----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:37:34]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 36 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.144478642696027 0.000000000000000 0.000000000000000 b 0.000000000000000 4.184194200000000 0.000000000000000 c -2.071826753544663 0.000000000000000 5.319088683578939 Atomic positions (fractional): *1 Rb 0.86184736931004 0.24167347795457 0.72377245854702 85.468 2 Rb 0.13815263068996 0.74167347795457 0.27622754145298 85.468 *3 H 0.52841946837914 0.09327806493770 0.05680059253428 1.008 4 H 0.47158053162086 0.59327806493770 0.94319940746572 1.008 *5 O 0.59284108121705 0.26701144710774 0.18548216088463 15.999 6 O 0.40715891878295 0.76701144710773 0.81451783911537 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.144478642696027 0.000000000000000 0.000000000000000 b 0.000000000000000 4.184194200000000 0.000000000000000 c -2.071826753544663 0.000000000000000 5.319088683578939 Atomic positions (fractional): *1 Rb 0.86184736931004 0.24167347795457 0.72377245854702 85.468 > 1 2 Rb 0.13815263068996 0.74167347795457 0.27622754145298 85.468 > 2 *3 H 0.52841946837914 0.09327806493770 0.05680059253428 1.008 > 3 4 H 0.47158053162086 0.59327806493770 0.94319940746572 1.008 > 4 *5 O 0.59284108121705 0.26701144710774 0.18548216088463 15.999 > 5 6 O 0.40715891878295 0.76701144710773 0.81451783911537 15.999 > 6 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.433435928088082 0.000000000000000 0.000000000000000 b 0.000000000000000 12.552582600000001 0.000000000000000 c -4.143653507089326 0.000000000000000 10.638177367157878 Atomic positions (fractional): *1 Rb 0.28728245643668 0.08055782598486 0.36188622927351 85.468 > 1 2 Rb 0.62061578977001 0.08055782598486 0.36188622927351 85.468 > 1 3 Rb 0.95394912310335 0.08055782598486 0.36188622927351 85.468 > 1 4 Rb 0.28728245643668 0.41389115931819 0.36188622927351 85.468 > 1 5 Rb 0.62061578977001 0.41389115931819 0.36188622927351 85.468 > 1 6 Rb 0.95394912310335 0.41389115931819 0.36188622927351 85.468 > 1 7 Rb 0.28728245643668 0.74722449265152 0.36188622927351 85.468 > 1 8 Rb 0.62061578977001 0.74722449265152 0.36188622927351 85.468 > 1 9 Rb 0.95394912310335 0.74722449265152 0.36188622927351 85.468 > 1 10 Rb 0.28728245643668 0.08055782598486 0.86188622927351 85.468 > 1 11 Rb 0.62061578977001 0.08055782598486 0.86188622927351 85.468 > 1 12 Rb 0.95394912310335 0.08055782598486 0.86188622927351 85.468 > 1 13 Rb 0.28728245643668 0.41389115931819 0.86188622927351 85.468 > 1 14 Rb 0.62061578977001 0.41389115931819 0.86188622927351 85.468 > 1 15 Rb 0.95394912310335 0.41389115931819 0.86188622927351 85.468 > 1 16 Rb 0.28728245643668 0.74722449265152 0.86188622927351 85.468 > 1 17 Rb 0.62061578977001 0.74722449265152 0.86188622927351 85.468 > 1 18 Rb 0.95394912310335 0.74722449265152 0.86188622927351 85.468 > 1 19 Rb 0.04605087689665 0.24722449265152 0.13811377072649 85.468 > 2 20 Rb 0.37938421022999 0.24722449265152 0.13811377072649 85.468 > 2 21 Rb 0.71271754356332 0.24722449265152 0.13811377072649 85.468 > 2 22 Rb 0.04605087689665 0.58055782598486 0.13811377072649 85.468 > 2 23 Rb 0.37938421022999 0.58055782598486 0.13811377072649 85.468 > 2 24 Rb 0.71271754356332 0.58055782598486 0.13811377072649 85.468 > 2 25 Rb 0.04605087689665 0.91389115931819 0.13811377072649 85.468 > 2 26 Rb 0.37938421022999 0.91389115931819 0.13811377072649 85.468 > 2 27 Rb 0.71271754356332 0.91389115931819 0.13811377072649 85.468 > 2 28 Rb 0.04605087689665 0.24722449265152 0.63811377072649 85.468 > 2 29 Rb 0.37938421022999 0.24722449265152 0.63811377072649 85.468 > 2 30 Rb 0.71271754356332 0.24722449265152 0.63811377072649 85.468 > 2 31 Rb 0.04605087689665 0.58055782598486 0.63811377072649 85.468 > 2 32 Rb 0.37938421022999 0.58055782598486 0.63811377072649 85.468 > 2 33 Rb 0.71271754356332 0.58055782598486 0.63811377072649 85.468 > 2 34 Rb 0.04605087689665 0.91389115931819 0.63811377072649 85.468 > 2 35 Rb 0.37938421022999 0.91389115931819 0.63811377072649 85.468 > 2 36 Rb 0.71271754356332 0.91389115931819 0.63811377072649 85.468 > 2 *37 H 0.17613982279305 0.03109268831257 0.02840029626714 1.008 > 3 38 H 0.50947315612638 0.03109268831257 0.02840029626714 1.008 > 3 39 H 0.84280648945971 0.03109268831257 0.02840029626714 1.008 > 3 40 H 0.17613982279305 0.36442602164590 0.02840029626714 1.008 > 3 41 H 0.50947315612638 0.36442602164590 0.02840029626714 1.008 > 3 42 H 0.84280648945971 0.36442602164590 0.02840029626714 1.008 > 3 43 H 0.17613982279305 0.69775935497923 0.02840029626714 1.008 > 3 44 H 0.50947315612638 0.69775935497923 0.02840029626714 1.008 > 3 45 H 0.84280648945971 0.69775935497923 0.02840029626714 1.008 > 3 46 H 0.17613982279305 0.03109268831257 0.52840029626714 1.008 > 3 47 H 0.50947315612638 0.03109268831257 0.52840029626714 1.008 > 3 48 H 0.84280648945971 0.03109268831257 0.52840029626714 1.008 > 3 49 H 0.17613982279305 0.36442602164590 0.52840029626714 1.008 > 3 50 H 0.50947315612638 0.36442602164590 0.52840029626714 1.008 > 3 51 H 0.84280648945971 0.36442602164590 0.52840029626714 1.008 > 3 52 H 0.17613982279305 0.69775935497923 0.52840029626714 1.008 > 3 53 H 0.50947315612638 0.69775935497923 0.52840029626714 1.008 > 3 54 H 0.84280648945971 0.69775935497923 0.52840029626714 1.008 > 3 55 H 0.15719351054029 0.19775935497923 0.47159970373286 1.008 > 4 56 H 0.49052684387362 0.19775935497923 0.47159970373286 1.008 > 4 57 H 0.82386017720695 0.19775935497923 0.47159970373286 1.008 > 4 58 H 0.15719351054029 0.53109268831257 0.47159970373286 1.008 > 4 59 H 0.49052684387362 0.53109268831257 0.47159970373286 1.008 > 4 60 H 0.82386017720695 0.53109268831257 0.47159970373286 1.008 > 4 61 H 0.15719351054029 0.86442602164590 0.47159970373286 1.008 > 4 62 H 0.49052684387362 0.86442602164590 0.47159970373286 1.008 > 4 63 H 0.82386017720695 0.86442602164590 0.47159970373286 1.008 > 4 64 H 0.15719351054029 0.19775935497923 0.97159970373286 1.008 > 4 65 H 0.49052684387362 0.19775935497923 0.97159970373286 1.008 > 4 66 H 0.82386017720695 0.19775935497923 0.97159970373286 1.008 > 4 67 H 0.15719351054029 0.53109268831257 0.97159970373286 1.008 > 4 68 H 0.49052684387362 0.53109268831257 0.97159970373286 1.008 > 4 69 H 0.82386017720695 0.53109268831257 0.97159970373286 1.008 > 4 70 H 0.15719351054029 0.86442602164590 0.97159970373286 1.008 > 4 71 H 0.49052684387362 0.86442602164590 0.97159970373286 1.008 > 4 72 H 0.82386017720695 0.86442602164590 0.97159970373286 1.008 > 4 *73 O 0.19761369373902 0.08900381570258 0.09274108044231 15.999 > 5 74 O 0.53094702707235 0.08900381570258 0.09274108044231 15.999 > 5 75 O 0.86428036040568 0.08900381570258 0.09274108044231 15.999 > 5 76 O 0.19761369373902 0.42233714903591 0.09274108044231 15.999 > 5 77 O 0.53094702707235 0.42233714903591 0.09274108044231 15.999 > 5 78 O 0.86428036040568 0.42233714903591 0.09274108044231 15.999 > 5 79 O 0.19761369373902 0.75567048236924 0.09274108044231 15.999 > 5 80 O 0.53094702707235 0.75567048236924 0.09274108044231 15.999 > 5 81 O 0.86428036040568 0.75567048236924 0.09274108044231 15.999 > 5 82 O 0.19761369373902 0.08900381570258 0.59274108044231 15.999 > 5 83 O 0.53094702707235 0.08900381570258 0.59274108044231 15.999 > 5 84 O 0.86428036040568 0.08900381570258 0.59274108044231 15.999 > 5 85 O 0.19761369373902 0.42233714903591 0.59274108044231 15.999 > 5 86 O 0.53094702707235 0.42233714903591 0.59274108044231 15.999 > 5 87 O 0.86428036040568 0.42233714903591 0.59274108044231 15.999 > 5 88 O 0.19761369373902 0.75567048236924 0.59274108044231 15.999 > 5 89 O 0.53094702707235 0.75567048236924 0.59274108044231 15.999 > 5 90 O 0.86428036040568 0.75567048236924 0.59274108044231 15.999 > 5 91 O 0.13571963959432 0.25567048236924 0.40725891955769 15.999 > 6 92 O 0.46905297292765 0.25567048236924 0.40725891955769 15.999 > 6 93 O 0.80238630626098 0.25567048236924 0.40725891955769 15.999 > 6 94 O 0.13571963959432 0.58900381570258 0.40725891955769 15.999 > 6 95 O 0.46905297292765 0.58900381570258 0.40725891955769 15.999 > 6 96 O 0.80238630626098 0.58900381570258 0.40725891955769 15.999 > 6 97 O 0.13571963959432 0.92233714903591 0.40725891955769 15.999 > 6 98 O 0.46905297292765 0.92233714903591 0.40725891955769 15.999 > 6 99 O 0.80238630626098 0.92233714903591 0.40725891955769 15.999 > 6 100 O 0.13571963959432 0.25567048236924 0.90725891955769 15.999 > 6 101 O 0.46905297292765 0.25567048236924 0.90725891955769 15.999 > 6 102 O 0.80238630626098 0.25567048236924 0.90725891955769 15.999 > 6 103 O 0.13571963959432 0.58900381570258 0.90725891955769 15.999 > 6 104 O 0.46905297292765 0.58900381570258 0.90725891955769 15.999 > 6 105 O 0.80238630626098 0.58900381570258 0.90725891955769 15.999 > 6 106 O 0.13571963959432 0.92233714903591 0.90725891955769 15.999 > 6 107 O 0.46905297292765 0.92233714903591 0.90725891955769 15.999 > 6 108 O 0.80238630626098 0.92233714903591 0.90725891955769 15.999 > 6 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7208011 0.0000000 -0.0001140 0.0000000 2.7479018 0.0000000 -0.0001141 0.0000000 2.7130648 -------------------------- Born effective charges -------------------------- 1 Rb 1.2245858 -0.0000398 -0.0000476 -0.0000454 1.1843108 -0.0053126 -0.0000593 -0.0370611 1.2056792 2 Rb 1.2245858 0.0000398 -0.0000476 0.0000454 1.1843108 0.0053126 -0.0000593 0.0370611 1.2056792 3 H 0.2151775 0.0001682 0.0001067 0.0001909 0.6626132 0.3682868 0.0001224 0.3431236 0.4483306 4 H 0.2151775 -0.0001682 0.0001067 -0.0001909 0.6626132 -0.3682868 0.0001224 -0.3431236 0.4483306 5 O -1.4397633 -0.0000054 -0.0000591 -0.0000064 -1.8469240 -0.0002690 -0.0000632 -0.0188846 -1.6540097 6 O -1.4397633 0.0000054 -0.0000591 0.0000064 -1.8469240 0.0002690 -0.0000632 0.0188846 -1.6540097 ---------------------------------------------------------------------------- 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: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1494 Number of blocks in projector: 1494 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1494, 1468), data: False |-- (174, 171), data: True |-- (174, 171), data: True |-- (174, 171), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 319), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 400 - Time: 1.949 Solver_block: 200 / 400 - Time: 1.961 Solver_block: 300 / 400 - Time: 1.957 Solver_block: 400 / 400 - Time: 1.959 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.863 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 324/324 Permutation basis: 3366/3366 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1494 Number of blocks in projector: 1494 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 174 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 174 Use standard eigh solver. Tree of FC basis block matrices: - (1494, 1468), data: False |-- (174, 171), data: True |-- (174, 171), data: True |-- (174, 171), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 319), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:37:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:37:59]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.144478642696027 0.000000000000000 0.000000000000000 b 0.000000000000000 4.184194200000000 0.000000000000000 c -2.071826753544663 0.000000000000000 5.319088683578939 Atomic positions (fractional): 1 Rb 0.86184736931004 0.24167347795457 0.72377245854702 85.468 2 Rb 0.13815263068996 0.74167347795457 0.27622754145298 85.468 3 H 0.52841946837914 0.09327806493770 0.05680059253428 1.008 4 H 0.47158053162086 0.59327806493770 0.94319940746572 1.008 5 O 0.59284108121705 0.26701144710774 0.18548216088463 15.999 6 O 0.40715891878295 0.76701144710773 0.81451783911537 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.433435928088082 0.000000000000000 0.000000000000000 b 0.000000000000000 12.552582600000001 0.000000000000000 c -4.143653507089326 0.000000000000000 10.638177367157878 Atomic positions (fractional): 1 Rb 0.28728245643668 0.08055782598486 0.36188622927351 85.468 > 1 2 Rb 0.62061578977001 0.08055782598486 0.36188622927351 85.468 > 1 3 Rb 0.95394912310335 0.08055782598486 0.36188622927351 85.468 > 1 4 Rb 0.28728245643668 0.41389115931819 0.36188622927351 85.468 > 1 5 Rb 0.62061578977001 0.41389115931819 0.36188622927351 85.468 > 1 6 Rb 0.95394912310335 0.41389115931819 0.36188622927351 85.468 > 1 7 Rb 0.28728245643668 0.74722449265152 0.36188622927351 85.468 > 1 8 Rb 0.62061578977001 0.74722449265152 0.36188622927351 85.468 > 1 9 Rb 0.95394912310335 0.74722449265152 0.36188622927351 85.468 > 1 10 Rb 0.28728245643668 0.08055782598486 0.86188622927351 85.468 > 1 11 Rb 0.62061578977001 0.08055782598486 0.86188622927351 85.468 > 1 12 Rb 0.95394912310335 0.08055782598486 0.86188622927351 85.468 > 1 13 Rb 0.28728245643668 0.41389115931819 0.86188622927351 85.468 > 1 14 Rb 0.62061578977001 0.41389115931819 0.86188622927351 85.468 > 1 15 Rb 0.95394912310335 0.41389115931819 0.86188622927351 85.468 > 1 16 Rb 0.28728245643668 0.74722449265152 0.86188622927351 85.468 > 1 17 Rb 0.62061578977001 0.74722449265152 0.86188622927351 85.468 > 1 18 Rb 0.95394912310335 0.74722449265152 0.86188622927351 85.468 > 1 19 Rb 0.04605087689665 0.24722449265152 0.13811377072649 85.468 > 19 20 Rb 0.37938421022999 0.24722449265152 0.13811377072649 85.468 > 19 21 Rb 0.71271754356332 0.24722449265152 0.13811377072649 85.468 > 19 22 Rb 0.04605087689665 0.58055782598486 0.13811377072649 85.468 > 19 23 Rb 0.37938421022999 0.58055782598486 0.13811377072649 85.468 > 19 24 Rb 0.71271754356332 0.58055782598486 0.13811377072649 85.468 > 19 25 Rb 0.04605087689665 0.91389115931819 0.13811377072649 85.468 > 19 26 Rb 0.37938421022999 0.91389115931819 0.13811377072649 85.468 > 19 27 Rb 0.71271754356332 0.91389115931819 0.13811377072649 85.468 > 19 28 Rb 0.04605087689665 0.24722449265152 0.63811377072649 85.468 > 19 29 Rb 0.37938421022999 0.24722449265152 0.63811377072649 85.468 > 19 30 Rb 0.71271754356332 0.24722449265152 0.63811377072649 85.468 > 19 31 Rb 0.04605087689665 0.58055782598486 0.63811377072649 85.468 > 19 32 Rb 0.37938421022999 0.58055782598486 0.63811377072649 85.468 > 19 33 Rb 0.71271754356332 0.58055782598486 0.63811377072649 85.468 > 19 34 Rb 0.04605087689665 0.91389115931819 0.63811377072649 85.468 > 19 35 Rb 0.37938421022999 0.91389115931819 0.63811377072649 85.468 > 19 36 Rb 0.71271754356332 0.91389115931819 0.63811377072649 85.468 > 19 37 H 0.17613982279305 0.03109268831257 0.02840029626714 1.008 > 37 38 H 0.50947315612638 0.03109268831257 0.02840029626714 1.008 > 37 39 H 0.84280648945971 0.03109268831257 0.02840029626714 1.008 > 37 40 H 0.17613982279305 0.36442602164590 0.02840029626714 1.008 > 37 41 H 0.50947315612638 0.36442602164590 0.02840029626714 1.008 > 37 42 H 0.84280648945971 0.36442602164590 0.02840029626714 1.008 > 37 43 H 0.17613982279305 0.69775935497923 0.02840029626714 1.008 > 37 44 H 0.50947315612638 0.69775935497923 0.02840029626714 1.008 > 37 45 H 0.84280648945971 0.69775935497923 0.02840029626714 1.008 > 37 46 H 0.17613982279305 0.03109268831257 0.52840029626714 1.008 > 37 47 H 0.50947315612638 0.03109268831257 0.52840029626714 1.008 > 37 48 H 0.84280648945971 0.03109268831257 0.52840029626714 1.008 > 37 49 H 0.17613982279305 0.36442602164590 0.52840029626714 1.008 > 37 50 H 0.50947315612638 0.36442602164590 0.52840029626714 1.008 > 37 51 H 0.84280648945971 0.36442602164590 0.52840029626714 1.008 > 37 52 H 0.17613982279305 0.69775935497923 0.52840029626714 1.008 > 37 53 H 0.50947315612638 0.69775935497923 0.52840029626714 1.008 > 37 54 H 0.84280648945971 0.69775935497923 0.52840029626714 1.008 > 37 55 H 0.15719351054029 0.19775935497923 0.47159970373286 1.008 > 55 56 H 0.49052684387362 0.19775935497923 0.47159970373286 1.008 > 55 57 H 0.82386017720695 0.19775935497923 0.47159970373286 1.008 > 55 58 H 0.15719351054029 0.53109268831257 0.47159970373286 1.008 > 55 59 H 0.49052684387362 0.53109268831257 0.47159970373286 1.008 > 55 60 H 0.82386017720695 0.53109268831257 0.47159970373286 1.008 > 55 61 H 0.15719351054029 0.86442602164590 0.47159970373286 1.008 > 55 62 H 0.49052684387362 0.86442602164590 0.47159970373286 1.008 > 55 63 H 0.82386017720695 0.86442602164590 0.47159970373286 1.008 > 55 64 H 0.15719351054029 0.19775935497923 0.97159970373286 1.008 > 55 65 H 0.49052684387362 0.19775935497923 0.97159970373286 1.008 > 55 66 H 0.82386017720695 0.19775935497923 0.97159970373286 1.008 > 55 67 H 0.15719351054029 0.53109268831257 0.97159970373286 1.008 > 55 68 H 0.49052684387362 0.53109268831257 0.97159970373286 1.008 > 55 69 H 0.82386017720695 0.53109268831257 0.97159970373286 1.008 > 55 70 H 0.15719351054029 0.86442602164590 0.97159970373286 1.008 > 55 71 H 0.49052684387362 0.86442602164590 0.97159970373286 1.008 > 55 72 H 0.82386017720695 0.86442602164590 0.97159970373286 1.008 > 55 73 O 0.19761369373902 0.08900381570258 0.09274108044231 15.999 > 73 74 O 0.53094702707235 0.08900381570258 0.09274108044231 15.999 > 73 75 O 0.86428036040568 0.08900381570258 0.09274108044231 15.999 > 73 76 O 0.19761369373902 0.42233714903591 0.09274108044231 15.999 > 73 77 O 0.53094702707235 0.42233714903591 0.09274108044231 15.999 > 73 78 O 0.86428036040568 0.42233714903591 0.09274108044231 15.999 > 73 79 O 0.19761369373902 0.75567048236924 0.09274108044231 15.999 > 73 80 O 0.53094702707235 0.75567048236924 0.09274108044231 15.999 > 73 81 O 0.86428036040568 0.75567048236924 0.09274108044231 15.999 > 73 82 O 0.19761369373902 0.08900381570258 0.59274108044231 15.999 > 73 83 O 0.53094702707235 0.08900381570258 0.59274108044231 15.999 > 73 84 O 0.86428036040568 0.08900381570258 0.59274108044231 15.999 > 73 85 O 0.19761369373902 0.42233714903591 0.59274108044231 15.999 > 73 86 O 0.53094702707235 0.42233714903591 0.59274108044231 15.999 > 73 87 O 0.86428036040568 0.42233714903591 0.59274108044231 15.999 > 73 88 O 0.19761369373902 0.75567048236924 0.59274108044231 15.999 > 73 89 O 0.53094702707235 0.75567048236924 0.59274108044231 15.999 > 73 90 O 0.86428036040568 0.75567048236924 0.59274108044231 15.999 > 73 91 O 0.13571963959432 0.25567048236924 0.40725891955769 15.999 > 91 92 O 0.46905297292765 0.25567048236924 0.40725891955769 15.999 > 91 93 O 0.80238630626098 0.25567048236924 0.40725891955769 15.999 > 91 94 O 0.13571963959432 0.58900381570258 0.40725891955769 15.999 > 91 95 O 0.46905297292765 0.58900381570258 0.40725891955769 15.999 > 91 96 O 0.80238630626098 0.58900381570258 0.40725891955769 15.999 > 91 97 O 0.13571963959432 0.92233714903591 0.40725891955769 15.999 > 91 98 O 0.46905297292765 0.92233714903591 0.40725891955769 15.999 > 91 99 O 0.80238630626098 0.92233714903591 0.40725891955769 15.999 > 91 100 O 0.13571963959432 0.25567048236924 0.90725891955769 15.999 > 91 101 O 0.46905297292765 0.25567048236924 0.90725891955769 15.999 > 91 102 O 0.80238630626098 0.25567048236924 0.90725891955769 15.999 > 91 103 O 0.13571963959432 0.58900381570258 0.90725891955769 15.999 > 91 104 O 0.46905297292765 0.58900381570258 0.90725891955769 15.999 > 91 105 O 0.80238630626098 0.58900381570258 0.90725891955769 15.999 > 91 106 O 0.13571963959432 0.92233714903591 0.90725891955769 15.999 > 91 107 O 0.46905297292765 0.92233714903591 0.90725891955769 15.999 > 91 108 O 0.80238630626098 0.92233714903591 0.90725891955769 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7208011 0.0000000 -0.0001140 0.0000000 2.7479018 0.0000000 -0.0001141 0.0000000 2.7130648 -------------------------- Born effective charges -------------------------- 1 Rb 1.2245858 -0.0000398 -0.0000476 -0.0000454 1.1843108 -0.0053126 -0.0000593 -0.0370611 1.2056792 2 Rb 1.2245858 0.0000398 -0.0000476 0.0000454 1.1843108 0.0053126 -0.0000593 0.0370611 1.2056792 3 H 0.2151775 0.0001682 0.0001067 0.0001909 0.6626132 0.3682868 0.0001224 0.3431236 0.4483306 4 H 0.2151775 -0.0001682 0.0001067 -0.0001909 0.6626132 -0.3682868 0.0001224 -0.3431236 0.4483306 5 O -1.4397633 -0.0000054 -0.0000591 -0.0000064 -1.8469240 -0.0002690 -0.0000632 -0.0188846 -1.6540097 6 O -1.4397633 0.0000054 -0.0000591 0.0000064 -1.8469240 0.0002690 -0.0000632 0.0188846 -1.6540097 ---------------------------------------------------------------------------- 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:38:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:38:11]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.144478642696027 0.000000000000000 0.000000000000000 b 0.000000000000000 4.184194200000000 0.000000000000000 c -2.071826753544663 0.000000000000000 5.319088683578939 Atomic positions (fractional): 1 Rb 0.86184736931004 0.24167347795457 0.72377245854702 85.468 2 Rb 0.13815263068996 0.74167347795457 0.27622754145298 85.468 3 H 0.52841946837914 0.09327806493770 0.05680059253428 1.008 4 H 0.47158053162086 0.59327806493770 0.94319940746572 1.008 5 O 0.59284108121705 0.26701144710774 0.18548216088463 15.999 6 O 0.40715891878295 0.76701144710773 0.81451783911537 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.433435928088082 0.000000000000000 0.000000000000000 b 0.000000000000000 12.552582600000001 0.000000000000000 c -4.143653507089326 0.000000000000000 10.638177367157878 Atomic positions (fractional): 1 Rb 0.28728245643668 0.08055782598486 0.36188622927351 85.468 > 1 2 Rb 0.62061578977001 0.08055782598486 0.36188622927351 85.468 > 1 3 Rb 0.95394912310335 0.08055782598486 0.36188622927351 85.468 > 1 4 Rb 0.28728245643668 0.41389115931819 0.36188622927351 85.468 > 1 5 Rb 0.62061578977001 0.41389115931819 0.36188622927351 85.468 > 1 6 Rb 0.95394912310335 0.41389115931819 0.36188622927351 85.468 > 1 7 Rb 0.28728245643668 0.74722449265152 0.36188622927351 85.468 > 1 8 Rb 0.62061578977001 0.74722449265152 0.36188622927351 85.468 > 1 9 Rb 0.95394912310335 0.74722449265152 0.36188622927351 85.468 > 1 10 Rb 0.28728245643668 0.08055782598486 0.86188622927351 85.468 > 1 11 Rb 0.62061578977001 0.08055782598486 0.86188622927351 85.468 > 1 12 Rb 0.95394912310335 0.08055782598486 0.86188622927351 85.468 > 1 13 Rb 0.28728245643668 0.41389115931819 0.86188622927351 85.468 > 1 14 Rb 0.62061578977001 0.41389115931819 0.86188622927351 85.468 > 1 15 Rb 0.95394912310335 0.41389115931819 0.86188622927351 85.468 > 1 16 Rb 0.28728245643668 0.74722449265152 0.86188622927351 85.468 > 1 17 Rb 0.62061578977001 0.74722449265152 0.86188622927351 85.468 > 1 18 Rb 0.95394912310335 0.74722449265152 0.86188622927351 85.468 > 1 19 Rb 0.04605087689665 0.24722449265152 0.13811377072649 85.468 > 19 20 Rb 0.37938421022999 0.24722449265152 0.13811377072649 85.468 > 19 21 Rb 0.71271754356332 0.24722449265152 0.13811377072649 85.468 > 19 22 Rb 0.04605087689665 0.58055782598486 0.13811377072649 85.468 > 19 23 Rb 0.37938421022999 0.58055782598486 0.13811377072649 85.468 > 19 24 Rb 0.71271754356332 0.58055782598486 0.13811377072649 85.468 > 19 25 Rb 0.04605087689665 0.91389115931819 0.13811377072649 85.468 > 19 26 Rb 0.37938421022999 0.91389115931819 0.13811377072649 85.468 > 19 27 Rb 0.71271754356332 0.91389115931819 0.13811377072649 85.468 > 19 28 Rb 0.04605087689665 0.24722449265152 0.63811377072649 85.468 > 19 29 Rb 0.37938421022999 0.24722449265152 0.63811377072649 85.468 > 19 30 Rb 0.71271754356332 0.24722449265152 0.63811377072649 85.468 > 19 31 Rb 0.04605087689665 0.58055782598486 0.63811377072649 85.468 > 19 32 Rb 0.37938421022999 0.58055782598486 0.63811377072649 85.468 > 19 33 Rb 0.71271754356332 0.58055782598486 0.63811377072649 85.468 > 19 34 Rb 0.04605087689665 0.91389115931819 0.63811377072649 85.468 > 19 35 Rb 0.37938421022999 0.91389115931819 0.63811377072649 85.468 > 19 36 Rb 0.71271754356332 0.91389115931819 0.63811377072649 85.468 > 19 37 H 0.17613982279305 0.03109268831257 0.02840029626714 1.008 > 37 38 H 0.50947315612638 0.03109268831257 0.02840029626714 1.008 > 37 39 H 0.84280648945971 0.03109268831257 0.02840029626714 1.008 > 37 40 H 0.17613982279305 0.36442602164590 0.02840029626714 1.008 > 37 41 H 0.50947315612638 0.36442602164590 0.02840029626714 1.008 > 37 42 H 0.84280648945971 0.36442602164590 0.02840029626714 1.008 > 37 43 H 0.17613982279305 0.69775935497923 0.02840029626714 1.008 > 37 44 H 0.50947315612638 0.69775935497923 0.02840029626714 1.008 > 37 45 H 0.84280648945971 0.69775935497923 0.02840029626714 1.008 > 37 46 H 0.17613982279305 0.03109268831257 0.52840029626714 1.008 > 37 47 H 0.50947315612638 0.03109268831257 0.52840029626714 1.008 > 37 48 H 0.84280648945971 0.03109268831257 0.52840029626714 1.008 > 37 49 H 0.17613982279305 0.36442602164590 0.52840029626714 1.008 > 37 50 H 0.50947315612638 0.36442602164590 0.52840029626714 1.008 > 37 51 H 0.84280648945971 0.36442602164590 0.52840029626714 1.008 > 37 52 H 0.17613982279305 0.69775935497923 0.52840029626714 1.008 > 37 53 H 0.50947315612638 0.69775935497923 0.52840029626714 1.008 > 37 54 H 0.84280648945971 0.69775935497923 0.52840029626714 1.008 > 37 55 H 0.15719351054029 0.19775935497923 0.47159970373286 1.008 > 55 56 H 0.49052684387362 0.19775935497923 0.47159970373286 1.008 > 55 57 H 0.82386017720695 0.19775935497923 0.47159970373286 1.008 > 55 58 H 0.15719351054029 0.53109268831257 0.47159970373286 1.008 > 55 59 H 0.49052684387362 0.53109268831257 0.47159970373286 1.008 > 55 60 H 0.82386017720695 0.53109268831257 0.47159970373286 1.008 > 55 61 H 0.15719351054029 0.86442602164590 0.47159970373286 1.008 > 55 62 H 0.49052684387362 0.86442602164590 0.47159970373286 1.008 > 55 63 H 0.82386017720695 0.86442602164590 0.47159970373286 1.008 > 55 64 H 0.15719351054029 0.19775935497923 0.97159970373286 1.008 > 55 65 H 0.49052684387362 0.19775935497923 0.97159970373286 1.008 > 55 66 H 0.82386017720695 0.19775935497923 0.97159970373286 1.008 > 55 67 H 0.15719351054029 0.53109268831257 0.97159970373286 1.008 > 55 68 H 0.49052684387362 0.53109268831257 0.97159970373286 1.008 > 55 69 H 0.82386017720695 0.53109268831257 0.97159970373286 1.008 > 55 70 H 0.15719351054029 0.86442602164590 0.97159970373286 1.008 > 55 71 H 0.49052684387362 0.86442602164590 0.97159970373286 1.008 > 55 72 H 0.82386017720695 0.86442602164590 0.97159970373286 1.008 > 55 73 O 0.19761369373902 0.08900381570258 0.09274108044231 15.999 > 73 74 O 0.53094702707235 0.08900381570258 0.09274108044231 15.999 > 73 75 O 0.86428036040568 0.08900381570258 0.09274108044231 15.999 > 73 76 O 0.19761369373902 0.42233714903591 0.09274108044231 15.999 > 73 77 O 0.53094702707235 0.42233714903591 0.09274108044231 15.999 > 73 78 O 0.86428036040568 0.42233714903591 0.09274108044231 15.999 > 73 79 O 0.19761369373902 0.75567048236924 0.09274108044231 15.999 > 73 80 O 0.53094702707235 0.75567048236924 0.09274108044231 15.999 > 73 81 O 0.86428036040568 0.75567048236924 0.09274108044231 15.999 > 73 82 O 0.19761369373902 0.08900381570258 0.59274108044231 15.999 > 73 83 O 0.53094702707235 0.08900381570258 0.59274108044231 15.999 > 73 84 O 0.86428036040568 0.08900381570258 0.59274108044231 15.999 > 73 85 O 0.19761369373902 0.42233714903591 0.59274108044231 15.999 > 73 86 O 0.53094702707235 0.42233714903591 0.59274108044231 15.999 > 73 87 O 0.86428036040568 0.42233714903591 0.59274108044231 15.999 > 73 88 O 0.19761369373902 0.75567048236924 0.59274108044231 15.999 > 73 89 O 0.53094702707235 0.75567048236924 0.59274108044231 15.999 > 73 90 O 0.86428036040568 0.75567048236924 0.59274108044231 15.999 > 73 91 O 0.13571963959432 0.25567048236924 0.40725891955769 15.999 > 91 92 O 0.46905297292765 0.25567048236924 0.40725891955769 15.999 > 91 93 O 0.80238630626098 0.25567048236924 0.40725891955769 15.999 > 91 94 O 0.13571963959432 0.58900381570258 0.40725891955769 15.999 > 91 95 O 0.46905297292765 0.58900381570258 0.40725891955769 15.999 > 91 96 O 0.80238630626098 0.58900381570258 0.40725891955769 15.999 > 91 97 O 0.13571963959432 0.92233714903591 0.40725891955769 15.999 > 91 98 O 0.46905297292765 0.92233714903591 0.40725891955769 15.999 > 91 99 O 0.80238630626098 0.92233714903591 0.40725891955769 15.999 > 91 100 O 0.13571963959432 0.25567048236924 0.90725891955769 15.999 > 91 101 O 0.46905297292765 0.25567048236924 0.90725891955769 15.999 > 91 102 O 0.80238630626098 0.25567048236924 0.90725891955769 15.999 > 91 103 O 0.13571963959432 0.58900381570258 0.90725891955769 15.999 > 91 104 O 0.46905297292765 0.58900381570258 0.90725891955769 15.999 > 91 105 O 0.80238630626098 0.58900381570258 0.90725891955769 15.999 > 91 106 O 0.13571963959432 0.92233714903591 0.90725891955769 15.999 > 91 107 O 0.46905297292765 0.92233714903591 0.90725891955769 15.999 > 91 108 O 0.80238630626098 0.92233714903591 0.90725891955769 15.999 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7208011 0.0000000 -0.0001140 0.0000000 2.7479018 0.0000000 -0.0001141 0.0000000 2.7130648 -------------------------- Born effective charges -------------------------- 1 Rb 1.2245858 -0.0000398 -0.0000476 -0.0000454 1.1843108 -0.0053126 -0.0000593 -0.0370611 1.2056792 2 Rb 1.2245858 0.0000398 -0.0000476 0.0000454 1.1843108 0.0053126 -0.0000593 0.0370611 1.2056792 3 H 0.2151775 0.0001682 0.0001067 0.0001909 0.6626132 0.3682868 0.0001224 0.3431236 0.4483306 4 H 0.2151775 -0.0001682 0.0001067 -0.0001909 0.6626132 -0.3682868 0.0001224 -0.3431236 0.4483306 5 O -1.4397633 -0.0000054 -0.0000591 -0.0000064 -1.8469240 -0.0002690 -0.0000632 -0.0188846 -1.6540097 6 O -1.4397633 0.0000054 -0.0000591 0.0000064 -1.8469240 0.0002690 -0.0000632 0.0188846 -1.6540097 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 12 9 ] 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: 0.92, Number of G-points: 313, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/413) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.083 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 3.301 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.548 ( 0.000 0.000 0.000) 0.000 6.372 ( 0.000 0.000 0.000) 0.000 7.553 ( 0.000 0.000 0.000) 0.000 24.214 ( 0.000 0.000 0.000) 0.000 27.120 ( 0.000 0.000 0.000) 0.000 28.525 ( 0.000 0.000 0.000) 0.000 33.337 ( 0.000 0.000 0.000) 0.000 95.664 ( 0.000 0.000 0.000) 0.000 98.308 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/413) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 12.245 0.000 17.169) 21.088 0.457 ( 21.061 0.000 7.187) 22.253 0.707 ( 35.284 0.000 6.686) 35.912 2.161 ( 7.585 0.000 -0.840) 7.631 2.482 ( -0.916 0.000 -1.155) 1.474 3.265 ( -2.828 0.000 -2.636) 3.866 3.689 ( 12.074 0.000 1.041) 12.119 4.081 ( 1.329 0.000 0.215) 1.346 4.563 ( 1.709 0.000 -0.501) 1.781 6.369 ( -0.963 0.000 1.798) 2.040 7.474 ( 7.646 0.000 -18.946) 20.430 8.002 ( -7.351 0.000 12.029) 14.097 24.214 ( -0.170 0.000 0.298) 0.343 27.123 ( 0.145 0.000 0.206) 0.251 28.910 ( 6.088 0.000 -13.958) 15.228 33.316 ( -4.772 0.000 2.834) 5.550 95.664 ( 0.069 0.000 -0.044) 0.081 98.381 ( -9.603 0.000 20.695) 22.815 ======================= Grid point 2 (3/413) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 12.815 0.000 16.243) 20.690 0.882 ( 19.160 0.000 6.711) 20.301 1.396 ( 33.493 0.000 6.147) 34.052 2.301 ( 7.261 0.000 -0.976) 7.327 2.447 ( -1.506 0.000 -2.011) 2.512 3.162 ( -5.141 0.000 -5.151) 7.278 4.021 ( 21.867 0.000 0.980) 21.889 4.119 ( 2.484 0.000 0.372) 2.512 4.597 ( 2.153 0.000 -0.329) 2.178 6.368 ( -0.983 0.000 3.585) 3.718 7.475 ( 4.314 0.000 -11.858) 12.618 7.933 ( -6.511 0.000 5.177) 8.318 24.212 ( -0.293 0.000 0.549) 0.622 27.129 ( 0.272 0.000 0.372) 0.461 28.927 ( 3.719 0.000 -6.615) 7.588 33.220 ( -6.818 0.000 0.744) 6.859 95.666 ( 0.122 0.000 -0.080) 0.146 98.341 ( -6.575 0.000 9.807) 11.807 ======================= Grid point 3 (4/413) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( 12.927 0.000 14.753) 19.615 1.257 ( 16.126 0.000 5.962) 17.193 2.008 ( 27.215 0.000 2.654) 27.344 2.399 ( -1.774 0.000 -2.352) 2.946 2.420 ( 6.548 0.000 1.890) 6.815 3.006 ( -6.773 0.000 -6.891) 9.662 4.175 ( 3.236 0.000 0.388) 3.259 4.443 ( 20.456 0.000 -4.846) 21.022 4.657 ( 5.755 0.000 4.811) 7.501 6.390 ( 0.138 0.000 4.807) 4.809 7.451 ( 1.706 0.000 -10.980) 11.111 7.848 ( -5.642 0.000 3.531) 6.656 24.211 ( -0.339 0.000 0.699) 0.777 27.138 ( 0.356 0.000 0.463) 0.584 28.951 ( 2.917 0.000 -4.001) 4.952 33.083 ( -7.916 0.000 -0.039) 7.916 95.668 ( 0.148 0.000 -0.100) 0.179 98.283 ( -5.645 0.000 5.857) 8.134 ======================= Grid point 4 (5/413) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( 12.288 0.000 12.765) 17.718 1.562 ( 12.419 0.000 4.935) 13.364 2.313 ( 6.696 0.000 -4.346) 7.983 2.345 ( -1.852 0.000 -2.523) 3.130 2.696 ( 18.363 0.000 8.103) 20.072 2.818 ( -7.583 0.000 -7.598) 10.734 4.241 ( 3.393 0.000 0.370) 3.413 4.561 ( 2.457 0.000 -6.099) 6.576 4.988 ( 19.033 0.000 5.669) 19.859 6.441 ( 1.553 0.000 4.633) 4.886 7.375 ( -1.503 0.000 -10.215) 10.325 7.787 ( -3.348 0.000 2.881) 4.417 24.210 ( -0.306 0.000 0.696) 0.760 27.148 ( 0.367 0.000 0.451) 0.581 28.976 ( 2.239 0.000 -2.530) 3.378 32.937 ( -7.399 0.000 -0.323) 7.406 95.670 ( 0.141 0.000 -0.098) 0.172 98.221 ( -4.606 0.000 3.589) 5.840 ======================= Grid point 5 (6/413) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 10.518 0.000 10.204) 14.654 1.787 ( 8.319 0.000 3.661) 9.089 2.287 ( -2.161 0.000 -2.140) 3.041 2.346 ( 1.042 0.000 -3.792) 3.932 2.627 ( -7.090 0.000 -6.538) 9.644 3.064 ( 14.226 0.000 5.372) 15.207 4.301 ( 2.724 0.000 0.292) 2.740 4.544 ( 0.091 0.000 -3.600) 3.601 5.329 ( 13.348 0.000 3.386) 13.771 6.506 ( 2.099 0.000 3.030) 3.686 7.266 ( -2.810 0.000 -7.307) 7.828 7.760 ( -1.513 0.000 1.794) 2.347 24.210 ( -0.209 0.000 0.516) 0.557 27.157 ( 0.280 0.000 0.329) 0.432 28.996 ( 1.432 0.000 -1.442) 2.032 32.815 ( -5.248 0.000 -0.308) 5.257 95.671 ( 0.101 0.000 -0.072) 0.124 98.168 ( -3.065 0.000 1.966) 3.641 ======================= Grid point 6 (7/413) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 5.671 0.000 4.888) 7.487 1.917 ( 3.177 0.000 2.054) 3.783 2.240 ( -1.267 0.000 -1.023) 1.628 2.314 ( -1.246 0.000 -3.061) 3.305 2.491 ( -3.002 0.000 -2.479) 3.893 3.273 ( 5.056 0.000 1.875) 5.393 4.340 ( 1.082 0.000 0.120) 1.088 4.524 ( -0.180 0.000 -1.222) 1.235 5.515 ( 4.662 0.000 1.218) 4.818 6.552 ( 1.046 0.000 0.974) 1.430 7.186 ( -1.387 0.000 -2.654) 2.995 7.751 ( -0.445 0.000 0.595) 0.743 24.210 ( -0.074 0.000 0.191) 0.205 27.162 ( 0.105 0.000 0.121) 0.160 29.007 ( 0.494 0.000 -0.473) 0.684 32.745 ( -1.896 0.000 -0.121) 1.900 95.672 ( 0.037 0.000 -0.027) 0.045 98.139 ( -1.079 0.000 0.627) 1.247 ======================= Grid point 13 (8/413) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 22.022 0.000) 22.022 0.457 ( 0.000 22.525 0.000) 22.525 0.669 ( 0.000 32.809 0.000) 32.809 2.121 ( 0.000 3.625 0.000) 3.625 2.522 ( 0.000 2.700 0.000) 2.700 3.276 ( 0.000 -2.715 0.000) 2.715 3.590 ( 0.000 1.687 0.000) 1.687 4.504 ( 0.000 -4.028 0.000) 4.028 4.537 ( 0.000 -0.197 0.000) 0.197 5.898 ( 0.000 1.958 0.000) 1.958 7.613 ( 0.000 5.697 0.000) 5.697 8.008 ( 0.000 -2.558 0.000) 2.558 24.726 ( 0.000 13.281 0.000) 13.281 27.140 ( 0.000 1.913 0.000) 1.913 28.499 ( 0.000 -2.560 0.000) 2.560 33.167 ( 0.000 -16.925 0.000) 16.925 96.818 ( 0.000 1.769 0.000) 1.769 98.269 ( 0.000 -3.859 0.000) 3.859 ======================= Grid point 14 (9/413) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 12.053 12.913 1.123) 17.700 0.555 ( 7.730 16.059 12.057) 21.518 1.029 ( 25.352 23.411 6.187) 35.058 2.188 ( 6.559 2.526 -1.043) 7.105 2.511 ( -0.900 2.787 -0.852) 3.050 3.238 ( -2.689 -2.674 -3.110) 4.904 3.703 ( 11.854 1.459 0.845) 11.973 4.359 ( -6.893 14.515 -3.494) 16.445 4.524 ( 1.332 -3.546 0.520) 3.824 6.139 ( 11.713 -11.919 2.425) 16.886 7.499 ( 2.906 3.487 -24.280) 24.701 8.026 ( -8.728 0.236 20.910) 22.660 24.533 ( -8.967 22.838 -2.946) 24.712 27.144 ( 0.371 2.111 0.173) 2.150 28.701 ( 12.327 -11.893 -3.470) 17.477 33.140 ( -3.627 -17.145 1.253) 17.569 96.245 ( -25.186 30.264 -12.912) 41.436 98.310 ( -4.497 -5.831 13.364) 15.259 ======================= Grid point 15 (10/413) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 11.905 7.522 10.800) 17.747 0.880 ( 17.147 3.736 8.426) 19.467 1.578 ( 27.895 15.269 5.927) 32.348 2.302 ( 5.507 0.171 -0.953) 5.591 2.483 ( -0.535 3.476 -2.118) 4.105 3.136 ( -4.870 -2.458 -5.181) 7.524 4.025 ( 21.193 0.451 0.858) 21.215 4.278 ( -1.172 12.525 -1.102) 12.628 4.558 ( 2.049 -3.515 -0.349) 4.083 6.286 ( 3.876 -7.103 2.479) 8.463 7.415 ( 3.665 -3.460 -17.790) 18.490 7.980 ( -9.043 2.879 13.328) 16.362 24.421 ( -3.032 19.368 -0.563) 19.612 27.155 ( 0.682 2.674 0.331) 2.779 28.835 ( 6.255 -7.846 -4.106) 10.842 33.052 ( -6.324 -16.666 0.414) 17.830 95.913 ( -7.809 20.278 -3.903) 22.078 98.293 ( -5.341 -4.586 8.403) 10.962 ======================= Grid point 16 (11/413) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 12.109 4.137 12.134) 17.635 1.251 ( 16.134 0.849 6.994) 17.605 2.106 ( 23.718 8.907 2.600) 25.468 2.356 ( 0.747 -2.171 -0.040) 2.296 2.487 ( 3.619 4.553 -0.878) 5.882 2.987 ( -6.450 -1.816 -6.551) 9.371 4.264 ( 1.084 7.599 -1.006) 7.742 4.451 ( 20.806 0.712 -3.666) 21.139 4.604 ( 4.341 -4.752 3.950) 7.551 6.361 ( 2.581 -2.980 3.303) 5.143 7.353 ( 1.350 -7.569 -13.316) 15.376 7.898 ( -7.710 3.421 8.009) 11.632 24.382 ( -1.372 16.733 0.187) 16.790 27.173 ( 0.867 3.499 0.421) 3.629 28.903 ( 4.189 -4.515 -3.103) 6.896 32.922 ( -7.534 -16.083 -0.187) 17.761 95.808 ( -2.669 12.888 -1.395) 13.235 98.244 ( -5.044 -3.786 5.305) 8.241 ======================= Grid point 17 (12/413) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 11.677 1.578 10.896) 16.048 1.566 ( 12.689 0.986 5.798) 13.986 2.307 ( -0.566 -0.696 -1.451) 1.706 2.397 ( 4.579 4.843 -4.748) 8.183 2.710 ( 16.066 1.327 6.998) 17.574 2.811 ( -6.455 -0.516 -7.130) 9.632 4.284 ( 1.509 3.786 -0.231) 4.082 4.556 ( 1.881 -0.632 -5.119) 5.491 4.937 ( 19.269 -4.659 4.672) 20.368 6.439 ( 3.291 -0.593 3.131) 4.581 7.265 ( -1.776 -9.388 -9.972) 13.810 7.820 ( -5.420 2.280 4.643) 7.492 24.365 ( -0.782 15.380 0.395) 15.405 27.192 ( 0.867 4.412 0.417) 4.516 28.950 ( 3.038 -2.452 -2.123) 4.444 32.781 ( -7.091 -15.543 -0.420) 17.090 95.769 ( -1.005 9.571 -0.594) 9.642 98.188 ( -4.216 -3.217 3.297) 6.245 ======================= Grid point 18 (13/413) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 9.931 -0.458 8.402) 13.017 1.800 ( 8.349 1.395 4.407) 9.543 2.269 ( -1.678 -0.913 -1.115) 2.212 2.410 ( 0.942 5.161 -4.473) 6.894 2.625 ( -7.038 -0.211 -5.357) 8.847 3.049 ( 13.166 -1.196 4.309) 13.904 4.313 ( 1.507 0.883 0.123) 1.751 4.542 ( 0.161 -0.302 -3.061) 3.080 5.272 ( 13.237 -5.459 2.720) 14.575 6.524 ( 3.695 1.475 1.981) 4.445 7.153 ( -3.461 -10.373 -6.422) 12.682 7.767 ( -3.080 0.237 2.369) 3.893 24.357 ( -0.436 14.662 0.342) 14.672 27.209 ( 0.647 5.201 0.308) 5.251 28.984 ( 1.911 -1.152 -1.251) 2.558 32.663 ( -5.045 -15.130 -0.369) 15.953 95.754 ( -0.368 8.123 -0.261) 8.136 98.140 ( -2.825 -2.809 1.810) 4.376 ======================= Grid point 19 (14/413) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( 5.889 -1.641 4.108) 7.365 1.923 ( 1.730 0.091 1.581) 2.345 2.251 ( 0.556 1.271 0.468) 1.465 2.364 ( -2.243 4.234 -4.077) 6.292 2.502 ( -2.590 1.167 -1.545) 3.234 3.239 ( 4.683 -3.050 1.500) 5.787 4.336 ( 0.662 -0.602 0.112) 0.902 4.526 ( -0.109 0.121 -1.047) 1.060 5.453 ( 4.605 -6.026 0.957) 7.644 6.591 ( 1.956 3.706 0.659) 4.242 7.065 ( -1.978 -11.774 -2.284) 12.156 7.740 ( -1.010 -1.228 0.724) 1.747 24.353 ( -0.143 14.338 0.132) 14.339 27.219 ( 0.241 5.661 0.114) 5.667 29.002 ( 0.656 -0.502 -0.416) 0.925 32.596 ( -1.825 -14.908 -0.142) 15.020 95.749 ( -0.092 7.575 -0.075) 7.576 98.113 ( -0.997 -2.590 0.577) 2.835 ======================= Grid point 26 (15/413) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 0.000 23.432 0.000) 23.432 0.890 ( 0.000 20.739 0.000) 20.739 1.293 ( 0.000 29.489 0.000) 29.489 2.209 ( 0.000 4.608 0.000) 4.608 2.600 ( 0.000 5.009 0.000) 5.009 3.197 ( 0.000 -5.120 0.000) 5.120 3.645 ( 0.000 4.001 0.000) 4.001 4.413 ( 0.000 -4.310 0.000) 4.310 4.530 ( 0.000 -0.659 0.000) 0.659 5.937 ( 0.000 1.377 0.000) 1.377 7.757 ( 0.000 8.074 0.000) 8.074 7.943 ( 0.000 -3.607 0.000) 3.607 25.117 ( 0.000 25.847 0.000) 25.847 27.197 ( 0.000 3.852 0.000) 3.852 28.424 ( 0.000 -4.969 0.000) 4.969 32.673 ( 0.000 -32.233 0.000) 32.233 96.870 ( 0.000 3.474 0.000) 3.474 98.159 ( 0.000 -7.102 0.000) 7.102 ======================= Grid point 27 (16/413) ======================= q-point: ( 0.08 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( 1.839 19.985 -3.451) 20.363 0.936 ( 2.842 20.863 7.597) 22.385 1.515 ( 17.187 24.394 5.829) 30.405 2.248 ( 3.888 3.095 -0.946) 5.058 2.590 ( -0.529 5.121 -0.935) 5.233 3.161 ( -2.478 -4.922 -3.083) 6.314 3.750 ( 10.706 3.244 0.867) 11.220 4.438 ( 2.107 -3.848 0.321) 4.399 4.526 ( -0.157 3.117 -1.441) 3.437 6.006 ( 7.070 -3.159 -1.487) 7.885 7.590 ( -2.133 4.809 -25.632) 26.166 8.014 ( -7.140 -0.645 25.795) 26.772 25.040 ( -5.852 28.928 -1.967) 29.579 27.207 ( 0.991 4.210 0.113) 4.326 28.516 ( 8.205 -7.754 -0.334) 11.294 32.647 ( -2.958 -32.116 0.158) 32.252 96.642 ( -15.955 12.926 -8.539) 22.239 98.173 ( -1.731 -7.886 6.234) 10.200 ======================= Grid point 28 (17/413) ======================= q-point: ( 0.15 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 10.182 11.648 -0.080) 15.471 1.101 ( 7.254 15.839 11.537) 20.894 1.919 ( 20.550 17.833 5.718) 27.804 2.307 ( 2.409 0.209 -0.852) 2.564 2.576 ( 0.641 5.574 -2.541) 6.160 3.068 ( -4.353 -4.288 -4.682) 7.698 4.036 ( 18.380 0.566 1.585) 18.457 4.479 ( 1.976 -1.384 -1.745) 2.978 4.497 ( -0.980 5.685 -1.602) 5.988 6.139 ( 7.898 -7.083 -2.000) 10.795 7.385 ( -2.684 0.308 -18.020) 18.221 8.016 ( -9.703 0.852 18.974) 21.328 24.925 ( -4.569 30.522 -1.403) 30.894 27.234 ( 1.807 5.212 0.236) 5.522 28.667 ( 8.014 -8.454 -1.307) 11.722 32.568 ( -5.363 -31.559 -0.180) 32.012 96.315 ( -11.880 18.443 -5.995) 22.743 98.169 ( -3.330 -7.652 5.665) 10.086 ======================= Grid point 29 (18/413) ======================= q-point: ( 0.23 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 11.985 5.637 3.746) 13.764 1.356 ( 10.730 9.742 10.976) 18.180 2.307 ( 5.701 3.561 0.197) 6.725 2.331 ( 11.722 6.440 2.127) 13.543 2.588 ( 3.269 5.319 -2.188) 6.616 2.939 ( -5.576 -2.889 -5.133) 8.110 4.385 ( 9.731 0.296 -1.929) 9.925 4.462 ( 5.117 1.373 3.244) 6.212 4.528 ( 5.785 -0.445 -4.051) 7.077 6.264 ( 7.295 -7.174 -2.212) 10.468 7.225 ( -3.814 -4.222 -10.460) 11.907 7.945 ( -9.608 1.031 12.009) 15.414 24.852 ( -2.738 29.760 -0.669) 29.893 27.275 ( 2.270 6.671 0.324) 7.054 28.789 ( 6.386 -6.462 -1.526) 9.212 32.452 ( -6.564 -30.685 -0.554) 31.384 96.120 ( -6.174 17.151 -3.031) 18.479 98.137 ( -3.691 -6.862 3.988) 8.754 ======================= Grid point 30 (19/413) ======================= q-point: ( 0.31 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 11.235 2.567 5.539) 12.786 1.629 ( 10.480 5.606 8.530) 14.629 2.284 ( -1.803 -1.571 -0.579) 2.460 2.517 ( 4.206 6.567 -4.957) 9.240 2.728 ( 4.347 -0.157 0.316) 4.361 2.823 ( 2.677 2.486 -1.143) 3.828 4.359 ( -2.061 2.996 -1.733) 4.028 4.525 ( 1.232 -2.683 -1.891) 3.506 4.830 ( 18.340 -5.285 1.257) 19.128 6.382 ( 7.619 -6.645 -2.973) 10.538 7.082 ( -5.855 -6.801 -4.737) 10.147 7.846 ( -8.071 0.033 6.888) 10.610 24.809 ( -1.627 28.724 -0.262) 28.771 27.320 ( 2.238 8.280 0.342) 8.584 28.883 ( 4.818 -4.173 -1.262) 6.498 32.326 ( -6.265 -29.790 -0.682) 30.449 96.023 ( -2.930 15.162 -1.432) 15.509 98.095 ( -3.244 -6.073 2.552) 7.342 ======================= Grid point 31 (20/413) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 9.385 0.578 5.066) 10.681 1.845 ( 6.603 3.082 5.406) 9.073 2.254 ( -0.413 -0.663 -0.524) 0.940 2.523 ( 0.457 5.253 -4.416) 6.878 2.621 ( -5.876 0.390 -3.141) 6.675 3.032 ( 9.973 -0.267 2.217) 10.219 4.321 ( -1.167 -0.469 -0.502) 1.354 4.526 ( 0.440 -1.463 -1.715) 2.297 5.128 ( 12.316 -8.461 0.967) 14.974 6.507 ( 8.550 -6.625 -3.936) 11.510 6.936 ( -7.784 -7.432 -0.404) 10.770 7.755 ( -5.498 -1.552 3.415) 6.656 24.785 ( -0.891 27.968 -0.078) 27.983 27.359 ( 1.652 9.667 0.265) 9.811 28.949 ( 3.065 -2.410 -0.811) 3.982 32.220 ( -4.495 -29.088 -0.538) 29.439 95.979 ( -1.266 13.909 -0.626) 13.981 98.058 ( -2.210 -5.449 1.405) 6.046 ======================= Grid point 32 (21/413) ======================= q-point: ( 0.46 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 6.134 -0.497 2.953) 6.826 1.925 ( -0.686 0.318 0.842) 1.132 2.282 ( 3.072 1.532 0.978) 3.569 2.441 ( -4.733 2.376 -3.182) 6.179 2.555 ( -0.415 4.769 -0.781) 4.850 3.170 ( 3.545 -3.428 0.674) 4.977 4.306 ( -0.290 -2.483 -0.013) 2.500 4.521 ( 0.061 -0.863 -0.645) 1.079 5.289 ( 4.277 -10.035 0.329) 10.913 6.643 ( 9.203 -7.260 -4.038) 12.398 6.788 ( -8.962 -6.770 2.601) 11.529 7.700 ( -1.986 -2.753 1.017) 3.544 24.773 ( -0.287 27.583 -0.013) 27.585 27.382 ( 0.611 10.474 0.100) 10.492 28.984 ( 1.057 -1.466 -0.280) 1.829 32.159 ( -1.633 -28.710 -0.202) 28.757 95.962 ( -0.349 13.359 -0.175) 13.365 98.036 ( -0.784 -5.103 0.447) 5.182 ======================= Grid point 39 (22/413) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 0.000 18.119 0.000) 18.119 1.352 ( 0.000 23.350 0.000) 23.350 1.833 ( 0.000 24.531 0.000) 24.531 2.283 ( 0.000 2.390 0.000) 2.390 2.715 ( 0.000 6.277 0.000) 6.277 3.075 ( 0.000 -7.059 0.000) 7.059 3.752 ( 0.000 6.754 0.000) 6.754 4.362 ( 0.000 -0.088 0.000) 0.088 4.508 ( 0.000 -1.635 0.000) 1.635 5.923 ( 0.000 -3.528 0.000) 3.528 7.883 ( 0.000 -1.902 0.000) 1.902 7.911 ( 0.000 6.890 0.000) 6.890 25.746 ( 0.000 37.065 0.000) 37.065 27.293 ( 0.000 5.770 0.000) 5.770 28.304 ( 0.000 -7.054 0.000) 7.054 31.903 ( 0.000 -44.551 0.000) 44.551 96.955 ( 0.000 5.095 0.000) 5.095 97.993 ( 0.000 -9.294 0.000) 9.294 ======================= Grid point 40 (23/413) ======================= q-point: ( 0.08 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -1.534 18.874 -2.035) 19.045 1.364 ( 1.772 21.691 1.736) 21.833 1.976 ( 10.998 21.446 5.913) 24.816 2.295 ( 1.205 1.307 -0.596) 1.875 2.707 ( -0.034 6.214 -1.886) 6.494 3.046 ( -2.187 -6.493 -1.990) 7.134 3.835 ( 8.208 5.405 1.112) 9.890 4.391 ( 2.770 -0.099 -0.234) 2.781 4.540 ( 3.394 -1.065 -1.424) 3.832 5.938 ( 2.976 -5.162 -3.339) 6.831 7.672 ( -6.330 3.499 -18.595) 19.952 8.019 ( -5.171 1.143 21.299) 21.947 25.706 ( -3.379 38.131 -1.267) 38.302 27.311 ( 1.865 6.207 0.059) 6.481 28.364 ( 5.959 -7.800 0.147) 9.817 31.880 ( -2.344 -44.320 -0.315) 44.383 96.848 ( -8.456 8.832 -4.630) 13.074 97.998 ( -0.878 -9.577 2.941) 10.056 ======================= Grid point 41 (24/413) ======================= q-point: ( 0.15 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( 3.738 15.931 -2.832) 16.607 1.449 ( 3.697 18.332 7.359) 20.097 2.252 ( 11.390 12.612 3.986) 17.455 2.314 ( 2.844 3.087 1.188) 4.362 2.691 ( 0.830 5.363 -4.373) 6.969 2.974 ( -3.614 -4.714 -2.338) 6.384 4.053 ( 13.081 1.595 2.635) 13.439 4.447 ( 4.602 0.049 -3.436) 5.743 4.575 ( 0.852 1.109 -2.001) 2.441 5.986 ( 5.794 -9.296 -6.255) 12.614 7.421 ( -8.714 3.404 -10.535) 14.089 8.021 ( -9.118 -0.321 16.828) 19.142 25.624 ( -3.925 39.484 -1.534) 39.708 27.361 ( 3.383 7.428 0.146) 8.163 28.502 ( 8.241 -8.224 -0.157) 11.644 31.814 ( -4.265 -43.634 -0.701) 43.847 96.636 ( -9.338 14.116 -4.825) 17.600 97.996 ( -1.888 -9.582 3.278) 10.302 ======================= Grid point 42 (25/413) ======================= q-point: ( 0.23 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 8.178 10.287 -0.707) 13.161 1.600 ( 5.692 13.863 9.445) 17.714 2.280 ( -1.208 -1.916 -0.819) 2.409 2.553 ( 11.506 10.843 1.924) 15.926 2.680 ( 2.306 3.070 -4.422) 5.856 2.890 ( -3.560 -1.090 -1.171) 3.902 4.312 ( 10.177 -3.533 3.821) 11.431 4.500 ( 1.272 1.141 -5.114) 5.392 4.560 ( 4.387 1.615 -3.609) 5.906 6.057 ( 7.366 -13.922 -8.429) 17.864 7.209 ( -9.035 2.712 -2.367) 9.725 7.939 ( -10.441 -1.531 11.884) 15.893 25.548 ( -3.075 39.795 -1.270) 39.934 27.434 ( 4.224 9.190 0.239) 10.117 28.653 ( 8.026 -7.216 -0.446) 10.803 31.717 ( -5.306 -42.639 -0.998) 42.979 96.458 ( -6.507 16.423 -3.224) 17.957 97.977 ( -2.313 -9.094 2.507) 9.713 ======================= Grid point 43 (26/413) ======================= q-point: ( 0.31 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 9.626 5.631 1.392) 11.238 1.780 ( 6.076 8.981 8.560) 13.815 2.248 ( -1.213 -2.001 -0.973) 2.534 2.612 ( 0.186 0.994 -5.664) 5.754 2.740 ( 0.109 3.493 -2.051) 4.052 2.899 ( 6.361 4.490 2.614) 8.213 4.385 ( -3.355 -0.469 -3.009) 4.531 4.462 ( 0.965 -2.838 0.704) 3.079 4.741 ( 13.738 -3.801 -2.600) 14.489 6.130 ( 7.418 -18.263 -9.590) 21.921 7.051 ( -8.378 3.449 3.241) 9.623 7.820 ( -9.632 -2.587 7.625) 12.554 25.492 ( -2.087 39.511 -0.909) 39.576 27.515 ( 4.141 11.126 0.288) 11.875 28.786 ( 6.589 -5.568 -0.507) 8.641 31.610 ( -5.155 -41.615 -1.036) 41.945 96.347 ( -3.696 16.814 -1.787) 17.308 97.950 ( -2.119 -8.440 1.630) 8.854 ======================= Grid point 44 (27/413) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 8.590 2.791 2.221) 9.301 1.920 ( 2.804 4.273 5.060) 7.192 2.240 ( 1.617 -0.613 -0.369) 1.769 2.551 ( -3.483 -1.562 -2.419) 4.519 2.699 ( -0.773 6.418 -3.203) 7.214 3.042 ( 5.785 1.153 1.041) 5.990 4.291 ( -3.655 -2.255 -1.572) 4.574 4.481 ( 0.696 -3.064 -0.640) 3.207 4.955 ( 9.747 -8.552 -0.966) 13.003 6.190 ( 5.994 -22.536 -8.388) 24.783 6.944 ( -6.388 5.933 5.039) 10.070 7.706 ( -6.952 -3.328 4.188) 8.771 25.457 ( -1.207 39.134 -0.546) 39.157 27.585 ( 3.046 12.795 0.243) 13.155 28.885 ( 4.329 -4.100 -0.383) 5.974 31.519 ( -3.754 -40.817 -0.773) 40.996 96.288 ( -1.770 16.663 -0.846) 16.778 97.925 ( -1.465 -7.862 0.889) 8.046 ======================= Grid point 45 (28/413) ======================= q-point: ( 0.46 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 5.949 1.258 1.589) 6.284 1.940 ( -2.444 1.201 0.629) 2.795 2.305 ( 4.097 0.695 0.624) 4.202 2.458 ( -4.471 -0.115 -0.756) 4.536 2.678 ( 0.135 6.793 -1.429) 6.943 3.116 ( 1.845 -1.912 0.049) 2.658 4.239 ( -1.250 -4.049 -0.325) 4.250 4.483 ( 0.135 -3.101 -0.403) 3.130 5.074 ( 3.397 -10.969 -0.309) 11.487 6.227 ( 2.445 -25.706 -3.485) 26.056 6.888 ( -2.488 8.469 2.445) 9.159 7.635 ( -2.576 -3.684 1.327) 4.687 25.439 ( -0.396 38.904 -0.183) 38.906 27.626 ( 1.124 13.769 0.096) 13.815 28.938 ( 1.510 -3.270 -0.142) 3.605 31.467 ( -1.376 -40.392 -0.285) 40.417 96.264 ( -0.513 16.520 -0.244) 16.530 97.910 ( -0.521 -7.526 0.279) 7.549 ======================= Grid point 52 (29/413) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 0.000 15.103 0.000) 15.103 1.792 ( 0.000 20.427 0.000) 20.427 2.262 ( 0.000 18.279 0.000) 18.279 2.293 ( 0.000 -1.455 0.000) 1.455 2.832 ( 0.000 4.899 0.000) 4.899 2.920 ( 0.000 -8.294 0.000) 8.294 3.908 ( 0.000 8.673 0.000) 8.673 4.435 ( 0.000 7.892 0.000) 7.892 4.460 ( 0.000 -3.218 0.000) 3.218 5.774 ( 0.000 -11.638 0.000) 11.638 7.880 ( 0.000 1.666 0.000) 1.666 8.018 ( 0.000 3.596 0.000) 3.596 26.581 ( 0.000 46.374 0.000) 46.374 27.426 ( 0.000 7.513 0.000) 7.513 28.147 ( 0.000 -8.620 0.000) 8.620 30.925 ( 0.000 -52.950 0.000) 52.950 97.072 ( 0.000 6.645 0.000) 6.645 97.796 ( 0.000 -10.291 0.000) 10.291 ======================= Grid point 53 (30/413) ======================= q-point: ( 0.08 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -1.671 15.564 -0.387) 15.658 1.780 ( 0.752 19.500 -2.593) 19.686 2.288 ( -0.201 -1.024 -0.787) 1.307 2.360 ( 6.737 15.618 6.273) 18.129 2.803 ( 0.192 1.169 -7.921) 8.009 2.925 ( -1.577 -3.785 4.876) 6.371 3.968 ( 5.758 7.911 1.093) 9.845 4.450 ( 2.151 5.488 -2.582) 6.435 4.501 ( 4.309 -1.865 -0.539) 4.727 5.764 ( 0.406 -12.656 -3.762) 13.209 7.748 ( -8.012 4.504 -8.210) 12.324 8.042 ( -4.797 0.595 12.617) 13.511 26.554 ( -2.327 46.675 -1.054) 46.745 27.452 ( 2.790 7.927 0.036) 8.403 28.200 ( 5.396 -8.685 0.252) 10.228 30.907 ( -1.718 -52.704 -0.592) 52.736 97.017 ( -4.507 8.479 -2.520) 9.927 97.797 ( -0.534 -10.480 1.302) 10.574 ======================= Grid point 54 (31/413) ======================= q-point: ( 0.15 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.215 15.176 -2.747) 15.424 1.805 ( 1.965 16.792 2.327) 17.065 2.269 ( -0.974 -2.125 -1.243) 2.648 2.558 ( 8.867 11.627 5.656) 15.678 2.738 ( -0.234 -1.548 -8.522) 8.665 2.927 ( -1.678 1.253 4.024) 4.537 4.123 ( 8.975 5.821 2.360) 10.955 4.477 ( 3.993 2.273 -5.620) 7.260 4.571 ( 2.892 -0.374 -1.643) 3.347 5.738 ( 1.327 -15.809 -7.497) 17.547 7.522 ( -11.179 6.528 -2.791) 13.243 7.999 ( -9.327 -2.104 12.162) 15.471 26.491 ( -3.140 47.232 -1.591) 47.363 27.526 ( 5.038 9.081 0.116) 10.385 28.335 ( 8.448 -8.580 0.218) 12.043 30.855 ( -3.162 -52.020 -1.107) 52.127 96.893 ( -5.949 12.048 -3.168) 13.805 97.792 ( -1.100 -10.695 1.565) 10.864 ======================= Grid point 55 (32/413) ======================= q-point: ( 0.23 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 3.737 12.246 -2.451) 13.036 1.877 ( 2.488 13.240 5.567) 14.577 2.236 ( -1.276 -2.420 -1.679) 3.210 2.640 ( -0.317 -3.553 -7.651) 8.441 2.781 ( 6.872 8.736 3.806) 11.748 2.924 ( -0.681 3.787 2.262) 4.463 4.301 ( 7.035 3.033 2.813) 8.161 4.509 ( 2.153 -0.045 -5.962) 6.339 4.572 ( 1.967 -0.025 -4.572) 4.977 5.713 ( 2.843 -20.168 -9.777) 22.592 7.316 ( -10.711 7.426 3.173) 13.414 7.885 ( -11.114 -3.885 10.076) 15.496 26.422 ( -2.811 47.600 -1.644) 47.711 27.634 ( 6.267 10.741 0.231) 12.438 28.501 ( 9.044 -8.020 0.040) 12.087 30.777 ( -4.029 -51.071 -1.415) 51.249 96.769 ( -4.919 14.853 -2.523) 15.849 97.779 ( -1.365 -10.647 1.213) 10.803 ======================= Grid point 56 (33/413) ======================= q-point: ( 0.31 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 6.270 8.236 -0.923) 10.392 1.962 ( 1.656 8.418 5.708) 10.304 2.210 ( 0.243 -1.323 -1.527) 2.034 2.571 ( -1.705 -3.695 -5.043) 6.480 2.853 ( -0.050 6.413 -1.214) 6.527 2.985 ( 4.565 3.810 2.940) 6.633 4.377 ( -1.515 1.085 -2.700) 3.280 4.423 ( -2.998 -1.323 -1.719) 3.700 4.668 ( 9.228 -3.575 -3.848) 10.618 5.702 ( 3.500 -23.534 -9.662) 25.680 7.175 ( -8.211 7.976 6.175) 13.007 7.747 ( -10.237 -4.625 7.558) 13.540 26.366 ( -2.075 47.719 -1.389) 47.784 27.754 ( 6.138 12.579 0.314) 14.000 28.660 ( 7.804 -7.189 -0.101) 10.611 30.691 ( -4.036 -50.129 -1.394) 50.311 96.679 ( -3.164 16.371 -1.594) 16.750 97.762 ( -1.249 -10.397 0.759) 10.500 ======================= Grid point 57 (34/413) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 6.635 4.763 0.243) 8.171 1.999 ( -1.125 3.019 2.631) 4.160 2.241 ( 3.436 1.078 0.345) 3.618 2.506 ( -2.573 -2.644 -1.994) 4.194 2.828 ( -0.626 6.230 -2.336) 6.683 3.066 ( 2.262 0.916 0.812) 2.572 4.250 ( -5.616 -1.345 -2.907) 6.465 4.411 ( -0.097 -3.670 -1.282) 3.888 4.802 ( 6.664 -6.276 -1.751) 9.320 5.700 ( 2.802 -25.312 -7.085) 26.434 7.096 ( -4.974 8.490 5.516) 11.280 7.627 ( -7.208 -4.475 4.725) 9.711 26.326 ( -1.251 47.709 -0.925) 47.735 27.857 ( 4.526 14.201 0.287) 14.908 28.782 ( 5.235 -6.442 -0.138) 8.302 30.615 ( -3.027 -49.437 -1.018) 49.540 96.627 ( -1.635 17.038 -0.822) 17.136 97.746 ( -0.854 -10.099 0.390) 10.143 ======================= Grid point 58 (35/413) ======================= q-point: ( 0.46 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 5.018 2.473 0.433) 5.611 1.969 ( -3.013 1.475 0.361) 3.374 2.317 ( 3.309 0.752 0.594) 3.445 2.447 ( -2.606 -0.915 -0.346) 2.784 2.808 ( -0.074 6.068 -1.165) 6.179 3.087 ( 0.222 -1.286 -0.102) 1.309 4.163 ( -2.062 -2.981 -0.812) 3.715 4.398 ( -0.244 -5.313 -0.716) 5.366 4.878 ( 2.296 -7.895 -0.564) 8.241 5.702 ( 1.091 -26.025 -2.585) 26.176 7.064 ( -1.636 8.832 2.169) 9.240 7.557 ( -2.614 -4.074 1.610) 5.101 26.306 ( -0.417 47.679 -0.325) 47.682 27.918 ( 1.676 15.178 0.118) 15.271 28.847 ( 1.838 -6.023 -0.063) 6.297 30.570 ( -1.130 -49.095 -0.372) 49.109 96.604 ( -0.491 17.274 -0.248) 17.283 97.737 ( -0.301 -9.903 0.117) 9.908 ======================= Grid point 65 (36/413) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 354 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 11.964 0.000) 11.964 2.156 ( 0.000 16.043 0.000) 16.043 2.225 ( 0.000 -5.313 0.000) 5.313 2.530 ( 0.000 6.082 0.000) 6.082 2.773 ( 0.000 -3.919 0.000) 3.919 2.886 ( 0.000 0.063 0.000) 0.063 4.085 ( 0.000 8.804 0.000) 8.804 4.376 ( 0.000 -5.303 0.000) 5.303 4.682 ( 0.000 16.627 0.000) 16.627 5.467 ( 0.000 -18.594 0.000) 18.594 7.940 ( 0.000 3.874 0.000) 3.874 8.051 ( 0.000 -0.228 0.000) 0.228 27.576 ( 0.000 50.484 0.000) 50.484 27.590 ( 0.000 11.585 0.000) 11.585 27.965 ( 0.000 -9.490 0.000) 9.490 29.822 ( 0.000 -57.050 0.000) 57.050 97.220 ( 0.000 8.113 0.000) 8.113 97.591 ( 0.000 -10.222 0.000) 10.222 ======================= Grid point 66 (37/413) ======================= q-point: ( 0.08 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( -1.434 12.015 0.117) 12.101 2.115 ( -1.489 11.894 -3.355) 12.448 2.236 ( 0.912 -1.460 -1.682) 2.407 2.570 ( 3.036 0.584 -0.492) 3.131 2.756 ( 0.436 1.450 -1.734) 2.302 2.920 ( 0.409 -0.202 6.017) 6.034 4.139 ( 5.461 8.699 0.121) 10.272 4.413 ( 4.288 -4.843 -1.986) 6.767 4.675 ( -0.095 15.002 -1.807) 15.111 5.442 ( -1.501 -19.109 -3.258) 19.443 7.852 ( -7.714 5.669 -1.545) 9.697 8.028 ( -5.672 -2.104 6.667) 9.003 27.544 ( -2.636 51.184 -1.088) 51.264 27.623 ( 3.512 9.229 0.073) 9.875 28.027 ( 6.001 -7.540 0.308) 9.642 29.809 ( -1.150 -56.815 -0.763) 56.831 97.192 ( -2.317 9.123 -1.292) 9.501 97.586 ( -0.577 -10.524 0.320) 10.545 ======================= Grid point 67 (38/413) ======================= q-point: ( 0.15 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -1.253 11.927 -1.724) 12.116 2.079 ( -0.917 7.697 -0.315) 7.758 2.230 ( 0.577 1.105 -3.193) 3.428 2.577 ( 0.816 -7.577 -7.104) 10.419 2.815 ( 3.958 8.133 5.371) 10.520 2.968 ( 0.175 1.010 5.019) 5.123 4.275 ( 8.623 8.288 0.137) 11.961 4.478 ( 4.413 -2.392 -4.453) 6.710 4.652 ( -0.520 9.884 -3.387) 10.461 5.368 ( -2.463 -20.651 -6.316) 21.735 7.668 ( -11.474 7.788 2.072) 14.021 7.932 ( -10.194 -4.602 8.251) 13.899 27.480 ( -2.876 50.359 -1.659) 50.469 27.717 ( 6.334 9.922 0.206) 11.773 28.170 ( 8.729 -6.594 0.239) 10.942 29.770 ( -2.175 -56.163 -1.382) 56.222 97.125 ( -3.338 11.378 -1.803) 11.994 97.574 ( -1.002 -11.163 0.326) 11.213 ======================= Grid point 68 (39/413) ======================= q-point: ( 0.23 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.730 10.662 -2.526) 10.981 2.067 ( -1.246 2.242 1.395) 2.920 2.223 ( 1.182 4.229 -2.574) 5.090 2.529 ( -0.356 -6.842 -6.051) 9.141 2.932 ( 3.832 5.932 4.398) 8.320 2.995 ( -0.033 2.590 2.881) 3.874 4.428 ( 5.479 7.613 -0.183) 9.381 4.507 ( 4.471 0.003 -5.492) 7.082 4.589 ( -3.337 4.069 -5.684) 7.746 5.279 ( -0.999 -22.646 -7.767) 23.962 7.481 ( -11.275 8.623 5.736) 15.309 7.786 ( -11.597 -6.060 8.409) 15.554 27.419 ( -2.319 51.120 -1.825) 51.205 27.853 ( 7.885 10.979 0.363) 13.522 28.341 ( 9.224 -7.247 0.062) 11.731 29.711 ( -2.913 -55.276 -1.717) 55.379 97.052 ( -3.037 13.593 -1.614) 14.021 97.556 ( -1.104 -11.744 0.166) 11.797 ======================= Grid point 69 (40/413) ======================= q-point: ( 0.31 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 2.879 8.119 -1.826) 8.806 2.047 ( -1.531 -1.045 0.403) 1.897 2.244 ( 2.230 5.467 -0.366) 5.916 2.483 ( -0.790 -5.029 -3.602) 6.236 2.970 ( -0.927 4.941 0.127) 5.029 3.040 ( 1.983 1.543 2.488) 3.536 4.411 ( -3.751 0.474 -3.868) 5.409 4.441 ( -5.960 3.504 -6.202) 9.288 4.625 ( 7.985 1.578 -2.190) 8.429 5.231 ( 1.528 -22.928 -7.094) 24.049 7.342 ( -8.568 8.448 7.066) 13.954 7.639 ( -10.051 -6.184 7.444) 13.952 27.369 ( -1.646 52.120 -1.638) 52.171 28.005 ( 7.807 12.258 0.486) 14.541 28.503 ( 7.984 -8.184 -0.102) 11.434 29.641 ( -3.133 -54.470 -1.665) 54.585 96.994 ( -2.110 15.135 -1.133) 15.323 97.537 ( -0.915 -12.094 0.028) 12.128 ======================= Grid point 70 (41/413) ======================= q-point: ( 0.38 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 3.807 5.083 -0.796) 6.400 2.020 ( -1.421 -0.938 -0.169) 1.711 2.293 ( 2.704 3.909 0.679) 4.801 2.448 ( -0.985 -3.223 -1.611) 3.735 2.941 ( -1.349 5.058 -1.173) 5.365 3.068 ( -0.251 -0.940 0.561) 1.123 4.248 ( -6.943 1.128 -4.144) 8.164 4.344 ( -2.881 -3.025 -3.513) 5.458 4.736 ( 5.094 0.762 -1.424) 5.344 5.223 ( 1.999 -21.752 -4.919) 22.391 7.263 ( -5.060 7.979 5.589) 10.977 7.529 ( -6.626 -5.426 5.175) 10.006 27.335 ( -0.979 52.851 -1.135) 52.872 28.138 ( 5.894 13.661 0.466) 14.885 28.627 ( 5.342 -8.996 -0.185) 10.464 29.576 ( -2.540 -54.044 -1.208) 54.117 96.957 ( -1.146 15.993 -0.633) 16.046 97.523 ( -0.575 -12.231 -0.027) 12.245 ======================= Grid point 71 (42/413) ======================= q-point: ( 0.46 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 3.042 2.394 -0.170) 3.875 1.990 ( -1.818 0.442 -0.082) 1.873 2.342 ( 1.726 1.886 0.412) 2.590 2.423 ( -0.849 -1.512 -0.411) 1.782 2.915 ( -0.516 4.685 -0.700) 4.765 3.054 ( -0.804 -2.244 -0.130) 2.387 4.137 ( -2.613 0.503 -1.357) 2.987 4.283 ( -1.323 -5.778 -1.373) 6.085 4.792 ( 1.702 0.010 -0.547) 1.787 5.226 ( 0.852 -20.884 -1.740) 20.973 7.230 ( -1.633 7.651 2.104) 8.101 7.471 ( -2.302 -4.687 1.852) 5.540 27.317 ( -0.325 53.216 -0.406) 53.219 28.219 ( 2.234 14.759 0.203) 14.929 28.693 ( 1.858 -9.549 -0.099) 9.729 29.536 ( -1.000 -53.980 -0.440) 53.991 96.941 ( -0.352 16.354 -0.200) 16.359 97.516 ( -0.193 -12.259 -0.017) 12.260 ======================= Grid point 78 (43/413) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 236 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 0.000 -8.756 0.000) 8.756 2.085 ( 0.000 8.756 0.000) 8.756 2.432 ( 0.000 -11.463 0.000) 11.463 2.432 ( 0.000 11.463 0.000) 11.463 2.832 ( 0.000 -5.116 0.000) 5.116 2.832 ( 0.000 5.116 0.000) 5.116 4.249 ( 0.000 -7.408 0.000) 7.408 4.249 ( 0.000 7.408 0.000) 7.408 5.066 ( 0.000 -20.779 0.000) 20.779 5.066 ( 0.000 20.779 0.000) 20.779 8.015 ( 0.000 -3.159 0.000) 3.159 8.015 ( 0.000 3.159 0.000) 3.159 27.774 ( 0.000 -9.562 0.000) 9.562 27.774 ( 0.000 9.562 0.000) 9.562 28.680 ( 0.000 -56.980 0.000) 56.980 28.680 ( 0.000 56.980 0.000) 56.980 97.394 ( 0.000 -9.387 0.000) 9.387 97.394 ( 0.000 9.387 0.000) 9.387 ======================= Grid point 80 (44/413) ======================= q-point: ( 0.08 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -1.725 -8.300 0.187) 8.480 2.069 ( -1.725 8.300 0.187) 8.480 2.418 ( 0.993 -11.428 -5.834) 12.869 2.418 ( 0.993 11.428 -5.834) 12.869 2.866 ( 1.372 -5.247 5.019) 7.389 2.866 ( 1.372 5.247 5.019) 7.389 4.296 ( 5.235 -6.913 -1.146) 8.747 4.296 ( 5.235 6.913 -1.146) 8.747 5.038 ( -2.037 -20.395 -2.498) 20.648 5.038 ( -2.037 20.395 -2.498) 20.648 7.959 ( -6.779 -4.704 2.638) 8.663 7.959 ( -6.779 4.704 2.638) 8.663 27.808 ( 3.567 -9.120 0.046) 9.793 27.808 ( 3.567 9.120 0.046) 9.793 28.673 ( -0.406 -56.302 -0.809) 56.310 28.673 ( -0.406 56.302 -0.809) 56.310 97.382 ( -1.114 -9.951 -0.448) 10.023 97.382 ( -1.114 9.951 -0.448) 10.023 ======================= Grid point 82 (45/413) ======================= q-point: ( 0.15 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -2.094 -7.750 -0.732) 8.061 2.029 ( -2.094 7.750 -0.732) 8.061 2.393 ( 1.174 -10.301 -6.071) 12.015 2.393 ( 1.174 10.301 -6.071) 12.015 2.939 ( 1.996 -3.959 5.669) 7.196 2.939 ( 1.996 3.959 5.669) 7.196 4.407 ( 7.460 -4.792 -2.656) 9.256 4.407 ( 7.460 4.792 -2.656) 9.256 4.955 ( -3.898 -19.454 -4.610) 20.369 4.955 ( -3.898 19.454 -4.610) 20.369 7.817 ( -11.025 -6.844 5.234) 13.992 7.817 ( -11.025 6.844 5.234) 13.992 27.901 ( 6.256 -7.547 0.071) 9.803 27.901 ( 6.256 7.547 0.071) 9.803 28.655 ( -0.725 -54.050 -1.422) 54.073 28.655 ( -0.725 54.050 -1.422) 54.073 97.350 ( -1.709 -11.262 -0.710) 11.413 97.350 ( -1.709 11.262 -0.710) 11.413 ======================= Grid point 84 (46/413) ======================= q-point: ( 0.23 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -1.126 -7.242 -1.621) 7.506 1.989 ( -1.126 7.242 -1.621) 7.506 2.376 ( 0.851 -8.410 -3.768) 9.255 2.376 ( 0.851 8.410 -3.768) 9.255 3.008 ( 1.383 -1.550 3.846) 4.371 3.008 ( 1.383 1.550 3.846) 4.371 4.498 ( 3.781 -1.150 -4.730) 6.164 4.498 ( 3.781 1.150 -4.730) 6.164 4.848 ( -2.686 -19.465 -5.118) 20.305 4.848 ( -2.686 19.465 -5.118) 20.305 7.647 ( -11.629 -7.804 7.138) 15.719 7.647 ( -11.629 7.804 7.138) 15.719 28.032 ( 7.486 -4.551 0.065) 8.761 28.032 ( 7.486 4.551 0.065) 8.761 28.628 ( -0.920 -49.541 -1.691) 49.579 28.628 ( -0.920 49.541 -1.691) 49.579 97.313 ( -1.668 -12.637 -0.732) 12.768 97.313 ( -1.668 12.637 -0.732) 12.768 ======================= Grid point 86 (47/413) ======================= q-point: ( 0.31 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 0.226 -5.883 -1.622) 6.107 1.969 ( 0.226 5.883 -1.622) 6.107 2.371 ( 0.681 -6.273 -1.719) 6.539 2.371 ( 0.681 6.273 -1.719) 6.539 3.039 ( -0.202 -1.796 1.504) 2.351 3.039 ( -0.202 1.796 1.504) 2.351 4.440 ( -4.945 -2.074 -6.225) 8.216 4.440 ( -4.945 2.074 -6.225) 8.216 4.825 ( 3.216 -16.840 -3.727) 17.545 4.825 ( 3.216 16.840 -3.727) 17.545 7.502 ( -9.347 -7.507 7.361) 14.068 7.502 ( -9.347 7.507 7.361) 14.068 28.170 ( 7.099 -6.879 0.030) 9.885 28.170 ( 7.099 6.879 0.030) 9.885 28.598 ( -1.011 -41.674 -1.559) 41.715 28.598 ( -1.011 41.674 -1.559) 41.715 97.281 ( -1.233 -13.660 -0.585) 13.728 97.281 ( -1.233 13.660 -0.585) 13.728 ======================= Grid point 88 (48/413) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.971 ( 0.944 -3.663 -0.993) 3.910 1.971 ( 0.944 3.663 -0.993) 3.910 2.376 ( 0.732 -4.034 -0.576) 4.140 2.376 ( 0.732 4.034 -0.576) 4.140 3.025 ( -1.526 -3.278 -0.127) 3.618 3.025 ( -1.526 3.278 -0.127) 3.618 4.287 ( -5.940 -2.579 -4.623) 7.957 4.287 ( -5.940 2.579 -4.623) 7.957 4.870 ( 3.385 -12.806 -2.571) 13.493 4.870 ( 3.385 12.806 -2.571) 13.493 7.409 ( -5.755 -6.651 5.487) 10.367 7.409 ( -5.755 6.651 5.487) 10.367 28.287 ( 5.263 -20.651 -0.003) 21.311 28.287 ( 5.263 20.651 -0.003) 21.311 28.569 ( -0.998 -30.285 -1.079) 30.321 28.569 ( -0.998 30.285 -1.079) 30.321 97.259 ( -0.702 -14.252 -0.362) 14.274 97.259 ( -0.702 14.252 -0.362) 14.274 ======================= Grid point 90 (49/413) ======================= q-point: ( 0.46 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.513 -1.223 -0.296) 1.359 1.982 ( 0.513 1.223 -0.296) 1.359 2.386 ( 0.408 -2.195 -0.110) 2.235 2.386 ( 0.408 2.195 -0.110) 2.235 2.996 ( -0.975 -3.492 -0.319) 3.639 2.996 ( -0.975 3.492 -0.319) 3.639 4.183 ( -2.390 -3.969 -1.638) 4.914 4.183 ( -2.390 3.969 -1.638) 4.914 4.901 ( 1.252 -11.168 -0.943) 11.278 4.901 ( 1.252 11.168 -0.943) 11.278 7.366 ( -1.911 -5.986 2.021) 6.600 7.366 ( -1.911 5.986 2.021) 6.600 28.357 ( 2.078 -39.356 -0.002) 39.411 28.357 ( 2.078 39.356 -0.002) 39.411 28.548 ( -0.550 -24.234 -0.388) 24.244 28.548 ( -0.550 24.234 -0.388) 24.244 97.249 ( -0.221 -14.505 -0.121) 14.507 97.249 ( -0.221 14.505 -0.121) 14.507 ======================= Grid point 169 (50/413) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.346 ( -2.585 0.000 16.433) 16.635 0.442 ( 0.120 0.000 20.812) 20.812 0.724 ( 1.135 0.000 34.100) 34.118 2.045 ( 0.124 0.000 -3.558) 3.560 2.460 ( -0.044 0.000 -3.359) 3.360 3.281 ( 0.010 0.000 -2.024) 2.024 3.561 ( 0.666 0.000 -1.103) 1.288 4.077 ( -0.085 0.000 0.814) 0.818 4.533 ( -1.005 0.000 -0.563) 1.152 6.378 ( 1.187 0.000 0.286) 1.221 7.135 ( -1.097 0.000 1.684) 2.009 8.218 ( -0.203 0.000 -2.918) 2.925 24.221 ( 0.070 0.000 0.661) 0.665 27.125 ( 0.036 0.000 0.402) 0.404 28.532 ( -0.037 0.000 0.641) 0.642 33.417 ( 0.147 0.000 -1.699) 1.705 95.664 ( -0.024 0.000 0.047) 0.053 98.961 ( -0.011 0.000 -0.853) 0.853 ======================= Grid point 170 (51/413) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 17.239 0.000 13.101) 21.652 0.725 ( 12.790 0.000 16.147) 20.599 1.105 ( 14.967 0.000 27.693) 31.479 2.111 ( 8.645 0.000 -4.049) 9.546 2.425 ( -0.670 0.000 -4.277) 4.329 3.190 ( -5.820 0.000 -4.219) 7.189 3.702 ( 13.563 0.000 -0.129) 13.564 4.093 ( 1.175 0.000 0.900) 1.480 4.546 ( 2.706 0.000 -0.427) 2.740 6.418 ( 1.336 0.000 0.849) 1.583 7.211 ( 6.214 0.000 -4.608) 7.736 8.111 ( -6.994 0.000 -0.394) 7.005 24.226 ( -0.137 0.000 0.871) 0.882 27.131 ( 0.198 0.000 0.532) 0.568 28.673 ( 10.441 0.000 -5.715) 11.902 33.345 ( -5.453 0.000 -0.604) 5.487 95.664 ( -0.012 0.000 0.032) 0.034 98.740 ( -16.522 0.000 8.806) 18.722 ======================= Grid point 171 (52/413) ======================= q-point: ( 0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 12.377 0.000 16.062) 20.278 1.089 ( 14.560 0.000 12.093) 18.928 1.630 ( 22.534 0.000 15.745) 27.490 2.265 ( 10.146 0.000 -2.333) 10.411 2.377 ( -0.903 0.000 -4.664) 4.750 3.032 ( -6.736 0.000 -6.544) 9.392 4.016 ( 19.352 0.000 -1.868) 19.442 4.132 ( 2.292 0.000 0.842) 2.442 4.627 ( 5.210 0.000 3.923) 6.522 6.437 ( 0.388 0.000 0.457) 0.599 7.261 ( 3.510 0.000 -6.383) 7.284 7.985 ( -6.259 0.000 -0.016) 6.259 24.229 ( -0.320 0.000 0.954) 1.006 27.139 ( 0.270 0.000 0.595) 0.653 28.791 ( 6.910 0.000 -5.213) 8.655 33.221 ( -7.217 0.000 -0.769) 7.258 95.665 ( 0.057 0.000 -0.006) 0.057 98.546 ( -11.533 0.000 7.880) 13.968 ======================= Grid point 172 (53/413) ======================= q-point: ( 0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 10.179 0.000 15.294) 18.372 1.423 ( 12.707 0.000 9.661) 15.963 2.071 ( 15.060 0.000 2.894) 15.336 2.325 ( -0.932 0.000 -4.599) 4.692 2.486 ( 14.194 0.000 3.828) 14.701 2.857 ( -6.523 0.000 -5.985) 8.853 4.187 ( 3.017 0.000 0.738) 3.106 4.308 ( 13.680 0.000 -6.831) 15.290 4.833 ( 11.646 0.000 11.184) 16.146 6.443 ( 1.123 0.000 -2.344) 2.599 7.255 ( 0.708 0.000 -5.801) 5.844 7.884 ( -4.594 0.000 0.238) 4.600 24.228 ( -0.454 0.000 0.871) 0.982 27.149 ( 0.288 0.000 0.550) 0.621 28.866 ( 4.884 0.000 -3.585) 6.058 33.072 ( -7.923 0.000 -0.986) 7.984 95.666 ( 0.111 0.000 -0.031) 0.115 98.408 ( -8.711 0.000 5.349) 10.222 ======================= Grid point 173 (54/413) ======================= q-point: ( 0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 8.838 0.000 11.432) 14.449 1.694 ( 9.549 0.000 8.142) 12.550 2.239 ( 5.122 0.000 -2.590) 5.739 2.277 ( -0.819 0.000 -4.000) 4.083 2.629 ( -3.285 0.000 -8.206) 8.839 2.899 ( 13.506 0.000 9.387) 16.448 4.251 ( 3.193 0.000 0.578) 3.245 4.435 ( 6.009 0.000 -5.282) 8.001 5.171 ( 13.738 0.000 11.521) 17.930 6.447 ( 2.754 0.000 -6.145) 6.734 7.214 ( -1.057 0.000 -3.482) 3.639 7.818 ( -2.867 0.000 0.392) 2.893 24.224 ( -0.517 0.000 0.621) 0.808 27.157 ( 0.233 0.000 0.400) 0.463 28.924 ( 3.596 0.000 -2.195) 4.212 32.923 ( -7.154 0.000 -0.971) 7.220 95.668 ( 0.133 0.000 -0.029) 0.136 98.296 ( -6.697 0.000 3.292) 7.463 ======================= Grid point 174 (55/413) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 5.971 0.000 5.371) 8.031 1.891 ( 5.478 0.000 6.308) 8.354 2.233 ( -0.685 0.000 -2.953) 3.032 2.280 ( 1.403 0.000 -1.784) 2.269 2.503 ( -3.253 0.000 -4.639) 5.666 3.190 ( 9.649 0.000 6.162) 11.449 4.309 ( 2.504 0.000 0.409) 2.537 4.487 ( 2.753 0.000 -1.561) 3.165 5.454 ( 8.131 0.000 8.336) 11.645 6.462 ( 4.249 0.000 -7.789) 8.872 7.179 ( -0.882 0.000 -0.487) 1.008 7.778 ( -1.796 0.000 0.032) 1.797 24.218 ( -0.493 0.000 0.260) 0.557 27.162 ( 0.097 0.000 0.180) 0.205 28.969 ( 2.484 0.000 -1.055) 2.698 32.803 ( -4.860 0.000 -0.793) 4.925 95.670 ( 0.118 0.000 -0.003) 0.118 98.208 ( -4.631 0.000 1.713) 4.938 ======================= Grid point 175 (56/413) ======================= q-point: ( 0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -2.896 0.000 -1.836) 3.429 1.944 ( -0.423 0.000 1.010) 1.095 2.218 ( 1.089 0.000 -0.941) 1.439 2.319 ( 2.968 0.000 3.328) 4.459 2.467 ( 1.331 0.000 -0.227) 1.351 3.319 ( 0.655 0.000 2.259) 2.352 4.343 ( 0.784 0.000 0.171) 0.802 4.526 ( 1.669 0.000 1.497) 2.242 5.578 ( 0.178 0.000 4.661) 4.664 6.483 ( 3.156 0.000 -6.722) 7.426 7.188 ( 1.608 0.000 2.154) 2.688 7.749 ( -1.124 0.000 -0.703) 1.326 24.210 ( -0.377 0.000 -0.111) 0.393 27.163 ( -0.094 0.000 -0.053) 0.107 29.000 ( 1.397 0.000 -0.145) 1.404 32.738 ( -1.456 0.000 -0.554) 1.558 95.672 ( 0.067 0.000 0.038) 0.077 98.151 ( -2.397 0.000 0.501) 2.448 ======================= Grid point 176 (57/413) ======================= q-point: (-0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -10.144 0.000 -5.635) 11.604 1.888 ( -5.695 0.000 -1.011) 5.784 2.258 ( 2.833 0.000 0.666) 2.910 2.389 ( 1.202 0.000 3.174) 3.394 2.560 ( 7.096 0.000 3.240) 7.801 3.245 ( -9.011 0.000 -0.766) 9.044 4.338 ( -1.334 0.000 -0.070) 1.336 4.574 ( 1.503 0.000 3.445) 3.759 5.530 ( -8.158 0.000 2.504) 8.534 6.466 ( -0.154 0.000 -5.790) 5.792 7.275 ( 4.978 0.000 4.489) 6.703 7.725 ( -0.515 0.000 -1.672) 1.749 24.203 ( -0.186 0.000 -0.384) 0.427 27.158 ( -0.280 0.000 -0.233) 0.364 29.018 ( 0.376 0.000 0.525) 0.645 32.743 ( 2.306 0.000 -0.349) 2.333 95.673 ( -0.006 0.000 0.075) 0.076 98.127 ( -0.226 0.000 -0.425) 0.482 ======================= Grid point 177 (58/413) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -13.712 0.000 -5.932) 14.940 1.730 ( -10.072 0.000 -1.700) 10.214 2.319 ( 2.955 0.000 0.954) 3.105 2.419 ( -0.107 0.000 2.806) 2.808 2.731 ( 7.437 0.000 2.584) 7.873 2.987 ( -16.678 0.000 -1.718) 16.766 4.297 ( -2.853 0.000 -0.167) 2.858 4.626 ( 0.958 0.000 3.966) 4.080 5.313 ( -16.633 0.000 1.596) 16.709 6.405 ( -1.777 0.000 -4.895) 5.208 7.423 ( 6.337 0.000 6.251) 8.901 7.705 ( 0.147 0.000 -3.106) 3.110 24.199 ( 0.038 0.000 -0.490) 0.492 27.150 ( -0.400 0.000 -0.311) 0.507 29.023 ( -0.455 0.000 0.943) 1.047 32.815 ( 5.543 0.000 -0.258) 5.549 95.673 ( -0.082 0.000 0.095) 0.126 98.134 ( 1.536 0.000 -1.080) 1.878 ======================= Grid point 178 (59/413) ======================= q-point: (-0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -15.810 0.000 -4.991) 16.579 1.493 ( -14.098 0.000 -1.522) 14.180 2.378 ( 2.517 0.000 0.780) 2.635 2.418 ( -4.789 0.000 4.829) 6.801 2.537 ( -21.184 0.000 -5.994) 22.016 2.943 ( 7.444 0.000 3.112) 8.068 4.236 ( -3.466 0.000 -0.131) 3.469 4.657 ( -0.466 0.000 2.786) 2.825 4.945 ( -23.693 0.000 1.022) 23.715 6.348 ( -1.060 0.000 -2.645) 2.849 7.579 ( 3.673 0.000 8.475) 9.237 7.690 ( 2.643 0.000 -6.331) 6.860 24.198 ( 0.236 0.000 -0.422) 0.484 27.140 ( -0.421 0.000 -0.273) 0.502 29.016 ( -0.951 0.000 1.025) 1.398 32.936 ( 7.496 0.000 -0.312) 7.503 95.672 ( -0.138 0.000 0.088) 0.164 98.165 ( 2.579 0.000 -1.277) 2.878 ======================= Grid point 179 (60/413) ======================= q-point: (-0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -16.603 0.000 -1.595) 16.679 1.189 ( -17.758 0.000 -0.284) 17.760 1.976 ( -31.551 0.000 -0.217) 31.552 2.403 ( -3.084 0.000 0.324) 3.101 2.427 ( 1.938 0.000 0.133) 1.943 3.095 ( 6.900 0.000 0.809) 6.947 4.171 ( -3.294 0.000 -0.018) 3.294 4.471 ( -26.285 0.000 -0.384) 26.288 4.649 ( -2.426 0.000 1.602) 2.908 6.334 ( 0.375 0.000 0.649) 0.749 7.618 ( -1.787 0.000 0.417) 1.836 7.765 ( 6.747 0.000 -0.365) 6.756 24.201 ( 0.351 0.000 -0.218) 0.413 27.131 ( -0.356 0.000 -0.132) 0.379 29.003 ( -1.066 0.000 0.253) 1.096 33.078 ( 7.751 0.000 -0.385) 7.761 95.669 ( -0.160 0.000 0.054) 0.169 98.209 ( 2.793 0.000 -0.176) 2.798 ======================= Grid point 180 (61/413) ======================= q-point: (-0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -15.191 0.000 7.790) 17.072 0.841 ( -20.341 0.000 3.057) 20.569 1.365 ( -34.587 0.000 2.830) 34.703 2.310 ( -7.056 0.000 -0.001) 7.056 2.459 ( 1.614 0.000 -0.842) 1.820 3.202 ( 4.923 0.000 -1.880) 5.270 4.002 ( -22.272 0.000 -0.360) 22.274 4.118 ( -2.627 0.000 0.297) 2.644 4.605 ( -2.686 0.000 0.109) 2.688 6.363 ( 0.873 0.000 3.075) 3.197 7.557 ( -2.337 0.000 -8.136) 8.465 7.892 ( 5.360 0.000 5.005) 7.333 24.207 ( 0.353 0.000 0.064) 0.359 27.125 ( -0.237 0.000 0.072) 0.247 28.971 ( -1.645 0.000 -3.684) 4.035 33.210 ( 6.503 0.000 0.140) 6.504 95.667 ( -0.143 0.000 0.005) 0.143 98.278 ( 3.417 0.000 5.647) 6.600 ======================= Grid point 181 (62/413) ======================= q-point: (-0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -9.615 0.000 20.355) 22.511 0.516 ( -18.367 0.000 11.641) 21.745 0.781 ( -31.218 0.000 13.478) 34.003 2.154 ( -8.060 0.000 -1.759) 8.250 2.472 ( 0.843 0.000 -2.079) 2.243 3.253 ( 2.988 0.000 -3.204) 4.381 3.679 ( -11.782 0.000 -0.170) 11.783 4.085 ( -1.335 0.000 0.558) 1.447 4.563 ( -1.796 0.000 0.329) 1.826 6.391 ( -0.579 0.000 1.740) 1.834 7.363 ( -10.792 0.000 -14.925) 18.418 8.070 ( 9.325 0.000 8.095) 12.349 24.214 ( 0.249 0.000 0.374) 0.449 27.123 ( -0.108 0.000 0.264) 0.286 28.816 ( -11.437 0.000 -14.282) 18.297 33.330 ( 6.091 0.000 2.079) 6.436 95.665 ( -0.072 0.000 0.012) 0.073 98.525 ( 17.626 0.000 21.587) 27.869 ======================= Grid point 182 (63/413) ======================= q-point: ( 0.00 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 3.787 10.599 13.077) 17.254 0.572 ( -2.255 17.724 9.912) 20.432 1.050 ( -0.534 24.547 25.652) 35.508 2.085 ( -0.033 3.778 -3.412) 5.090 2.496 ( 0.018 2.924 -3.080) 4.246 3.219 ( -0.345 -4.122 -3.151) 5.200 3.577 ( 1.057 1.657 -1.108) 2.257 4.338 ( 0.169 12.332 -7.259) 14.310 4.530 ( -1.045 -0.273 -0.635) 1.253 6.046 ( 0.849 -17.050 5.730) 18.007 7.173 ( -1.021 5.270 -11.739) 12.908 8.374 ( -0.086 5.970 8.568) 10.443 24.537 ( 0.044 22.741 -8.430) 24.253 27.144 ( 0.010 1.920 0.409) 1.963 28.506 ( 0.008 -2.582 0.620) 2.655 33.200 ( 0.137 -19.406 0.620) 19.416 96.158 ( -0.044 28.994 -25.237) 38.439 98.672 ( 0.007 -19.262 13.068) 23.277 ======================= Grid point 183 (64/413) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 10.509 2.676 14.839) 18.379 0.808 ( 12.707 11.353 11.741) 20.693 1.355 ( 12.874 20.079 22.375) 32.705 2.137 ( 7.505 2.601 -3.848) 8.826 2.458 ( -0.997 2.945 -4.322) 5.325 3.147 ( -4.376 -3.586 -4.342) 7.132 3.710 ( 13.126 1.107 -0.335) 13.177 4.277 ( -1.430 13.118 -3.044) 13.542 4.526 ( 1.485 -1.943 0.057) 2.447 6.189 ( 8.315 -17.934 -0.477) 19.774 7.140 ( 3.248 -0.243 -6.526) 7.294 8.307 ( -9.575 11.046 4.970) 15.440 24.457 ( -2.599 20.501 -2.765) 20.849 27.151 ( 0.396 2.076 0.530) 2.178 28.617 ( 8.959 -4.822 -2.908) 10.582 33.158 ( -4.344 -18.213 -0.338) 18.727 95.950 ( -5.423 22.306 -10.150) 25.100 98.611 ( -11.155 -11.150 9.908) 18.626 ======================= Grid point 184 (65/413) ======================= q-point: ( 0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 13.202 -2.244 13.048) 18.698 1.138 ( 12.639 7.115 13.547) 19.847 1.795 ( 18.645 14.100 14.095) 27.297 2.268 ( 8.180 0.250 -2.279) 8.495 2.408 ( -0.131 2.994 -4.960) 5.795 3.009 ( -6.046 -2.054 -6.046) 8.793 4.016 ( 18.911 0.471 -1.881) 19.010 4.255 ( 0.594 10.002 -1.008) 10.071 4.589 ( 4.110 -3.662 3.936) 6.767 6.299 ( 5.428 -13.068 -3.833) 14.661 7.163 ( 2.907 -3.989 -4.435) 6.636 8.150 ( -9.946 10.953 3.243) 15.146 24.410 ( -1.538 17.457 -0.315) 17.527 27.165 ( 0.665 2.625 0.589) 2.771 28.743 ( 7.203 -4.391 -3.760) 9.236 33.049 ( -6.641 -17.110 -0.865) 18.374 95.830 ( -2.845 14.776 -3.309) 15.407 98.476 ( -9.688 -6.589 7.406) 13.861 ======================= Grid point 185 (66/413) ======================= q-point: ( 0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 11.226 -2.622 11.474) 16.265 1.460 ( 11.632 4.485 12.221) 17.458 2.164 ( 12.183 8.295 2.358) 14.926 2.317 ( -0.642 -0.965 -4.201) 4.358 2.509 ( 13.419 2.470 3.336) 14.046 2.847 ( -6.379 -0.805 -5.639) 8.552 4.244 ( 3.582 4.390 -1.119) 5.776 4.330 ( 11.260 2.558 -5.780) 12.913 4.774 ( 10.940 -5.596 10.886) 16.416 6.352 ( 4.734 -9.209 -6.669) 12.316 7.171 ( 0.545 -4.755 -2.433) 5.369 7.998 ( -8.207 8.219 1.877) 11.765 24.387 ( -1.026 15.699 0.295) 15.735 27.183 ( 0.792 3.458 0.551) 3.590 28.835 ( 5.453 -3.011 -2.931) 6.884 32.908 ( -7.498 -16.351 -1.089) 18.021 95.778 ( -1.248 10.638 -1.224) 10.781 98.359 ( -7.825 -4.789 4.962) 10.430 ======================= Grid point 186 (67/413) ======================= q-point: ( 0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 9.317 -2.751 8.932) 13.197 1.733 ( 8.939 3.263 9.598) 13.515 2.261 ( -1.083 -1.032 -3.884) 4.163 2.304 ( 4.454 5.367 -3.134) 7.646 2.658 ( -4.086 2.584 -6.311) 7.949 2.874 ( 13.560 -2.035 7.952) 15.851 4.284 ( 1.893 2.789 0.223) 3.379 4.444 ( 5.565 0.772 -4.838) 7.414 5.102 ( 13.698 -6.592 10.656) 18.565 6.390 ( 5.887 -6.068 -9.311) 12.577 7.148 ( -1.889 -4.754 -0.158) 5.118 7.877 ( -5.887 4.491 1.009) 7.473 24.373 ( -0.787 14.778 0.324) 14.802 27.201 ( 0.729 4.395 0.415) 4.474 28.906 ( 4.114 -1.747 -1.898) 4.855 32.765 ( -6.812 -15.723 -1.042) 17.167 95.757 ( -0.493 8.643 -0.505) 8.672 98.258 ( -6.143 -3.778 3.056) 7.832 ======================= Grid point 187 (68/413) ======================= q-point: ( 0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.669 -2.659 5.598) 9.104 1.915 ( 4.017 1.602 5.128) 6.708 2.221 ( 0.402 -0.958 -3.419) 3.573 2.332 ( 0.970 4.864 -2.057) 5.369 2.541 ( -3.714 3.320 -2.303) 5.488 3.150 ( 9.485 -3.676 4.905) 11.293 4.319 ( 1.479 0.660 0.396) 1.668 4.493 ( 2.560 0.480 -1.332) 2.926 5.381 ( 8.448 -7.066 7.431) 13.286 6.442 ( 7.124 -2.556 -9.663) 12.274 7.108 ( -2.748 -5.922 1.969) 6.818 7.793 ( -3.749 1.065 0.253) 3.905 24.362 ( -0.586 14.349 0.130) 14.362 27.215 ( 0.461 5.212 0.210) 5.237 28.960 ( 2.817 -0.847 -0.946) 3.090 32.650 ( -4.623 -15.228 -0.823) 15.936 95.749 ( -0.133 7.741 -0.203) 7.745 98.177 ( -4.276 -3.093 1.601) 5.515 ======================= Grid point 188 (69/413) ======================= q-point: ( 0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -2.654 -1.387 -1.545) 3.369 1.935 ( 0.154 -0.546 1.798) 1.886 2.222 ( 1.034 0.849 -3.121) 3.396 2.362 ( 3.415 3.334 3.683) 6.029 2.501 ( -0.301 3.459 0.883) 3.583 3.275 ( 1.187 -4.080 1.713) 4.581 4.339 ( 0.362 -0.605 0.170) 0.725 4.529 ( 1.457 0.190 1.383) 2.017 5.509 ( 0.789 -6.710 4.258) 7.986 6.500 ( 5.166 1.117 -7.844) 9.458 7.093 ( -0.403 -8.738 3.668) 9.485 7.740 ( -1.906 -1.015 -0.633) 2.251 24.353 ( -0.335 14.271 -0.118) 14.276 27.220 ( 0.037 5.699 -0.009) 5.699 28.996 ( 1.459 -0.454 -0.156) 1.536 32.588 ( -1.350 -14.919 -0.544) 14.990 95.748 ( 0.062 7.446 -0.042) 7.446 98.124 ( -2.219 -2.659 0.485) 3.498 ======================= Grid point 189 (70/413) ======================= q-point: (-0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -9.410 -0.090 -4.878) 10.600 1.900 ( -5.536 0.953 -0.586) 5.648 2.233 ( 2.192 -1.274 -0.982) 2.718 2.460 ( 1.636 5.551 3.985) 7.027 2.559 ( 6.022 0.024 3.027) 6.740 3.216 ( -7.847 -2.747 -0.764) 8.349 4.334 ( -0.831 -0.524 -0.065) 0.985 4.570 ( 1.156 -0.497 3.006) 3.259 5.471 ( -7.549 -5.695 2.589) 9.805 6.499 ( 0.165 3.031 -6.165) 6.872 7.161 ( 4.237 -10.936 5.082) 12.782 7.711 ( -0.274 -1.437 -1.746) 2.278 24.349 ( -0.016 14.485 -0.303) 14.488 27.216 ( -0.420 5.725 -0.175) 5.743 29.012 ( 0.113 -0.663 0.426) 0.796 32.594 ( 2.267 -14.839 -0.306) 15.014 95.751 ( 0.248 7.618 0.071) 7.622 98.102 ( -0.215 -2.478 -0.370) 2.514 ======================= Grid point 190 (71/413) ======================= q-point: (-0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -12.784 1.819 -5.307) 13.961 1.738 ( -10.619 0.760 -1.748) 10.789 2.279 ( 2.752 -2.484 0.159) 3.711 2.494 ( -0.121 5.741 3.052) 6.502 2.720 ( 7.308 -0.994 2.773) 7.879 2.984 ( -15.152 -0.171 -1.669) 15.245 4.312 ( -1.328 1.315 -0.025) 1.869 4.610 ( 0.518 -1.631 3.243) 3.667 5.268 ( -16.009 -4.361 2.001) 16.712 6.433 ( -2.420 2.645 -4.684) 5.898 7.308 ( 6.543 -11.118 6.320) 14.365 7.700 ( 0.919 -0.604 -3.372) 3.547 24.349 ( 0.369 14.979 -0.360) 14.988 27.203 ( -0.772 5.291 -0.244) 5.352 29.007 ( -1.079 -1.527 0.774) 2.024 32.665 ( 5.369 -14.998 -0.197) 15.932 95.759 ( 0.606 8.385 0.172) 8.409 98.109 ( 1.410 -2.531 -0.978) 3.057 ======================= Grid point 191 (72/413) ======================= q-point: (-0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( -14.529 4.178 -4.569) 15.794 1.489 ( -14.707 -0.148 -1.596) 14.794 2.328 ( 2.077 -2.698 0.447) 3.434 2.496 ( -5.330 5.469 4.614) 8.922 2.577 ( -17.544 3.755 -5.332) 18.717 2.926 ( 7.039 -1.657 2.922) 7.800 4.289 ( -1.088 4.782 0.114) 4.905 4.625 ( -1.203 -3.354 1.575) 3.896 4.919 ( -22.529 -2.189 2.049) 22.728 6.361 ( -2.279 1.192 -2.386) 3.508 7.481 ( 6.211 -9.894 8.168) 14.254 7.690 ( 1.652 0.390 -6.377) 6.599 24.358 ( 0.856 15.826 -0.284) 15.852 27.185 ( -0.929 4.520 -0.202) 4.619 28.984 ( -2.040 -3.104 0.807) 3.801 32.782 ( 7.223 -15.369 -0.249) 16.984 95.779 ( 1.479 10.215 0.253) 10.325 98.137 ( 2.369 -2.763 -1.159) 3.819 ======================= Grid point 192 (73/413) ======================= q-point: (-0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -14.598 7.117 -2.091) 16.375 1.177 ( -17.941 -0.183 0.098) 17.942 2.075 ( -27.856 8.979 -0.183) 29.268 2.354 ( 0.035 -2.307 0.126) 2.311 2.505 ( -0.923 5.120 0.294) 5.211 3.073 ( 6.697 -2.224 0.794) 7.101 4.275 ( -0.644 8.706 -0.491) 8.743 4.446 ( -22.722 -2.775 -0.461) 22.895 4.628 ( -4.848 -1.220 2.251) 5.483 6.317 ( -1.839 -1.586 0.457) 2.471 7.644 ( 0.433 0.232 7.540) 7.556 7.672 ( 6.410 -6.535 -7.432) 11.791 24.379 ( 1.662 17.282 -0.158) 17.362 27.167 ( -0.879 3.608 -0.069) 3.715 28.942 ( -3.020 -5.586 0.147) 6.352 32.919 ( 7.446 -15.871 -0.351) 17.534 95.826 ( 3.758 14.157 0.098) 14.648 98.178 ( 2.569 -3.100 -0.155) 4.029 ======================= Grid point 193 (74/413) ======================= q-point: (-0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -13.438 8.637 2.175) 16.122 0.851 ( -17.893 4.312 5.280) 19.147 1.550 ( -28.817 15.569 3.055) 32.896 2.311 ( -5.100 0.069 -0.095) 5.101 2.496 ( 0.414 3.498 -0.884) 3.632 3.177 ( 4.808 -2.481 -1.850) 5.718 3.997 ( -20.894 -0.154 -1.276) 20.934 4.295 ( 1.188 13.572 0.308) 13.628 4.568 ( -3.055 -3.142 0.323) 4.394 6.280 ( -4.062 -6.853 2.038) 8.223 7.563 ( -1.334 0.560 -16.507) 16.571 7.864 ( 7.162 -2.066 14.824) 16.593 24.423 ( 3.584 19.843 -0.471) 20.170 27.153 ( -0.665 2.763 0.114) 2.844 28.861 ( -5.513 -9.120 -2.232) 10.888 33.045 ( 6.173 -16.444 -0.056) 17.564 95.939 ( 9.804 21.729 -2.142) 23.935 98.240 ( 2.942 -3.757 4.714) 6.708 ======================= Grid point 194 (75/413) ======================= q-point: (-0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -10.503 8.129 7.304) 15.157 0.654 ( -10.495 14.379 11.729) 21.318 1.110 ( -21.810 23.567 12.835) 34.581 2.181 ( -6.944 2.549 -1.765) 7.605 2.502 ( 0.992 2.731 -1.803) 3.420 3.222 ( 2.462 -2.788 -3.878) 5.374 3.683 ( -11.340 1.039 -0.871) 11.421 4.337 ( 4.083 14.269 -4.311) 15.455 4.534 ( -0.859 -2.405 1.494) 2.959 6.158 ( -11.004 -13.918 2.294) 17.890 7.361 ( -4.984 2.689 -20.359) 21.132 8.153 ( 10.416 3.168 17.449) 20.566 24.508 ( 6.751 22.627 -4.150) 23.975 27.145 ( -0.359 2.155 0.282) 2.203 28.674 ( -11.781 -9.313 -4.623) 15.713 33.146 ( 4.244 -17.682 1.109) 18.218 96.148 ( 16.985 29.232 -16.148) 37.467 98.411 ( 8.790 -8.909 16.723) 20.887 ======================= Grid point 195 (76/413) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 3.181 19.703 -0.109) 19.959 0.950 ( -1.118 19.163 5.588) 19.992 1.570 ( -0.922 26.412 20.120) 33.215 2.178 ( -0.061 4.944 -2.952) 5.759 2.568 ( 0.177 4.172 -3.430) 5.403 3.128 ( -0.396 -5.037 -4.679) 6.887 3.631 ( 1.195 3.915 -1.163) 4.255 4.428 ( 0.401 -0.977 0.891) 1.382 4.520 ( -1.462 -0.789 -0.826) 1.856 5.862 ( 0.770 -3.917 -7.792) 8.755 7.326 ( -1.052 9.390 -13.988) 16.880 8.410 ( 0.087 -0.975 18.502) 18.528 25.042 ( 0.007 28.802 -5.667) 29.354 27.201 ( -0.049 3.856 0.419) 3.879 28.430 ( 0.068 -5.000 0.569) 5.032 32.675 ( 0.111 -33.183 -0.233) 33.184 96.575 ( -0.030 14.562 -19.704) 24.501 98.343 ( 0.018 -14.220 11.168) 18.081 ======================= Grid point 196 (77/413) ======================= q-point: ( 0.08 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 3.684 13.596 6.425) 15.482 1.093 ( 8.778 16.173 7.578) 19.901 1.795 ( 8.789 22.854 18.237) 30.531 2.203 ( 4.734 3.619 -3.301) 6.812 2.529 ( -0.790 3.969 -5.113) 6.521 3.064 ( -2.899 -4.452 -4.495) 6.959 3.751 ( 12.042 3.142 -0.682) 12.463 4.441 ( 0.584 0.107 -0.121) 0.606 4.495 ( -0.476 1.433 -1.193) 1.924 5.897 ( 8.734 -10.154 -9.639) 16.501 7.232 ( -1.140 8.174 -6.416) 10.453 8.433 ( -8.868 2.086 12.784) 15.698 24.967 ( -3.222 30.081 -4.024) 30.519 27.213 ( 0.959 4.161 0.513) 4.301 28.505 ( 6.618 -6.240 -0.478) 9.108 32.643 ( -3.137 -33.043 -0.789) 33.201 96.365 ( -7.044 17.990 -13.618) 23.637 98.361 ( -5.101 -13.084 8.470) 16.400 ======================= Grid point 197 (78/413) ======================= q-point: ( 0.15 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 9.714 5.393 9.084) 14.352 1.335 ( 9.768 12.116 10.531) 18.792 2.115 ( 12.617 16.814 11.741) 24.078 2.274 ( 4.113 0.382 -2.309) 4.733 2.485 ( 1.325 4.266 -5.793) 7.316 2.960 ( -4.593 -2.560 -4.525) 6.937 4.036 ( 18.143 1.502 -1.642) 18.279 4.434 ( -0.742 5.346 -2.224) 5.837 4.504 ( 1.759 -3.141 2.801) 4.561 6.004 ( 10.325 -14.473 -11.668) 21.265 7.183 ( -1.663 5.280 -0.708) 5.580 8.306 ( -12.192 4.241 8.491) 15.451 24.888 ( -2.781 29.795 -1.891) 29.984 27.243 ( 1.760 5.145 0.572) 5.468 28.633 ( 7.522 -6.363 -1.572) 9.976 32.554 ( -5.450 -32.190 -1.247) 32.672 96.169 ( -5.747 17.748 -6.739) 19.835 98.303 ( -6.262 -10.360 5.909) 13.471 ======================= Grid point 198 (79/413) ======================= q-point: ( 0.23 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 10.928 0.712 8.779) 14.036 1.593 ( 9.249 8.507 10.961) 16.675 2.281 ( -0.547 -1.929 -3.439) 3.980 2.359 ( 7.016 9.575 -0.571) 11.884 2.580 ( 11.151 4.342 2.995) 12.336 2.836 ( -5.167 0.122 -3.892) 6.470 4.307 ( 9.717 1.903 -4.647) 10.938 4.408 ( 1.522 3.800 -3.113) 5.142 4.636 ( 9.238 -7.293 9.075) 14.862 6.102 ( 10.136 -14.803 -13.532) 22.471 7.148 ( -3.282 2.603 3.007) 5.157 8.127 ( -12.000 3.983 5.237) 13.685 24.835 ( -1.915 28.781 -0.795) 28.856 27.284 ( 2.181 6.621 0.557) 6.994 28.754 ( 6.688 -4.991 -1.659) 8.509 32.432 ( -6.411 -31.134 -1.389) 31.818 96.052 ( -3.298 15.875 -3.080) 16.504 98.225 ( -5.781 -8.405 3.923) 10.930 ======================= Grid point 199 (80/413) ======================= q-point: ( 0.31 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 9.626 -0.941 7.151) 12.028 1.821 ( 7.026 5.461 8.812) 12.524 2.227 ( -0.929 -2.198 -5.220) 5.740 2.436 ( 3.408 7.152 -2.311) 8.253 2.698 ( -5.091 0.427 -1.124) 5.231 2.858 ( 11.910 1.683 2.970) 12.390 4.334 ( -0.699 1.595 -0.642) 1.856 4.457 ( 4.135 0.287 -3.460) 5.400 4.932 ( 13.473 -9.709 7.664) 18.290 6.195 ( 10.928 -13.531 -14.074) 22.374 7.097 ( -5.506 0.547 5.131) 7.546 7.949 ( -10.062 2.091 2.842) 10.663 24.802 ( -1.272 27.955 -0.337) 27.986 27.329 ( 2.093 8.267 0.455) 8.540 28.856 ( 5.366 -3.316 -1.247) 6.430 32.305 ( -5.892 -30.105 -1.242) 30.701 95.992 ( -1.622 14.354 -1.402) 14.513 98.149 ( -4.749 -6.984 2.425) 8.787 ======================= Grid point 200 (81/413) ======================= q-point: ( 0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 7.119 -1.421 4.892) 8.754 1.952 ( 1.271 2.134 3.620) 4.390 2.203 ( 2.719 -0.730 -3.665) 4.622 2.451 ( -0.354 6.478 -2.195) 6.849 2.611 ( -3.590 3.097 2.060) 5.170 3.071 ( 8.391 -3.421 1.501) 9.185 4.318 ( -0.727 -1.048 0.245) 1.299 4.498 ( 2.003 -0.269 -0.671) 2.130 5.192 ( 9.034 -11.215 4.846) 15.194 6.313 ( 12.169 -11.649 -12.409) 20.922 7.018 ( -7.316 -1.372 6.065) 9.601 7.802 ( -7.102 -0.409 1.099) 7.198 24.782 ( -0.741 27.524 -0.175) 27.535 27.365 ( 1.456 9.690 0.282) 9.803 28.933 ( 3.651 -2.000 -0.693) 4.220 32.204 ( -3.977 -29.262 -0.909) 29.545 95.965 ( -0.617 13.499 -0.627) 13.528 98.087 ( -3.355 -5.924 1.294) 6.930 ======================= Grid point 201 (82/413) ======================= q-point: ( 0.46 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 0.442 -1.185 -0.170) 1.277 1.934 ( -1.904 0.437 1.418) 2.414 2.246 ( 2.447 1.213 -4.277) 5.074 2.430 ( 0.646 3.260 2.314) 4.050 2.595 ( -0.960 5.595 3.488) 6.663 3.178 ( 2.282 -5.036 0.104) 5.530 4.309 ( -0.419 -2.515 0.237) 2.561 4.526 ( 0.930 -0.714 1.179) 1.663 5.326 ( 2.184 -11.216 3.072) 11.832 6.456 ( 11.298 -8.716 -9.869) 17.350 6.924 ( -7.072 -4.632 6.581) 10.713 7.706 ( -3.500 -2.356 -0.321) 4.231 24.772 ( -0.210 27.492 -0.126) 27.493 27.384 ( 0.394 10.525 0.093) 10.533 28.979 ( 1.621 -1.396 -0.179) 2.147 32.151 ( -1.062 -28.732 -0.515) 28.756 95.957 ( 0.064 13.198 -0.228) 13.200 98.046 ( -1.752 -5.229 0.432) 5.532 ======================= Grid point 202 (83/413) ======================= q-point: (-0.46 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -7.799 1.366 -3.398) 8.616 1.917 ( -4.407 0.755 0.351) 4.485 2.225 ( 0.473 0.391 -3.493) 3.547 2.531 ( 5.870 0.248 4.490) 7.394 2.610 ( -0.001 6.131 3.133) 6.885 3.151 ( -4.873 -3.305 -0.987) 5.970 4.310 ( 0.445 -2.071 0.204) 2.128 4.550 ( 0.301 -1.585 2.015) 2.582 5.314 ( -5.755 -9.734 2.635) 11.611 6.543 ( 3.200 -2.170 -7.185) 8.159 6.896 ( 0.407 -11.869 6.394) 13.487 7.668 ( 0.062 -2.909 -1.737) 3.389 24.772 ( 0.372 27.813 -0.096) 27.816 27.380 ( -0.803 10.552 -0.044) 10.583 28.989 ( -0.523 -1.685 0.196) 1.775 32.159 ( 2.163 -28.588 -0.187) 28.671 95.964 ( 0.766 13.384 0.042) 13.406 98.029 ( -0.180 -4.931 -0.237) 4.940 ======================= Grid point 203 (84/413) ======================= q-point: (-0.38 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -10.459 4.273 -3.313) 11.774 1.761 ( -10.837 1.727 -2.411) 11.236 2.239 ( 2.371 -1.491 -1.069) 2.998 2.617 ( -0.338 5.982 3.663) 7.022 2.696 ( 6.687 -1.056 2.865) 7.351 2.986 ( -11.425 0.468 -1.780) 11.573 4.335 ( 2.044 0.628 0.611) 2.224 4.560 ( -0.837 -3.274 1.544) 3.716 5.152 ( -13.565 -6.890 2.916) 15.491 6.483 ( -4.064 0.420 -3.454) 5.350 7.024 ( 7.751 -14.987 4.927) 17.577 7.675 ( 2.460 -1.970 -3.346) 4.596 24.785 ( 1.046 28.432 -0.040) 28.451 27.355 ( -1.789 9.778 -0.087) 9.941 28.963 ( -2.544 -2.904 0.387) 3.880 32.225 ( 4.894 -28.857 -0.028) 29.269 95.989 ( 1.898 14.137 0.292) 14.267 98.034 ( 1.088 -5.009 -0.721) 5.177 ======================= Grid point 204 (85/413) ======================= q-point: (-0.31 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -11.144 8.480 -2.692) 14.260 1.505 ( -14.265 2.273 -2.580) 14.674 2.281 ( 2.427 -1.992 -0.343) 3.159 2.618 ( -5.036 6.596 4.377) 9.382 2.673 ( -12.216 5.478 -3.619) 13.868 2.879 ( 5.639 -2.933 2.075) 6.686 4.392 ( 3.281 4.671 0.631) 5.743 4.526 ( -4.043 -6.144 -0.456) 7.369 4.875 ( -17.849 -2.081 3.871) 18.382 6.376 ( -5.267 -0.903 -1.272) 5.493 7.225 ( 9.699 -13.815 5.117) 17.638 7.699 ( 3.008 0.104 -4.834) 5.694 24.812 ( 1.921 29.289 0.025) 29.352 27.316 ( -2.318 8.421 -0.033) 8.734 28.902 ( -4.325 -4.942 0.342) 6.577 32.333 ( 6.478 -29.496 -0.081) 30.199 96.045 ( 4.060 15.614 0.483) 16.141 98.056 ( 1.831 -5.374 -0.866) 5.743 ======================= Grid point 205 (86/413) ======================= q-point: (-0.23 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -10.357 13.007 -4.354) 17.188 1.225 ( -14.235 5.664 2.201) 15.478 2.288 ( -19.386 10.422 -0.391) 22.013 2.319 ( -0.770 -0.242 0.267) 0.850 2.618 ( -1.482 6.176 0.312) 6.359 3.008 ( 6.144 -4.152 0.748) 7.453 4.328 ( -14.178 -5.526 -4.088) 15.756 4.475 ( 2.163 7.250 2.741) 8.047 4.625 ( -10.133 0.866 3.040) 10.615 6.270 ( -5.842 -3.700 -0.127) 6.916 7.451 ( 11.232 -10.923 1.720) 15.761 7.715 ( 1.733 3.149 -1.512) 3.900 24.859 ( 3.232 30.241 -0.031) 30.413 27.272 ( -2.314 6.819 0.082) 7.202 28.807 ( -6.054 -7.428 -0.067) 9.583 32.455 ( 6.605 -30.373 -0.262) 31.084 96.157 ( 8.118 17.630 0.104) 19.410 98.088 ( 1.993 -5.909 -0.104) 6.237 ======================= Grid point 206 (87/413) ======================= q-point: (-0.15 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -9.023 14.729 -5.897) 18.252 1.058 ( -8.365 15.134 8.255) 19.161 1.896 ( -21.441 18.021 3.433) 28.218 2.312 ( -1.946 -0.031 -0.320) 1.972 2.590 ( -0.903 5.665 -1.193) 5.859 3.106 ( 4.452 -4.611 -1.607) 6.608 3.992 ( -17.024 -0.427 -1.963) 17.142 4.499 ( -4.294 0.132 -0.198) 4.301 4.536 ( 0.799 5.956 1.763) 6.263 6.144 ( -7.446 -6.383 -1.217) 9.883 7.562 ( 5.816 -1.100 -19.832) 20.697 7.846 ( 6.580 0.817 21.149) 22.165 24.934 ( 5.065 30.665 -0.747) 31.090 27.234 ( -1.840 5.333 0.217) 5.645 28.673 ( -8.015 -9.118 -0.817) 12.167 32.566 ( 5.377 -31.328 -0.329) 31.788 96.353 ( 13.848 18.290 -3.134) 23.154 98.133 ( 2.063 -6.774 3.038) 7.705 ======================= Grid point 207 (88/413) ======================= q-point: (-0.08 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -0.212 20.100 -3.507) 20.405 0.996 ( -5.714 18.727 7.427) 20.941 1.596 ( -14.905 24.313 12.025) 30.950 2.242 ( -4.132 3.089 -1.590) 5.399 2.577 ( 0.705 4.690 -2.279) 5.261 3.146 ( 2.060 -4.825 -4.053) 6.630 3.723 ( -9.752 2.943 -1.366) 10.277 4.434 ( -1.949 -2.334 0.004) 3.041 4.548 ( -0.884 3.047 0.590) 3.227 5.979 ( -7.177 -5.152 -4.799) 10.054 7.461 ( 0.548 6.389 -20.265) 21.256 8.167 ( 8.277 -0.822 23.289) 24.730 25.022 ( 5.193 29.400 -3.287) 30.035 27.209 ( -1.037 4.271 0.329) 4.407 28.511 ( -7.782 -7.415 -0.659) 10.769 32.645 ( 3.164 -32.343 -0.140) 32.498 96.572 ( 13.273 14.813 -13.144) 23.841 98.224 ( 3.031 -9.708 9.296) 13.779 ======================= Grid point 208 (89/413) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 2.779 21.290 -6.458) 22.421 1.316 ( -1.200 17.331 3.544) 17.730 2.067 ( -0.812 22.822 16.938) 28.432 2.260 ( 0.049 2.912 -2.093) 3.587 2.650 ( 0.336 3.416 -6.194) 7.081 3.030 ( -0.284 -4.166 -3.132) 5.220 3.736 ( 1.360 6.555 -1.355) 6.830 4.394 ( -0.048 -0.794 2.490) 2.613 4.495 ( -1.708 -1.794 -1.071) 2.698 5.791 ( 1.017 -4.842 -12.605) 13.541 7.527 ( -1.109 10.458 -9.780) 14.361 8.369 ( 0.219 -2.702 19.525) 19.712 25.705 ( -0.034 37.963 -3.543) 38.128 27.297 ( -0.103 5.764 0.419) 5.781 28.309 ( 0.117 -7.080 0.514) 7.099 31.891 ( 0.074 -45.019 -1.141) 45.033 96.807 ( 0.016 9.869 -11.599) 15.230 98.080 ( 0.016 -12.582 6.263) 14.055 ======================= Grid point 209 (90/413) ======================= q-point: ( 0.08 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.350 17.587 -0.907) 17.614 1.422 ( 6.920 16.370 4.050) 18.228 2.218 ( 3.667 14.805 10.216) 18.357 2.276 ( 3.046 7.340 2.701) 8.393 2.600 ( -0.033 2.389 -7.877) 8.231 2.988 ( -1.925 -2.366 -2.476) 3.928 3.836 ( 10.098 5.418 -0.910) 11.496 4.396 ( -0.542 -1.872 0.669) 2.060 4.512 ( 2.930 -0.816 -1.225) 3.278 5.741 ( 4.473 -7.340 -15.048) 17.330 7.430 ( -3.963 11.140 -3.214) 12.253 8.424 ( -7.651 -2.328 15.479) 17.423 25.652 ( -2.477 38.778 -3.479) 39.012 27.316 ( 1.787 6.168 0.488) 6.440 28.369 ( 5.459 -7.462 0.265) 9.250 31.860 ( -2.319 -44.958 -1.541) 45.044 96.670 ( -5.091 13.227 -10.231) 17.479 98.101 ( -2.304 -13.000 5.351) 14.246 ======================= Grid point 210 (91/413) ======================= q-point: ( 0.15 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 4.667 11.937 3.130) 13.193 1.597 ( 7.460 13.634 6.665) 16.910 2.261 ( 0.757 -0.833 -2.399) 2.650 2.444 ( 6.147 13.263 5.815) 15.732 2.565 ( 2.869 4.449 -3.743) 6.484 2.927 ( -2.934 -0.152 -1.742) 3.416 4.075 ( 15.341 2.458 -0.851) 15.560 4.404 ( 1.090 -2.657 0.066) 2.872 4.531 ( 0.101 0.959 -2.049) 2.264 5.742 ( 7.745 -12.454 -16.146) 21.812 7.339 ( -5.578 9.773 2.665) 11.564 8.330 ( -12.328 -1.378 11.384) 16.836 25.579 ( -2.822 39.289 -2.551) 39.473 27.368 ( 3.314 7.385 0.555) 8.114 28.496 ( 7.795 -7.410 -0.350) 10.761 31.787 ( -4.163 -44.238 -1.823) 44.471 96.506 ( -5.483 15.839 -6.662) 18.036 98.078 ( -3.525 -11.996 3.842) 13.080 ======================= Grid point 211 (92/413) ======================= q-point: ( 0.23 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 8.066 6.242 5.109) 11.407 1.784 ( 6.684 10.258 7.891) 14.566 2.230 ( -1.075 -2.933 -4.507) 5.483 2.506 ( 3.440 3.474 -4.606) 6.716 2.689 ( 5.424 7.347 4.016) 9.976 2.869 ( -1.166 3.387 -0.420) 3.607 4.328 ( 9.891 0.206 -3.270) 10.420 4.426 ( 0.724 -1.727 -1.051) 2.147 4.535 ( 4.495 -2.477 2.179) 5.576 5.788 ( 9.666 -16.560 -16.214) 25.111 7.257 ( -6.840 7.823 6.230) 12.116 8.153 ( -13.597 -1.076 7.765) 15.695 25.516 ( -2.243 39.170 -1.657) 39.269 27.443 ( 4.132 9.173 0.573) 10.077 28.640 ( 7.948 -6.383 -0.668) 10.216 31.686 ( -5.015 -43.142 -1.823) 43.470 96.381 ( -3.851 16.676 -3.723) 17.516 98.033 ( -3.626 -10.682 2.550) 11.565 ======================= Grid point 212 (93/413) ======================= q-point: ( 0.31 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 8.619 2.637 5.146) 10.379 1.942 ( 4.024 6.428 6.475) 9.972 2.180 ( 0.332 -2.331 -5.361) 5.855 2.545 ( 2.505 1.987 -0.666) 3.266 2.707 ( -2.954 2.872 -0.463) 4.146 2.934 ( 6.076 4.853 0.589) 7.799 4.336 ( -2.997 -1.195 -1.429) 3.529 4.446 ( 2.282 -1.564 -1.598) 3.195 4.748 ( 12.243 -8.082 2.817) 14.937 5.866 ( 10.795 -18.872 -14.491) 26.127 7.170 ( -7.876 6.321 7.237) 12.424 7.954 ( -12.408 -1.517 4.701) 13.355 25.472 ( -1.502 38.883 -0.991) 38.924 27.524 ( 3.993 11.142 0.504) 11.847 28.774 ( 6.765 -4.965 -0.639) 8.416 31.583 ( -4.656 -41.988 -1.529) 42.273 96.306 ( -2.150 16.665 -1.934) 16.914 97.985 ( -3.097 -9.438 1.576) 10.058 ======================= Grid point 213 (94/413) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 6.858 0.939 3.812) 7.902 1.994 ( -1.432 1.793 1.297) 2.636 2.200 ( 4.692 0.611 -2.447) 5.327 2.547 ( -3.329 1.468 0.547) 3.679 2.673 ( 0.167 4.560 2.101) 5.023 3.037 ( 5.024 0.060 -1.621) 5.279 4.274 ( -2.704 -3.163 -0.092) 4.163 4.472 ( 1.139 -2.594 0.067) 2.834 4.963 ( 8.750 -11.008 1.512) 14.143 5.981 ( 11.246 -20.547 -10.576) 25.700 7.069 ( -8.248 5.732 6.099) 11.751 7.774 ( -9.344 -2.399 2.163) 9.887 25.445 ( -0.760 38.738 -0.495) 38.748 27.592 ( 2.836 12.828 0.353) 13.142 28.877 ( 4.618 -3.773 -0.425) 5.978 31.500 ( -3.102 -41.028 -1.032) 41.158 96.269 ( -0.879 16.499 -0.954) 16.550 97.944 ( -2.207 -8.404 0.862) 8.732 ======================= Grid point 214 (95/413) ======================= q-point: ( 0.46 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 2.245 0.566 0.176) 2.322 1.950 ( -2.798 1.145 1.269) 3.279 2.266 ( 3.216 0.872 -3.819) 5.069 2.480 ( -2.816 1.399 2.320) 3.907 2.710 ( 0.493 5.778 3.960) 7.022 3.095 ( 2.603 -2.947 -1.926) 4.378 4.240 ( -0.918 -4.148 0.416) 4.269 4.491 ( 0.492 -3.027 1.160) 3.279 5.087 ( 3.270 -12.097 1.465) 12.616 6.122 ( 9.934 -22.432 -5.760) 25.201 6.958 ( -7.197 6.035 3.513) 10.028 7.648 ( -4.821 -3.334 0.060) 5.862 25.436 ( -0.015 38.831 -0.115) 38.831 27.629 ( 0.884 13.798 0.179) 13.827 28.935 ( 1.826 -3.194 -0.182) 3.684 31.458 ( -0.667 -40.421 -0.478) 40.430 96.257 ( 0.098 16.426 -0.403) 16.431 97.917 ( -1.147 -7.691 0.326) 7.782 ======================= Grid point 215 (96/413) ======================= q-point: (-0.46 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( -5.756 3.261 -1.585) 6.803 1.933 ( -2.630 0.954 0.414) 2.828 2.239 ( -1.129 0.862 -4.426) 4.648 2.522 ( 3.826 -0.799 4.163) 5.710 2.740 ( -0.066 6.343 3.426) 7.210 3.096 ( -1.530 -2.092 -1.572) 3.031 4.253 ( 2.003 -3.345 0.925) 4.007 4.503 ( -0.326 -3.105 1.388) 3.416 5.102 ( -3.186 -11.015 2.367) 11.708 6.249 ( 5.804 -23.651 -1.162) 24.381 6.870 ( -3.024 6.112 0.402) 6.831 7.599 ( 0.102 -3.880 -1.718) 4.245 25.443 ( 0.751 39.139 0.164) 39.147 27.626 ( -1.336 13.793 0.063) 13.858 28.940 ( -1.218 -3.420 -0.020) 3.631 31.469 ( 2.030 -40.248 -0.020) 40.299 96.266 ( 1.121 16.498 -0.023) 16.536 97.906 ( -0.111 -7.365 -0.098) 7.366 ======================= Grid point 216 (97/413) ======================= q-point: (-0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -8.058 6.086 0.191) 10.100 1.816 ( -8.011 4.035 -4.245) 9.923 2.218 ( 1.249 -0.711 -1.558) 2.119 2.640 ( 4.899 -2.283 4.495) 7.030 2.761 ( 0.200 6.013 2.115) 6.377 3.004 ( -7.067 1.289 -2.025) 7.464 4.332 ( 5.281 -0.761 1.925) 5.672 4.489 ( -2.227 -3.566 0.135) 4.207 5.006 ( -9.238 -7.628 3.621) 12.516 6.297 ( -1.186 -20.224 1.690) 20.329 6.882 ( 5.080 2.203 -1.160) 5.658 7.620 ( 3.806 -3.521 -3.093) 6.037 25.466 ( 1.565 39.575 0.330) 39.607 27.583 ( -3.194 12.836 0.051) 13.227 28.890 ( -4.086 -4.455 0.018) 6.045 31.530 ( 4.255 -40.543 0.207) 40.766 96.301 ( 2.608 16.683 0.303) 16.889 97.910 ( 0.719 -7.411 -0.422) 7.458 ======================= Grid point 217 (98/413) ======================= q-point: (-0.31 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -8.598 8.812 3.302) 12.747 1.608 ( -8.958 9.312 -7.238) 14.810 2.246 ( 2.234 -1.587 -0.459) 2.778 2.739 ( -0.259 3.388 5.247) 6.251 2.771 ( -4.109 3.674 0.486) 5.534 2.834 ( -3.013 0.866 -3.032) 4.361 4.407 ( -5.832 -4.377 -2.716) 7.781 4.462 ( 6.186 1.989 2.868) 7.102 4.831 ( -12.098 -2.497 4.743) 13.233 6.240 ( -5.419 -14.519 1.255) 15.548 7.036 ( 11.387 -2.969 0.403) 11.775 7.684 ( 5.309 -1.805 -3.557) 6.641 25.506 ( 2.477 39.988 0.346) 40.066 27.513 ( -4.233 11.199 0.125) 11.973 28.792 ( -6.423 -6.076 -0.064) 8.842 31.623 ( 5.454 -41.278 0.146) 41.637 96.372 ( 4.953 16.771 0.494) 17.494 97.925 ( 1.204 -7.734 -0.531) 7.846 ======================= Grid point 218 (99/413) ======================= q-point: (-0.23 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -8.633 11.120 -3.677) 14.550 1.449 ( -4.960 16.630 1.636) 17.431 2.284 ( 1.855 -1.610 -0.255) 2.470 2.524 ( -15.504 11.092 0.086) 19.063 2.745 ( -1.374 6.420 0.316) 6.573 2.909 ( 5.310 -5.719 0.620) 7.829 4.227 ( -10.622 -3.271 -3.719) 11.720 4.579 ( 3.646 2.944 2.335) 5.236 4.649 ( -10.415 1.251 3.803) 11.158 6.130 ( -6.275 -11.428 -1.004) 13.076 7.290 ( 14.656 -3.974 1.049) 15.222 7.760 ( 4.779 1.126 -0.800) 4.974 25.563 ( 3.484 40.113 0.104) 40.264 27.434 ( -4.295 9.284 0.230) 10.232 28.655 ( -7.983 -7.730 -0.247) 11.114 31.726 ( 5.432 -42.316 -0.140) 42.663 96.496 ( 8.132 16.082 0.011) 18.021 97.946 ( 1.318 -8.222 -0.055) 8.327 ======================= Grid point 219 (100/413) ======================= q-point: (-0.15 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -3.083 17.491 -6.035) 18.758 1.404 ( -3.199 18.831 5.195) 19.795 2.242 ( -15.203 16.203 3.899) 22.559 2.305 ( 0.251 -0.787 -0.656) 1.055 2.712 ( -1.131 6.319 -2.275) 6.811 2.997 ( 3.857 -6.056 -0.552) 7.201 3.992 ( -11.307 1.010 -2.584) 11.643 4.499 ( -7.208 1.482 0.700) 7.392 4.619 ( -1.505 1.335 2.213) 2.991 6.001 ( -5.145 -9.056 -4.639) 11.402 7.537 ( 12.368 -0.365 -8.704) 15.128 7.884 ( 5.558 2.204 12.894) 14.213 25.634 ( 4.159 39.552 -0.662) 39.776 27.363 ( -3.464 7.509 0.318) 8.275 28.500 ( -8.248 -8.478 -0.361) 11.834 31.816 ( 4.323 -43.436 -0.495) 43.653 96.665 ( 10.425 13.519 -2.507) 17.254 97.975 ( 1.289 -8.947 1.703) 9.199 ======================= Grid point 220 (101/413) ======================= q-point: (-0.08 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 3.155 20.750 -5.856) 21.790 1.375 ( -4.021 19.027 2.932) 19.667 2.054 ( -9.636 21.192 11.550) 25.988 2.288 ( -1.184 1.260 -1.293) 2.159 2.680 ( 0.242 5.157 -4.330) 6.738 3.039 ( 1.732 -5.502 -2.477) 6.278 3.801 ( -6.832 5.007 -1.662) 8.632 4.404 ( -3.149 0.347 0.769) 3.260 4.567 ( -4.707 -0.867 0.988) 4.887 5.882 ( -2.305 -6.176 -8.899) 11.075 7.593 ( 3.999 6.680 -14.089) 16.097 8.146 ( 6.791 -1.046 21.390) 22.467 25.696 ( 3.149 38.358 -2.169) 38.548 27.314 ( -1.968 6.246 0.372) 6.559 28.362 ( -5.724 -7.767 -0.013) 9.649 31.875 ( 2.433 -44.418 -0.804) 44.492 96.807 ( 7.646 9.947 -7.812) 14.779 98.023 ( 1.304 -10.498 4.729) 11.587 ======================= Grid point 221 (102/413) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 5.611 16.450 -2.528) 17.564 1.642 ( -4.508 17.445 -5.034) 18.708 2.279 ( 0.054 -0.900 -1.366) 1.637 2.451 ( -0.332 13.607 11.353) 17.724 2.674 ( 0.110 -0.023 -8.138) 8.139 2.996 ( -0.142 0.919 2.611) 2.772 3.887 ( 1.567 8.437 -1.712) 8.750 4.436 ( -0.078 3.591 -0.470) 3.622 4.447 ( -2.187 -1.070 -0.674) 2.527 5.633 ( 1.220 -11.326 -12.866) 17.184 7.735 ( -1.018 10.293 -3.362) 10.876 8.308 ( 0.183 -3.510 16.397) 16.769 26.550 ( -0.083 46.628 -2.787) 46.711 27.430 ( -0.123 7.503 0.405) 7.515 28.152 ( 0.145 -8.634 0.475) 8.648 30.906 ( 0.037 -53.237 -1.751) 53.266 96.993 ( 0.057 9.099 -6.662) 11.277 97.834 ( 0.020 -12.111 2.885) 12.450 ======================= Grid point 222 (103/413) ======================= q-point: ( 0.08 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -2.463 16.610 -4.347) 17.345 1.733 ( 6.278 14.640 0.493) 15.937 2.262 ( -0.658 -1.322 -2.013) 2.497 2.522 ( 2.474 1.304 -3.028) 4.122 2.659 ( 1.227 9.919 5.036) 11.191 2.996 ( -1.409 2.772 1.439) 3.426 3.965 ( 7.778 7.340 -1.221) 10.764 4.394 ( -0.674 0.917 -2.177) 2.457 4.488 ( 3.545 -0.065 -0.934) 3.667 5.555 ( 1.356 -11.960 -15.200) 19.389 7.661 ( -5.727 11.771 1.290) 13.154 8.354 ( -7.096 -4.550 14.437) 16.718 26.507 ( -1.959 46.858 -3.142) 47.004 27.457 ( 2.705 7.921 0.469) 8.384 28.208 ( 5.234 -8.615 0.450) 10.090 30.877 ( -1.634 -53.149 -2.190) 53.219 96.912 ( -3.087 11.377 -6.588) 13.504 97.844 ( -1.105 -12.727 2.566) 13.030 ======================= Grid point 223 (104/413) ======================= q-point: ( 0.15 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 1.186 13.767 -1.582) 13.909 1.860 ( 5.888 12.414 2.991) 14.061 2.222 ( -1.381 -3.128 -3.734) 5.063 2.510 ( 2.303 -2.887 -8.481) 9.251 2.771 ( 3.372 12.250 9.273) 15.730 2.968 ( -1.971 3.976 0.298) 4.448 4.143 ( 11.492 4.666 -0.610) 12.418 4.383 ( 1.198 0.424 -2.507) 2.811 4.523 ( 0.959 -0.941 -2.714) 3.028 5.476 ( 2.855 -14.816 -16.153) 22.104 7.554 ( -8.289 11.361 5.652) 15.156 8.266 ( -12.085 -4.726 11.775) 17.522 26.442 ( -2.486 47.118 -2.815) 47.268 27.534 ( 4.980 9.097 0.555) 10.386 28.338 ( 8.185 -8.349 0.122) 11.693 30.817 ( -2.953 -52.504 -2.397) 52.642 96.801 ( -3.873 14.007 -5.022) 15.376 97.832 ( -1.860 -12.599 1.825) 12.866 ======================= Grid point 224 (105/413) ======================= q-point: ( 0.23 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 4.626 9.633 0.979) 10.731 1.985 ( 4.224 9.375 4.467) 11.211 2.165 ( -0.743 -3.567 -5.378) 6.496 2.504 ( 2.110 -2.541 -4.484) 5.569 2.858 ( -0.397 8.618 2.128) 8.886 2.959 ( 1.697 5.010 2.003) 5.656 4.336 ( 6.281 1.784 -0.469) 6.546 4.400 ( 3.102 -0.608 -3.157) 4.467 4.493 ( 0.523 -2.258 -2.427) 3.356 5.440 ( 5.591 -18.411 -15.091) 24.453 7.440 ( -9.234 10.007 7.935) 15.760 8.095 ( -13.911 -4.508 8.931) 17.135 26.381 ( -2.109 47.250 -2.176) 47.347 27.644 ( 6.196 10.789 0.599) 12.456 28.500 ( 8.900 -7.720 -0.162) 11.783 30.737 ( -3.620 -51.512 -2.279) 51.689 96.706 ( -3.091 15.796 -3.248) 16.420 97.806 ( -2.003 -12.036 1.161) 12.257 ======================= Grid point 225 (106/413) ======================= q-point: ( 0.31 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 6.402 5.694 2.425) 8.904 2.044 ( -0.683 1.952 0.627) 2.162 2.158 ( 3.817 1.791 -1.849) 4.604 2.517 ( 0.789 -3.229 0.006) 3.324 2.821 ( -2.023 7.061 -1.666) 7.532 3.023 ( 2.685 3.699 0.609) 4.611 4.309 ( -4.552 -0.746 -2.609) 5.300 4.398 ( -0.008 -2.925 -0.992) 3.089 4.623 ( 10.001 -4.424 -0.809) 10.966 5.465 ( 7.565 -20.838 -11.976) 25.197 7.326 ( -9.086 8.740 7.608) 14.726 7.896 ( -13.033 -4.124 5.987) 14.923 26.335 ( -1.395 47.333 -1.445) 47.376 27.763 ( 6.003 12.646 0.542) 14.009 28.656 ( 7.809 -6.936 -0.261) 10.448 30.656 ( -3.410 -50.474 -1.839) 50.623 96.641 ( -1.869 16.725 -1.895) 16.936 97.777 ( -1.711 -11.313 0.690) 11.462 ======================= Grid point 226 (107/413) ======================= q-point: ( 0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 5.779 3.025 2.364) 6.938 2.013 ( -1.590 0.032 -1.167) 1.973 2.234 ( 4.214 2.764 -0.545) 5.069 2.517 ( -2.198 -3.190 2.381) 4.547 2.793 ( 0.358 6.486 -0.605) 6.524 3.054 ( 1.298 0.946 -2.017) 2.578 4.211 ( -4.028 -2.669 -0.815) 4.900 4.394 ( 0.036 -4.977 -0.114) 4.978 4.780 ( 7.170 -6.857 -0.619) 9.941 5.542 ( 7.957 -22.524 -7.349) 24.993 7.213 ( -8.033 8.084 5.150) 12.506 7.711 ( -10.056 -3.801 3.015) 11.165 26.308 ( -0.597 47.460 -0.718) 47.469 27.865 ( 4.303 14.248 0.375) 14.888 28.778 ( 5.344 -6.276 -0.209) 8.246 30.591 ( -2.232 -49.645 -1.177) 49.709 96.607 ( -0.771 17.139 -1.024) 17.187 97.754 ( -1.184 -10.616 0.381) 10.688 ======================= Grid point 227 (108/413) ======================= q-point: ( 0.46 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 3.051 1.933 0.284) 3.623 1.974 ( -2.411 1.095 0.761) 2.755 2.288 ( 2.283 1.535 -2.683) 3.842 2.480 ( -2.596 -1.215 2.739) 3.965 2.820 ( 1.256 5.172 2.297) 5.796 3.058 ( 1.356 -1.231 -2.653) 3.223 4.161 ( -0.922 -3.269 0.538) 3.439 4.403 ( 0.605 -5.678 1.202) 5.835 4.876 ( 3.211 -8.280 0.282) 8.885 5.643 ( 6.652 -24.281 -2.760) 25.327 7.105 ( -6.002 8.043 1.567) 10.157 7.576 ( -5.496 -3.863 0.253) 6.722 26.302 ( 0.203 47.652 -0.074) 47.653 27.921 ( 1.403 15.156 0.171) 15.222 28.846 ( 1.986 -5.934 -0.114) 6.259 30.561 ( -0.272 -49.140 -0.452) 49.143 96.596 ( 0.154 17.284 -0.477) 17.291 97.740 ( -0.571 -10.087 0.163) 10.105 ======================= Grid point 228 (109/413) ======================= q-point: (-0.46 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -4.034 3.800 0.258) 5.548 1.957 ( -0.209 1.465 -0.305) 1.511 2.263 ( -1.785 1.759 -3.555) 4.350 2.500 ( 2.001 -1.536 3.623) 4.415 2.854 ( 0.318 4.969 2.656) 5.643 3.065 ( 0.688 -1.263 -1.938) 2.414 4.193 ( 3.605 -2.217 1.812) 4.604 4.428 ( 0.516 -4.396 1.922) 4.826 4.901 ( -1.221 -8.323 1.691) 8.580 5.740 ( 4.282 -25.913 0.803) 26.277 7.022 ( -2.548 8.201 -1.769) 8.768 7.516 ( -0.262 -4.395 -1.957) 4.818 26.314 ( 0.982 47.869 0.406) 47.881 27.917 ( -1.909 15.087 0.045) 15.207 28.847 ( -1.719 -6.012 -0.087) 6.254 30.575 ( 1.921 -48.976 0.146) 49.014 96.605 ( 1.125 17.232 -0.090) 17.269 97.735 ( 0.016 -9.799 -0.020) 9.799 ======================= Grid point 229 (110/413) ======================= q-point: (-0.38 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -6.381 5.636 2.123) 8.774 1.922 ( -1.909 6.002 -4.086) 7.508 2.216 ( -0.627 0.906 -1.426) 1.802 2.582 ( 3.603 -3.419 3.895) 6.312 2.873 ( 0.096 5.065 1.667) 5.333 3.030 ( -3.307 1.108 -2.020) 4.030 4.319 ( 7.619 -0.087 3.200) 8.264 4.434 ( -1.358 -1.583 0.682) 2.194 4.858 ( -5.241 -6.838 3.450) 9.281 5.807 ( 1.492 -26.448 2.579) 26.615 7.001 ( 2.679 7.775 -3.363) 8.885 7.537 ( 4.353 -4.820 -3.160) 7.223 26.344 ( 1.742 48.034 0.650) 48.070 27.855 ( -4.670 14.097 0.059) 14.850 28.782 ( -5.172 -6.529 -0.154) 8.330 30.630 ( 3.632 -49.194 0.450) 49.330 96.638 ( 2.422 16.905 0.214) 17.079 97.739 ( 0.490 -9.735 -0.184) 9.749 ======================= Grid point 230 (111/413) ======================= q-point: (-0.31 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -5.993 8.169 1.932) 10.314 1.845 ( -2.470 12.360 -4.208) 13.288 2.219 ( 1.297 -0.861 -0.191) 1.569 2.683 ( 4.046 -5.285 3.874) 7.701 2.876 ( -1.597 5.337 1.189) 5.696 2.913 ( -6.462 4.536 -3.090) 8.479 4.373 ( -4.788 1.604 -2.156) 5.490 4.492 ( 7.274 1.369 3.606) 8.233 4.769 ( -7.239 -3.738 4.985) 9.551 5.828 ( -0.898 -24.762 1.678) 24.835 7.087 ( 8.996 6.188 -2.123) 11.124 7.624 ( 7.205 -4.126 -2.920) 8.801 26.387 ( 2.480 48.050 0.606) 48.117 27.752 ( -6.218 12.509 0.169) 13.970 28.658 ( -7.788 -7.353 -0.259) 10.713 30.710 ( 4.405 -49.833 0.378) 50.029 96.701 ( 4.170 16.050 0.338) 16.586 97.750 ( 0.787 -9.815 -0.260) 9.850 ======================= Grid point 231 (112/413) ======================= q-point: (-0.23 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.613 ( -3.612 11.920 -0.922) 12.489 1.791 ( -1.248 16.524 -0.683) 16.585 2.249 ( 1.792 -1.759 -0.274) 2.526 2.718 ( -9.876 6.616 0.061) 11.887 2.788 ( 3.356 -4.816 0.987) 5.952 2.867 ( -0.941 5.468 -0.180) 5.551 4.231 ( -7.667 4.297 -3.682) 9.530 4.607 ( 2.044 0.369 2.852) 3.528 4.668 ( -7.242 0.554 4.086) 8.334 5.802 ( -1.581 -20.823 -1.827) 20.963 7.300 ( 14.026 4.235 0.563) 14.662 7.753 ( 7.748 -1.959 -0.465) 8.005 26.443 ( 3.103 47.817 0.226) 47.918 27.635 ( -6.338 10.715 0.288) 12.452 28.497 ( -9.056 -8.179 -0.326) 12.207 30.792 ( 4.195 -50.801 -0.015) 50.974 96.797 ( 5.975 14.278 -0.096) 15.479 97.764 ( 0.880 -9.969 -0.042) 10.008 ======================= Grid point 232 (113/413) ======================= q-point: (-0.15 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -0.119 15.403 -3.251) 15.743 1.780 ( -0.598 18.108 0.647) 18.129 2.274 ( 1.212 -2.175 -0.969) 2.672 2.531 ( -10.270 12.247 3.866) 16.444 2.799 ( 0.403 -0.882 -7.778) 7.838 2.899 ( 1.669 -0.670 5.723) 5.999 4.060 ( -7.489 6.384 -3.194) 10.346 4.557 ( -5.987 4.212 0.196) 7.323 4.608 ( -4.022 -1.828 3.156) 5.429 5.752 ( -0.496 -16.177 -6.296) 17.366 7.571 ( 13.549 3.776 -1.273) 14.123 7.909 ( 7.094 0.049 7.078) 10.021 26.502 ( 3.230 47.317 -0.559) 47.430 27.529 ( -5.137 9.078 0.359) 10.436 28.330 ( -8.408 -8.652 -0.243) 12.066 30.860 ( 3.215 -51.865 -0.587) 51.968 96.911 ( 6.523 11.537 -1.721) 13.364 97.783 ( 0.843 -10.276 0.783) 10.340 ======================= Grid point 233 (114/413) ======================= q-point: (-0.08 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 3.216 16.784 -3.450) 17.434 1.746 ( -2.690 18.045 -3.070) 18.501 2.281 ( 0.574 -1.700 -1.149) 2.130 2.426 ( -5.979 15.134 10.058) 19.130 2.738 ( -0.013 -0.561 -9.078) 9.095 2.963 ( 1.133 -0.903 3.951) 4.208 3.928 ( -4.143 7.853 -2.228) 9.154 4.463 ( -3.251 4.924 -1.100) 6.002 4.530 ( -5.623 -1.854 1.665) 6.150 5.696 ( 0.791 -12.767 -9.984) 16.227 7.728 ( 5.935 6.918 -5.614) 10.705 8.124 ( 6.133 -1.362 15.598) 16.816 26.546 ( 2.167 46.785 -1.717) 46.867 27.456 ( -2.918 7.924 0.382) 8.453 28.198 ( -5.202 -8.692 0.099) 10.130 30.900 ( 1.743 -52.756 -1.192) 52.798 96.993 ( 4.261 9.117 -4.527) 11.034 97.808 ( 0.698 -11.021 2.120) 11.245 ======================= Grid point 234 (115/413) ======================= q-point: ( 0.00 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 0.665 11.513 1.301) 11.605 1.987 ( 0.140 15.646 -11.545) 19.445 2.221 ( 0.211 -4.833 -0.418) 4.855 2.467 ( 0.208 -7.903 -10.597) 13.221 2.809 ( -0.419 10.174 9.703) 14.065 3.020 ( -0.242 0.051 6.526) 6.531 4.061 ( 1.026 8.765 -2.027) 9.054 4.356 ( -1.085 -5.475 -1.741) 5.846 4.641 ( -0.427 14.227 -3.561) 14.672 5.345 ( 1.124 -17.156 -10.937) 20.376 7.931 ( -0.746 9.297 2.589) 9.680 8.223 ( -0.046 -5.138 11.976) 13.032 27.549 ( -0.231 53.010 -2.580) 53.073 27.594 ( -0.107 9.017 0.374) 9.025 27.971 ( 0.250 -9.382 0.485) 9.398 29.799 ( 0.012 -57.223 -2.151) 57.263 97.178 ( 0.072 9.626 -3.610) 10.281 97.599 ( 0.038 -11.488 0.539) 11.500 ======================= Grid point 235 (116/413) ======================= q-point: ( 0.08 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( -3.252 13.046 -4.438) 14.159 2.001 ( 5.290 12.268 -3.534) 13.819 2.198 ( -1.701 -4.941 -2.339) 5.725 2.418 ( 2.843 -8.071 -10.375) 13.448 2.885 ( 0.670 9.690 10.119) 14.026 3.050 ( -0.967 1.399 4.613) 4.917 4.117 ( 6.291 7.559 -1.879) 10.012 4.358 ( 2.588 -4.130 -2.842) 5.642 4.606 ( -0.359 11.732 -4.302) 12.501 5.263 ( -0.648 -16.894 -12.679) 21.133 7.889 ( -6.625 10.896 5.428) 13.859 8.243 ( -6.991 -6.652 11.851) 15.283 27.499 ( -2.383 51.172 -2.986) 51.314 27.629 ( 3.500 9.498 0.492) 10.134 28.035 ( 5.809 -7.739 0.393) 9.685 29.772 ( -1.043 -57.081 -2.653) 57.152 97.134 ( -1.682 11.109 -3.806) 11.863 97.596 ( -0.703 -12.209 0.340) 12.234 ======================= Grid point 236 (117/413) ======================= q-point: ( 0.15 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -0.707 12.057 -4.164) 12.775 2.074 ( 2.619 6.618 0.155) 7.119 2.143 ( 0.149 -2.418 -5.316) 5.842 2.415 ( 3.072 -6.101 -6.441) 9.389 2.969 ( 1.209 7.357 7.524) 10.593 3.049 ( -1.671 3.081 2.086) 4.079 4.254 ( 9.504 5.669 -1.927) 11.233 4.389 ( 2.588 -0.978 -3.289) 4.297 4.559 ( -1.464 6.732 -5.086) 8.564 5.149 ( -0.958 -17.670 -13.282) 22.126 7.778 ( -10.072 10.958 7.927) 16.863 8.147 ( -11.780 -7.183 10.904) 17.586 27.432 ( -2.419 50.626 -2.785) 50.760 27.726 ( 6.324 10.187 0.605) 12.006 28.173 ( 8.526 -7.114 0.064) 11.105 29.724 ( -1.902 -56.458 -2.837) 56.562 97.070 ( -2.302 13.055 -3.204) 13.637 97.579 ( -1.154 -12.721 0.066) 12.774 ======================= Grid point 237 (118/413) ======================= q-point: ( 0.23 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( 2.020 9.603 -2.230) 10.063 2.052 ( -1.217 -4.661 -3.812) 6.143 2.182 ( 3.901 7.191 -0.169) 8.183 2.430 ( 1.973 -4.699 -2.920) 5.873 3.005 ( -2.105 5.618 0.842) 6.059 3.046 ( 0.901 3.238 2.539) 4.212 4.390 ( 0.271 0.311 -3.425) 3.450 4.424 ( 8.632 2.292 -1.723) 9.095 4.467 ( -3.618 4.369 -5.352) 7.799 5.063 ( 2.046 -19.029 -11.717) 22.440 7.641 ( -11.041 9.920 8.813) 17.263 7.981 ( -13.482 -6.820 9.261) 17.721 27.374 ( -1.764 51.305 -2.278) 51.386 27.865 ( 7.865 11.200 0.653) 13.702 28.339 ( 9.117 -7.680 -0.148) 11.922 29.663 ( -2.423 -55.557 -2.652) 55.673 97.009 ( -1.973 14.674 -2.300) 14.984 97.557 ( -1.179 -12.930 -0.096) 12.984 ======================= Grid point 238 (119/413) ======================= q-point: ( 0.31 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 3.937 6.540 -0.341) 7.642 2.013 ( -0.140 -3.580 -3.384) 4.928 2.249 ( 2.929 5.554 0.820) 6.333 2.443 ( 0.634 -4.119 -0.259) 4.175 2.955 ( -2.239 5.981 -1.583) 6.580 3.070 ( 0.162 0.717 0.058) 0.737 4.316 ( -6.477 0.807 -4.460) 7.905 4.347 ( -2.188 -1.776 -2.601) 3.834 4.588 ( 8.360 1.986 -1.508) 8.724 5.061 ( 5.210 -19.068 -8.228) 21.411 7.502 ( -10.230 8.634 7.547) 15.367 7.795 ( -12.525 -5.892 6.786) 15.415 27.334 ( -0.998 52.193 -1.561) 52.226 28.017 ( 7.720 12.470 0.578) 14.678 28.499 ( 7.963 -8.482 -0.190) 11.636 29.600 ( -2.413 -54.723 -2.126) 54.818 96.965 ( -1.235 15.718 -1.471) 15.835 97.536 ( -0.911 -12.881 -0.130) 12.914 ======================= Grid point 239 (120/413) ======================= q-point: ( 0.38 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 4.075 3.770 0.681) 5.593 1.997 ( 0.237 -1.617 -1.695) 2.355 2.301 ( 2.276 3.720 0.086) 4.362 2.447 ( -0.597 -3.618 1.188) 3.854 2.914 ( -0.781 5.483 -1.287) 5.686 3.055 ( -0.822 -1.119 -1.767) 2.248 4.183 ( -4.715 0.088 -1.885) 5.078 4.291 ( -1.720 -4.834 -1.448) 5.331 4.711 ( 5.766 0.553 -0.901) 5.862 5.121 ( 5.682 -18.863 -4.253) 20.155 7.373 ( -8.333 7.691 4.524) 12.209 7.624 ( -9.728 -4.934 3.609) 11.490 27.314 ( -0.267 52.900 -0.742) 52.906 28.147 ( 5.662 13.820 0.337) 14.939 28.624 ( 5.416 -9.141 -0.070) 10.625 29.548 ( -1.626 -54.262 -1.366) 54.304 96.941 ( -0.484 16.266 -0.852) 16.296 97.522 ( -0.529 -12.682 -0.094) 12.694 ======================= Grid point 240 (121/413) ======================= q-point: ( 0.46 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 2.588 2.019 0.216) 3.289 1.988 ( -0.834 0.202 0.198) 0.880 2.331 ( 1.074 2.648 -1.187) 3.095 2.442 ( -0.721 -2.419 1.770) 3.083 2.913 ( 0.788 4.052 0.509) 4.159 3.030 ( 0.134 -1.794 -1.983) 2.677 4.128 ( -0.455 0.159 0.442) 0.654 4.278 ( 0.799 -6.343 0.812) 6.445 4.787 ( 2.659 0.022 0.139) 2.663 5.197 ( 4.299 -19.624 -0.948) 20.112 7.261 ( -5.681 7.305 0.742) 9.284 7.493 ( -5.690 -4.542 0.291) 7.287 27.313 ( 0.392 53.310 0.030) 53.312 28.221 ( 1.884 14.679 0.004) 14.800 28.694 ( 1.988 -9.417 0.103) 9.625 29.525 ( 0.008 -54.133 -0.519) 54.135 96.934 ( 0.181 16.453 -0.420) 16.459 97.515 ( -0.139 -12.442 -0.044) 12.443 ======================= Grid point 241 (122/413) ======================= q-point: (-0.46 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -2.575 2.360 0.841) 3.593 1.985 ( 1.383 1.021 -0.458) 1.779 2.316 ( -1.305 3.582 -1.581) 4.128 2.459 ( 0.889 -2.616 2.442) 3.687 2.937 ( 0.898 3.460 1.279) 3.797 3.037 ( 1.561 -1.699 -1.494) 2.749 4.180 ( 4.979 1.080 2.525) 5.687 4.332 ( 3.206 -5.152 2.975) 6.758 4.809 ( -0.866 0.033 1.070) 1.377 5.261 ( 2.324 -21.254 1.262) 21.418 7.180 ( -2.097 7.424 -2.490) 8.106 7.423 ( -0.895 -4.990 -2.378) 5.599 27.329 ( 0.978 53.369 0.607) 53.381 28.214 ( -2.507 14.407 -0.194) 14.625 28.697 ( -1.814 -9.189 0.118) 9.367 29.543 ( 1.942 -54.006 0.220) 54.041 96.942 ( 0.867 16.324 -0.109) 16.348 97.516 ( 0.225 -12.213 -0.022) 12.215 ======================= Grid point 242 (123/413) ======================= q-point: (-0.38 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -3.343 4.732 1.149) 5.906 2.004 ( 1.349 1.323 -1.235) 2.258 2.276 ( -1.705 5.291 -0.715) 5.605 2.503 ( 1.746 -4.577 2.810) 5.647 2.960 ( 0.690 3.648 0.658) 3.771 3.040 ( -0.594 -0.252 -1.545) 1.675 4.338 ( 8.665 1.941 3.904) 9.700 4.425 ( 3.920 -0.077 3.687) 5.382 4.770 ( -4.373 -0.218 1.831) 4.746 5.300 ( 0.684 -23.448 1.895) 23.535 7.159 ( 2.677 7.776 -3.922) 9.111 7.430 ( 4.063 -5.836 -3.572) 7.958 27.357 ( 1.510 53.028 0.876) 53.057 28.131 ( -6.000 13.276 -0.140) 14.570 28.629 ( -5.391 -8.663 -0.045) 10.203 29.596 ( 3.249 -53.942 0.616) 54.043 96.966 ( 1.726 15.809 0.110) 15.903 97.523 ( 0.562 -11.968 -0.042) 11.982 ======================= Grid point 243 (124/413) ======================= q-point: (-0.31 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -2.274 7.468 0.756) 7.843 2.019 ( 1.295 2.890 -1.348) 3.442 2.252 ( -0.573 5.732 0.197) 5.764 2.562 ( 2.335 -6.823 2.592) 7.664 2.965 ( -0.727 3.450 0.146) 3.529 2.986 ( -3.615 2.484 -1.947) 4.799 4.470 ( 1.183 6.468 1.020) 6.654 4.547 ( 6.203 5.532 3.276) 8.933 4.691 ( -5.193 -3.127 4.101) 7.319 5.318 ( 0.613 -25.285 0.522) 25.298 7.234 ( 8.230 7.898 -2.800) 11.745 7.522 ( 8.182 -6.051 -2.824) 10.561 27.396 ( 2.025 52.272 0.786) 52.317 28.000 ( -7.837 11.963 0.053) 14.302 28.502 ( -8.043 -7.946 -0.224) 11.309 29.665 ( 3.557 -54.317 0.545) 54.436 97.008 ( 2.759 14.752 0.165) 15.009 97.536 ( 0.845 -11.641 -0.084) 11.672 ======================= Grid point 244 (125/413) ======================= q-point: (-0.23 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( -0.547 9.944 -0.466) 9.970 2.038 ( 1.737 5.080 -0.681) 5.412 2.253 ( 0.243 4.892 -0.105) 4.899 2.618 ( 2.043 -8.511 0.458) 8.764 2.880 ( -5.957 5.721 0.171) 8.260 2.950 ( -1.314 2.482 0.006) 2.808 4.404 ( -6.560 12.141 -2.665) 14.055 4.608 ( -1.995 -0.287 3.476) 4.018 4.684 ( -0.044 2.215 3.147) 3.848 5.341 ( 2.721 -24.373 -2.481) 24.650 7.422 ( 12.653 7.196 0.168) 14.557 7.684 ( 10.065 -4.861 -0.259) 11.180 27.443 ( 2.544 51.245 0.349) 51.310 27.852 ( -7.924 10.768 0.245) 13.372 28.336 ( -9.268 -7.098 -0.330) 11.679 29.730 ( 3.102 -55.137 0.072) 55.224 97.069 ( 3.630 13.058 -0.145) 13.554 97.552 ( 0.999 -11.219 -0.074) 11.264 ======================= Grid point 245 (126/413) ======================= q-point: (-0.15 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.127 11.713 -1.580) 11.873 2.071 ( 2.129 7.489 -1.016) 7.851 2.246 ( -0.345 2.667 -2.251) 3.507 2.618 ( -1.082 -6.693 -3.700) 7.723 2.794 ( -3.788 6.391 2.560) 7.858 2.938 ( -1.059 1.127 4.085) 4.368 4.244 ( -7.531 11.077 -2.828) 13.690 4.545 ( -6.335 -3.939 1.512) 7.612 4.689 ( -0.488 9.224 0.136) 9.238 5.373 ( 3.629 -20.978 -5.969) 22.110 7.674 ( 12.537 6.063 1.741) 14.034 7.880 ( 9.205 -3.039 4.453) 10.667 27.494 ( 2.930 50.570 -0.410) 50.657 27.719 ( -6.412 9.824 0.369) 11.737 28.164 ( -8.722 -6.670 -0.301) 10.984 29.778 ( 2.218 -56.089 -0.647) 56.136 97.134 ( 3.641 11.017 -1.062) 11.651 97.571 ( 0.952 -10.868 0.100) 10.910 ======================= Grid point 246 (127/413) ======================= q-point: (-0.08 0.42 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.350 12.327 -1.277) 12.613 2.072 ( -0.265 13.413 -6.234) 14.793 2.219 ( 0.105 -3.416 -2.021) 3.970 2.548 ( -1.902 -5.511 -6.436) 8.684 2.772 ( -1.738 7.787 5.436) 9.655 2.971 ( -0.089 -0.216 7.032) 7.036 4.110 ( -4.328 9.856 -2.425) 11.034 4.429 ( -5.574 -5.390 -0.543) 7.772 4.672 ( -0.572 13.234 -2.017) 13.399 5.380 ( 2.720 -18.381 -8.777) 20.550 7.867 ( 6.543 6.893 1.017) 9.558 8.081 ( 6.193 -3.223 10.050) 12.237 27.540 ( 2.424 51.419 -1.484) 51.497 27.627 ( -3.635 9.437 0.400) 10.121 28.024 ( -5.779 -7.937 0.011) 9.818 29.802 ( 1.139 -56.856 -1.439) 56.885 97.178 ( 2.271 9.555 -2.476) 10.128 97.588 ( 0.653 -10.919 0.414) 10.947 ======================= Grid point 247 (128/413) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.403 -8.300 0.459) 8.322 2.090 ( 0.403 8.300 0.459) 8.322 2.263 ( 0.189 -12.124 -12.181) 17.188 2.263 ( 0.189 12.124 -12.181) 17.188 2.968 ( -0.366 -5.402 9.044) 10.540 2.968 ( -0.366 5.402 9.044) 10.540 4.226 ( -0.191 -7.542 -1.992) 7.803 4.226 ( -0.191 7.542 -1.992) 7.803 4.979 ( 0.543 -18.681 -7.636) 20.188 4.979 ( 0.543 18.681 -7.636) 20.188 8.099 ( -0.387 -7.388 7.478) 10.519 8.099 ( -0.387 7.388 7.478) 10.519 27.778 ( -0.090 -9.540 0.374) 9.547 27.778 ( -0.090 9.540 0.374) 9.547 28.655 ( 0.043 -57.046 -2.367) 57.096 28.655 ( 0.043 57.046 -2.367) 57.096 97.379 ( 0.061 -10.570 -1.433) 10.667 97.379 ( 0.061 10.570 -1.433) 10.667 ======================= Grid point 249 (129/413) ======================= q-point: ( 0.08 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -3.060 -8.758 -2.857) 9.707 2.053 ( -3.060 8.758 -2.857) 9.707 2.234 ( 4.444 -10.138 -8.151) 13.746 2.234 ( 4.444 10.138 -8.151) 13.746 3.024 ( -0.287 -4.148 7.625) 8.685 3.024 ( -0.287 4.148 7.625) 8.685 4.254 ( 4.661 -6.108 -2.479) 8.073 4.254 ( 4.661 6.108 -2.479) 8.073 4.910 ( -1.519 -17.618 -8.825) 19.763 4.910 ( -1.519 17.618 -8.825) 19.763 8.088 ( -6.949 -8.965 8.838) 14.380 8.088 ( -6.949 8.965 8.838) 14.380 27.813 ( 3.462 -9.010 0.415) 9.661 27.813 ( 3.462 9.010 0.415) 9.661 28.633 ( -0.228 -56.259 -2.871) 56.333 28.633 ( -0.228 56.259 -2.871) 56.333 97.359 ( -0.899 -11.557 -1.642) 11.708 97.359 ( -0.899 11.557 -1.642) 11.708 ======================= Grid point 251 (130/413) ======================= q-point: ( 0.15 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -1.824 -8.970 -4.819) 10.344 1.974 ( -1.824 8.970 -4.819) 10.344 2.275 ( 4.053 -7.934 -3.737) 9.662 2.275 ( 4.053 7.934 -3.737) 9.662 3.063 ( -0.522 -1.975 4.803) 5.220 3.063 ( -0.522 1.975 4.803) 5.220 4.343 ( 6.283 -3.314 -2.973) 7.700 4.343 ( 6.283 3.314 -2.973) 7.700 4.801 ( -2.832 -16.215 -9.159) 18.837 4.801 ( -2.832 16.215 -9.159) 18.837 7.982 ( -11.184 -9.341 9.591) 17.445 7.982 ( -11.184 9.341 9.591) 17.445 27.907 ( 6.129 -7.396 0.446) 9.615 27.907 ( 6.129 7.396 0.446) 9.615 28.606 ( -0.339 -53.763 -3.012) 53.849 28.606 ( -0.339 53.763 -3.012) 53.849 97.326 ( -1.328 -12.748 -1.543) 12.909 97.326 ( -1.328 12.748 -1.543) 12.909 ======================= Grid point 253 (131/413) ======================= q-point: ( 0.23 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 0.198 -7.631 -4.051) 8.642 1.926 ( 0.198 7.631 -4.051) 8.642 2.320 ( 2.672 -6.271 -1.275) 6.935 2.320 ( 2.672 6.271 -1.275) 6.935 3.071 ( -1.064 -0.983 1.533) 2.109 3.071 ( -1.064 0.983 1.533) 2.109 4.403 ( 1.311 -1.209 -3.813) 4.209 4.403 ( 1.311 1.209 -3.813) 4.209 4.707 ( 0.701 -16.008 -7.473) 17.680 4.707 ( 0.701 16.008 -7.473) 17.680 7.827 ( -12.482 -8.627 9.200) 17.744 7.827 ( -12.482 8.627 9.200) 17.744 28.038 ( 7.340 -5.342 0.497) 9.091 28.038 ( 7.340 5.342 0.497) 9.091 28.579 ( -0.306 -48.822 -2.792) 48.903 28.579 ( -0.306 48.822 -2.792) 48.903 97.291 ( -1.211 -13.729 -1.231) 13.837 97.291 ( -1.211 13.729 -1.231) 13.837 ======================= Grid point 255 (132/413) ======================= q-point: ( 0.31 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 1.808 -5.413 -2.420) 6.199 1.922 ( 1.808 5.413 -2.420) 6.199 2.354 ( 1.420 -4.863 0.044) 5.066 2.354 ( 1.420 4.863 0.044) 5.066 3.047 ( -1.635 -2.999 -0.947) 3.545 3.047 ( -1.635 2.999 -0.947) 3.545 4.326 ( -4.888 -0.618 -4.279) 6.526 4.326 ( -4.888 0.618 -4.279) 6.526 4.736 ( 5.752 -12.673 -4.109) 14.511 4.736 ( 5.752 12.673 -4.109) 14.511 7.662 ( -11.448 -7.403 7.279) 15.455 7.662 ( -11.448 7.403 7.279) 15.455 28.177 ( 6.950 -10.175 0.627) 12.338 28.177 ( 6.950 10.175 0.627) 12.338 28.556 ( -0.213 -40.373 -2.335) 40.441 28.556 ( -0.213 40.373 -2.335) 40.441 97.265 ( -0.795 -14.344 -0.856) 14.392 97.265 ( -0.795 14.344 -0.856) 14.392 ======================= Grid point 257 (133/413) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 2.168 -3.012 -0.815) 3.800 1.950 ( 2.168 3.012 -0.815) 3.800 2.375 ( 0.753 -3.657 0.331) 3.748 2.375 ( 0.753 3.657 0.331) 3.748 3.006 ( -1.431 -3.670 -1.626) 4.261 3.006 ( -1.431 3.670 -1.626) 4.261 4.213 ( -3.839 -2.832 -2.299) 5.296 4.213 ( -3.839 2.832 -2.299) 5.296 4.821 ( 5.166 -10.611 -1.806) 11.939 4.821 ( 5.166 10.611 -1.806) 11.939 7.513 ( -9.000 -6.304 4.067) 11.717 7.513 ( -9.000 6.304 4.067) 11.717 28.296 ( 5.119 -24.979 0.915) 25.514 28.296 ( 5.119 24.979 0.915) 25.514 28.538 ( -0.094 -28.744 -1.858) 28.805 28.538 ( -0.094 28.744 -1.858) 28.805 97.250 ( -0.324 -14.627 -0.519) 14.639 97.250 ( -0.324 14.627 -0.519) 14.639 ======================= Grid point 259 (134/413) ======================= q-point: ( 0.46 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 1.069 -1.064 0.069) 1.509 1.980 ( 1.069 1.064 0.069) 1.509 2.388 ( 0.413 -2.931 0.299) 2.975 2.388 ( 0.413 2.931 0.299) 2.975 2.982 ( 0.069 -2.977 -0.875) 3.104 2.982 ( 0.069 2.977 -0.875) 3.104 4.171 ( 0.298 -4.051 0.416) 4.083 4.171 ( 0.298 4.051 0.416) 4.083 4.892 ( 2.932 -10.536 0.039) 10.937 4.892 ( 2.932 10.536 0.039) 10.937 7.391 ( -5.676 -5.800 0.389) 8.124 7.391 ( -5.676 5.800 0.389) 8.124 28.371 ( 1.706 -43.154 1.228) 43.205 28.371 ( 1.706 43.154 1.228) 43.205 28.529 ( 0.604 -23.215 -1.404) 23.266 28.529 ( 0.604 23.215 -1.404) 23.266 97.245 ( 0.105 -14.662 -0.257) 14.664 97.245 ( 0.105 14.662 -0.257) 14.664 ======================= Grid point 261 (135/413) ======================= q-point: (-0.46 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( -0.141 -0.768 0.193) 0.805 1.988 ( -0.141 0.768 0.193) 0.805 2.394 ( -0.105 -3.844 0.666) 3.903 2.394 ( -0.105 3.844 0.666) 3.903 2.995 ( 1.488 -2.480 -0.277) 2.906 2.995 ( 1.488 2.480 -0.277) 2.906 4.234 ( 5.124 -4.178 3.035) 7.275 4.234 ( 5.124 4.178 3.035) 7.275 4.926 ( 0.165 -11.723 1.196) 11.785 4.926 ( 0.165 11.723 1.196) 11.785 7.314 ( -1.556 -6.070 -2.643) 6.801 7.314 ( -1.556 6.070 -2.643) 6.801 28.368 ( -2.709 -35.043 0.856) 35.158 28.368 ( -2.709 35.043 0.856) 35.158 28.546 ( 1.888 -19.732 -0.436) 19.827 28.546 ( 1.888 19.732 -0.436) 19.827 97.250 ( 0.525 -14.484 -0.072) 14.494 97.250 ( 0.525 14.484 -0.072) 14.494 ======================= Grid point 263 (136/413) ======================= q-point: (-0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -0.309 -2.843 0.142) 2.864 1.984 ( -0.309 2.843 0.142) 2.864 2.397 ( -0.115 -6.059 1.167) 6.171 2.397 ( -0.115 6.059 1.167) 6.171 3.017 ( 0.775 -2.059 -0.563) 2.271 3.017 ( 0.775 2.059 -0.563) 2.271 4.391 ( 8.074 -3.013 4.847) 9.887 4.391 ( 8.074 3.013 4.847) 9.887 4.913 ( -2.456 -14.380 1.112) 14.631 4.913 ( -2.456 14.380 1.112) 14.631 7.304 ( 3.337 -6.827 -3.940) 8.560 7.304 ( 3.337 6.827 -3.940) 8.560 28.293 ( -5.630 -14.791 0.426) 15.832 28.293 ( -5.630 14.791 0.426) 15.832 28.583 ( 1.922 -31.016 0.284) 31.077 28.583 ( 1.922 31.016 0.284) 31.077 97.264 ( 1.004 -14.048 0.035) 14.084 97.264 ( 1.004 14.048 0.035) 14.084 ======================= Grid point 265 (137/413) ======================= q-point: (-0.31 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 0.364 -4.727 -0.020) 4.741 1.984 ( 0.364 4.727 -0.020) 4.741 2.410 ( 0.538 -8.363 1.321) 8.483 2.410 ( 0.538 8.363 1.321) 8.483 3.006 ( -1.446 -0.519 -0.951) 1.807 3.006 ( -1.446 0.519 -0.951) 1.807 4.566 ( 5.077 -3.940 5.324) 8.345 4.566 ( 5.077 3.940 5.324) 8.345 4.863 ( -2.080 -19.264 -0.694) 19.388 4.863 ( -2.080 19.264 -0.694) 19.388 7.387 ( 8.325 -7.369 -2.910) 11.493 7.387 ( 8.325 7.369 -2.910) 11.493 28.173 ( -7.309 -2.426 0.260) 7.706 28.173 ( -7.309 2.426 0.260) 7.706 28.618 ( 1.581 -42.894 0.370) 42.924 28.618 ( 1.581 42.894 0.370) 42.924 97.287 ( 1.523 -13.269 0.035) 13.357 97.287 ( 1.523 13.269 0.035) 13.357 ======================= Grid point 267 (138/413) ======================= q-point: (-0.23 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 1.310 -6.195 -0.473) 6.349 1.998 ( 1.310 6.195 -0.473) 6.349 2.431 ( 0.874 -10.120 0.181) 10.159 2.431 ( 0.874 10.120 0.181) 10.159 2.957 ( -3.164 -1.839 0.071) 3.660 2.957 ( -3.164 1.839 0.071) 3.660 4.581 ( -6.496 -3.383 2.827) 7.851 4.581 ( -6.496 3.383 2.827) 7.851 4.885 ( 5.271 -19.418 -2.077) 20.227 4.885 ( 5.271 19.418 -2.077) 20.227 7.565 ( 11.569 -6.842 -0.083) 13.441 7.565 ( 11.569 6.842 -0.083) 13.441 28.034 ( -7.621 -4.467 0.229) 8.837 28.034 ( -7.621 4.467 0.229) 8.837 28.645 ( 1.216 -50.195 -0.032) 50.210 28.645 ( 1.216 50.195 -0.032) 50.210 97.319 ( 1.898 -12.156 -0.125) 12.304 97.319 ( 1.898 12.156 -0.125) 12.304 ======================= Grid point 269 (139/413) ======================= q-point: (-0.15 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 2.088 -7.458 -0.924) 7.800 2.025 ( 2.088 7.458 -0.924) 7.800 2.429 ( -0.205 -10.985 -3.865) 11.647 2.429 ( -0.205 10.985 -3.865) 11.647 2.910 ( -2.821 -3.923 3.880) 6.197 2.910 ( -2.821 3.923 3.880) 6.197 4.437 ( -8.657 -7.389 -0.005) 11.381 4.437 ( -8.657 7.389 -0.005) 11.381 4.965 ( 4.782 -18.461 -3.735) 19.433 4.965 ( 4.782 18.461 -3.735) 19.433 7.793 ( 11.049 -5.468 3.108) 12.713 7.793 ( 11.049 5.468 3.108) 12.713 27.904 ( -6.356 -7.737 0.262) 10.016 27.904 ( -6.356 7.737 0.262) 10.016 28.662 ( 0.828 -54.340 -0.756) 54.351 28.662 ( 0.828 54.340 -0.756) 54.351 97.353 ( 1.828 -10.985 -0.482) 11.146 97.353 ( 1.828 10.985 -0.482) 11.146 ======================= Grid point 271 (140/413) ======================= q-point: (-0.08 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 2.276 -8.306 -0.705) 8.641 2.060 ( 2.276 8.306 -0.705) 8.641 2.362 ( -1.614 -11.430 -9.071) 14.682 2.362 ( -1.614 11.430 -9.071) 14.682 2.917 ( -1.175 -5.329 8.009) 9.692 2.917 ( -1.175 5.329 8.009) 9.692 4.294 ( -5.610 -8.161 -1.375) 9.998 4.294 ( -5.610 8.161 -1.375) 9.998 4.999 ( 2.614 -18.826 -5.887) 19.897 4.999 ( 2.614 18.826 -5.887) 19.897 7.993 ( 6.477 -5.520 5.647) 10.214 7.993 ( 6.477 5.520 5.647) 10.214 27.811 ( -3.654 -9.181 0.319) 9.886 27.811 ( -3.654 9.181 0.319) 9.886 28.665 ( 0.421 -56.439 -1.603) 56.463 28.665 ( 0.421 56.439 -1.603) 56.463 97.376 ( 1.144 -10.317 -0.979) 10.427 97.376 ( 1.144 10.317 -0.979) 10.427 ======================= Grid point 338 (141/413) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( -2.566 0.000 15.749) 15.957 0.861 ( 0.082 0.000 19.149) 19.150 1.410 ( 1.731 0.000 31.046) 31.094 1.939 ( -0.025 0.000 -6.284) 6.284 2.357 ( -0.064 0.000 -6.345) 6.345 3.214 ( 0.144 0.000 -4.456) 4.458 3.531 ( 0.885 0.000 -1.693) 1.910 4.099 ( -0.131 0.000 1.263) 1.270 4.519 ( -1.413 0.000 -0.676) 1.567 6.365 ( 1.164 0.000 -1.912) 2.238 7.198 ( -1.361 0.000 4.446) 4.650 8.135 ( -0.148 0.000 -4.827) 4.829 24.240 ( 0.119 0.000 1.063) 1.070 27.136 ( 0.058 0.000 0.648) 0.651 28.549 ( -0.041 0.000 0.941) 0.942 33.369 ( 0.218 0.000 -2.641) 2.650 95.666 ( -0.035 0.000 0.082) 0.089 98.938 ( -0.055 0.000 -1.314) 1.316 ======================= Grid point 339 (142/413) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 15.962 0.000 12.934) 20.544 1.075 ( 7.805 0.000 16.616) 18.358 1.702 ( 5.755 0.000 27.810) 28.399 1.997 ( 10.621 0.000 -6.694) 12.555 2.306 ( -0.155 0.000 -6.938) 6.939 3.087 ( -7.591 0.000 -5.683) 9.482 3.680 ( 13.969 0.000 -1.927) 14.102 4.116 ( 0.982 0.000 1.229) 1.574 4.557 ( 5.699 0.000 1.495) 5.892 6.372 ( 1.405 0.000 -4.909) 5.106 7.221 ( -0.115 0.000 4.156) 4.158 8.058 ( -3.939 0.000 -3.875) 5.525 24.247 ( -0.164 0.000 1.075) 1.087 27.143 ( 0.188 0.000 0.646) 0.673 28.616 ( 5.706 0.000 -0.933) 5.782 33.311 ( -4.218 0.000 -2.227) 4.769 95.665 ( -0.053 0.000 0.083) 0.098 98.829 ( -9.427 0.000 1.505) 9.546 ======================= Grid point 340 (143/413) ======================= q-point: ( 0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 15.493 0.000 11.556) 19.328 1.356 ( 10.238 0.000 13.154) 16.669 1.968 ( 6.048 0.000 12.227) 13.641 2.229 ( 13.485 0.000 -0.063) 13.485 2.260 ( 3.073 0.000 -4.827) 5.722 2.902 ( -6.978 0.000 -5.753) 9.043 3.949 ( 15.928 0.000 -4.015) 16.426 4.153 ( 2.010 0.000 1.047) 2.266 4.759 ( 12.256 0.000 7.993) 14.633 6.334 ( 0.088 0.000 -9.426) 9.426 7.242 ( -0.753 0.000 3.507) 3.587 7.955 ( -4.331 0.000 -2.440) 4.971 24.249 ( -0.442 0.000 0.914) 1.015 27.152 ( 0.215 0.000 0.555) 0.595 28.717 ( 6.143 0.000 -2.070) 6.482 33.193 ( -6.720 0.000 -1.740) 6.942 95.665 ( -0.004 0.000 0.065) 0.065 98.657 ( -10.483 0.000 3.204) 10.962 ======================= Grid point 341 (144/413) ======================= q-point: ( 0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 9.084 0.000 9.890) 13.428 1.668 ( 10.394 0.000 10.857) 15.030 2.119 ( 5.599 0.000 1.782) 5.876 2.211 ( 0.459 0.000 -6.269) 6.286 2.515 ( 7.073 0.000 -2.161) 7.395 2.824 ( 4.625 0.000 3.258) 5.657 4.184 ( 12.631 0.000 -4.586) 13.438 4.204 ( 2.804 0.000 0.766) 2.907 5.103 ( 14.949 0.000 14.063) 20.524 6.251 ( 0.819 0.000 -14.471) 14.494 7.242 ( -1.825 0.000 3.195) 3.679 7.870 ( -3.251 0.000 -1.292) 3.498 24.244 ( -0.664 0.000 0.604) 0.898 27.159 ( 0.176 0.000 0.384) 0.423 28.810 ( 5.345 0.000 -1.812) 5.644 33.046 ( -7.615 0.000 -1.400) 7.743 95.666 ( 0.066 0.000 0.044) 0.079 98.494 ( -9.437 0.000 2.860) 9.861 ======================= Grid point 342 (145/413) ======================= q-point: ( 0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 6.385 0.000 6.953) 9.440 1.886 ( 5.758 0.000 7.382) 9.362 2.179 ( 0.760 0.000 -4.863) 4.923 2.215 ( 3.957 0.000 0.159) 3.960 2.479 ( -2.041 0.000 -5.914) 6.257 3.076 ( 12.487 0.000 6.756) 14.197 4.263 ( 2.987 0.000 0.540) 3.036 4.359 ( 8.756 0.000 -1.672) 8.914 5.457 ( 10.036 0.000 15.635) 18.579 6.186 ( 5.508 0.000 -17.082) 17.948 7.224 ( -2.235 0.000 2.655) 3.471 7.813 ( -2.311 0.000 -0.672) 2.407 24.234 ( -0.777 0.000 0.226) 0.809 27.163 ( 0.079 0.000 0.167) 0.185 28.889 ( 4.314 0.000 -1.071) 4.445 32.900 ( -6.863 0.000 -1.107) 6.952 95.668 ( 0.118 0.000 0.040) 0.125 98.351 ( -7.738 0.000 1.861) 7.959 ======================= Grid point 343 (146/413) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 2.167 0.000 3.421) 4.050 1.968 ( -0.544 0.000 1.282) 1.393 2.170 ( 1.574 0.000 -2.726) 3.147 2.293 ( 4.118 0.000 2.536) 4.836 2.431 ( 0.388 0.000 -2.640) 2.668 3.295 ( 6.436 0.000 3.223) 7.198 4.317 ( 2.285 0.000 0.296) 2.304 4.489 ( 5.260 0.000 1.850) 5.576 5.659 ( 1.462 0.000 10.362) 10.465 6.233 ( 10.297 0.000 -11.890) 15.729 7.206 ( -0.991 0.000 1.721) 1.986 7.770 ( -1.921 0.000 -0.542) 1.996 24.220 ( -0.744 0.000 -0.113) 0.753 27.164 ( -0.065 0.000 -0.042) 0.077 28.954 ( 3.148 0.000 -0.367) 3.170 32.785 ( -4.568 0.000 -0.848) 4.646 95.671 ( 0.127 0.000 0.055) 0.138 98.236 ( -5.571 0.000 0.911) 5.645 ======================= Grid point 344 (147/413) ======================= q-point: (-0.54 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -7.168 0.000 -1.221) 7.271 1.962 ( -2.556 0.000 0.448) 2.595 2.205 ( 3.092 0.000 -0.302) 3.107 2.396 ( 2.740 0.000 3.271) 4.267 2.457 ( 5.172 0.000 -1.173) 5.303 3.351 ( -1.899 0.000 0.472) 1.957 4.346 ( 0.541 0.000 0.032) 0.542 4.585 ( 2.976 0.000 3.981) 4.970 5.690 ( -3.519 0.000 5.104) 6.200 6.337 ( 6.245 0.000 -5.512) 8.330 7.229 ( 2.845 0.000 0.787) 2.952 7.732 ( -1.682 0.000 -0.547) 1.769 24.206 ( -0.564 0.000 -0.320) 0.649 27.160 ( -0.223 0.000 -0.184) 0.289 29.000 ( 1.921 0.000 0.060) 1.922 32.725 ( -1.192 0.000 -0.657) 1.361 95.674 ( 0.085 0.000 0.073) 0.112 98.159 ( -3.163 0.000 0.296) 3.177 ======================= Grid point 345 (148/413) ======================= q-point: (-0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -11.724 0.000 -0.318) 11.729 1.876 ( -6.649 0.000 -0.067) 6.649 2.266 ( 3.375 0.000 0.092) 3.376 2.431 ( 0.756 0.000 0.552) 0.936 2.597 ( 8.616 0.000 0.180) 8.618 3.235 ( -10.438 0.000 -0.310) 10.443 4.336 ( -1.455 0.000 -0.098) 1.458 4.658 ( 1.608 0.000 4.315) 4.605 5.600 ( -9.851 0.000 3.436) 10.433 6.368 ( 0.670 0.000 -2.407) 2.499 7.324 ( 6.958 0.000 -0.559) 6.981 7.701 ( -1.400 0.000 -0.135) 1.406 24.195 ( -0.277 0.000 -0.351) 0.447 27.153 ( -0.348 0.000 -0.217) 0.410 29.026 ( 0.763 0.000 0.116) 0.771 32.733 ( 2.500 0.000 -0.578) 2.566 95.675 ( 0.006 0.000 0.076) 0.076 98.124 ( -0.838 0.000 0.152) 0.852 ======================= Grid point 346 (149/413) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -14.771 0.000 1.991) 14.904 1.719 ( -10.436 0.000 0.669) 10.457 2.326 ( 3.087 0.000 -0.323) 3.104 2.440 ( 0.231 0.000 -1.115) 1.139 2.749 ( 6.272 0.000 -0.182) 6.274 2.976 ( -15.847 0.000 0.287) 15.849 4.294 ( -2.845 0.000 -0.038) 2.845 4.702 ( -0.026 0.000 3.189) 3.189 5.363 ( -17.998 0.000 2.210) 18.134 6.354 ( -0.824 0.000 0.695) 1.078 7.455 ( 8.048 0.000 -4.127) 9.045 7.683 ( -0.858 0.000 1.978) 2.156 24.191 ( 0.044 0.000 -0.219) 0.223 27.145 ( -0.399 0.000 -0.132) 0.420 29.030 ( -0.231 0.000 -0.288) 0.369 32.805 ( 5.650 0.000 -0.619) 5.683 95.675 ( -0.082 0.000 0.055) 0.099 98.130 ( 1.150 0.000 0.679) 1.336 ======================= Grid point 347 (150/413) ======================= q-point: (-0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -15.621 0.000 6.357) 16.865 1.503 ( -13.906 0.000 2.394) 14.110 2.373 ( 1.832 0.000 -1.406) 2.309 2.387 ( -6.696 0.000 -4.752) 8.211 2.579 ( -18.525 0.000 7.067) 19.827 2.934 ( 7.728 0.000 -3.614) 8.532 4.236 ( -3.395 0.000 0.152) 3.399 4.701 ( -2.020 0.000 1.847) 2.738 4.971 ( -24.837 0.000 0.626) 24.845 6.363 ( 0.122 0.000 3.778) 3.779 7.520 ( 3.439 0.000 -9.191) 9.814 7.726 ( 3.056 0.000 5.149) 5.988 24.194 ( 0.313 0.000 0.028) 0.314 27.137 ( -0.366 0.000 0.046) 0.369 29.011 ( -1.167 0.000 -1.426) 1.843 32.926 ( 7.589 0.000 -0.685) 7.620 95.673 ( -0.152 0.000 0.015) 0.152 98.177 ( 2.868 0.000 2.343) 3.703 ======================= Grid point 348 (151/413) ======================= q-point: (-0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -13.553 0.000 13.350) 19.024 1.246 ( -16.419 0.000 5.522) 17.323 1.997 ( -27.476 0.000 1.950) 27.545 2.404 ( 1.863 0.000 -2.135) 2.833 2.432 ( -6.138 0.000 2.174) 6.512 3.041 ( 6.776 0.000 -5.249) 8.571 4.175 ( -3.217 0.000 0.450) 3.248 4.478 ( -27.330 0.000 0.125) 27.330 4.663 ( -2.935 0.000 0.952) 3.086 6.405 ( 0.623 0.000 4.556) 4.598 7.468 ( -1.130 0.000 -9.612) 9.678 7.846 ( 5.777 0.000 3.918) 6.981 24.202 ( 0.465 0.000 0.333) 0.572 27.133 ( -0.274 0.000 0.263) 0.380 28.959 ( -2.730 0.000 -3.783) 4.666 33.069 ( 8.111 0.000 -0.579) 8.131 95.670 ( -0.175 0.000 -0.017) 0.176 98.278 ( 5.249 0.000 5.855) 7.864 ======================= Grid point 349 (152/413) ======================= q-point: (-0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( -9.746 0.000 19.323) 21.642 0.993 ( -16.365 0.000 10.614) 19.506 1.505 ( -28.261 0.000 10.424) 30.122 2.296 ( -9.200 0.000 -1.401) 9.306 2.412 ( 1.218 0.000 -3.631) 3.830 3.110 ( 5.275 0.000 -5.976) 7.971 4.000 ( -22.210 0.000 -0.285) 22.212 4.130 ( -2.564 0.000 0.799) 2.686 4.619 ( -2.829 0.000 1.847) 3.379 6.430 ( -0.862 0.000 1.533) 1.759 7.351 ( -4.306 0.000 -7.531) 8.675 7.987 ( 6.811 0.000 2.059) 7.115 24.215 ( 0.475 0.000 0.643) 0.799 27.131 ( -0.172 0.000 0.447) 0.479 28.840 ( -6.448 0.000 -6.495) 9.152 33.212 ( 7.562 0.000 -0.417) 7.573 95.667 ( -0.125 0.000 0.009) 0.126 98.478 ( 10.580 0.000 9.949) 14.523 ======================= Grid point 350 (153/413) ======================= q-point: (-0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -16.061 0.000 14.438) 21.597 0.830 ( -11.143 0.000 16.698) 20.075 1.246 ( -10.325 0.000 27.185) 29.080 2.084 ( -9.828 0.000 -4.649) 10.872 2.396 ( 0.464 0.000 -5.139) 5.160 3.168 ( 5.629 0.000 -4.891) 7.457 3.669 ( -12.830 0.000 -0.775) 12.853 4.103 ( -1.228 0.000 1.134) 1.672 4.576 ( -3.321 0.000 0.702) 3.394 6.391 ( -2.381 0.000 -1.693) 2.922 7.232 ( -4.480 0.000 -0.070) 4.480 8.110 ( 5.547 0.000 -2.121) 5.939 24.228 ( 0.351 0.000 0.905) 0.971 27.132 ( -0.093 0.000 0.561) 0.569 28.645 ( -8.728 0.000 -3.417) 9.373 33.331 ( 5.390 0.000 -1.499) 5.595 95.666 ( -0.028 0.000 0.069) 0.075 98.787 ( 13.748 0.000 5.399) 14.771 ======================= Grid point 351 (154/413) ======================= q-point: ( 0.00 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( -0.223 11.350 13.471) 17.616 0.861 ( -0.686 2.206 18.893) 19.034 1.604 ( 1.068 17.032 25.994) 31.095 1.984 ( -0.222 4.323 -5.834) 7.265 2.391 ( -0.002 2.860 -6.661) 7.249 3.163 ( -0.235 -4.393 -2.852) 5.242 3.547 ( 1.168 1.692 -1.632) 2.625 4.253 ( -0.132 11.993 -1.914) 12.145 4.515 ( -1.456 -0.440 -0.757) 1.699 6.055 ( 1.461 -24.874 -3.512) 25.163 7.143 ( -1.597 0.761 5.486) 5.764 8.401 ( -0.048 16.717 -3.320) 17.043 24.442 ( 0.097 18.852 -1.862) 18.944 27.155 ( 0.021 1.934 0.656) 2.042 28.523 ( -0.005 -2.635 0.911) 2.788 33.180 ( 0.205 -18.536 -2.028) 18.648 95.870 ( -0.018 17.493 -6.607) 18.699 98.799 ( -0.055 -12.435 1.950) 12.587 ======================= Grid point 352 (155/413) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 10.352 4.736 13.585) 17.724 1.088 ( 9.357 3.718 15.620) 18.583 1.854 ( 5.296 13.763 23.547) 27.784 2.029 ( 9.411 3.160 -6.294) 11.755 2.335 ( -0.470 2.517 -7.065) 7.515 3.061 ( -6.641 -2.379 -4.219) 8.220 3.688 ( 13.471 0.985 -1.719) 13.616 4.238 ( -0.088 10.252 -0.884) 10.290 4.543 ( 4.705 -1.482 1.644) 5.199 6.091 ( 5.183 -23.881 -7.729) 25.631 7.172 ( -0.567 0.348 6.930) 6.962 8.308 ( -6.309 16.977 -3.365) 18.421 24.426 ( -0.758 17.162 -0.564) 17.188 27.164 ( 0.381 2.086 0.659) 2.220 28.585 ( 5.380 -3.001 -0.533) 6.183 33.129 ( -3.827 -17.966 -2.028) 18.481 95.819 ( -1.217 13.890 -3.511) 14.378 98.728 ( -7.839 -9.568 2.558) 12.631 ======================= Grid point 353 (156/413) ======================= q-point: ( 0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 10.435 -2.211 13.289) 17.041 1.402 ( 12.964 4.908 11.758) 18.177 2.068 ( 5.593 8.515 6.525) 12.098 2.222 ( 7.001 -0.295 -2.655) 7.494 2.313 ( 7.543 4.976 0.631) 9.059 2.898 ( -6.652 -0.328 -4.630) 8.111 3.955 ( 15.811 0.778 -3.550) 16.224 4.242 ( 0.934 7.735 -0.169) 7.793 4.721 ( 10.742 -3.720 8.214) 14.025 6.107 ( 4.471 -19.885 -12.753) 24.042 7.210 ( -0.873 0.139 6.657) 6.716 8.150 ( -7.866 14.331 -2.318) 16.511 24.409 ( -0.893 15.689 0.117) 15.715 27.178 ( 0.607 2.644 0.578) 2.774 28.688 ( 6.261 -2.866 -1.631) 7.077 33.019 ( -6.296 -17.226 -1.747) 18.423 95.780 ( -0.971 10.840 -1.539) 10.992 98.585 ( -9.284 -6.996 3.236) 12.067 ======================= Grid point 354 (157/413) ======================= q-point: ( 0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 8.626 -3.243 10.511) 13.979 1.702 ( 10.198 3.273 9.946) 14.616 2.177 ( 2.801 2.491 -3.966) 5.457 2.211 ( 2.401 2.332 -2.714) 4.309 2.564 ( 8.049 4.703 0.117) 9.323 2.808 ( 2.217 -1.307 2.583) 3.646 4.188 ( 11.642 1.013 -3.553) 12.214 4.270 ( 2.515 5.246 -0.358) 5.828 5.039 ( 13.545 -6.377 14.114) 20.575 6.084 ( 5.219 -14.887 -16.923) 23.136 7.227 ( -2.175 0.083 5.606) 6.014 7.997 ( -6.941 9.993 -1.364) 12.243 24.393 ( -0.919 14.777 0.218) 14.807 27.194 ( 0.680 3.500 0.422) 3.591 28.788 ( 5.705 -2.168 -1.547) 6.296 32.880 ( -7.204 -16.502 -1.441) 18.064 95.759 ( -0.531 8.942 -0.647) 8.981 98.439 ( -8.591 -5.324 2.715) 10.465 ======================= Grid point 355 (158/413) ======================= q-point: ( 0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 6.559 -3.174 7.687) 10.591 1.910 ( 5.447 2.120 6.352) 8.632 2.143 ( 0.631 -2.613 -6.450) 6.988 2.278 ( 3.308 5.435 0.013) 6.363 2.554 ( -1.895 6.515 -3.640) 7.700 3.027 ( 11.673 -4.574 5.951) 13.878 4.292 ( 2.169 2.403 0.560) 3.285 4.375 ( 8.103 1.482 -1.513) 8.375 5.369 ( 9.251 -8.808 14.596) 19.396 6.088 ( 9.598 -8.996 -17.696) 22.050 7.210 ( -3.390 -0.700 4.147) 5.401 7.876 ( -5.316 5.271 -0.680) 7.517 24.377 ( -0.884 14.316 0.061) 14.344 27.208 ( 0.577 4.466 0.221) 4.509 28.876 ( 4.694 -1.357 -0.964) 4.981 32.741 ( -6.502 -15.819 -1.127) 17.140 95.749 ( -0.202 7.899 -0.264) 7.906 98.309 ( -7.120 -4.128 1.757) 8.416 ======================= Grid point 356 (159/413) ======================= q-point: ( 0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 3.118 -2.291 4.618) 6.024 1.971 ( -1.329 0.416 0.843) 1.628 2.136 ( 2.638 -1.741 -4.209) 5.263 2.338 ( 3.291 3.905 1.698) 5.382 2.514 ( -0.646 7.008 -0.733) 7.076 3.234 ( 6.628 -5.687 2.677) 9.135 4.327 ( 1.241 0.679 0.306) 1.447 4.496 ( 4.845 0.660 1.784) 5.205 5.561 ( 2.531 -9.465 8.824) 13.186 6.198 ( 12.790 -3.712 -11.418) 17.542 7.171 ( -3.071 -2.947 2.613) 4.994 7.788 ( -3.871 1.450 -0.433) 4.156 24.362 ( -0.735 14.186 -0.146) 14.206 27.217 ( 0.300 5.313 0.027) 5.321 28.947 ( 3.393 -0.745 -0.370) 3.494 32.632 ( -4.305 -15.247 -0.836) 15.865 95.746 ( 0.008 7.399 -0.089) 7.399 98.204 ( -5.148 -3.245 0.876) 6.148 ======================= Grid point 357 (160/413) ======================= q-point: (-0.54 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -6.722 -0.655 -0.915) 6.815 1.976 ( -1.934 1.094 1.237) 2.543 2.165 ( 3.010 -2.197 -1.552) 4.037 2.441 ( 5.780 1.998 2.642) 6.662 2.511 ( 0.537 6.122 -0.214) 6.149 3.299 ( -0.951 -4.905 0.332) 5.008 4.340 ( 0.086 -0.654 -0.074) 0.663 4.583 ( 2.507 -0.285 3.630) 4.421 5.611 ( -2.132 -7.675 4.636) 9.216 6.343 ( 8.112 0.079 -5.465) 9.781 7.154 ( 0.458 -6.797 1.208) 6.918 7.725 ( -2.539 -0.776 -0.389) 2.684 24.349 ( -0.453 14.309 -0.281) 14.319 27.219 ( -0.092 5.826 -0.103) 5.828 28.995 ( 1.923 -0.535 -0.007) 1.996 32.576 ( -1.064 -14.869 -0.621) 14.920 95.748 ( 0.153 7.282 -0.007) 7.284 98.133 ( -2.932 -2.664 0.307) 3.973 ======================= Grid point 358 (161/413) ======================= q-point: (-0.46 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -10.955 0.781 -0.067) 10.983 1.892 ( -6.989 1.448 -0.219) 7.141 2.222 ( 3.297 -2.918 0.068) 4.403 2.511 ( 0.406 6.363 0.558) 6.400 2.594 ( 8.105 -0.270 0.106) 8.110 3.205 ( -9.053 -2.824 -0.292) 9.488 4.331 ( -0.853 -0.577 -0.232) 1.056 4.644 ( 1.081 -1.471 3.816) 4.230 5.542 ( -8.855 -5.721 3.397) 11.075 6.400 ( 1.281 2.797 -2.218) 3.793 7.217 ( 5.805 -10.325 -0.580) 11.859 7.688 ( -1.300 -1.278 0.058) 1.824 24.342 ( -0.063 14.630 -0.295) 14.633 27.213 ( -0.490 5.874 -0.129) 5.896 29.017 ( 0.454 -0.852 0.033) 0.966 32.585 ( 2.474 -14.746 -0.535) 14.961 95.752 ( 0.325 7.549 0.015) 7.556 98.100 ( -0.788 -2.401 0.170) 2.533 ======================= Grid point 359 (162/413) ======================= q-point: (-0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -13.924 2.348 1.899) 14.247 1.725 ( -10.951 0.593 0.558) 10.981 2.280 ( 2.888 -2.973 -0.013) 4.145 2.515 ( 0.160 5.797 -1.267) 5.936 2.740 ( 6.587 -0.824 -0.442) 6.653 2.974 ( -14.638 -0.179 0.419) 14.645 4.310 ( -1.179 1.337 -0.211) 1.795 4.674 ( -0.613 -2.794 2.801) 4.003 5.323 ( -17.019 -3.904 2.280) 17.609 6.386 ( -1.436 2.974 0.794) 3.397 7.337 ( 8.135 -11.366 -4.185) 14.591 7.680 ( -0.218 -0.410 2.184) 2.233 24.343 ( 0.394 15.131 -0.204) 15.138 27.200 ( -0.778 5.450 -0.045) 5.505 29.012 ( -0.887 -1.737 -0.320) 1.977 32.656 ( 5.477 -14.902 -0.590) 15.888 95.761 ( 0.668 8.353 -0.052) 8.379 98.105 ( 1.046 -2.454 0.650) 2.745 ======================= Grid point 360 (163/413) ======================= q-point: (-0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -14.837 3.533 5.406) 16.181 1.501 ( -14.189 0.185 2.771) 14.459 2.323 ( 1.536 -2.500 -0.905) 3.071 2.465 ( -6.728 5.205 -4.435) 9.593 2.617 ( -15.502 3.576 5.946) 16.984 2.918 ( 7.272 -1.557 -3.391) 8.173 4.286 ( -1.144 4.482 -0.287) 4.635 4.658 ( -3.059 -4.272 2.019) 5.629 4.954 ( -23.004 -1.372 0.426) 23.049 6.374 ( -1.407 0.878 3.231) 3.632 7.419 ( 5.228 -9.695 -10.078) 14.929 7.732 ( 2.952 0.584 6.786) 7.424 24.354 ( 0.904 15.859 -0.082) 15.885 27.185 ( -0.887 4.670 0.119) 4.755 28.979 ( -2.196 -3.150 -1.254) 4.040 32.772 ( 7.301 -15.320 -0.701) 16.985 95.778 ( 1.409 10.019 -0.346) 10.123 98.149 ( 2.617 -2.829 2.170) 4.423 ======================= Grid point 361 (164/413) ======================= q-point: (-0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( -13.894 2.640 10.226) 17.453 1.254 ( -15.602 2.057 7.053) 17.245 2.096 ( -23.568 8.988 1.922) 25.297 2.359 ( -0.413 -2.345 -0.113) 2.384 2.500 ( -3.712 4.678 -0.239) 5.976 3.021 ( 6.538 -1.932 -5.003) 8.456 4.254 ( -3.118 5.838 -0.786) 6.665 4.476 ( -22.468 -0.012 1.876) 22.546 4.636 ( -4.334 -1.823 -0.465) 4.725 6.368 ( -2.175 -3.721 2.735) 5.104 7.381 ( -0.173 -6.783 -11.905) 13.703 7.888 ( 7.402 2.813 8.449) 11.579 24.376 ( 1.518 16.931 -0.105) 16.999 27.170 ( -0.817 3.727 0.314) 3.828 28.907 ( -4.055 -4.836 -2.983) 6.981 32.908 ( 7.720 -15.965 -0.687) 17.747 95.811 ( 2.806 12.940 -1.335) 13.308 98.241 ( 4.668 -3.721 5.324) 7.999 ======================= Grid point 362 (165/413) ======================= q-point: (-0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -13.278 -2.195 14.082) 19.479 1.056 ( -13.123 7.485 12.906) 19.870 1.692 ( -22.557 15.578 9.997) 29.179 2.295 ( -6.885 -0.087 -1.438) 7.034 2.446 ( 0.002 3.212 -3.822) 4.993 3.086 ( 4.883 -2.199 -5.679) 7.806 3.983 ( -20.590 -0.751 -0.255) 20.606 4.285 ( -1.304 12.046 -1.158) 12.172 4.586 ( -2.335 -2.816 1.882) 4.114 6.303 ( -5.843 -11.650 -1.871) 13.166 7.266 ( -3.622 -3.771 -8.060) 9.607 8.112 ( 10.256 8.037 6.942) 14.764 24.408 ( 2.188 18.368 -0.695) 18.510 27.159 ( -0.621 2.835 0.477) 2.941 28.777 ( -7.173 -5.706 -4.460) 10.194 33.042 ( 6.926 -16.907 -0.590) 18.280 95.860 ( 4.355 16.797 -4.015) 17.811 98.414 ( 8.640 -6.071 9.061) 13.914 ======================= Grid point 363 (166/413) ======================= q-point: (-0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -8.413 -1.272 18.010) 19.919 0.916 ( -12.899 9.935 13.014) 20.843 1.493 ( -9.686 19.635 21.579) 30.741 2.114 ( -8.533 2.864 -4.345) 9.994 2.427 ( 0.856 2.678 -5.351) 6.045 3.133 ( 4.339 -3.105 -4.247) 6.819 3.668 ( -12.123 0.491 -0.620) 12.149 4.266 ( 0.122 12.375 -2.111) 12.554 4.560 ( -2.292 -1.416 0.954) 2.858 6.140 ( -7.227 -20.367 -4.283) 22.032 7.166 ( -3.418 -0.261 0.233) 3.436 8.330 ( 8.409 13.375 1.314) 15.853 24.439 ( 1.870 19.423 -1.977) 19.613 27.154 ( -0.352 2.195 0.580) 2.297 28.601 ( -7.641 -4.027 -1.911) 8.846 33.146 ( 4.589 -18.121 -1.177) 18.730 95.895 ( 3.266 19.076 -7.403) 20.721 98.666 ( 10.120 -10.808 6.887) 16.330 ======================= Grid point 364 (167/413) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 2.496 8.958 13.008) 15.990 1.109 ( -1.970 15.822 9.208) 18.412 1.994 ( 0.949 19.470 15.881) 25.143 2.101 ( -0.765 7.912 -1.213) 8.041 2.450 ( 0.075 2.670 -7.337) 7.808 3.064 ( -0.511 -5.044 -1.339) 5.244 3.602 ( 1.356 3.869 -1.567) 4.389 4.436 ( 0.193 4.417 -0.060) 4.422 4.500 ( -2.070 -1.011 -0.942) 2.489 5.631 ( 1.624 -14.913 -12.804) 19.723 7.257 ( -1.447 9.567 4.792) 10.797 8.628 ( 0.028 5.906 3.543) 6.887 24.935 ( 0.043 29.897 -3.998) 30.163 27.213 ( -0.064 3.866 0.671) 3.925 28.446 ( 0.074 -5.080 0.834) 5.148 32.653 ( 0.168 -33.818 -1.781) 33.865 96.241 ( 0.031 18.057 -11.478) 21.396 98.507 ( -0.054 -15.831 4.615) 16.490 ======================= Grid point 365 (168/413) ======================= q-point: ( 0.08 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 3.318 5.653 13.980) 15.440 1.270 ( 9.811 12.418 9.440) 18.428 2.105 ( 6.463 4.836 -4.647) 9.314 2.184 ( 2.947 16.619 14.404) 22.190 2.393 ( -0.201 3.521 -5.607) 6.624 3.004 ( -4.503 -2.990 -1.570) 5.629 3.726 ( 12.319 2.921 -1.616) 12.764 4.426 ( -0.794 6.533 -1.156) 6.682 4.498 ( 2.155 -2.839 1.672) 3.937 5.634 ( 7.949 -18.736 -14.129) 24.776 7.271 ( -1.932 8.812 7.505) 11.735 8.566 ( -7.668 8.144 1.143) 11.244 24.896 ( -1.389 29.381 -2.562) 29.525 27.226 ( 0.934 4.164 0.686) 4.322 28.501 ( 4.872 -5.337 0.060) 7.226 32.612 ( -3.038 -33.487 -1.988) 33.683 96.144 ( -2.449 17.339 -7.487) 19.045 98.484 ( -4.959 -14.125 3.490) 15.372 ======================= Grid point 366 (169/413) ======================= q-point: ( 0.15 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 7.256 1.253 12.956) 14.902 1.541 ( 11.153 8.681 9.259) 16.896 2.197 ( 5.044 0.420 -4.780) 6.962 2.252 ( 1.786 5.710 -4.772) 7.653 2.467 ( 6.927 10.643 9.244) 15.707 2.895 ( -5.391 0.129 -1.988) 5.747 3.983 ( 15.602 2.046 -2.887) 15.998 4.398 ( -1.168 6.410 -1.151) 6.617 4.616 ( 7.061 -6.498 7.652) 12.274 5.688 ( 9.671 -19.564 -17.161) 27.763 7.286 ( -2.846 7.082 8.249) 11.238 8.390 ( -11.185 8.589 0.416) 14.109 24.854 ( -1.556 28.526 -1.262) 28.596 27.256 ( 1.700 5.170 0.634) 5.479 28.608 ( 6.616 -5.073 -0.815) 8.376 32.519 ( -5.243 -32.579 -1.881) 33.052 96.057 ( -2.386 15.916 -3.953) 16.572 98.395 ( -6.647 -11.572 2.964) 13.671 ======================= Grid point 367 (170/413) ======================= q-point: ( 0.23 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 7.827 -1.206 10.407) 13.077 1.794 ( 8.846 5.804 8.000) 13.264 2.153 ( -1.006 -2.481 -7.945) 8.384 2.331 ( 6.079 6.619 -1.806) 9.167 2.681 ( 8.717 6.105 4.464) 11.540 2.795 ( -3.442 0.899 0.434) 3.584 4.220 ( 11.658 1.960 -3.075) 12.215 4.373 ( -0.559 4.151 -0.602) 4.232 4.858 ( 10.307 -11.195 12.154) 19.475 5.749 ( 11.462 -17.116 -18.959) 27.996 7.276 ( -4.475 4.905 7.400) 9.942 8.177 ( -11.566 6.937 0.211) 13.488 24.821 ( -1.347 27.771 -0.583) 27.809 27.296 ( 2.075 6.683 0.513) 7.017 28.726 ( 6.626 -4.055 -0.989) 7.831 32.399 ( -6.108 -31.441 -1.580) 32.067 95.999 ( -1.573 14.539 -1.905) 14.747 98.290 ( -6.528 -9.387 2.255) 11.654 ======================= Grid point 368 (171/413) ======================= q-point: ( 0.31 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( 6.684 -1.937 7.679) 10.363 1.965 ( 3.832 3.196 4.447) 6.684 2.093 ( 1.239 -2.147 -6.664) 7.110 2.411 ( 3.026 7.377 -0.518) 7.990 2.696 ( -2.853 6.505 0.371) 7.113 2.923 ( 9.580 -4.670 2.968) 11.063 4.333 ( 0.524 1.140 0.557) 1.373 4.409 ( 6.092 1.593 -0.952) 6.369 5.124 ( 8.581 -14.909 9.990) 19.893 5.863 ( 14.973 -13.066 -16.076) 25.561 7.223 ( -6.320 2.483 5.611) 8.809 7.975 ( -10.111 3.856 0.142) 10.822 24.795 ( -1.042 27.357 -0.307) 27.378 27.337 ( 1.946 8.368 0.348) 8.598 28.835 ( 5.671 -2.817 -0.723) 6.373 32.279 ( -5.520 -30.284 -1.188) 30.806 95.968 ( -0.808 13.589 -0.891) 13.642 98.191 ( -5.539 -7.603 1.454) 9.518 ======================= Grid point 369 (172/413) ======================= q-point: ( 0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 3.363 -2.240 4.396) 5.971 1.982 ( -1.226 0.494 0.085) 1.324 2.125 ( 4.060 0.590 -3.520) 5.406 2.439 ( 0.763 5.947 0.461) 6.014 2.664 ( -1.637 7.306 2.172) 7.796 3.094 ( 6.896 -7.598 0.686) 10.284 4.327 ( -0.887 -1.059 0.398) 1.438 4.508 ( 3.652 0.178 1.700) 4.033 5.307 ( 5.419 -15.141 5.200) 16.901 6.066 ( 16.121 -10.106 -9.587) 21.305 7.127 ( -7.379 -0.439 3.604) 8.224 7.810 ( -7.585 0.474 0.024) 7.600 24.778 ( -0.651 27.309 -0.212) 27.318 27.370 ( 1.296 9.825 0.188) 9.912 28.922 ( 4.028 -1.853 -0.375) 4.450 32.185 ( -3.586 -29.298 -0.803) 29.528 95.954 ( -0.217 13.084 -0.415) 13.092 98.109 ( -4.043 -6.209 0.766) 7.448 ======================= Grid point 370 (173/413) ======================= q-point: (-0.54 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -4.672 -0.353 -0.497) 4.712 1.995 ( -0.841 0.698 2.941) 3.137 2.149 ( 1.932 0.551 -3.621) 4.141 2.481 ( 3.584 2.283 1.350) 4.459 2.656 ( -0.977 7.568 1.651) 7.808 3.175 ( 1.420 -6.910 -0.291) 7.060 4.312 ( -0.635 -2.304 -0.074) 2.391 4.569 ( 1.370 -1.247 2.803) 3.360 5.401 ( 1.058 -12.862 3.495) 13.371 6.290 ( 12.891 -7.230 -5.029) 15.613 7.016 ( -6.021 -4.929 1.755) 7.977 7.699 ( -4.368 -1.967 -0.054) 4.791 24.769 ( -0.158 27.568 -0.174) 27.569 27.386 ( 0.262 10.693 0.088) 10.697 28.976 ( 1.942 -1.499 -0.162) 2.459 32.140 ( -0.715 -28.641 -0.517) 28.655 95.953 ( 0.309 12.971 -0.199) 12.976 98.054 ( -2.319 -5.268 0.319) 5.765 ======================= Grid point 371 (174/413) ======================= q-point: (-0.46 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( -8.677 2.421 0.331) 9.014 1.923 ( -7.513 1.426 -0.269) 7.652 2.179 ( 2.669 -1.196 -0.228) 2.934 2.587 ( 6.732 -0.312 0.321) 6.747 2.650 ( -0.389 7.160 0.336) 7.179 3.136 ( -5.486 -3.709 -0.278) 6.628 4.310 ( 0.693 -1.650 -0.298) 1.814 4.600 ( -0.203 -2.837 2.644) 3.884 5.382 ( -6.080 -9.967 3.265) 12.123 6.438 ( 4.957 -1.394 -1.912) 5.493 6.963 ( 0.777 -12.384 -0.572) 12.421 7.649 ( -1.115 -2.678 0.398) 2.928 24.770 ( 0.429 28.047 -0.150) 28.051 27.381 ( -0.879 10.752 0.082) 10.788 28.990 ( -0.289 -1.941 -0.165) 1.969 32.152 ( 2.405 -28.421 -0.412) 28.526 95.963 ( 0.975 13.262 -0.138) 13.299 98.028 ( -0.646 -4.833 0.201) 4.880 ======================= Grid point 372 (175/413) ======================= q-point: (-0.38 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -11.437 5.367 1.441) 12.716 1.742 ( -11.487 1.128 0.521) 11.554 2.231 ( 2.630 -1.935 0.374) 3.286 2.641 ( -0.300 6.545 -1.631) 6.752 2.718 ( 6.943 -1.387 -0.784) 7.124 2.974 ( -11.524 0.378 0.802) 11.558 4.336 ( 2.384 1.067 -0.527) 2.664 4.596 ( -2.194 -4.778 1.927) 5.599 5.218 ( -13.722 -6.342 2.457) 15.315 6.446 ( -2.755 1.354 0.649) 3.137 7.042 ( 8.478 -16.220 -3.816) 18.696 7.661 ( 1.331 -1.670 2.357) 3.180 24.783 ( 1.108 28.668 -0.158) 28.689 27.356 ( -1.811 9.997 0.163) 10.161 28.963 ( -2.414 -3.188 -0.406) 4.020 32.219 ( 5.008 -28.685 -0.510) 29.123 95.989 ( 2.075 14.047 -0.290) 14.202 98.032 ( 0.784 -4.906 0.565) 5.000 ======================= Grid point 373 (176/413) ======================= q-point: (-0.31 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( -13.099 6.885 1.970) 14.928 1.530 ( -12.551 3.269 4.595) 13.760 2.277 ( 2.181 -2.054 -0.045) 2.996 2.585 ( -6.071 6.606 -4.347) 9.970 2.706 ( -10.426 4.885 3.568) 12.054 2.877 ( 5.442 -2.394 -2.098) 6.305 4.373 ( 1.292 2.783 -1.666) 3.491 4.549 ( -3.942 -5.265 2.428) 7.010 4.927 ( -17.731 -1.311 0.446) 17.785 6.374 ( -5.280 -2.277 0.548) 5.776 7.178 ( 9.542 -12.467 -7.351) 17.335 7.740 ( 3.949 -0.092 7.065) 8.095 24.809 ( 1.915 29.365 -0.290) 29.429 27.319 ( -2.307 8.631 0.297) 8.939 28.895 ( -4.370 -5.030 -0.927) 6.727 32.324 ( 6.518 -29.402 -0.734) 30.125 96.040 ( 3.932 15.394 -0.980) 15.919 98.066 ( 1.990 -5.488 1.727) 6.088 ======================= Grid point 374 (177/413) ======================= q-point: (-0.23 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -13.728 6.229 3.211) 15.413 1.366 ( -10.489 9.030 9.603) 16.846 2.292 ( -6.006 4.477 0.115) 7.492 2.338 ( -10.571 5.448 1.483) 11.984 2.603 ( -3.692 5.401 -1.344) 6.678 2.968 ( 5.796 -3.194 -3.928) 7.696 4.275 ( -12.329 -4.295 -0.713) 13.076 4.528 ( -0.284 4.926 2.043) 5.341 4.632 ( -10.915 1.751 -2.070) 11.247 6.250 ( -7.368 -8.448 -3.336) 11.696 7.263 ( 5.719 -4.093 -9.026) 11.442 7.926 ( 8.654 0.848 12.218) 14.997 24.850 ( 2.868 30.025 -0.778) 30.171 27.278 ( -2.298 6.986 0.438) 7.367 28.787 ( -6.286 -6.846 -1.643) 9.438 32.442 ( 6.719 -30.479 -0.933) 31.225 96.122 ( 6.495 17.037 -3.050) 18.486 98.135 ( 3.371 -6.771 4.053) 8.582 ======================= Grid point 375 (178/413) ======================= q-point: (-0.15 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -10.291 7.823 7.148) 14.771 1.267 ( -8.925 12.937 10.977) 19.171 2.038 ( -15.420 18.125 9.175) 25.504 2.292 ( -2.988 -0.313 -1.598) 3.403 2.528 ( -1.555 4.678 -4.473) 6.657 3.027 ( 3.987 -3.550 -4.631) 7.067 3.970 ( -17.370 -0.664 -0.130) 17.383 4.472 ( -3.269 2.713 -2.002) 4.696 4.566 ( -0.076 3.918 1.134) 4.079 6.042 ( -9.840 -13.106 -9.568) 18.977 7.272 ( 1.587 3.906 -5.617) 7.023 8.217 ( 11.840 2.273 12.788) 17.575 24.901 ( 3.547 30.353 -2.025) 30.627 27.242 ( -1.845 5.433 0.546) 5.764 28.642 ( -7.700 -7.382 -1.778) 10.814 32.552 ( 5.686 -31.814 -1.055) 32.336 96.225 ( 7.986 18.079 -7.441) 21.119 98.255 ( 5.300 -9.485 6.836) 12.837 ======================= Grid point 376 (179/413) ======================= q-point: (-0.08 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -2.360 10.355 11.099) 15.362 1.169 ( -9.290 14.596 9.214) 19.602 1.920 ( -6.950 22.000 16.562) 28.400 2.185 ( -5.364 3.803 -3.306) 7.360 2.488 ( 0.822 3.237 -6.113) 6.966 3.057 ( 2.457 -4.292 -3.318) 5.956 3.699 ( -10.341 2.664 -0.861) 10.713 4.434 ( -0.410 1.853 -0.098) 1.900 4.551 ( -2.060 1.841 -0.193) 2.769 5.783 ( -7.512 -13.420 -13.013) 20.146 7.258 ( -0.597 8.390 0.070) 8.412 8.499 ( 8.787 3.768 8.547) 12.824 24.940 ( 2.570 30.168 -3.767) 30.511 27.219 ( -1.062 4.317 0.616) 4.488 28.499 ( -5.891 -6.006 -0.302) 8.418 32.630 ( 3.439 -33.159 -1.334) 33.363 96.283 ( 5.158 18.151 -11.909) 22.314 98.412 ( 5.197 -13.770 6.939) 16.272 ======================= Grid point 377 (180/413) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 2.021 13.983 3.940) 14.668 1.422 ( -1.199 15.217 6.450) 16.571 2.185 ( 0.151 4.480 -4.347) 6.244 2.391 ( 0.520 9.687 3.399) 10.279 2.515 ( -0.529 8.758 2.721) 9.186 2.989 ( -0.262 -1.654 -0.421) 1.727 3.704 ( 1.417 6.341 -1.612) 6.694 4.442 ( 1.102 -1.765 1.643) 2.652 4.472 ( -3.567 -1.970 -0.648) 4.127 5.439 ( 1.802 -6.666 -19.249) 20.450 7.494 ( -1.229 13.600 4.880) 14.501 8.666 ( 0.042 -1.232 8.855) 8.941 25.621 ( -0.025 38.827 -4.060) 39.039 27.309 ( -0.144 5.757 0.676) 5.798 28.323 ( 0.148 -7.154 0.742) 7.194 31.855 ( 0.112 -45.771 -2.248) 45.826 96.568 ( 0.092 14.778 -10.099) 17.899 98.191 ( -0.046 -15.623 3.874) 16.096 ======================= Grid point 378 (181/413) ======================= q-point: ( 0.08 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 1.380 10.172 7.270) 12.579 1.533 ( 6.992 13.352 6.414) 16.380 2.183 ( 2.517 2.571 -4.457) 5.728 2.363 ( 0.534 0.605 -9.624) 9.658 2.593 ( 1.240 16.021 12.907) 20.611 2.964 ( -2.333 -0.442 0.161) 2.380 3.806 ( 10.498 5.187 -1.703) 11.833 4.421 ( -0.750 -3.484 1.810) 3.997 4.490 ( 1.617 -0.351 -0.756) 1.820 5.369 ( 5.465 -9.304 -19.001) 21.851 7.495 ( -3.414 13.120 7.525) 15.505 8.644 ( -7.720 0.271 5.847) 9.688 25.578 ( -1.450 38.854 -3.295) 39.020 27.329 ( 1.757 6.161 0.707) 6.445 28.375 ( 4.707 -7.182 0.358) 8.594 31.818 ( -2.229 -45.626 -2.371) 45.742 96.478 ( -2.365 15.868 -7.621) 17.761 98.188 ( -2.732 -15.210 2.829) 15.710 ======================= Grid point 379 (182/413) ======================= q-point: ( 0.15 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 4.477 5.878 9.004) 11.647 1.732 ( 8.681 10.093 6.311) 14.733 2.170 ( -0.516 -2.468 -6.534) 7.003 2.344 ( 5.249 2.919 -7.312) 9.463 2.708 ( 2.005 12.502 9.191) 15.646 2.912 ( -3.131 1.819 0.376) 3.640 4.034 ( 14.363 3.094 -2.288) 14.870 4.443 ( -0.479 -3.028 2.337) 3.855 4.510 ( 2.442 -2.150 1.243) 3.483 5.365 ( 8.851 -13.287 -18.819) 24.679 7.473 ( -5.332 11.241 8.500) 15.068 8.486 ( -12.467 1.346 3.939) 13.144 25.527 ( -1.763 38.705 -2.186) 38.807 27.382 ( 3.263 7.402 0.688) 8.119 28.489 ( 7.183 -6.777 -0.227) 9.878 31.743 ( -3.936 -44.780 -2.215) 45.007 96.384 ( -2.704 16.468 -4.714) 17.342 98.141 ( -4.040 -13.666 2.104) 14.406 ======================= Grid point 380 (183/413) ======================= q-point: ( 0.23 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( 6.426 2.434 8.462) 10.901 1.923 ( 6.819 6.905 5.240) 11.028 2.096 ( -0.968 -3.106 -7.501) 8.176 2.433 ( 7.399 2.984 -2.751) 8.439 2.771 ( -1.283 3.950 3.653) 5.531 2.880 ( 0.228 6.585 1.114) 6.683 4.258 ( 10.434 1.788 -2.269) 10.826 4.411 ( -2.351 -0.466 -0.312) 2.417 4.635 ( 6.956 -9.973 6.278) 13.684 5.428 ( 12.162 -15.220 -17.188) 25.980 7.416 ( -7.263 8.787 7.732) 13.775 8.259 ( -14.108 1.283 2.607) 14.404 25.484 ( -1.494 38.481 -1.283) 38.532 27.456 ( 4.035 9.220 0.601) 10.083 28.628 ( 7.761 -5.778 -0.500) 9.688 31.647 ( -4.641 -43.539 -1.816) 43.823 96.314 ( -2.005 16.523 -2.594) 16.845 98.076 ( -4.175 -11.882 1.513) 12.685 ======================= Grid point 381 (184/413) ======================= q-point: ( 0.31 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 6.280 0.643 6.669) 9.183 2.006 ( 0.024 -0.306 -2.987) 3.003 2.087 ( 4.381 2.638 -0.333) 5.124 2.546 ( 4.407 4.950 0.076) 6.628 2.744 ( -2.480 -0.811 3.901) 4.693 2.920 ( 3.423 4.452 -1.899) 5.928 4.327 ( -2.148 -1.655 0.551) 2.767 4.425 ( 4.239 -0.197 -0.019) 4.244 4.823 ( 8.889 -13.973 3.369) 16.900 5.575 ( 14.923 -15.770 -12.081) 24.846 7.314 ( -8.927 6.455 5.730) 12.418 8.016 ( -13.290 0.149 1.490) 13.374 25.454 ( -1.006 38.410 -0.659) 38.428 27.534 ( 3.849 11.210 0.464) 11.861 28.762 ( 6.857 -4.575 -0.476) 8.257 31.552 ( -4.182 -42.216 -1.285) 42.442 96.271 ( -1.114 16.380 -1.354) 16.473 98.012 ( -3.608 -10.196 0.989) 10.860 ======================= Grid point 382 (185/413) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 3.335 -0.182 3.483) 4.826 1.985 ( 0.424 -0.157 -1.123) 1.210 2.157 ( 3.258 2.567 -1.593) 4.443 2.554 ( -2.478 4.740 0.293) 5.356 2.772 ( 0.203 2.591 5.975) 6.516 2.977 ( 5.215 -2.636 -3.932) 7.043 4.282 ( -2.635 -3.288 0.610) 4.258 4.491 ( 1.980 -2.241 1.760) 3.470 5.000 ( 7.977 -14.592 1.466) 16.694 5.791 ( 15.077 -17.003 -6.608) 23.666 7.171 ( -9.764 4.684 3.223) 11.299 7.800 ( -10.449 -1.570 0.568) 10.581 25.437 ( -0.419 38.574 -0.256) 38.578 27.599 ( 2.672 12.904 0.331) 13.182 28.868 ( 4.805 -3.616 -0.357) 6.024 31.480 ( -2.604 -41.078 -0.757) 41.168 96.251 ( -0.312 16.266 -0.708) 16.285 97.959 ( -2.643 -8.787 0.565) 9.193 ======================= Grid point 383 (186/413) ======================= q-point: (-0.54 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( -1.754 1.053 -0.184) 2.054 2.004 ( -0.614 0.273 2.810) 2.890 2.177 ( 0.948 2.106 -3.401) 4.111 2.525 ( -0.061 1.692 1.075) 2.006 2.795 ( -1.124 6.104 2.914) 6.857 3.048 ( 4.002 -5.218 -1.862) 6.835 4.250 ( -0.824 -3.727 0.332) 3.832 4.527 ( 0.490 -3.110 2.139) 3.806 5.128 ( 3.923 -13.774 2.176) 14.487 6.020 ( 13.047 -18.963 -3.228) 23.243 7.008 ( -8.982 3.671 0.874) 9.743 7.647 ( -6.034 -3.180 0.077) 6.821 25.435 ( 0.229 38.934 -0.027) 38.935 27.634 ( 0.747 13.885 0.262) 13.907 28.930 ( 1.996 -3.229 -0.300) 3.808 31.449 ( -0.234 -40.316 -0.369) 40.318 96.248 ( 0.461 16.262 -0.397) 16.273 97.923 ( -1.517 -7.800 0.284) 7.951 ======================= Grid point 384 (187/413) ======================= q-point: (-0.46 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -5.080 4.362 0.553) 6.718 1.945 ( -7.119 0.784 -0.062) 7.162 2.175 ( 1.081 0.780 -0.614) 1.468 2.577 ( 4.608 -0.803 0.295) 4.686 2.787 ( -0.817 6.291 0.449) 6.359 3.070 ( -1.287 -2.672 -0.310) 2.982 4.267 ( 2.702 -2.402 0.209) 3.622 4.535 ( -1.272 -3.547 1.544) 4.072 5.163 ( -2.421 -11.570 3.001) 12.196 6.212 ( 8.775 -20.727 -1.459) 22.555 6.872 ( -4.803 3.173 -0.875) 5.823 7.582 ( -1.106 -4.003 0.439) 4.176 25.445 ( 0.920 39.386 0.035) 39.397 27.629 ( -1.417 13.904 0.284) 13.979 28.936 ( -1.098 -3.583 -0.352) 3.764 31.466 ( 2.321 -40.046 -0.233) 40.114 96.263 ( 1.426 16.378 -0.305) 16.442 97.907 ( -0.429 -7.318 0.198) 7.333 ======================= Grid point 385 (188/413) ======================= q-point: (-0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -7.818 8.153 -0.034) 11.295 1.776 ( -9.921 2.554 1.336) 10.331 2.203 ( 1.770 -0.796 0.441) 1.990 2.676 ( 6.004 -2.445 -1.800) 6.728 2.773 ( -0.446 6.093 -0.883) 6.173 2.991 ( -7.342 1.262 1.191) 7.544 4.348 ( 5.381 0.231 -0.650) 5.425 4.499 ( -3.327 -4.372 1.148) 5.612 5.079 ( -8.605 -7.417 2.651) 11.666 6.289 ( 0.050 -19.328 -1.860) 19.417 6.860 ( 5.098 0.644 -1.162) 5.268 7.609 ( 2.888 -3.564 2.204) 5.089 25.469 ( 1.654 39.812 -0.086) 39.847 27.588 ( -3.228 12.976 0.373) 13.376 28.885 ( -4.012 -4.648 -0.490) 6.160 31.528 ( 4.372 -40.332 -0.387) 40.570 96.299 ( 2.850 16.569 -0.501) 16.819 97.910 ( 0.500 -7.351 0.420) 7.380 ======================= Grid point 386 (189/413) ======================= q-point: (-0.31 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -11.023 8.594 -2.768) 14.249 1.650 ( -7.178 8.915 6.939) 13.384 2.241 ( 1.974 -1.653 -0.064) 2.576 2.707 ( -1.786 3.962 -5.520) 7.026 2.773 ( -1.030 1.418 -0.912) 1.975 2.863 ( -4.067 2.722 3.734) 6.155 4.347 ( -5.741 -3.769 -2.390) 7.271 4.516 ( 4.740 1.138 1.885) 5.226 4.896 ( -11.907 -2.032 0.854) 12.109 6.200 ( -5.931 -16.370 -5.223) 18.178 7.024 ( 11.832 -1.413 -0.457) 11.925 7.719 ( 5.777 -2.176 6.060) 8.651 25.505 ( 2.430 40.086 -0.446) 40.162 27.520 ( -4.253 11.346 0.480) 12.126 28.783 ( -6.390 -6.139 -0.677) 8.887 31.616 ( 5.445 -41.157 -0.760) 41.522 96.363 ( 4.845 16.647 -1.320) 17.388 97.932 ( 1.279 -7.891 1.159) 8.078 ======================= Grid point 387 (190/413) ======================= q-point: (-0.23 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -9.302 11.722 -1.637) 15.053 1.591 ( -5.656 12.940 8.588) 16.529 2.271 ( 1.605 -1.973 -1.027) 2.743 2.551 ( -11.030 10.761 1.337) 15.468 2.699 ( -3.118 3.596 -3.111) 5.686 2.909 ( 3.875 -1.915 -0.731) 4.384 4.176 ( -10.566 -3.890 -0.791) 11.287 4.599 ( 0.747 2.164 -0.450) 2.333 4.686 ( -8.219 2.637 -0.409) 8.641 6.016 ( -7.601 -15.356 -10.098) 19.888 7.242 ( 11.133 2.112 -1.377) 11.414 7.921 ( 9.246 -1.386 11.708) 14.983 25.552 ( 3.135 40.052 -1.164) 40.192 27.443 ( -4.329 9.402 0.562) 10.366 28.644 ( -7.900 -7.465 -0.792) 10.898 31.712 ( 5.406 -42.392 -1.200) 42.752 96.457 ( 6.862 16.214 -3.378) 17.927 97.976 ( 2.075 -9.048 2.599) 9.640 ======================= Grid point 388 (191/413) ======================= q-point: (-0.15 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -4.323 15.297 0.378) 15.901 1.545 ( -6.057 14.499 7.445) 17.388 2.277 ( -0.002 -1.255 -2.042) 2.397 2.385 ( -9.373 15.951 7.812) 20.082 2.616 ( -2.233 3.634 -5.512) 6.970 2.961 ( 2.805 -2.379 -2.217) 4.294 3.963 ( -11.550 0.379 -0.155) 11.557 4.482 ( -5.855 0.973 -1.733) 6.183 4.651 ( -1.863 2.245 0.427) 2.949 5.789 ( -6.418 -12.962 -15.161) 20.954 7.394 ( 6.295 7.819 -1.298) 10.122 8.218 ( 11.540 -1.678 14.577) 18.667 25.600 ( 3.272 39.609 -2.351) 39.813 27.373 ( -3.521 7.575 0.608) 8.375 28.489 ( -7.809 -7.907 -0.512) 11.125 31.794 ( 4.363 -43.811 -1.592) 44.057 96.555 ( 7.141 15.094 -6.882) 18.060 98.048 ( 2.869 -11.131 4.301) 12.273 ======================= Grid point 389 (192/413) ======================= q-point: (-0.08 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 1.098 16.387 2.190) 16.570 1.468 ( -6.876 14.889 5.819) 17.402 2.236 ( -2.049 2.553 -3.281) 4.635 2.340 ( -3.199 17.061 11.750) 20.962 2.548 ( -0.604 3.053 -5.895) 6.667 2.985 ( 1.427 -2.097 -1.751) 3.082 3.774 ( -7.417 4.795 -0.991) 8.888 4.418 ( -0.746 -0.897 0.640) 1.330 4.576 ( -5.744 -0.441 -0.126) 5.763 5.581 ( -2.408 -8.618 -18.439) 20.495 7.467 ( 1.854 11.941 1.405) 12.166 8.510 ( 8.034 -1.929 12.609) 15.075 25.630 ( 2.086 39.024 -3.656) 39.250 27.325 ( -2.031 6.265 0.637) 6.617 28.365 ( -4.958 -7.458 0.275) 8.960 31.846 ( 2.499 -45.083 -1.943) 45.194 96.603 ( 4.243 14.264 -9.986) 17.922 98.135 ( 2.474 -13.923 4.819) 14.940 ======================= Grid point 390 (193/413) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 1.407 14.862 -3.392) 15.309 1.704 ( -0.682 12.937 4.366) 13.671 2.236 ( 0.045 0.553 -2.831) 2.884 2.367 ( 0.436 -6.023 -11.939) 13.379 2.805 ( -0.474 13.925 12.603) 18.788 3.016 ( 0.149 4.043 -0.075) 4.046 3.849 ( 1.572 8.084 -1.767) 8.423 4.405 ( -1.320 -3.237 -1.689) 3.882 4.447 ( -1.564 1.660 0.095) 2.283 5.290 ( 1.900 -9.240 -18.304) 20.591 7.777 ( -1.027 14.423 6.266) 15.758 8.601 ( -0.050 -5.008 10.962) 12.052 26.477 ( -0.101 46.931 -3.882) 47.091 27.441 ( -0.170 7.482 0.663) 7.513 28.164 ( 0.189 -8.679 0.668) 8.707 30.856 ( 0.053 -53.843 -2.871) 53.920 96.840 ( 0.134 12.862 -7.119) 14.701 97.888 ( -0.018 -14.766 1.937) 14.893 ======================= Grid point 391 (194/413) ======================= q-point: ( 0.08 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.232 11.885 0.198) 11.889 1.786 ( 5.324 11.841 3.987) 13.581 2.187 ( -1.930 -2.542 -5.794) 6.615 2.330 ( 3.886 -2.830 -8.966) 10.173 2.887 ( -0.065 12.228 10.462) 16.093 3.002 ( -1.526 4.204 -0.212) 4.477 3.929 ( 8.253 6.987 -1.881) 10.976 4.368 ( -0.592 -1.945 -0.272) 2.051 4.465 ( 1.832 -0.881 -1.080) 2.302 5.193 ( 1.947 -9.578 -17.914) 20.406 7.773 ( -4.901 14.300 8.110) 17.155 8.598 ( -7.579 -4.493 8.562) 12.286 26.435 ( -1.358 46.905 -3.502) 47.055 27.470 ( 2.684 7.909 0.705) 8.382 28.218 ( 4.865 -8.567 0.441) 9.862 30.821 ( -1.496 -53.750 -2.912) 53.849 96.776 ( -1.658 14.218 -5.873) 15.472 97.886 ( -1.384 -14.938 1.335) 15.061 ======================= Grid point 392 (195/413) ======================= q-point: ( 0.15 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 2.497 8.528 3.314) 9.484 1.930 ( 6.561 9.508 3.602) 12.100 2.100 ( -1.743 -4.514 -7.523) 8.945 2.367 ( 5.306 -0.497 -5.147) 7.409 2.931 ( -2.482 8.969 3.895) 10.088 2.976 ( -0.288 4.875 2.246) 5.375 4.108 ( 11.775 4.454 -2.058) 12.756 4.377 ( 0.559 -1.930 1.375) 2.435 4.474 ( 0.163 -2.240 -1.587) 2.750 5.120 ( 4.326 -12.188 -16.790) 21.193 7.716 ( -7.786 12.666 8.696) 17.224 8.459 ( -12.749 -3.691 6.524) 14.789 26.383 ( -1.673 46.875 -2.641) 46.979 27.547 ( 4.947 9.099 0.703) 10.381 28.340 ( 7.804 -8.148 0.047) 11.282 30.762 ( -2.648 -53.019 -2.640) 53.150 96.703 ( -2.111 15.537 -4.069) 16.199 97.861 ( -2.143 -14.286 0.901) 14.474 ======================= Grid point 393 (196/413) ======================= q-point: ( 0.23 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 4.784 5.171 4.725) 8.483 2.017 ( -0.272 -2.367 -6.061) 6.512 2.074 ( 4.971 5.682 2.230) 7.872 2.447 ( 5.837 -1.218 -1.735) 6.210 2.871 ( -4.308 5.823 0.337) 7.251 3.004 ( 0.681 5.258 1.369) 5.475 4.293 ( 7.313 2.010 -1.821) 7.800 4.376 ( -0.997 -2.104 -0.417) 2.365 4.485 ( 2.895 -5.352 1.023) 6.170 5.129 ( 8.768 -14.997 -13.572) 22.045 7.611 ( -9.774 10.436 7.663) 16.222 8.238 ( -14.986 -3.103 4.633) 15.989 26.339 ( -1.349 46.913 -1.699) 46.963 27.657 ( 6.113 10.795 0.624) 12.421 28.496 ( 8.723 -7.457 -0.202) 11.478 30.690 ( -3.149 -51.899 -2.098) 52.037 96.644 ( -1.681 16.423 -2.499) 16.697 97.824 ( -2.246 -13.238 0.623) 13.442 ======================= Grid point 394 (197/413) ======================= q-point: ( 0.31 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 5.475 2.741 4.591) 7.653 1.977 ( 0.711 -1.886 -4.882) 5.282 2.169 ( 3.425 4.806 1.329) 6.049 2.547 ( 4.026 -3.709 2.101) 5.863 2.798 ( -2.829 5.738 -0.335) 6.406 3.010 ( 0.106 3.489 -1.650) 3.861 4.282 ( -3.922 -2.321 -0.093) 4.558 4.392 ( 0.720 -3.284 0.524) 3.402 4.610 ( 9.194 -6.679 -1.009) 11.409 5.245 ( 11.627 -16.933 -8.093) 22.077 7.466 ( -10.765 8.444 5.325) 14.681 7.986 ( -14.564 -2.933 2.690) 15.097 26.310 ( -0.750 47.093 -0.874) 47.107 27.774 ( 5.858 12.633 0.485) 13.934 28.650 ( 7.813 -6.697 -0.268) 10.294 30.620 ( -2.825 -50.713 -1.405) 50.811 96.605 ( -0.946 16.920 -1.436) 17.007 97.789 ( -1.914 -12.092 0.427) 12.250 ======================= Grid point 395 (198/413) ======================= q-point: ( 0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 3.272 1.567 2.503) 4.408 1.978 ( 1.958 -0.500 -1.531) 2.535 2.221 ( 1.940 3.678 -0.546) 4.194 2.574 ( -3.055 -3.157 2.304) 4.961 2.810 ( 3.563 3.366 2.140) 5.349 2.989 ( 0.075 1.915 -3.666) 4.137 4.211 ( -3.435 -3.295 0.652) 4.804 4.408 ( 0.753 -6.000 1.282) 6.181 4.770 ( 8.010 -7.730 -0.394) 11.139 5.421 ( 11.365 -19.238 -3.746) 22.656 7.295 ( -10.524 7.191 2.405) 12.971 7.751 ( -11.803 -3.246 0.905) 12.275 26.298 ( -0.073 47.404 -0.250) 47.405 27.872 ( 4.123 14.194 0.349) 14.785 28.773 ( 5.427 -6.090 -0.266) 8.162 30.570 ( -1.622 -49.724 -0.721) 49.756 96.587 ( -0.203 17.172 -0.816) 17.193 97.761 ( -1.357 -11.055 0.275) 11.141 ======================= Grid point 396 (199/413) ======================= q-point: (-0.54 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 0.550 2.186 -0.008) 2.254 2.006 ( -0.308 -0.141 1.520) 1.557 2.232 ( 0.120 3.378 -1.814) 3.836 2.530 ( -1.589 -1.384 1.248) 2.450 2.889 ( 0.656 3.305 3.800) 5.079 2.985 ( 3.343 -1.094 -3.781) 5.164 4.179 ( -0.261 -2.982 0.911) 3.129 4.440 ( 1.181 -5.717 2.024) 6.179 4.890 ( 4.480 -9.054 1.140) 10.166 5.597 ( 9.327 -22.093 -1.477) 24.027 7.122 ( -8.628 6.854 -0.141) 11.020 7.575 ( -7.137 -4.020 -0.195) 8.194 26.303 ( 0.598 47.766 0.119) 47.770 27.926 ( 1.251 15.067 0.292) 15.121 28.841 ( 2.056 -5.812 -0.307) 6.173 30.553 ( 0.257 -49.067 -0.214) 49.068 96.585 ( 0.540 17.263 -0.496) 17.279 97.743 ( -0.732 -10.279 0.164) 10.306 ======================= Grid point 397 (200/413) ======================= q-point: (-0.46 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -1.070 4.623 0.525) 4.774 1.959 ( -5.235 0.790 -0.012) 5.295 2.211 ( -0.849 2.985 -0.548) 3.151 2.550 ( 2.698 -2.007 0.373) 3.383 2.894 ( -0.695 4.368 0.445) 4.446 3.032 ( 1.642 -1.328 -0.303) 2.133 4.227 ( 4.767 -1.286 1.144) 5.068 4.465 ( -0.274 -3.470 1.326) 3.725 4.947 ( 0.112 -9.328 2.428) 9.639 5.735 ( 6.257 -25.016 -1.033) 25.808 6.990 ( -4.403 7.238 -1.273) 8.567 7.492 ( -1.488 -4.960 -0.045) 5.179 26.321 ( 1.237 48.069 0.199) 48.085 27.921 ( -1.990 15.005 0.348) 15.141 28.842 ( -1.686 -5.966 -0.407) 6.213 30.576 ( 2.265 -48.797 -0.035) 48.850 96.600 ( 1.440 17.185 -0.399) 17.250 97.736 ( -0.141 -9.843 0.119) 9.845 ======================= Grid point 398 (201/413) ======================= q-point: (-0.38 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( -7.308 4.389 -2.105) 8.781 1.879 ( -2.330 7.996 2.618) 8.731 2.203 ( 0.011 1.075 0.384) 1.142 2.615 ( 4.235 -3.704 -1.436) 5.806 2.883 ( -0.308 4.864 -0.796) 4.938 3.018 ( -3.474 1.223 1.320) 3.912 4.356 ( 6.825 0.880 -0.264) 6.887 4.443 ( -1.636 -0.811 0.588) 1.918 4.929 ( -3.978 -7.400 2.728) 8.833 5.802 ( 2.080 -26.693 -2.897) 26.930 6.963 ( 2.509 7.338 -0.088) 7.756 7.520 ( 3.775 -5.330 1.684) 6.745 26.350 ( 1.846 48.215 -0.018) 48.250 27.860 ( -4.701 14.061 0.468) 14.833 28.775 ( -5.145 -6.529 -0.499) 8.327 30.633 ( 3.749 -48.997 -0.246) 49.140 96.634 ( 2.654 16.841 -0.582) 17.059 97.740 ( 0.369 -9.757 0.213) 9.766 ======================= Grid point 399 (202/413) ======================= q-point: (-0.31 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -6.852 9.048 -3.084) 11.761 1.861 ( -2.335 11.104 4.713) 12.286 2.214 ( 0.964 -0.811 -0.347) 1.307 2.668 ( 3.364 -4.902 -4.776) 7.627 2.865 ( -1.739 5.728 -0.629) 6.019 2.943 ( -5.219 4.051 3.758) 7.600 4.314 ( -5.935 1.608 -3.028) 6.854 4.545 ( 7.077 1.600 1.222) 7.358 4.841 ( -6.840 -3.465 1.315) 7.780 5.765 ( -1.896 -25.404 -7.245) 26.485 7.090 ( 9.895 6.422 2.695) 12.101 7.651 ( 7.592 -4.597 4.984) 10.179 26.388 ( 2.412 48.135 -0.532) 48.198 27.760 ( -6.249 12.517 0.575) 14.002 28.650 ( -7.733 -7.324 -0.518) 10.663 30.706 ( 4.343 -49.716 -0.767) 49.911 96.691 ( 4.115 16.056 -1.277) 16.625 97.753 ( 0.811 -10.017 0.568) 10.065 ======================= Grid point 400 (203/413) ======================= q-point: (-0.23 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -4.306 13.453 -3.377) 14.523 1.856 ( -2.471 12.965 5.188) 14.182 2.228 ( 1.310 -2.269 -1.741) 3.146 2.653 ( -0.396 -2.981 -7.179) 7.783 2.791 ( -6.065 8.068 3.687) 10.746 2.929 ( 0.508 3.466 2.549) 4.332 4.163 ( -7.673 3.214 -2.434) 8.668 4.628 ( -0.400 0.880 -0.765) 1.233 4.717 ( -5.337 0.477 0.211) 5.362 5.643 ( -2.952 -21.618 -12.466) 25.129 7.335 ( 12.644 6.685 3.684) 14.769 7.871 ( 10.290 -3.638 9.711) 14.609 26.431 ( 2.810 47.821 -1.341) 47.923 27.645 ( -6.401 10.734 0.624) 12.513 28.489 ( -8.913 -8.060 -0.405) 12.024 30.777 ( 4.060 -50.849 -1.426) 51.031 96.765 ( 5.229 14.714 -2.790) 15.863 97.779 ( 1.230 -10.693 1.267) 10.838 ======================= Grid point 401 (204/413) ======================= q-point: (-0.15 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -0.605 16.222 -3.295) 16.565 1.827 ( -4.389 13.405 3.425) 14.516 2.237 ( 1.383 -2.904 -2.605) 4.139 2.569 ( -2.537 -1.145 -7.206) 7.724 2.729 ( -4.473 10.718 7.166) 13.647 2.966 ( 1.762 2.944 0.876) 3.541 4.009 ( -7.108 4.916 -1.316) 8.743 4.521 ( -5.788 2.502 -2.847) 6.918 4.657 ( -4.547 -0.975 0.822) 4.722 5.500 ( -0.629 -16.324 -16.501) 23.220 7.569 ( 9.208 9.403 3.127) 13.527 8.162 ( 11.271 -3.880 13.362) 17.906 26.469 ( 2.682 47.381 -2.400) 47.518 27.540 ( -5.226 9.082 0.628) 10.498 28.326 ( -8.078 -8.491 -0.069) 11.720 30.832 ( 3.100 -52.136 -2.058) 52.269 96.834 ( 4.933 13.156 -5.013) 14.918 97.817 ( 1.534 -11.932 2.079) 12.208 ======================= Grid point 402 (205/413) ======================= q-point: (-0.08 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 2.446 16.678 -3.522) 17.220 1.749 ( -5.622 13.101 2.719) 14.514 2.242 ( 1.204 -1.613 -2.795) 3.445 2.464 ( -1.905 -3.360 -9.853) 10.583 2.737 ( -2.022 13.729 11.443) 17.987 3.000 ( 1.418 3.482 0.090) 3.761 3.890 ( -4.314 6.967 -1.293) 8.296 4.429 ( -1.957 1.568 -1.735) 3.049 4.546 ( -6.821 -1.606 -0.212) 7.010 5.387 ( 1.690 -11.561 -18.110) 21.552 7.715 ( 3.836 12.604 4.151) 13.813 8.441 ( 7.446 -4.725 13.197) 15.872 26.490 ( 1.609 47.044 -3.433) 47.197 27.467 ( -3.002 7.909 0.630) 8.483 28.204 ( -4.794 -8.637 0.423) 9.887 30.860 ( 1.685 -53.243 -2.561) 53.331 96.865 ( 2.832 12.337 -6.857) 14.395 97.860 ( 1.210 -13.563 2.364) 13.820 ======================= Grid point 403 (206/413) ======================= q-point: ( 0.00 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 0.842 13.154 -8.284) 15.568 1.934 ( -0.218 10.069 2.549) 10.389 2.204 ( -1.032 -4.936 -4.221) 6.577 2.214 ( 1.507 -7.620 -9.177) 12.023 3.020 ( -0.406 7.823 8.340) 11.442 3.107 ( -0.050 3.645 2.124) 4.219 4.016 ( 1.285 8.477 -1.994) 8.802 4.313 ( -1.409 -5.765 -2.076) 6.288 4.556 ( -0.618 9.047 -4.111) 9.957 5.064 ( 1.598 -13.197 -14.522) 19.688 8.053 ( -0.796 13.050 8.158) 15.410 8.473 ( -0.254 -7.809 10.953) 13.454 27.479 ( -0.283 53.212 -3.810) 53.349 27.605 ( -0.126 8.837 0.634) 8.860 27.983 ( 0.286 -9.332 0.627) 9.357 29.739 ( 0.014 -57.619 -3.381) 57.718 97.090 ( 0.134 12.390 -4.397) 13.148 97.604 ( 0.033 -13.758 -0.105) 13.758 ======================= Grid point 404 (207/413) ======================= q-point: ( 0.08 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.540 11.037 -5.092) 12.167 1.999 ( 4.481 9.374 1.813) 10.547 2.084 ( -2.572 -7.213 -8.671) 11.569 2.263 ( 4.717 -4.074 -3.751) 7.274 3.061 ( -0.561 5.867 4.892) 7.659 3.105 ( -1.676 4.520 1.809) 5.149 4.074 ( 6.324 7.247 -1.959) 9.816 4.310 ( 2.183 -4.196 -1.458) 4.950 4.516 ( -0.814 6.657 -3.924) 7.771 4.970 ( -0.346 -12.584 -14.007) 18.833 8.049 ( -6.130 13.149 8.937) 17.040 8.474 ( -7.386 -7.834 9.556) 14.396 27.430 ( -1.802 51.884 -3.424) 52.028 27.642 ( 3.520 9.391 0.664) 10.051 28.042 ( 5.398 -8.323 0.324) 9.926 29.706 ( -0.865 -57.486 -3.378) 57.592 97.050 ( -0.972 13.486 -3.854) 14.059 97.596 ( -0.720 -14.232 -0.327) 14.254 ======================= Grid point 405 (208/413) ======================= q-point: ( 0.15 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 1.265 8.620 -1.906) 8.919 1.992 ( -1.011 -6.191 -7.395) 9.697 2.104 ( 5.171 7.843 1.608) 9.531 2.329 ( 4.682 -3.274 -2.492) 6.233 3.052 ( -2.352 4.558 -0.759) 5.185 3.088 ( -1.510 4.180 2.804) 5.255 4.210 ( 9.267 5.274 -1.967) 10.842 4.356 ( 2.573 -1.649 0.007) 3.056 4.460 ( -2.304 2.934 -3.983) 5.457 4.866 ( 0.295 -13.267 -12.829) 18.457 7.963 ( -9.900 11.867 8.822) 17.795 8.350 ( -12.421 -7.127 7.976) 16.392 27.373 ( -1.743 51.360 -2.602) 51.456 27.740 ( 6.328 10.140 0.643) 11.970 28.173 ( 8.247 -7.813 -0.025) 11.361 29.660 ( -1.531 -56.823 -3.018) 56.924 97.004 ( -1.323 14.672 -2.893) 15.013 97.575 ( -1.103 -14.296 -0.371) 14.344 ======================= Grid point 406 (209/413) ======================= q-point: ( 0.23 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 3.378 5.933 0.417) 6.840 1.942 ( 0.662 -4.383 -5.476) 7.045 2.202 ( 3.938 6.242 1.476) 7.527 2.398 ( 3.925 -3.413 -0.569) 5.232 2.985 ( -3.465 5.186 -1.633) 6.447 3.074 ( -1.057 1.579 -0.426) 1.948 4.345 ( 1.971 0.151 -0.553) 2.052 4.362 ( -2.721 2.719 -3.537) 5.225 4.415 ( 4.984 -0.140 -0.591) 5.021 4.832 ( 5.471 -14.609 -9.525) 18.278 7.817 ( -11.904 9.963 7.402) 17.197 8.144 ( -14.707 -6.079 6.011) 17.012 27.331 ( -1.089 51.794 -1.691) 51.833 27.878 ( 7.814 11.144 0.540) 13.621 28.336 ( 9.038 -8.092 -0.156) 12.133 29.608 ( -1.883 -55.875 -2.371) 55.957 96.963 ( -1.079 15.607 -1.926) 15.763 97.552 ( -1.084 -14.046 -0.285) 14.091 ======================= Grid point 407 (210/413) ======================= q-point: ( 0.31 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 4.491 3.504 1.706) 5.947 1.936 ( 2.040 -2.303 -3.394) 4.581 2.267 ( 2.202 4.950 0.767) 5.472 2.459 ( 1.949 -4.707 1.387) 5.281 2.915 ( -2.203 5.499 -1.815) 6.195 3.044 ( -1.112 -0.203 -2.219) 2.490 4.255 ( -5.078 -0.286 -1.419) 5.280 4.315 ( -2.675 -3.562 -0.770) 4.520 4.561 ( 8.700 1.483 -1.051) 8.888 4.921 ( 8.715 -15.045 -4.621) 17.991 7.635 ( -12.256 8.213 4.819) 15.521 7.905 ( -14.447 -5.084 3.578) 15.728 27.309 ( -0.349 52.505 -0.833) 52.513 28.027 ( 7.577 12.378 0.362) 14.518 28.496 ( 8.033 -8.575 -0.116) 11.751 29.559 ( -1.763 -55.014 -1.571) 55.065 96.937 ( -0.573 16.208 -1.184) 16.261 97.533 ( -0.818 -13.614 -0.165) 13.639 ======================= Grid point 408 (211/413) ======================= q-point: ( 0.38 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 3.178 2.107 1.301) 4.029 1.965 ( 2.707 -0.840 -1.058) 3.026 2.299 ( 1.129 4.120 -0.073) 4.273 2.481 ( -0.664 -5.110 1.664) 5.415 2.894 ( 1.032 4.313 -0.472) 4.460 3.006 ( -0.979 -0.562 -2.360) 2.616 4.168 ( -3.370 -0.695 0.259) 3.451 4.279 ( -0.344 -5.982 0.110) 5.993 4.701 ( 6.576 0.747 -0.003) 6.618 5.060 ( 8.111 -16.237 -1.511) 18.213 7.440 ( -11.088 7.088 1.750) 13.276 7.673 ( -12.021 -4.529 1.088) 12.892 27.305 ( 0.313 53.135 -0.153) 53.136 28.152 ( 5.435 13.610 0.175) 14.656 28.623 ( 5.551 -8.912 -0.043) 10.500 29.525 ( -0.940 -54.525 -0.767) 54.539 96.924 ( -0.034 16.520 -0.707) 16.535 97.520 ( -0.462 -13.128 -0.077) 13.136 ======================= Grid point 409 (212/413) ======================= q-point: (-0.54 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( 1.501 2.094 0.062) 2.577 1.999 ( 0.327 -0.517 0.550) 0.822 2.309 ( 0.095 4.269 -0.473) 4.296 2.477 ( -0.248 -3.607 1.030) 3.760 2.936 ( 2.170 1.796 1.711) 3.296 2.981 ( 0.538 -0.123 -2.346) 2.410 4.148 ( 0.942 0.232 1.327) 1.644 4.309 ( 2.635 -6.828 1.875) 7.555 4.798 ( 3.378 0.148 0.850) 3.487 5.186 ( 5.935 -18.213 -0.172) 19.157 7.260 ( -8.336 6.747 -0.753) 10.751 7.488 ( -7.785 -4.727 -0.659) 9.132 27.317 ( 0.850 53.512 0.244) 53.519 28.221 ( 1.685 14.312 0.105) 14.411 28.695 ( 2.051 -8.972 -0.098) 9.204 29.518 ( 0.631 -54.288 -0.130) 54.292 96.925 ( 0.501 16.583 -0.447) 16.597 97.514 ( -0.107 -12.686 -0.039) 12.687 ======================= Grid point 410 (213/413) ======================= q-point: (-0.46 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 0.294 2.128 0.337) 2.174 1.978 ( -2.012 0.991 -0.167) 2.248 2.296 ( -1.179 5.332 -0.075) 5.461 2.495 ( 1.458 -3.568 0.382) 3.873 2.960 ( 0.163 2.309 0.344) 2.340 3.011 ( 2.423 -0.877 -0.128) 2.580 4.229 ( 6.467 1.760 1.979) 6.989 4.390 ( 3.977 -4.341 2.141) 6.265 4.834 ( -0.297 -0.740 1.276) 1.504 5.270 ( 3.116 -20.741 -0.488) 20.979 7.135 ( -3.747 7.081 -1.542) 8.158 7.387 ( -2.215 -5.607 -0.829) 6.086 27.339 ( 1.275 53.533 0.297) 53.549 28.214 ( -2.575 14.046 0.225) 14.281 28.695 ( -1.854 -8.813 -0.280) 9.011 29.546 ( 2.350 -53.986 0.129) 54.037 96.937 ( 1.118 16.381 -0.369) 16.424 97.515 ( 0.225 -12.332 -0.039) 12.334 ======================= Grid point 411 (214/413) ======================= q-point: (-0.38 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -3.490 4.121 -0.614) 5.435 1.992 ( 1.006 2.237 0.462) 2.496 2.271 ( -1.436 5.986 0.230) 6.160 2.528 ( 2.128 -5.119 -0.974) 5.629 2.965 ( 0.327 3.327 -0.232) 3.352 3.032 ( -0.782 0.018 1.095) 1.346 4.395 ( 8.569 3.108 1.198) 9.193 4.468 ( 3.490 2.409 0.016) 4.241 4.811 ( -3.098 -2.915 1.893) 4.656 5.290 ( 0.270 -23.564 -2.714) 23.722 7.116 ( 2.588 7.706 0.057) 8.129 7.401 ( 3.819 -6.496 0.962) 7.596 27.367 ( 1.631 53.140 0.009) 53.165 28.134 ( -5.996 13.067 0.437) 14.384 28.624 ( -5.426 -8.468 -0.421) 10.066 29.601 ( 3.360 -53.843 -0.117) 53.948 96.961 ( 1.897 15.837 -0.507) 15.959 97.522 ( 0.544 -12.058 -0.044) 12.070 ======================= Grid point 412 (215/413) ======================= q-point: (-0.31 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -2.719 7.871 -1.714) 8.502 2.017 ( 1.080 2.336 1.112) 2.803 2.249 ( -0.938 5.775 -0.529) 5.875 2.552 ( 1.937 -6.632 -3.289) 7.652 2.965 ( -0.634 4.016 0.471) 4.093 3.005 ( -2.931 2.009 2.807) 4.528 4.435 ( -1.992 10.637 -4.011) 11.541 4.587 ( 6.614 2.863 0.619) 7.234 4.762 ( -3.332 -4.192 1.780) 5.643 5.246 ( -0.875 -25.603 -6.794) 26.504 7.239 ( 9.264 8.005 3.371) 12.698 7.539 ( 8.806 -6.506 4.204) 11.728 27.399 ( 1.979 52.360 -0.563) 52.401 28.007 ( -7.850 11.906 0.601) 14.274 28.494 ( -8.033 -7.903 -0.444) 11.277 29.662 ( 3.444 -54.263 -0.763) 54.378 96.999 ( 2.742 14.880 -0.978) 15.162 97.535 ( 0.849 -11.869 -0.005) 11.900 ======================= Grid point 413 (216/413) ======================= q-point: (-0.23 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( -1.046 11.100 -2.859) 11.510 2.046 ( 1.043 2.739 1.120) 3.137 2.220 ( -1.199 4.360 -2.566) 5.199 2.540 ( 0.165 -7.197 -6.114) 9.444 2.938 ( -3.541 5.838 4.613) 8.240 2.999 ( -0.078 2.627 3.113) 4.074 4.321 ( -5.988 12.686 -4.719) 14.801 4.640 ( -1.917 0.313 -0.405) 1.984 4.715 ( -2.171 -0.257 -0.344) 2.213 5.182 ( 1.772 -23.710 -11.651) 26.477 7.486 ( 12.756 8.077 5.868) 16.199 7.776 ( 11.541 -5.794 8.074) 15.230 27.432 ( 2.339 51.428 -1.341) 51.498 27.862 ( -7.982 10.847 0.665) 13.484 28.329 ( -9.200 -7.288 -0.355) 11.742 29.713 ( 2.889 -55.187 -1.591) 55.285 97.046 ( 3.263 13.596 -1.896) 14.110 97.553 ( 1.091 -11.862 0.111) 11.913 ======================= Grid point 414 (217/413) ======================= q-point: (-0.15 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 1.178 13.065 -4.002) 13.715 2.056 ( -1.315 7.202 0.044) 7.321 2.172 ( -0.383 -1.363 -4.202) 4.434 2.468 ( -2.303 -7.235 -8.156) 11.143 2.927 ( -2.375 7.980 8.163) 11.660 3.034 ( 1.140 2.543 3.301) 4.321 4.172 ( -6.328 11.153 -3.466) 13.283 4.535 ( -6.823 -2.836 -2.271) 7.730 4.666 ( -2.371 3.822 -2.094) 4.961 5.148 ( 4.274 -18.269 -14.271) 23.573 7.757 ( 10.678 9.241 6.508) 15.549 8.065 ( 11.311 -5.852 11.187) 16.951 27.465 ( 2.536 51.013 -2.266) 51.126 27.730 ( -6.510 10.030 0.643) 11.974 28.159 ( -8.494 -7.232 -0.103) 11.157 29.745 ( 2.009 -56.273 -2.399) 56.360 97.087 ( 2.937 12.403 -3.130) 13.125 97.576 ( 1.140 -12.218 0.228) 12.273 ======================= Grid point 415 (218/413) ======================= q-point: (-0.08 0.42 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 3.110 13.783 -5.962) 15.336 1.986 ( -4.823 10.621 -0.501) 11.675 2.171 ( 2.877 -5.495 -3.712) 7.228 2.346 ( -3.664 -7.418 -9.271) 12.426 2.964 ( -0.842 8.699 9.471) 12.887 3.079 ( 1.041 2.968 2.827) 4.229 4.055 ( -3.574 9.472 -2.359) 10.395 4.396 ( -5.579 -5.450 -2.318) 8.137 4.605 ( -1.563 8.054 -3.939) 9.101 5.120 ( 3.659 -14.794 -14.693) 21.169 7.957 ( 5.289 11.434 7.148) 14.485 8.325 ( 6.943 -6.932 11.881) 15.409 27.488 ( 1.887 52.077 -3.241) 52.212 27.638 ( -3.768 9.405 0.591) 10.149 28.028 ( -5.315 -8.468 0.362) 10.004 29.753 ( 1.008 -57.171 -3.031) 57.261 97.104 ( 1.686 11.918 -4.144) 12.730 97.596 ( 0.788 -12.961 0.158) 12.986 ======================= Grid point 416 (219/413) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 0.446 -11.027 -11.133) 15.676 2.009 ( 0.446 11.027 -11.133) 15.676 2.104 ( 0.105 -6.903 0.776) 6.948 2.104 ( 0.105 6.903 0.776) 6.948 3.122 ( -0.319 -2.322 4.951) 5.477 3.122 ( -0.319 2.322 4.951) 5.477 4.179 ( -0.081 -7.629 -2.174) 7.933 4.179 ( -0.081 7.629 -2.174) 7.933 4.789 ( 0.606 -13.595 -9.457) 16.572 4.789 ( 0.606 13.595 -9.457) 16.572 8.290 ( -0.524 -10.569 9.844) 14.453 8.290 ( -0.524 10.569 9.844) 14.453 27.789 ( -0.129 -9.488 0.603) 9.508 27.789 ( -0.129 9.488 0.603) 9.508 28.589 ( 0.061 -57.197 -3.673) 57.315 28.589 ( 0.061 57.197 -3.673) 57.315 97.340 ( 0.093 -12.843 -2.139) 13.020 97.340 ( 0.093 12.843 -2.139) 13.020 ======================= Grid point 418 (220/413) ======================= q-point: ( 0.08 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -1.422 -9.385 -8.158) 12.516 1.917 ( -1.422 9.385 -8.158) 12.516 2.158 ( 4.309 -6.616 -0.519) 7.912 2.158 ( 4.309 6.616 -0.519) 7.912 3.136 ( -1.258 -1.424 2.758) 3.349 3.136 ( -1.258 1.424 2.758) 3.349 4.207 ( 4.390 -5.998 -1.765) 7.639 4.207 ( 4.390 5.998 -1.765) 7.639 4.714 ( -1.471 -12.338 -8.950) 15.313 4.714 ( -1.471 12.338 -8.950) 15.313 8.289 ( -6.953 -10.739 9.528) 15.952 8.289 ( -6.953 10.739 9.528) 15.952 27.824 ( 3.416 -8.914 0.635) 9.567 27.824 ( 3.416 8.914 0.635) 9.567 28.563 ( 0.006 -56.319 -3.650) 56.438 28.563 ( 0.006 56.319 -3.650) 56.438 97.319 ( -0.613 -13.604 -2.021) 13.767 97.319 ( -0.613 13.604 -2.021) 13.767 ======================= Grid point 420 (221/413) ======================= q-point: ( 0.15 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.195 -7.532 -5.520) 9.341 1.855 ( 0.195 7.532 -5.520) 9.341 2.239 ( 4.549 -5.668 -0.326) 7.275 2.239 ( 4.549 5.668 -0.326) 7.275 3.115 ( -2.140 -1.293 0.197) 2.508 3.115 ( -2.140 1.293 0.197) 2.508 4.299 ( 5.835 -3.650 -1.057) 6.963 4.299 ( 5.835 3.650 -1.057) 6.963 4.612 ( -2.282 -11.300 -8.168) 14.129 4.612 ( -2.282 11.300 -8.168) 14.129 8.180 ( -11.476 -9.812 8.645) 17.399 8.180 ( -11.476 9.812 8.645) 17.399 27.919 ( 6.099 -7.296 0.684) 9.534 27.919 ( 6.099 7.296 0.684) 9.534 28.538 ( 0.091 -53.657 -3.276) 53.757 28.538 ( 0.091 53.657 -3.276) 53.757 97.291 ( -0.882 -14.295 -1.631) 14.415 97.291 ( -0.882 14.295 -1.631) 14.415 ======================= Grid point 422 (222/413) ======================= q-point: ( 0.23 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 2.095 -5.318 -3.106) 6.505 1.846 ( 2.095 5.318 -3.106) 6.505 2.315 ( 3.344 -4.972 0.405) 6.005 2.315 ( 3.344 4.972 0.405) 6.005 3.064 ( -2.467 -2.464 -1.907) 3.974 3.064 ( -2.467 2.464 -1.907) 3.974 4.351 ( -1.375 -1.005 -1.179) 2.071 4.351 ( -1.375 1.005 -1.179) 2.071 4.565 ( 4.583 -11.652 -5.612) 13.721 4.565 ( 4.583 11.652 -5.612) 13.721 8.000 ( -13.599 -8.307 6.883) 17.359 8.000 ( -13.599 8.307 6.883) 17.359 28.052 ( 7.368 -5.376 0.787) 9.155 28.052 ( 7.368 5.376 0.787) 9.155 28.519 ( 0.230 -48.453 -2.686) 48.528 28.519 ( 0.230 48.453 -2.686) 48.528 97.265 ( -0.752 -14.765 -1.149) 14.829 97.265 ( -0.752 14.765 -1.149) 14.829 ======================= Grid point 424 (223/413) ======================= q-point: ( 0.31 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 3.361 -3.053 -1.137) 4.681 1.883 ( 3.361 3.053 -1.137) 4.681 2.364 ( 1.501 -4.801 0.774) 5.089 2.364 ( 1.501 4.801 0.774) 5.089 3.006 ( -1.815 -3.402 -2.533) 4.613 3.006 ( -1.815 3.402 -2.533) 4.613 4.266 ( -4.743 -1.393 -1.635) 5.207 4.266 ( -4.743 1.393 -1.635) 5.207 4.671 ( 7.945 -9.462 -1.954) 12.509 4.671 ( 7.945 9.462 -1.954) 12.509 7.786 ( -13.536 -6.832 4.254) 15.748 7.786 ( -13.536 6.832 4.254) 15.748 28.195 ( 7.103 -10.131 0.978) 12.412 28.195 ( 7.103 10.131 0.978) 12.412 28.507 ( 0.273 -39.336 -2.076) 39.392 28.507 ( 0.273 39.336 -2.076) 39.392 97.248 ( -0.418 -14.989 -0.727) 15.013 97.248 ( -0.418 14.989 -0.727) 15.013 ======================= Grid point 426 (224/413) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 3.026 -1.567 -0.006) 3.407 1.942 ( 3.026 1.567 -0.006) 3.407 2.385 ( 0.431 -4.529 0.552) 4.582 2.385 ( 0.431 4.529 0.552) 4.582 2.969 ( -0.449 -2.987 -1.582) 3.409 2.969 ( -0.449 2.987 -1.582) 3.409 4.189 ( -2.239 -2.862 -0.130) 3.636 4.189 ( -2.239 2.862 -0.130) 3.636 4.801 ( 6.513 -9.275 -0.145) 11.334 4.801 ( 6.513 9.275 -0.145) 11.334 7.570 ( -11.653 -5.865 1.323) 13.112 7.570 ( -11.653 5.865 1.323) 13.112 28.321 ( 5.448 -25.692 1.255) 26.293 28.321 ( 5.448 25.692 1.255) 26.293 28.498 ( 0.191 -24.410 -1.631) 24.465 28.498 ( 0.191 24.410 -1.631) 24.465 97.239 ( -0.049 -15.016 -0.432) 15.022 97.239 ( -0.049 15.016 -0.432) 15.022 ======================= Grid point 428 (225/413) ======================= q-point: (-0.54 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 1.139 -1.232 0.158) 1.685 1.983 ( 1.139 1.232 0.158) 1.685 2.396 ( 0.494 -4.330 0.403) 4.377 2.396 ( 0.494 4.330 0.403) 4.377 2.967 ( 0.961 -1.250 -0.391) 1.625 2.967 ( 0.961 1.250 -0.391) 1.625 4.194 ( 2.285 -4.302 1.585) 5.122 4.194 ( 2.285 4.302 1.585) 5.122 4.900 ( 3.773 -10.037 0.643) 10.742 4.900 ( 3.773 10.037 0.643) 10.742 7.384 ( -8.137 -5.696 -0.924) 9.975 7.384 ( -8.137 5.696 -0.924) 9.975 28.400 ( 1.396 -48.687 1.217) 48.722 28.400 ( 1.396 48.687 1.217) 48.722 28.498 ( 1.407 -12.970 -1.115) 13.094 28.498 ( 1.407 12.970 -1.115) 13.094 97.239 ( 0.300 -14.889 -0.270) 14.895 97.239 ( 0.300 14.889 -0.270) 14.895 ======================= Grid point 430 (226/413) ======================= q-point: (-0.46 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.222 -0.152 -0.001) 0.269 1.989 ( -0.222 0.152 -0.001) 0.269 2.406 ( 0.221 -5.263 0.261) 5.274 2.406 ( 0.221 5.263 0.261) 5.274 2.992 ( 1.553 -1.141 0.138) 1.932 2.992 ( 1.553 1.141 0.138) 1.932 4.296 ( 6.850 -4.580 2.475) 8.604 4.296 ( 6.850 4.580 2.475) 8.604 4.942 ( 0.248 -11.447 0.240) 11.452 4.942 ( 0.248 11.447 0.240) 11.452 7.269 ( -3.032 -6.289 -1.426) 7.126 7.269 ( -3.032 6.289 -1.426) 7.126 28.383 ( -3.250 -30.951 0.326) 31.123 28.383 ( -3.250 30.951 0.326) 31.123 28.538 ( 2.736 -12.925 -0.092) 13.212 28.538 ( 2.736 12.925 -0.092) 13.212 97.246 ( 0.664 -14.610 -0.227) 14.627 97.246 ( 0.664 14.610 -0.227) 14.627 ======================= Grid point 432 (227/413) ======================= q-point: (-0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.376 -2.447 -0.124) 2.479 1.982 ( -0.376 2.447 -0.124) 2.479 2.408 ( 0.096 -6.850 -0.388) 6.862 2.408 ( 0.096 6.850 -0.388) 6.862 3.015 ( 0.477 -1.690 0.514) 1.830 3.015 ( 0.477 1.690 0.514) 1.830 4.466 ( 9.219 -3.074 1.689) 9.863 4.466 ( 9.219 3.074 1.689) 9.863 4.908 ( -3.534 -13.387 -1.387) 13.915 4.908 ( -3.534 13.387 -1.387) 13.915 7.264 ( 3.265 -7.203 0.351) 7.917 7.264 ( 3.265 7.203 0.351) 7.917 28.300 ( -5.722 -12.782 0.173) 14.006 28.300 ( -5.722 12.782 0.173) 14.006 28.583 ( 2.111 -32.018 -0.183) 32.088 28.583 ( 2.111 32.018 -0.183) 32.088 97.261 ( 1.087 -14.142 -0.306) 14.187 97.261 ( 1.087 14.142 -0.306) 14.187 ======================= Grid point 434 (228/413) ======================= q-point: (-0.31 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.040 -4.923 -0.592) 4.958 1.976 ( 0.040 4.923 -0.592) 4.958 2.404 ( 0.192 -8.199 -1.802) 8.397 2.404 ( 0.192 8.199 -1.802) 8.397 3.016 ( -1.085 -1.018 1.757) 2.302 3.016 ( -1.085 1.018 1.757) 2.302 4.635 ( 7.393 -2.975 0.132) 7.970 4.635 ( 7.393 2.975 0.132) 7.970 4.796 ( -5.706 -16.757 -4.446) 18.252 4.796 ( -5.706 16.757 -4.446) 18.252 7.397 ( 9.235 -7.667 3.715) 12.565 7.397 ( 9.235 7.667 3.715) 12.565 28.179 ( -7.300 -3.767 0.257) 8.219 28.179 ( -7.300 3.767 0.257) 8.219 28.613 ( 1.481 -43.530 -0.831) 43.564 28.613 ( 1.481 43.530 -0.831) 43.564 97.282 ( 1.522 -13.477 -0.532) 13.573 97.282 ( 1.522 13.477 -0.532) 13.573 ======================= Grid point 436 (229/413) ======================= q-point: (-0.23 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 0.870 -7.111 -1.602) 7.341 1.976 ( 0.870 7.111 -1.602) 7.341 2.379 ( -0.965 -8.855 -4.029) 9.776 2.379 ( -0.965 8.855 -4.029) 9.776 3.012 ( -1.286 -1.479 4.128) 4.569 3.012 ( -1.286 1.479 4.128) 4.569 4.598 ( -9.367 -8.755 -1.776) 12.944 4.598 ( -9.367 8.755 -1.776) 12.944 4.774 ( 6.833 -12.062 -7.116) 15.582 4.774 ( 6.833 12.062 -7.116) 15.582 7.643 ( 12.417 -7.453 6.981) 16.077 7.643 ( 12.417 7.453 6.981) 16.077 28.041 ( -7.607 -5.196 0.379) 9.220 28.041 ( -7.607 5.196 0.379) 9.220 28.627 ( 0.984 -50.461 -1.713) 50.500 28.627 ( 0.984 50.461 -1.713) 50.500 97.308 ( 1.781 -12.745 -0.923) 12.902 97.308 ( 1.781 12.745 -0.923) 12.902 ======================= Grid point 438 (230/413) ======================= q-point: (-0.15 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 2.133 -8.691 -3.030) 9.448 1.987 ( 2.133 8.691 -3.030) 9.448 2.304 ( -3.275 -9.008 -5.792) 11.199 2.304 ( -3.275 9.008 -5.792) 11.199 3.035 ( -0.290 -2.709 6.092) 6.674 3.035 ( -0.290 2.709 6.092) 6.674 4.404 ( -8.884 -10.174 -3.051) 13.847 4.404 ( -8.884 10.174 -3.051) 13.847 4.826 ( 4.657 -12.544 -8.519) 15.863 4.826 ( 4.657 12.544 -8.519) 15.863 7.928 ( 11.254 -7.823 8.982) 16.387 7.928 ( 11.254 7.823 8.982) 16.387 27.912 ( -6.359 -7.855 0.484) 10.118 27.912 ( -6.359 7.855 0.484) 10.118 28.625 ( 0.582 -54.509 -2.601) 54.574 28.625 ( 0.582 54.509 -2.601) 54.574 97.332 ( 1.624 -12.254 -1.433) 12.444 97.332 ( 1.624 12.254 -1.433) 12.444 ======================= Grid point 440 (231/413) ======================= q-point: (-0.08 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 3.653 -9.684 -5.337) 11.645 2.012 ( 3.653 9.684 -5.337) 11.645 2.185 ( -4.751 -8.658 -5.125) 11.126 2.185 ( -4.751 8.658 -5.125) 11.126 3.081 ( 0.177 -2.949 6.265) 6.926 3.081 ( 0.177 2.949 6.265) 6.926 4.247 ( -5.276 -9.077 -2.729) 10.848 4.247 ( -5.276 9.077 -2.729) 10.848 4.827 ( 2.620 -13.667 -9.430) 16.810 4.827 ( 2.620 13.667 -9.430) 16.810 8.164 ( 6.285 -9.291 9.757) 14.867 8.164 ( 6.285 9.291 9.757) 14.867 27.820 ( -3.677 -9.172 0.557) 9.897 27.820 ( -3.677 9.172 0.557) 9.897 28.612 ( 0.264 -56.609 -3.302) 56.706 28.612 ( 0.264 56.609 -3.302) 56.706 97.345 ( 0.978 -12.296 -1.907) 12.481 97.345 ( 0.978 12.296 -1.907) 12.481 ======================= Grid point 507 (232/413) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -2.498 0.000 14.446) 14.660 1.234 ( 0.066 0.000 16.252) 16.253 1.749 ( 2.645 0.000 -7.600) 8.047 2.041 ( -0.570 0.000 24.431) 24.438 2.202 ( -0.073 0.000 -8.031) 8.031 3.090 ( 0.353 0.000 -7.615) 7.623 3.496 ( 0.461 0.000 -1.472) 1.542 4.126 ( -0.112 0.000 1.136) 1.141 4.507 ( -0.887 0.000 -0.475) 1.007 6.300 ( 0.291 0.000 -3.897) 3.907 7.313 ( -0.961 0.000 6.054) 6.130 8.027 ( 0.065 0.000 -5.162) 5.163 24.262 ( 0.117 0.000 0.986) 0.993 27.150 ( 0.055 0.000 0.601) 0.603 28.568 ( -0.049 0.000 0.788) 0.790 33.315 ( 0.193 0.000 -2.362) 2.370 95.668 ( -0.029 0.000 0.082) 0.087 98.911 ( -0.056 0.000 -1.164) 1.166 ======================= Grid point 508 (233/413) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 12.774 0.000 12.244) 17.694 1.399 ( 5.321 0.000 13.875) 14.861 1.833 ( 11.841 0.000 -8.569) 14.616 2.138 ( 0.520 0.000 -7.460) 7.478 2.238 ( 2.092 0.000 21.335) 21.437 2.946 ( -7.137 0.000 -8.115) 10.807 3.631 ( 12.785 0.000 -2.390) 13.006 4.140 ( 0.885 0.000 0.967) 1.311 4.599 ( 10.621 0.000 2.058) 10.818 6.250 ( -2.328 0.000 -5.635) 6.097 7.335 ( -1.382 0.000 5.800) 5.962 7.971 ( -2.189 0.000 -4.064) 4.616 24.267 ( -0.259 0.000 0.754) 0.797 27.156 ( 0.126 0.000 0.461) 0.478 28.609 ( 3.691 0.000 0.060) 3.692 33.265 ( -3.686 0.000 -1.884) 4.140 95.667 ( -0.060 0.000 0.082) 0.101 98.840 ( -6.338 0.000 -0.017) 6.338 ======================= Grid point 509 (234/413) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 14.326 0.000 8.527) 16.672 1.610 ( 7.411 0.000 10.428) 12.794 2.007 ( 10.467 0.000 -3.939) 11.184 2.097 ( 1.176 0.000 -7.383) 7.476 2.431 ( 3.902 0.000 11.388) 12.038 2.789 ( -1.749 0.000 -5.266) 5.548 3.875 ( 14.747 0.000 -2.430) 14.946 4.172 ( 1.832 0.000 0.687) 1.957 4.917 ( 19.580 0.000 5.711) 20.395 6.130 ( -5.178 0.000 -7.822) 9.381 7.340 ( -2.254 0.000 4.541) 5.070 7.900 ( -2.639 0.000 -2.353) 3.535 24.264 ( -0.613 0.000 0.404) 0.734 27.161 ( 0.124 0.000 0.260) 0.288 28.693 ( 5.199 0.000 -0.528) 5.226 33.159 ( -6.338 0.000 -1.304) 6.471 95.667 ( -0.028 0.000 0.071) 0.077 98.697 ( -9.023 0.000 0.966) 9.074 ======================= Grid point 510 (235/413) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 6.694 0.000 6.546) 9.363 1.833 ( 9.670 0.000 4.746) 10.772 2.078 ( 1.853 0.000 -5.298) 5.612 2.143 ( 5.755 0.000 -0.002) 5.755 2.451 ( -2.990 0.000 -2.081) 3.643 2.905 ( 12.467 0.000 2.401) 12.697 4.132 ( 13.758 0.000 -0.111) 13.758 4.217 ( 2.597 0.000 0.394) 2.627 5.359 ( 21.879 0.000 6.923) 22.948 5.963 ( -5.685 0.000 -8.538) 10.257 7.316 ( -3.134 0.000 2.729) 4.156 7.843 ( -2.211 0.000 -0.926) 2.398 24.251 ( -0.861 0.000 0.032) 0.861 27.164 ( 0.068 0.000 0.049) 0.084 28.788 ( 5.292 0.000 -0.408) 5.308 33.021 ( -7.415 0.000 -0.862) 7.465 95.668 ( 0.048 0.000 0.062) 0.078 98.532 ( -9.298 0.000 0.883) 9.340 ======================= Grid point 511 (236/413) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 4.062 0.000 1.570) 4.354 1.974 ( 3.001 0.000 1.136) 3.209 2.094 ( 2.527 0.000 -1.313) 2.847 2.233 ( 4.445 0.000 -0.258) 4.452 2.401 ( -0.601 0.000 -0.202) 0.635 3.153 ( 11.539 0.000 0.203) 11.541 4.271 ( 2.858 0.000 0.123) 2.861 4.373 ( 10.714 0.000 3.016) 11.131 5.787 ( 20.244 0.000 -4.321) 20.700 5.825 ( -4.412 0.000 3.401) 5.571 7.267 ( -3.307 0.000 0.808) 3.404 7.801 ( -1.991 0.000 -0.200) 2.001 24.233 ( -0.940 0.000 -0.258) 0.975 27.164 ( -0.022 0.000 -0.129) 0.131 28.879 ( 4.532 0.000 -0.009) 4.532 32.881 ( -6.768 0.000 -0.575) 6.793 95.670 ( 0.116 0.000 0.064) 0.133 98.373 ( -8.007 0.000 0.336) 8.014 ======================= Grid point 512 (237/413) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -2.482 0.000 -0.182) 2.489 1.979 ( 0.929 0.000 -1.306) 1.603 2.147 ( 2.850 0.000 1.201) 3.093 2.318 ( 5.638 0.000 -1.942) 5.963 2.414 ( 0.517 0.000 2.485) 2.538 3.309 ( 5.713 0.000 -1.895) 6.019 4.319 ( 2.162 0.000 -0.128) 2.166 4.561 ( 6.319 0.000 4.716) 7.885 5.760 ( 0.573 0.000 -4.803) 4.837 6.123 ( 12.072 0.000 5.698) 13.350 7.216 ( -1.715 0.000 -0.983) 1.977 7.765 ( -1.939 0.000 0.129) 1.943 24.214 ( -0.827 0.000 -0.390) 0.914 27.161 ( -0.128 0.000 -0.228) 0.262 28.953 ( 3.285 0.000 0.225) 3.292 32.771 ( -4.541 0.000 -0.423) 4.561 95.672 ( 0.133 0.000 0.072) 0.151 98.246 ( -5.752 0.000 -0.041) 5.752 ======================= Grid point 513 (238/413) ======================= q-point: (-0.54 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -6.877 0.000 1.801) 7.109 1.960 ( -2.259 0.000 -0.651) 2.351 2.207 ( 2.882 0.000 0.535) 2.932 2.394 ( 3.617 0.000 -3.684) 5.163 2.461 ( 3.814 0.000 1.952) 4.284 3.336 ( -1.337 0.000 -1.608) 2.091 4.344 ( 0.518 0.000 -0.213) 0.560 4.678 ( 2.929 0.000 4.491) 5.362 5.739 ( -1.712 0.000 -0.987) 1.977 6.315 ( 5.069 0.000 3.787) 6.328 7.205 ( 2.291 0.000 -2.803) 3.620 7.734 ( -1.565 0.000 0.597) 1.675 24.198 ( -0.548 0.000 -0.347) 0.648 27.156 ( -0.223 0.000 -0.219) 0.312 29.002 ( 1.862 0.000 0.113) 1.865 32.713 ( -1.234 0.000 -0.407) 1.300 95.675 ( 0.085 0.000 0.068) 0.109 98.163 ( -3.086 0.000 0.041) 3.087 ======================= Grid point 514 (239/413) ======================= q-point: (-0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -10.930 0.000 4.542) 11.836 1.885 ( -5.900 0.000 0.895) 5.967 2.262 ( 2.936 0.000 -0.515) 2.981 2.406 ( 0.818 0.000 -2.735) 2.854 2.576 ( 7.815 0.000 -1.919) 8.047 3.236 ( -9.049 0.000 0.560) 9.066 4.334 ( -1.358 0.000 -0.072) 1.360 4.740 ( 0.765 0.000 3.147) 3.238 5.643 ( -9.245 0.000 0.552) 9.262 6.388 ( 0.648 0.000 3.780) 3.835 7.255 ( 5.598 0.000 -5.258) 7.680 7.720 ( -0.561 0.000 1.506) 1.607 24.190 ( -0.172 0.000 -0.157) 0.233 27.150 ( -0.279 0.000 -0.098) 0.295 29.023 ( 0.457 0.000 -0.364) 0.584 32.721 ( 2.390 0.000 -0.529) 2.448 95.676 ( -0.007 0.000 0.041) 0.041 98.133 ( -0.392 0.000 0.677) 0.782 ======================= Grid point 515 (240/413) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -12.805 0.000 8.142) 15.174 1.756 ( -9.295 0.000 2.830) 9.717 2.306 ( 2.580 0.000 -1.574) 3.022 2.385 ( -1.001 0.000 -3.581) 3.718 2.709 ( 8.545 0.000 -3.905) 9.396 3.015 ( -15.956 0.000 3.728) 16.386 4.296 ( -2.688 0.000 0.185) 2.694 4.752 ( -1.148 0.000 1.394) 1.806 5.391 ( -18.354 0.000 1.000) 18.381 6.420 ( 0.044 0.000 4.370) 4.371 7.314 ( 5.349 0.000 -7.687) 9.364 7.739 ( 1.209 0.000 2.413) 2.700 24.190 ( 0.206 0.000 0.124) 0.240 27.145 ( -0.278 0.000 0.102) 0.296 29.013 ( -0.946 0.000 -1.234) 1.555 32.791 ( 5.533 0.000 -0.728) 5.581 95.675 ( -0.106 0.000 -0.000) 0.106 98.159 ( 2.240 0.000 1.952) 2.971 ======================= Grid point 516 (241/413) ======================= q-point: (-0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -11.778 0.000 12.901) 17.469 1.587 ( -11.944 0.000 5.500) 13.149 2.291 ( -7.155 0.000 -3.948) 8.172 2.333 ( 1.829 0.000 -2.854) 3.390 2.728 ( -16.535 0.000 4.851) 17.232 2.830 ( 6.798 0.000 -3.621) 7.702 4.242 ( -3.185 0.000 0.500) 3.224 4.710 ( -4.228 0.000 -2.122) 4.730 5.002 ( -23.614 0.000 4.054) 23.960 6.451 ( 0.124 0.000 2.826) 2.828 7.332 ( 2.638 0.000 -7.784) 8.218 7.800 ( 3.464 0.000 2.069) 4.034 24.199 ( 0.500 0.000 0.439) 0.665 27.142 ( -0.228 0.000 0.323) 0.396 28.967 ( -2.613 0.000 -2.500) 3.616 32.909 ( 7.596 0.000 -0.905) 7.650 95.673 ( -0.167 0.000 -0.029) 0.170 98.247 ( 5.069 0.000 3.850) 6.365 ======================= Grid point 517 (242/413) ======================= q-point: (-0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -9.152 0.000 17.057) 19.358 1.403 ( -13.161 0.000 9.066) 15.981 2.042 ( -17.506 0.000 2.028) 17.623 2.334 ( 1.085 0.000 -4.421) 4.552 2.494 ( -12.509 0.000 3.368) 12.954 2.915 ( 5.943 0.000 -5.877) 8.358 4.190 ( -2.946 0.000 0.840) 3.063 4.422 ( -22.447 0.000 -5.210) 23.044 4.758 ( -7.755 0.000 8.187) 11.277 6.450 ( -1.055 0.000 -1.769) 2.059 7.309 ( 0.091 0.000 -4.424) 4.425 7.890 ( 4.993 0.000 0.348) 5.005 24.214 ( 0.648 0.000 0.735) 0.980 27.141 ( -0.163 0.000 0.501) 0.527 28.876 ( -4.833 0.000 -3.638) 6.049 33.051 ( 8.279 0.000 -1.074) 8.348 95.669 ( -0.154 0.000 -0.013) 0.154 98.406 ( 8.441 0.000 5.566) 10.111 ======================= Grid point 518 (243/413) ======================= q-point: (-0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -11.825 0.000 13.096) 17.645 1.275 ( -11.658 0.000 15.441) 19.347 1.774 ( -13.945 0.000 13.582) 19.466 2.264 ( -13.342 0.000 -0.833) 13.368 2.311 ( -0.059 0.000 -5.824) 5.824 2.974 ( 5.841 0.000 -6.749) 8.926 3.976 ( -20.698 0.000 -2.089) 20.803 4.150 ( -2.138 0.000 1.043) 2.379 4.692 ( -5.926 0.000 5.096) 7.816 6.388 ( -2.124 0.000 -5.530) 5.923 7.286 ( -0.914 0.000 0.848) 1.247 7.979 ( 5.033 0.000 -2.194) 5.490 24.232 ( 0.625 0.000 0.958) 1.144 27.142 ( -0.114 0.000 0.600) 0.611 28.741 ( -6.654 0.000 -3.043) 7.316 33.190 ( 7.338 0.000 -1.518) 7.493 95.667 ( -0.067 0.000 0.040) 0.078 98.631 ( 10.987 0.000 4.700) 11.950 ======================= Grid point 519 (244/413) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -15.849 0.000 13.268) 20.669 1.178 ( -6.866 0.000 16.076) 17.481 1.756 ( -2.632 0.000 14.466) 14.703 2.015 ( -11.190 0.000 4.107) 11.919 2.262 ( -0.126 0.000 -7.544) 7.545 3.047 ( 7.106 0.000 -6.726) 9.784 3.646 ( -13.326 0.000 -1.417) 13.401 4.128 ( -1.098 0.000 1.177) 1.610 4.592 ( -6.750 0.000 0.945) 6.815 6.323 ( -0.366 0.000 -4.550) 4.565 7.290 ( -0.943 0.000 4.674) 4.768 8.033 ( 3.158 0.000 -4.552) 5.540 24.250 ( 0.435 0.000 1.054) 1.140 27.145 ( -0.053 0.000 0.638) 0.640 28.613 ( -4.955 0.000 -0.424) 4.973 33.288 ( 4.411 0.000 -2.212) 4.935 95.667 ( -0.003 0.000 0.075) 0.075 98.839 ( 8.022 0.000 0.719) 8.054 ======================= Grid point 520 (245/413) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -2.025 8.836 13.178) 15.994 1.248 ( 0.137 1.156 17.336) 17.375 1.805 ( 2.151 5.193 -8.060) 9.826 2.115 ( -0.247 6.373 12.577) 14.102 2.258 ( -0.212 5.878 0.595) 5.912 3.079 ( 0.164 -1.113 -5.554) 5.667 3.514 ( 0.532 1.811 -1.402) 2.351 4.234 ( -0.222 9.687 -0.200) 9.691 4.501 ( -0.875 -0.581 -0.534) 1.178 5.954 ( 0.659 -28.886 -5.251) 29.367 7.306 ( -1.118 2.175 8.600) 8.941 8.294 ( 0.067 19.220 -6.050) 20.149 24.426 ( 0.102 16.004 -0.119) 16.004 27.169 ( 0.024 1.947 0.606) 2.039 28.541 ( -0.022 -2.693 0.764) 2.799 33.133 ( 0.181 -18.069 -2.207) 18.204 95.790 ( -0.003 11.467 -2.023) 11.644 98.811 ( -0.065 -9.521 -0.213) 9.524 ======================= Grid point 521 (246/413) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 10.287 5.926 11.914) 16.819 1.416 ( 4.947 1.495 14.739) 15.619 1.870 ( 10.596 3.705 -8.390) 14.014 2.127 ( 0.509 0.185 -7.011) 7.032 2.350 ( 1.650 9.353 17.281) 19.719 2.955 ( -6.765 0.792 -6.337) 9.303 3.645 ( 12.576 1.494 -2.038) 12.827 4.232 ( 0.186 8.282 0.132) 8.285 4.588 ( 9.962 -1.116 2.244) 10.272 5.924 ( 0.261 -27.592 -7.090) 28.490 7.343 ( -1.553 2.579 8.042) 8.587 8.212 ( -4.144 18.078 -5.010) 19.212 24.422 ( -0.439 15.271 0.071) 15.277 27.177 ( 0.332 2.119 0.482) 2.198 28.582 ( 3.711 -2.683 0.119) 4.581 33.086 ( -3.456 -17.798 -1.823) 18.222 95.774 ( -0.417 10.155 -1.165) 10.230 98.753 ( -5.650 -8.427 0.393) 10.153 ======================= Grid point 522 (247/413) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( 10.388 0.637 10.363) 14.687 1.631 ( 8.642 2.516 9.795) 13.303 2.031 ( 10.238 2.415 -5.325) 11.790 2.083 ( 1.683 -1.034 -8.021) 8.261 2.510 ( 3.149 7.121 10.824) 13.333 2.807 ( -2.750 1.818 -4.400) 5.498 3.891 ( 14.702 1.588 -2.019) 14.925 4.245 ( 1.013 6.594 0.327) 6.679 4.891 ( 18.396 -2.645 6.502) 19.690 5.851 ( -1.478 -24.101 -9.705) 26.024 7.357 ( -2.535 2.547 6.059) 7.044 8.087 ( -5.765 14.774 -2.971) 16.135 24.411 ( -0.784 14.663 0.074) 14.685 27.188 ( 0.528 2.708 0.299) 2.775 28.668 ( 5.391 -2.433 -0.439) 5.931 32.985 ( -5.981 -17.242 -1.296) 18.296 95.760 ( -0.436 8.956 -0.528) 8.982 98.626 ( -8.187 -6.931 1.026) 10.776 ======================= Grid point 523 (248/413) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 6.170 -1.923 8.282) 10.505 1.855 ( 8.671 1.991 4.012) 9.759 2.036 ( 0.878 -2.876 -6.388) 7.061 2.188 ( 7.011 3.950 -1.467) 8.180 2.543 ( -2.078 7.975 -0.627) 8.265 2.882 ( 9.932 -2.015 2.337) 10.400 4.148 ( 13.529 1.657 0.218) 13.632 4.272 ( 1.682 4.852 0.245) 5.142 5.320 ( 20.441 -4.228 9.210) 22.815 5.743 ( -1.290 -19.517 -11.579) 22.731 7.333 ( -3.805 1.917 3.384) 5.442 7.966 ( -5.564 10.169 -1.107) 11.644 24.395 ( -0.968 14.303 -0.074) 14.336 27.200 ( 0.584 3.597 0.106) 3.646 28.769 ( 5.613 -1.910 -0.381) 5.942 32.855 ( -7.012 -16.539 -0.854) 17.984 95.750 ( -0.284 8.082 -0.183) 8.089 98.476 ( -8.520 -5.488 0.865) 10.172 ======================= Grid point 524 (249/413) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 4.446 -1.158 2.825) 5.393 1.981 ( 2.150 -0.464 0.180) 2.207 2.027 ( 2.803 -3.319 -1.603) 4.631 2.281 ( 4.141 4.609 -0.466) 6.214 2.512 ( -0.563 8.902 0.016) 8.919 3.096 ( 10.498 -5.313 0.305) 11.770 4.303 ( 1.690 2.702 0.237) 3.196 4.388 ( 10.260 1.425 2.908) 10.759 5.653 ( -1.016 -15.919 -2.204) 16.103 5.753 ( 20.166 -3.623 0.892) 20.508 7.269 ( -4.559 0.362 0.855) 4.653 7.865 ( -4.803 5.469 -0.089) 7.279 24.375 ( -0.973 14.174 -0.239) 14.209 27.210 ( 0.486 4.594 -0.057) 4.620 28.866 ( 4.866 -1.309 -0.058) 5.039 32.723 ( -6.396 -15.809 -0.546) 17.063 95.746 ( -0.104 7.516 -0.025) 7.517 98.331 ( -7.375 -4.226 0.345) 8.507 ======================= Grid point 525 (250/413) ======================= q-point: ( 0.38 0.08 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -1.101 -1.781 -2.079) 2.951 1.989 ( 0.347 0.543 -0.171) 0.667 2.102 ( 3.438 -2.285 2.635) 4.897 2.351 ( 4.358 3.168 -1.055) 5.490 2.512 ( -0.190 7.921 0.816) 7.965 3.247 ( 5.897 -5.882 -1.538) 8.470 4.328 ( 0.997 0.627 -0.231) 1.200 4.564 ( 5.689 0.287 4.416) 7.208 5.643 ( 2.450 -11.202 -3.653) 12.035 6.099 ( 13.916 -2.805 4.733) 14.964 7.186 ( -3.751 -2.500 -1.317) 4.696 7.786 ( -3.837 1.736 0.315) 4.223 24.357 ( -0.788 14.228 -0.321) 14.253 27.216 ( 0.244 5.467 -0.146) 5.475 28.944 ( 3.504 -0.843 0.133) 3.607 32.618 ( -4.267 -15.184 -0.377) 15.777 95.746 ( 0.039 7.211 0.033) 7.211 98.213 ( -5.316 -3.247 -0.008) 6.229 ======================= Grid point 526 (251/413) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -6.166 -0.469 1.773) 6.433 1.968 ( -1.905 0.783 -1.689) 2.664 2.177 ( 2.592 -1.621 2.373) 3.870 2.434 ( 5.995 1.898 -3.133) 7.026 2.512 ( 0.068 5.734 0.429) 5.750 3.287 ( -0.519 -4.685 -1.294) 4.888 4.335 ( 0.029 -0.896 -0.386) 0.976 4.667 ( 2.345 -1.116 4.030) 4.794 5.659 ( -0.309 -7.843 -0.565) 7.869 6.326 ( 7.042 0.489 4.116) 8.171 7.129 ( -0.066 -6.976 -3.456) 7.786 7.731 ( -2.399 -0.435 0.799) 2.565 24.343 ( -0.440 14.415 -0.285) 14.424 27.217 ( -0.088 5.998 -0.134) 6.000 28.995 ( 1.865 -0.692 0.027) 1.990 32.565 ( -1.107 -14.780 -0.362) 14.826 95.748 ( 0.147 7.154 0.024) 7.156 98.137 ( -2.863 -2.631 0.064) 3.889 ======================= Grid point 527 (252/413) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -10.319 0.805 4.340) 11.223 1.891 ( -5.794 0.569 0.220) 5.826 2.234 ( 2.307 -1.571 0.968) 2.954 2.479 ( 1.058 5.795 -3.357) 6.781 2.570 ( 6.987 -0.392 -2.012) 7.281 3.206 ( -7.850 -2.739 0.528) 8.331 4.325 ( -0.761 -0.901 -0.262) 1.208 4.716 ( 0.323 -2.297 2.842) 3.668 5.585 ( -8.330 -5.657 0.645) 10.090 6.426 ( 1.036 3.501 4.276) 5.622 7.140 ( 4.642 -10.946 -5.865) 13.258 7.713 ( -0.373 -0.838 1.806) 2.026 24.337 ( 0.006 14.691 -0.154) 14.692 27.211 ( -0.422 6.047 -0.021) 6.062 29.013 ( 0.187 -0.965 -0.391) 1.058 32.574 ( 2.351 -14.673 -0.505) 14.869 95.752 ( 0.272 7.390 -0.052) 7.395 98.109 ( -0.378 -2.417 0.649) 2.531 ======================= Grid point 528 (253/413) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( -12.445 1.399 7.338) 14.515 1.761 ( -9.234 0.564 2.891) 9.692 2.276 ( 2.007 -1.686 -0.473) 2.664 2.455 ( -0.933 5.454 -3.912) 6.776 2.696 ( 8.294 -1.257 -3.739) 9.185 3.010 ( -14.322 -0.380 3.093) 14.657 4.306 ( -1.135 0.859 -0.061) 1.425 4.722 ( -1.382 -3.017 1.600) 3.684 5.348 ( -17.610 -4.183 0.548) 18.108 6.450 ( -1.277 2.682 3.965) 4.954 7.194 ( 5.709 -11.327 -7.652) 14.814 7.747 ( 2.265 0.378 3.121) 3.875 24.341 ( 0.478 15.039 0.019) 15.046 27.201 ( -0.663 5.604 0.162) 5.645 28.996 ( -1.482 -1.660 -1.129) 2.495 32.642 ( 5.333 -14.889 -0.744) 15.833 95.757 ( 0.495 8.008 -0.233) 8.027 98.133 ( 2.047 -2.625 1.828) 3.797 ======================= Grid point 529 (254/413) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -12.307 0.333 10.799) 16.377 1.602 ( -11.303 1.847 6.737) 13.288 2.294 ( -0.152 -0.474 -1.783) 1.851 2.374 ( -4.516 4.486 -4.438) 7.760 2.748 ( -15.633 1.688 5.479) 16.651 2.815 ( 7.231 -1.104 -4.816) 8.758 4.283 ( -1.330 3.567 0.095) 3.807 4.688 ( -3.176 -2.515 -0.448) 4.076 4.961 ( -23.699 -3.459 2.028) 24.036 6.435 ( -2.486 -2.049 0.614) 3.280 7.227 ( 3.367 -8.645 -6.589) 11.379 7.845 ( 5.548 3.159 3.598) 7.328 24.355 ( 0.908 15.467 0.157) 15.494 27.190 ( -0.760 4.786 0.361) 4.859 28.940 ( -3.306 -2.612 -2.152) 4.731 32.754 ( 7.258 -15.410 -0.972) 17.062 95.767 ( 0.881 9.098 -0.605) 9.161 98.214 ( 4.617 -3.319 3.579) 6.719 ======================= Grid point 530 (255/413) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -11.604 -3.107 13.269) 17.898 1.456 ( -11.229 4.872 11.727) 16.951 2.137 ( -14.028 8.444 1.575) 16.449 2.320 ( 0.552 -1.299 -3.948) 4.193 2.526 ( -11.820 3.062 2.907) 12.551 2.902 ( 6.033 -1.140 -5.547) 8.274 4.251 ( -3.352 4.766 0.361) 5.838 4.443 ( -20.461 2.286 -4.941) 21.172 4.702 ( -6.328 -5.045 7.280) 10.885 6.350 ( -5.027 -9.872 -5.715) 12.465 7.231 ( 0.708 -4.530 -1.822) 4.934 7.998 ( 8.282 7.739 2.289) 11.564 24.376 ( 1.224 15.975 0.159) 16.022 27.179 ( -0.716 3.797 0.519) 3.899 28.841 ( -5.393 -3.405 -2.965) 7.033 32.889 ( 7.828 -16.185 -1.172) 18.016 95.781 ( 1.337 10.575 -1.285) 10.737 98.359 ( 7.548 -4.698 5.188) 10.293 ======================= Grid point 531 (256/413) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( -10.425 -4.118 15.466) 19.101 1.339 ( -12.294 5.835 13.327) 19.047 1.924 ( -11.251 12.553 9.960) 19.580 2.257 ( -7.731 -0.413 -2.157) 8.037 2.352 ( -4.215 3.786 -3.613) 6.720 2.966 ( 5.591 -0.828 -5.739) 8.055 3.972 ( -20.158 -0.019 -1.096) 20.188 4.261 ( -1.328 9.353 -0.851) 9.485 4.656 ( -4.600 -3.318 4.873) 7.477 6.176 ( -6.809 -18.791 -9.400) 22.086 7.238 ( -0.537 -0.913 3.772) 3.918 8.166 ( 8.689 13.227 -0.932) 15.853 24.400 ( 1.255 16.429 -0.040) 16.477 27.171 ( -0.567 2.872 0.606) 2.990 28.705 ( -6.709 -3.476 -2.314) 7.902 33.018 ( 6.834 -17.101 -1.541) 18.480 95.795 ( 1.437 11.907 -2.158) 12.186 98.559 ( 9.539 -6.921 4.662) 12.674 ======================= Grid point 532 (257/413) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -8.735 1.312 15.710) 18.023 1.202 ( -10.051 4.993 14.625) 18.435 1.864 ( -4.094 8.953 4.906) 10.999 2.079 ( -8.362 6.556 8.040) 13.324 2.293 ( -0.078 2.959 -6.289) 6.951 3.037 ( 6.278 -0.997 -5.265) 8.254 3.654 ( -12.910 0.881 -0.889) 12.971 4.242 ( -0.450 9.906 -0.462) 9.927 4.579 ( -5.840 -1.333 0.997) 6.072 6.013 ( -3.286 -26.043 -6.937) 27.151 7.266 ( -0.916 1.182 7.318) 7.470 8.282 ( 5.476 17.566 -4.606) 18.968 24.419 ( 0.802 16.495 -0.231) 16.516 27.167 ( -0.315 2.214 0.639) 2.326 28.583 ( -4.732 -2.944 -0.180) 5.576 33.109 ( 4.071 -17.848 -2.073) 18.423 95.800 ( 0.822 12.267 -2.546) 12.555 98.743 ( 6.844 -9.093 1.546) 11.485 ======================= Grid point 533 (258/413) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 1.844 3.201 16.328) 16.741 1.320 ( -2.879 12.311 10.765) 16.605 1.934 ( 1.246 7.262 -7.767) 10.706 2.208 ( 0.385 2.091 -8.383) 8.648 2.466 ( -0.450 14.343 14.747) 20.577 3.046 ( -0.194 -2.056 -1.131) 2.354 3.571 ( 0.684 3.943 -1.272) 4.199 4.433 ( -0.755 7.709 -0.049) 7.747 4.484 ( -0.745 -0.823 -0.623) 1.273 5.380 ( 1.258 -24.755 -10.390) 26.876 7.421 ( -1.034 9.052 9.116) 12.889 8.616 ( 0.028 11.815 -3.326) 12.274 24.876 ( 0.059 28.621 -1.822) 28.679 27.227 ( -0.048 3.882 0.618) 3.931 28.462 ( 0.041 -5.174 0.697) 5.221 32.610 ( 0.147 -33.915 -2.086) 33.980 96.077 ( 0.057 16.196 -4.937) 16.932 98.560 ( -0.080 -14.906 1.100) 14.947 ======================= Grid point 534 (259/413) ======================= q-point: ( 0.08 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.569 4.220 14.014) 14.860 1.484 ( 7.824 7.510 11.005) 15.451 1.970 ( 8.065 5.813 -7.565) 12.492 2.137 ( -0.318 0.179 -10.532) 10.538 2.576 ( 0.714 12.770 13.702) 18.744 2.972 ( -5.414 0.838 -2.062) 5.854 3.692 ( 11.890 3.238 -1.402) 12.402 4.408 ( -1.143 7.516 -0.352) 7.610 4.554 ( 7.414 -2.255 3.195) 8.382 5.356 ( 3.739 -25.746 -11.473) 28.433 7.456 ( -2.298 8.557 8.603) 12.349 8.531 ( -6.075 12.534 -3.275) 14.308 24.858 ( -0.726 28.037 -1.138) 28.070 27.240 ( 0.915 4.209 0.531) 4.340 28.504 ( 3.838 -5.094 0.216) 6.382 32.570 ( -2.868 -33.605 -1.792) 33.775 96.038 ( -0.973 15.409 -3.135) 15.755 98.526 ( -4.101 -13.820 0.954) 14.447 ======================= Grid point 535 (260/413) ======================= q-point: ( 0.15 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 4.698 0.146 12.619) 13.466 1.719 ( 9.456 6.059 7.356) 13.425 2.044 ( 0.512 -1.592 -9.226) 9.376 2.116 ( 10.407 4.514 -6.189) 12.922 2.680 ( 1.469 9.279 8.679) 12.790 2.860 ( -4.208 3.318 -1.883) 5.681 3.936 ( 14.524 2.905 -1.221) 14.862 4.388 ( -1.004 6.487 0.155) 6.566 4.803 ( 13.841 -6.724 9.196) 17.926 5.337 ( 4.655 -23.956 -14.990) 28.640 7.454 ( -3.914 7.190 6.587) 10.507 8.363 ( -9.497 11.449 -1.981) 15.006 24.835 ( -1.067 27.511 -0.580) 27.538 27.267 ( 1.651 5.258 0.391) 5.525 28.597 ( 5.938 -4.625 -0.263) 7.531 32.484 ( -5.022 -32.730 -1.317) 33.139 96.000 ( -1.157 14.493 -1.605) 14.628 98.435 ( -6.168 -11.882 1.034) 13.427 ======================= Grid point 536 (261/413) ======================= q-point: ( 0.23 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 4.883 -1.631 9.717) 10.997 1.901 ( 6.039 1.942 -0.613) 6.373 1.995 ( 1.167 -0.555 -4.182) 4.377 2.286 ( 9.507 5.398 -2.245) 11.161 2.723 ( -1.121 9.217 0.719) 9.313 2.844 ( 3.377 -1.278 2.156) 4.206 4.194 ( 13.046 2.710 0.732) 13.344 4.373 ( -0.850 4.295 0.368) 4.394 5.138 ( 9.177 -16.980 14.116) 23.912 5.350 ( 13.079 -14.665 -18.297) 26.850 7.402 ( -5.770 5.224 3.741) 8.636 8.165 ( -10.480 8.568 -0.664) 13.553 24.811 ( -1.125 27.213 -0.291) 27.238 27.304 ( 2.006 6.815 0.238) 7.108 28.712 ( 6.472 -3.747 -0.328) 7.486 32.372 ( -5.913 -31.535 -0.841) 32.095 95.973 ( -0.911 13.701 -0.678) 13.748 98.321 ( -6.561 -9.770 0.777) 11.794 ======================= Grid point 537 (262/413) ======================= q-point: ( 0.31 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 4.166 -2.085 7.291) 8.652 1.923 ( 2.145 -2.657 -6.843) 7.648 2.045 ( 2.967 2.766 0.870) 4.148 2.402 ( 3.888 7.157 -0.467) 8.158 2.701 ( -1.023 9.454 0.134) 9.510 2.964 ( 7.420 -7.330 0.520) 10.443 4.351 ( -0.829 1.514 0.726) 1.873 4.424 ( 8.717 1.876 2.613) 9.292 5.258 ( 4.388 -22.039 -2.068) 22.566 5.638 ( 19.782 -8.103 -0.233) 21.378 7.296 ( -7.341 2.781 0.930) 7.905 7.974 ( -9.691 4.577 0.067) 10.718 24.790 ( -0.971 27.188 -0.180) 27.206 27.342 ( 1.878 8.540 0.111) 8.744 28.825 ( 5.741 -2.754 -0.174) 6.370 32.261 ( -5.378 -30.270 -0.464) 30.748 95.956 ( -0.533 13.139 -0.231) 13.152 98.209 ( -5.748 -7.812 0.348) 9.705 ======================= Grid point 538 (263/413) ======================= q-point: ( 0.38 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 0.092 -2.378 -2.239) 3.267 1.993 ( 2.422 -0.225 1.255) 2.737 2.098 ( 2.375 1.599 1.885) 3.428 2.440 ( 1.314 5.495 -0.583) 5.680 2.681 ( -1.066 8.501 -0.667) 8.594 3.097 ( 6.192 -8.539 -0.454) 10.557 4.329 ( -1.337 -0.814 -0.201) 1.578 4.566 ( 3.956 -0.369 3.582) 5.349 5.350 ( 6.804 -17.143 -1.984) 18.550 5.988 ( 16.270 -8.885 3.227) 18.817 7.150 ( -7.979 -0.313 -1.576) 8.139 7.814 ( -7.499 0.730 0.416) 7.546 24.774 ( -0.634 27.393 -0.141) 27.400 27.373 ( 1.259 10.034 0.048) 10.113 28.917 ( 4.080 -1.985 -0.083) 4.538 32.174 ( -3.520 -29.184 -0.246) 29.397 95.949 ( -0.136 12.828 -0.071) 12.829 98.118 ( -4.175 -6.248 0.066) 7.515 ======================= Grid point 539 (264/413) ======================= q-point: (-0.54 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -3.652 -0.397 1.408) 3.934 1.989 ( -1.728 1.153 -2.707) 3.412 2.166 ( 1.797 0.407 4.434) 4.802 2.470 ( 3.542 2.036 -2.163) 4.622 2.652 ( -0.946 7.445 -1.935) 7.750 3.169 ( 1.538 -6.544 -0.223) 6.726 4.305 ( -0.791 -2.205 -0.588) 2.415 4.632 ( 1.009 -2.435 2.883) 3.906 5.444 ( 2.848 -13.067 0.411) 13.380 6.280 ( 12.068 -7.131 4.210) 14.636 6.990 ( -6.552 -4.782 -4.167) 9.119 7.710 ( -4.117 -1.803 0.987) 4.602 24.765 ( -0.154 27.742 -0.127) 27.743 27.388 ( 0.278 10.930 0.070) 10.934 28.972 ( 1.888 -1.716 -0.179) 2.558 32.131 ( -0.758 -28.480 -0.234) 28.491 95.950 ( 0.291 12.783 -0.086) 12.787 98.058 ( -2.270 -5.245 0.111) 5.716 ======================= Grid point 540 (265/413) ======================= q-point: (-0.46 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -8.433 2.168 3.796) 9.499 1.905 ( -5.493 0.829 -0.943) 5.634 2.217 ( 0.837 -0.221 3.251) 3.365 2.546 ( 6.554 -0.370 -3.726) 7.548 2.623 ( -0.290 6.604 -2.694) 7.138 3.142 ( -4.734 -3.308 0.725) 5.821 4.298 ( 0.704 -1.770 -0.646) 2.012 4.652 ( -0.753 -4.009 2.104) 4.590 5.427 ( -5.766 -9.887 0.869) 11.479 6.478 ( 4.373 -1.694 5.369) 7.129 6.876 ( 0.056 -11.962 -7.052) 13.886 7.681 ( -0.088 -2.447 2.193) 3.286 24.767 ( 0.414 28.151 -0.141) 28.154 27.384 ( -0.812 10.997 0.169) 11.028 28.983 ( -0.468 -2.099 -0.458) 2.199 32.143 ( 2.246 -28.287 -0.436) 28.379 95.959 ( 0.844 13.043 -0.263) 13.073 98.036 ( -0.329 -4.886 0.564) 4.930 ======================= Grid point 541 (266/413) ======================= q-point: (-0.38 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( -11.710 2.943 4.760) 12.979 1.786 ( -8.076 2.138 3.818) 9.186 2.250 ( 1.074 -1.115 0.999) 1.842 2.572 ( -1.019 5.486 -4.122) 6.937 2.667 ( 7.161 -0.989 -3.581) 8.067 3.010 ( -10.208 0.545 2.154) 10.447 4.321 ( 2.024 0.395 -0.706) 2.180 4.637 ( -2.237 -5.220 1.879) 5.982 5.237 ( -14.646 -6.572 -0.391) 16.057 6.482 ( -5.482 -2.567 0.611) 6.084 6.927 ( 8.825 -11.992 -4.411) 15.529 7.739 ( 3.929 -1.412 4.041) 5.810 24.779 ( 1.022 28.557 -0.220) 28.576 27.361 ( -1.713 10.219 0.312) 10.367 28.948 ( -2.756 -3.101 -0.899) 4.245 32.205 ( 4.790 -28.654 -0.784) 29.062 95.978 ( 1.644 13.657 -0.708) 13.774 98.055 ( 1.561 -5.208 1.491) 5.637 ======================= Grid point 542 (267/413) ======================= q-point: (-0.31 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( -13.116 1.718 6.535) 14.755 1.675 ( -8.572 5.524 8.668) 13.384 2.271 ( 1.189 -1.682 -1.115) 2.342 2.492 ( -4.584 6.614 -4.291) 9.120 2.749 ( -0.557 -1.758 -0.557) 1.926 2.838 ( -4.938 3.752 0.289) 6.209 4.349 ( 0.856 1.867 -0.475) 2.108 4.604 ( -2.732 -5.179 2.299) 6.291 4.900 ( -19.715 -2.259 -2.162) 19.961 6.328 ( -8.318 -10.025 -6.451) 14.536 7.076 ( 8.054 -4.524 -0.357) 9.244 7.887 ( 8.134 0.669 5.799) 10.012 24.801 ( 1.621 28.919 -0.441) 28.968 27.327 ( -2.209 8.798 0.454) 9.083 28.869 ( -4.874 -4.431 -1.424) 6.739 32.303 ( 6.351 -29.543 -1.149) 30.240 96.010 ( 2.695 14.600 -1.643) 14.937 98.117 ( 3.503 -6.284 2.863) 7.743 ======================= Grid point 543 (268/413) ======================= q-point: (-0.23 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -12.127 0.949 10.148) 15.842 1.590 ( -8.649 8.332 11.189) 16.413 2.272 ( 0.021 -1.046 -2.583) 2.787 2.346 ( -7.870 9.045 -1.496) 12.082 2.605 ( -10.150 4.647 2.699) 11.485 2.879 ( 5.341 -0.754 -3.944) 6.681 4.292 ( -11.056 -2.110 1.821) 11.402 4.517 ( -8.748 4.118 -4.409) 10.627 4.612 ( -3.982 -1.851 2.619) 5.113 6.083 ( -10.736 -15.966 -12.204) 22.784 7.204 ( 4.730 2.016 2.818) 5.863 8.117 ( 11.671 3.580 5.776) 13.506 24.831 ( 2.075 29.185 -0.907) 29.272 27.289 ( -2.226 7.084 0.559) 7.447 28.750 ( -6.574 -5.504 -1.675) 8.735 32.417 ( 6.670 -30.831 -1.452) 31.578 96.052 ( 3.594 15.645 -3.257) 16.380 98.227 ( 5.503 -8.297 4.158) 10.790 ======================= Grid point 544 (269/413) ======================= q-point: (-0.15 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -8.235 1.855 14.272) 16.581 1.497 ( -10.260 9.636 10.772) 17.725 2.180 ( -7.389 9.890 0.169) 12.347 2.257 ( -1.578 1.914 -2.122) 3.264 2.459 ( -6.568 7.336 2.002) 10.048 2.945 ( 4.580 -1.158 -3.196) 5.703 3.976 ( -18.676 0.171 0.276) 18.678 4.434 ( -0.394 5.337 -1.318) 5.512 4.594 ( -1.944 -1.037 2.050) 3.009 5.772 ( -11.302 -19.511 -14.847) 26.997 7.296 ( 1.990 6.259 5.773) 8.744 8.375 ( 11.794 6.880 2.995) 13.979 24.861 ( 2.039 29.255 -1.603) 29.370 27.255 ( -1.803 5.478 0.617) 5.800 28.611 ( -6.855 -5.738 -1.043) 9.000 32.522 ( 5.642 -32.277 -1.748) 32.813 96.089 ( 3.450 16.390 -5.124) 17.515 98.373 ( 6.536 -11.256 4.130) 13.656 ======================= Grid point 545 (270/413) ======================= q-point: (-0.08 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -2.548 3.497 16.498) 17.056 1.376 ( -10.027 11.076 10.383) 18.194 2.033 ( -5.656 7.133 -5.837) 10.814 2.234 ( 0.095 5.683 -0.994) 5.770 2.409 ( -2.526 10.798 7.213) 13.229 3.008 ( 4.172 -1.780 -1.901) 4.918 3.687 ( -11.581 2.600 -0.357) 11.874 4.433 ( 0.289 6.423 0.020) 6.430 4.547 ( -3.912 -0.992 0.093) 4.037 5.500 ( -5.831 -22.048 -12.960) 26.231 7.366 ( 0.229 8.411 8.059) 11.651 8.565 ( 7.195 9.760 -0.973) 12.165 24.879 ( 1.215 29.060 -2.079) 29.160 27.233 ( -1.029 4.334 0.639) 4.500 28.499 ( -4.370 -5.361 0.217) 6.920 32.593 ( 3.295 -33.450 -2.035) 33.674 96.100 ( 1.905 16.572 -5.914) 17.699 98.505 ( 4.518 -14.046 2.454) 14.958 ======================= Grid point 546 (271/413) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 0.880 5.685 11.336) 12.713 1.577 ( -1.397 12.683 8.102) 15.115 2.072 ( 0.627 6.038 -6.364) 8.795 2.204 ( 0.459 -2.396 -11.839) 12.088 2.767 ( -0.304 14.699 11.597) 18.726 3.008 ( -0.291 -1.210 1.924) 2.292 3.673 ( 0.860 6.279 -1.224) 6.455 4.441 ( -0.910 -2.469 -0.720) 2.728 4.499 ( -1.234 -2.011 2.486) 3.427 5.051 ( 1.882 -8.679 -16.943) 19.129 7.651 ( -0.840 13.533 8.530) 16.019 8.761 ( -0.035 3.154 1.097) 3.340 25.548 ( -0.000 38.545 -2.740) 38.642 27.323 ( -0.113 5.758 0.630) 5.794 28.338 ( 0.103 -7.250 0.609) 7.276 31.805 ( 0.097 -46.262 -2.286) 46.319 96.404 ( 0.118 16.196 -5.584) 17.132 98.242 ( -0.079 -16.567 1.269) 16.616 ======================= Grid point 547 (272/413) ======================= q-point: ( 0.08 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 1.174 3.499 11.672) 12.242 1.681 ( 5.743 10.697 7.576) 14.311 2.065 ( 1.944 1.744 -7.050) 7.518 2.135 ( 3.009 1.104 -10.785) 11.251 2.831 ( -0.848 12.148 8.662) 14.944 2.987 ( -3.160 0.748 1.635) 3.636 3.775 ( 10.347 5.144 -1.115) 11.608 4.462 ( 3.345 -2.689 1.012) 4.410 4.503 ( -0.883 -2.643 3.294) 4.315 4.992 ( 4.535 -10.405 -16.404) 19.948 7.672 ( -3.377 12.785 8.015) 15.463 8.697 ( -6.981 4.279 0.118) 8.189 25.522 ( -0.843 38.295 -1.947) 38.353 27.344 ( 1.767 6.186 0.577) 6.459 28.382 ( 4.134 -7.098 0.259) 8.219 31.770 ( -2.115 -46.016 -1.946) 46.106 96.359 ( -1.118 16.350 -3.843) 16.833 98.225 ( -2.517 -15.977 0.911) 16.200 ======================= Grid point 548 (273/413) ======================= q-point: ( 0.15 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 2.997 1.391 10.766) 11.261 1.855 ( 6.732 7.076 4.532) 10.767 2.005 ( -0.221 -2.160 -7.814) 8.110 2.207 ( 9.592 4.157 -5.957) 12.032 2.857 ( -1.689 7.905 4.757) 9.379 2.934 ( -3.170 4.136 1.329) 5.378 4.001 ( 13.714 3.472 -0.704) 14.164 4.464 ( -2.380 0.604 0.830) 2.592 4.613 ( 6.128 -10.803 7.211) 14.362 4.990 ( 8.895 -11.116 -16.414) 21.728 7.638 ( -5.917 10.942 6.189) 13.893 8.521 ( -11.633 4.361 0.142) 12.424 25.492 ( -1.157 38.111 -1.099) 38.144 27.395 ( 3.242 7.456 0.476) 8.144 28.486 ( 6.720 -6.516 -0.126) 9.361 31.703 ( -3.728 -45.064 -1.415) 45.240 96.312 ( -1.457 16.355 -2.170) 16.562 98.169 ( -3.903 -14.413 0.778) 14.953 ======================= Grid point 549 (274/413) ======================= q-point: ( 0.23 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 4.240 -0.151 8.654) 9.638 1.906 ( 1.290 -0.971 -7.524) 7.695 2.036 ( 4.126 4.009 2.501) 6.273 2.379 ( 11.333 3.441 -2.181) 12.043 2.837 ( -2.715 1.770 2.086) 3.854 2.899 ( -1.575 7.079 0.664) 7.282 4.247 ( 11.932 2.373 1.129) 12.218 4.419 ( -3.013 0.104 1.035) 3.188 4.741 ( 3.958 -18.343 1.257) 18.807 5.136 ( 16.403 -9.807 -7.798) 20.641 7.541 ( -8.264 8.561 3.563) 12.421 8.283 ( -13.722 3.138 0.255) 14.079 25.465 ( -1.091 38.099 -0.466) 38.117 27.466 ( 3.990 9.298 0.358) 10.124 28.620 ( 7.589 -5.551 -0.279) 9.407 31.618 ( -4.404 -43.684 -0.837) 43.913 96.275 ( -1.226 16.252 -1.030) 16.330 98.097 ( -4.228 -12.457 0.570) 13.168 ======================= Grid point 550 (275/413) ======================= q-point: ( 0.31 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 2.992 -0.799 6.497) 7.197 1.888 ( 3.574 -1.119 -6.159) 7.209 2.111 ( 2.527 3.730 0.890) 4.592 2.543 ( 5.265 6.041 -0.319) 8.020 2.825 ( 1.806 -5.198 0.663) 5.543 2.873 ( -1.443 6.951 0.051) 7.100 4.351 ( -3.308 -1.488 1.366) 3.876 4.450 ( 5.997 0.414 2.458) 6.495 4.836 ( 8.450 -18.857 -3.016) 20.883 5.431 ( 17.188 -12.474 -0.383) 21.240 7.386 ( -9.988 6.177 0.858) 11.775 8.030 ( -13.308 0.907 0.121) 13.339 25.446 ( -0.786 38.307 -0.086) 38.315 27.542 ( 3.802 11.309 0.265) 11.934 28.754 ( 6.844 -4.497 -0.281) 8.194 31.534 ( -3.979 -42.205 -0.346) 42.394 96.252 ( -0.756 16.142 -0.425) 16.165 98.026 ( -3.735 -10.517 0.301) 11.165 ======================= Grid point 551 (276/413) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.968 -0.412 -1.394) 1.746 1.982 ( 3.998 -0.678 1.593) 4.357 2.149 ( 1.268 3.306 0.961) 3.668 2.551 ( -2.258 4.912 -0.662) 5.447 2.830 ( -0.610 5.466 -3.849) 6.713 2.937 ( 5.869 -6.049 3.302) 9.052 4.292 ( -3.173 -2.803 0.276) 4.243 4.538 ( 1.900 -2.895 2.367) 4.195 5.008 ( 10.307 -15.807 -0.536) 18.878 5.739 ( 15.061 -15.706 1.909) 21.844 7.191 ( -10.590 4.320 -1.454) 11.529 7.806 ( -10.470 -1.582 0.120) 10.590 25.435 ( -0.327 38.682 0.079) 38.684 27.605 ( 2.654 13.029 0.234) 13.299 28.862 ( 4.802 -3.682 -0.296) 6.058 31.471 ( -2.497 -40.937 -0.054) 41.013 96.241 ( -0.202 16.087 -0.194) 16.090 97.966 ( -2.725 -8.906 0.119) 9.315 ======================= Grid point 552 (277/413) ======================= q-point: (-0.54 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.976 0.953 1.048) 1.720 2.008 ( -1.442 0.632 -1.983) 2.532 2.188 ( 0.878 1.851 3.996) 4.491 2.509 ( -0.017 1.524 -2.372) 2.820 2.790 ( -0.832 6.091 -3.185) 6.924 3.051 ( 3.670 -4.753 1.945) 6.312 4.250 ( -0.990 -3.081 -0.292) 3.249 4.570 ( 0.091 -3.906 1.620) 4.230 5.167 ( 5.458 -14.023 1.440) 15.117 6.009 ( 12.167 -18.996 2.257) 22.671 6.986 ( -9.269 3.789 -2.914) 10.429 7.657 ( -5.668 -3.499 0.756) 6.704 25.435 ( 0.221 39.116 0.063) 39.117 27.640 ( 0.777 14.040 0.276) 14.064 28.923 ( 1.946 -3.368 -0.385) 3.909 31.444 ( -0.278 -40.111 -0.042) 40.112 96.241 ( 0.432 16.113 -0.210) 16.120 97.928 ( -1.491 -7.842 0.136) 7.984 ======================= Grid point 553 (278/413) ======================= q-point: (-0.46 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -5.545 3.653 2.722) 7.177 1.925 ( -4.887 1.137 -1.067) 5.130 2.220 ( -0.672 0.553 4.057) 4.149 2.532 ( 4.631 -0.877 -4.022) 6.196 2.756 ( -0.504 6.326 -2.917) 6.984 3.088 ( -1.179 -2.010 1.446) 2.743 4.260 ( 2.521 -1.860 -0.759) 3.223 4.564 ( -1.730 -4.573 1.166) 5.027 5.208 ( -2.288 -11.576 1.128) 11.854 6.203 ( 6.620 -22.923 0.227) 23.861 6.835 ( -3.711 5.365 -1.948) 6.807 7.614 ( 0.010 -4.286 2.199) 4.817 25.444 ( 0.811 39.494 -0.119) 39.503 27.637 ( -1.347 14.082 0.369) 14.151 28.926 ( -1.188 -3.684 -0.524) 3.906 31.460 ( 2.111 -39.870 -0.328) 39.927 96.254 ( 1.240 16.221 -0.457) 16.275 97.914 ( -0.229 -7.436 0.419) 7.452 ======================= Grid point 554 (279/413) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -10.664 4.156 1.150) 11.503 1.854 ( -4.729 4.727 5.270) 8.514 2.230 ( -0.292 -0.814 1.489) 1.722 2.594 ( 4.348 -2.105 -4.560) 6.643 2.731 ( 0.456 6.125 -2.910) 6.796 3.032 ( -5.769 1.516 1.902) 6.261 4.320 ( 3.833 -0.362 -1.547) 4.149 4.530 ( -2.369 -5.029 1.572) 5.777 5.097 ( -9.514 -7.360 -0.995) 12.070 6.209 ( -3.668 -22.745 -6.209) 23.861 6.870 ( 6.892 4.626 3.071) 8.851 7.687 ( 5.207 -3.829 4.346) 7.789 25.463 ( 1.412 39.729 -0.466) 39.757 27.597 ( -3.148 13.147 0.472) 13.527 28.872 ( -4.132 -4.569 -0.675) 6.197 31.515 ( 4.053 -40.279 -0.829) 40.491 96.282 ( 2.303 16.375 -1.051) 16.570 97.926 ( 1.000 -7.734 1.022) 7.866 ======================= Grid point 555 (280/413) ======================= q-point: (-0.31 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -11.514 5.296 2.965) 13.016 1.814 ( -5.044 8.115 8.291) 12.650 2.233 ( 0.494 -2.030 -1.317) 2.469 2.591 ( -1.141 1.520 -4.591) 4.969 2.739 ( 1.538 2.685 -2.095) 3.736 2.927 ( -5.976 4.696 2.331) 7.949 4.323 ( -3.739 -3.839 0.252) 5.365 4.539 ( 2.714 -0.941 0.364) 2.895 4.863 ( -12.932 -1.861 -3.702) 13.579 6.020 ( -8.875 -20.206 -11.385) 24.832 7.077 ( 10.408 3.970 5.519) 12.431 7.867 ( 9.728 -2.612 6.825) 12.167 25.489 ( 1.967 39.764 -0.993) 39.825 27.531 ( -4.191 11.476 0.551) 12.229 28.767 ( -6.487 -5.737 -0.785) 8.695 31.593 ( 5.127 -41.301 -1.383) 41.641 96.324 ( 3.493 16.475 -2.198) 16.984 97.967 ( 2.237 -8.786 1.914) 9.266 ======================= Grid point 556 (281/413) ======================= q-point: (-0.23 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -9.281 7.193 6.060) 13.214 1.776 ( -6.067 9.976 8.705) 14.564 2.228 ( 0.890 -2.711 -3.669) 4.648 2.504 ( -4.241 4.631 -4.766) 7.883 2.709 ( -4.917 6.325 3.374) 8.693 2.891 ( 1.271 2.384 -0.476) 2.743 4.200 ( -10.690 -5.149 2.984) 12.235 4.560 ( -4.372 1.238 -3.303) 5.618 4.645 ( -2.230 2.644 -2.930) 4.533 5.738 ( -10.709 -18.579 -15.180) 26.273 7.298 ( 8.388 6.888 5.945) 12.375 8.138 ( 13.133 -1.238 8.154) 15.507 25.520 ( 2.311 39.579 -1.714) 39.683 27.455 ( -4.293 9.472 0.597) 10.416 28.627 ( -7.755 -6.727 -0.686) 10.289 31.679 ( 5.175 -42.767 -1.851) 43.119 96.375 ( 4.252 16.390 -3.949) 17.387 98.036 ( 3.390 -10.665 2.767) 11.528 ======================= Grid point 557 (282/413) ======================= q-point: (-0.15 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -4.955 8.577 9.028) 13.402 1.704 ( -7.944 10.780 7.662) 15.428 2.208 ( -0.024 -1.853 -4.952) 5.288 2.378 ( -3.987 4.414 -7.517) 9.585 2.661 ( -4.082 12.293 8.758) 15.636 2.930 ( 2.738 0.138 -0.497) 2.787 3.977 ( -13.794 0.237 1.283) 13.856 4.449 ( -2.655 -0.690 -0.805) 2.858 4.634 ( -0.949 2.265 -1.892) 3.100 5.428 ( -8.895 -15.431 -17.855) 25.220 7.467 ( 4.957 10.402 6.705) 13.332 8.441 ( 12.731 0.173 6.735) 14.404 25.547 ( 2.118 39.221 -2.515) 39.358 27.386 ( -3.499 7.596 0.620) 8.386 28.482 ( -7.177 -7.182 -0.194) 10.156 31.753 ( 4.215 -44.366 -2.181) 44.620 96.417 ( 3.802 16.160 -5.735) 17.564 98.126 ( 3.807 -13.221 2.902) 14.061 ======================= Grid point 558 (283/413) ======================= q-point: (-0.08 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -0.714 8.108 10.730) 13.468 1.610 ( -7.350 11.842 7.536) 15.845 2.141 ( -2.616 3.375 -5.672) 7.099 2.276 ( 0.200 -0.169 -10.773) 10.776 2.690 ( -1.218 15.115 11.977) 19.323 2.978 ( 2.089 -0.787 0.855) 2.390 3.759 ( -8.920 4.639 -0.392) 10.062 4.439 ( 0.296 -2.626 1.599) 3.089 4.563 ( -4.914 -0.044 -1.044) 5.024 5.183 ( -2.864 -10.632 -18.342) 21.393 7.582 ( 1.851 12.774 7.862) 15.113 8.674 ( 7.571 1.636 3.630) 8.554 25.558 ( 1.204 38.841 -2.989) 38.975 27.339 ( -2.002 6.264 0.635) 6.606 28.373 ( -4.262 -7.242 0.442) 8.414 31.799 ( 2.396 -45.665 -2.351) 45.788 96.428 ( 2.086 16.059 -6.442) 17.428 98.207 ( 2.539 -15.580 2.123) 15.928 ======================= Grid point 559 (284/413) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.566 7.574 4.203) 8.681 1.811 ( -0.768 10.658 5.708) 12.114 2.116 ( -0.126 -5.988 -11.459) 12.930 2.162 ( 0.756 2.625 -4.363) 5.148 3.015 ( -0.172 4.805 4.341) 6.478 3.023 ( -0.109 7.763 3.598) 8.557 3.817 ( 1.043 8.016 -1.243) 8.178 4.377 ( -1.318 -3.977 -0.977) 4.302 4.447 ( -0.834 -1.183 -0.023) 1.448 4.932 ( 1.758 -5.591 -14.722) 15.845 7.940 ( -0.685 15.029 8.111) 17.092 8.760 ( -0.133 -2.861 4.550) 5.377 26.401 ( -0.067 46.840 -3.111) 46.943 27.456 ( -0.131 7.460 0.625) 7.487 28.177 ( 0.136 -8.745 0.532) 8.763 30.796 ( 0.044 -54.384 -2.679) 54.450 96.715 ( 0.148 15.078 -4.614) 15.769 97.913 ( -0.048 -16.340 0.523) 16.349 ======================= Grid point 560 (285/413) ======================= q-point: ( 0.08 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 1.056 4.940 5.743) 7.648 1.884 ( 3.873 9.350 5.120) 11.342 2.017 ( -1.315 -4.739 -9.194) 10.426 2.189 ( 5.088 2.437 -5.452) 7.846 3.010 ( -1.829 2.822 1.411) 3.646 3.042 ( -1.522 7.707 4.103) 8.863 3.895 ( 8.043 6.844 -1.257) 10.635 4.381 ( 1.835 -3.808 1.481) 4.479 4.446 ( 0.293 -2.399 -0.720) 2.522 4.857 ( 1.276 -5.658 -13.220) 14.437 7.947 ( -4.681 14.289 7.429) 16.772 8.716 ( -7.345 -2.016 3.088) 8.219 26.372 ( -0.855 46.695 -2.328) 46.760 27.484 ( 2.707 7.890 0.585) 8.362 28.225 ( 4.521 -8.569 0.256) 9.692 30.765 ( -1.359 -54.195 -2.227) 54.258 96.678 ( -0.873 15.654 -3.376) 16.038 97.902 ( -1.324 -16.171 0.316) 16.228 ======================= Grid point 561 (286/413) ======================= q-point: ( 0.15 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 2.580 2.715 6.337) 7.361 1.925 ( -0.237 -2.344 -7.203) 7.578 2.023 ( 4.991 6.070 3.855) 8.753 2.271 ( 7.689 2.041 -4.418) 9.100 2.970 ( -3.915 3.786 2.037) 5.815 3.030 ( -1.470 4.909 0.923) 5.207 4.075 ( 11.558 4.188 -1.064) 12.340 4.408 ( -1.353 -3.848 0.929) 4.184 4.474 ( 2.303 -3.964 1.721) 4.897 4.815 ( 5.168 -8.024 -11.373) 14.847 7.875 ( -8.139 12.403 5.709) 15.896 8.546 ( -12.577 -1.524 2.138) 12.849 26.340 ( -1.075 46.631 -1.367) 46.664 27.561 ( 4.935 9.074 0.492) 10.341 28.340 ( 7.502 -8.044 -0.047) 10.999 30.716 ( -2.395 -53.333 -1.568) 53.410 96.638 ( -1.214 16.224 -2.069) 16.401 97.872 ( -2.069 -15.244 0.282) 15.386 ======================= Grid point 562 (287/413) ======================= q-point: ( 0.23 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 4.165 1.027 5.587) 7.044 1.882 ( 0.919 -1.373 -5.801) 6.032 2.129 ( 3.598 5.147 2.224) 6.663 2.414 ( 9.633 0.120 -1.340) 9.727 2.893 ( -5.565 3.623 1.265) 6.760 3.008 ( -1.115 3.492 -0.433) 3.691 4.279 ( 8.848 0.698 0.196) 8.877 4.385 ( -0.824 -2.513 1.492) 3.036 4.485 ( -0.142 -7.219 -1.912) 7.469 4.926 ( 12.376 -11.230 -4.626) 17.340 7.731 ( -10.717 10.087 3.242) 15.071 8.295 ( -15.249 -1.644 1.152) 15.381 26.314 ( -0.864 46.759 -0.539) 46.770 27.668 ( 6.072 10.756 0.381) 12.357 28.491 ( 8.587 -7.309 -0.218) 11.278 30.657 ( -2.846 -52.063 -0.847) 52.148 96.606 ( -1.046 16.663 -1.082) 16.730 97.833 ( -2.232 -13.913 0.249) 14.093 ======================= Grid point 563 (288/413) ======================= q-point: ( 0.31 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 4.052 0.234 5.083) 6.505 1.876 ( 2.901 -0.065 -4.684) 5.510 2.191 ( 2.076 4.270 0.711) 4.800 2.578 ( 6.717 -3.132 0.396) 7.422 2.801 ( -3.466 3.398 -0.089) 4.855 2.981 ( -1.524 3.360 -0.148) 3.692 4.301 ( -4.125 -3.103 1.841) 5.480 4.407 ( 0.519 -5.591 0.078) 5.616 4.576 ( 10.910 -5.597 -1.232) 12.324 5.157 ( 13.343 -14.531 -0.290) 19.730 7.531 ( -12.023 8.005 0.626) 14.457 8.013 ( -15.120 -2.352 0.087) 15.302 26.300 ( -0.434 47.083 0.017) 47.085 27.783 ( 5.811 12.581 0.302) 13.861 28.644 ( 7.778 -6.567 -0.300) 10.184 30.602 ( -2.554 -50.721 -0.220) 50.786 96.584 ( -0.622 16.966 -0.507) 16.985 97.795 ( -1.946 -12.498 0.172) 12.650 ======================= Grid point 564 (289/413) ======================= q-point: ( 0.38 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 1.541 1.199 -0.760) 2.095 1.970 ( 4.337 -0.538 1.329) 4.568 2.223 ( 0.907 3.939 0.704) 4.103 2.586 ( -3.779 -2.380 -1.344) 4.664 2.838 ( 6.140 0.645 -1.288) 6.307 2.954 ( -1.648 3.216 2.143) 4.202 4.230 ( -3.811 -3.021 1.003) 4.965 4.434 ( 1.859 -7.310 0.979) 7.606 4.772 ( 9.387 -7.139 1.019) 11.838 5.394 ( 11.508 -18.060 1.079) 21.442 7.305 ( -11.604 6.712 -1.455) 13.484 7.754 ( -12.139 -3.471 -0.465) 12.634 26.298 ( 0.072 47.506 0.265) 47.507 27.879 ( 4.109 14.141 0.296) 14.729 28.766 ( 5.401 -6.008 -0.383) 8.088 30.564 ( -1.468 -49.597 0.164) 49.619 96.575 ( -0.098 17.156 -0.270) 17.158 97.765 ( -1.389 -11.267 0.100) 11.353 ======================= Grid point 565 (290/413) ======================= q-point: (-0.54 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 0.855 2.008 0.728) 2.300 2.012 ( -0.676 -0.182 -0.665) 0.965 2.241 ( -0.095 3.350 2.369) 4.104 2.514 ( -1.317 -1.145 -2.586) 3.120 2.886 ( 0.792 3.475 -3.538) 5.022 2.995 ( 2.961 -0.963 4.040) 5.101 4.194 ( -0.252 -2.151 0.577) 2.241 4.474 ( 1.148 -5.753 0.995) 5.950 4.923 ( 5.367 -9.475 1.915) 11.056 5.589 ( 8.494 -21.775 0.725) 23.384 7.098 ( -8.810 6.642 -2.064) 11.225 7.574 ( -6.804 -4.734 0.072) 8.289 26.306 ( 0.578 47.894 0.210) 47.898 27.933 ( 1.294 15.040 0.369) 15.100 28.833 ( 2.012 -5.779 -0.480) 6.138 30.553 ( 0.214 -48.860 0.185) 48.860 96.577 ( 0.506 17.233 -0.283) 17.242 97.746 ( -0.727 -10.413 0.096) 10.439 ======================= Grid point 566 (291/413) ======================= q-point: (-0.46 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( -3.411 3.411 0.691) 4.873 1.952 ( -2.342 1.673 0.247) 2.888 2.245 ( -1.721 2.197 3.135) 4.198 2.509 ( 2.791 -1.510 -3.727) 4.895 2.867 ( -0.129 4.811 -2.262) 5.318 3.060 ( 1.090 -0.984 2.097) 2.560 4.235 ( 4.432 -0.318 -0.278) 4.453 4.479 ( -1.149 -3.850 0.112) 4.020 4.989 ( 0.325 -9.726 1.347) 9.824 5.706 ( 4.100 -25.232 -1.595) 25.613 6.973 ( -3.007 7.549 -0.120) 8.127 7.513 ( -0.245 -5.704 1.783) 5.982 26.322 ( 1.056 48.130 -0.113) 48.142 27.930 ( -1.910 15.026 0.481) 15.154 28.832 ( -1.718 -5.940 -0.535) 6.206 30.574 ( 1.996 -48.607 -0.191) 48.648 96.590 ( 1.251 17.166 -0.532) 17.219 97.740 ( -0.057 -10.037 0.216) 10.040 ======================= Grid point 567 (292/413) ======================= q-point: (-0.38 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( -7.934 5.101 -0.757) 9.463 1.959 ( -0.625 5.036 4.223) 6.602 2.226 ( -1.924 0.833 1.298) 2.466 2.542 ( 3.333 -2.952 -4.271) 6.170 2.853 ( 0.219 5.761 -1.930) 6.080 3.061 ( -2.397 1.117 1.902) 3.258 4.320 ( 3.175 0.932 -2.405) 4.091 4.455 ( 0.591 -2.219 0.282) 2.314 4.951 ( -4.631 -7.111 -0.868) 8.531 5.703 ( -1.646 -26.327 -6.018) 27.056 7.005 ( 4.964 7.780 4.099) 10.099 7.590 ( 5.934 -5.844 4.278) 9.363 26.343 ( 1.505 48.149 -0.657) 48.177 27.872 ( -4.630 14.114 0.572) 14.865 28.763 ( -5.138 -6.434 -0.509) 8.249 30.621 ( 3.320 -48.925 -0.859) 49.045 96.616 ( 2.163 16.897 -1.099) 17.071 97.747 ( 0.608 -10.184 0.498) 10.214 ======================= Grid point 568 (293/413) ======================= q-point: (-0.31 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -7.688 8.324 0.253) 11.334 1.977 ( -1.528 7.380 5.646) 9.416 2.197 ( -1.014 -1.093 -1.605) 2.190 2.556 ( 1.210 -3.636 -4.519) 5.925 2.849 ( 0.696 6.687 -1.331) 6.854 3.013 ( -3.968 3.644 2.569) 5.969 4.267 ( -5.448 -0.405 -1.070) 5.567 4.539 ( 6.484 0.592 -1.737) 6.738 4.815 ( -7.653 -2.999 -3.666) 9.000 5.566 ( -6.160 -24.373 -10.635) 27.297 7.199 ( 10.574 7.594 7.215) 14.884 7.788 ( 10.784 -5.162 7.060) 13.885 26.367 ( 1.893 47.946 -1.368) 48.003 27.773 ( -6.215 12.565 0.611) 14.032 28.639 ( -7.660 -7.106 -0.399) 10.457 30.680 ( 3.882 -49.830 -1.614) 50.007 96.653 ( 3.062 16.375 -2.095) 16.790 97.770 ( 1.280 -10.888 0.925) 11.002 ======================= Grid point 569 (294/413) ======================= q-point: (-0.23 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( -5.426 10.889 1.564) 12.267 1.971 ( -3.779 9.152 5.465) 11.310 2.168 ( 0.334 -3.191 -4.332) 5.391 2.512 ( -2.188 -2.726 -5.196) 6.263 2.862 ( 0.745 8.202 1.443) 8.361 2.969 ( -2.255 4.841 2.441) 5.872 4.144 ( -7.376 0.388 0.796) 7.429 4.582 ( -3.645 0.980 -3.374) 5.063 4.673 ( -0.625 0.147 -4.243) 4.291 5.345 ( -7.088 -20.747 -14.468) 26.268 7.461 ( 10.883 9.120 7.767) 16.185 8.079 ( 13.742 -4.442 9.090) 17.064 26.392 ( 2.093 47.596 -2.177) 47.691 27.659 ( -6.396 10.753 0.612) 12.526 28.483 ( -8.694 -7.757 -0.175) 11.653 30.737 ( 3.671 -51.168 -2.262) 51.350 96.695 ( 3.490 15.651 -3.456) 16.404 97.808 ( 1.865 -12.175 1.319) 12.387 ======================= Grid point 570 (295/413) ======================= q-point: (-0.15 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -2.366 11.666 2.647) 12.194 1.912 ( -6.149 9.857 4.601) 12.495 2.150 ( 1.711 -4.014 -6.077) 7.481 2.404 ( -4.511 -1.384 -6.775) 8.256 2.899 ( 0.356 10.565 6.139) 12.224 2.969 ( 0.690 4.038 1.071) 4.234 4.005 ( -8.124 3.139 0.709) 8.738 4.457 ( -4.221 1.223 -2.946) 5.290 4.642 ( -3.201 -1.261 -2.105) 4.034 5.131 ( -2.596 -14.853 -17.269) 22.925 7.693 ( 7.743 11.857 7.718) 16.128 8.399 ( 12.826 -4.043 8.824) 16.085 26.411 ( 1.858 47.239 -2.935) 47.366 27.553 ( -5.222 9.071 0.608) 10.485 28.327 ( -7.672 -8.256 0.182) 11.271 30.780 ( 2.828 -52.626 -2.687) 52.771 96.727 ( 2.988 15.000 -4.714) 16.005 97.855 ( 2.003 -13.896 1.361) 14.105 ======================= Grid point 571 (296/413) ======================= q-point: (-0.08 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -0.041 10.315 3.282) 10.824 1.833 ( -5.369 10.367 5.008) 12.703 2.141 ( 2.612 -3.627 -7.590) 8.809 2.264 ( -4.476 -0.674 -7.615) 8.859 2.960 ( 0.338 10.856 8.144) 13.575 2.999 ( 1.436 3.518 0.682) 3.860 3.871 ( -5.586 6.536 -0.639) 8.621 4.401 ( -0.863 -1.001 -0.770) 1.529 4.525 ( -6.396 -2.738 -1.600) 7.139 5.008 ( 1.917 -8.395 -16.704) 18.793 7.855 ( 3.580 14.162 7.999) 16.655 8.650 ( 7.472 -3.608 6.750) 10.696 26.416 ( 1.036 46.997 -3.341) 47.127 27.480 ( -2.976 7.885 0.620) 8.451 28.214 ( -4.445 -8.597 0.510) 9.692 30.801 ( 1.538 -53.812 -2.836) 53.909 96.735 ( 1.651 14.779 -5.186) 15.749 97.895 ( 1.297 -15.508 0.972) 15.593 ======================= Grid point 572 (297/413) ======================= q-point: ( 0.00 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.322 7.992 -2.364) 8.340 1.974 ( 0.181 -7.520 -9.720) 12.290 1.996 ( -0.388 7.596 3.096) 8.212 2.179 ( 0.298 -1.082 -1.787) 2.111 3.092 ( 0.081 4.591 -0.111) 4.594 3.160 ( -0.224 3.598 2.177) 4.211 3.983 ( 0.942 8.417 -1.180) 8.551 4.279 ( -0.967 -5.883 -1.147) 6.071 4.483 ( -0.437 4.753 -2.716) 5.492 4.794 ( 1.217 -8.277 -10.337) 13.298 8.231 ( -0.557 13.746 7.901) 15.864 8.658 ( -0.267 -7.216 6.557) 9.754 27.402 ( -0.191 53.293 -3.233) 53.392 27.618 ( -0.086 8.797 0.598) 8.818 27.995 ( 0.181 -9.433 0.472) 9.446 29.669 ( 0.008 -58.012 -3.054) 58.093 97.008 ( 0.134 14.455 -3.195) 14.804 97.596 ( 0.011 -15.453 -0.585) 15.464 ======================= Grid point 573 (298/413) ======================= q-point: ( 0.08 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.898 5.713 -0.312) 5.791 1.901 ( -0.531 -6.209 -7.832) 10.008 2.051 ( 3.437 6.922 2.953) 8.273 2.208 ( 4.035 -0.714 -2.386) 4.742 3.078 ( -1.392 3.979 -0.375) 4.232 3.149 ( -2.017 2.534 0.407) 3.264 4.041 ( 6.056 7.493 -1.248) 9.715 4.299 ( 3.354 -4.976 0.244) 6.006 4.451 ( -1.394 3.350 -2.300) 4.296 4.724 ( -1.075 -7.756 -8.824) 11.797 8.223 ( -5.931 13.106 6.926) 15.966 8.628 ( -7.321 -6.618 5.060) 11.090 27.367 ( -1.195 52.502 -2.356) 52.568 27.655 ( 3.509 9.189 0.521) 9.850 28.048 ( 5.035 -8.810 0.173) 10.149 29.642 ( -0.697 -57.825 -2.505) 57.883 96.983 ( -0.540 15.025 -2.448) 15.233 97.586 ( -0.625 -15.584 -0.527) 15.605 ======================= Grid point 574 (299/413) ======================= q-point: ( 0.15 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 2.378 3.602 1.374) 4.530 1.853 ( 0.665 -4.167 -5.384) 6.841 2.149 ( 4.414 5.784 2.536) 7.705 2.285 ( 5.869 -0.712 -2.047) 6.256 3.037 ( -2.984 3.134 0.079) 4.328 3.096 ( -2.779 1.458 -1.669) 3.554 4.177 ( 9.148 5.994 -1.319) 11.016 4.379 ( 1.233 -1.246 1.683) 2.430 4.402 ( -0.423 -1.235 -1.195) 1.770 4.646 ( 0.344 -8.928 -7.675) 11.778 8.116 ( -10.200 11.460 5.223) 16.207 8.471 ( -12.593 -5.797 3.593) 14.321 27.331 ( -1.142 52.019 -1.318) 52.049 27.751 ( 6.301 9.901 0.392) 11.743 28.172 ( 8.042 -8.259 -0.069) 11.528 29.608 ( -1.238 -57.089 -1.731) 57.129 96.956 ( -0.777 15.628 -1.590) 15.728 97.567 ( -0.954 -15.300 -0.332) 15.333 ======================= Grid point 575 (300/413) ======================= q-point: ( 0.23 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 4.021 1.857 2.024) 4.870 1.849 ( 2.059 -1.960 -3.092) 4.200 2.234 ( 2.984 5.161 1.371) 6.117 2.391 ( 6.124 -2.250 -0.256) 6.529 2.965 ( -4.571 3.273 -0.156) 5.624 3.039 ( -1.628 -0.029 -1.992) 2.573 4.300 ( 0.259 2.135 -2.658) 3.419 4.364 ( 1.433 -0.108 2.108) 2.551 4.404 ( 0.963 -1.117 -0.427) 1.535 4.697 ( 9.094 -11.464 -2.996) 14.936 7.928 ( -12.864 9.474 2.877) 16.233 8.227 ( -15.399 -5.055 1.869) 16.315 27.308 ( -0.610 52.235 -0.456) 52.240 27.886 ( 7.760 10.912 0.266) 13.392 28.333 ( 9.010 -8.238 -0.155) 12.209 29.573 ( -1.540 -56.071 -0.886) 56.099 96.933 ( -0.653 16.129 -0.885) 16.167 97.547 ( -0.965 -14.737 -0.141) 14.769 ======================= Grid point 576 (301/413) ======================= q-point: ( 0.31 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 4.878 0.545 2.007) 5.303 1.879 ( 2.793 0.084 -1.562) 3.201 2.281 ( 1.504 4.739 0.501) 4.997 2.484 ( 2.941 -5.298 0.539) 6.084 2.890 ( -2.250 4.501 -0.537) 5.060 3.005 ( -1.186 -0.696 -0.542) 1.478 4.250 ( -3.582 -1.416 0.941) 3.965 4.299 ( -2.982 -3.917 -1.014) 5.026 4.556 ( 9.067 2.103 0.978) 9.359 4.875 ( 10.220 -13.120 0.038) 16.631 7.691 ( -13.633 7.756 0.355) 15.689 7.943 ( -15.469 -4.616 0.063) 16.143 27.301 ( -0.021 52.758 0.115) 52.758 28.032 ( 7.505 12.139 0.186) 14.272 28.493 ( 8.080 -8.447 -0.197) 11.691 29.541 ( -1.452 -55.131 -0.130) 55.150 96.919 ( -0.337 16.479 -0.443) 16.489 97.530 ( -0.758 -14.054 -0.032) 14.074 ======================= Grid point 577 (302/413) ======================= q-point: ( 0.38 0.42 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 2.194 1.556 -0.197) 2.697 1.960 ( 3.936 -0.489 0.913) 4.070 2.304 ( 0.761 4.235 0.479) 4.329 2.495 ( -1.051 -5.409 -0.725) 5.558 2.892 ( 2.215 3.522 0.151) 4.163 2.985 ( -1.121 -0.176 0.914) 1.457 4.188 ( -3.147 -0.880 1.516) 3.602 4.289 ( 1.482 -6.204 0.814) 6.430 4.715 ( 6.816 1.008 1.403) 7.032 5.054 ( 8.379 -15.251 0.801) 17.419 7.442 ( -12.269 6.746 -1.559) 14.088 7.672 ( -12.768 -4.712 -1.088) 13.653 27.307 ( 0.467 53.257 0.344) 53.260 28.156 ( 5.397 13.356 0.202) 14.407 28.620 ( 5.563 -8.650 -0.307) 10.289 29.520 ( -0.745 -54.512 0.374) 54.518 96.914 ( 0.046 16.670 -0.251) 16.672 97.519 ( -0.451 -13.400 -0.002) 13.407 ======================= Grid point 578 (303/413) ======================= q-point: (-0.54 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 1.466 1.925 0.408) 2.454 2.004 ( 0.095 -0.614 0.007) 0.621 2.317 ( -0.043 4.140 1.010) 4.262 2.470 ( -0.120 -3.080 -1.684) 3.513 2.937 ( 1.902 2.035 -1.281) 3.066 2.989 ( 0.791 -0.274 2.798) 2.921 4.178 ( 1.218 0.803 1.543) 2.124 4.346 ( 3.206 -6.662 1.452) 7.535 4.821 ( 3.386 -0.344 1.300) 3.643 5.187 ( 5.280 -17.650 0.200) 18.424 7.232 ( -8.483 6.630 -1.828) 10.921 7.472 ( -7.633 -5.428 -0.812) 9.401 27.322 ( 0.819 53.531 0.231) 53.537 28.226 ( 1.740 14.120 0.338) 14.231 28.688 ( 2.004 -8.786 -0.467) 9.024 29.521 ( 0.592 -54.108 0.450) 54.114 96.917 ( 0.468 16.689 -0.262) 16.698 97.514 ( -0.120 -12.887 -0.014) 12.887 ======================= Grid point 579 (304/413) ======================= q-point: (-0.46 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( -2.802 1.687 -0.482) 3.306 1.986 ( 0.913 1.215 0.975) 1.806 2.312 ( -1.510 4.284 1.307) 4.727 2.468 ( 1.370 -2.672 -2.536) 3.930 2.947 ( 0.671 3.311 -0.907) 3.498 3.039 ( 1.769 -1.355 1.867) 2.907 4.256 ( 6.079 2.446 0.461) 6.568 4.408 ( 2.594 -3.594 -0.399) 4.450 4.859 ( -0.127 -2.215 0.931) 2.406 5.245 ( 1.328 -20.166 -1.632) 20.275 7.121 ( -2.339 7.205 0.266) 7.580 7.392 ( -0.849 -6.424 1.140) 6.579 27.340 ( 1.068 53.472 -0.176) 53.483 28.222 ( -2.466 14.009 0.525) 14.234 28.686 ( -1.866 -8.772 -0.534) 8.984 29.548 ( 2.005 -53.763 -0.006) 53.801 96.928 ( 0.966 16.507 -0.462) 16.542 97.514 ( 0.211 -12.572 -0.030) 12.574 ======================= Grid point 580 (305/413) ======================= q-point: (-0.38 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( -4.112 5.044 -0.833) 6.561 2.016 ( 1.103 0.236 1.412) 1.807 2.282 ( -2.349 4.714 0.645) 5.306 2.475 ( 1.420 -3.840 -3.154) 5.168 2.957 ( 0.930 4.604 -0.612) 4.737 3.067 ( -0.099 -0.639 1.568) 1.696 4.372 ( 4.367 4.215 -3.236) 6.879 4.442 ( 4.420 0.617 -1.984) 4.884 4.832 ( -2.947 -3.767 -0.181) 4.786 5.210 ( -2.807 -22.122 -4.222) 22.695 7.162 ( 5.094 7.845 4.134) 10.226 7.460 ( 6.076 -7.000 4.155) 10.158 27.358 ( 1.277 53.057 -0.790) 53.079 28.147 ( -5.921 13.152 0.646) 14.437 28.614 ( -5.378 -8.489 -0.451) 10.059 29.591 ( 2.810 -53.748 -0.852) 53.829 96.946 ( 1.547 16.092 -0.887) 16.190 97.521 ( 0.559 -12.487 -0.026) 12.500 ======================= Grid point 581 (306/413) ======================= q-point: (-0.31 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( -3.827 8.392 -1.170) 9.297 2.042 ( 0.803 -1.630 0.487) 1.881 2.237 ( -2.625 5.526 -0.211) 6.121 2.470 ( 0.327 -4.896 -3.428) 5.986 2.974 ( 1.380 5.494 -0.225) 5.669 3.063 ( -1.443 1.214 2.148) 2.858 4.337 ( -2.762 7.596 -4.544) 9.272 4.559 ( 7.613 1.153 -3.790) 8.582 4.749 ( -4.738 -3.258 -2.853) 6.419 5.088 ( -5.578 -22.553 -6.994) 24.262 7.360 ( 11.029 8.262 7.513) 15.696 7.667 ( 11.414 -6.812 7.191) 15.113 27.376 ( 1.512 52.378 -1.512) 52.421 28.021 ( -7.833 12.027 0.660) 14.368 28.486 ( -7.960 -8.020 -0.298) 11.304 29.635 ( 2.859 -54.337 -1.795) 54.442 96.971 ( 2.082 15.462 -1.573) 15.680 97.535 ( 0.916 -12.673 -0.006) 12.706 ======================= Grid point 582 (307/413) ======================= q-point: (-0.23 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -2.516 10.516 -1.681) 10.943 2.051 ( 0.766 -3.886 -2.098) 4.482 2.177 ( -3.750 6.563 -0.323) 7.566 2.430 ( -2.070 -5.146 -3.546) 6.583 3.007 ( 2.187 5.860 0.172) 6.257 3.056 ( -1.029 3.259 3.049) 4.580 4.235 ( -4.912 8.990 -2.887) 10.643 4.598 ( -3.947 0.357 -3.492) 5.282 4.660 ( 1.326 -1.225 -5.211) 5.514 4.927 ( -3.691 -20.393 -10.788) 23.364 7.647 ( 12.592 9.237 8.744) 17.898 7.968 ( 13.945 -6.555 9.271) 17.983 27.393 ( 1.771 51.729 -2.255) 51.809 27.876 ( -8.002 10.935 0.609) 13.564 28.324 ( -9.063 -7.644 -0.106) 11.857 29.668 ( 2.383 -55.408 -2.594) 55.520 96.998 ( 2.288 14.756 -2.442) 15.130 97.555 ( 1.186 -13.186 -0.030) 13.239 ======================= Grid point 583 (308/413) ======================= q-point: (-0.15 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -0.823 10.998 -2.417) 11.291 2.043 ( 1.435 -5.814 -5.475) 8.114 2.095 ( -5.025 7.495 0.742) 9.054 2.342 ( -4.369 -4.419 -3.580) 7.172 3.049 ( 1.887 5.176 -0.031) 5.509 3.079 ( 0.861 5.020 3.999) 6.476 4.120 ( -5.676 8.594 -1.237) 10.373 4.469 ( -5.684 -1.693 -3.544) 6.909 4.607 ( -3.952 -0.987 -3.455) 5.341 4.841 ( 3.866 -13.296 -13.609) 19.415 7.924 ( 9.990 11.139 8.693) 17.304 8.289 ( 12.471 -6.870 9.498) 17.115 27.408 ( 1.869 51.691 -2.937) 51.808 27.743 ( -6.535 9.971 0.558) 11.935 28.160 ( -8.188 -7.828 0.168) 11.329 29.685 ( 1.644 -56.610 -3.110) 56.719 97.018 ( 1.928 14.237 -3.207) 14.720 97.576 ( 1.171 -13.997 -0.183) 14.047 ======================= Grid point 584 (309/413) ======================= q-point: (-0.08 0.42 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.254 10.001 -3.060) 10.462 2.014 ( -2.557 3.928 -0.809) 4.757 2.027 ( 0.381 -3.272 -5.479) 6.393 2.234 ( -4.150 -2.697 -2.659) 5.619 3.078 ( 1.229 4.913 0.249) 5.070 3.129 ( 1.170 4.727 3.349) 5.911 4.020 ( -3.769 8.432 -1.007) 9.291 4.348 ( -4.866 -5.613 -1.941) 7.678 4.522 ( -1.674 3.582 -3.806) 5.488 4.827 ( 3.768 -9.571 -12.062) 15.853 8.129 ( 5.120 12.991 8.394) 16.293 8.540 ( 7.077 -7.287 8.223) 13.069 27.416 ( 1.285 52.682 -3.396) 52.807 27.650 ( -3.733 9.143 0.568) 9.892 28.037 ( -4.950 -8.824 0.463) 10.128 29.684 ( 0.815 -57.570 -3.269) 57.668 97.021 ( 1.084 14.133 -3.505) 14.601 97.592 ( 0.728 -14.866 -0.430) 14.890 ======================= Grid point 585 (310/413) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( 0.172 -8.002 -7.062) 10.674 1.816 ( 0.172 8.002 -7.062) 10.674 2.121 ( 0.051 -4.640 0.779) 4.705 2.121 ( 0.051 4.640 0.779) 4.705 3.169 ( -0.076 -2.308 -0.110) 2.312 3.169 ( -0.076 2.308 -0.110) 2.312 4.144 ( 0.104 -7.565 -1.139) 7.651 4.144 ( 0.104 7.565 -1.139) 7.651 4.621 ( 0.309 -8.446 -6.109) 10.428 4.621 ( 0.309 8.446 -6.109) 10.428 8.477 ( -0.417 -10.848 7.519) 13.206 8.477 ( -0.417 10.848 7.519) 13.206 27.801 ( -0.103 -9.463 0.570) 9.481 27.801 ( -0.103 9.463 0.570) 9.481 28.513 ( 0.046 -57.369 -3.287) 57.463 28.513 ( 0.046 57.369 -3.287) 57.463 97.297 ( 0.081 -14.656 -1.827) 14.769 97.297 ( 0.081 14.656 -1.827) 14.769 ======================= Grid point 587 (311/413) ======================= q-point: ( 0.08 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 0.422 -6.211 -4.901) 7.923 1.776 ( 0.422 6.211 -4.901) 7.923 2.161 ( 3.465 -3.980 0.387) 5.291 2.161 ( 3.465 3.980 0.387) 5.291 3.147 ( -1.795 -2.308 -1.091) 3.121 3.147 ( -1.795 2.308 -1.091) 3.121 4.183 ( 4.660 -6.601 -0.671) 8.108 4.183 ( 4.660 6.601 -0.671) 8.108 4.565 ( -2.001 -7.534 -4.944) 9.231 4.565 ( -2.001 7.534 -4.944) 9.231 8.458 ( -6.855 -10.292 6.233) 13.848 8.458 ( -6.855 10.292 6.233) 13.848 27.837 ( 3.466 -8.906 0.553) 9.573 27.837 ( 3.466 8.906 0.553) 9.573 28.493 ( 0.170 -56.503 -2.720) 56.569 28.493 ( 0.170 56.503 -2.720) 56.569 97.281 ( -0.397 -15.035 -1.462) 15.111 97.281 ( -0.397 15.035 -1.462) 15.111 ======================= Grid point 589 (312/413) ======================= q-point: ( 0.15 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 1.810 -4.181 -2.547) 5.219 1.769 ( 1.810 4.181 -2.547) 5.219 2.243 ( 4.697 -3.476 0.399) 5.857 2.243 ( 4.697 3.476 0.399) 5.857 3.090 ( -3.051 -1.840 -1.847) 4.014 3.090 ( -3.051 1.840 -1.847) 4.014 4.295 ( 6.951 -5.346 0.352) 8.776 4.295 ( 6.951 5.346 0.352) 8.776 4.480 ( -3.182 -6.918 -4.175) 8.684 4.480 ( -3.182 6.918 -4.175) 8.684 8.322 ( -11.762 -9.049 4.569) 15.527 8.322 ( -11.762 9.049 4.569) 15.527 27.933 ( 6.201 -7.133 0.541) 9.467 27.933 ( 6.201 7.133 0.541) 9.467 28.481 ( 0.342 -53.870 -1.949) 53.906 28.481 ( 0.342 53.870 -1.949) 53.906 97.263 ( -0.580 -15.298 -0.975) 15.340 97.263 ( -0.580 15.298 -0.975) 15.340 ======================= Grid point 591 (313/413) ======================= q-point: ( 0.23 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 3.326 -2.271 -0.754) 4.097 1.805 ( 3.326 2.271 -0.754) 4.097 2.327 ( 3.696 -4.056 0.627) 5.523 2.327 ( 3.696 4.056 0.627) 5.523 3.018 ( -2.967 -1.977 -1.799) 3.994 3.018 ( -2.967 1.977 -1.799) 3.994 4.340 ( -4.229 -1.607 -0.490) 4.550 4.340 ( -4.229 1.607 -0.490) 4.550 4.490 ( 8.414 -8.554 -1.166) 12.055 4.490 ( 8.414 8.554 -1.166) 12.055 8.100 ( -14.503 -7.595 2.431) 16.551 8.100 ( -14.503 7.595 2.431) 16.551 28.067 ( 7.545 -3.578 0.504) 8.366 28.067 ( 7.545 3.578 0.504) 8.366 28.477 ( 0.446 -48.672 -1.122) 48.687 28.477 ( 0.446 48.672 -1.122) 48.687 97.247 ( -0.499 -15.412 -0.542) 15.429 97.247 ( -0.499 15.412 -0.542) 15.429 ======================= Grid point 593 (314/413) ======================= q-point: ( 0.31 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 4.054 -0.505 0.222) 4.092 1.875 ( 4.054 0.505 0.222) 4.092 2.379 ( 1.396 -5.125 0.436) 5.329 2.379 ( 1.396 5.125 0.436) 5.329 2.966 ( -1.406 -3.004 -0.710) 3.391 2.966 ( -1.406 3.004 -0.710) 3.391 4.250 ( -4.184 -1.214 0.026) 4.356 4.250 ( -4.184 1.214 0.026) 4.356 4.658 ( 8.865 -8.234 0.629) 12.116 4.658 ( 8.865 8.234 0.629) 12.116 7.833 ( -14.845 -6.381 0.148) 16.159 7.833 ( -14.845 6.381 0.148) 16.159 28.210 ( 7.359 -6.359 0.335) 9.731 28.210 ( 7.359 6.359 0.335) 9.731 28.480 ( 0.345 -39.110 -0.317) 39.113 28.480 ( 0.345 39.110 -0.317) 39.113 97.237 ( -0.272 -15.390 -0.262) 15.395 97.237 ( -0.272 15.390 -0.262) 15.395 ======================= Grid point 595 (315/413) ======================= q-point: ( 0.38 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 3.087 -0.989 0.387) 3.265 1.946 ( 3.087 0.989 0.387) 3.265 2.393 ( 0.266 -4.760 0.030) 4.768 2.393 ( 0.266 4.760 0.030) 4.768 2.955 ( 0.140 -2.560 0.513) 2.614 2.955 ( 0.140 2.560 0.513) 2.614 4.203 ( -1.171 -2.491 1.373) 3.075 4.203 ( -1.171 2.491 1.373) 3.075 4.811 ( 6.748 -8.703 1.011) 11.059 4.811 ( 6.748 8.703 1.011) 11.059 7.568 ( -12.723 -5.795 -1.485) 14.059 7.568 ( -12.723 5.795 -1.485) 14.059 28.335 ( 5.685 -23.473 -0.236) 24.153 28.335 ( 5.685 23.473 -0.236) 24.153 28.485 ( 0.127 -21.458 0.592) 21.466 28.485 ( 0.127 21.458 0.592) 21.466 97.233 ( -0.002 -15.271 -0.142) 15.272 97.233 ( -0.002 15.271 -0.142) 15.272 ======================= Grid point 597 (316/413) ======================= q-point: (-0.54 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.986 ( 0.954 -1.201 0.216) 1.549 1.986 ( 0.954 1.201 0.216) 1.549 2.399 ( 0.458 -3.943 -0.267) 3.978 2.399 ( 0.458 3.943 -0.267) 3.978 2.972 ( 1.035 -1.400 0.886) 1.953 2.972 ( 1.035 1.400 0.886) 1.953 4.231 ( 2.861 -4.435 1.917) 5.615 4.231 ( 2.861 4.435 1.917) 5.615 4.913 ( 3.348 -9.454 0.455) 10.040 4.913 ( 3.348 9.454 0.455) 10.040 7.358 ( -8.180 -6.003 -1.505) 10.257 7.358 ( -8.180 6.003 -1.505) 10.257 28.401 ( 1.453 -46.614 -1.104) 46.650 28.401 ( 1.453 46.614 -1.104) 46.650 28.502 ( 1.320 -15.596 1.428) 15.717 28.502 ( 1.320 15.596 1.428) 15.717 97.235 ( 0.274 -15.083 -0.155) 15.087 97.235 ( 0.274 15.083 -0.155) 15.087 ======================= Grid point 599 (317/413) ======================= q-point: (-0.46 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( -0.340 -0.604 0.188) 0.718 1.991 ( -0.340 0.604 0.188) 0.718 2.400 ( -0.058 -4.164 -0.765) 4.234 2.400 ( -0.058 4.164 -0.765) 4.234 3.002 ( 1.480 -2.276 0.701) 2.804 3.002 ( 1.480 2.276 0.701) 2.804 4.327 ( 6.152 -4.300 0.383) 7.516 4.327 ( 6.152 4.300 0.383) 7.516 4.936 ( -0.806 -10.132 -0.658) 10.185 4.936 ( -0.806 10.132 -0.658) 10.185 7.260 ( -1.611 -6.767 0.585) 6.981 7.260 ( -1.611 6.767 0.585) 6.981 28.379 ( -2.707 -33.534 -0.586) 33.648 28.379 ( -2.707 33.534 -0.586) 33.648 28.545 ( 1.955 -20.629 0.521) 20.728 28.545 ( 1.955 20.629 0.521) 20.728 97.241 ( 0.572 -14.831 -0.276) 14.845 97.241 ( 0.572 14.831 -0.276) 14.845 ======================= Grid point 601 (318/413) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -0.841 -3.380 -0.109) 3.485 1.980 ( -0.841 3.380 -0.109) 3.485 2.386 ( -0.559 -5.122 -1.324) 5.320 2.386 ( -0.559 5.122 -1.324) 5.320 3.032 ( 1.085 -2.856 0.686) 3.131 3.032 ( 1.085 2.856 0.686) 3.131 4.445 ( 7.311 -1.658 -3.583) 8.309 4.445 ( 7.311 1.658 -3.583) 8.309 4.875 ( -4.859 -9.888 -1.332) 11.097 4.875 ( -4.859 9.888 -1.332) 11.097 7.315 ( 5.697 -7.516 4.109) 10.287 7.315 ( 5.697 7.516 4.109) 10.287 28.300 ( -5.351 -17.311 -0.034) 18.119 28.300 ( -5.351 17.311 -0.034) 18.119 28.575 ( 1.333 -32.734 -0.692) 32.769 28.575 ( 1.333 32.734 -0.692) 32.769 97.252 ( 0.910 -14.519 -0.504) 14.556 97.252 ( 0.910 14.519 -0.504) 14.556 ======================= Grid point 603 (319/413) ======================= q-point: (-0.31 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -1.032 -6.085 -1.254) 6.298 1.958 ( -1.032 6.085 -1.254) 6.298 2.361 ( -1.128 -6.048 -1.637) 6.367 2.361 ( -1.128 6.048 -1.637) 6.367 3.054 ( 0.700 -2.277 1.117) 2.631 3.054 ( 0.700 2.277 1.117) 2.631 4.527 ( 5.652 -7.619 -8.619) 12.817 4.527 ( 5.652 7.619 -8.619) 12.817 4.750 ( -7.062 -7.594 -0.691) 10.393 4.750 ( -7.062 7.594 -0.691) 10.393 7.521 ( 11.469 -7.806 7.401) 15.724 7.521 ( 11.469 7.806 7.401) 15.724 28.184 ( -7.086 -7.557 0.312) 10.364 28.184 ( -7.086 7.557 0.312) 10.364 28.585 ( 0.767 -43.190 -1.823) 43.235 28.585 ( 0.767 43.190 -1.823) 43.235 97.267 ( 1.230 -14.193 -0.846) 14.271 97.267 ( 1.230 14.193 -0.846) 14.271 ======================= Grid point 605 (320/413) ======================= q-point: (-0.23 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -0.580 -7.919 -3.163) 8.547 1.926 ( -0.580 7.919 -3.163) 8.547 2.314 ( -2.804 -6.449 -1.541) 7.199 2.314 ( -2.804 6.449 -1.541) 7.199 3.080 ( 1.148 -1.206 1.517) 2.253 3.080 ( 1.148 1.206 1.517) 2.253 4.488 ( -4.128 -14.418 -7.513) 16.774 4.488 ( -4.128 14.418 -7.513) 16.774 4.658 ( -0.020 -3.056 -3.885) 4.943 4.658 ( -0.020 3.056 -3.885) 4.943 7.821 ( 13.611 -8.161 9.164) 18.326 7.821 ( 13.611 8.161 9.164) 18.326 28.050 ( -7.500 -5.809 0.498) 9.500 28.050 ( -7.500 5.809 0.498) 9.500 28.578 ( 0.381 -50.233 -2.742) 50.309 28.578 ( 0.381 50.233 -2.742) 50.309 97.284 ( 1.383 -13.972 -1.274) 14.098 97.284 ( 1.383 13.972 -1.274) 14.098 ======================= Grid point 607 (321/413) ======================= q-point: (-0.15 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.373 -8.778 -5.377) 10.301 1.893 ( 0.373 8.778 -5.377) 10.301 2.235 ( -4.462 -6.226 -0.851) 7.707 2.235 ( -4.462 6.226 -0.851) 7.707 3.117 ( 1.667 -1.177 1.365) 2.455 3.117 ( 1.667 1.177 1.365) 2.455 4.329 ( -7.269 -10.984 -3.356) 13.592 4.329 ( -7.269 10.984 -3.356) 13.592 4.651 ( 2.865 -5.510 -7.544) 9.771 4.651 ( 2.865 5.510 -7.544) 9.771 8.129 ( 11.564 -9.231 9.345) 17.500 8.129 ( 11.564 9.231 9.345) 17.500 27.923 ( -6.311 -7.784 0.572) 10.037 27.923 ( -6.311 7.784 0.572) 10.037 28.561 ( 0.143 -54.503 -3.330) 54.605 28.561 ( 0.143 54.503 -3.330) 54.605 97.298 ( 1.210 -13.988 -1.683) 14.140 97.298 ( 1.210 13.988 -1.683) 14.140 ======================= Grid point 609 (322/413) ======================= q-point: (-0.08 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 0.818 -8.872 -7.226) 11.471 1.860 ( 0.818 8.872 -7.226) 11.471 2.152 ( -3.703 -5.435 0.346) 6.586 2.152 ( -3.703 5.435 0.346) 6.586 3.154 ( 1.272 -1.898 0.747) 2.404 3.154 ( 1.272 1.898 0.747) 2.404 4.197 ( -4.577 -8.828 -1.757) 10.098 4.197 ( -4.577 8.828 -1.757) 10.098 4.645 ( 2.156 -8.167 -7.333) 11.186 4.645 ( 2.156 8.167 -7.333) 11.186 8.363 ( 6.307 -10.417 8.604) 14.910 8.363 ( 6.307 10.417 8.604) 14.910 27.833 ( -3.651 -9.104 0.584) 9.826 27.833 ( -3.651 9.104 0.584) 9.826 28.537 ( 0.032 -56.736 -3.514) 56.844 28.537 ( 0.032 56.736 -3.514) 56.844 97.303 ( 0.707 -14.256 -1.908) 14.401 97.303 ( 0.707 14.256 -1.908) 14.401 ======================= Grid point 676 (323/413) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -2.228 0.000 12.249) 12.450 1.515 ( 0.049 0.000 9.194) 9.194 1.548 ( 1.990 0.000 -10.469) 10.656 2.026 ( -0.032 0.000 -6.564) 6.564 2.509 ( 0.072 0.000 17.818) 17.819 2.891 ( 0.242 0.000 -10.981) 10.984 3.474 ( 0.057 0.000 -0.570) 0.572 4.143 ( -0.042 0.000 0.458) 0.460 4.500 ( -0.215 0.000 -0.179) 0.279 6.230 ( -0.079 0.000 -2.075) 2.077 7.420 ( -0.369 0.000 3.303) 3.324 7.938 ( 0.111 0.000 -2.720) 2.722 24.278 ( 0.050 0.000 0.403) 0.406 27.159 ( 0.022 0.000 0.245) 0.246 28.580 ( -0.023 0.000 0.301) 0.302 33.279 ( 0.077 0.000 -0.943) 0.946 95.669 ( -0.011 0.000 0.035) 0.037 98.893 ( -0.023 0.000 -0.462) 0.463 ======================= Grid point 677 (324/413) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 9.070 0.000 7.352) 11.676 1.603 ( 4.570 0.000 2.794) 5.356 1.656 ( 15.224 0.000 -6.268) 16.463 1.999 ( 0.777 0.000 -2.425) 2.547 2.617 ( 0.066 0.000 12.107) 12.107 2.737 ( -6.614 0.000 -10.431) 12.352 3.599 ( 11.933 0.000 -0.353) 11.939 4.153 ( 0.886 0.000 0.207) 0.910 4.626 ( 13.245 0.000 0.310) 13.249 6.178 ( -4.335 0.000 -0.643) 4.382 7.422 ( -1.396 0.000 1.636) 2.150 7.911 ( -1.399 0.000 -0.968) 1.701 24.276 ( -0.381 0.000 0.033) 0.382 27.161 ( 0.060 0.000 0.033) 0.068 28.611 ( 3.117 0.000 0.069) 3.118 33.240 ( -3.613 0.000 -0.411) 3.636 95.669 ( -0.046 0.000 0.030) 0.055 98.839 ( -5.362 0.000 0.000) 5.362 ======================= Grid point 678 (325/413) ======================= q-point: ( 0.15 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 11.880 0.000 -0.056) 11.880 1.707 ( 6.703 0.000 -3.832) 7.721 1.934 ( 14.348 0.000 -1.186) 14.397 2.023 ( 1.478 0.000 3.093) 3.428 2.551 ( -6.388 0.000 -3.859) 7.463 2.720 ( 6.239 0.000 2.281) 6.643 3.865 ( 15.596 0.000 1.446) 15.663 4.179 ( 1.806 0.000 -0.046) 1.806 4.945 ( 20.369 0.000 -3.258) 20.628 6.080 ( -6.400 0.000 3.457) 7.273 7.391 ( -2.483 0.000 -0.107) 2.485 7.877 ( -2.034 0.000 0.528) 2.101 24.265 ( -0.735 0.000 -0.310) 0.798 27.162 ( 0.060 0.000 -0.163) 0.173 28.690 ( 4.988 0.000 0.193) 4.991 33.144 ( -6.351 0.000 0.009) 6.351 95.668 ( -0.018 0.000 0.027) 0.033 98.706 ( -8.610 0.000 -0.101) 8.610 ======================= Grid point 679 (326/413) ======================= q-point: ( 0.23 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 6.823 0.000 -7.189) 9.912 1.849 ( 8.712 0.000 -3.986) 9.581 2.088 ( 1.768 0.000 5.675) 5.944 2.109 ( 6.541 0.000 -2.291) 6.930 2.469 ( -2.300 0.000 3.366) 4.077 2.895 ( 12.108 0.000 -2.840) 12.437 4.180 ( 15.502 0.000 4.358) 16.103 4.219 ( 2.570 0.000 -0.258) 2.583 5.261 ( 18.402 0.000 -12.777) 22.403 6.041 ( -2.602 0.000 12.402) 12.672 7.331 ( -3.378 0.000 -1.229) 3.595 7.843 ( -2.224 0.000 0.957) 2.421 24.246 ( -0.928 0.000 -0.534) 1.071 27.161 ( 0.027 0.000 -0.302) 0.303 28.791 ( 5.313 0.000 0.664) 5.354 33.014 ( -7.548 0.000 0.211) 7.551 95.669 ( 0.064 0.000 0.037) 0.074 98.533 ( -9.265 0.000 -0.781) 9.298 ======================= Grid point 680 (327/413) ======================= q-point: ( 0.31 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 5.752 0.000 -6.521) 8.695 1.920 ( 4.156 0.000 -6.919) 8.071 2.156 ( 1.178 0.000 4.945) 5.084 2.200 ( 4.898 0.000 -0.748) 4.954 2.483 ( -1.099 0.000 6.565) 6.657 3.090 ( 11.516 0.000 -5.718) 12.857 4.267 ( 2.823 0.000 -0.426) 2.855 4.474 ( 11.233 0.000 6.184) 12.822 5.442 ( 13.605 0.000 -15.515) 20.635 6.164 ( 3.468 0.000 15.418) 15.803 7.253 ( -3.730 0.000 -1.707) 4.102 7.808 ( -2.233 0.000 0.666) 2.330 24.224 ( -0.917 0.000 -0.589) 1.090 27.158 ( -0.021 0.000 -0.358) 0.359 28.888 ( 4.403 0.000 0.948) 4.504 32.878 ( -6.971 0.000 0.251) 6.975 95.671 ( 0.133 0.000 0.055) 0.144 98.364 ( -7.794 0.000 -1.243) 7.892 ======================= Grid point 681 (328/413) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 3.903 0.000 -4.645) 6.067 1.937 ( 2.362 0.000 -4.446) 5.034 2.200 ( 0.468 0.000 3.104) 3.139 2.273 ( 3.398 0.000 -0.503) 3.435 2.499 ( -1.840 0.000 4.800) 5.141 3.231 ( 7.748 0.000 -5.058) 9.253 4.312 ( 2.216 0.000 -0.460) 2.264 4.667 ( 5.305 0.000 4.954) 7.258 5.583 ( 10.903 0.000 -8.833) 14.032 6.332 ( 3.630 0.000 10.244) 10.868 7.178 ( -2.601 0.000 -1.813) 3.170 7.772 ( -1.883 0.000 0.403) 1.926 24.205 ( -0.707 0.000 -0.478) 0.853 27.155 ( -0.064 0.000 -0.312) 0.318 28.963 ( 2.892 0.000 0.781) 2.995 32.768 ( -4.803 0.000 0.174) 4.806 95.674 ( 0.136 0.000 0.061) 0.149 98.234 ( -5.181 0.000 -1.068) 5.290 ======================= Grid point 682 (329/413) ======================= q-point: ( 0.46 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -1.242 0.000 -0.208) 1.259 1.938 ( 0.114 0.000 -1.128) 1.133 2.224 ( 0.730 0.000 1.014) 1.250 2.320 ( 2.661 0.000 -2.069) 3.371 2.496 ( -0.249 0.000 1.457) 1.478 3.297 ( 1.787 0.000 -1.948) 2.644 4.338 ( 0.744 0.000 -0.258) 0.788 4.756 ( 1.746 0.000 2.643) 3.168 5.685 ( 3.620 0.000 -2.909) 4.644 6.432 ( 1.280 0.000 5.210) 5.365 7.141 ( 0.276 0.000 -2.294) 2.311 7.748 ( -0.992 0.000 0.483) 1.103 24.192 ( -0.350 0.000 -0.241) 0.425 27.152 ( -0.093 0.000 -0.164) 0.189 29.005 ( 1.258 0.000 0.260) 1.285 32.708 ( -1.565 0.000 -0.023) 1.565 95.676 ( 0.067 0.000 0.039) 0.078 98.160 ( -2.198 0.000 -0.348) 2.225 ======================= Grid point 683 (330/413) ======================= q-point: (-0.46 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -7.025 0.000 5.235) 8.761 1.911 ( -3.525 0.000 1.482) 3.823 2.246 ( 1.518 0.000 -0.958) 1.795 2.337 ( 0.988 0.000 -3.095) 3.249 2.531 ( 4.313 0.000 -2.049) 4.775 3.260 ( -5.727 0.000 1.566) 5.937 4.334 ( -1.078 0.000 0.091) 1.082 4.779 ( -0.369 0.000 0.483) 0.608 5.647 ( -7.087 0.000 0.613) 7.113 6.468 ( 0.010 0.000 2.131) 2.131 7.151 ( 2.775 0.000 -3.478) 4.449 7.746 ( 0.375 0.000 0.726) 0.818 24.189 ( 0.070 0.000 0.064) 0.095 27.150 ( -0.104 0.000 0.049) 0.115 29.013 ( -0.355 0.000 -0.463) 0.583 32.712 ( 2.023 0.000 -0.307) 2.046 95.677 ( -0.038 0.000 -0.002) 0.038 98.149 ( 0.839 0.000 0.713) 1.101 ======================= Grid point 684 (331/413) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -8.670 0.000 9.368) 12.764 1.832 ( -6.981 0.000 4.356) 8.229 2.262 ( 1.420 0.000 -2.628) 2.987 2.309 ( -1.593 0.000 -3.260) 3.628 2.606 ( 5.861 0.000 -5.366) 7.946 3.117 ( -11.794 0.000 5.510) 13.018 4.302 ( -2.433 0.000 0.428) 2.471 4.746 ( -2.875 0.000 -2.190) 3.615 5.441 ( -16.293 0.000 4.410) 16.879 6.466 ( -0.611 0.000 -1.627) 1.738 7.186 ( 3.665 0.000 -3.463) 5.042 7.772 ( 1.784 0.000 0.670) 1.906 24.195 ( 0.460 0.000 0.380) 0.597 27.149 ( -0.095 0.000 0.268) 0.285 28.985 ( -2.032 0.000 -1.280) 2.401 32.777 ( 5.206 0.000 -0.593) 5.240 95.675 ( -0.128 0.000 -0.037) 0.134 98.202 ( 3.899 0.000 1.930) 4.350 ======================= Grid point 685 (332/413) ======================= q-point: (-0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -7.632 0.000 11.925) 14.158 1.725 ( -8.954 0.000 8.075) 12.057 2.222 ( -5.569 0.000 -2.525) 6.115 2.257 ( 0.570 0.000 -4.307) 4.345 2.637 ( 1.462 0.000 -7.638) 7.777 2.939 ( -11.312 0.000 8.095) 13.910 4.255 ( -2.940 0.000 0.664) 3.014 4.611 ( -9.526 0.000 -6.413) 11.484 5.163 ( -17.487 0.000 10.917) 20.615 6.413 ( -1.702 0.000 -7.311) 7.507 7.235 ( 3.311 0.000 -1.178) 3.514 7.819 ( 2.926 0.000 -0.088) 2.927 24.211 ( 0.735 0.000 0.651) 0.982 27.150 ( -0.078 0.000 0.435) 0.442 28.919 ( -3.833 0.000 -1.956) 4.303 32.890 ( 7.340 0.000 -0.823) 7.386 95.672 ( -0.157 0.000 -0.042) 0.163 98.321 ( 6.933 0.000 2.920) 7.523 ======================= Grid point 686 (333/413) ======================= q-point: (-0.23 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -9.446 0.000 9.875) 13.665 1.659 ( -8.118 0.000 13.393) 15.661 2.075 ( -8.666 0.000 1.179) 8.746 2.222 ( -0.269 0.000 -6.181) 6.187 2.532 ( -8.710 0.000 -0.949) 8.761 2.844 ( -2.507 0.000 0.186) 2.513 4.207 ( -2.687 0.000 0.776) 2.796 4.295 ( -17.976 0.000 -6.270) 19.038 4.981 ( -12.525 0.000 12.667) 17.814 6.309 ( -1.610 0.000 -11.105) 11.221 7.290 ( 2.359 0.000 1.697) 2.906 7.873 ( 3.458 0.000 -1.532) 3.782 24.231 ( 0.835 0.000 0.823) 1.172 27.152 ( -0.069 0.000 0.512) 0.516 28.817 ( -5.378 0.000 -1.975) 5.729 33.028 ( 7.946 0.000 -1.038) 8.014 95.669 ( -0.105 0.000 -0.012) 0.106 98.495 ( 9.320 0.000 2.924) 9.768 ======================= Grid point 687 (334/413) ======================= q-point: (-0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -8.634 0.000 11.951) 14.744 1.543 ( -13.361 0.000 10.176) 16.795 1.944 ( -8.225 0.000 1.154) 8.305 2.160 ( -0.870 0.000 -7.653) 7.702 2.360 ( -10.246 0.000 9.915) 14.258 2.834 ( 3.847 0.000 -6.542) 7.589 3.919 ( -17.784 0.000 -3.147) 18.061 4.170 ( -1.913 0.000 0.763) 2.059 4.823 ( -13.013 0.000 6.988) 14.770 6.227 ( 1.223 0.000 -8.844) 8.928 7.345 ( 1.414 0.000 3.567) 3.837 7.919 ( 3.108 0.000 -3.012) 4.328 24.252 ( 0.735 0.000 0.846) 1.120 27.154 ( -0.063 0.000 0.500) 0.504 28.701 ( -5.547 0.000 -1.033) 5.643 33.159 ( 6.743 0.000 -1.258) 6.860 95.668 ( -0.016 0.000 0.023) 0.028 98.691 ( 9.383 0.000 1.492) 9.501 ======================= Grid point 688 (335/413) ======================= q-point: (-0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -12.985 0.000 11.087) 17.074 1.481 ( -4.808 0.000 12.133) 13.051 1.717 ( -11.076 0.000 -7.878) 13.592 2.088 ( -0.683 0.000 -8.049) 8.078 2.374 ( -1.359 0.000 19.506) 19.553 2.882 ( 6.751 0.000 -9.334) 11.519 3.614 ( -12.656 0.000 -1.471) 12.742 4.148 ( -0.973 0.000 0.655) 1.173 4.615 ( -11.002 0.000 1.066) 11.053 6.223 ( 2.671 0.000 -4.290) 5.053 7.391 ( 0.544 0.000 4.078) 4.114 7.942 ( 1.905 0.000 -3.565) 4.042 24.269 ( 0.453 0.000 0.698) 0.832 27.157 ( -0.032 0.000 0.412) 0.413 28.611 ( -3.466 0.000 0.062) 3.467 33.250 ( 3.867 0.000 -1.286) 4.075 95.668 ( 0.022 0.000 0.036) 0.043 98.841 ( 5.794 0.000 -0.162) 5.796 ======================= Grid point 689 (336/413) ======================= q-point: ( 0.00 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -2.106 7.173 11.776) 13.948 1.557 ( 0.009 3.195 10.757) 11.221 1.606 ( 1.951 5.601 -10.224) 11.820 2.008 ( 0.053 -1.327 -7.806) 7.918 2.576 ( -0.031 6.317 14.785) 16.078 2.926 ( 0.226 3.194 -8.511) 9.094 3.493 ( 0.045 1.917 -0.538) 1.991 4.235 ( -0.111 8.566 0.117) 8.567 4.493 ( -0.178 -0.679 -0.209) 0.733 5.868 ( 0.074 -30.488 -2.390) 30.581 7.454 ( -0.408 3.780 4.405) 5.819 8.185 ( 0.079 19.177 -3.425) 19.481 24.427 ( 0.044 14.795 0.092) 14.796 27.179 ( 0.011 1.953 0.247) 1.969 28.553 ( -0.013 -2.729 0.292) 2.744 33.098 ( 0.072 -17.945 -0.915) 17.968 95.766 ( 0.000 9.356 -0.481) 9.368 98.805 ( -0.028 -8.593 -0.242) 8.597 ======================= Grid point 690 (337/413) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 7.793 5.877 7.887) 12.549 1.642 ( 3.821 3.349 2.727) 5.766 1.695 ( 13.169 3.638 -5.933) 14.894 1.971 ( 0.610 -2.282 -3.331) 4.084 2.664 ( 0.490 4.570 8.880) 10.000 2.791 ( -6.755 5.038 -7.210) 11.091 3.618 ( 11.960 1.953 -0.272) 12.122 4.237 ( 0.320 7.740 0.215) 7.749 4.617 ( 12.923 -0.853 0.282) 12.954 5.834 ( -2.392 -29.317 -1.014) 29.432 7.459 ( -1.628 3.770 2.024) 4.578 8.137 ( -3.167 17.959 -1.133) 18.272 24.423 ( -0.461 14.596 -0.042) 14.604 27.183 ( 0.287 2.162 0.055) 2.182 28.585 ( 3.200 -2.656 0.057) 4.159 33.062 ( -3.408 -17.745 -0.397) 18.074 95.761 ( -0.256 8.971 -0.128) 8.976 98.756 ( -4.862 -8.045 0.054) 9.400 ======================= Grid point 691 (338/413) ======================= q-point: ( 0.15 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 9.459 2.684 -2.265) 10.089 1.726 ( 6.163 1.858 -2.361) 6.856 1.950 ( 13.708 1.701 -1.164) 13.862 1.990 ( 1.833 -2.371 3.852) 4.881 2.630 ( -5.203 6.996 -3.880) 9.543 2.743 ( 4.229 2.316 2.516) 5.438 3.884 ( 15.594 1.942 1.391) 15.776 4.251 ( 1.019 6.599 0.185) 6.680 4.924 ( 19.483 -2.122 -3.860) 19.975 5.784 ( -3.031 -25.774 3.874) 26.239 7.421 ( -2.947 3.126 -0.441) 4.319 8.059 ( -5.010 14.767 0.789) 15.613 24.410 ( -0.844 14.454 -0.208) 14.481 27.190 ( 0.484 2.789 -0.123) 2.833 28.665 ( 5.185 -2.419 0.134) 5.723 32.971 ( -5.998 -17.217 0.028) 18.232 95.756 ( -0.348 8.498 0.117) 8.506 98.635 ( -7.842 -6.878 -0.099) 10.431 ======================= Grid point 692 (339/413) ======================= q-point: ( 0.23 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 6.066 -2.142 -8.918) 10.996 1.871 ( 7.895 2.145 -3.367) 8.847 2.043 ( 1.258 -2.841 6.576) 7.273 2.160 ( 7.661 4.234 -0.418) 8.763 2.560 ( -1.802 7.897 1.964) 8.335 2.874 ( 9.744 -1.848 -2.659) 10.268 4.198 ( 15.402 1.802 4.216) 16.070 4.275 ( 1.435 5.038 0.014) 5.238 5.202 ( 16.161 -6.292 -14.455) 22.577 5.834 ( 2.631 -18.023 14.347) 23.186 7.346 ( -4.125 1.784 -2.072) 4.949 7.967 ( -5.545 10.265 1.278) 11.737 24.390 ( -1.029 14.387 -0.348) 14.428 27.198 ( 0.560 3.710 -0.249) 3.760 28.770 ( 5.618 -2.021 0.527) 5.994 32.848 ( -7.135 -16.483 0.255) 17.963 95.751 ( -0.290 8.011 0.219) 8.019 98.477 ( -8.482 -5.448 -0.725) 10.107 ======================= Grid point 693 (340/413) ======================= q-point: ( 0.31 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 5.898 -3.190 -7.831) 10.309 1.944 ( 3.892 2.042 -5.404) 6.966 2.120 ( 1.570 -2.633 6.527) 7.211 2.263 ( 4.356 5.490 -0.368) 7.018 2.560 ( -1.544 6.657 4.206) 8.024 3.042 ( 10.696 -4.402 -5.009) 12.604 4.300 ( 1.407 2.858 -0.385) 3.209 4.486 ( 10.629 1.116 5.963) 12.238 5.345 ( 12.767 -9.697 -14.748) 21.784 6.059 ( 7.861 -9.514 15.685) 19.958 7.242 ( -4.937 -0.443 -2.945) 5.766 7.875 ( -5.083 5.590 0.812) 7.599 24.368 ( -0.982 14.389 -0.398) 14.428 27.206 ( 0.501 4.730 -0.299) 4.765 28.873 ( 4.745 -1.529 0.776) 5.045 32.720 ( -6.593 -15.710 0.314) 17.041 95.748 ( -0.162 7.575 0.218) 7.580 98.323 ( -7.169 -4.115 -1.143) 8.345 ======================= Grid point 694 (341/413) ======================= q-point: ( 0.38 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 4.849 -2.654 -5.151) 7.555 1.958 ( 1.256 1.511 -3.536) 4.045 2.188 ( 1.552 -0.965 4.181) 4.563 2.325 ( 2.562 4.629 -0.036) 5.291 2.546 ( -2.504 4.289 2.301) 5.474 3.183 ( 7.688 -4.462 -4.130) 9.802 4.319 ( 0.938 0.490 -0.534) 1.185 4.662 ( 4.522 -0.613 4.373) 6.321 5.496 ( 11.528 -8.443 -7.556) 16.164 6.299 ( 6.870 -3.678 11.064) 13.532 7.128 ( -4.560 -4.108 -3.545) 7.087 7.796 ( -3.757 1.850 0.426) 4.209 24.350 ( -0.724 14.448 -0.334) 14.470 27.212 ( 0.318 5.611 -0.255) 5.626 28.952 ( 3.151 -1.082 0.637) 3.392 32.617 ( -4.538 -15.072 0.233) 15.742 95.748 ( -0.041 7.259 0.157) 7.261 98.203 ( -4.784 -3.124 -0.980) 5.797 ======================= Grid point 695 (342/413) ======================= q-point: ( 0.46 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 1.197 -1.379 -1.095) 2.129 1.937 ( -1.946 0.257 -0.647) 2.066 2.236 ( 0.830 1.175 2.516) 2.898 2.364 ( 2.770 3.449 -2.047) 4.874 2.514 ( -1.157 2.183 0.009) 2.471 3.256 ( 2.029 -3.822 -1.520) 4.586 4.327 ( 0.220 -1.150 -0.352) 1.223 4.736 ( 1.344 -2.027 2.229) 3.299 5.618 ( 4.192 -6.605 -2.271) 8.146 6.460 ( 3.376 2.158 6.556) 7.684 7.039 ( -1.556 -9.409 -3.970) 10.330 7.748 ( -1.706 -0.244 0.528) 1.802 24.338 ( -0.318 14.543 -0.178) 14.547 27.214 ( 0.046 6.132 -0.121) 6.134 28.997 ( 1.326 -0.853 0.188) 1.588 32.561 ( -1.460 -14.696 0.010) 14.769 95.749 ( 0.044 7.125 0.057) 7.126 98.134 ( -2.036 -2.577 -0.315) 3.299 ======================= Grid point 696 (343/413) ======================= q-point: (-0.46 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -6.947 -0.252 4.226) 8.136 1.908 ( -2.668 -0.157 1.526) 3.077 2.253 ( 0.062 0.961 0.566) 1.117 2.393 ( 1.991 4.640 -4.032) 6.461 2.528 ( 3.663 -0.022 -1.534) 3.971 3.226 ( -5.153 -3.034 1.259) 6.111 4.323 ( -0.526 -1.173 0.029) 1.286 4.754 ( -0.428 -2.549 0.560) 2.644 5.589 ( -6.814 -5.699 0.394) 8.892 6.516 ( -0.726 4.525 2.117) 5.048 7.026 ( 3.012 -12.101 -3.469) 12.944 7.744 ( 0.846 -0.397 0.911) 1.305 24.336 ( 0.152 14.651 0.022) 14.652 27.212 ( -0.247 6.153 0.072) 6.159 29.004 ( -0.527 -0.959 -0.431) 1.176 32.565 ( 1.952 -14.654 -0.314) 14.787 95.750 ( 0.120 7.218 -0.077) 7.220 98.124 ( 0.768 -2.497 0.670) 2.697 ======================= Grid point 697 (344/413) ======================= q-point: (-0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -9.037 -1.264 7.247) 11.652 1.849 ( -6.051 1.627 5.537) 8.362 2.253 ( 0.494 -0.442 -1.980) 2.087 2.370 ( -1.352 5.218 -3.761) 6.573 2.610 ( 6.256 0.261 -3.870) 7.361 3.091 ( -11.113 -2.227 4.373) 12.148 4.309 ( -1.031 0.512 0.357) 1.205 4.726 ( -2.382 -2.038 -1.464) 3.460 5.379 ( -16.404 -5.858 3.261) 17.721 6.470 ( -3.392 -0.255 -3.727) 5.046 7.088 ( 5.078 -8.543 -1.225) 10.014 7.792 ( 3.443 1.413 1.062) 3.871 24.344 ( 0.598 14.763 0.217) 14.777 27.206 ( -0.483 5.669 0.270) 5.696 28.971 ( -2.403 -1.389 -1.121) 2.994 32.627 ( 4.969 -14.958 -0.641) 15.774 95.752 ( 0.236 7.562 -0.251) 7.570 98.173 ( 3.587 -2.898 1.800) 4.950 ======================= Grid point 698 (345/413) ======================= q-point: (-0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -9.219 -3.170 9.623) 13.698 1.776 ( -7.357 3.580 9.412) 12.471 2.240 ( 0.405 -1.190 -4.201) 4.385 2.287 ( -5.032 5.484 -2.953) 8.007 2.670 ( 2.922 2.962 -6.047) 7.340 2.910 ( -11.443 -2.471 7.116) 13.700 4.290 ( -1.329 3.060 0.494) 3.373 4.615 ( -8.336 0.226 -5.740) 10.124 5.086 ( -17.769 -7.343 9.685) 21.528 6.338 ( -5.419 -7.592 -9.944) 13.634 7.181 ( 4.442 -3.661 1.677) 5.996 7.884 ( 5.743 5.042 0.390) 7.652 24.360 ( 0.936 14.884 0.352) 14.917 27.198 ( -0.610 4.808 0.419) 4.865 28.899 ( -4.273 -1.980 -1.668) 4.996 32.734 ( 6.970 -15.562 -0.900) 17.075 95.755 ( 0.406 8.132 -0.471) 8.156 98.282 ( 6.349 -3.811 2.723) 7.890 ======================= Grid point 699 (346/413) ======================= q-point: (-0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -8.784 -3.889 11.762) 15.187 1.707 ( -8.758 3.902 11.109) 14.674 2.150 ( -7.518 6.361 -0.715) 9.874 2.206 ( -0.162 -1.286 -6.176) 6.311 2.584 ( -9.244 4.830 1.074) 10.485 2.829 ( -0.354 -1.170 -0.308) 1.261 4.260 ( -4.595 4.064 0.147) 6.136 4.320 ( -14.693 2.951 -5.812) 16.074 4.911 ( -10.951 -6.827 12.387) 17.887 6.139 ( -6.174 -15.274 -13.412) 21.244 7.271 ( 2.979 -0.230 4.081) 5.058 8.001 ( 6.994 9.930 -1.351) 12.221 24.382 ( 1.080 15.000 0.383) 15.043 27.190 ( -0.617 3.790 0.487) 3.870 28.792 ( -5.705 -2.467 -1.633) 6.426 32.863 ( 7.510 -16.360 -1.107) 18.036 95.760 ( 0.563 8.802 -0.710) 8.848 98.442 ( 8.461 -5.234 2.766) 10.326 ======================= Grid point 700 (347/413) ======================= q-point: (-0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -7.701 -2.053 13.477) 15.657 1.590 ( -11.812 4.279 10.260) 16.220 1.996 ( -9.361 4.711 -2.375) 10.745 2.143 ( -0.859 -1.355 -7.976) 8.136 2.442 ( -7.904 7.468 10.380) 15.033 2.848 ( 4.340 1.333 -5.559) 7.178 3.932 ( -17.846 1.318 -2.573) 18.078 4.253 ( -1.006 7.475 -0.064) 7.543 4.788 ( -11.309 -3.592 7.383) 13.975 5.956 ( -3.096 -23.302 -10.718) 25.835 7.350 ( 1.742 1.893 5.520) 6.090 8.111 ( 6.360 14.791 -3.446) 16.465 24.404 ( 0.954 15.054 0.311) 15.088 27.183 ( -0.506 2.853 0.477) 2.937 28.674 ( -5.676 -2.678 -0.800) 6.327 32.986 ( 6.349 -17.165 -1.278) 18.346 95.765 ( 0.561 9.333 -0.861) 9.390 98.620 ( 8.440 -6.917 1.554) 11.022 ======================= Grid point 701 (348/413) ======================= q-point: (-0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -10.653 5.136 11.523) 16.512 1.507 ( -4.624 2.126 13.195) 14.143 1.758 ( -9.714 4.180 -8.333) 13.464 2.072 ( -0.365 -0.896 -8.589) 8.643 2.466 ( -1.309 8.268 16.479) 18.483 2.905 ( 6.447 2.134 -7.617) 10.205 3.631 ( -12.575 1.688 -1.138) 12.738 4.239 ( -0.455 8.338 -0.004) 8.350 4.603 ( -10.395 -1.159 1.215) 10.530 5.881 ( 0.544 -28.888 -5.016) 29.325 7.414 ( 0.680 3.166 5.685) 6.543 8.178 ( 3.758 18.134 -4.429) 19.042 24.420 ( 0.566 14.980 0.201) 14.992 27.179 ( -0.281 2.199 0.397) 2.252 28.584 ( -3.490 -2.718 0.120) 4.425 33.071 ( 3.637 -17.746 -1.260) 18.158 95.768 ( 0.333 9.522 -0.783) 9.560 98.757 ( 5.192 -8.220 0.109) 9.723 ======================= Grid point 702 (349/413) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( -1.742 10.501 10.492) 14.946 1.605 ( 0.002 1.382 13.024) 13.098 1.753 ( 1.631 8.517 -9.466) 12.838 1.985 ( 0.175 -1.098 -10.716) 10.774 2.741 ( -0.154 9.629 9.165) 13.294 2.999 ( 0.124 3.544 -3.072) 4.692 3.552 ( 0.069 4.061 -0.460) 4.087 4.438 ( -1.199 9.981 0.376) 10.060 4.473 ( 0.768 -1.033 -0.441) 1.361 5.223 ( 0.357 -30.775 -4.103) 31.049 7.577 ( -0.364 8.660 4.564) 9.796 8.541 ( 0.021 14.853 -2.640) 15.085 24.853 ( 0.028 27.567 -0.497) 27.571 27.237 ( -0.017 3.893 0.252) 3.901 28.473 ( 0.010 -5.238 0.266) 5.245 32.577 ( 0.058 -33.944 -0.894) 33.956 96.015 ( 0.027 14.805 -1.348) 14.866 98.570 ( -0.037 -14.346 0.111) 14.347 ======================= Grid point 703 (350/413) ======================= q-point: ( 0.08 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 4.510 8.121 8.953) 12.901 1.697 ( 2.159 1.933 4.559) 5.402 1.800 ( 10.238 6.690 -7.297) 14.241 1.928 ( 0.735 -1.702 -5.333) 5.647 2.787 ( -0.080 7.360 4.271) 8.510 2.910 ( -5.926 6.177 -2.423) 8.896 3.675 ( 11.738 3.666 -0.146) 12.298 4.413 ( -1.102 8.134 0.671) 8.235 4.598 ( 11.736 -0.539 0.215) 11.750 5.202 ( -0.256 -30.851 -2.139) 30.927 7.577 ( -2.274 8.204 2.007) 8.746 8.478 ( -5.224 14.468 -0.814) 15.404 24.845 ( -0.595 27.380 -0.183) 27.388 27.247 ( 0.921 4.267 0.105) 4.367 28.507 ( 3.458 -5.086 0.025) 6.151 32.546 ( -2.854 -33.623 -0.373) 33.746 96.002 ( -0.638 14.491 -0.417) 14.511 98.535 ( -3.651 -13.620 0.139) 14.101 ======================= Grid point 704 (351/413) ======================= q-point: ( 0.15 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 3.240 -0.065 -8.267) 8.880 1.796 ( 5.850 4.393 3.462) 8.094 1.945 ( 1.495 -0.702 3.640) 3.997 2.022 ( 14.377 4.487 -0.327) 15.064 2.788 ( -1.719 7.576 -4.716) 9.088 2.815 ( -1.758 5.247 3.706) 6.660 3.937 ( 15.456 3.172 1.136) 15.819 4.400 ( -1.027 7.146 0.837) 7.268 4.858 ( 15.799 -4.791 -7.184) 18.004 5.215 ( 2.274 -27.957 6.914) 28.889 7.521 ( -4.231 6.995 -0.653) 8.201 8.344 ( -8.886 12.249 0.626) 15.146 24.829 ( -1.015 27.300 0.021) 27.319 27.271 ( 1.654 5.365 -0.031) 5.614 28.595 ( 5.747 -4.623 -0.002) 7.375 32.470 ( -5.037 -32.710 0.093) 33.096 95.986 ( -0.966 14.057 0.261) 14.092 98.444 ( -5.951 -11.905 -0.074) 13.310 ======================= Grid point 705 (352/413) ======================= q-point: ( 0.23 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 4.908 -1.756 -10.342) 11.581 1.921 ( 5.290 1.963 1.338) 5.799 2.004 ( 1.481 -0.342 4.478) 4.729 2.264 ( 10.261 5.696 0.696) 11.757 2.739 ( -1.752 9.244 0.664) 9.432 2.839 ( 3.942 -1.145 -2.322) 4.716 4.246 ( 15.091 2.721 3.826) 15.804 4.383 ( -1.362 4.914 0.608) 5.135 4.985 ( 8.773 -15.779 -15.065) 23.514 5.461 ( 13.023 -16.789 15.568) 26.341 7.413 ( -6.082 5.102 -2.650) 8.370 8.167 ( -10.448 8.478 0.779) 13.478 24.809 ( -1.168 27.350 0.079) 27.375 27.305 ( 2.023 6.964 -0.125) 7.253 28.711 ( 6.439 -3.899 0.216) 7.530 32.367 ( -6.009 -31.431 0.390) 32.003 95.971 ( -0.967 13.589 0.547) 13.634 98.324 ( -6.513 -9.729 -0.558) 11.722 ======================= Grid point 706 (353/413) ======================= q-point: ( 0.31 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 6.105 -2.026 -8.030) 10.289 1.991 ( 2.434 2.124 -2.120) 3.864 2.076 ( 2.613 -1.102 5.549) 6.232 2.397 ( 4.050 7.545 0.337) 8.570 2.704 ( -2.782 6.610 0.185) 7.174 2.942 ( 8.337 -4.637 -2.362) 9.828 4.356 ( -1.683 2.090 -0.139) 2.687 4.511 ( 8.696 1.186 5.198) 10.200 5.073 ( 12.135 -16.635 -10.625) 23.170 5.826 ( 13.968 -13.300 13.398) 23.484 7.260 ( -7.743 2.542 -4.123) 9.133 7.980 ( -9.747 4.090 0.239) 10.573 24.789 ( -1.046 27.508 0.057) 27.528 27.342 ( 1.928 8.723 -0.158) 8.935 28.827 ( 5.636 -3.056 0.374) 6.422 32.261 ( -5.565 -30.087 0.496) 30.601 95.959 ( -0.735 13.162 0.528) 13.193 98.204 ( -5.567 -7.645 -0.872) 9.498 ======================= Grid point 707 (354/413) ======================= q-point: ( 0.38 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 5.591 -1.529 -4.686) 7.453 1.994 ( -0.262 1.912 -2.170) 2.904 2.170 ( 3.585 -0.536 4.062) 5.444 2.437 ( -0.056 6.165 1.188) 6.278 2.643 ( -2.436 4.691 -2.572) 5.878 3.079 ( 7.027 -5.054 -1.112) 8.726 4.321 ( -1.689 -0.578 -0.498) 1.853 4.637 ( 2.640 -2.060 2.696) 4.299 5.270 ( 12.999 -13.352 -3.863) 19.031 6.157 ( 12.074 -11.313 10.994) 19.865 7.069 ( -8.807 -0.609 -5.676) 10.495 7.822 ( -7.071 0.316 0.038) 7.078 24.772 ( -0.701 27.725 0.018) 27.734 27.372 ( 1.359 10.235 -0.120) 10.326 28.919 ( 3.817 -2.320 0.292) 4.476 32.176 ( -3.816 -28.977 0.399) 29.230 95.952 ( -0.387 12.852 0.346) 12.863 98.111 ( -3.748 -6.061 -0.748) 7.165 ======================= Grid point 708 (355/413) ======================= q-point: ( 0.46 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 2.743 -0.654 -0.990) 2.989 1.952 ( -3.115 1.213 -0.809) 3.439 2.260 ( 2.515 0.947 3.394) 4.329 2.425 ( -0.411 2.388 -0.738) 2.533 2.592 ( -0.720 5.352 -3.091) 6.222 3.166 ( 2.428 -4.557 -0.172) 5.166 4.292 ( -0.803 -2.258 -0.476) 2.443 4.677 ( 0.557 -3.781 1.241) 4.019 5.435 ( 5.300 -11.274 -0.677) 12.476 6.436 ( 10.088 -8.509 9.569) 16.301 6.859 ( -8.315 -4.447 -7.782) 12.226 7.728 ( -3.047 -1.908 0.457) 3.624 24.764 ( -0.217 27.938 -0.023) 27.939 27.388 ( 0.426 11.124 -0.014) 11.132 28.970 ( 1.502 -1.944 0.016) 2.457 32.130 ( -1.172 -28.324 0.103) 28.348 95.950 ( 0.005 12.725 0.089) 12.726 98.057 ( -1.609 -5.170 -0.229) 5.420 ======================= Grid point 709 (356/413) ======================= q-point: (-0.46 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -6.795 0.509 2.047) 7.115 1.914 ( -1.002 0.923 2.282) 2.658 2.278 ( -2.110 1.213 1.614) 2.921 2.462 ( 5.647 0.845 -3.543) 6.720 2.567 ( -0.077 5.083 -1.447) 5.285 3.158 ( -3.512 -3.296 0.632) 4.858 4.289 ( 0.708 -2.133 -0.172) 2.254 4.682 ( -0.696 -4.450 0.698) 4.558 5.430 ( -5.761 -9.939 -0.138) 11.489 6.595 ( -6.203 -4.918 0.274) 7.920 6.733 ( 7.733 -8.698 -1.487) 11.733 7.720 ( 1.621 -2.167 1.232) 2.973 24.764 ( 0.325 28.096 -0.078) 28.098 27.387 ( -0.635 11.154 0.131) 11.173 28.974 ( -0.950 -2.094 -0.357) 2.327 32.135 ( 1.760 -28.248 -0.330) 28.305 95.953 ( 0.443 12.829 -0.240) 12.839 98.049 ( 0.589 -5.035 0.551) 5.099 ======================= Grid point 710 (357/413) ======================= q-point: (-0.38 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -9.475 -0.247 4.763) 10.608 1.897 ( -3.886 3.182 6.128) 7.923 2.243 ( -1.113 -0.684 -2.189) 2.549 2.493 ( -0.657 6.322 -3.459) 7.236 2.611 ( 5.709 -0.037 -0.603) 5.740 3.051 ( -8.567 -1.223 1.659) 8.812 4.314 ( 1.845 -0.261 0.064) 1.864 4.663 ( -1.750 -4.327 0.242) 4.674 5.227 ( -15.478 -8.808 0.218) 17.810 6.385 ( -9.592 -10.723 -9.431) 17.203 6.943 ( 9.866 -3.157 5.184) 11.584 7.804 ( 6.045 -0.540 1.948) 6.375 24.774 ( 0.851 28.177 -0.169) 28.191 27.368 ( -1.538 10.316 0.275) 10.434 28.930 ( -3.320 -2.744 -0.753) 4.373 32.188 ( 4.323 -28.770 -0.774) 29.104 95.963 ( 0.947 13.174 -0.687) 13.226 98.087 ( 2.786 -5.678 1.447) 6.488 ======================= Grid point 711 (358/413) ======================= q-point: (-0.31 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( -9.985 -1.073 8.153) 12.935 1.863 ( -5.527 5.116 8.554) 11.396 2.205 ( -0.095 -2.059 -5.265) 5.654 2.423 ( -4.342 7.447 -2.148) 8.884 2.716 ( 5.610 0.305 -1.267) 5.760 2.883 ( -10.613 1.235 2.914) 11.075 4.349 ( 1.586 2.146 0.334) 2.689 4.607 ( -4.754 -1.583 -2.839) 5.759 4.906 ( -18.355 -9.403 4.287) 21.064 6.112 ( -11.150 -14.833 -13.039) 22.680 7.148 ( 7.834 1.019 5.671) 9.725 7.967 ( 9.711 2.590 1.932) 10.234 24.793 ( 1.274 28.183 -0.323) 28.213 27.336 ( -2.063 8.832 0.380) 9.077 28.842 ( -5.358 -3.653 -1.022) 6.565 32.279 ( 5.972 -29.811 -1.117) 30.424 95.978 ( 1.455 13.706 -1.288) 13.843 98.172 ( 4.882 -7.119 2.182) 8.904 ======================= Grid point 712 (359/413) ======================= q-point: (-0.23 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -8.363 -1.236 11.761) 14.484 1.807 ( -7.653 6.023 8.987) 13.252 2.162 ( 0.433 -2.371 -7.558) 7.933 2.301 ( -7.355 7.263 -2.229) 10.574 2.701 ( -8.860 5.931 4.899) 11.734 2.817 ( 4.164 0.857 -1.617) 4.549 4.314 ( -13.989 1.158 -1.060) 14.077 4.416 ( -2.682 5.124 -3.599) 6.811 4.731 ( -6.742 -10.010 8.908) 15.000 5.786 ( -12.440 -18.533 -15.355) 27.092 7.313 ( 5.362 4.464 6.094) 9.263 8.177 ( 11.471 6.634 0.519) 13.261 24.815 ( 1.465 28.121 -0.543) 28.164 27.299 ( -2.117 7.072 0.429) 7.395 28.722 ( -6.539 -4.459 -0.901) 7.966 32.386 ( 6.347 -31.178 -1.326) 31.845 95.997 ( 1.745 14.285 -1.944) 14.522 98.295 ( 6.376 -9.292 2.278) 11.497 ======================= Grid point 713 (360/413) ======================= q-point: (-0.15 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -5.283 -0.230 14.533) 15.465 1.706 ( -9.891 7.050 8.790) 14.993 2.100 ( -7.624 2.335 -6.206) 10.104 2.120 ( -1.897 1.781 -8.556) 8.943 2.626 ( -4.212 10.395 9.726) 14.845 2.885 ( 4.735 2.264 -2.852) 5.973 3.967 ( -17.713 1.992 -1.210) 17.866 4.416 ( 1.021 7.500 -0.673) 7.599 4.681 ( -6.438 -6.822 6.881) 11.633 5.463 ( -9.487 -23.215 -14.175) 28.808 7.438 ( 3.265 6.879 6.475) 9.995 8.378 ( 10.068 10.593 -1.748) 14.719 24.837 ( 1.284 27.990 -0.740) 28.029 27.266 ( -1.720 5.450 0.422) 5.730 28.598 ( -6.073 -4.935 -0.320) 7.832 32.487 ( 5.308 -32.554 -1.402) 33.014 96.012 ( 1.554 14.726 -2.337) 14.991 98.429 ( 6.227 -11.781 1.500) 13.409 ======================= Grid point 714 (361/413) ======================= q-point: (-0.08 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -2.255 2.308 15.011) 15.353 1.592 ( -8.549 7.806 9.972) 15.279 1.875 ( -7.296 6.951 -8.540) 13.209 2.058 ( 0.563 -0.805 -10.677) 10.722 2.668 ( -0.614 11.247 11.653) 16.207 2.957 ( 5.310 2.748 -3.317) 6.838 3.680 ( -12.036 3.210 -0.394) 12.463 4.428 ( 0.807 9.003 -0.579) 9.057 4.568 ( -8.346 -2.288 1.972) 8.876 5.273 ( -2.253 -28.607 -8.066) 29.808 7.528 ( 1.444 8.248 6.125) 10.375 8.509 ( 5.722 13.497 -3.175) 14.999 24.851 ( 0.733 27.793 -0.741) 27.813 27.244 ( -0.965 4.315 0.364) 4.436 28.505 ( -3.616 -5.158 0.232) 6.304 32.556 ( 3.027 -33.566 -1.275) 33.727 96.019 ( 0.873 14.905 -2.127) 15.081 98.533 ( 3.793 -13.712 0.498) 14.236 ======================= Grid point 715 (362/413) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.620 ( 0.086 0.398 11.512) 11.519 1.752 ( -1.392 10.208 8.432) 13.313 1.923 ( 1.284 7.991 -7.746) 11.203 1.955 ( 0.117 -1.960 -11.095) 11.268 2.935 ( -0.150 9.187 4.128) 10.073 3.048 ( -0.092 1.221 1.299) 1.785 3.656 ( 0.230 6.319 -0.383) 6.335 4.430 ( -0.591 -2.618 -0.246) 2.695 4.575 ( -0.520 -0.970 5.034) 5.153 4.757 ( 1.121 -11.489 -10.691) 15.734 7.794 ( -0.286 12.854 4.119) 13.500 8.753 ( -0.026 6.513 -0.841) 6.567 25.510 ( 0.005 38.011 -0.935) 38.022 27.333 ( -0.041 5.765 0.258) 5.771 28.347 ( 0.034 -7.320 0.229) 7.324 31.769 ( 0.038 -46.492 -0.959) 46.502 96.329 ( 0.053 16.280 -1.710) 16.370 98.256 ( -0.038 -16.772 0.206) 16.773 ======================= Grid point 716 (363/413) ======================= q-point: ( 0.08 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.563 -0.627 5.967) 6.027 1.827 ( 1.536 6.852 3.683) 7.929 1.899 ( 2.665 1.193 -2.336) 3.740 1.952 ( 7.052 6.446 -7.071) 11.886 2.939 ( -1.521 7.462 1.527) 7.767 3.012 ( -3.644 3.598 0.402) 5.136 3.762 ( 10.423 4.987 -0.301) 11.558 4.478 ( 3.520 -1.465 1.021) 3.947 4.618 ( 2.722 -2.064 6.445) 7.294 4.708 ( 1.047 -13.652 -9.391) 16.603 7.783 ( -3.276 12.191 1.747) 12.744 8.688 ( -6.440 6.550 -0.207) 9.188 25.499 ( -0.639 37.932 -0.275) 37.939 27.351 ( 1.817 6.221 0.150) 6.482 28.385 ( 3.865 -7.114 -0.012) 8.097 31.745 ( -2.096 -46.138 -0.360) 46.187 96.313 ( -0.809 16.266 -0.576) 16.296 98.234 ( -2.297 -16.174 0.145) 16.337 ======================= Grid point 717 (364/413) ======================= q-point: ( 0.15 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 2.175 -0.725 -6.907) 7.278 1.851 ( 0.443 0.671 5.768) 5.824 1.983 ( 3.999 4.539 0.493) 6.070 2.120 ( 12.755 4.926 0.066) 13.673 2.903 ( -2.662 5.197 -0.448) 5.856 2.949 ( -2.876 6.196 -0.183) 6.833 4.001 ( 14.703 2.979 0.382) 15.007 4.496 ( -2.226 1.638 1.920) 3.365 4.659 ( 1.126 -15.112 -8.842) 17.544 4.835 ( 13.394 -8.409 8.379) 17.898 7.699 ( -6.110 10.596 -0.733) 12.253 8.520 ( -11.321 5.324 0.127) 12.511 25.483 ( -1.024 38.005 0.252) 38.019 27.400 ( 3.287 7.518 0.051) 8.206 28.483 ( 6.549 -6.519 -0.129) 9.241 31.689 ( -3.716 -45.065 0.203) 45.218 96.293 ( -1.275 16.219 0.296) 16.272 98.177 ( -3.777 -14.578 -0.016) 15.060 ======================= Grid point 718 (365/413) ======================= q-point: ( 0.23 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 4.310 0.062 -9.152) 10.116 1.922 ( 1.262 -1.133 7.858) 8.039 2.051 ( 3.800 4.189 -1.537) 5.861 2.365 ( 11.962 3.859 1.186) 12.625 2.837 ( -3.559 1.422 -1.800) 4.234 2.911 ( -0.812 7.292 0.176) 7.339 4.293 ( 14.785 1.473 2.526) 15.071 4.446 ( -4.017 1.159 1.154) 4.337 4.638 ( 3.482 -16.107 -6.969) 17.892 5.181 ( 16.036 -12.424 9.188) 22.270 7.549 ( -8.526 8.387 -2.776) 12.277 8.282 ( -13.762 3.005 -0.365) 14.091 25.466 ( -1.106 38.246 0.519) 38.265 27.470 ( 4.047 9.387 -0.011) 10.223 28.616 ( 7.520 -5.654 -0.081) 9.409 31.615 ( -4.463 -43.553 0.605) 43.785 96.272 ( -1.324 16.156 0.702) 16.225 98.100 ( -4.180 -12.464 -0.315) 13.150 ======================= Grid point 719 (366/413) ======================= q-point: ( 0.31 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 5.926 0.453 -6.952) 9.146 1.996 ( 1.116 -1.255 5.385) 5.641 2.107 ( 3.455 3.612 -0.992) 5.095 2.539 ( 5.235 5.668 0.087) 7.716 2.754 ( -2.413 -1.238 -4.065) 4.886 2.932 ( 2.186 4.000 2.489) 5.194 4.370 ( -4.363 -0.704 0.142) 4.421 4.514 ( 4.840 -1.981 2.776) 5.921 4.747 ( 13.465 -13.841 -3.060) 19.551 5.537 ( 14.814 -15.650 9.046) 23.371 7.347 ( -10.243 6.102 -4.381) 12.702 8.023 ( -13.123 0.166 -0.961) 13.159 25.451 ( -0.915 38.609 0.550) 38.623 27.545 ( 3.890 11.426 -0.023) 12.070 28.750 ( 6.748 -4.716 -0.027) 8.233 31.538 ( -4.155 -41.971 0.767) 42.183 96.255 ( -1.049 16.095 0.702) 16.144 98.024 ( -3.610 -10.372 -0.517) 10.994 ======================= Grid point 720 (367/413) ======================= q-point: ( 0.38 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 5.695 0.604 -3.763) 6.853 2.023 ( -0.801 0.684 0.712) 1.271 2.179 ( 4.125 1.647 1.731) 4.767 2.541 ( -3.955 3.067 0.085) 5.006 2.716 ( 1.543 3.080 -5.162) 6.206 3.017 ( 3.965 -0.741 3.018) 5.037 4.293 ( -3.695 -2.043 -0.026) 4.222 4.570 ( 1.455 -4.855 0.471) 5.090 5.006 ( 12.872 -12.095 0.974) 17.690 5.851 ( 12.234 -18.588 7.990) 23.644 7.115 ( -10.510 4.809 -5.452) 12.779 7.801 ( -9.604 -2.398 -0.790) 9.930 25.441 ( -0.533 38.994 0.411) 39.000 27.608 ( 2.784 13.169 0.018) 13.460 28.857 ( 4.627 -3.937 -0.064) 6.076 31.478 ( -2.830 -40.671 0.646) 40.775 96.244 ( -0.577 16.054 0.461) 16.071 97.963 ( -2.448 -8.736 -0.452) 9.084 ======================= Grid point 721 (368/413) ======================= q-point: ( 0.46 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 3.524 0.926 -0.516) 3.680 1.981 ( -3.522 1.533 -0.649) 3.896 2.273 ( 3.432 0.581 3.025) 4.612 2.455 ( -3.319 0.562 -1.811) 3.822 2.710 ( 0.798 6.146 -3.241) 6.994 3.095 ( 2.120 -2.368 1.638) 3.575 4.243 ( -1.380 -2.477 -0.248) 2.846 4.589 ( 0.250 -5.017 0.223) 5.028 5.191 ( 5.570 -12.531 1.074) 13.756 6.095 ( 8.286 -22.606 5.160) 24.624 6.902 ( -7.540 6.191 -4.497) 10.743 7.669 ( -4.140 -4.012 0.144) 5.767 25.437 ( -0.051 39.298 0.152) 39.298 27.644 ( 0.945 14.186 0.099) 14.218 28.916 ( 1.723 -3.543 -0.165) 3.943 31.447 ( -0.778 -39.907 0.243) 39.915 96.240 ( 0.003 16.050 0.096) 16.050 97.928 ( -1.058 -7.794 -0.127) 7.867 ======================= Grid point 722 (369/413) ======================= q-point: (-0.46 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( -6.417 1.517 0.422) 6.607 1.945 ( 0.706 2.101 2.718) 3.506 2.293 ( -3.343 0.370 1.598) 3.724 2.454 ( 4.935 -0.903 -2.122) 5.448 2.695 ( -0.364 6.844 -1.922) 7.118 3.109 ( -1.396 -1.551 0.289) 2.107 4.245 ( 1.894 -1.997 -0.493) 2.796 4.583 ( -1.140 -5.320 0.640) 5.478 5.211 ( -3.736 -11.506 -0.650) 12.114 6.185 ( -0.913 -25.576 -2.665) 25.731 6.828 ( 2.008 8.194 1.843) 8.635 7.655 ( 2.124 -4.331 1.444) 5.035 25.441 ( 0.464 39.442 -0.190) 39.445 27.643 ( -1.166 14.209 0.196) 14.258 28.917 ( -1.430 -3.668 -0.278) 3.947 31.453 ( 1.500 -39.811 -0.349) 39.841 96.245 ( 0.660 16.094 -0.373) 16.112 97.923 ( 0.379 -7.639 0.380) 7.658 ======================= Grid point 723 (370/413) ======================= q-point: (-0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( -9.073 1.835 3.076) 9.754 1.971 ( -1.114 3.923 5.106) 6.534 2.228 ( -2.843 -0.587 -2.088) 3.576 2.542 ( 4.012 -1.711 -0.135) 4.363 2.673 ( -0.104 6.620 -1.564) 6.803 3.051 ( -4.545 1.047 -0.265) 4.672 4.297 ( 3.663 -1.263 -0.539) 3.912 4.560 ( -1.869 -5.698 1.178) 6.111 5.051 ( -11.649 -8.486 -2.826) 14.686 6.040 ( -8.640 -22.065 -9.304) 25.458 6.982 ( 9.330 5.542 6.714) 12.761 7.765 ( 7.837 -3.364 2.793) 8.974 25.451 ( 0.961 39.397 -0.585) 39.413 27.605 ( -2.981 13.229 0.283) 13.563 28.860 ( -4.370 -4.280 -0.377) 6.129 31.495 ( 3.445 -40.412 -0.962) 40.570 96.259 ( 1.369 16.173 -0.993) 16.262 97.948 ( 1.812 -8.298 0.964) 8.548 ======================= Grid point 724 (371/413) ======================= q-point: (-0.31 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -9.237 2.420 6.332) 11.457 1.974 ( -3.128 5.693 6.275) 9.032 2.164 ( -1.289 -1.904 -4.996) 5.500 2.543 ( -3.848 2.733 -0.430) 4.739 2.708 ( 4.137 1.596 -0.102) 4.435 2.955 ( -5.025 4.782 0.223) 6.940 4.350 ( 0.774 -2.515 1.775) 3.175 4.539 ( -0.753 -4.329 -0.177) 4.397 4.769 ( -14.630 -4.085 -4.276) 15.780 5.765 ( -12.096 -19.465 -12.169) 25.947 7.220 ( 10.073 5.790 7.238) 13.689 7.978 ( 12.242 -1.428 3.624) 12.847 25.468 ( 1.363 39.180 -1.002) 39.217 27.541 ( -4.051 11.503 0.342) 12.200 28.754 ( -6.619 -5.173 -0.404) 8.411 31.563 ( 4.618 -41.621 -1.432) 41.900 96.281 ( 2.002 16.249 -1.774) 16.468 98.003 ( 3.148 -9.759 1.437) 10.354 ======================= Grid point 725 (372/413) ======================= q-point: (-0.23 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -7.041 2.986 9.546) 12.232 1.938 ( -5.759 6.809 6.242) 10.886 2.110 ( 0.201 -2.772 -7.086) 7.611 2.417 ( -7.941 3.780 -3.386) 9.424 2.782 ( 1.950 3.070 3.198) 4.843 2.899 ( -0.754 6.460 0.994) 6.579 4.284 ( -13.293 -4.554 3.960) 14.599 4.479 ( -2.539 1.228 -3.376) 4.399 4.589 ( -0.301 -3.008 -1.692) 3.464 5.428 ( -13.680 -17.448 -13.787) 26.109 7.442 ( 8.107 8.187 6.837) 13.398 8.252 ( 14.082 1.010 3.015) 14.436 25.486 ( 1.537 38.850 -1.382) 38.905 27.466 ( -4.179 9.460 0.371) 10.348 28.617 ( -7.588 -6.053 -0.249) 9.710 31.640 ( 4.788 -43.209 -1.678) 43.506 96.306 ( 2.283 16.281 -2.552) 16.637 98.082 ( 4.031 -11.891 1.514) 12.647 ======================= Grid point 726 (373/413) ======================= q-point: (-0.15 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -3.710 2.979 11.896) 12.812 1.857 ( -7.474 7.799 6.440) 12.576 2.065 ( 0.719 -2.637 -8.223) 8.666 2.219 ( -8.551 4.597 -6.979) 11.957 2.830 ( 0.237 9.254 6.368) 11.236 2.936 ( 3.071 3.111 0.735) 4.433 4.001 ( -15.736 1.277 0.634) 15.800 4.475 ( 0.206 -3.314 3.455) 4.792 4.584 ( -0.153 -0.389 -2.223) 2.262 5.085 ( -11.182 -14.937 -14.471) 23.613 7.616 ( 5.452 10.710 6.473) 13.650 8.516 ( 12.055 3.431 1.127) 12.585 25.503 ( 1.336 38.496 -1.590) 38.552 27.397 ( -3.396 7.571 0.370) 8.306 28.481 ( -6.703 -6.724 0.078) 9.495 31.710 ( 3.926 -44.814 -1.682) 45.017 96.326 ( 1.968 16.275 -2.953) 16.657 98.167 ( 3.852 -14.254 1.081) 14.805 ======================= Grid point 727 (374/413) ======================= q-point: (-0.08 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.881 2.010 12.758) 12.945 1.772 ( -6.527 9.297 7.695) 13.720 2.000 ( -2.115 2.745 -7.977) 8.697 2.043 ( -2.133 1.587 -10.523) 10.854 2.889 ( 0.760 10.307 6.329) 12.118 3.003 ( 3.146 1.800 1.110) 3.791 3.757 ( -10.163 4.565 0.129) 11.141 4.486 ( -3.190 -3.960 1.734) 5.373 4.553 ( -0.920 -0.258 1.805) 2.042 4.849 ( -2.888 -11.994 -13.251) 18.105 7.736 ( 2.646 12.370 5.728) 13.887 8.696 ( 6.734 5.374 -0.528) 8.632 25.511 ( 0.752 38.204 -1.449) 38.239 27.349 ( -1.908 6.248 0.336) 6.541 28.381 ( -3.900 -7.155 0.312) 8.155 31.757 ( 2.213 -46.015 -1.435) 46.090 96.334 ( 1.106 16.273 -2.650) 16.524 98.231 ( 2.319 -16.091 0.496) 16.265 ======================= Grid point 728 (375/413) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 0.038 0.804 6.819) 6.867 1.896 ( 0.304 -3.737 -8.562) 9.347 1.935 ( -1.043 7.946 5.798) 9.892 2.061 ( 0.751 5.382 -5.300) 7.590 3.055 ( -0.085 1.106 2.130) 2.402 3.093 ( -0.132 5.455 0.454) 5.476 3.800 ( 0.408 8.037 -0.349) 8.055 4.364 ( -0.495 -4.128 -0.308) 4.169 4.448 ( -0.223 -4.269 0.084) 4.275 4.714 ( 0.680 -0.984 -5.580) 5.706 8.072 ( -0.230 14.524 3.656) 14.978 8.810 ( -0.069 -0.458 0.829) 0.950 26.355 ( -0.021 46.602 -1.165) 46.616 27.465 ( -0.047 7.448 0.258) 7.453 28.185 ( 0.047 -8.795 0.197) 8.797 30.754 ( 0.017 -54.681 -1.092) 54.692 96.651 ( 0.065 15.899 -1.537) 15.973 97.917 ( -0.025 -16.983 0.018) 16.983 ======================= Grid point 729 (376/413) ======================= q-point: ( 0.08 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.745 -0.569 3.251) 3.383 1.844 ( -0.372 -2.185 -3.797) 4.397 2.008 ( 3.479 6.711 5.768) 9.508 2.075 ( 5.210 5.277 -5.565) 9.271 3.052 ( -1.566 1.593 1.561) 2.726 3.069 ( -2.285 4.612 -0.473) 5.169 3.876 ( 7.717 6.546 -0.734) 10.146 4.414 ( 4.839 -4.369 0.437) 6.534 4.440 ( -0.414 -5.224 1.030) 5.341 4.677 ( -0.853 -1.087 -3.204) 3.490 8.046 ( -4.523 13.803 1.514) 14.604 8.747 ( -7.041 -0.275 0.364) 7.056 26.343 ( -0.615 46.551 -0.304) 46.556 27.492 ( 2.767 7.872 0.161) 8.346 28.228 ( 4.322 -8.584 -0.034) 9.611 30.737 ( -1.307 -54.358 -0.363) 54.375 96.637 ( -0.686 16.085 -0.558) 16.109 97.905 ( -1.210 -16.623 0.056) 16.667 ======================= Grid point 730 (377/413) ======================= q-point: ( 0.15 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 2.318 -0.144 -3.668) 4.341 1.842 ( 0.229 -1.295 3.749) 3.973 2.090 ( 3.174 5.549 0.050) 6.392 2.206 ( 10.115 3.514 0.339) 10.714 2.995 ( -4.425 3.768 -1.403) 5.979 3.036 ( -1.555 2.640 1.257) 3.312 4.056 ( 11.789 2.991 -1.063) 12.209 4.416 ( -0.619 -4.888 -0.250) 4.933 4.513 ( -0.493 -2.782 1.874) 3.390 4.700 ( 7.598 -6.686 1.193) 10.191 7.929 ( -8.281 12.104 -0.770) 14.686 8.563 ( -12.519 -0.727 -0.329) 12.545 26.329 ( -0.894 46.622 0.426) 46.633 27.567 ( 4.990 9.048 0.073) 10.333 28.338 ( 7.362 -8.026 -0.190) 10.892 30.702 ( -2.339 -53.351 0.334) 53.404 96.619 ( -1.106 16.350 0.232) 16.389 97.875 ( -1.990 -15.517 0.046) 15.644 ======================= Grid point 731 (378/413) ======================= q-point: ( 0.23 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 4.205 1.485 -5.835) 7.344 1.895 ( 1.179 -1.497 6.296) 6.578 2.144 ( 3.164 4.959 -1.203) 6.004 2.408 ( 10.226 0.520 1.016) 10.290 2.887 ( -5.686 3.320 -1.668) 6.792 3.019 ( -1.185 3.297 1.294) 3.735 4.267 ( 10.679 -3.714 -2.452) 11.570 4.429 ( 0.999 -1.400 1.597) 2.347 4.456 ( -3.452 -2.737 2.653) 5.142 4.936 ( 13.171 -12.341 4.494) 18.600 7.735 ( -11.005 9.908 -2.817) 15.074 8.293 ( -15.417 -1.715 -1.441) 15.579 26.318 ( -0.853 46.880 0.842) 46.896 27.672 ( 6.141 10.730 0.028) 12.363 28.486 ( 8.511 -7.310 -0.242) 11.222 30.657 ( -2.864 -51.940 0.853) 52.025 96.601 ( -1.159 16.639 0.637) 16.692 97.835 ( -2.204 -13.988 -0.066) 14.161 ======================= Grid point 732 (379/413) ======================= q-point: ( 0.31 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 5.389 2.413 -4.795) 7.607 1.967 ( 1.685 -1.536 5.404) 5.865 2.190 ( 2.658 4.475 -1.075) 5.315 2.559 ( 4.736 -3.349 -2.088) 6.165 2.788 ( -2.783 5.025 -0.218) 5.748 3.013 ( -0.735 2.974 2.301) 3.832 4.331 ( -3.277 -3.262 -1.410) 4.833 4.394 ( 1.384 -7.156 1.815) 7.511 4.607 ( 10.457 -1.860 3.862) 11.302 5.214 ( 12.385 -16.400 5.178) 21.193 7.490 ( -12.171 7.908 -4.383) 15.162 7.992 ( -14.901 -3.041 -2.204) 15.367 26.310 ( -0.597 47.280 0.917) 47.293 27.787 ( 5.915 12.566 0.035) 13.888 28.638 ( 7.695 -6.616 -0.264) 10.152 30.612 ( -2.716 -50.485 1.077) 50.570 96.586 ( -0.918 16.905 0.668) 16.943 97.796 ( -1.900 -12.427 -0.173) 12.572 ======================= Grid point 733 (380/413) ======================= q-point: ( 0.38 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 5.078 2.323 -2.599) 6.159 2.020 ( 0.388 -0.752 2.583) 2.718 2.234 ( 2.750 3.526 -0.014) 4.471 2.532 ( -3.383 -3.083 -3.072) 5.512 2.801 ( 2.599 5.288 -0.921) 5.964 3.030 ( 0.283 1.103 3.535) 3.714 4.250 ( -4.138 -1.920 0.985) 4.666 4.446 ( 2.558 -7.064 0.323) 7.520 4.820 ( 8.880 -6.309 3.398) 11.411 5.456 ( 9.583 -20.163 4.527) 22.779 7.238 ( -10.886 6.951 -4.821) 13.786 7.731 ( -11.064 -4.454 -1.834) 12.067 26.309 ( -0.241 47.692 0.704) 47.698 27.883 ( 4.261 14.149 0.086) 14.777 28.758 ( 5.287 -6.089 -0.288) 8.070 30.576 ( -1.835 -49.312 0.932) 49.355 96.577 ( -0.490 17.104 0.445) 17.117 97.764 ( -1.279 -11.169 -0.172) 11.244 ======================= Grid point 734 (381/413) ======================= q-point: ( 0.46 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 3.592 1.879 -0.261) 4.062 2.005 ( -2.854 0.765 0.027) 2.955 2.293 ( 2.378 1.621 1.901) 3.449 2.450 ( -2.473 -0.897 -2.626) 3.717 2.827 ( 1.141 5.448 -1.679) 5.814 3.066 ( 0.943 -0.855 2.427) 2.741 4.206 ( -1.080 -0.959 0.598) 1.564 4.481 ( 0.949 -5.671 -0.117) 5.751 4.965 ( 4.278 -9.374 1.976) 10.491 5.622 ( 5.299 -23.656 2.186) 24.341 7.044 ( -6.216 7.427 -2.828) 10.090 7.572 ( -4.887 -5.575 -0.412) 7.425 26.311 ( 0.138 47.984 0.278) 47.985 27.939 ( 1.484 15.079 0.164) 15.152 28.824 ( 1.903 -5.839 -0.281) 6.148 30.560 ( -0.379 -48.625 0.413) 48.628 96.575 ( 0.046 17.203 0.077) 17.203 97.747 ( -0.539 -10.422 -0.043) 10.436 ======================= Grid point 735 (382/413) ======================= q-point: (-0.46 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -5.297 2.120 -0.171) 5.708 1.987 ( 1.946 1.812 1.941) 3.292 2.303 ( -3.135 0.921 1.407) 3.558 2.437 ( 2.991 -0.786 -1.907) 3.633 2.825 ( -0.030 5.984 -1.352) 6.135 3.089 ( 0.193 -0.815 0.305) 0.892 4.221 ( 2.731 -0.087 -0.865) 2.867 4.478 ( -1.109 -5.022 0.028) 5.143 4.996 ( -1.615 -9.438 -0.717) 9.602 5.668 ( -0.601 -25.342 -2.085) 25.435 6.992 ( 1.403 8.003 1.865) 8.336 7.551 ( 2.287 -5.982 1.547) 6.589 26.317 ( 0.512 48.070 -0.284) 48.074 27.938 ( -1.719 15.082 0.241) 15.182 28.823 ( -1.793 -5.908 -0.216) 6.178 30.568 ( 1.249 -48.521 -0.361) 48.539 96.580 ( 0.651 17.177 -0.406) 17.195 97.744 ( 0.226 -10.276 0.183) 10.280 ======================= Grid point 736 (383/413) ======================= q-point: (-0.38 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -7.238 3.819 1.616) 8.342 2.033 ( 1.180 1.738 2.007) 2.905 2.234 ( -3.971 1.670 -0.379) 4.324 2.491 ( 2.765 -2.852 0.105) 3.973 2.811 ( -0.058 6.751 -1.659) 6.952 3.076 ( -1.311 0.997 -0.677) 1.781 4.276 ( 3.183 -0.429 -1.634) 3.604 4.453 ( -0.742 -4.595 -0.343) 4.667 4.899 ( -6.797 -6.592 -3.657) 10.150 5.571 ( -6.337 -23.789 -6.237) 25.396 7.118 ( 8.436 7.549 6.147) 12.882 7.675 ( 8.809 -5.491 3.545) 10.969 26.326 ( 0.868 47.929 -0.898) 47.945 27.881 ( -4.470 14.160 0.294) 14.852 28.756 ( -5.180 -6.265 -0.122) 8.130 30.599 ( 2.563 -49.040 -1.165) 49.121 96.593 ( 1.279 17.011 -1.018) 17.090 97.758 ( 0.995 -10.757 0.447) 10.812 ======================= Grid point 737 (384/413) ======================= q-point: (-0.31 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( -7.085 5.434 3.649) 9.646 2.052 ( 0.198 0.482 -0.656) 0.838 2.160 ( -3.890 2.937 0.040) 4.875 2.517 ( -1.128 -3.487 0.846) 3.761 2.810 ( 1.868 6.898 -1.984) 7.417 3.041 ( -1.764 3.398 -0.003) 3.828 4.277 ( -3.348 -3.099 2.013) 4.986 4.475 ( 4.678 -2.264 -4.187) 6.674 4.711 ( -9.103 -2.373 -5.597) 10.947 5.359 ( -10.186 -20.635 -8.642) 24.582 7.361 ( 11.476 7.940 7.567) 15.875 7.917 ( 13.542 -4.392 4.992) 15.086 26.336 ( 1.172 47.608 -1.479) 47.646 27.784 ( -6.089 12.581 0.323) 13.981 28.635 ( -7.637 -6.825 -0.019) 10.242 30.643 ( 3.239 -50.130 -1.779) 50.266 96.612 ( 1.798 16.712 -1.731) 16.898 97.787 ( 1.710 -11.844 0.643) 11.984 ======================= Grid point 738 (385/413) ======================= q-point: (-0.23 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -5.261 6.047 5.402) 9.666 2.031 ( -0.134 -1.641 -5.013) 5.277 2.090 ( -4.576 4.809 2.404) 7.060 2.443 ( -6.166 -0.941 -2.077) 6.574 2.863 ( 4.337 5.167 0.101) 6.747 3.022 ( -0.752 5.175 1.518) 5.445 4.192 ( -8.131 -2.741 3.525) 9.276 4.497 ( -4.186 0.750 -4.444) 6.150 4.558 ( 3.008 -1.397 -5.943) 6.806 5.086 ( -11.434 -16.874 -9.810) 22.620 7.625 ( 10.708 9.854 7.188) 16.231 8.228 ( 15.245 -3.198 5.008) 16.363 26.347 ( 1.325 47.220 -1.924) 47.277 27.669 ( -6.287 10.741 0.339) 12.450 28.482 ( -8.536 -7.470 0.121) 11.343 30.690 ( 3.195 -51.592 -2.082) 51.733 96.633 ( 1.988 16.342 -2.373) 16.632 97.829 ( 2.160 -13.407 0.635) 13.595 ======================= Grid point 739 (386/413) ======================= q-point: (-0.15 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -2.862 5.156 6.588) 8.841 1.981 ( -1.052 -0.392 -5.179) 5.300 2.026 ( -3.897 3.639 1.964) 5.682 2.285 ( -7.200 1.880 -5.123) 9.035 2.952 ( 3.962 3.675 1.789) 5.692 3.035 ( 0.621 5.991 2.255) 6.431 4.029 ( -10.453 2.277 1.364) 10.785 4.414 ( -1.489 -1.183 -0.842) 2.080 4.577 ( -0.051 -1.557 -3.750) 4.061 4.831 ( -6.361 -11.437 -10.656) 16.877 7.849 ( 7.886 12.236 6.376) 15.892 8.526 ( 12.858 -2.111 3.553) 13.505 26.357 ( 1.182 46.896 -2.092) 46.958 27.564 ( -5.114 9.050 0.344) 10.401 28.333 ( -7.409 -8.092 0.281) 10.975 30.728 ( 2.516 -53.085 -2.046) 53.184 96.649 ( 1.687 16.020 -2.648) 16.325 97.872 ( 2.033 -15.109 0.396) 15.251 ======================= Grid point 740 (387/413) ======================= q-point: (-0.08 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 703 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -0.922 3.064 7.198) 7.877 1.930 ( -1.353 2.341 -1.792) 3.244 1.971 ( -2.440 1.348 -1.517) 3.173 2.132 ( -4.189 4.087 -5.866) 8.286 3.023 ( 1.933 2.164 2.151) 3.612 3.071 ( 1.306 6.096 1.761) 6.478 3.865 ( -6.885 6.372 0.159) 9.382 4.400 ( -1.231 -3.327 0.647) 3.606 4.484 ( -4.626 -4.353 -2.258) 6.741 4.736 ( 1.826 -3.420 -8.497) 9.339 8.003 ( 4.066 13.983 5.282) 15.490 8.735 ( 7.136 -1.152 1.838) 7.458 26.360 ( 0.681 46.705 -1.840) 46.746 27.491 ( -2.871 7.869 0.323) 8.382 28.224 ( -4.290 -8.589 0.336) 9.607 30.751 ( 1.379 -54.218 -1.694) 54.262 96.656 ( 0.957 15.861 -2.344) 16.062 97.905 ( 1.210 -16.441 0.119) 16.486 ======================= Grid point 741 (388/413) ======================= q-point: ( 0.00 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 0.045 2.152 1.693) 2.738 1.808 ( 0.080 -4.798 -5.475) 7.281 2.065 ( -0.438 5.025 3.142) 5.942 2.133 ( 0.336 1.807 -2.525) 3.123 3.092 ( 0.006 2.784 0.364) 2.807 3.163 ( -0.008 1.289 -1.058) 1.667 3.967 ( 0.361 8.474 -0.347) 8.488 4.264 ( -0.294 -5.911 -0.336) 5.928 4.444 ( -0.125 3.071 -0.996) 3.231 4.652 ( 0.371 -4.886 -3.203) 5.854 8.353 ( -0.194 13.242 3.240) 13.634 8.746 ( -0.114 -5.785 1.998) 6.121 27.353 ( -0.064 53.305 -1.252) 53.320 27.627 ( -0.028 8.771 0.247) 8.775 28.001 ( 0.057 -9.525 0.170) 9.527 29.622 ( 0.002 -58.243 -1.226) 58.256 96.962 ( 0.057 15.412 -1.136) 15.454 97.585 ( 0.001 -16.259 -0.314) 16.262 ======================= Grid point 742 (389/413) ======================= q-point: ( 0.08 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 1.072 0.997 0.897) 1.717 1.784 ( 0.517 -3.522 -2.036) 4.100 2.117 ( 3.168 4.103 3.227) 6.106 2.153 ( 3.930 2.377 -2.907) 5.436 3.082 ( -1.207 1.977 0.370) 2.346 3.131 ( -2.686 1.258 -0.723) 3.053 4.020 ( 5.570 7.789 -0.742) 9.605 4.310 ( 4.920 -6.046 0.509) 7.811 4.424 ( -1.534 2.514 -0.021) 2.945 4.615 ( -2.394 -4.791 -1.710) 5.622 8.313 ( -5.753 12.600 1.322) 13.914 8.688 ( -7.124 -5.478 0.794) 9.021 27.339 ( -0.849 52.814 -0.258) 52.821 27.662 ( 3.519 9.038 0.120) 9.699 28.049 ( 4.838 -9.023 -0.053) 10.238 29.610 ( -0.616 -57.967 -0.378) 57.972 96.952 ( -0.449 15.615 -0.433) 15.627 97.578 ( -0.557 -16.139 -0.093) 16.149 ======================= Grid point 743 (390/413) ======================= q-point: ( 0.15 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 2.579 1.226 -1.068) 3.049 1.802 ( 1.417 -2.584 1.977) 3.549 2.190 ( 3.269 4.179 -0.073) 5.306 2.253 ( 7.310 1.154 0.302) 7.407 3.046 ( -3.197 1.549 -2.058) 4.105 3.069 ( -3.170 0.864 2.460) 4.104 4.146 ( 8.102 6.335 -1.639) 10.414 4.384 ( -0.275 0.064 0.394) 0.485 4.442 ( 3.321 -3.972 3.166) 6.068 4.560 ( -0.320 -6.961 -0.379) 6.979 8.164 ( -10.338 11.139 -0.770) 15.217 8.502 ( -12.678 -5.207 -0.605) 13.719 27.322 ( -0.932 52.316 0.538) 52.327 27.755 ( 6.324 9.730 0.030) 11.605 28.170 ( 7.955 -8.364 -0.179) 11.544 29.594 ( -1.149 -57.136 0.441) 57.149 96.940 ( -0.728 15.897 0.155) 15.914 97.564 ( -0.905 -15.624 0.084) 15.651 ======================= Grid point 744 (391/413) ======================= q-point: ( 0.23 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 4.115 2.265 -1.881) 5.060 1.859 ( 2.272 -2.151 3.768) 4.898 2.243 ( 2.773 4.851 -0.776) 5.642 2.391 ( 6.493 -2.046 0.266) 6.813 2.956 ( -4.517 3.317 -0.482) 5.625 3.045 ( -1.798 -0.466 2.452) 3.076 4.245 ( 3.169 2.300 -2.431) 4.609 4.400 ( -4.867 -2.810 1.955) 5.950 4.442 ( 4.399 1.570 3.945) 6.114 4.696 ( 10.327 -11.352 2.214) 15.506 7.929 ( -13.210 9.320 -2.781) 16.404 8.224 ( -15.693 -5.025 -2.182) 16.622 27.313 ( -0.603 52.352 0.961) 52.364 27.889 ( 7.804 10.782 -0.001) 13.309 28.329 ( 8.979 -8.168 -0.229) 12.140 29.575 ( -1.523 -56.008 1.072) 56.038 96.928 ( -0.751 16.196 0.475) 16.220 97.547 ( -0.976 -14.863 0.140) 14.896 ======================= Grid point 745 (392/413) ======================= q-point: ( 0.31 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 4.682 3.059 -1.792) 5.873 1.934 ( 2.621 -1.855 3.679) 4.884 2.281 ( 1.890 4.623 -0.689) 5.042 2.470 ( 2.117 -4.850 -1.671) 5.549 2.897 ( -1.706 5.268 1.458) 5.726 3.034 ( -1.332 -0.844 2.682) 3.111 4.266 ( 0.779 -1.611 -0.652) 1.905 4.310 ( -5.262 -2.471 3.943) 7.025 4.602 ( 8.015 1.458 3.123) 8.725 4.906 ( 9.891 -13.827 2.573) 17.194 7.649 ( -13.763 7.751 -4.268) 16.362 7.910 ( -15.388 -5.093 -3.218) 16.525 27.313 ( -0.208 52.732 1.019) 52.743 28.035 ( 7.589 12.040 0.019) 14.232 28.488 ( 8.014 -8.314 -0.287) 11.551 29.554 ( -1.580 -54.928 1.381) 54.968 96.920 ( -0.573 16.460 0.514) 16.478 97.531 ( -0.807 -14.052 0.105) 14.076 ======================= Grid point 746 (393/413) ======================= q-point: ( 0.38 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( 3.863 2.962 -1.046) 4.979 1.997 ( 1.506 -1.523 2.180) 3.056 2.308 ( 1.611 3.812 -0.324) 4.151 2.458 ( -1.027 -3.884 -2.143) 4.554 2.905 ( 0.758 4.856 1.177) 5.054 3.034 ( -0.902 -1.040 2.902) 3.212 4.229 ( -3.257 -0.012 2.469) 4.087 4.320 ( 1.766 -5.028 2.366) 5.831 4.755 ( 5.978 0.002 2.280) 6.398 5.085 ( 7.266 -16.254 1.962) 17.912 7.378 ( -11.376 6.976 -4.387) 14.047 7.630 ( -11.719 -5.586 -2.915) 13.306 27.319 ( 0.101 53.147 0.764) 53.153 28.160 ( 5.558 13.300 0.087) 14.414 28.612 ( 5.445 -8.607 -0.356) 10.191 29.538 ( -1.112 -54.160 1.254) 54.186 96.915 ( -0.275 16.646 0.346) 16.651 97.520 ( -0.503 -13.373 0.048) 13.383 ======================= Grid point 747 (394/413) ======================= q-point: ( 0.46 0.42 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 2.588 1.923 -0.042) 3.225 2.009 ( -1.232 -0.372 0.436) 1.359 2.337 ( 1.089 2.597 0.623) 2.884 2.426 ( -0.613 -1.522 -1.810) 2.443 2.924 ( 0.684 4.269 -0.064) 4.324 3.044 ( 0.112 -1.651 2.060) 2.642 4.213 ( -0.093 1.779 1.778) 2.517 4.369 ( 1.757 -5.426 0.853) 5.767 4.849 ( 2.587 -1.665 1.243) 3.319 5.194 ( 3.369 -18.383 0.543) 18.697 7.188 ( -5.890 7.018 -2.244) 9.433 7.452 ( -5.420 -6.304 -1.120) 8.388 27.327 ( 0.303 53.383 0.274) 53.385 28.232 ( 1.971 14.161 0.192) 14.298 28.679 ( 1.919 -8.884 -0.346) 9.096 29.534 ( -0.087 -53.729 0.633) 53.733 96.915 ( 0.085 16.715 0.050) 16.715 97.514 ( -0.159 -12.944 0.006) 12.945 ======================= Grid point 748 (395/413) ======================= q-point: (-0.46 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -3.114 2.104 -0.207) 3.764 2.008 ( 1.541 0.151 0.743) 1.717 2.337 ( -1.900 2.346 0.746) 3.109 2.419 ( 1.124 -1.187 -1.403) 2.154 2.931 ( 0.474 4.684 -0.638) 4.751 3.064 ( 0.941 -1.875 0.253) 2.113 4.247 ( 3.253 2.598 -1.234) 4.342 4.388 ( 0.413 -4.034 -1.099) 4.202 4.866 ( -1.097 -2.662 -0.291) 2.894 5.213 ( -1.175 -19.535 -1.260) 19.611 7.144 ( 1.567 7.335 1.788) 7.710 7.423 ( 2.188 -6.748 1.619) 7.276 27.334 ( 0.445 53.340 -0.355) 53.343 28.232 ( -2.245 14.144 0.286) 14.324 28.677 ( -1.866 -8.898 -0.211) 9.094 29.544 ( 1.102 -53.581 -0.350) 53.593 96.919 ( 0.483 16.642 -0.338) 16.653 97.514 ( 0.193 -12.819 -0.017) 12.821 ======================= Grid point 749 (396/413) ======================= q-point: (-0.38 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -4.406 4.614 0.264) 6.385 2.030 ( 0.454 -1.772 -0.491) 1.894 2.294 ( -2.694 3.856 0.679) 4.753 2.434 ( 0.909 -2.938 -0.302) 3.090 2.935 ( 0.838 5.573 -1.431) 5.814 3.077 ( 0.627 -1.109 -0.854) 1.534 4.293 ( 2.464 2.154 -3.670) 4.917 4.385 ( 2.065 -2.389 -3.371) 4.619 4.804 ( -4.550 -2.188 -2.186) 5.502 5.134 ( -5.495 -18.995 -2.881) 19.982 7.270 ( 8.644 7.531 5.648) 12.780 7.553 ( 9.195 -6.605 4.324) 12.119 27.338 ( 0.596 53.016 -1.016) 53.029 28.157 ( -5.771 13.283 0.325) 14.486 28.608 ( -5.354 -8.587 -0.044) 10.119 29.567 ( 1.912 -53.826 -1.360) 53.877 96.927 ( 0.892 16.424 -0.812) 16.468 97.521 ( 0.557 -13.020 -0.040) 13.032 ======================= Grid point 750 (397/413) ======================= q-point: (-0.31 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -4.609 6.373 0.615) 7.889 2.012 ( -0.919 -3.502 -3.239) 4.858 2.253 ( -2.737 5.214 1.574) 6.095 2.439 ( -0.830 -4.173 0.524) 4.287 2.944 ( 1.808 6.186 -2.411) 6.882 3.079 ( 0.441 0.154 -0.877) 0.994 4.270 ( -2.018 2.631 -1.571) 3.669 4.434 ( 6.474 -2.347 -7.116) 9.903 4.675 ( -6.716 -0.647 -3.660) 7.676 4.975 ( -8.656 -16.949 -4.066) 19.461 7.523 ( 12.737 8.073 7.436) 16.814 7.811 ( 13.975 -6.143 6.082) 16.433 27.342 ( 0.811 52.523 -1.609) 52.554 28.032 ( -7.741 12.069 0.318) 14.342 28.483 ( -7.937 -8.188 0.073) 11.404 29.593 ( 2.118 -54.581 -2.099) 54.663 96.940 ( 1.223 16.096 -1.331) 16.197 97.534 ( 0.901 -13.545 -0.100) 13.575 ======================= Grid point 751 (398/413) ======================= q-point: (-0.23 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -3.761 6.715 0.707) 7.729 1.959 ( -1.071 -4.482 -5.357) 7.067 2.208 ( -3.815 5.790 2.231) 7.284 2.396 ( -4.108 -3.454 -0.324) 5.377 2.974 ( 3.247 5.538 -2.087) 6.750 3.088 ( 1.244 1.157 -0.624) 1.810 4.211 ( -4.038 4.750 0.472) 6.253 4.489 ( 1.637 -2.945 -6.287) 7.133 4.536 ( -1.269 0.379 -5.094) 5.263 4.770 ( -9.319 -13.979 -4.912) 17.504 7.821 ( 12.928 9.486 7.268) 17.605 8.135 ( 15.351 -5.943 6.282) 17.620 27.346 ( 1.077 52.120 -2.041) 52.171 27.886 ( -7.927 10.850 0.302) 13.441 28.324 ( -8.973 -7.967 0.164) 12.001 29.613 ( 1.844 -55.728 -2.440) 55.812 96.952 ( 1.337 15.741 -1.769) 15.896 97.552 ( 1.106 -14.333 -0.223) 14.377 ======================= Grid point 752 (399/413) ======================= q-point: (-0.15 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( -2.361 5.768 0.793) 6.283 1.902 ( -0.420 -5.066 -6.453) 8.215 2.145 ( -4.719 5.731 2.917) 7.976 2.291 ( -5.644 -1.206 -2.082) 6.136 3.028 ( 3.198 4.091 -0.544) 5.221 3.116 ( 2.257 1.625 -0.932) 2.933 4.118 ( -6.403 6.818 0.815) 9.389 4.408 ( -3.246 -1.150 -2.012) 3.988 4.523 ( -3.273 -3.197 -4.435) 6.372 4.625 ( 1.637 -8.387 -6.613) 10.805 8.087 ( 10.123 11.360 6.238) 16.445 8.443 ( 12.762 -6.021 5.075) 14.995 27.352 ( 1.227 52.199 -2.214) 52.260 27.752 ( -6.438 9.777 0.306) 11.710 28.165 ( -7.991 -8.212 0.267) 11.462 29.625 ( 1.304 -56.944 -2.372) 57.008 96.962 ( 1.134 15.467 -1.936) 15.629 97.570 ( 1.019 -15.212 -0.372) 15.251 ======================= Grid point 753 (400/413) ======================= q-point: (-0.08 0.42 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 702 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -0.999 4.032 1.205) 4.325 1.852 ( 0.098 -5.327 -6.707) 8.565 2.085 ( -3.857 5.390 3.365) 7.434 2.182 ( -3.583 0.803 -2.712) 4.565 3.074 ( 1.691 3.255 0.271) 3.678 3.150 ( 2.002 1.529 -1.164) 2.775 4.011 ( -4.654 8.094 0.084) 9.337 4.321 ( -4.779 -5.959 -0.730) 7.673 4.453 ( -0.141 2.072 -2.592) 3.322 4.648 ( 3.197 -5.445 -4.946) 8.021 8.274 ( 5.424 12.803 4.875) 14.734 8.661 ( 7.053 -6.010 3.409) 9.873 27.357 ( 0.889 52.888 -1.989) 52.933 27.660 ( -3.606 9.010 0.311) 9.710 28.045 ( -4.803 -9.007 0.309) 10.213 29.628 ( 0.659 -57.870 -1.937) 57.906 96.966 ( 0.652 15.351 -1.708) 15.460 97.582 ( 0.601 -15.926 -0.430) 15.943 ======================= Grid point 754 (401/413) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 0.052 -3.918 -2.308) 4.548 1.719 ( 0.052 3.918 -2.308) 4.548 2.133 ( -0.039 -1.729 0.321) 1.759 2.133 ( -0.039 1.729 0.321) 1.759 3.149 ( 0.049 -2.320 -0.974) 2.516 3.149 ( 0.049 2.320 -0.974) 2.516 4.129 ( 0.064 -7.576 -0.345) 7.584 4.129 ( 0.064 7.576 -0.345) 7.584 4.540 ( 0.070 -5.854 -1.799) 6.124 4.540 ( 0.070 5.854 -1.799) 6.124 8.587 ( -0.157 -10.044 2.742) 10.413 8.587 ( -0.157 10.044 2.742) 10.413 27.810 ( -0.037 -9.495 0.239) 9.498 27.810 ( -0.037 9.495 0.239) 9.498 28.463 ( 0.016 -57.511 -1.317) 57.526 28.463 ( 0.016 57.511 -1.317) 57.526 97.269 ( 0.032 -15.549 -0.708) 15.565 97.269 ( 0.032 15.549 -0.708) 15.565 ======================= Grid point 756 (402/413) ======================= q-point: ( 0.08 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 1.061 -2.854 -0.691) 3.122 1.718 ( 1.061 2.854 -0.691) 3.122 2.168 ( 3.379 -0.897 0.173) 3.500 2.168 ( 3.379 0.897 0.173) 3.500 3.124 ( -2.140 -1.684 -0.488) 2.767 3.124 ( -2.140 1.684 -0.488) 2.767 4.175 ( 4.919 -7.436 -0.187) 8.917 4.175 ( 4.919 7.436 -0.187) 8.917 4.508 ( -2.434 -5.345 -0.652) 5.909 4.508 ( -2.434 5.345 -0.652) 5.909 8.536 ( -6.679 -9.565 1.100) 11.718 8.536 ( -6.679 9.565 1.100) 11.718 27.845 ( 3.557 -8.964 0.145) 9.645 27.845 ( 3.557 8.964 0.145) 9.645 28.459 ( 0.213 -56.724 -0.434) 56.726 28.459 ( 0.213 56.724 -0.434) 56.726 97.262 ( -0.340 -15.630 -0.266) 15.636 97.262 ( -0.340 15.630 -0.266) 15.636 ======================= Grid point 758 (403/413) ======================= q-point: ( 0.15 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 2.351 -2.506 0.618) 3.492 1.749 ( 2.351 2.506 0.618) 3.492 2.249 ( 4.869 -1.637 0.036) 5.137 2.249 ( 4.869 1.637 0.036) 5.137 3.069 ( -3.410 -0.731 0.336) 3.504 3.069 ( -3.410 0.731 0.336) 3.504 4.294 ( 7.220 -7.669 -0.667) 10.554 4.294 ( 7.220 7.669 -0.667) 10.554 4.451 ( -3.167 -3.722 1.391) 5.081 4.451 ( -3.167 3.722 1.391) 5.081 8.363 ( -11.897 -8.620 -0.728) 14.710 8.363 ( -11.897 8.620 -0.728) 14.710 27.939 ( 6.297 -7.099 0.016) 9.489 27.939 ( 6.297 7.099 0.016) 9.489 28.464 ( 0.378 -54.201 0.431) 54.204 28.464 ( 0.378 54.201 0.431) 54.204 97.253 ( -0.546 -15.623 0.110) 15.633 97.253 ( -0.546 15.623 0.110) 15.633 ======================= Grid point 760 (404/413) ======================= q-point: ( 0.23 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 3.485 -2.557 1.267) 4.505 1.811 ( 3.485 2.557 1.267) 4.505 2.331 ( 3.757 -3.835 -0.423) 5.386 2.331 ( 3.757 3.835 -0.423) 5.386 3.014 ( -2.995 -2.391 1.604) 4.154 3.014 ( -2.995 2.391 1.604) 4.154 4.327 ( -2.946 -4.588 -0.123) 5.454 4.327 ( -2.946 4.588 -0.123) 5.454 4.513 ( 7.806 -6.281 2.731) 10.385 4.513 ( 7.806 6.281 2.731) 10.385 8.098 ( -14.863 -7.484 -2.597) 16.843 8.098 ( -14.863 7.484 -2.597) 16.843 28.070 ( 7.582 -3.358 -0.201) 8.295 28.070 ( 7.582 3.358 -0.201) 8.295 28.478 ( 0.437 -49.173 1.162) 49.188 28.478 ( 0.437 49.173 1.162) 49.188 97.245 ( -0.559 -15.537 0.308) 15.550 97.245 ( -0.559 15.537 0.308) 15.550 ======================= Grid point 762 (405/413) ======================= q-point: ( 0.31 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 3.759 -2.590 1.233) 4.729 1.890 ( 3.759 2.590 1.233) 4.729 2.374 ( 1.445 -4.756 -0.940) 5.059 2.374 ( 1.445 4.756 -0.940) 5.059 2.987 ( -1.488 -3.627 2.543) 4.673 2.987 ( -1.488 3.627 2.543) 4.673 4.271 ( -3.237 -1.491 2.289) 4.236 4.271 ( -3.237 1.491 2.289) 4.236 4.688 ( 8.394 -7.640 1.960) 11.518 4.688 ( 8.394 7.640 1.960) 11.518 7.793 ( -14.914 -6.592 -3.909) 16.768 7.793 ( -14.914 6.592 -3.909) 16.768 28.207 ( 7.192 -7.805 -0.562) 10.628 28.207 ( 7.192 7.805 -0.562) 10.628 28.496 ( 0.364 -40.313 1.696) 40.351 28.496 ( 0.364 40.313 1.696) 40.351 97.238 ( -0.420 -15.407 0.324) 15.416 97.238 ( -0.420 15.407 0.324) 15.416 ======================= Grid point 764 (406/413) ======================= q-point: ( 0.38 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 2.572 -2.440 0.724) 3.618 1.958 ( 2.572 2.440 0.724) 3.618 2.383 ( 0.553 -3.703 -0.849) 3.839 2.383 ( 0.553 3.703 -0.849) 3.839 2.988 ( -0.531 -3.385 2.275) 4.113 2.988 ( -0.531 3.385 2.275) 4.113 4.250 ( -1.131 -2.142 3.344) 4.129 4.250 ( -1.131 2.142 3.344) 4.129 4.835 ( 5.991 -8.348 1.114) 10.336 4.835 ( 5.991 8.348 1.114) 10.336 7.511 ( -11.766 -6.334 -3.808) 13.895 7.511 ( -11.766 6.334 -3.808) 13.895 28.318 ( 5.156 -24.118 -0.978) 24.682 28.318 ( 5.156 24.118 -0.978) 24.683 28.515 ( 0.303 -28.315 1.911) 28.381 28.515 ( 0.303 28.315 1.911) 28.381 97.234 ( -0.202 -15.270 0.213) 15.273 97.234 ( -0.202 15.270 0.213) 15.273 ======================= Grid point 766 (407/413) ======================= q-point: ( 0.46 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 0.749 -1.314 0.285) 1.539 1.992 ( 0.749 1.314 0.285) 1.539 2.388 ( 0.429 -2.316 -0.559) 2.421 2.388 ( 0.429 2.316 -0.559) 2.421 2.997 ( 0.138 -3.070 1.194) 3.297 2.997 ( 0.138 3.070 1.194) 3.297 4.273 ( 1.172 -4.055 2.070) 4.701 4.273 ( 1.172 4.055 2.070) 4.701 4.918 ( 2.338 -8.852 0.150) 9.156 4.918 ( 2.338 8.852 0.150) 9.156 7.324 ( -5.741 -6.608 -1.767) 8.930 7.324 ( -5.741 6.608 -1.767) 8.930 28.376 ( 1.699 -40.526 -0.900) 40.572 28.376 ( 1.699 40.526 -0.900) 40.572 28.535 ( 0.531 -24.691 1.310) 24.731 28.535 ( 0.531 24.691 1.310) 24.731 97.233 ( 0.040 -15.147 0.030) 15.148 97.233 ( 0.040 15.147 0.030) 15.148 ======================= Grid point 768 (408/413) ======================= q-point: (-0.46 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( -0.489 -1.331 0.052) 1.419 1.995 ( -0.489 1.331 0.052) 1.419 2.385 ( -0.415 -2.217 -0.397) 2.290 2.385 ( -0.415 2.217 -0.397) 2.290 3.011 ( 0.954 -3.385 -0.067) 3.518 3.011 ( 0.954 3.385 -0.067) 3.518 4.313 ( 2.656 -3.646 -1.543) 4.767 4.313 ( 2.656 3.646 -1.543) 4.767 4.923 ( -1.630 -8.861 -0.434) 9.021 4.923 ( -1.630 8.861 -0.434) 9.021 7.286 ( 1.908 -6.978 1.699) 7.430 7.286 ( 1.908 6.978 1.699) 7.430 28.368 ( -2.007 -37.142 -0.169) 37.197 28.368 ( -2.007 37.142 -0.169) 37.197 28.550 ( 0.578 -25.560 -0.148) 25.567 28.550 ( 0.578 25.560 -0.148) 25.567 97.236 ( 0.294 -15.047 -0.199) 15.051 97.236 ( 0.294 15.047 -0.199) 15.051 ======================= Grid point 770 (409/413) ======================= q-point: (-0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( -1.674 -3.772 -0.612) 4.171 1.973 ( -1.674 3.772 -0.612) 4.171 2.370 ( -0.898 -3.538 0.032) 3.650 2.370 ( -0.898 3.538 0.032) 3.650 3.029 ( 1.338 -3.681 -1.183) 4.092 3.029 ( 1.338 3.681 -1.183) 4.092 4.343 ( 3.267 -2.288 -5.291) 6.626 4.343 ( 3.267 2.288 -5.291) 6.626 4.855 ( -5.157 -8.270 -0.788) 9.778 4.855 ( -5.157 8.270 -0.788) 9.778 7.416 ( 9.081 -7.134 5.065) 12.610 7.416 ( 9.081 7.134 5.065) 12.610 28.303 ( -5.013 -21.947 0.393) 22.516 28.303 ( -5.013 21.947 0.393) 22.516 28.552 ( 0.266 -31.835 -1.480) 31.870 28.552 ( 0.266 31.835 -1.480) 31.870 97.241 ( 0.560 -14.978 -0.468) 14.995 97.241 ( 0.560 14.978 -0.468) 14.995 ======================= Grid point 772 (410/413) ======================= q-point: (-0.31 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -2.596 -5.277 -1.857) 6.167 1.924 ( -2.596 5.277 -1.857) 6.167 2.352 ( -1.569 -4.634 0.714) 4.944 2.352 ( -1.569 4.634 0.714) 4.944 3.044 ( 1.678 -3.564 -2.066) 4.448 3.044 ( 1.678 3.564 -2.066) 4.448 4.360 ( 3.149 -5.101 -6.417) 8.781 4.360 ( 3.149 5.101 -6.417) 8.781 4.728 ( -7.299 -7.177 -1.614) 10.363 4.728 ( -7.299 7.177 -1.614) 10.363 7.677 ( 13.665 -7.288 6.926) 16.965 7.677 ( 13.665 7.288 6.926) 16.965 28.194 ( -6.981 -9.381 0.579) 11.708 28.194 ( -6.981 9.381 0.579) 11.708 28.540 ( -0.025 -41.966 -2.308) 42.029 28.540 ( -0.025 41.966 -2.308) 42.029 97.249 ( 0.795 -14.967 -0.762) 15.008 97.249 ( 0.795 14.967 -0.762) 15.008 ======================= Grid point 774 (411/413) ======================= q-point: (-0.23 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -2.478 -5.779 -3.030) 6.980 1.857 ( -2.478 5.779 -3.030) 6.980 2.313 ( -3.430 -4.761 0.959) 5.946 2.313 ( -3.430 4.761 0.959) 5.946 3.066 ( 2.509 -3.195 -2.441) 4.739 3.066 ( 2.509 3.195 -2.441) 4.739 4.361 ( 0.273 -8.950 -3.816) 9.733 4.361 ( 0.273 8.950 -3.816) 9.733 4.582 ( -5.271 -4.699 -3.616) 7.933 4.582 ( -5.271 4.699 -3.616) 7.933 7.996 ( 14.538 -7.969 6.992) 17.993 7.996 ( 14.538 7.969 6.992) 17.993 28.061 ( -7.483 -5.344 0.546) 9.212 28.061 ( -7.483 5.344 0.546) 9.212 28.520 ( -0.189 -49.704 -2.642) 49.775 28.520 ( -0.189 49.704 -2.642) 49.775 97.259 ( 0.902 -15.045 -1.024) 15.107 97.259 ( 0.902 15.045 -1.024) 15.107 ======================= Grid point 776 (412/413) ======================= q-point: (-0.15 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -1.629 -5.658 -3.647) 6.926 1.794 ( -1.629 5.658 -3.647) 6.926 2.241 ( -4.717 -3.749 0.707) 6.067 2.241 ( -4.717 3.749 0.707) 6.067 3.101 ( 2.949 -2.722 -2.098) 4.529 3.101 ( 2.949 2.722 -2.098) 4.529 4.287 ( -6.035 -9.274 -0.580) 11.080 4.287 ( -6.035 9.274 -0.580) 11.080 4.521 ( 1.717 -2.783 -4.932) 5.918 4.521 ( 1.717 2.783 -4.932) 5.918 8.292 ( 11.819 -9.051 5.877) 16.005 8.292 ( 11.819 9.051 5.877) 16.005 27.934 ( -6.300 -7.451 0.441) 9.767 27.934 ( -6.300 7.451 0.441) 9.767 28.497 ( -0.224 -54.390 -2.540) 54.450 28.497 ( -0.224 54.390 -2.540) 54.450 97.267 ( 0.789 -15.205 -1.150) 15.268 97.267 ( 0.789 15.205 -1.150) 15.268 ======================= Grid point 778 (413/413) ======================= q-point: (-0.08 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 Number of triplets: 410 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -0.717 -5.032 -3.451) 6.144 1.746 ( -0.717 5.032 -3.451) 6.144 2.165 ( -3.464 -2.499 0.485) 4.299 2.165 ( -3.464 2.499 0.485) 4.299 3.137 ( 2.058 -2.469 -1.478) 3.538 3.137 ( 2.058 2.469 -1.478) 3.538 4.176 ( -4.606 -8.132 -0.388) 9.354 4.176 ( -4.606 8.132 -0.388) 9.354 4.535 ( 2.195 -5.417 -3.218) 6.672 4.535 ( 2.195 5.417 -3.218) 6.672 8.502 ( 6.470 -9.874 4.329) 12.574 8.502 ( 6.470 9.874 4.329) 12.574 27.843 ( -3.616 -9.025 0.334) 9.728 27.843 ( -3.616 9.025 0.334) 9.728 28.476 ( -0.146 -56.796 -2.065) 56.834 28.476 ( -0.146 56.796 -2.065) 56.834 97.271 ( 0.460 -15.394 -1.045) 15.436 97.271 ( 0.460 15.394 -1.045) 15.436 =================== 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 3/25272 10.0 175.537 229.770 218.315 0.000 21.448 0.000 3/25272 20.0 45.939 60.508 54.414 0.000 1.588 0.000 3/25272 30.0 21.558 28.118 24.483 0.000 0.416 0.000 3/25272 40.0 12.975 16.843 14.387 0.000 0.197 0.000 3/25272 50.0 9.014 11.655 9.813 0.000 0.124 0.000 3/25272 60.0 6.854 8.830 7.343 0.000 0.089 0.000 3/25272 70.0 5.529 7.100 5.839 0.000 0.070 0.000 3/25272 80.0 4.643 5.944 4.843 0.000 0.058 0.000 3/25272 90.0 4.011 5.121 4.140 0.000 0.049 0.000 3/25272 100.0 3.537 4.506 3.619 0.000 0.043 0.000 3/25272 110.0 3.169 4.029 3.218 0.000 0.038 0.000 3/25272 120.0 2.874 3.648 2.900 0.000 0.034 0.000 3/25272 130.0 2.632 3.336 2.641 0.000 0.031 0.000 3/25272 140.0 2.429 3.077 2.427 0.000 0.028 0.000 3/25272 150.0 2.256 2.857 2.245 0.000 0.026 0.000 3/25272 160.0 2.107 2.670 2.090 0.000 0.024 0.000 3/25272 170.0 1.978 2.507 1.955 0.000 0.023 0.000 3/25272 180.0 1.863 2.366 1.837 0.000 0.021 0.000 3/25272 190.0 1.762 2.241 1.732 0.000 0.020 0.000 3/25272 200.0 1.671 2.131 1.639 0.000 0.019 0.000 3/25272 210.0 1.589 2.033 1.555 0.000 0.018 0.000 3/25272 220.0 1.515 1.945 1.480 0.000 0.017 0.000 3/25272 230.0 1.447 1.865 1.412 0.000 0.017 0.000 3/25272 240.0 1.386 1.794 1.349 0.000 0.016 0.000 3/25272 250.0 1.329 1.728 1.292 0.000 0.015 0.000 3/25272 260.0 1.277 1.668 1.239 0.000 0.015 0.000 3/25272 270.0 1.229 1.613 1.191 0.000 0.014 0.000 3/25272 280.0 1.185 1.562 1.146 0.000 0.014 0.000 3/25272 290.0 1.143 1.515 1.105 0.000 0.013 0.000 3/25272 300.0 1.104 1.471 1.066 0.000 0.013 0.000 3/25272 310.0 1.068 1.430 1.030 0.000 0.012 0.000 3/25272 320.0 1.035 1.392 0.996 0.000 0.012 0.000 3/25272 330.0 1.003 1.356 0.964 0.000 0.012 0.000 3/25272 340.0 0.973 1.323 0.935 0.000 0.011 0.000 3/25272 350.0 0.945 1.291 0.907 0.000 0.011 0.000 3/25272 360.0 0.918 1.261 0.880 0.000 0.011 0.000 3/25272 370.0 0.893 1.232 0.856 0.000 0.010 0.000 3/25272 380.0 0.870 1.205 0.832 0.000 0.010 0.000 3/25272 390.0 0.847 1.179 0.810 0.000 0.010 0.000 3/25272 400.0 0.826 1.155 0.789 0.000 0.010 0.000 3/25272 410.0 0.806 1.131 0.769 0.000 0.009 0.000 3/25272 420.0 0.786 1.109 0.750 0.000 0.009 0.000 3/25272 430.0 0.768 1.087 0.732 0.000 0.009 0.000 3/25272 440.0 0.750 1.066 0.714 0.000 0.009 0.000 3/25272 450.0 0.733 1.047 0.698 0.000 0.009 0.000 3/25272 460.0 0.717 1.028 0.682 0.000 0.008 0.000 3/25272 470.0 0.702 1.009 0.667 0.000 0.008 0.000 3/25272 480.0 0.687 0.992 0.653 0.000 0.008 0.000 3/25272 490.0 0.673 0.975 0.639 0.000 0.008 0.000 3/25272 500.0 0.660 0.958 0.626 0.000 0.008 0.000 3/25272 510.0 0.647 0.942 0.613 0.000 0.008 0.000 3/25272 520.0 0.634 0.927 0.601 0.000 0.008 0.000 3/25272 530.0 0.622 0.912 0.590 0.000 0.007 0.000 3/25272 540.0 0.611 0.898 0.578 0.000 0.007 0.000 3/25272 550.0 0.600 0.884 0.568 0.000 0.007 0.000 3/25272 560.0 0.589 0.870 0.557 0.000 0.007 0.000 3/25272 570.0 0.578 0.857 0.547 0.000 0.007 0.000 3/25272 580.0 0.568 0.845 0.537 0.000 0.007 0.000 3/25272 590.0 0.559 0.832 0.528 0.000 0.007 0.000 3/25272 600.0 0.549 0.820 0.519 0.000 0.007 0.000 3/25272 610.0 0.540 0.809 0.510 0.000 0.006 0.000 3/25272 620.0 0.532 0.798 0.502 0.000 0.006 0.000 3/25272 630.0 0.523 0.787 0.494 0.000 0.006 0.000 3/25272 640.0 0.515 0.776 0.486 0.000 0.006 0.000 3/25272 650.0 0.507 0.766 0.478 0.000 0.006 0.000 3/25272 660.0 0.499 0.756 0.471 0.000 0.006 0.000 3/25272 670.0 0.492 0.746 0.464 0.000 0.006 0.000 3/25272 680.0 0.485 0.736 0.457 0.000 0.006 0.000 3/25272 690.0 0.478 0.727 0.450 0.000 0.006 0.000 3/25272 700.0 0.471 0.718 0.443 0.000 0.006 0.000 3/25272 710.0 0.464 0.709 0.437 0.000 0.006 0.000 3/25272 720.0 0.458 0.701 0.431 0.000 0.006 0.000 3/25272 730.0 0.452 0.692 0.425 0.000 0.005 0.000 3/25272 740.0 0.445 0.684 0.419 0.000 0.005 0.000 3/25272 750.0 0.439 0.676 0.413 0.000 0.005 0.000 3/25272 760.0 0.434 0.668 0.408 0.000 0.005 0.000 3/25272 770.0 0.428 0.661 0.403 0.000 0.005 0.000 3/25272 780.0 0.423 0.653 0.397 0.000 0.005 0.000 3/25272 790.0 0.417 0.646 0.392 0.000 0.005 0.000 3/25272 800.0 0.412 0.639 0.387 0.000 0.005 0.000 3/25272 810.0 0.407 0.632 0.382 0.000 0.005 0.000 3/25272 820.0 0.402 0.626 0.378 0.000 0.005 0.000 3/25272 830.0 0.397 0.619 0.373 0.000 0.005 0.000 3/25272 840.0 0.392 0.612 0.369 0.000 0.005 0.000 3/25272 850.0 0.388 0.606 0.364 0.000 0.005 0.000 3/25272 860.0 0.383 0.600 0.360 0.000 0.005 0.000 3/25272 870.0 0.379 0.594 0.356 0.000 0.005 0.000 3/25272 880.0 0.375 0.588 0.352 0.000 0.005 0.000 3/25272 890.0 0.370 0.582 0.348 0.000 0.004 0.000 3/25272 900.0 0.366 0.576 0.344 0.000 0.004 0.000 3/25272 910.0 0.362 0.571 0.340 0.000 0.004 0.000 3/25272 920.0 0.358 0.565 0.336 0.000 0.004 0.000 3/25272 930.0 0.354 0.560 0.333 0.000 0.004 0.000 3/25272 940.0 0.351 0.555 0.329 0.000 0.004 0.000 3/25272 950.0 0.347 0.550 0.325 0.000 0.004 0.000 3/25272 960.0 0.343 0.545 0.322 0.000 0.004 0.000 3/25272 970.0 0.340 0.540 0.319 0.000 0.004 0.000 3/25272 980.0 0.336 0.535 0.315 0.000 0.004 0.000 3/25272 990.0 0.333 0.530 0.312 0.000 0.004 0.000 3/25272 1000.0 0.330 0.526 0.309 0.000 0.004 0.000 3/25272 Thermal conductivity related properties were written into "kappa-m13129.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:39:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|