----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:02:34]------------------------- 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 4 3] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 144 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.841103548329987 0.000000000000000 0.000000000000000 b 0.000000000000000 3.808271200000001 0.000000000000000 c -0.913030175398844 0.000000000000000 5.296361640578248 Atomic positions (fractional): *1 Ag 0.33480057879644 0.75000000000000 0.79681991573358 107.868 2 Ag 0.66519942120356 0.25000000000000 0.20318008426642 107.868 *3 Cl 0.80842681098175 0.25000000000000 0.72797775240640 35.453 4 Cl 0.19157318901825 0.75000000000000 0.27202224759360 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.841103548329987 0.000000000000000 0.000000000000000 b 0.000000000000000 3.808271200000001 0.000000000000000 c -0.913030175398844 0.000000000000000 5.296361640578248 Atomic positions (fractional): *1 Ag 0.33480057879644 0.75000000000000 0.79681991573358 107.868 > 1 2 Ag 0.66519942120356 0.25000000000000 0.20318008426642 107.868 > 2 *3 Cl 0.80842681098175 0.25000000000000 0.72797775240640 35.453 > 3 4 Cl 0.19157318901825 0.75000000000000 0.27202224759360 35.453 > 4 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.523310644989962 0.000000000000000 0.000000000000000 b 0.000000000000000 15.233084800000004 0.000000000000000 c -2.739090526196532 0.000000000000000 15.889084921734746 Atomic positions (fractional): *1 Ag 0.11160019293215 0.18750000000000 0.26560663857786 107.868 > 1 2 Ag 0.44493352626548 0.18750000000000 0.26560663857786 107.868 > 1 3 Ag 0.77826685959881 0.18750000000000 0.26560663857786 107.868 > 1 4 Ag 0.11160019293215 0.43750000000000 0.26560663857786 107.868 > 1 5 Ag 0.44493352626548 0.43750000000000 0.26560663857786 107.868 > 1 6 Ag 0.77826685959881 0.43750000000000 0.26560663857786 107.868 > 1 7 Ag 0.11160019293215 0.68750000000000 0.26560663857786 107.868 > 1 8 Ag 0.44493352626548 0.68750000000000 0.26560663857786 107.868 > 1 9 Ag 0.77826685959881 0.68750000000000 0.26560663857786 107.868 > 1 10 Ag 0.11160019293215 0.93750000000000 0.26560663857786 107.868 > 1 11 Ag 0.44493352626548 0.93750000000000 0.26560663857786 107.868 > 1 12 Ag 0.77826685959881 0.93750000000000 0.26560663857786 107.868 > 1 13 Ag 0.11160019293215 0.18750000000000 0.59893997191119 107.868 > 1 14 Ag 0.44493352626548 0.18750000000000 0.59893997191119 107.868 > 1 15 Ag 0.77826685959881 0.18750000000000 0.59893997191119 107.868 > 1 16 Ag 0.11160019293215 0.43750000000000 0.59893997191119 107.868 > 1 17 Ag 0.44493352626548 0.43750000000000 0.59893997191119 107.868 > 1 18 Ag 0.77826685959881 0.43750000000000 0.59893997191119 107.868 > 1 19 Ag 0.11160019293215 0.68750000000000 0.59893997191119 107.868 > 1 20 Ag 0.44493352626548 0.68750000000000 0.59893997191119 107.868 > 1 21 Ag 0.77826685959881 0.68750000000000 0.59893997191119 107.868 > 1 22 Ag 0.11160019293215 0.93750000000000 0.59893997191119 107.868 > 1 23 Ag 0.44493352626548 0.93750000000000 0.59893997191119 107.868 > 1 24 Ag 0.77826685959881 0.93750000000000 0.59893997191119 107.868 > 1 25 Ag 0.11160019293215 0.18750000000000 0.93227330524453 107.868 > 1 26 Ag 0.44493352626548 0.18750000000000 0.93227330524453 107.868 > 1 27 Ag 0.77826685959881 0.18750000000000 0.93227330524453 107.868 > 1 28 Ag 0.11160019293215 0.43750000000000 0.93227330524453 107.868 > 1 29 Ag 0.44493352626548 0.43750000000000 0.93227330524453 107.868 > 1 30 Ag 0.77826685959881 0.43750000000000 0.93227330524453 107.868 > 1 31 Ag 0.11160019293215 0.68750000000000 0.93227330524453 107.868 > 1 32 Ag 0.44493352626548 0.68750000000000 0.93227330524453 107.868 > 1 33 Ag 0.77826685959881 0.68750000000000 0.93227330524453 107.868 > 1 34 Ag 0.11160019293215 0.93750000000000 0.93227330524453 107.868 > 1 35 Ag 0.44493352626548 0.93750000000000 0.93227330524453 107.868 > 1 36 Ag 0.77826685959881 0.93750000000000 0.93227330524453 107.868 > 1 37 Ag 0.22173314040119 0.06250000000000 0.06772669475547 107.868 > 2 38 Ag 0.55506647373452 0.06250000000000 0.06772669475547 107.868 > 2 39 Ag 0.88839980706785 0.06250000000000 0.06772669475547 107.868 > 2 40 Ag 0.22173314040119 0.31250000000000 0.06772669475547 107.868 > 2 41 Ag 0.55506647373452 0.31250000000000 0.06772669475547 107.868 > 2 42 Ag 0.88839980706785 0.31250000000000 0.06772669475547 107.868 > 2 43 Ag 0.22173314040119 0.56250000000000 0.06772669475547 107.868 > 2 44 Ag 0.55506647373452 0.56250000000000 0.06772669475547 107.868 > 2 45 Ag 0.88839980706785 0.56250000000000 0.06772669475547 107.868 > 2 46 Ag 0.22173314040119 0.81250000000000 0.06772669475547 107.868 > 2 47 Ag 0.55506647373452 0.81250000000000 0.06772669475547 107.868 > 2 48 Ag 0.88839980706785 0.81250000000000 0.06772669475547 107.868 > 2 49 Ag 0.22173314040119 0.06250000000000 0.40106002808881 107.868 > 2 50 Ag 0.55506647373452 0.06250000000000 0.40106002808881 107.868 > 2 51 Ag 0.88839980706785 0.06250000000000 0.40106002808881 107.868 > 2 52 Ag 0.22173314040119 0.31250000000000 0.40106002808881 107.868 > 2 53 Ag 0.55506647373452 0.31250000000000 0.40106002808881 107.868 > 2 54 Ag 0.88839980706785 0.31250000000000 0.40106002808881 107.868 > 2 55 Ag 0.22173314040119 0.56250000000000 0.40106002808881 107.868 > 2 56 Ag 0.55506647373452 0.56250000000000 0.40106002808881 107.868 > 2 57 Ag 0.88839980706785 0.56250000000000 0.40106002808881 107.868 > 2 58 Ag 0.22173314040119 0.81250000000000 0.40106002808881 107.868 > 2 59 Ag 0.55506647373452 0.81250000000000 0.40106002808881 107.868 > 2 60 Ag 0.88839980706785 0.81250000000000 0.40106002808881 107.868 > 2 61 Ag 0.22173314040119 0.06250000000000 0.73439336142214 107.868 > 2 62 Ag 0.55506647373452 0.06250000000000 0.73439336142214 107.868 > 2 63 Ag 0.88839980706785 0.06250000000000 0.73439336142214 107.868 > 2 64 Ag 0.22173314040119 0.31250000000000 0.73439336142214 107.868 > 2 65 Ag 0.55506647373452 0.31250000000000 0.73439336142214 107.868 > 2 66 Ag 0.88839980706785 0.31250000000000 0.73439336142214 107.868 > 2 67 Ag 0.22173314040119 0.56250000000000 0.73439336142214 107.868 > 2 68 Ag 0.55506647373452 0.56250000000000 0.73439336142214 107.868 > 2 69 Ag 0.88839980706785 0.56250000000000 0.73439336142214 107.868 > 2 70 Ag 0.22173314040119 0.81250000000000 0.73439336142214 107.868 > 2 71 Ag 0.55506647373452 0.81250000000000 0.73439336142214 107.868 > 2 72 Ag 0.88839980706785 0.81250000000000 0.73439336142214 107.868 > 2 *73 Cl 0.26947560366058 0.06250000000000 0.24265925080213 35.453 > 3 74 Cl 0.60280893699392 0.06250000000000 0.24265925080213 35.453 > 3 75 Cl 0.93614227032725 0.06250000000000 0.24265925080213 35.453 > 3 76 Cl 0.26947560366058 0.31250000000000 0.24265925080213 35.453 > 3 77 Cl 0.60280893699392 0.31250000000000 0.24265925080213 35.453 > 3 78 Cl 0.93614227032725 0.31250000000000 0.24265925080213 35.453 > 3 79 Cl 0.26947560366058 0.56250000000000 0.24265925080213 35.453 > 3 80 Cl 0.60280893699392 0.56250000000000 0.24265925080213 35.453 > 3 81 Cl 0.93614227032725 0.56250000000000 0.24265925080213 35.453 > 3 82 Cl 0.26947560366058 0.81250000000000 0.24265925080213 35.453 > 3 83 Cl 0.60280893699392 0.81250000000000 0.24265925080213 35.453 > 3 84 Cl 0.93614227032725 0.81250000000000 0.24265925080213 35.453 > 3 85 Cl 0.26947560366058 0.06250000000000 0.57599258413547 35.453 > 3 86 Cl 0.60280893699392 0.06250000000000 0.57599258413547 35.453 > 3 87 Cl 0.93614227032725 0.06250000000000 0.57599258413547 35.453 > 3 88 Cl 0.26947560366058 0.31250000000000 0.57599258413547 35.453 > 3 89 Cl 0.60280893699392 0.31250000000000 0.57599258413547 35.453 > 3 90 Cl 0.93614227032725 0.31250000000000 0.57599258413547 35.453 > 3 91 Cl 0.26947560366058 0.56250000000000 0.57599258413547 35.453 > 3 92 Cl 0.60280893699392 0.56250000000000 0.57599258413547 35.453 > 3 93 Cl 0.93614227032725 0.56250000000000 0.57599258413547 35.453 > 3 94 Cl 0.26947560366058 0.81250000000000 0.57599258413547 35.453 > 3 95 Cl 0.60280893699392 0.81250000000000 0.57599258413547 35.453 > 3 96 Cl 0.93614227032725 0.81250000000000 0.57599258413547 35.453 > 3 97 Cl 0.26947560366058 0.06250000000000 0.90932591746880 35.453 > 3 98 Cl 0.60280893699392 0.06250000000000 0.90932591746880 35.453 > 3 99 Cl 0.93614227032725 0.06250000000000 0.90932591746880 35.453 > 3 100 Cl 0.26947560366058 0.31250000000000 0.90932591746880 35.453 > 3 101 Cl 0.60280893699392 0.31250000000000 0.90932591746880 35.453 > 3 102 Cl 0.93614227032725 0.31250000000000 0.90932591746880 35.453 > 3 103 Cl 0.26947560366058 0.56250000000000 0.90932591746880 35.453 > 3 104 Cl 0.60280893699392 0.56250000000000 0.90932591746880 35.453 > 3 105 Cl 0.93614227032725 0.56250000000000 0.90932591746880 35.453 > 3 106 Cl 0.26947560366058 0.81250000000000 0.90932591746880 35.453 > 3 107 Cl 0.60280893699392 0.81250000000000 0.90932591746880 35.453 > 3 108 Cl 0.93614227032725 0.81250000000000 0.90932591746880 35.453 > 3 109 Cl 0.06385772967275 0.18750000000000 0.09067408253120 35.453 > 4 110 Cl 0.39719106300608 0.18750000000000 0.09067408253120 35.453 > 4 111 Cl 0.73052439633942 0.18750000000000 0.09067408253120 35.453 > 4 112 Cl 0.06385772967275 0.43750000000000 0.09067408253120 35.453 > 4 113 Cl 0.39719106300608 0.43750000000000 0.09067408253120 35.453 > 4 114 Cl 0.73052439633942 0.43750000000000 0.09067408253120 35.453 > 4 115 Cl 0.06385772967275 0.68750000000000 0.09067408253120 35.453 > 4 116 Cl 0.39719106300608 0.68750000000000 0.09067408253120 35.453 > 4 117 Cl 0.73052439633942 0.68750000000000 0.09067408253120 35.453 > 4 118 Cl 0.06385772967275 0.93750000000000 0.09067408253120 35.453 > 4 119 Cl 0.39719106300608 0.93750000000000 0.09067408253120 35.453 > 4 120 Cl 0.73052439633942 0.93750000000000 0.09067408253120 35.453 > 4 121 Cl 0.06385772967275 0.18750000000000 0.42400741586453 35.453 > 4 122 Cl 0.39719106300608 0.18750000000000 0.42400741586453 35.453 > 4 123 Cl 0.73052439633942 0.18750000000000 0.42400741586453 35.453 > 4 124 Cl 0.06385772967275 0.43750000000000 0.42400741586453 35.453 > 4 125 Cl 0.39719106300608 0.43750000000000 0.42400741586453 35.453 > 4 126 Cl 0.73052439633942 0.43750000000000 0.42400741586453 35.453 > 4 127 Cl 0.06385772967275 0.68750000000000 0.42400741586453 35.453 > 4 128 Cl 0.39719106300608 0.68750000000000 0.42400741586453 35.453 > 4 129 Cl 0.73052439633942 0.68750000000000 0.42400741586453 35.453 > 4 130 Cl 0.06385772967275 0.93750000000000 0.42400741586453 35.453 > 4 131 Cl 0.39719106300608 0.93750000000000 0.42400741586453 35.453 > 4 132 Cl 0.73052439633942 0.93750000000000 0.42400741586453 35.453 > 4 133 Cl 0.06385772967275 0.18750000000000 0.75734074919787 35.453 > 4 134 Cl 0.39719106300608 0.18750000000000 0.75734074919787 35.453 > 4 135 Cl 0.73052439633942 0.18750000000000 0.75734074919787 35.453 > 4 136 Cl 0.06385772967275 0.43750000000000 0.75734074919787 35.453 > 4 137 Cl 0.39719106300608 0.43750000000000 0.75734074919787 35.453 > 4 138 Cl 0.73052439633942 0.43750000000000 0.75734074919787 35.453 > 4 139 Cl 0.06385772967275 0.68750000000000 0.75734074919787 35.453 > 4 140 Cl 0.39719106300608 0.68750000000000 0.75734074919787 35.453 > 4 141 Cl 0.73052439633942 0.68750000000000 0.75734074919787 35.453 > 4 142 Cl 0.06385772967275 0.93750000000000 0.75734074919787 35.453 > 4 143 Cl 0.39719106300608 0.93750000000000 0.75734074919787 35.453 > 4 144 Cl 0.73052439633942 0.93750000000000 0.75734074919787 35.453 > 4 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0149090 0.0000000 -0.3107126 0.0000000 5.8605265 0.0000000 -0.3107125 0.0000000 5.7117004 -------------------------- Born effective charges -------------------------- 1 Ag 1.4977541 0.0000000 -0.1072185 0.0000000 1.4193521 0.0000000 -0.1040046 0.0000000 1.3875218 2 Ag 1.4977541 0.0000000 -0.1072185 0.0000000 1.4193521 0.0000000 -0.1040046 0.0000000 1.3875218 3 Cl -1.4977541 0.0000000 0.1072185 0.0000000 -1.4193521 0.0000000 0.1040046 0.0000000 -1.3875218 4 Cl -1.4977541 0.0000000 0.1072185 0.0000000 -1.4193521 0.0000000 0.1040046 0.0000000 -1.3875218 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 3216/3216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 729 Number of blocks in projector: 729 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: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 111 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 111 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 111 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (729, 720), data: False |-- (108, 108), data: True |-- (108, 108), data: True |-- (111, 109), data: True |-- (111, 109), data: True |-- (111, 109), data: True |-- (180, 177), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.930 Solver_block: 160 / 160 - Time: 0.594 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.543 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 3216/3216 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 729 Number of blocks in projector: 729 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: 180 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 111 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 111 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 111 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 108 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 108 Use standard eigh solver. Tree of FC basis block matrices: - (729, 720), data: False |-- (108, 108), data: True |-- (108, 108), data: True |-- (111, 109), data: True |-- (111, 109), data: True |-- (111, 109), data: True |-- (180, 177), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:02:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:02:45]------------------------- 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 4 3] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.841103548329987 0.000000000000000 0.000000000000000 b 0.000000000000000 3.808271200000001 0.000000000000000 c -0.913030175398844 0.000000000000000 5.296361640578248 Atomic positions (fractional): 1 Ag 0.33480057879644 0.75000000000000 0.79681991573358 107.868 2 Ag 0.66519942120356 0.25000000000000 0.20318008426642 107.868 3 Cl 0.80842681098175 0.25000000000000 0.72797775240640 35.453 4 Cl 0.19157318901825 0.75000000000000 0.27202224759360 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.523310644989962 0.000000000000000 0.000000000000000 b 0.000000000000000 15.233084800000004 0.000000000000000 c -2.739090526196532 0.000000000000000 15.889084921734746 Atomic positions (fractional): 1 Ag 0.11160019293215 0.18750000000000 0.26560663857786 107.868 > 1 2 Ag 0.44493352626548 0.18750000000000 0.26560663857786 107.868 > 1 3 Ag 0.77826685959881 0.18750000000000 0.26560663857786 107.868 > 1 4 Ag 0.11160019293215 0.43750000000000 0.26560663857786 107.868 > 1 5 Ag 0.44493352626548 0.43750000000000 0.26560663857786 107.868 > 1 6 Ag 0.77826685959881 0.43750000000000 0.26560663857786 107.868 > 1 7 Ag 0.11160019293215 0.68750000000000 0.26560663857786 107.868 > 1 8 Ag 0.44493352626548 0.68750000000000 0.26560663857786 107.868 > 1 9 Ag 0.77826685959881 0.68750000000000 0.26560663857786 107.868 > 1 10 Ag 0.11160019293215 0.93750000000000 0.26560663857786 107.868 > 1 11 Ag 0.44493352626548 0.93750000000000 0.26560663857786 107.868 > 1 12 Ag 0.77826685959881 0.93750000000000 0.26560663857786 107.868 > 1 13 Ag 0.11160019293215 0.18750000000000 0.59893997191119 107.868 > 1 14 Ag 0.44493352626548 0.18750000000000 0.59893997191119 107.868 > 1 15 Ag 0.77826685959881 0.18750000000000 0.59893997191119 107.868 > 1 16 Ag 0.11160019293215 0.43750000000000 0.59893997191119 107.868 > 1 17 Ag 0.44493352626548 0.43750000000000 0.59893997191119 107.868 > 1 18 Ag 0.77826685959881 0.43750000000000 0.59893997191119 107.868 > 1 19 Ag 0.11160019293215 0.68750000000000 0.59893997191119 107.868 > 1 20 Ag 0.44493352626548 0.68750000000000 0.59893997191119 107.868 > 1 21 Ag 0.77826685959881 0.68750000000000 0.59893997191119 107.868 > 1 22 Ag 0.11160019293215 0.93750000000000 0.59893997191119 107.868 > 1 23 Ag 0.44493352626548 0.93750000000000 0.59893997191119 107.868 > 1 24 Ag 0.77826685959881 0.93750000000000 0.59893997191119 107.868 > 1 25 Ag 0.11160019293215 0.18750000000000 0.93227330524453 107.868 > 1 26 Ag 0.44493352626548 0.18750000000000 0.93227330524453 107.868 > 1 27 Ag 0.77826685959881 0.18750000000000 0.93227330524453 107.868 > 1 28 Ag 0.11160019293215 0.43750000000000 0.93227330524453 107.868 > 1 29 Ag 0.44493352626548 0.43750000000000 0.93227330524453 107.868 > 1 30 Ag 0.77826685959881 0.43750000000000 0.93227330524453 107.868 > 1 31 Ag 0.11160019293215 0.68750000000000 0.93227330524453 107.868 > 1 32 Ag 0.44493352626548 0.68750000000000 0.93227330524453 107.868 > 1 33 Ag 0.77826685959881 0.68750000000000 0.93227330524453 107.868 > 1 34 Ag 0.11160019293215 0.93750000000000 0.93227330524453 107.868 > 1 35 Ag 0.44493352626548 0.93750000000000 0.93227330524453 107.868 > 1 36 Ag 0.77826685959881 0.93750000000000 0.93227330524453 107.868 > 1 37 Ag 0.22173314040119 0.06250000000000 0.06772669475547 107.868 > 37 38 Ag 0.55506647373452 0.06250000000000 0.06772669475547 107.868 > 37 39 Ag 0.88839980706785 0.06250000000000 0.06772669475547 107.868 > 37 40 Ag 0.22173314040119 0.31250000000000 0.06772669475547 107.868 > 37 41 Ag 0.55506647373452 0.31250000000000 0.06772669475547 107.868 > 37 42 Ag 0.88839980706785 0.31250000000000 0.06772669475547 107.868 > 37 43 Ag 0.22173314040119 0.56250000000000 0.06772669475547 107.868 > 37 44 Ag 0.55506647373452 0.56250000000000 0.06772669475547 107.868 > 37 45 Ag 0.88839980706785 0.56250000000000 0.06772669475547 107.868 > 37 46 Ag 0.22173314040119 0.81250000000000 0.06772669475547 107.868 > 37 47 Ag 0.55506647373452 0.81250000000000 0.06772669475547 107.868 > 37 48 Ag 0.88839980706785 0.81250000000000 0.06772669475547 107.868 > 37 49 Ag 0.22173314040119 0.06250000000000 0.40106002808881 107.868 > 37 50 Ag 0.55506647373452 0.06250000000000 0.40106002808881 107.868 > 37 51 Ag 0.88839980706785 0.06250000000000 0.40106002808881 107.868 > 37 52 Ag 0.22173314040119 0.31250000000000 0.40106002808881 107.868 > 37 53 Ag 0.55506647373452 0.31250000000000 0.40106002808881 107.868 > 37 54 Ag 0.88839980706785 0.31250000000000 0.40106002808881 107.868 > 37 55 Ag 0.22173314040119 0.56250000000000 0.40106002808881 107.868 > 37 56 Ag 0.55506647373452 0.56250000000000 0.40106002808881 107.868 > 37 57 Ag 0.88839980706785 0.56250000000000 0.40106002808881 107.868 > 37 58 Ag 0.22173314040119 0.81250000000000 0.40106002808881 107.868 > 37 59 Ag 0.55506647373452 0.81250000000000 0.40106002808881 107.868 > 37 60 Ag 0.88839980706785 0.81250000000000 0.40106002808881 107.868 > 37 61 Ag 0.22173314040119 0.06250000000000 0.73439336142214 107.868 > 37 62 Ag 0.55506647373452 0.06250000000000 0.73439336142214 107.868 > 37 63 Ag 0.88839980706785 0.06250000000000 0.73439336142214 107.868 > 37 64 Ag 0.22173314040119 0.31250000000000 0.73439336142214 107.868 > 37 65 Ag 0.55506647373452 0.31250000000000 0.73439336142214 107.868 > 37 66 Ag 0.88839980706785 0.31250000000000 0.73439336142214 107.868 > 37 67 Ag 0.22173314040119 0.56250000000000 0.73439336142214 107.868 > 37 68 Ag 0.55506647373452 0.56250000000000 0.73439336142214 107.868 > 37 69 Ag 0.88839980706785 0.56250000000000 0.73439336142214 107.868 > 37 70 Ag 0.22173314040119 0.81250000000000 0.73439336142214 107.868 > 37 71 Ag 0.55506647373452 0.81250000000000 0.73439336142214 107.868 > 37 72 Ag 0.88839980706785 0.81250000000000 0.73439336142214 107.868 > 37 73 Cl 0.26947560366058 0.06250000000000 0.24265925080213 35.453 > 73 74 Cl 0.60280893699392 0.06250000000000 0.24265925080213 35.453 > 73 75 Cl 0.93614227032725 0.06250000000000 0.24265925080213 35.453 > 73 76 Cl 0.26947560366058 0.31250000000000 0.24265925080213 35.453 > 73 77 Cl 0.60280893699392 0.31250000000000 0.24265925080213 35.453 > 73 78 Cl 0.93614227032725 0.31250000000000 0.24265925080213 35.453 > 73 79 Cl 0.26947560366058 0.56250000000000 0.24265925080213 35.453 > 73 80 Cl 0.60280893699392 0.56250000000000 0.24265925080213 35.453 > 73 81 Cl 0.93614227032725 0.56250000000000 0.24265925080213 35.453 > 73 82 Cl 0.26947560366058 0.81250000000000 0.24265925080213 35.453 > 73 83 Cl 0.60280893699392 0.81250000000000 0.24265925080213 35.453 > 73 84 Cl 0.93614227032725 0.81250000000000 0.24265925080213 35.453 > 73 85 Cl 0.26947560366058 0.06250000000000 0.57599258413547 35.453 > 73 86 Cl 0.60280893699392 0.06250000000000 0.57599258413547 35.453 > 73 87 Cl 0.93614227032725 0.06250000000000 0.57599258413547 35.453 > 73 88 Cl 0.26947560366058 0.31250000000000 0.57599258413547 35.453 > 73 89 Cl 0.60280893699392 0.31250000000000 0.57599258413547 35.453 > 73 90 Cl 0.93614227032725 0.31250000000000 0.57599258413547 35.453 > 73 91 Cl 0.26947560366058 0.56250000000000 0.57599258413547 35.453 > 73 92 Cl 0.60280893699392 0.56250000000000 0.57599258413547 35.453 > 73 93 Cl 0.93614227032725 0.56250000000000 0.57599258413547 35.453 > 73 94 Cl 0.26947560366058 0.81250000000000 0.57599258413547 35.453 > 73 95 Cl 0.60280893699392 0.81250000000000 0.57599258413547 35.453 > 73 96 Cl 0.93614227032725 0.81250000000000 0.57599258413547 35.453 > 73 97 Cl 0.26947560366058 0.06250000000000 0.90932591746880 35.453 > 73 98 Cl 0.60280893699392 0.06250000000000 0.90932591746880 35.453 > 73 99 Cl 0.93614227032725 0.06250000000000 0.90932591746880 35.453 > 73 100 Cl 0.26947560366058 0.31250000000000 0.90932591746880 35.453 > 73 101 Cl 0.60280893699392 0.31250000000000 0.90932591746880 35.453 > 73 102 Cl 0.93614227032725 0.31250000000000 0.90932591746880 35.453 > 73 103 Cl 0.26947560366058 0.56250000000000 0.90932591746880 35.453 > 73 104 Cl 0.60280893699392 0.56250000000000 0.90932591746880 35.453 > 73 105 Cl 0.93614227032725 0.56250000000000 0.90932591746880 35.453 > 73 106 Cl 0.26947560366058 0.81250000000000 0.90932591746880 35.453 > 73 107 Cl 0.60280893699392 0.81250000000000 0.90932591746880 35.453 > 73 108 Cl 0.93614227032725 0.81250000000000 0.90932591746880 35.453 > 73 109 Cl 0.06385772967275 0.18750000000000 0.09067408253120 35.453 > 109 110 Cl 0.39719106300608 0.18750000000000 0.09067408253120 35.453 > 109 111 Cl 0.73052439633942 0.18750000000000 0.09067408253120 35.453 > 109 112 Cl 0.06385772967275 0.43750000000000 0.09067408253120 35.453 > 109 113 Cl 0.39719106300608 0.43750000000000 0.09067408253120 35.453 > 109 114 Cl 0.73052439633942 0.43750000000000 0.09067408253120 35.453 > 109 115 Cl 0.06385772967275 0.68750000000000 0.09067408253120 35.453 > 109 116 Cl 0.39719106300608 0.68750000000000 0.09067408253120 35.453 > 109 117 Cl 0.73052439633942 0.68750000000000 0.09067408253120 35.453 > 109 118 Cl 0.06385772967275 0.93750000000000 0.09067408253120 35.453 > 109 119 Cl 0.39719106300608 0.93750000000000 0.09067408253120 35.453 > 109 120 Cl 0.73052439633942 0.93750000000000 0.09067408253120 35.453 > 109 121 Cl 0.06385772967275 0.18750000000000 0.42400741586453 35.453 > 109 122 Cl 0.39719106300608 0.18750000000000 0.42400741586453 35.453 > 109 123 Cl 0.73052439633942 0.18750000000000 0.42400741586453 35.453 > 109 124 Cl 0.06385772967275 0.43750000000000 0.42400741586453 35.453 > 109 125 Cl 0.39719106300608 0.43750000000000 0.42400741586453 35.453 > 109 126 Cl 0.73052439633942 0.43750000000000 0.42400741586453 35.453 > 109 127 Cl 0.06385772967275 0.68750000000000 0.42400741586453 35.453 > 109 128 Cl 0.39719106300608 0.68750000000000 0.42400741586453 35.453 > 109 129 Cl 0.73052439633942 0.68750000000000 0.42400741586453 35.453 > 109 130 Cl 0.06385772967275 0.93750000000000 0.42400741586453 35.453 > 109 131 Cl 0.39719106300608 0.93750000000000 0.42400741586453 35.453 > 109 132 Cl 0.73052439633942 0.93750000000000 0.42400741586453 35.453 > 109 133 Cl 0.06385772967275 0.18750000000000 0.75734074919787 35.453 > 109 134 Cl 0.39719106300608 0.18750000000000 0.75734074919787 35.453 > 109 135 Cl 0.73052439633942 0.18750000000000 0.75734074919787 35.453 > 109 136 Cl 0.06385772967275 0.43750000000000 0.75734074919787 35.453 > 109 137 Cl 0.39719106300608 0.43750000000000 0.75734074919787 35.453 > 109 138 Cl 0.73052439633942 0.43750000000000 0.75734074919787 35.453 > 109 139 Cl 0.06385772967275 0.68750000000000 0.75734074919787 35.453 > 109 140 Cl 0.39719106300608 0.68750000000000 0.75734074919787 35.453 > 109 141 Cl 0.73052439633942 0.68750000000000 0.75734074919787 35.453 > 109 142 Cl 0.06385772967275 0.93750000000000 0.75734074919787 35.453 > 109 143 Cl 0.39719106300608 0.93750000000000 0.75734074919787 35.453 > 109 144 Cl 0.73052439633942 0.93750000000000 0.75734074919787 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.0149090 0.0000000 -0.3107126 0.0000000 5.8605265 0.0000000 -0.3107125 0.0000000 5.7117004 -------------------------- Born effective charges -------------------------- 1 Ag 1.4977541 0.0000000 -0.1072185 0.0000000 1.4193521 0.0000000 -0.1040046 0.0000000 1.3875218 2 Ag 1.4977541 0.0000000 -0.1072185 0.0000000 1.4193521 0.0000000 -0.1040046 0.0000000 1.3875218 3 Cl -1.4977541 0.0000000 0.1072185 0.0000000 -1.4193521 0.0000000 0.1040046 0.0000000 -1.3875218 4 Cl -1.4977541 0.0000000 0.1072185 0.0000000 -1.4193521 0.0000000 0.1040046 0.0000000 -1.3875218 ---------------------------------------------------------------------------- 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] 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] [-0.0017 0.0000 0.0099] [ 0.0017 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 19:02:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:02:54]------------------------- 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 4 3] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.841103548329987 0.000000000000000 0.000000000000000 b 0.000000000000000 3.808271200000001 0.000000000000000 c -0.913030175398844 0.000000000000000 5.296361640578248 Atomic positions (fractional): 1 Ag 0.33480057879644 0.75000000000000 0.79681991573358 107.868 2 Ag 0.66519942120356 0.25000000000000 0.20318008426642 107.868 3 Cl 0.80842681098175 0.25000000000000 0.72797775240640 35.453 4 Cl 0.19157318901825 0.75000000000000 0.27202224759360 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.523310644989962 0.000000000000000 0.000000000000000 b 0.000000000000000 15.233084800000004 0.000000000000000 c -2.739090526196532 0.000000000000000 15.889084921734746 Atomic positions (fractional): 1 Ag 0.11160019293215 0.18750000000000 0.26560663857786 107.868 > 1 2 Ag 0.44493352626548 0.18750000000000 0.26560663857786 107.868 > 1 3 Ag 0.77826685959881 0.18750000000000 0.26560663857786 107.868 > 1 4 Ag 0.11160019293215 0.43750000000000 0.26560663857786 107.868 > 1 5 Ag 0.44493352626548 0.43750000000000 0.26560663857786 107.868 > 1 6 Ag 0.77826685959881 0.43750000000000 0.26560663857786 107.868 > 1 7 Ag 0.11160019293215 0.68750000000000 0.26560663857786 107.868 > 1 8 Ag 0.44493352626548 0.68750000000000 0.26560663857786 107.868 > 1 9 Ag 0.77826685959881 0.68750000000000 0.26560663857786 107.868 > 1 10 Ag 0.11160019293215 0.93750000000000 0.26560663857786 107.868 > 1 11 Ag 0.44493352626548 0.93750000000000 0.26560663857786 107.868 > 1 12 Ag 0.77826685959881 0.93750000000000 0.26560663857786 107.868 > 1 13 Ag 0.11160019293215 0.18750000000000 0.59893997191119 107.868 > 1 14 Ag 0.44493352626548 0.18750000000000 0.59893997191119 107.868 > 1 15 Ag 0.77826685959881 0.18750000000000 0.59893997191119 107.868 > 1 16 Ag 0.11160019293215 0.43750000000000 0.59893997191119 107.868 > 1 17 Ag 0.44493352626548 0.43750000000000 0.59893997191119 107.868 > 1 18 Ag 0.77826685959881 0.43750000000000 0.59893997191119 107.868 > 1 19 Ag 0.11160019293215 0.68750000000000 0.59893997191119 107.868 > 1 20 Ag 0.44493352626548 0.68750000000000 0.59893997191119 107.868 > 1 21 Ag 0.77826685959881 0.68750000000000 0.59893997191119 107.868 > 1 22 Ag 0.11160019293215 0.93750000000000 0.59893997191119 107.868 > 1 23 Ag 0.44493352626548 0.93750000000000 0.59893997191119 107.868 > 1 24 Ag 0.77826685959881 0.93750000000000 0.59893997191119 107.868 > 1 25 Ag 0.11160019293215 0.18750000000000 0.93227330524453 107.868 > 1 26 Ag 0.44493352626548 0.18750000000000 0.93227330524453 107.868 > 1 27 Ag 0.77826685959881 0.18750000000000 0.93227330524453 107.868 > 1 28 Ag 0.11160019293215 0.43750000000000 0.93227330524453 107.868 > 1 29 Ag 0.44493352626548 0.43750000000000 0.93227330524453 107.868 > 1 30 Ag 0.77826685959881 0.43750000000000 0.93227330524453 107.868 > 1 31 Ag 0.11160019293215 0.68750000000000 0.93227330524453 107.868 > 1 32 Ag 0.44493352626548 0.68750000000000 0.93227330524453 107.868 > 1 33 Ag 0.77826685959881 0.68750000000000 0.93227330524453 107.868 > 1 34 Ag 0.11160019293215 0.93750000000000 0.93227330524453 107.868 > 1 35 Ag 0.44493352626548 0.93750000000000 0.93227330524453 107.868 > 1 36 Ag 0.77826685959881 0.93750000000000 0.93227330524453 107.868 > 1 37 Ag 0.22173314040119 0.06250000000000 0.06772669475547 107.868 > 37 38 Ag 0.55506647373452 0.06250000000000 0.06772669475547 107.868 > 37 39 Ag 0.88839980706785 0.06250000000000 0.06772669475547 107.868 > 37 40 Ag 0.22173314040119 0.31250000000000 0.06772669475547 107.868 > 37 41 Ag 0.55506647373452 0.31250000000000 0.06772669475547 107.868 > 37 42 Ag 0.88839980706785 0.31250000000000 0.06772669475547 107.868 > 37 43 Ag 0.22173314040119 0.56250000000000 0.06772669475547 107.868 > 37 44 Ag 0.55506647373452 0.56250000000000 0.06772669475547 107.868 > 37 45 Ag 0.88839980706785 0.56250000000000 0.06772669475547 107.868 > 37 46 Ag 0.22173314040119 0.81250000000000 0.06772669475547 107.868 > 37 47 Ag 0.55506647373452 0.81250000000000 0.06772669475547 107.868 > 37 48 Ag 0.88839980706785 0.81250000000000 0.06772669475547 107.868 > 37 49 Ag 0.22173314040119 0.06250000000000 0.40106002808881 107.868 > 37 50 Ag 0.55506647373452 0.06250000000000 0.40106002808881 107.868 > 37 51 Ag 0.88839980706785 0.06250000000000 0.40106002808881 107.868 > 37 52 Ag 0.22173314040119 0.31250000000000 0.40106002808881 107.868 > 37 53 Ag 0.55506647373452 0.31250000000000 0.40106002808881 107.868 > 37 54 Ag 0.88839980706785 0.31250000000000 0.40106002808881 107.868 > 37 55 Ag 0.22173314040119 0.56250000000000 0.40106002808881 107.868 > 37 56 Ag 0.55506647373452 0.56250000000000 0.40106002808881 107.868 > 37 57 Ag 0.88839980706785 0.56250000000000 0.40106002808881 107.868 > 37 58 Ag 0.22173314040119 0.81250000000000 0.40106002808881 107.868 > 37 59 Ag 0.55506647373452 0.81250000000000 0.40106002808881 107.868 > 37 60 Ag 0.88839980706785 0.81250000000000 0.40106002808881 107.868 > 37 61 Ag 0.22173314040119 0.06250000000000 0.73439336142214 107.868 > 37 62 Ag 0.55506647373452 0.06250000000000 0.73439336142214 107.868 > 37 63 Ag 0.88839980706785 0.06250000000000 0.73439336142214 107.868 > 37 64 Ag 0.22173314040119 0.31250000000000 0.73439336142214 107.868 > 37 65 Ag 0.55506647373452 0.31250000000000 0.73439336142214 107.868 > 37 66 Ag 0.88839980706785 0.31250000000000 0.73439336142214 107.868 > 37 67 Ag 0.22173314040119 0.56250000000000 0.73439336142214 107.868 > 37 68 Ag 0.55506647373452 0.56250000000000 0.73439336142214 107.868 > 37 69 Ag 0.88839980706785 0.56250000000000 0.73439336142214 107.868 > 37 70 Ag 0.22173314040119 0.81250000000000 0.73439336142214 107.868 > 37 71 Ag 0.55506647373452 0.81250000000000 0.73439336142214 107.868 > 37 72 Ag 0.88839980706785 0.81250000000000 0.73439336142214 107.868 > 37 73 Cl 0.26947560366058 0.06250000000000 0.24265925080213 35.453 > 73 74 Cl 0.60280893699392 0.06250000000000 0.24265925080213 35.453 > 73 75 Cl 0.93614227032725 0.06250000000000 0.24265925080213 35.453 > 73 76 Cl 0.26947560366058 0.31250000000000 0.24265925080213 35.453 > 73 77 Cl 0.60280893699392 0.31250000000000 0.24265925080213 35.453 > 73 78 Cl 0.93614227032725 0.31250000000000 0.24265925080213 35.453 > 73 79 Cl 0.26947560366058 0.56250000000000 0.24265925080213 35.453 > 73 80 Cl 0.60280893699392 0.56250000000000 0.24265925080213 35.453 > 73 81 Cl 0.93614227032725 0.56250000000000 0.24265925080213 35.453 > 73 82 Cl 0.26947560366058 0.81250000000000 0.24265925080213 35.453 > 73 83 Cl 0.60280893699392 0.81250000000000 0.24265925080213 35.453 > 73 84 Cl 0.93614227032725 0.81250000000000 0.24265925080213 35.453 > 73 85 Cl 0.26947560366058 0.06250000000000 0.57599258413547 35.453 > 73 86 Cl 0.60280893699392 0.06250000000000 0.57599258413547 35.453 > 73 87 Cl 0.93614227032725 0.06250000000000 0.57599258413547 35.453 > 73 88 Cl 0.26947560366058 0.31250000000000 0.57599258413547 35.453 > 73 89 Cl 0.60280893699392 0.31250000000000 0.57599258413547 35.453 > 73 90 Cl 0.93614227032725 0.31250000000000 0.57599258413547 35.453 > 73 91 Cl 0.26947560366058 0.56250000000000 0.57599258413547 35.453 > 73 92 Cl 0.60280893699392 0.56250000000000 0.57599258413547 35.453 > 73 93 Cl 0.93614227032725 0.56250000000000 0.57599258413547 35.453 > 73 94 Cl 0.26947560366058 0.81250000000000 0.57599258413547 35.453 > 73 95 Cl 0.60280893699392 0.81250000000000 0.57599258413547 35.453 > 73 96 Cl 0.93614227032725 0.81250000000000 0.57599258413547 35.453 > 73 97 Cl 0.26947560366058 0.06250000000000 0.90932591746880 35.453 > 73 98 Cl 0.60280893699392 0.06250000000000 0.90932591746880 35.453 > 73 99 Cl 0.93614227032725 0.06250000000000 0.90932591746880 35.453 > 73 100 Cl 0.26947560366058 0.31250000000000 0.90932591746880 35.453 > 73 101 Cl 0.60280893699392 0.31250000000000 0.90932591746880 35.453 > 73 102 Cl 0.93614227032725 0.31250000000000 0.90932591746880 35.453 > 73 103 Cl 0.26947560366058 0.56250000000000 0.90932591746880 35.453 > 73 104 Cl 0.60280893699392 0.56250000000000 0.90932591746880 35.453 > 73 105 Cl 0.93614227032725 0.56250000000000 0.90932591746880 35.453 > 73 106 Cl 0.26947560366058 0.81250000000000 0.90932591746880 35.453 > 73 107 Cl 0.60280893699392 0.81250000000000 0.90932591746880 35.453 > 73 108 Cl 0.93614227032725 0.81250000000000 0.90932591746880 35.453 > 73 109 Cl 0.06385772967275 0.18750000000000 0.09067408253120 35.453 > 109 110 Cl 0.39719106300608 0.18750000000000 0.09067408253120 35.453 > 109 111 Cl 0.73052439633942 0.18750000000000 0.09067408253120 35.453 > 109 112 Cl 0.06385772967275 0.43750000000000 0.09067408253120 35.453 > 109 113 Cl 0.39719106300608 0.43750000000000 0.09067408253120 35.453 > 109 114 Cl 0.73052439633942 0.43750000000000 0.09067408253120 35.453 > 109 115 Cl 0.06385772967275 0.68750000000000 0.09067408253120 35.453 > 109 116 Cl 0.39719106300608 0.68750000000000 0.09067408253120 35.453 > 109 117 Cl 0.73052439633942 0.68750000000000 0.09067408253120 35.453 > 109 118 Cl 0.06385772967275 0.93750000000000 0.09067408253120 35.453 > 109 119 Cl 0.39719106300608 0.93750000000000 0.09067408253120 35.453 > 109 120 Cl 0.73052439633942 0.93750000000000 0.09067408253120 35.453 > 109 121 Cl 0.06385772967275 0.18750000000000 0.42400741586453 35.453 > 109 122 Cl 0.39719106300608 0.18750000000000 0.42400741586453 35.453 > 109 123 Cl 0.73052439633942 0.18750000000000 0.42400741586453 35.453 > 109 124 Cl 0.06385772967275 0.43750000000000 0.42400741586453 35.453 > 109 125 Cl 0.39719106300608 0.43750000000000 0.42400741586453 35.453 > 109 126 Cl 0.73052439633942 0.43750000000000 0.42400741586453 35.453 > 109 127 Cl 0.06385772967275 0.68750000000000 0.42400741586453 35.453 > 109 128 Cl 0.39719106300608 0.68750000000000 0.42400741586453 35.453 > 109 129 Cl 0.73052439633942 0.68750000000000 0.42400741586453 35.453 > 109 130 Cl 0.06385772967275 0.93750000000000 0.42400741586453 35.453 > 109 131 Cl 0.39719106300608 0.93750000000000 0.42400741586453 35.453 > 109 132 Cl 0.73052439633942 0.93750000000000 0.42400741586453 35.453 > 109 133 Cl 0.06385772967275 0.18750000000000 0.75734074919787 35.453 > 109 134 Cl 0.39719106300608 0.18750000000000 0.75734074919787 35.453 > 109 135 Cl 0.73052439633942 0.18750000000000 0.75734074919787 35.453 > 109 136 Cl 0.06385772967275 0.43750000000000 0.75734074919787 35.453 > 109 137 Cl 0.39719106300608 0.43750000000000 0.75734074919787 35.453 > 109 138 Cl 0.73052439633942 0.43750000000000 0.75734074919787 35.453 > 109 139 Cl 0.06385772967275 0.68750000000000 0.75734074919787 35.453 > 109 140 Cl 0.39719106300608 0.68750000000000 0.75734074919787 35.453 > 109 141 Cl 0.73052439633942 0.68750000000000 0.75734074919787 35.453 > 109 142 Cl 0.06385772967275 0.93750000000000 0.75734074919787 35.453 > 109 143 Cl 0.39719106300608 0.93750000000000 0.75734074919787 35.453 > 109 144 Cl 0.73052439633942 0.93750000000000 0.75734074919787 35.453 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.0149090 0.0000000 -0.3107126 0.0000000 5.8605265 0.0000000 -0.3107125 0.0000000 5.7117004 -------------------------- Born effective charges -------------------------- 1 Ag 1.4977541 0.0000000 -0.1072185 0.0000000 1.4193521 0.0000000 -0.1040046 0.0000000 1.3875218 2 Ag 1.4977541 0.0000000 -0.1072185 0.0000000 1.4193521 0.0000000 -0.1040046 0.0000000 1.3875218 3 Cl -1.4977541 0.0000000 0.1072185 0.0000000 -1.4193521 0.0000000 0.1040046 0.0000000 -1.3875218 4 Cl -1.4977541 0.0000000 0.1072185 0.0000000 -1.4193521 0.0000000 0.1040046 0.0000000 -1.3875218 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 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: 0.97, Number of G-points: 301, Lambda: 0.25 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: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 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 1.410 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 4.367 ( 0.000 0.000 0.000) 0.000 4.793 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 6.133 ( 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: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 13.047 0.000 2.764) 13.337 0.277 ( 13.646 0.000 1.736) 13.756 0.639 ( 31.748 0.000 -2.960) 31.885 1.487 ( 7.021 0.000 0.781) 7.065 1.533 ( 2.146 0.000 -0.796) 2.289 1.949 ( -0.480 0.000 1.912) 1.971 3.064 ( -4.325 0.000 66.318) 66.459 3.171 ( -5.814 0.000 0.502) 5.836 4.841 ( 4.880 0.000 -1.519) 5.111 4.918 ( -7.345 0.000 -0.437) 7.358 5.631 ( 7.076 0.000 -44.786) 45.341 6.120 ( -0.871 0.000 -2.215) 2.380 ======================= Grid point 2 (3/413) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 11.843 0.000 2.006) 12.011 0.561 ( 14.112 0.000 2.027) 14.257 1.230 ( 27.041 0.000 -1.838) 27.104 1.590 ( 3.948 0.000 -1.552) 4.242 1.661 ( 9.471 0.000 -1.404) 9.574 1.974 ( 3.008 0.000 4.515) 5.425 3.007 ( -10.457 0.000 0.999) 10.505 3.262 ( 5.874 0.000 36.829) 37.294 4.698 ( -14.223 0.000 -0.844) 14.248 4.964 ( 7.959 0.000 -5.074) 9.439 5.612 ( 1.566 0.000 -16.346) 16.421 6.087 ( -1.117 0.000 -4.776) 4.905 ======================= Grid point 3 (4/413) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 10.068 0.000 1.385) 10.163 0.861 ( 15.129 0.000 2.453) 15.327 1.591 ( 6.319 0.000 -0.079) 6.319 1.677 ( 5.368 0.000 -2.241) 5.817 1.905 ( 18.602 0.000 -3.933) 19.013 2.138 ( 11.172 0.000 5.240) 12.340 2.773 ( -12.947 0.000 1.464) 13.030 3.538 ( 10.034 0.000 28.902) 30.595 4.349 ( -20.124 0.000 -1.190) 20.159 5.093 ( 7.060 0.000 -13.796) 15.498 5.592 ( -0.299 0.000 1.116) 1.155 6.047 ( -0.589 0.000 -7.636) 7.658 ======================= Grid point 4 (5/413) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 8.141 0.000 1.098) 8.214 1.186 ( 16.393 0.000 2.835) 16.636 1.608 ( -1.697 0.000 -0.986) 1.963 1.791 ( 7.019 0.000 -2.759) 7.541 2.267 ( 15.735 0.000 0.633) 15.748 2.414 ( 14.418 0.000 0.699) 14.435 2.517 ( -12.787 0.000 1.815) 12.915 3.851 ( 11.520 0.000 26.148) 28.573 3.895 ( -24.476 0.000 -1.435) 24.518 5.110 ( 0.636 0.000 -23.327) 23.336 5.632 ( 1.747 0.000 14.341) 14.447 6.012 ( 0.122 0.000 -10.177) 10.177 ======================= Grid point 5 (6/413) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( 5.988 0.000 0.956) 6.064 1.519 ( 14.917 0.000 2.399) 15.108 1.556 ( -2.735 0.000 -1.121) 2.955 1.955 ( 10.716 0.000 -2.314) 10.963 2.293 ( -9.460 0.000 1.785) 9.627 2.522 ( 9.306 0.000 2.372) 9.603 2.676 ( 10.993 0.000 -1.681) 11.121 3.374 ( -26.567 0.000 -1.498) 26.609 4.172 ( 11.439 0.000 25.021) 27.512 4.975 ( -5.143 0.000 -24.584) 25.116 5.736 ( 2.578 0.000 15.826) 16.034 5.980 ( 0.383 0.000 -11.540) 11.547 ======================= Grid point 6 (7/413) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 2.577 0.000 0.491) 2.623 1.506 ( -1.555 0.000 -0.581) 1.660 1.749 ( 6.681 0.000 0.368) 6.691 2.073 ( -3.018 0.000 0.818) 3.127 2.326 ( 16.496 0.000 0.090) 16.497 2.655 ( 3.250 0.000 0.991) 3.398 2.823 ( 3.866 0.000 -0.803) 3.949 2.848 ( -23.957 0.000 -1.128) 23.984 4.475 ( 10.182 0.000 24.062) 26.127 4.754 ( -8.226 0.000 -23.871) 25.248 5.822 ( 1.140 0.000 9.529) 9.597 5.949 ( 0.109 0.000 -8.038) 8.039 ======================= Grid point 13 (8/413) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 0.000 14.142 0.000) 14.142 0.318 ( 0.000 15.502 0.000) 15.502 0.666 ( 0.000 31.779 0.000) 31.779 1.438 ( 0.000 2.771 0.000) 2.771 1.560 ( 0.000 4.723 0.000) 4.723 1.943 ( 0.000 -1.041 0.000) 1.041 2.534 ( 0.000 5.609 0.000) 5.609 4.350 ( 0.000 -1.506 0.000) 1.506 4.730 ( 0.000 -6.300 0.000) 6.300 5.029 ( 0.000 1.480 0.000) 1.480 5.044 ( 0.000 4.889 0.000) 4.889 6.108 ( 0.000 -2.464 0.000) 2.464 ======================= Grid point 14 (9/413) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.230 ( 3.609 7.580 0.209) 8.398 0.400 ( 8.822 9.643 0.026) 13.070 0.974 ( 21.897 23.330 -0.590) 32.002 1.481 ( 4.559 1.554 -0.802) 4.883 1.604 ( 4.109 5.356 -0.028) 6.751 1.944 ( 0.055 -0.475 2.215) 2.266 2.755 ( 11.313 -2.684 15.594) 19.451 3.898 ( -25.890 29.588 25.856) 47.056 4.749 ( 1.074 -7.273 -1.749) 7.558 5.002 ( -2.974 6.309 -0.835) 7.025 5.327 ( 16.447 -18.680 -29.905) 38.907 6.091 ( -1.486 -2.653 -0.748) 3.132 ======================= Grid point 15 (10/413) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 14.610 -5.033 3.212) 15.783 0.601 ( 10.833 4.819 -1.140) 11.911 1.374 ( 14.833 8.242 -0.689) 16.983 1.637 ( 11.609 7.758 -0.927) 13.994 1.702 ( 6.730 3.328 -2.931) 8.060 1.990 ( 4.306 1.775 4.947) 6.795 2.963 ( 4.338 0.497 6.255) 7.628 3.620 ( -11.138 26.115 26.190) 38.626 4.661 ( -10.199 -3.924 -2.822) 11.286 5.008 ( 5.150 4.375 -4.344) 8.033 5.459 ( 6.464 -13.225 -15.398) 21.302 6.048 ( -2.066 -3.395 -2.440) 4.663 ======================= Grid point 16 (11/413) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 11.617 -1.806 5.709) 13.070 0.831 ( 14.266 -0.862 -3.003) 14.604 1.552 ( 5.556 -1.946 -1.414) 6.054 1.712 ( 0.919 0.856 -1.769) 2.169 2.034 ( 20.330 11.718 -2.857) 23.639 2.157 ( 9.953 2.138 5.064) 11.370 2.928 ( -7.749 12.437 -0.988) 14.687 3.649 ( 3.279 11.409 28.722) 31.078 4.365 ( -17.344 1.342 -2.914) 17.638 5.111 ( 6.436 1.821 -13.460) 15.030 5.522 ( 3.174 -6.438 0.655) 7.208 6.000 ( -1.206 -4.296 -5.320) 6.944 ======================= Grid point 17 (12/413) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 7.765 0.759 2.409) 8.165 1.154 ( 16.990 -3.630 0.853) 17.395 1.597 ( -0.444 -0.905 -1.936) 2.183 1.762 ( 5.616 -2.471 -2.266) 6.541 2.339 ( 8.856 4.205 3.679) 10.471 2.425 ( 14.989 2.498 -1.876) 15.311 2.735 ( -8.979 19.333 -0.402) 21.321 3.817 ( -4.158 0.362 15.491) 16.043 4.027 ( -8.005 9.487 7.667) 14.590 5.123 ( 0.428 1.350 -21.583) 21.630 5.615 ( 3.678 -1.587 13.099) 13.698 5.968 ( 0.406 -4.200 -8.798) 9.758 ======================= Grid point 18 (13/413) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( 5.742 0.479 1.392) 5.927 1.468 ( 10.193 -4.066 1.754) 11.114 1.576 ( 2.329 0.135 -1.700) 2.887 1.909 ( 9.729 -3.978 -2.436) 10.790 2.394 ( -4.722 5.621 1.320) 7.459 2.585 ( 1.971 -0.210 2.899) 3.512 2.739 ( 9.042 13.997 -2.147) 16.802 3.469 ( -20.802 9.153 -2.357) 22.849 4.216 ( 10.089 4.582 23.616) 26.086 4.993 ( -5.215 1.960 -22.250) 22.937 5.739 ( 3.311 0.358 14.956) 15.323 5.950 ( 1.120 -2.869 -11.129) 11.547 ======================= Grid point 19 (14/413) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 2.499 0.321 0.594) 2.589 1.487 ( -1.264 -1.715 -0.439) 2.175 1.733 ( 5.951 -2.053 0.232) 6.300 2.091 ( 5.074 -1.898 -0.618) 5.453 2.352 ( 5.783 2.532 -0.368) 6.324 2.554 ( -8.011 -6.221 2.440) 10.432 2.882 ( 4.867 9.451 -0.837) 10.663 3.120 ( -10.643 20.294 -1.672) 22.976 4.497 ( 9.489 2.188 21.727) 23.810 4.781 ( -7.885 3.020 -21.020) 22.653 5.833 ( 1.290 1.006 9.916) 10.050 5.932 ( 0.510 -1.684 -8.630) 8.808 ======================= Grid point 26 (15/413) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 0.000 12.167 0.000) 12.167 0.623 ( 0.000 14.660 0.000) 14.660 1.251 ( 0.000 24.512 0.000) 24.512 1.527 ( 0.000 6.920 0.000) 6.920 1.700 ( 0.000 8.938 0.000) 8.938 1.916 ( 0.000 -1.417 0.000) 1.417 2.671 ( 0.000 6.965 0.000) 6.965 4.317 ( 0.000 -1.344 0.000) 1.344 4.537 ( 0.000 -12.821 0.000) 12.821 5.069 ( 0.000 2.421 0.000) 2.421 5.176 ( 0.000 7.752 0.000) 7.752 6.036 ( 0.000 -4.539 0.000) 4.539 ======================= Grid point 27 (16/413) ======================= q-point: ( 0.08 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.490 ( -8.355 14.714 -0.527) 16.929 0.611 ( 4.367 10.505 0.617) 11.393 1.385 ( 6.728 12.725 0.126) 14.394 1.607 ( 10.972 13.967 -0.399) 17.766 1.730 ( 2.484 6.388 -3.015) 7.488 1.942 ( 2.540 1.155 4.299) 5.125 2.807 ( 10.064 5.123 6.198) 12.882 4.276 ( -7.340 9.579 14.739) 19.049 4.554 ( 1.644 -12.136 -3.169) 12.651 5.071 ( 3.850 -5.765 -14.980) 16.507 5.155 ( -1.128 8.143 -1.390) 8.337 6.016 ( -2.081 -4.696 0.580) 5.169 ======================= Grid point 28 (17/413) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 5.518 4.175 0.921) 6.981 0.727 ( 6.831 7.224 0.002) 9.942 1.462 ( 2.913 2.566 -0.234) 3.889 1.740 ( -0.298 1.311 -3.438) 3.692 1.927 ( 17.791 15.169 -1.472) 23.426 2.065 ( 7.844 6.698 5.449) 11.666 3.027 ( 8.686 4.770 5.045) 11.120 4.128 ( -12.164 21.461 19.533) 31.465 4.540 ( -2.654 -7.436 -5.964) 9.894 5.101 ( 3.435 -1.666 -12.750) 13.309 5.203 ( 7.855 -4.062 -4.176) 9.780 5.961 ( -3.492 -5.152 0.655) 6.258 ======================= Grid point 29 (18/413) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 14.142 -4.951 3.280) 15.338 0.875 ( 8.027 4.029 -1.355) 9.083 1.527 ( 3.785 -0.507 -1.071) 3.966 1.708 ( -1.296 -0.919 -2.953) 3.354 2.210 ( 9.708 3.576 2.306) 10.600 2.299 ( 13.429 11.873 0.489) 17.932 3.154 ( 2.573 8.649 -0.218) 9.026 3.984 ( -8.032 19.206 20.643) 29.318 4.397 ( -8.632 2.477 -5.170) 10.363 5.148 ( 5.303 0.103 -14.934) 15.847 5.384 ( 9.549 -4.585 2.676) 10.926 5.892 ( -2.957 -6.102 -0.818) 6.830 ======================= Grid point 30 (19/413) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 9.955 -2.794 6.912) 12.437 1.062 ( 13.493 -2.887 -4.201) 14.423 1.576 ( 0.509 -1.124 -2.610) 2.887 1.706 ( 3.339 -2.912 -2.215) 4.953 2.370 ( 4.965 -0.692 3.484) 6.105 2.507 ( 6.164 3.805 -1.165) 7.337 3.146 ( -1.206 17.188 -2.338) 17.389 3.911 ( -7.301 9.449 7.135) 13.910 4.256 ( -2.469 13.291 8.454) 15.944 5.164 ( 0.777 2.547 -16.108) 16.327 5.583 ( 7.866 -0.954 9.530) 12.393 5.855 ( 0.554 -6.677 -5.220) 8.493 ======================= Grid point 31 (20/413) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 5.301 0.654 3.343) 6.301 1.351 ( 12.569 -7.377 0.315) 14.577 1.554 ( 0.511 -1.806 -3.464) 3.940 1.818 ( 7.794 -4.724 -2.452) 9.438 2.408 ( -2.833 -4.873 3.008) 6.389 2.527 ( -2.813 -3.094 -0.519) 4.213 3.150 ( 2.123 20.278 -0.346) 20.392 3.727 ( -8.879 15.837 -5.241) 18.898 4.366 ( 6.308 10.322 18.256) 21.900 5.064 ( -4.944 5.321 -14.757) 16.448 5.751 ( 4.704 0.832 13.191) 14.029 5.871 ( 3.254 -4.752 -10.641) 12.099 ======================= Grid point 32 (21/413) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 2.446 0.902 1.288) 2.908 1.438 ( -0.643 -3.261 -0.290) 3.337 1.659 ( 6.202 -5.107 -0.681) 8.062 1.981 ( 8.134 -7.697 -2.160) 11.405 2.300 ( -6.741 -7.713 1.656) 10.377 2.448 ( -3.515 -5.383 0.434) 6.444 3.196 ( 1.582 18.657 0.537) 18.732 3.583 ( -3.296 23.579 -3.296) 24.035 4.563 ( 6.227 4.424 13.229) 15.276 4.897 ( -5.751 8.937 -11.278) 15.496 5.856 ( 0.891 0.429 14.500) 14.534 5.889 ( 2.302 -1.627 -13.774) 14.060 ======================= Grid point 39 (22/413) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 0.000 9.824 0.000) 9.824 0.913 ( 0.000 14.183 0.000) 14.183 1.520 ( 0.000 4.547 0.000) 4.547 1.805 ( 0.000 14.171 0.000) 14.171 1.912 ( 0.000 11.704 0.000) 11.704 1.915 ( 0.000 4.994 0.000) 4.994 2.773 ( 0.000 2.188 0.000) 2.188 4.213 ( 0.000 -19.232 0.000) 19.232 4.321 ( 0.000 2.348 0.000) 2.348 5.120 ( 0.000 2.437 0.000) 2.437 5.338 ( 0.000 7.806 0.000) 7.806 5.929 ( 0.000 -5.901 0.000) 5.901 ======================= Grid point 40 (23/413) ======================= q-point: ( 0.08 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( -9.983 14.674 0.922) 17.772 0.811 ( 2.338 9.314 0.274) 9.607 1.522 ( -0.389 3.884 1.215) 4.088 1.810 ( -2.420 1.719 -4.298) 5.224 1.948 ( 9.780 14.160 -2.083) 17.335 2.060 ( 8.823 11.837 5.880) 15.891 2.893 ( 9.903 2.157 3.136) 10.609 4.229 ( 0.926 -17.000 4.444) 17.595 4.395 ( 7.487 1.682 -5.259) 9.303 5.057 ( -4.741 2.978 -3.464) 6.584 5.324 ( -0.669 7.978 -2.600) 8.417 5.907 ( -2.650 -5.952 2.698) 7.052 ======================= Grid point 41 (24/413) ======================= q-point: ( 0.15 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -5.540 11.586 0.177) 12.844 0.879 ( 3.867 7.543 1.488) 8.606 1.518 ( -0.091 3.051 1.198) 3.279 1.745 ( -2.447 -0.354 -4.347) 5.001 2.131 ( 8.016 6.639 0.953) 10.452 2.293 ( 11.577 12.554 2.051) 17.200 3.116 ( 9.680 3.224 4.184) 11.027 4.256 ( -0.185 -10.404 0.663) 10.427 4.537 ( 5.776 7.165 0.529) 9.218 4.975 ( 0.822 -0.854 -8.430) 8.513 5.318 ( 2.031 7.345 -3.170) 8.254 5.846 ( -4.507 -5.906 4.549) 8.712 ======================= Grid point 42 (25/413) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 6.291 1.342 1.258) 6.555 0.972 ( 4.946 5.372 0.886) 7.356 1.533 ( 1.331 1.070 0.287) 1.732 1.682 ( -2.217 -1.414 -3.975) 4.766 2.267 ( 4.644 1.490 2.182) 5.343 2.486 ( 6.495 5.964 0.130) 8.819 3.282 ( 5.711 4.574 2.266) 7.660 4.208 ( -3.282 0.681 -4.712) 5.783 4.585 ( -1.649 16.206 8.081) 18.184 5.070 ( 10.643 -4.730 -12.908) 17.386 5.409 ( 7.452 4.589 0.795) 8.788 5.765 ( -4.722 -5.940 4.157) 8.652 ======================= Grid point 43 (26/413) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 12.677 -6.478 3.251) 14.603 1.081 ( 5.990 3.017 -0.660) 6.739 1.553 ( -0.243 -1.178 -2.183) 2.492 1.652 ( 1.599 -2.181 -2.705) 3.825 2.314 ( -1.207 -4.970 3.452) 6.170 2.537 ( -1.335 -1.272 -0.896) 2.050 3.376 ( 3.899 7.238 0.245) 8.225 4.121 ( -2.674 8.154 -9.374) 12.709 4.581 ( -1.111 18.431 10.807) 21.395 5.215 ( 5.721 2.563 -8.976) 10.949 5.595 ( 8.798 1.710 6.147) 10.868 5.715 ( 0.325 -6.221 -1.562) 6.423 ======================= Grid point 44 (27/413) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 9.021 -5.040 6.873) 12.411 1.221 ( 9.399 -2.677 -3.619) 10.421 1.513 ( -1.240 -2.193 -4.482) 5.141 1.725 ( 5.394 -4.252 -2.029) 7.161 2.240 ( -7.206 -10.642 4.677) 13.676 2.443 ( -6.773 -5.890 -1.563) 9.111 3.457 ( 4.061 10.712 0.602) 11.472 4.041 ( -1.704 12.609 -10.802) 16.691 4.626 ( 1.581 14.904 10.842) 18.498 5.214 ( -2.770 9.266 -3.434) 10.263 5.739 ( 3.891 -4.252 4.112) 7.080 5.806 ( 7.875 0.942 -3.459) 8.653 ======================= Grid point 45 (28/413) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 3.022 0.632 3.536) 4.694 1.350 ( 1.329 -5.366 -1.205) 5.658 1.548 ( 6.358 -5.268 -3.377) 8.921 1.807 ( 2.034 -9.183 -1.716) 9.561 2.107 ( -5.365 -10.576 3.757) 12.440 2.302 ( -5.108 -8.837 -1.124) 10.269 3.527 ( 2.048 13.041 0.755) 13.223 3.986 ( -0.748 14.429 -5.041) 15.303 4.694 ( 1.550 9.028 5.002) 10.437 5.138 ( -2.585 13.986 -1.364) 14.288 5.809 ( 1.956 -3.110 0.251) 3.682 5.913 ( 2.966 2.501 -0.403) 3.901 ======================= Grid point 52 (29/413) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.000 8.166 0.000) 8.166 1.204 ( 0.000 14.923 0.000) 14.923 1.552 ( 0.000 -0.950 0.000) 0.950 1.897 ( 0.000 3.043 0.000) 3.043 2.157 ( 0.000 12.166 0.000) 12.166 2.191 ( 0.000 13.538 0.000) 13.538 2.740 ( 0.000 -5.270 0.000) 5.270 3.770 ( 0.000 -24.227 0.000) 24.227 4.426 ( 0.000 8.048 0.000) 8.048 5.159 ( 0.000 1.062 0.000) 1.062 5.477 ( 0.000 5.721 0.000) 5.721 5.805 ( 0.000 -6.138 0.000) 6.138 ======================= Grid point 53 (30/413) ======================= q-point: ( 0.08 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 1.230 7.996 2.994) 8.627 1.091 ( -9.400 15.385 -0.782) 18.046 1.560 ( 0.051 -0.327 1.935) 1.964 1.853 ( -3.402 3.613 -3.180) 5.894 2.165 ( 3.178 8.617 -1.733) 9.346 2.328 ( 8.441 11.735 2.969) 14.757 2.869 ( 11.662 -4.358 1.453) 12.534 3.825 ( 5.249 -21.927 1.292) 22.584 4.472 ( 5.963 6.220 -8.138) 11.852 5.130 ( -2.508 3.126 0.736) 4.075 5.462 ( -0.574 5.477 -4.837) 7.330 5.786 ( -2.959 -5.651 6.795) 9.320 ======================= Grid point 54 (31/413) ======================= q-point: ( 0.15 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -9.602 15.135 -0.628) 17.936 1.028 ( 1.994 7.234 3.543) 8.298 1.561 ( -0.693 0.247 2.569) 2.672 1.763 ( -3.858 3.291 -4.510) 6.787 2.230 ( 2.575 2.628 0.613) 3.730 2.478 ( 5.108 4.877 0.679) 7.095 3.145 ( 13.105 0.112 2.789) 13.399 3.977 ( 9.405 -15.421 -2.370) 18.218 4.607 ( 10.938 2.491 -12.317) 16.659 5.091 ( -1.616 8.218 4.464) 9.491 5.432 ( 0.578 3.483 -8.717) 9.405 5.741 ( -4.464 -3.814 11.459) 12.876 ======================= Grid point 55 (32/413) ======================= q-point: ( 0.23 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -3.531 10.483 -0.213) 11.064 1.086 ( 2.668 5.875 3.055) 7.139 1.551 ( -1.025 -0.447 1.279) 1.698 1.678 ( -2.822 2.268 -4.282) 5.607 2.246 ( -1.957 -4.123 2.480) 5.194 2.525 ( -0.584 -2.096 -0.214) 2.187 3.366 ( 8.338 4.393 0.712) 9.452 4.136 ( 7.538 -6.319 -10.151) 14.134 4.803 ( 10.044 3.138 -5.697) 11.966 5.125 ( 4.725 11.019 2.914) 12.338 5.453 ( 4.019 -1.945 -4.938) 6.657 5.696 ( -3.396 0.154 10.490) 11.027 ======================= Grid point 56 (33/413) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 5.707 1.088 0.753) 5.859 1.156 ( 3.414 4.183 1.942) 5.738 1.522 ( -1.925 -2.215 -2.355) 3.763 1.635 ( -0.000 0.984 -2.354) 2.551 2.163 ( -7.385 -10.033 4.417) 13.218 2.454 ( -6.137 -6.654 -0.958) 9.103 3.507 ( 6.573 6.623 -1.609) 9.469 4.201 ( 3.617 0.183 -15.112) 15.539 4.904 ( 0.773 10.950 4.927) 12.032 5.306 ( 10.328 7.803 -1.103) 12.991 5.527 ( 2.906 -6.958 3.776) 8.433 5.721 ( 4.754 4.763 2.208) 7.083 ======================= Grid point 57 (34/413) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 10.797 -6.092 2.499) 12.647 1.235 ( 4.041 2.339 0.166) 4.672 1.464 ( -1.993 -2.811 -5.461) 6.457 1.655 ( 1.841 -2.487 -1.216) 3.325 1.999 ( -9.851 -12.846 6.085) 17.294 2.289 ( -9.229 -8.984 -1.670) 12.987 3.631 ( 6.139 7.400 -0.895) 9.657 4.190 ( 0.737 2.619 -14.354) 14.609 4.914 ( -1.122 12.126 6.108) 13.623 5.401 ( -1.139 7.049 6.984) 9.988 5.654 ( 8.916 -1.609 -3.568) 9.737 5.863 ( 7.192 3.753 0.811) 8.153 ======================= Grid point 58 (35/413) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 7.927 -6.777 5.081) 11.601 1.285 ( -0.482 0.179 -3.174) 3.216 1.453 ( 5.188 -4.485 -6.692) 9.582 1.620 ( -7.257 -9.005 2.847) 11.911 1.899 ( -0.027 -9.340 3.373) 9.930 2.107 ( -6.999 -10.011 -1.455) 12.301 3.729 ( 3.023 7.651 0.368) 8.235 4.150 ( -0.463 2.884 -6.465) 7.094 4.911 ( -0.578 11.177 2.700) 11.513 5.388 ( -1.107 8.259 2.967) 8.845 5.779 ( 3.707 1.623 -1.803) 4.430 5.972 ( 2.938 3.211 0.493) 4.380 ======================= Grid point 65 (36/413) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 7.352 0.000) 7.352 1.496 ( 0.000 -4.232 0.000) 4.232 1.526 ( 0.000 17.098 0.000) 17.098 1.981 ( 0.000 4.961 0.000) 4.961 2.385 ( 0.000 5.241 0.000) 5.241 2.389 ( 0.000 10.453 0.000) 10.453 2.587 ( 0.000 -8.889 0.000) 8.889 3.260 ( 0.000 -25.157 0.000) 25.157 4.627 ( 0.000 11.226 0.000) 11.226 5.148 ( 0.000 -2.512 0.000) 2.512 5.564 ( 0.000 3.000 0.000) 3.000 5.694 ( 0.000 -4.505 0.000) 4.505 ======================= Grid point 66 (37/413) ======================= q-point: ( 0.08 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 0.888 7.190 2.916) 7.810 1.399 ( -8.105 12.114 0.909) 14.603 1.535 ( -0.074 1.409 0.981) 1.719 1.958 ( -2.174 6.258 -1.623) 6.821 2.283 ( -3.315 2.126 -2.436) 4.631 2.472 ( 1.015 0.662 0.276) 1.243 2.774 ( 17.289 -2.089 1.296) 17.463 3.380 ( 11.220 -20.923 0.367) 23.745 4.642 ( 3.144 10.028 -9.144) 13.930 5.149 ( 0.620 -1.972 -1.941) 2.836 5.544 ( -1.199 2.922 -4.810) 5.754 5.693 ( -1.989 -3.317 11.760) 12.380 ======================= Grid point 67 (38/413) ======================= q-point: ( 0.15 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -0.050 7.290 -2.301) 7.645 1.220 ( -9.028 15.657 6.383) 19.167 1.530 ( -0.977 -2.168 1.771) 2.965 1.885 ( -4.056 8.207 -2.821) 9.580 2.205 ( -4.725 -5.774 0.776) 7.501 2.469 ( -1.120 -5.490 -0.618) 5.637 3.164 ( 18.911 2.701 0.182) 19.104 3.672 ( 17.106 -14.095 -3.318) 22.412 4.703 ( 7.444 7.009 -14.077) 17.398 5.175 ( 3.028 -1.545 -1.642) 3.775 5.491 ( -2.404 3.979 -2.876) 5.467 5.700 ( -1.812 -0.991 14.586) 14.731 ======================= Grid point 68 (39/413) ======================= q-point: ( 0.23 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -7.907 15.116 -2.888) 17.302 1.209 ( 0.517 6.404 6.512) 9.148 1.507 ( -1.656 -3.163 -0.025) 3.570 1.787 ( -4.526 7.873 -2.555) 9.434 2.087 ( -7.857 -11.505 3.416) 14.344 2.414 ( -4.516 -8.376 -0.460) 9.527 3.475 ( 12.418 6.461 -3.483) 14.425 3.978 ( 14.338 -8.802 -10.314) 19.734 4.854 ( 11.411 3.726 -10.154) 15.722 5.262 ( 5.274 -3.753 1.098) 6.566 5.454 ( -0.256 7.659 2.425) 8.038 5.727 ( 0.559 1.315 10.075) 10.176 ======================= Grid point 69 (40/413) ======================= q-point: ( 0.31 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -3.026 10.486 -1.235) 10.984 1.246 ( 1.349 4.669 4.245) 6.453 1.462 ( -2.219 -3.508 -3.399) 5.365 1.696 ( -3.804 4.539 -1.250) 6.052 1.920 ( -10.064 -13.227 5.662) 17.558 2.282 ( -8.203 -9.953 -0.930) 12.931 3.656 ( 8.073 8.125 -6.107) 12.980 4.146 ( 7.046 -5.232 -15.614) 17.912 5.031 ( 6.432 3.821 -0.463) 7.496 5.356 ( 2.123 -6.597 7.702) 10.361 5.544 ( 8.771 10.556 0.912) 13.754 5.805 ( 4.992 2.754 3.312) 6.593 ======================= Grid point 70 (41/413) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 4.130 1.867 0.064) 4.533 1.292 ( 2.090 3.098 2.367) 4.423 1.392 ( -3.025 -4.606 -7.257) 9.112 1.612 ( -6.163 -3.839 3.286) 7.970 1.761 ( -5.609 -7.794 4.618) 10.655 2.094 ( -9.594 -9.962 -1.549) 13.917 3.777 ( 6.011 7.282 -4.455) 10.440 4.176 ( 1.832 -3.407 -14.381) 14.892 5.098 ( 0.405 6.618 4.502) 8.015 5.408 ( 0.338 -4.285 8.392) 9.429 5.749 ( 10.113 8.328 -1.905) 13.238 5.934 ( 6.443 2.795 0.613) 7.050 ======================= Grid point 71 (42/413) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 7.166 -5.162 1.543) 8.965 1.270 ( -5.431 -5.361 -4.888) 9.063 1.360 ( 3.148 -2.134 -2.096) 4.342 1.479 ( -6.728 -4.418 5.982) 10.028 1.753 ( 2.343 -4.756 1.080) 5.411 1.915 ( -6.820 -8.668 -1.239) 11.099 3.860 ( 2.778 5.775 -1.023) 6.489 4.148 ( -0.272 -2.339 -6.256) 6.685 5.107 ( -0.354 7.982 2.344) 8.327 5.430 ( -0.046 -2.500 3.169) 4.037 5.890 ( 3.967 7.475 -1.058) 8.529 6.034 ( 2.771 2.585 0.249) 3.798 ======================= Grid point 78 (43/413) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 6.792 0.000) 6.792 1.392 ( 0.000 -5.881 0.000) 5.881 1.883 ( 0.000 16.809 0.000) 16.809 2.063 ( 0.000 0.904 0.000) 0.904 2.392 ( 0.000 -3.640 0.000) 3.640 2.411 ( 0.000 -6.479 0.000) 6.479 2.589 ( 0.000 8.932 0.000) 8.932 2.820 ( 0.000 -16.401 0.000) 16.401 4.856 ( 0.000 10.858 0.000) 10.858 5.046 ( 0.000 -7.550 0.000) 7.550 5.605 ( 0.000 1.260 0.000) 1.260 5.631 ( 0.000 -1.849 0.000) 1.849 ======================= Grid point 79 (44/413) ======================= q-point: ( 0.08 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 0.440 6.445 2.641) 6.979 1.393 ( -0.429 -5.124 2.435) 5.689 1.808 ( -6.817 17.391 0.457) 18.685 2.053 ( -1.564 -1.345 1.085) 2.331 2.249 ( -8.384 -1.559 -3.638) 9.271 2.358 ( -2.846 -8.640 -2.637) 9.471 2.838 ( 19.124 6.849 1.051) 20.340 3.031 ( 17.449 -12.963 -0.060) 21.737 4.855 ( 1.551 10.508 -8.674) 13.714 5.045 ( 1.187 -7.842 -6.619) 10.331 5.596 ( -1.003 2.420 2.332) 3.507 5.642 ( -0.713 -2.185 9.640) 9.910 ======================= Grid point 80 (45/413) ======================= q-point: ( 0.15 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.011 5.753 1.632) 5.980 1.384 ( -1.610 -2.569 2.705) 4.063 1.646 ( -8.962 16.139 1.780) 18.547 1.977 ( -7.590 -13.301 2.523) 15.520 2.090 ( -5.464 8.798 -3.055) 10.798 2.299 ( -2.927 -10.251 -1.610) 10.782 3.260 ( 21.467 6.592 -2.335) 22.577 3.427 ( 21.219 -10.041 -3.668) 23.759 4.873 ( 4.407 9.310 -12.187) 15.957 5.058 ( 3.144 -8.447 -9.176) 12.862 5.591 ( -0.863 4.924 7.018) 8.616 5.668 ( -0.275 -2.605 11.591) 11.883 ======================= Grid point 81 (46/413) ======================= q-point: ( 0.23 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -2.586 7.657 -5.198) 9.609 1.345 ( -2.889 2.591 4.726) 6.115 1.494 ( -6.439 8.114 3.520) 10.940 1.793 ( -10.791 -16.030 4.048) 19.743 1.985 ( -5.174 10.530 -1.174) 11.791 2.211 ( -5.652 -11.167 -0.848) 12.545 3.623 ( 15.563 8.080 -7.323) 19.003 3.796 ( 16.681 -8.962 -9.615) 21.237 4.963 ( 8.003 6.855 -7.461) 12.911 5.118 ( 5.152 -8.108 -4.130) 10.457 5.622 ( 1.889 6.962 7.443) 10.365 5.718 ( 1.964 -2.503 8.821) 9.377 ======================= Grid point 82 (47/413) ======================= q-point: ( 0.31 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -6.454 12.992 -4.697) 15.249 1.318 ( -1.561 -1.258 0.444) 2.053 1.409 ( -3.591 2.044 1.972) 4.579 1.598 ( -10.147 -13.486 8.394) 18.849 1.869 ( -5.836 8.356 -0.849) 10.227 2.069 ( -7.936 -10.736 -0.997) 13.388 3.830 ( 8.769 8.921 -10.682) 16.449 4.006 ( 8.623 -8.184 -14.055) 18.409 5.112 ( 6.629 4.577 1.225) 8.148 5.221 ( 4.407 -6.204 4.646) 8.916 5.729 ( 6.870 6.930 3.229) 10.279 5.817 ( 5.760 -1.780 3.598) 7.021 ======================= Grid point 83 (48/413) ======================= q-point: ( 0.38 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -3.848 9.578 -1.976) 10.509 1.238 ( -5.663 -10.088 -5.876) 12.976 1.370 ( -1.154 3.820 4.191) 5.787 1.470 ( -5.526 -6.630 8.458) 12.084 1.761 ( -4.179 4.872 -0.851) 6.475 1.902 ( -7.774 -8.653 -1.325) 11.707 3.927 ( 4.761 7.503 -8.621) 12.381 4.072 ( 3.199 -6.525 -12.203) 14.203 5.209 ( 2.050 4.861 5.052) 7.304 5.308 ( 2.066 -5.051 6.613) 8.574 5.895 ( 8.120 5.394 0.055) 9.748 5.957 ( 6.816 -0.814 0.531) 6.885 ======================= Grid point 84 (49/413) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.996 1.788 -0.195) 2.056 1.100 ( -5.372 -8.262 -2.175) 10.092 1.375 ( 0.369 1.823 1.398) 2.327 1.417 ( -2.038 -2.321 2.937) 4.262 1.711 ( -0.459 0.544 -0.283) 0.765 1.771 ( -4.324 -5.270 -0.819) 6.866 3.972 ( 1.758 5.378 -3.001) 6.405 4.075 ( 0.572 -4.605 -4.913) 6.758 5.242 ( 0.280 5.743 2.412) 6.235 5.348 ( 0.490 -4.859 2.699) 5.580 6.016 ( 3.401 4.379 -0.297) 5.552 6.062 ( 2.903 -0.207 0.020) 2.911 ======================= Grid point 169 (50/413) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( -5.345 0.000 13.414) 14.439 0.309 ( -0.889 0.000 14.171) 14.199 0.711 ( -5.905 0.000 32.671) 33.201 1.402 ( -0.602 0.000 -0.595) 0.846 1.489 ( -0.442 0.000 -2.130) 2.175 2.004 ( 1.046 0.000 4.729) 4.844 3.300 ( -0.651 0.000 6.619) 6.651 3.481 ( 80.283 0.000 5.127) 80.447 4.724 ( -4.245 0.000 -6.208) 7.520 4.951 ( 0.235 0.000 -3.930) 3.937 5.315 ( -60.915 0.000 2.264) 60.957 6.069 ( 1.262 0.000 -6.042) 6.172 ======================= Grid point 170 (51/413) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 8.399 0.000 8.051) 11.635 0.439 ( 8.186 0.000 11.095) 13.788 0.939 ( 14.692 0.000 23.442) 27.666 1.493 ( 7.989 0.000 -0.616) 8.013 1.494 ( 1.749 0.000 -2.793) 3.296 2.043 ( 0.929 0.000 6.368) 6.435 3.250 ( -6.574 0.000 6.890) 9.523 4.120 ( -30.156 0.000 19.463) 35.892 4.672 ( 20.733 0.000 -12.458) 24.187 4.868 ( -7.092 0.000 -4.297) 8.292 4.904 ( 17.210 0.000 -7.390) 18.730 6.054 ( -0.557 0.000 -4.824) 4.856 ======================= Grid point 171 (52/413) ======================= q-point: ( 0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 11.910 0.000 3.772) 12.493 0.676 ( 11.713 0.000 8.064) 14.221 1.360 ( 19.179 0.000 12.352) 22.812 1.538 ( 3.619 0.000 -3.325) 4.914 1.655 ( 7.494 0.000 0.348) 7.502 2.109 ( 4.096 0.000 7.885) 8.886 3.092 ( -11.309 0.000 6.871) 13.232 3.858 ( -4.379 0.000 14.334) 14.988 4.641 ( -13.913 0.000 -4.600) 14.653 4.780 ( 2.489 0.000 -6.676) 7.125 5.281 ( 16.930 0.000 -13.430) 21.610 6.025 ( -0.917 0.000 -1.757) 1.982 ======================= Grid point 172 (53/413) ======================= q-point: ( 0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 10.294 0.000 4.274) 11.146 0.956 ( 13.805 0.000 6.291) 15.171 1.614 ( 5.133 0.000 -3.685) 6.319 1.624 ( 2.272 0.000 1.792) 2.894 1.899 ( 18.272 0.000 4.028) 18.711 2.276 ( 9.288 0.000 7.533) 11.959 2.859 ( -13.903 0.000 6.493) 15.344 3.938 ( 7.381 0.000 3.904) 8.350 4.286 ( -19.703 0.000 -4.764) 20.271 4.772 ( -0.518 0.000 -9.720) 9.734 5.501 ( 9.760 0.000 -10.174) 14.099 6.018 ( 0.121 0.000 4.182) 4.183 ======================= Grid point 173 (54/413) ======================= q-point: ( 0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 8.270 0.000 5.629) 10.004 1.269 ( 15.259 0.000 4.831) 16.005 1.604 ( -2.801 0.000 -0.133) 2.804 1.721 ( 7.141 0.000 -3.734) 8.058 2.276 ( 16.628 0.000 1.980) 16.745 2.501 ( 10.316 0.000 5.954) 11.911 2.597 ( -13.891 0.000 5.674) 15.005 3.830 ( -23.860 0.000 -4.664) 24.312 4.125 ( 10.749 0.000 -8.422) 13.656 4.699 ( -3.017 0.000 -8.364) 8.891 5.611 ( 5.024 0.000 -10.779) 11.892 6.065 ( 1.771 0.000 11.082) 11.223 ======================= Grid point 174 (55/413) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.179 ( 5.716 0.000 7.135) 9.142 1.538 ( -3.219 0.000 -1.081) 3.396 1.572 ( 12.409 0.000 2.450) 12.648 1.901 ( 12.770 0.000 -2.597) 13.032 2.359 ( -10.994 0.000 4.366) 11.830 2.547 ( 9.507 0.000 1.051) 9.565 2.714 ( 8.796 0.000 4.138) 9.720 3.314 ( -25.588 0.000 -4.079) 25.911 4.232 ( 4.007 0.000 -29.103) 29.377 4.658 ( 2.067 0.000 2.902) 3.563 5.641 ( 1.873 0.000 -9.547) 9.729 6.149 ( 1.725 0.000 14.283) 14.386 ======================= Grid point 175 (56/413) ======================= q-point: ( 0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.300 0.000 7.024) 7.030 1.492 ( -0.110 0.000 -0.409) 0.423 1.756 ( 5.576 0.000 0.235) 5.580 2.084 ( -2.464 0.000 0.210) 2.473 2.336 ( 14.701 0.000 0.883) 14.727 2.660 ( 1.614 0.000 -0.196) 1.626 2.809 ( -21.999 0.000 -2.543) 22.145 2.862 ( 4.151 0.000 3.772) 5.608 4.092 ( -4.904 0.000 -35.440) 35.777 4.795 ( 9.186 0.000 0.551) 9.203 5.630 ( -0.256 0.000 -5.526) 5.532 6.219 ( 0.138 0.000 14.533) 14.534 ======================= Grid point 176 (57/413) ======================= q-point: (-0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -5.311 0.000 3.249) 6.226 1.539 ( 3.224 0.000 3.690) 4.900 1.741 ( -8.441 0.000 -0.386) 8.450 2.053 ( 2.446 0.000 -0.961) 2.629 2.331 ( -14.269 0.000 0.525) 14.279 2.615 ( -5.369 0.000 -2.935) 6.119 2.854 ( 24.364 0.000 -0.627) 24.372 2.891 ( -3.020 0.000 4.867) 5.727 3.838 ( -7.937 0.000 -34.124) 35.035 4.987 ( 10.864 0.000 -8.620) 13.868 5.594 ( -2.594 0.000 0.977) 2.773 6.254 ( -1.450 0.000 13.569) 13.646 ======================= Grid point 177 (58/413) ======================= q-point: (-0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -7.450 0.000 1.417) 7.583 1.478 ( -15.608 0.000 -1.387) 15.669 1.618 ( 2.788 0.000 5.455) 6.127 1.987 ( -8.621 0.000 0.598) 8.642 2.292 ( 8.710 0.000 1.801) 8.895 2.437 ( -10.378 0.000 -6.096) 12.036 2.771 ( -10.836 0.000 6.347) 12.558 3.375 ( 26.709 0.000 -1.407) 26.746 3.547 ( -9.656 0.000 -31.677) 33.116 5.155 ( 10.082 0.000 -19.294) 21.769 5.539 ( -4.412 0.000 10.992) 11.844 6.259 ( -2.277 0.000 12.024) 12.238 ======================= Grid point 178 (59/413) ======================= q-point: (-0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -9.241 0.000 0.428) 9.251 1.156 ( -15.653 0.000 0.011) 15.653 1.678 ( 0.817 0.000 5.881) 5.938 1.830 ( -7.135 0.000 0.851) 7.185 2.183 ( -11.862 0.000 -7.149) 13.850 2.506 ( -17.846 0.000 7.765) 19.462 2.527 ( 12.848 0.000 2.829) 13.155 3.234 ( -11.019 0.000 -29.486) 31.477 3.888 ( 24.669 0.000 -2.098) 24.758 5.208 ( 1.520 0.000 -22.956) 23.006 5.542 ( 1.124 0.000 15.856) 15.895 6.249 ( -2.466 0.000 10.100) 10.397 ======================= Grid point 179 (60/413) ======================= q-point: (-0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -11.002 0.000 0.071) 11.002 0.860 ( -14.250 0.000 2.321) 14.437 1.649 ( -7.410 0.000 4.536) 8.688 1.703 ( -5.771 0.000 0.184) 5.774 1.970 ( -6.022 0.000 -0.943) 6.096 2.130 ( -21.369 0.000 7.546) 22.662 2.801 ( 12.894 0.000 4.155) 13.547 2.904 ( -11.929 0.000 -27.969) 30.406 4.334 ( 20.361 0.000 -2.655) 20.534 5.092 ( -5.520 0.000 -12.828) 13.965 5.667 ( 6.183 0.000 7.954) 10.075 6.231 ( -2.390 0.000 7.650) 8.015 ======================= Grid point 180 (61/413) ======================= q-point: (-0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -11.504 0.000 2.698) 11.816 0.601 ( -12.927 0.000 5.317) 13.978 1.394 ( -19.791 0.000 10.871) 22.581 1.600 ( -4.389 0.000 -0.600) 4.430 1.745 ( -16.806 0.000 6.799) 18.129 1.951 ( 1.021 0.000 3.498) 3.643 2.576 ( -11.059 0.000 -23.800) 26.244 3.053 ( 10.167 0.000 5.269) 11.452 4.675 ( 14.471 0.000 -3.119) 14.804 4.933 ( -6.341 0.000 -7.102) 9.521 5.823 ( 7.056 0.000 3.652) 7.945 6.204 ( -2.584 0.000 3.714) 4.524 ======================= Grid point 181 (62/413) ======================= q-point: (-0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( -7.128 0.000 11.765) 13.755 0.390 ( -10.185 0.000 9.965) 14.249 0.980 ( -24.994 0.000 22.356) 33.533 1.519 ( -8.768 0.000 2.611) 9.148 1.526 ( -2.599 0.000 -1.383) 2.944 1.988 ( -0.145 0.000 3.736) 3.739 2.447 ( 11.015 0.000 6.932) 13.014 3.230 ( 5.315 0.000 6.085) 8.079 4.805 ( -4.178 0.000 -4.741) 6.319 4.885 ( 7.586 0.000 -3.536) 8.370 5.943 ( 1.666 0.000 -3.082) 3.504 6.120 ( -6.685 0.000 -6.542) 9.353 ======================= Grid point 182 (63/413) ======================= q-point: ( 0.00 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -0.586 7.501 10.084) 12.581 0.428 ( -2.997 11.359 8.896) 14.736 0.975 ( -4.117 20.664 21.898) 30.389 1.430 ( -0.557 2.904 -0.150) 2.961 1.572 ( -1.140 6.126 -0.798) 6.282 1.995 ( 1.037 -0.740 4.805) 4.971 2.714 ( 17.914 -15.221 12.657) 26.698 3.983 ( 25.688 11.684 -12.534) 30.879 4.700 ( 1.609 -3.427 -4.199) 5.654 4.990 ( 0.160 3.651 -5.085) 6.262 5.283 ( -35.620 -1.335 9.545) 36.901 6.050 ( 1.043 -1.518 -5.220) 5.535 ======================= Grid point 183 (64/413) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 1.771 4.448 10.880) 11.887 0.489 ( 6.687 7.847 9.273) 13.867 1.152 ( 11.925 16.487 14.478) 24.973 1.474 ( 4.648 2.748 0.786) 5.456 1.595 ( 3.596 5.381 -1.550) 6.656 2.040 ( 1.545 -0.072 6.387) 6.571 2.988 ( 5.273 -13.285 8.417) 16.587 4.252 ( -4.076 1.914 -4.285) 6.216 4.737 ( -13.351 -0.463 7.727) 15.433 4.830 ( 9.861 4.988 -10.409) 15.181 4.970 ( 3.407 4.361 -3.702) 6.658 6.039 ( -0.543 -1.319 -4.095) 4.336 ======================= Grid point 184 (65/413) ======================= q-point: ( 0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 11.360 -1.664 5.781) 12.855 0.688 ( 9.394 3.646 9.575) 13.901 1.408 ( 8.145 2.054 2.110) 8.661 1.654 ( 8.158 9.842 1.712) 12.898 1.677 ( 9.415 4.104 1.994) 10.462 2.122 ( 4.886 1.493 7.391) 8.985 3.037 ( -1.819 -2.653 3.001) 4.399 4.078 ( -7.569 16.719 8.561) 20.251 4.533 ( -11.299 -7.796 -5.416) 14.757 4.860 ( 0.414 4.747 -5.053) 6.946 5.214 ( 15.324 -5.091 -8.639) 18.313 6.008 ( -1.271 -1.578 -1.495) 2.518 ======================= Grid point 185 (66/413) ======================= q-point: ( 0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 11.286 -0.221 2.864) 11.646 0.934 ( 12.262 -1.079 9.737) 15.695 1.526 ( 4.673 -2.968 -1.507) 5.737 1.681 ( -0.037 0.127 -1.371) 1.377 2.033 ( 18.380 11.924 3.090) 22.126 2.286 ( 8.393 1.233 6.824) 10.887 2.942 ( -8.115 7.143 2.079) 11.009 4.062 ( 3.248 11.726 3.523) 12.667 4.220 ( -17.234 -5.775 -7.757) 19.762 4.844 ( -0.791 5.868 -5.746) 8.251 5.446 ( 10.666 -4.707 -8.609) 14.492 5.994 ( -0.153 -2.358 3.999) 4.645 ======================= Grid point 186 (67/413) ======================= q-point: ( 0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 8.155 0.888 4.762) 9.486 1.242 ( 15.115 -3.112 6.728) 16.835 1.568 ( -0.778 -2.503 -1.371) 2.958 1.709 ( 4.910 -1.747 -2.646) 5.845 2.375 ( 13.156 7.640 1.393) 15.277 2.478 ( 8.636 -0.863 5.012) 10.022 2.765 ( -8.883 14.512 3.102) 17.296 3.808 ( -20.474 -1.920 -8.637) 22.304 4.187 ( 8.274 6.279 -6.598) 12.305 4.780 ( -3.314 7.571 -4.880) 9.598 5.579 ( 6.056 -2.849 -10.510) 12.460 6.040 ( 2.023 -2.513 10.857) 11.326 ======================= Grid point 187 (68/413) ======================= q-point: ( 0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 5.417 0.331 6.508) 8.474 1.510 ( -0.890 -2.247 0.063) 2.418 1.560 ( 10.940 -2.332 1.653) 11.307 1.857 ( 10.695 -3.975 -2.159) 11.612 2.435 ( -5.830 3.653 2.471) 7.310 2.677 ( 3.292 -2.343 5.483) 6.811 2.719 ( 7.477 16.840 0.126) 18.426 3.370 ( -19.385 5.322 -7.218) 21.359 4.274 ( 3.639 4.180 -24.881) 25.491 4.726 ( 0.178 6.826 2.902) 7.419 5.630 ( 2.853 -1.045 -9.497) 9.972 6.130 ( 2.097 -1.886 13.968) 14.250 ======================= Grid point 188 (69/413) ======================= q-point: ( 0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 0.080 -0.514 5.956) 5.979 1.476 ( 0.070 -1.455 -0.225) 1.474 1.741 ( 4.957 -2.070 0.451) 5.390 2.071 ( 6.997 -3.578 -1.040) 7.927 2.365 ( 2.566 1.229 1.332) 3.141 2.612 ( -10.726 -1.883 2.318) 11.134 2.888 ( 6.173 8.213 1.345) 10.362 3.072 ( -6.081 18.384 -2.740) 19.556 4.143 ( -5.221 5.140 -33.060) 33.862 4.825 ( 7.651 3.133 1.055) 8.335 5.636 ( 0.457 0.590 -5.606) 5.655 6.203 ( 0.176 -1.548 14.168) 14.254 ======================= Grid point 189 (70/413) ======================= q-point: (-0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -5.296 -1.142 1.986) 5.770 1.520 ( 2.486 -1.610 3.774) 4.798 1.731 ( -6.266 -1.613 -0.031) 6.470 2.092 ( -3.150 -0.200 -0.557) 3.205 2.367 ( -6.191 1.631 0.268) 6.408 2.530 ( 5.173 -2.414 0.333) 5.718 2.920 ( -3.297 5.689 2.540) 7.049 3.137 ( 11.965 21.659 -0.116) 24.744 3.888 ( -7.978 5.329 -33.089) 34.452 4.997 ( 10.081 1.061 -7.478) 12.596 5.608 ( -2.337 1.422 0.265) 2.749 6.233 ( -1.935 -2.065 13.277) 13.575 ======================= Grid point 190 (71/413) ======================= q-point: (-0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( -7.569 -1.459 0.018) 7.709 1.472 ( -12.309 -1.616 1.807) 12.546 1.631 ( 0.829 0.712 4.238) 4.376 1.944 ( -8.825 -3.709 0.666) 9.596 2.372 ( 0.487 3.581 -1.437) 3.889 2.562 ( 1.521 8.333 0.700) 8.500 2.810 ( -8.525 8.839 4.364) 13.033 3.429 ( 10.201 5.535 -11.434) 16.292 3.657 ( 1.656 11.070 -21.698) 24.415 5.160 ( 9.794 0.440 -16.848) 19.493 5.549 ( -4.775 1.036 9.074) 10.306 6.222 ( -3.256 -3.565 11.829) 12.776 ======================= Grid point 191 (72/413) ======================= q-point: (-0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -9.562 -1.806 -0.611) 9.750 1.192 ( -14.897 1.321 3.223) 15.299 1.669 ( -0.692 -0.987 4.860) 5.007 1.799 ( -5.115 -2.377 1.333) 5.796 2.239 ( -9.757 4.472 -5.961) 12.278 2.523 ( -13.989 1.585 6.481) 15.499 2.786 ( 9.449 22.846 4.445) 25.120 3.256 ( -8.829 3.101 -29.973) 31.400 3.964 ( 21.045 7.273 -3.276) 22.506 5.225 ( 2.048 1.695 -21.378) 21.543 5.526 ( -0.392 -1.454 15.421) 15.494 6.190 ( -3.636 -5.708 9.856) 11.956 ======================= Grid point 192 (73/413) ======================= q-point: (-0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( -11.174 -1.873 1.251) 11.399 0.917 ( -13.809 3.156 4.399) 14.832 1.591 ( -6.702 -3.011 1.642) 7.529 1.767 ( -1.544 2.833 3.844) 5.018 2.021 ( -8.448 4.925 -5.040) 11.001 2.188 ( -20.358 5.846 8.263) 22.735 2.908 ( -7.569 4.121 -15.147) 17.427 3.097 ( 10.431 22.901 -8.388) 26.526 4.349 ( 17.950 1.289 -4.265) 18.495 5.121 ( -5.198 3.009 -11.069) 12.594 5.621 ( 4.362 -4.450 8.971) 10.923 6.148 ( -3.315 -7.608 6.965) 10.834 ======================= Grid point 193 (74/413) ======================= q-point: (-0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -10.311 -0.390 6.649) 12.275 0.670 ( -12.307 5.424 4.737) 14.259 1.438 ( -10.258 2.241 3.835) 11.178 1.665 ( -9.309 7.443 1.659) 12.034 1.820 ( -16.547 7.159 7.752) 19.625 1.940 ( 0.070 -0.788 1.841) 2.004 2.634 ( -9.978 5.459 -21.450) 24.279 3.348 ( 12.868 24.514 0.715) 27.695 4.627 ( 10.689 -4.555 -5.815) 12.993 4.991 ( -3.902 5.407 -4.679) 8.146 5.730 ( 3.018 -9.067 7.694) 12.268 6.104 ( -2.763 -7.799 2.163) 8.552 ======================= Grid point 194 (75/413) ======================= q-point: (-0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -4.333 4.417 11.049) 12.664 0.477 ( -7.889 8.914 7.688) 14.171 1.173 ( -17.968 15.387 15.038) 28.031 1.496 ( -6.078 1.841 0.971) 6.424 1.633 ( -5.294 6.406 2.453) 8.665 1.969 ( 0.566 -1.518 4.425) 4.712 2.456 ( 1.116 3.967 -6.693) 7.860 3.610 ( 14.464 24.786 -1.915) 28.761 4.710 ( 0.543 -7.175 -5.078) 8.807 4.971 ( 2.458 6.069 -3.752) 7.546 5.731 ( -9.190 -16.949 7.548) 20.705 6.056 ( -0.894 -3.374 -4.552) 5.736 ======================= Grid point 195 (76/413) ======================= q-point: ( 0.00 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -0.227 11.671 2.686) 11.978 0.683 ( -0.788 13.219 5.286) 14.258 1.373 ( -1.065 14.015 6.681) 15.562 1.548 ( -0.679 11.307 4.798) 12.302 1.701 ( -2.316 6.862 0.620) 7.269 1.987 ( 1.871 0.528 5.938) 6.249 2.634 ( 9.325 3.028 -2.627) 10.150 4.048 ( 6.508 -2.202 -13.754) 15.375 4.563 ( 2.211 -9.880 -0.715) 10.150 5.073 ( -0.702 3.486 -8.535) 9.246 5.296 ( -12.879 2.800 12.803) 18.375 6.015 ( 1.061 -1.834 -2.012) 2.922 ======================= Grid point 196 (77/413) ======================= q-point: ( 0.08 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( -3.708 9.734 6.301) 12.174 0.708 ( 2.479 12.391 7.021) 14.456 1.416 ( 1.838 7.709 1.128) 8.005 1.644 ( 6.461 9.532 2.452) 11.773 1.710 ( 4.699 9.937 3.486) 11.531 2.061 ( 3.608 2.882 6.528) 7.996 2.863 ( 11.321 -0.383 0.041) 11.328 4.166 ( 9.620 -8.097 -16.078) 20.411 4.584 ( -1.811 -10.975 -0.369) 11.130 5.022 ( -5.209 6.368 3.296) 8.862 5.086 ( -4.873 9.089 0.023) 10.313 6.010 ( -1.006 -1.325 -1.176) 2.037 ======================= Grid point 197 (78/413) ======================= q-point: ( 0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 4.775 2.346 8.891) 10.361 0.819 ( 5.470 8.570 8.396) 13.185 1.449 ( 2.084 2.777 -1.100) 3.642 1.682 ( -0.035 -0.278 -2.094) 2.112 1.967 ( 14.787 14.916 4.867) 21.560 2.184 ( 6.467 5.217 5.935) 10.211 3.038 ( 6.396 2.599 -2.913) 7.494 4.248 ( 1.778 -6.899 -17.100) 18.525 4.459 ( -8.960 3.321 4.628) 10.617 4.924 ( -1.944 3.601 1.615) 4.399 5.170 ( 9.554 1.628 -1.891) 9.874 5.970 ( -2.546 -1.861 0.098) 3.156 ======================= Grid point 198 (79/413) ======================= q-point: ( 0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( 12.222 -3.846 5.626) 13.994 0.971 ( 6.377 4.643 10.227) 12.916 1.497 ( 3.013 -0.016 -1.855) 3.538 1.657 ( -1.288 -2.038 -2.041) 3.159 2.265 ( 12.636 7.377 3.209) 14.980 2.350 ( 7.910 6.715 3.700) 11.016 3.102 ( 1.509 7.991 -4.289) 9.194 4.070 ( -11.242 -8.130 -16.337) 21.433 4.371 ( -1.783 16.390 4.005) 16.966 4.945 ( 2.459 2.939 -0.264) 3.841 5.374 ( 10.477 -0.562 -4.068) 11.253 5.929 ( -1.477 -3.787 3.728) 5.515 ======================= Grid point 199 (80/413) ======================= q-point: ( 0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 11.099 -1.770 1.854) 11.391 1.159 ( 9.659 -2.783 11.730) 15.448 1.525 ( -0.619 -1.666 -2.438) 3.017 1.658 ( 3.428 -2.964 -2.203) 5.039 2.456 ( 4.009 -0.995 3.961) 5.723 2.507 ( 6.522 3.648 1.315) 7.588 3.102 ( 0.909 16.242 -2.108) 16.403 3.768 ( -12.182 -1.570 -16.246) 20.366 4.385 ( 2.443 13.106 -3.471) 13.776 4.970 ( -0.862 9.997 1.480) 10.143 5.526 ( 6.997 -1.185 -9.397) 11.776 5.964 ( 2.627 -4.953 10.170) 11.613 ======================= Grid point 200 (81/413) ======================= q-point: ( 0.38 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 4.912 1.375 5.019) 7.156 1.429 ( 10.527 -7.454 6.379) 14.390 1.481 ( 0.006 -3.358 -3.347) 4.741 1.769 ( 7.806 -4.312 -1.819) 9.101 2.444 ( -4.914 -2.759 0.135) 5.637 2.587 ( -0.536 -5.613 5.793) 8.084 3.146 ( 2.969 19.975 -0.376) 20.198 3.525 ( -5.095 10.198 -13.780) 17.884 4.405 ( 1.528 9.053 -15.632) 18.129 4.931 ( -2.657 13.083 3.613) 13.831 5.609 ( 4.830 -0.638 -9.067) 10.293 6.073 ( 3.253 -3.746 12.869) 13.792 ======================= Grid point 201 (82/413) ======================= q-point: ( 0.46 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -1.019 -0.061 3.420) 3.569 1.439 ( 0.495 -2.088 0.767) 2.279 1.654 ( 6.127 -6.586 0.440) 9.006 1.949 ( 9.717 -7.407 -0.512) 12.229 2.310 ( -7.233 -5.778 -0.651) 9.281 2.535 ( -5.061 -6.651 6.857) 10.811 3.173 ( 0.550 16.396 -3.511) 16.777 3.508 ( 5.122 22.988 -3.467) 23.806 4.299 ( -4.923 10.162 -25.278) 27.686 4.938 ( 2.732 8.469 1.625) 9.046 5.657 ( 2.202 1.526 -5.433) 6.057 6.157 ( 0.381 -3.012 12.901) 13.254 ======================= Grid point 202 (83/413) ======================= q-point: (-0.46 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -5.413 -1.479 -0.358) 5.623 1.479 ( 1.011 -2.391 4.252) 4.982 1.670 ( -3.736 -4.138 0.244) 5.580 2.017 ( -6.027 -6.066 0.709) 8.580 2.263 ( 5.339 -9.039 -1.142) 10.560 2.515 ( 1.405 -3.729 6.041) 7.237 3.164 ( -0.192 16.023 -2.652) 16.242 3.634 ( 6.442 25.546 1.452) 26.385 4.074 ( -6.818 13.332 -28.005) 31.757 5.036 ( 7.173 3.135 -5.157) 9.374 5.652 ( -1.606 2.957 -1.099) 3.539 6.172 ( -3.135 -3.791 12.258) 13.208 ======================= Grid point 203 (84/413) ======================= q-point: (-0.38 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -7.601 -1.992 -1.525) 8.004 1.409 ( -10.370 -4.139 4.684) 12.108 1.627 ( 0.498 -1.189 3.593) 3.818 1.857 ( -8.021 -4.647 0.936) 9.317 2.358 ( 2.048 -5.092 -1.373) 5.657 2.586 ( 1.957 -2.739 4.664) 5.752 3.157 ( 0.393 16.603 -0.481) 16.615 3.665 ( -3.743 19.940 -15.823) 25.729 3.968 ( 6.858 18.404 -11.635) 22.828 5.170 ( 8.534 0.580 -11.013) 13.945 5.587 ( -5.275 2.848 4.374) 7.421 6.122 ( -5.741 -6.185 11.174) 14.002 ======================= Grid point 204 (85/413) ======================= q-point: (-0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -9.864 -2.483 -0.424) 10.180 1.184 ( -12.571 -1.270 6.478) 14.199 1.633 ( -3.231 -2.509 2.360) 4.723 1.754 ( -1.255 -1.994 2.745) 3.618 2.312 ( -5.614 1.622 -2.444) 6.334 2.559 ( -6.889 1.581 3.705) 7.980 3.152 ( -2.089 7.711 -6.755) 10.462 3.543 ( 1.978 28.244 -16.187) 32.614 4.158 ( 12.286 11.169 -5.317) 17.435 5.269 ( 4.309 2.175 -14.865) 15.629 5.499 ( -4.770 -0.456 11.706) 12.648 6.033 ( -6.223 -9.415 9.131) 14.516 ======================= Grid point 205 (86/413) ======================= q-point: (-0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( -10.424 -1.612 3.815) 11.217 0.972 ( -10.747 2.832 6.407) 12.828 1.541 ( -4.811 -1.959 0.063) 5.195 1.790 ( 1.892 -0.280 5.066) 5.415 2.143 ( -9.181 6.374 -4.604) 12.088 2.346 ( -15.009 8.719 4.753) 17.997 2.996 ( -7.500 4.755 -17.917) 19.997 3.660 ( 10.561 29.375 -4.454) 31.532 4.371 ( 10.424 0.705 -7.681) 12.967 5.218 ( -3.849 6.488 -6.835) 10.180 5.501 ( -0.688 -6.891 11.242) 13.204 5.957 ( -3.193 -10.652 4.793) 12.109 ======================= Grid point 206 (87/413) ======================= q-point: (-0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -5.126 3.471 7.680) 9.864 0.801 ( -8.295 7.302 5.935) 12.543 1.461 ( -3.012 0.746 -0.439) 3.134 1.829 ( -1.625 4.690 4.890) 6.968 1.951 ( -6.429 4.251 -4.968) 9.170 2.031 ( -17.177 13.095 7.736) 22.943 2.774 ( -7.844 7.661 -18.144) 21.200 3.855 ( 9.256 22.571 -4.181) 24.751 4.499 ( 4.941 -7.668 -8.244) 12.296 5.133 ( -2.190 8.110 -3.112) 8.958 5.501 ( -3.835 -11.753 14.195) 18.824 5.948 ( 1.340 -7.373 -0.423) 7.506 ======================= Grid point 207 (88/413) ======================= q-point: (-0.08 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 2.198 9.518 4.760) 10.867 0.694 ( -4.009 11.661 6.580) 13.977 1.413 ( -2.382 5.883 1.022) 6.429 1.662 ( -11.986 14.753 4.740) 19.590 1.789 ( -7.532 9.414 2.650) 12.344 1.938 ( 1.230 -1.047 5.077) 5.328 2.597 ( -2.907 8.530 -12.527) 15.432 3.979 ( 5.426 10.603 -8.464) 14.612 4.534 ( 1.705 -9.818 -4.454) 10.915 5.103 ( 0.050 6.377 -5.973) 8.738 5.446 ( -7.095 -9.494 15.195) 19.271 5.986 ( 2.387 -3.676 -2.310) 4.955 ======================= Grid point 208 (89/413) ======================= q-point: ( 0.00 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 0.767 10.521 1.673) 10.681 0.951 ( -0.296 13.308 3.470) 13.756 1.514 ( 1.677 3.286 -1.167) 3.869 1.789 ( -4.008 6.494 -4.711) 8.968 1.893 ( -1.040 12.381 8.011) 14.783 2.069 ( 2.866 9.216 7.694) 12.343 2.719 ( 5.059 3.356 -5.499) 8.191 3.945 ( 1.814 -8.191 -16.823) 18.799 4.333 ( -0.863 -11.206 -0.227) 11.242 5.098 ( -0.862 -1.125 -12.496) 12.576 5.395 ( -4.083 6.536 11.497) 13.840 5.982 ( 1.367 -1.343 3.656) 4.128 ======================= Grid point 209 (90/413) ======================= q-point: ( 0.08 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -5.310 11.042 1.275) 12.319 0.962 ( 0.133 12.587 8.106) 14.972 1.533 ( 0.247 4.547 -0.290) 4.563 1.713 ( -2.265 1.641 -4.342) 5.165 1.996 ( 7.804 12.070 6.015) 15.581 2.186 ( 6.278 9.931 5.939) 13.165 2.897 ( 12.310 1.813 -2.964) 12.791 3.976 ( 7.191 -10.301 -20.072) 23.679 4.329 ( 0.836 -13.208 -2.041) 13.391 5.072 ( 2.455 -0.311 -8.432) 8.787 5.300 ( -8.284 10.589 8.982) 16.169 5.993 ( -1.598 -0.319 4.160) 4.468 ======================= Grid point 210 (91/413) ======================= q-point: ( 0.15 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -2.754 7.571 5.460) 9.733 1.014 ( 1.772 10.339 9.746) 14.318 1.526 ( -0.438 4.640 -0.572) 4.696 1.660 ( -1.933 -1.634 -3.574) 4.379 2.184 ( 8.252 6.681 4.023) 11.355 2.351 ( 8.072 9.944 3.168) 13.194 3.114 ( 9.580 3.924 -4.594) 11.326 4.021 ( 1.394 -12.539 -18.310) 22.236 4.394 ( 9.341 -8.631 -9.731) 16.014 5.098 ( -4.831 10.105 11.189) 15.832 5.223 ( 5.213 3.630 -3.534) 7.269 5.948 ( -4.195 -0.028 4.156) 5.905 ======================= Grid point 211 (92/413) ======================= q-point: ( 0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 5.770 -0.368 7.023) 9.097 1.096 ( 2.805 7.271 10.356) 12.960 1.523 ( 0.367 2.417 -1.343) 2.789 1.606 ( -1.986 -2.752 -3.157) 4.635 2.337 ( 5.364 1.569 4.059) 6.907 2.495 ( 4.695 4.855 0.552) 6.776 3.247 ( 6.113 5.983 -5.347) 10.087 3.908 ( -4.385 -7.440 -20.423) 22.173 4.586 ( 9.972 1.766 -8.990) 13.542 5.046 ( -0.777 11.087 10.289) 15.146 5.412 ( 11.256 1.814 -0.966) 11.442 5.865 ( -5.009 -1.616 4.586) 6.981 ======================= Grid point 212 (93/413) ======================= q-point: ( 0.31 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 11.888 -6.763 4.589) 14.427 1.192 ( 3.028 4.316 10.945) 12.149 1.497 ( -2.714 -1.416 -2.890) 4.210 1.600 ( 2.965 -2.245 -2.333) 4.390 2.406 ( -0.511 -4.199 4.036) 5.847 2.525 ( -1.650 -1.937 0.285) 2.560 3.347 ( 5.402 7.628 -2.684) 9.725 3.765 ( -1.104 1.395 -22.627) 22.697 4.668 ( 1.301 12.715 -4.699) 13.618 5.151 ( 6.080 8.670 5.817) 12.082 5.576 ( 4.261 6.171 -5.324) 9.196 5.842 ( 2.525 -6.921 9.092) 11.702 ======================= Grid point 213 (94/413) ======================= q-point: ( 0.38 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 11.566 -6.721 0.398) 13.383 1.293 ( 3.945 -0.839 11.435) 12.126 1.423 ( -2.799 -2.847 -3.549) 5.342 1.686 ( 5.734 -3.823 -1.567) 7.067 2.333 ( -7.228 -7.863 1.447) 10.778 2.452 ( -5.915 -7.851 4.331) 10.742 3.425 ( 3.265 8.572 -5.215) 10.552 3.756 ( 7.093 10.554 -14.438) 19.240 4.641 ( -1.670 13.584 -8.161) 15.934 5.223 ( -1.669 14.849 4.750) 15.680 5.620 ( 4.744 2.088 -6.851) 8.590 5.981 ( 5.459 -5.145 10.324) 12.762 ======================= Grid point 214 (95/413) ======================= q-point: ( 0.46 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -2.910 -0.790 -0.290) 3.029 1.399 ( 1.079 -1.587 3.597) 4.077 1.486 ( 9.682 -9.467 0.040) 13.541 1.800 ( 5.322 -6.958 1.060) 8.824 2.165 ( -8.836 -8.180 0.364) 12.047 2.354 ( -4.222 -10.750 6.616) 13.310 3.451 ( 2.071 10.888 -8.426) 13.922 3.913 ( 9.918 15.102 -1.788) 18.156 4.542 ( -4.110 13.652 -14.958) 20.664 5.169 ( -3.062 13.647 0.815) 14.010 5.702 ( 4.021 3.062 -3.801) 6.324 6.085 ( 1.013 -3.868 10.086) 10.850 ======================= Grid point 215 (96/413) ======================= q-point: (-0.46 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -6.063 -2.358 -2.120) 6.842 1.427 ( -1.474 -2.491 5.263) 6.007 1.578 ( 0.052 -4.751 -0.533) 4.781 1.871 ( -2.295 -8.157 3.584) 9.201 2.060 ( 2.192 -10.542 -0.298) 10.771 2.373 ( 3.795 -9.333 5.526) 11.491 3.451 ( 0.217 11.823 -6.162) 13.334 4.093 ( 6.248 18.108 4.723) 19.729 4.395 ( -3.260 16.877 -19.714) 26.155 5.141 ( 1.135 7.489 -4.149) 8.636 5.729 ( -0.653 4.624 -1.370) 4.867 6.086 ( -4.435 -4.567 9.953) 11.815 ======================= Grid point 216 (97/413) ======================= q-point: (-0.38 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -8.445 -3.395 -1.295) 9.194 1.332 ( -8.820 -2.812 6.242) 11.165 1.587 ( 0.897 -2.644 2.075) 3.479 1.766 ( -5.861 -4.085 1.631) 7.328 2.190 ( 6.993 -10.777 0.397) 12.853 2.492 ( 5.181 -6.545 3.147) 8.921 3.406 ( -3.106 10.345 -5.302) 12.032 4.132 ( -1.352 21.237 -5.479) 21.974 4.355 ( 3.978 19.199 -8.792) 21.488 5.187 ( 5.240 1.348 -6.630) 8.557 5.667 ( -5.142 5.090 0.419) 7.247 5.984 ( -8.754 -7.072 9.753) 14.892 ======================= Grid point 217 (98/413) ======================= q-point: (-0.31 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( -9.611 -2.875 1.979) 10.225 1.174 ( -8.590 0.602 6.754) 10.944 1.576 ( -2.901 -2.913 -0.107) 4.112 1.717 ( 0.634 -1.533 3.399) 3.782 2.282 ( 1.448 -4.688 0.395) 4.922 2.561 ( 0.216 -1.975 1.473) 2.473 3.283 ( -6.208 7.723 -10.672) 14.563 4.111 ( 2.228 22.558 -6.250) 23.514 4.406 ( 2.789 14.368 -6.731) 16.110 5.286 ( 5.448 -0.726 -2.703) 6.125 5.539 ( -7.515 4.588 1.447) 8.923 5.827 ( -9.033 -10.441 8.292) 16.104 ======================= Grid point 218 (99/413) ======================= q-point: (-0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( -5.823 1.715 5.018) 7.876 1.043 ( -6.677 4.248 6.587) 10.297 1.513 ( -2.344 -0.887 -1.640) 2.995 1.771 ( 2.642 -1.088 4.497) 5.328 2.246 ( -4.731 3.037 -0.177) 5.624 2.496 ( -7.274 5.208 1.218) 9.029 3.103 ( -6.706 6.181 -15.649) 18.113 4.153 ( 2.298 14.358 -4.096) 15.106 4.416 ( 1.372 7.524 -9.688) 12.343 5.345 ( -0.962 -0.431 7.240) 7.317 5.393 ( -7.284 2.740 1.362) 7.901 5.739 ( -0.432 -10.483 2.878) 10.880 ======================= Grid point 219 (100/413) ======================= q-point: (-0.15 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 1.870 7.819 3.684) 8.844 0.957 ( -4.133 8.077 7.232) 11.603 1.481 ( -0.175 1.060 -2.327) 2.564 1.842 ( 2.632 -0.640 4.964) 5.655 2.111 ( -7.731 8.951 -2.229) 12.036 2.294 ( -12.689 11.728 2.817) 17.507 2.916 ( -6.624 5.975 -14.924) 17.387 4.124 ( -3.292 -0.958 -7.110) 7.894 4.405 ( 0.426 3.170 -8.438) 9.024 5.265 ( -5.353 -0.081 -0.838) 5.419 5.343 ( -1.087 1.251 11.619) 11.737 5.808 ( 5.168 -6.233 1.250) 8.193 ======================= Grid point 220 (101/413) ======================= q-point: (-0.08 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 4.822 9.620 0.571) 10.776 0.935 ( -0.602 12.141 6.689) 13.875 1.487 ( 1.408 2.345 -2.245) 3.539 1.891 ( -0.850 0.109 1.068) 1.370 1.947 ( -6.614 12.661 -0.827) 14.308 2.073 ( -8.459 14.022 7.956) 18.206 2.751 ( -4.480 5.726 -10.676) 12.917 4.014 ( -3.330 -7.783 -11.431) 14.224 4.368 ( -1.573 -4.596 -4.247) 6.452 5.171 ( -2.647 -0.719 -8.373) 8.811 5.385 ( 0.158 3.427 12.952) 13.399 5.914 ( 4.194 -3.199 2.630) 5.894 ======================= Grid point 221 (102/413) ======================= q-point: ( 0.00 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 2.159 8.470 2.428) 9.071 1.226 ( -0.444 14.173 2.048) 14.327 1.538 ( 2.199 -0.766 -1.502) 2.771 1.882 ( -3.832 4.404 -2.126) 6.213 2.123 ( -0.850 10.921 1.149) 11.014 2.306 ( 2.102 11.448 6.765) 13.462 2.721 ( 2.074 -3.552 -2.396) 4.760 3.669 ( 2.319 -19.300 -10.247) 21.974 4.211 ( -3.596 0.257 -12.468) 12.978 5.033 ( 0.160 -5.141 -17.934) 18.657 5.536 ( -1.722 6.972 11.125) 13.242 5.959 ( 1.629 -1.045 9.386) 9.583 ======================= Grid point 222 (103/413) ======================= q-point: ( 0.08 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -4.559 10.427 -0.633) 11.397 1.217 ( -1.429 12.898 8.735) 15.643 1.576 ( 1.528 -0.682 -0.566) 1.766 1.778 ( -4.906 5.486 -3.881) 8.320 2.179 ( 4.447 7.085 2.938) 8.866 2.403 ( 4.855 9.236 3.847) 11.121 2.881 ( 13.347 -3.730 -0.561) 13.870 3.716 ( 5.733 -16.728 -13.781) 22.419 4.144 ( 2.140 -2.622 -14.138) 14.538 5.014 ( 4.413 -5.312 -16.186) 17.598 5.502 ( -5.216 9.453 11.255) 15.597 5.993 ( -1.482 0.037 9.373) 9.490 ======================= Grid point 223 (104/413) ======================= q-point: ( 0.15 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -5.916 10.503 0.485) 12.064 1.229 ( -1.085 10.914 11.864) 16.157 1.581 ( -0.986 -1.665 -1.015) 2.185 1.676 ( -3.670 5.868 -3.218) 7.633 2.278 ( 3.611 2.588 3.306) 5.538 2.498 ( 3.143 3.375 1.140) 4.751 3.157 ( 12.288 -0.018 -2.009) 12.451 3.772 ( 4.605 -12.330 -17.190) 21.650 4.239 ( 13.395 -4.114 -16.141) 21.375 5.117 ( 10.235 -5.470 -8.588) 14.438 5.423 ( -5.934 12.627 10.836) 17.666 5.966 ( -4.259 1.351 8.662) 9.747 ======================= Grid point 224 (105/413) ======================= q-point: ( 0.23 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( -1.537 6.417 3.960) 7.696 1.255 ( -0.281 8.383 11.552) 14.276 1.531 ( -3.043 -3.131 -2.813) 5.194 1.615 ( -1.726 5.223 -1.805) 5.789 2.325 ( -0.534 -3.289 4.137) 5.312 2.519 ( -1.472 -2.341 -0.285) 2.780 3.330 ( 6.848 2.377 -3.846) 8.206 3.782 ( 3.757 -5.308 -22.247) 23.178 4.543 ( 19.718 -2.222 -12.968) 23.704 5.322 ( 4.495 7.220 7.164) 11.120 5.390 ( 6.282 2.089 1.682) 6.831 5.885 ( -6.420 2.956 7.100) 10.019 ======================= Grid point 225 (106/413) ======================= q-point: ( 0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( 5.524 -0.954 5.097) 7.577 1.297 ( 0.509 5.726 10.803) 12.238 1.450 ( -3.880 -3.189 -3.256) 5.986 1.595 ( 0.577 1.964 -2.173) 2.985 2.277 ( -5.741 -8.629 4.719) 11.388 2.436 ( -6.656 -6.678 0.106) 9.429 3.444 ( 6.481 3.295 -4.541) 8.572 3.799 ( 6.244 1.084 -21.640) 22.549 4.834 ( 10.728 4.514 -8.198) 14.236 5.381 ( 4.187 13.691 7.583) 16.201 5.647 ( 12.911 -6.323 3.004) 14.687 5.768 ( -6.655 5.360 3.729) 9.324 ======================= Grid point 226 (107/413) ======================= q-point: ( 0.38 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 10.557 -7.109 3.368) 13.166 1.343 ( -0.938 3.469 8.575) 9.298 1.359 ( -2.518 -3.315 -2.653) 4.936 1.626 ( 3.059 -1.729 -1.644) 3.880 2.144 ( -8.667 -10.501 5.139) 14.553 2.271 ( -9.375 -9.885 1.727) 13.732 3.554 ( 6.330 5.138 -8.379) 11.691 3.900 ( 9.607 3.718 -11.023) 15.087 4.900 ( -0.437 11.104 -5.523) 12.409 5.502 ( 1.150 12.218 4.246) 12.985 5.681 ( 0.729 2.260 1.537) 2.829 5.889 ( 9.017 -2.533 3.092) 9.863 ======================= Grid point 227 (108/413) ======================= q-point: ( 0.46 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 0.162 -5.479 -1.145) 5.600 1.308 ( 6.805 -7.148 -1.479) 9.979 1.390 ( 0.423 0.799 6.734) 6.795 1.676 ( 0.651 -5.141 2.395) 5.708 1.991 ( -7.605 -8.814 2.617) 11.932 2.121 ( -4.699 -11.819 4.835) 13.606 3.631 ( 4.357 7.526 -9.261) 12.704 4.097 ( 11.246 3.998 0.680) 11.955 4.823 ( -4.010 13.217 -8.754) 16.353 5.428 ( -5.992 10.123 0.703) 11.784 5.782 ( 5.157 4.879 0.231) 7.103 6.017 ( 2.317 -2.192 4.290) 5.346 ======================= Grid point 228 (109/413) ======================= q-point: (-0.46 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -6.975 -3.620 -1.368) 7.976 1.391 ( -3.191 -0.855 5.844) 6.713 1.477 ( 5.651 -5.555 -3.569) 8.691 1.693 ( 1.588 -9.053 9.090) 12.927 1.864 ( -4.007 -8.187 -0.573) 9.133 2.164 ( 6.130 -10.856 4.293) 13.186 3.662 ( 0.930 9.611 -5.080) 10.910 4.323 ( 8.474 4.868 8.707) 13.089 4.711 ( -2.140 13.913 -14.574) 20.262 5.314 ( -4.608 7.911 -3.710) 9.879 5.835 ( -0.257 5.587 0.714) 5.639 6.006 ( -4.946 -2.546 4.854) 7.383 ======================= Grid point 229 (110/413) ======================= q-point: (-0.38 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -8.213 -2.491 1.416) 8.698 1.305 ( -6.258 0.052 5.712) 8.473 1.524 ( 1.037 -3.503 -0.731) 3.725 1.702 ( -2.436 -2.025 2.949) 4.328 1.942 ( 9.338 -13.344 1.846) 16.391 2.328 ( 8.000 -9.395 2.152) 12.526 3.622 ( -3.927 11.355 -2.135) 12.203 4.427 ( -1.220 8.014 5.635) 9.873 4.696 ( 5.140 13.169 -10.942) 17.877 5.233 ( -1.003 2.825 -6.831) 7.460 5.781 ( -5.135 5.499 1.177) 7.616 5.862 ( -10.770 -3.845 5.359) 12.629 ======================= Grid point 230 (111/413) ======================= q-point: (-0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( -5.335 2.205 3.708) 6.861 1.207 ( -5.299 2.494 5.874) 8.295 1.519 ( -0.776 -2.815 -2.157) 3.630 1.703 ( 1.552 0.511 3.198) 3.591 2.128 ( 7.635 -10.255 1.570) 12.881 2.471 ( 5.246 -6.807 0.693) 8.622 3.485 ( -8.413 11.999 -5.070) 15.507 4.369 ( -4.905 5.515 -0.160) 7.382 4.738 ( 0.523 14.882 -7.424) 16.639 5.248 ( 3.794 -3.134 -3.123) 5.828 5.645 ( -11.254 -5.006 4.448) 13.096 5.658 ( -6.952 5.139 2.257) 8.935 ======================= Grid point 231 (112/413) ======================= q-point: (-0.23 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.805 8.309 2.424) 8.692 1.140 ( -3.366 5.315 6.806) 9.269 1.496 ( -0.233 -1.175 -3.497) 3.697 1.769 ( 3.391 1.460 3.865) 5.345 2.240 ( 2.728 -4.029 1.977) 5.252 2.530 ( 0.296 -2.004 0.322) 2.051 3.263 ( -10.593 9.845 -10.330) 17.772 4.210 ( -11.090 -2.864 -1.960) 11.621 4.671 ( -3.672 11.330 -10.219) 15.693 5.277 ( -3.246 -3.168 6.040) 7.554 5.494 ( -3.949 0.295 -4.981) 6.363 5.592 ( 1.232 0.184 8.161) 8.256 ======================= Grid point 232 (113/413) ======================= q-point: (-0.15 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 4.451 10.220 -1.473) 11.244 1.130 ( -0.048 9.204 8.299) 12.393 1.490 ( 0.934 -0.478 -3.863) 4.003 1.852 ( 3.343 2.230 3.911) 5.607 2.254 ( -1.766 4.070 2.383) 5.036 2.474 ( -6.186 5.448 0.297) 8.248 3.012 ( -10.241 3.979 -11.038) 15.574 3.941 ( -13.024 -12.239 -4.341) 18.392 4.529 ( -6.369 5.685 -11.607) 14.409 5.202 ( -4.286 -3.499 -0.689) 5.576 5.451 ( 0.503 5.501 1.687) 5.776 5.718 ( 6.340 -2.200 8.375) 10.732 ======================= Grid point 233 (114/413) ======================= q-point: (-0.08 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 4.336 8.554 -0.976) 9.640 1.188 ( 2.518 13.001 5.683) 14.411 1.506 ( 1.781 -0.519 -3.033) 3.556 1.912 ( 0.928 2.509 2.341) 3.554 2.199 ( -4.208 11.902 -0.444) 12.632 2.323 ( -6.770 9.634 3.790) 12.370 2.800 ( -7.298 -1.089 -6.041) 9.537 3.725 ( -5.531 -18.371 -7.292) 20.525 4.356 ( -6.308 2.661 -11.903) 13.731 5.111 ( -2.280 -4.641 -12.789) 13.795 5.499 ( 1.343 6.358 9.199) 11.263 5.863 ( 4.712 -1.857 8.999) 10.326 ======================= Grid point 234 (115/413) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 2.818 7.086 2.419) 8.000 1.484 ( 3.440 -1.718 -1.268) 4.049 1.541 ( -1.439 14.485 1.299) 14.614 1.984 ( -1.926 5.494 -0.000) 5.822 2.322 ( -5.320 7.622 -2.202) 9.552 2.480 ( 2.663 5.174 4.255) 7.209 2.595 ( 1.297 -7.233 0.719) 7.383 3.225 ( 1.440 -22.774 -3.598) 23.101 4.308 ( -2.642 8.078 -22.525) 24.076 4.897 ( 0.462 -8.155 -22.915) 24.327 5.670 ( -0.574 6.263 12.413) 13.916 5.931 ( 1.599 -1.948 12.894) 13.137 ======================= Grid point 235 (116/413) ======================= q-point: ( 0.08 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -2.329 8.420 0.048) 8.736 1.488 ( -3.575 9.760 6.111) 12.058 1.538 ( 1.367 1.984 -0.361) 2.436 1.920 ( -3.608 8.112 -1.886) 9.076 2.277 ( -0.425 1.615 1.287) 2.108 2.481 ( -0.825 -3.289 0.752) 3.473 2.805 ( 16.006 -1.002 1.404) 16.098 3.332 ( 9.522 -19.245 -5.697) 22.215 4.216 ( 2.287 8.131 -24.357) 25.780 4.865 ( 4.581 -9.120 -21.600) 23.890 5.680 ( -2.671 8.075 12.698) 15.284 5.982 ( -0.920 -1.428 12.389) 12.505 ======================= Grid point 236 (117/413) ======================= q-point: ( 0.15 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -5.495 10.511 -2.719) 12.168 1.447 ( -3.435 7.848 9.261) 12.615 1.531 ( -1.898 0.529 0.274) 1.990 1.841 ( -3.713 9.730 -1.083) 10.470 2.261 ( -2.604 -5.129 3.420) 6.692 2.468 ( -1.244 -6.013 0.726) 6.183 3.145 ( 15.594 0.115 -2.165) 15.744 3.517 ( 10.975 -12.379 -12.260) 20.591 4.276 ( 12.661 7.077 -21.353) 25.814 4.953 ( 10.713 -10.201 -14.800) 20.926 5.658 ( -3.535 10.350 12.139) 16.339 5.981 ( -3.101 -0.294 11.109) 11.538 ======================= Grid point 237 (118/413) ======================= q-point: ( 0.23 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -4.743 10.327 -0.825) 11.394 1.407 ( -3.025 2.119 4.592) 5.893 1.482 ( -3.254 3.094 3.926) 5.965 1.760 ( -4.167 8.961 -0.423) 9.892 2.189 ( -5.874 -10.047 4.902) 12.628 2.411 ( -5.106 -8.029 0.667) 9.539 3.370 ( 9.083 2.279 -6.307) 11.290 3.669 ( 9.612 -6.132 -18.881) 22.056 4.570 ( 20.898 5.156 -13.446) 25.379 5.183 ( 14.977 -10.454 -5.568) 19.094 5.634 ( -2.472 11.913 10.471) 16.052 5.939 ( -4.352 1.521 8.626) 9.781 ======================= Grid point 238 (119/413) ======================= q-point: ( 0.31 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -0.970 6.647 2.226) 7.076 1.351 ( -3.008 -3.929 -2.630) 5.603 1.444 ( -2.865 6.171 10.026) 12.117 1.677 ( -3.475 6.121 -1.267) 7.151 2.067 ( -8.095 -11.693 6.665) 15.706 2.265 ( -9.286 -9.899 0.144) 13.573 3.513 ( 8.367 3.837 -7.941) 12.156 3.785 ( 8.745 -2.608 -17.403) 19.650 4.922 ( 15.586 5.379 -7.243) 18.009 5.462 ( 11.613 -10.022 2.651) 15.567 5.650 ( 1.749 11.645 6.815) 13.605 5.883 ( -2.456 4.108 3.707) 6.054 ======================= Grid point 239 (120/413) ======================= q-point: ( 0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 4.457 0.072 3.592) 5.725 1.271 ( -3.811 -5.099 -3.700) 7.363 1.431 ( -2.065 4.844 10.236) 11.511 1.626 ( -1.115 1.771 -1.430) 2.535 1.923 ( -8.457 -10.909 8.556) 16.240 2.064 ( -10.029 -10.298 -0.436) 14.381 3.653 ( 8.239 4.912 -8.715) 12.960 3.919 ( 9.488 -1.473 -8.358) 12.730 5.089 ( 2.975 8.202 -3.502) 9.402 5.585 ( -1.697 -5.953 7.583) 9.789 5.762 ( 7.185 8.697 2.471) 11.549 5.918 ( 5.694 3.479 -2.108) 6.998 ======================= Grid point 240 (121/413) ======================= q-point: ( 0.46 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 5.116 -5.293 2.179) 7.677 1.190 ( -1.090 -5.437 -1.889) 5.859 1.424 ( -1.836 2.424 7.360) 7.963 1.596 ( -3.448 -2.884 3.744) 5.850 1.821 ( -3.861 -7.556 4.797) 9.747 1.899 ( -4.632 -9.604 1.196) 10.730 3.773 ( 6.254 6.773 -6.623) 11.351 4.110 ( 10.417 -2.103 1.810) 10.780 5.059 ( -3.378 10.201 -5.138) 11.911 5.513 ( -6.063 -1.740 3.771) 7.349 5.901 ( 4.891 6.473 1.160) 8.196 6.015 ( 3.018 1.567 -1.552) 3.738 ======================= Grid point 241 (122/413) ======================= q-point: (-0.46 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( -5.636 -2.201 1.462) 6.225 1.328 ( 10.300 -9.198 -2.674) 14.065 1.394 ( -3.700 0.879 4.989) 6.273 1.541 ( -2.200 -5.328 10.322) 11.822 1.743 ( -3.411 -3.739 -0.377) 5.075 1.953 ( 6.829 -9.603 2.963) 12.151 3.853 ( 2.822 9.508 -0.844) 9.954 4.328 ( 8.673 -3.344 9.518) 13.304 4.954 ( -3.457 10.442 -10.533) 15.229 5.389 ( -6.535 -1.013 -1.271) 6.734 5.943 ( -1.644 4.908 2.604) 5.794 6.004 ( -3.490 1.937 -1.842) 4.396 ======================= Grid point 242 (123/413) ======================= q-point: (-0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -3.578 3.105 3.322) 5.786 1.324 ( -4.280 1.445 4.571) 6.426 1.446 ( 2.353 -4.383 -3.895) 6.318 1.649 ( 8.343 -10.349 9.916) 16.585 1.713 ( 1.211 -1.328 -1.248) 2.188 2.127 ( 8.878 -10.217 1.764) 13.650 3.865 ( -2.673 12.530 3.562) 13.298 4.473 ( 0.141 -2.879 13.206) 13.517 4.893 ( 2.692 7.464 -13.428) 15.597 5.248 ( -5.900 -2.345 -6.736) 9.256 5.837 ( -10.107 2.741 5.295) 11.734 5.895 ( -5.784 3.861 -2.806) 7.499 ======================= Grid point 243 (124/413) ======================= q-point: (-0.31 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 1.259 9.505 2.059) 9.807 1.268 ( -2.841 3.349 5.392) 6.954 1.457 ( 0.577 -3.372 -3.285) 4.743 1.754 ( 3.552 4.637 1.721) 6.089 1.881 ( 10.404 -13.674 3.976) 17.636 2.300 ( 7.582 -9.719 0.888) 12.358 3.753 ( -9.723 14.125 1.986) 17.263 4.400 ( -10.462 -2.211 7.627) 13.135 4.928 ( 0.404 4.540 -7.419) 8.707 5.145 ( 0.733 -6.564 -11.177) 12.982 5.634 ( -10.559 4.045 6.779) 13.183 5.758 ( -6.697 3.517 -0.663) 7.593 ======================= Grid point 244 (125/413) ======================= q-point: (-0.23 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 3.841 11.954 -2.508) 12.804 1.259 ( 0.085 6.375 7.482) 9.830 1.457 ( 0.812 -2.354 -3.820) 4.560 1.845 ( 4.609 5.720 1.571) 7.512 2.086 ( 8.529 -10.545 3.849) 14.098 2.426 ( 4.645 -7.734 0.784) 9.056 3.491 ( -15.885 12.273 -3.033) 20.301 4.117 ( -19.395 -6.183 3.665) 20.684 4.814 ( -6.312 4.172 -11.677) 13.915 5.165 ( 1.257 -7.777 -9.850) 12.613 5.523 ( -2.197 4.782 7.580) 9.228 5.661 ( -2.619 3.029 5.043) 6.439 ======================= Grid point 245 (126/413) ======================= q-point: (-0.15 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.718 9.579 -4.437) 10.901 1.326 ( 3.687 8.524 6.321) 11.235 1.470 ( 1.934 0.611 -2.915) 3.552 1.935 ( 3.579 5.331 1.550) 6.605 2.247 ( 6.165 -4.620 4.498) 8.921 2.489 ( 1.152 -3.972 1.150) 4.293 3.116 ( -19.366 6.973 -5.610) 21.333 3.697 ( -21.317 -11.406 0.064) 24.177 4.636 ( -6.402 5.672 -15.567) 17.762 5.098 ( -2.821 -6.997 -13.724) 15.661 5.556 ( 1.697 5.023 6.957) 8.747 5.708 ( 3.420 0.228 12.107) 12.583 ======================= Grid point 246 (127/413) ======================= q-point: (-0.08 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 3.015 7.728 -1.305) 8.398 1.415 ( 3.625 2.578 0.594) 4.487 1.518 ( 2.826 8.977 0.186) 9.413 1.989 ( 1.096 4.536 1.405) 4.873 2.371 ( 4.773 2.709 5.302) 7.631 2.464 ( -4.654 4.440 -0.715) 6.472 2.738 ( -14.306 -2.623 -3.024) 14.855 3.341 ( -12.111 -18.279 -2.870) 22.114 4.460 ( -5.083 7.226 -19.163) 21.101 4.988 ( -1.919 -7.401 -19.678) 21.111 5.620 ( 1.325 5.479 10.647) 12.047 5.831 ( 3.768 -1.615 12.971) 13.604 ======================= Grid point 247 (128/413) ======================= q-point: ( 0.00 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 2.745 6.254 1.532) 6.999 1.397 ( 2.586 -5.246 0.282) 5.856 1.882 ( 0.707 16.662 -0.050) 16.677 2.072 ( 0.777 0.738 0.777) 1.324 2.363 ( -6.896 -2.890 -2.552) 7.901 2.404 ( -4.784 -7.075 -0.471) 8.554 2.629 ( 4.864 7.249 3.019) 9.236 2.831 ( 1.164 -14.374 0.761) 14.441 4.501 ( -1.178 10.427 -25.990) 28.028 4.711 ( -0.060 -10.050 -25.767) 27.658 5.786 ( 0.405 5.166 13.745) 14.689 5.875 ( 1.176 -3.618 14.115) 14.618 ======================= Grid point 248 (129/413) ======================= q-point: ( 0.08 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -0.640 6.551 0.725) 6.622 1.430 ( 0.050 -5.187 0.487) 5.210 1.843 ( -4.246 17.191 2.795) 17.927 2.076 ( -0.650 3.551 1.004) 3.747 2.208 ( -7.084 -5.582 -0.596) 9.039 2.323 ( -1.976 -9.447 -0.196) 9.653 2.856 ( 15.380 4.983 0.255) 16.169 3.012 ( 14.194 -11.430 -2.208) 18.358 4.422 ( 3.002 11.474 -26.239) 28.795 4.656 ( 3.906 -11.292 -24.889) 27.608 5.826 ( -1.167 6.245 13.530) 14.947 5.929 ( -0.666 -3.883 13.546) 14.107 ======================= Grid point 249 (130/413) ======================= q-point: ( 0.15 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -3.768 8.136 -2.834) 9.404 1.398 ( -2.672 -5.744 -1.864) 6.604 1.760 ( -5.561 14.967 7.594) 17.681 2.047 ( -3.164 -0.398 1.783) 3.653 2.074 ( -6.643 -1.672 3.114) 7.525 2.292 ( -2.461 -10.687 1.422) 11.058 3.186 ( 16.505 3.908 -5.230) 17.749 3.305 ( 15.544 -8.143 -8.596) 19.540 4.476 ( 11.367 11.759 -21.157) 26.741 4.723 ( 10.770 -12.191 -18.615) 24.721 5.835 ( -2.210 7.109 12.325) 14.399 5.943 ( -2.199 -3.582 12.079) 12.789 ======================= Grid point 250 (131/413) ======================= q-point: ( 0.23 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -4.520 9.448 -3.829) 11.151 1.323 ( -3.608 -6.580 -3.960) 8.485 1.678 ( -5.766 12.265 10.628) 17.223 1.941 ( -7.721 -11.667 7.987) 16.110 1.973 ( -5.414 9.781 0.096) 11.180 2.209 ( -6.419 -11.488 1.217) 13.216 3.436 ( 11.435 4.348 -10.452) 16.090 3.543 ( 12.038 -6.007 -14.529) 19.802 4.732 ( 18.628 10.162 -11.746) 24.254 4.956 ( 16.337 -11.589 -8.801) 21.878 5.829 ( -2.035 7.327 9.932) 12.509 5.929 ( -2.704 -2.643 9.405) 10.136 ======================= Grid point 251 (132/413) ======================= q-point: ( 0.31 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -3.731 9.179 -1.801) 10.071 1.234 ( -3.725 -7.204 -3.974) 9.032 1.605 ( -5.323 9.388 11.558) 15.814 1.810 ( -8.390 -5.274 8.756) 13.224 1.852 ( -6.177 2.934 0.424) 6.852 2.050 ( -9.125 -10.931 -0.209) 14.240 3.603 ( 9.545 4.935 -10.973) 15.358 3.705 ( 9.714 -4.895 -13.890) 17.642 5.064 ( 15.239 8.495 -4.185) 17.941 5.255 ( 13.327 -10.137 -0.519) 16.752 5.837 ( 0.633 6.614 5.776) 8.804 5.915 ( -0.630 -1.109 4.863) 5.027 ======================= Grid point 252 (133/413) ======================= q-point: ( 0.38 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -1.399 6.092 1.238) 6.372 1.149 ( -3.680 -6.877 -1.997) 8.051 1.543 ( -4.852 6.348 11.089) 13.667 1.670 ( -7.955 -2.120 6.978) 10.792 1.749 ( -4.168 -1.286 2.254) 4.909 1.868 ( -7.955 -8.684 -1.667) 11.895 3.756 ( 9.096 5.196 -8.017) 13.191 3.856 ( 9.374 -4.398 -7.540) 12.809 5.253 ( 3.932 8.336 0.120) 9.217 5.426 ( 2.513 -8.625 4.405) 10.005 5.909 ( 5.151 5.078 0.939) 7.294 5.960 ( 4.305 -0.000 -0.379) 4.322 ======================= Grid point 253 (134/413) ======================= q-point: ( 0.46 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 1.423 0.519 2.917) 3.286 1.082 ( -2.081 -4.806 0.920) 5.318 1.483 ( -4.475 3.262 8.311) 9.987 1.546 ( -6.689 -2.646 7.269) 10.227 1.715 ( -0.074 -2.025 1.711) 2.652 1.749 ( -2.722 -4.960 -1.107) 5.765 3.909 ( 7.870 6.565 -2.795) 10.623 4.031 ( 9.210 -5.314 0.438) 10.642 5.247 ( -3.343 8.695 -1.123) 9.383 5.410 ( -4.303 -7.222 2.767) 8.850 6.009 ( 3.669 3.673 -0.610) 5.227 6.042 ( 3.015 0.281 -1.834) 3.540 ======================= Grid point 254 (135/413) ======================= q-point: (-0.46 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -0.458 2.736 3.125) 4.178 1.141 ( 6.272 -8.128 1.634) 10.396 1.423 ( -3.803 1.787 5.402) 6.844 1.466 ( -3.512 -2.644 6.748) 8.054 1.716 ( 1.150 1.212 0.485) 1.740 1.792 ( 5.139 -6.113 1.638) 8.152 4.044 ( 5.127 9.192 3.905) 11.226 4.215 ( 7.232 -7.414 7.635) 12.867 5.144 ( -5.074 8.561 -6.069) 11.656 5.301 ( -6.334 -6.713 -2.118) 9.469 6.023 ( -2.585 2.665 0.180) 3.717 6.041 ( -2.516 0.844 -1.939) 3.287 ======================= Grid point 255 (136/413) ======================= q-point: (-0.38 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 3.247 9.339 2.057) 10.099 1.278 ( 5.528 -9.809 -2.393) 11.511 1.386 ( -0.762 1.777 3.950) 4.398 1.458 ( 0.934 -5.675 8.170) 9.991 1.778 ( 4.526 5.735 1.352) 7.429 1.930 ( 7.647 -8.953 1.615) 11.884 4.118 ( -0.787 12.227 9.130) 15.280 4.342 ( 0.662 -9.388 13.102) 16.132 5.029 ( -2.565 6.382 -11.328) 13.253 5.155 ( -6.066 -5.948 -7.993) 11.665 5.909 ( -8.343 3.218 1.019) 9.000 5.940 ( -6.736 0.343 -1.020) 6.821 ======================= Grid point 256 (137/413) ======================= q-point: (-0.31 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 4.499 11.749 -2.614) 12.850 1.312 ( 0.292 -2.016 -0.225) 2.049 1.414 ( 2.167 2.328 2.276) 3.911 1.592 ( 8.594 -13.323 5.753) 16.866 1.896 ( 6.283 8.676 2.530) 11.007 2.093 ( 7.763 -10.396 1.542) 13.066 4.038 ( -10.926 13.661 8.496) 19.447 4.280 ( -11.903 -9.521 11.913) 19.346 4.978 ( -0.275 1.689 -10.505) 10.643 5.031 ( -1.188 -4.063 -13.471) 14.121 5.735 ( -8.624 4.496 3.149) 10.223 5.789 ( -7.482 -0.621 0.862) 7.557 ======================= Grid point 257 (138/413) ======================= q-point: (-0.23 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 1.669 8.504 -5.320) 10.169 1.320 ( 0.695 -3.168 -1.847) 3.733 1.510 ( 6.240 10.870 4.310) 13.254 1.787 ( 8.953 -13.989 1.336) 16.662 2.039 ( 6.609 8.787 4.617) 11.925 2.240 ( 6.138 -10.193 2.050) 12.073 3.740 ( -20.281 11.908 3.354) 23.757 3.958 ( -22.309 -9.477 6.268) 25.036 4.894 ( -2.960 4.473 -13.720) 14.732 5.009 ( 0.893 -6.973 -14.083) 15.740 5.628 ( -3.127 4.484 7.059) 8.928 5.684 ( -3.349 -0.865 5.631) 6.608 ======================= Grid point 258 (139/413) ======================= q-point: (-0.15 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 1.022 7.210 -3.990) 8.304 1.327 ( 0.982 -4.782 -2.672) 5.565 1.667 ( 7.615 14.778 2.416) 16.799 1.944 ( 6.454 -9.448 -1.279) 11.513 2.191 ( 6.722 4.583 6.319) 10.301 2.349 ( 3.899 -8.643 3.066) 9.965 3.286 ( -24.460 9.370 -0.281) 26.195 3.482 ( -25.178 -10.033 1.983) 27.175 4.771 ( -3.588 7.622 -18.583) 20.403 4.936 ( -2.074 -8.467 -18.660) 20.596 5.647 ( 1.155 3.691 10.220) 10.927 5.699 ( 1.392 -1.405 11.582) 11.750 ======================= Grid point 259 (140/413) ======================= q-point: (-0.08 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 2.178 6.794 -1.375) 7.266 1.349 ( 2.065 -5.337 -1.572) 5.935 1.811 ( 5.853 15.513 0.326) 16.583 2.035 ( 3.140 -3.324 -0.717) 4.629 2.344 ( 6.017 -1.176 4.804) 7.789 2.420 ( 2.052 -6.482 3.055) 7.454 2.815 ( -20.369 8.768 -1.506) 22.227 3.028 ( -18.727 -12.542 -0.183) 22.540 4.631 ( -3.017 9.268 -22.997) 24.978 4.819 ( -1.969 -9.108 -23.188) 24.990 5.718 ( 1.594 4.192 12.712) 13.480 5.789 ( 2.469 -2.742 13.789) 14.274 ======================= Grid point 338 (141/413) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( -4.633 0.000 11.913) 12.783 0.586 ( -0.414 0.000 12.169) 12.176 1.252 ( -0.542 0.000 8.783) 8.799 1.426 ( -0.788 0.000 -3.842) 3.922 1.479 ( -5.474 0.000 17.390) 18.231 2.142 ( 1.341 0.000 8.098) 8.208 3.495 ( -1.182 0.000 11.558) 11.618 3.630 ( 42.288 0.000 8.801) 43.194 4.556 ( -5.774 0.000 -9.270) 10.922 4.830 ( 0.531 0.000 -7.569) 7.587 5.365 ( -28.961 0.000 2.119) 29.039 5.890 ( 3.018 0.000 -10.586) 11.007 ======================= Grid point 339 (142/413) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 3.082 0.000 12.963) 13.324 0.680 ( 5.402 0.000 11.246) 12.476 1.368 ( 8.137 0.000 6.093) 10.165 1.419 ( 1.519 0.000 -4.240) 4.504 1.548 ( 5.517 0.000 15.706) 16.646 2.200 ( 1.744 0.000 8.194) 8.377 3.447 ( -7.426 0.000 11.568) 13.747 4.100 ( -8.017 0.000 -7.197) 10.774 4.582 ( 23.079 0.000 -3.820) 23.393 4.740 ( -6.771 0.000 -7.783) 10.316 4.956 ( -12.178 0.000 6.231) 13.680 5.925 ( 3.760 0.000 -6.843) 7.808 ======================= Grid point 340 (143/413) ======================= q-point: ( 0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 8.526 0.000 11.900) 14.639 0.865 ( 9.224 0.000 9.397) 13.168 1.456 ( 3.532 0.000 -4.422) 5.660 1.554 ( 7.436 0.000 0.594) 7.459 1.767 ( 10.721 0.000 14.262) 17.842 2.284 ( 4.337 0.000 8.327) 9.389 3.284 ( -12.526 0.000 11.141) 16.764 3.836 ( -8.921 0.000 -10.626) 13.874 4.509 ( -13.503 0.000 -7.904) 15.646 4.801 ( -5.605 0.000 2.254) 6.041 5.034 ( 19.013 0.000 -8.221) 20.714 6.002 ( 5.257 0.000 -0.418) 5.273 ======================= Grid point 341 (144/413) ======================= q-point: ( 0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 9.262 0.000 10.650) 14.114 1.105 ( 11.702 0.000 7.483) 13.890 1.528 ( 5.243 0.000 -4.337) 6.805 1.629 ( 0.410 0.000 -1.289) 1.353 2.060 ( 13.743 0.000 10.226) 17.130 2.437 ( 7.859 0.000 7.350) 10.761 3.036 ( -15.566 0.000 10.159) 18.588 3.698 ( -0.495 0.000 -20.061) 20.067 4.153 ( -19.082 0.000 -7.817) 20.621 4.691 ( -4.656 0.000 -5.921) 7.532 5.311 ( 11.281 0.000 -4.077) 11.995 6.128 ( 6.229 0.000 5.174) 8.098 ======================= Grid point 342 (145/413) ======================= q-point: ( 0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 8.417 0.000 10.071) 13.125 1.377 ( 12.742 0.000 5.089) 13.720 1.589 ( -3.261 0.000 -1.263) 3.497 1.642 ( 7.926 0.000 -3.633) 8.719 2.360 ( 12.859 0.000 5.543) 14.003 2.626 ( 8.280 0.000 5.089) 9.719 2.748 ( -16.031 0.000 8.497) 18.144 3.630 ( 1.104 0.000 -29.438) 29.458 3.703 ( -22.824 0.000 -7.300) 23.963 4.585 ( -2.506 0.000 -11.215) 11.491 5.482 ( 6.904 0.000 0.596) 6.929 6.272 ( 5.479 0.000 7.926) 9.635 ======================= Grid point 343 (146/413) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 6.013 0.000 9.884) 11.569 1.511 ( -3.374 0.000 -1.015) 3.523 1.612 ( 8.966 0.000 1.117) 9.035 1.857 ( 14.691 0.000 -1.376) 14.756 2.470 ( -13.545 0.000 6.145) 14.874 2.585 ( 7.307 0.000 2.242) 7.643 2.794 ( 7.341 0.000 1.917) 7.587 3.207 ( -23.784 0.000 -5.981) 24.524 3.513 ( -1.865 0.000 -34.564) 34.614 4.525 ( 1.242 0.000 -16.344) 16.392 5.605 ( 4.527 0.000 5.049) 6.781 6.390 ( 3.298 0.000 8.593) 9.204 ======================= Grid point 344 (147/413) ======================= q-point: ( 0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -4.882 0.000 1.362) 5.069 1.556 ( 5.232 0.000 8.041) 9.593 1.759 ( 5.465 0.000 0.043) 5.465 2.081 ( -0.427 0.000 -0.385) 0.575 2.363 ( 8.558 0.000 1.672) 8.720 2.633 ( -2.477 0.000 -4.281) 4.946 2.746 ( -18.715 0.000 -3.291) 19.002 2.932 ( 5.397 0.000 1.146) 5.517 3.337 ( -3.364 0.000 -32.611) 32.784 4.516 ( 4.354 0.000 -21.925) 22.353 5.700 ( 2.703 0.000 8.226) 8.659 6.459 ( 0.659 0.000 8.305) 8.331 ======================= Grid point 345 (148/413) ======================= q-point: (-0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( -6.369 0.000 0.776) 6.416 1.682 ( 4.041 0.000 9.086) 9.944 1.734 ( -10.055 0.000 -0.188) 10.057 2.036 ( 1.763 0.000 -0.542) 1.844 2.347 ( -9.905 0.000 1.038) 9.960 2.472 ( -9.487 0.000 -14.097) 16.992 2.822 ( 23.162 0.000 -2.335) 23.280 2.988 ( -1.235 0.000 3.231) 3.459 3.168 ( -3.725 0.000 -24.674) 24.954 4.546 ( 6.924 0.000 -26.449) 27.340 5.766 ( 0.631 0.000 9.784) 9.804 6.477 ( -1.554 0.000 7.604) 7.761 ======================= Grid point 346 (149/413) ======================= q-point: (-0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -7.844 0.000 1.031) 7.911 1.464 ( -14.698 0.000 0.113) 14.699 1.776 ( 2.249 0.000 8.309) 8.608 1.982 ( -7.229 0.000 -0.957) 7.292 2.205 ( -10.505 0.000 -17.035) 20.014 2.364 ( 9.427 0.000 4.917) 10.633 2.893 ( -8.848 0.000 1.561) 8.984 2.999 ( -7.183 0.000 -14.331) 16.030 3.315 ( 25.963 0.000 -4.225) 26.304 4.609 ( 8.611 0.000 -28.268) 29.550 5.792 ( -1.273 0.000 9.797) 9.880 6.455 ( -2.948 0.000 6.531) 7.166 ======================= Grid point 347 (150/413) ======================= q-point: (-0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -9.009 0.000 2.313) 9.301 1.183 ( -13.489 0.000 2.419) 13.704 1.799 ( -3.086 0.000 0.082) 3.087 1.827 ( -7.321 0.000 -1.115) 7.406 2.003 ( -3.597 0.000 -4.244) 5.563 2.632 ( 13.936 0.000 7.037) 15.612 2.663 ( -14.253 0.000 1.787) 14.365 2.764 ( -12.146 0.000 -9.069) 15.158 3.807 ( 24.383 0.000 -5.540) 25.004 4.682 ( 7.672 0.000 -26.239) 27.338 5.791 ( -1.624 0.000 7.795) 7.962 6.407 ( -3.828 0.000 4.843) 6.173 ======================= Grid point 348 (151/413) ======================= q-point: (-0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -8.347 0.000 7.036) 10.917 0.944 ( -11.773 0.000 5.161) 12.855 1.686 ( -6.225 0.000 -1.813) 6.484 1.688 ( -5.413 0.000 -1.157) 5.535 2.016 ( 1.765 0.000 7.802) 7.999 2.347 ( -18.675 0.000 9.649) 21.020 2.474 ( -12.024 0.000 -11.193) 16.428 2.941 ( 13.628 0.000 8.932) 16.295 4.238 ( 20.389 0.000 -6.395) 21.368 4.722 ( 4.172 0.000 -20.487) 20.908 5.793 ( 0.164 0.000 2.927) 2.931 6.332 ( -5.033 0.000 2.039) 5.430 ======================= Grid point 349 (152/413) ======================= q-point: (-0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -6.230 0.000 12.893) 14.319 0.749 ( -9.817 0.000 7.998) 12.663 1.567 ( -4.853 0.000 -2.573) 5.493 1.569 ( -9.057 0.000 4.740) 10.222 1.957 ( -17.085 0.000 13.282) 21.640 2.106 ( -4.398 0.000 7.735) 8.898 2.342 ( 6.598 0.000 2.533) 7.068 3.220 ( 10.408 0.000 10.305) 14.646 4.568 ( 14.673 0.000 -6.937) 16.231 4.708 ( 0.517 0.000 -13.435) 13.445 5.818 ( 2.252 0.000 -3.627) 4.270 6.201 ( -8.641 0.000 -2.786) 9.079 ======================= Grid point 350 (153/413) ======================= q-point: (-0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( -6.294 0.000 10.767) 12.472 0.626 ( -5.754 0.000 13.281) 14.474 1.354 ( -11.587 0.000 6.961) 13.517 1.477 ( -3.022 0.000 -3.268) 4.451 1.651 ( -16.178 0.000 15.352) 22.303 2.094 ( 0.427 0.000 7.108) 7.120 2.784 ( 31.968 0.000 18.844) 37.109 3.415 ( 5.129 0.000 11.151) 12.274 4.656 ( -1.857 0.000 -8.962) 9.152 4.771 ( 7.860 0.000 -7.298) 10.726 5.834 ( -2.827 0.000 -6.690) 7.262 5.931 ( -13.920 0.000 -9.210) 16.691 ======================= Grid point 351 (154/413) ======================= q-point: ( 0.00 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 1.192 4.428 13.101) 13.880 0.636 ( -4.745 6.660 10.482) 13.295 1.305 ( -0.647 4.388 2.466) 5.075 1.495 ( -0.610 6.670 -0.285) 6.704 1.596 ( -5.602 10.624 15.699) 19.766 2.132 ( 1.504 -0.809 7.903) 8.085 2.990 ( 16.604 -25.722 13.682) 33.534 3.896 ( 11.423 5.878 1.395) 12.922 4.583 ( 0.752 0.989 -6.322) 6.443 4.832 ( 1.246 -0.043 -9.778) 9.858 5.401 ( -23.235 3.477 3.090) 23.696 5.901 ( 2.748 1.370 -8.635) 9.165 ======================= Grid point 352 (155/413) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.358 4.291 11.034) 11.845 0.746 ( 5.484 5.572 13.335) 15.458 1.342 ( 2.914 0.900 0.416) 3.078 1.533 ( 4.701 6.222 -4.242) 8.877 1.653 ( 4.828 10.631 17.804) 21.291 2.194 ( 2.114 -0.333 7.972) 8.255 3.168 ( -1.204 -19.650 9.135) 21.703 4.078 ( 2.729 -4.181 -6.329) 8.062 4.593 ( 2.248 -4.134 -11.510) 12.435 4.840 ( 3.550 8.659 -4.071) 10.205 5.025 ( -13.078 7.986 8.309) 17.431 5.929 ( 2.761 0.659 -5.933) 6.577 ======================= Grid point 353 (156/413) ======================= q-point: ( 0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 7.230 0.096 10.266) 12.557 0.928 ( 8.054 5.049 12.212) 15.476 1.406 ( 3.801 -1.851 -1.927) 4.646 1.620 ( 3.957 2.991 -3.120) 5.860 1.870 ( 10.796 9.973 13.101) 19.689 2.285 ( 4.557 0.233 7.659) 8.916 3.106 ( -5.571 -11.847 3.135) 13.462 3.977 ( -7.103 6.483 -9.458) 13.488 4.431 ( -12.406 -4.808 -8.511) 15.795 4.905 ( -3.299 7.917 5.518) 10.199 5.042 ( 13.585 1.676 -6.775) 15.273 5.984 ( 4.210 -1.504 -0.704) 4.526 ======================= Grid point 354 (157/413) ======================= q-point: ( 0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( 9.700 -1.590 8.889) 13.252 1.148 ( 10.014 3.491 10.225) 14.731 1.483 ( 4.462 -2.770 -2.408) 5.777 1.645 ( -0.121 0.125 -2.237) 2.243 2.152 ( 13.227 8.434 7.657) 17.456 2.428 ( 6.814 -0.716 6.108) 9.179 2.988 ( -6.934 -3.192 1.128) 7.716 3.777 ( -8.425 2.396 -17.599) 19.658 4.137 ( -13.015 3.306 -6.039) 14.724 4.833 ( -4.587 11.723 -2.590) 12.852 5.274 ( 10.782 -3.060 -3.766) 11.824 6.096 ( 6.013 -3.099 4.774) 8.279 ======================= Grid point 355 (158/413) ======================= q-point: ( 0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 8.875 -1.375 8.549) 12.399 1.394 ( 11.158 0.985 6.558) 12.980 1.534 ( -0.380 -3.339 -1.328) 3.613 1.659 ( 4.816 -0.214 -1.886) 5.177 2.430 ( 11.507 6.007 3.685) 13.494 2.565 ( 4.628 -3.302 2.008) 6.030 2.852 ( -6.322 7.385 4.607) 10.758 3.488 ( -13.662 -7.328 -21.065) 26.155 3.904 ( -7.559 13.705 -12.161) 19.820 4.716 ( -4.473 12.068 -8.960) 15.682 5.451 ( 7.633 -2.846 0.676) 8.175 6.241 ( 5.812 -3.074 7.682) 10.112 ======================= Grid point 356 (159/413) ======================= q-point: ( 0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 5.335 -1.687 8.169) 9.901 1.482 ( -2.029 -2.464 -1.133) 3.387 1.614 ( 8.421 -0.584 1.932) 8.659 1.837 ( 12.039 -2.311 0.783) 12.284 2.478 ( -6.174 -1.270 0.439) 6.318 2.720 ( 9.973 9.462 -0.373) 13.752 2.805 ( -2.410 5.143 5.904) 8.193 3.143 ( -11.819 -3.029 -15.221) 19.507 3.702 ( -7.429 15.282 -23.175) 28.737 4.616 ( -1.068 9.063 -14.525) 17.154 5.590 ( 5.313 -1.374 4.811) 7.298 6.366 ( 3.655 -2.409 8.448) 9.515 ======================= Grid point 357 (160/413) ======================= q-point: ( 0.46 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -4.601 -2.911 0.626) 5.481 1.541 ( 4.952 -1.420 6.985) 8.679 1.750 ( 4.189 -1.756 0.394) 4.560 2.057 ( 6.374 -2.929 -0.062) 7.015 2.373 ( -1.335 -3.680 -2.528) 4.660 2.623 ( -10.782 8.031 -1.427) 13.520 2.924 ( 6.924 1.902 1.067) 7.259 3.017 ( 0.676 16.392 -2.149) 16.546 3.444 ( -8.326 11.694 -30.356) 33.579 4.577 ( 3.011 6.107 -20.008) 21.135 5.696 ( 3.033 -0.435 7.615) 8.209 6.439 ( 0.719 -1.996 8.257) 8.525 ======================= Grid point 358 (161/413) ======================= q-point: (-0.46 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -6.314 -2.694 0.301) 6.871 1.652 ( 2.334 -2.447 7.399) 8.135 1.733 ( -5.488 -1.268 0.559) 5.660 2.067 ( -3.783 -0.997 -2.095) 4.438 2.327 ( -0.965 -0.842 -5.277) 5.431 2.559 ( 1.028 9.444 1.970) 9.702 2.965 ( -1.266 2.108 0.550) 2.520 3.085 ( 2.044 17.493 -10.210) 20.358 3.242 ( 2.757 9.995 -19.383) 21.982 4.596 ( 6.513 4.955 -24.281) 25.623 5.760 ( 0.477 -0.539 9.000) 9.029 6.453 ( -1.971 -2.306 7.673) 8.251 ======================= Grid point 359 (162/413) ======================= q-point: (-0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( -7.591 -2.200 1.341) 8.016 1.509 ( -12.384 1.762 1.358) 12.582 1.757 ( 1.897 -1.643 6.299) 6.780 1.928 ( -7.019 -3.965 -2.181) 8.351 2.274 ( -6.578 5.407 -10.017) 13.147 2.608 ( 6.492 17.966 3.310) 19.388 2.895 ( -5.959 3.477 1.645) 7.093 2.967 ( -5.077 -1.035 -17.333) 18.091 3.472 ( 18.354 14.028 -5.075) 23.652 4.666 ( 8.838 5.570 -25.362) 27.430 5.777 ( -1.737 -1.451 9.057) 9.335 6.418 ( -3.862 -3.528 6.750) 8.540 ======================= Grid point 360 (163/413) ======================= q-point: (-0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -8.239 -1.090 3.770) 9.126 1.254 ( -13.304 4.395 2.446) 14.223 1.720 ( -5.983 -4.031 -2.673) 7.693 1.870 ( -0.131 0.199 6.208) 6.212 2.056 ( -8.456 5.960 -10.685) 14.873 2.644 ( -9.269 0.070 -0.141) 9.270 2.765 ( -10.498 0.985 -9.012) 13.870 2.919 ( 10.850 23.360 7.612) 26.858 3.843 ( 19.916 3.744 -8.424) 21.946 4.760 ( 8.277 7.532 -21.918) 24.609 5.763 ( -2.192 -2.746 7.284) 8.087 6.350 ( -5.030 -5.451 5.270) 9.099 ======================= Grid point 361 (164/413) ======================= q-point: (-0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -7.721 0.155 7.807) 10.981 1.004 ( -12.462 4.907 4.078) 14.000 1.588 ( -5.864 -4.030 -2.006) 7.392 1.803 ( -6.033 6.196 -3.433) 9.305 1.989 ( 1.518 -2.203 5.963) 6.535 2.383 ( -16.553 3.344 7.280) 18.390 2.502 ( -11.217 3.318 -11.680) 16.531 3.206 ( 13.087 22.926 9.715) 28.129 4.183 ( 16.992 -4.312 -11.538) 20.987 4.831 ( 4.820 9.609 -14.613) 18.142 5.754 ( -0.128 -3.729 2.937) 4.749 6.253 ( -6.127 -7.360 2.839) 9.988 ======================= Grid point 362 (165/413) ======================= q-point: (-0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -6.505 0.487 10.998) 12.787 0.802 ( -9.273 5.089 8.322) 13.459 1.472 ( -5.458 -3.103 -0.821) 6.331 1.694 ( -5.098 5.561 1.430) 7.678 2.007 ( -10.069 3.226 10.497) 14.899 2.108 ( -7.722 1.316 11.499) 13.914 2.310 ( -0.470 0.669 -7.232) 7.279 3.481 ( 10.622 21.023 9.909) 25.553 4.430 ( 11.543 -8.999 -12.408) 19.188 4.853 ( 1.484 9.377 -8.036) 12.438 5.779 ( 2.193 -3.712 -2.220) 4.849 6.113 ( -8.575 -7.717 -1.135) 11.592 ======================= Grid point 363 (166/413) ======================= q-point: (-0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -4.410 1.957 11.308) 12.294 0.699 ( -5.351 5.708 11.972) 14.302 1.363 ( -4.974 0.955 0.359) 5.078 1.572 ( -6.810 8.042 2.027) 10.731 1.753 ( -14.261 9.057 14.124) 22.020 2.086 ( 0.080 -0.518 6.573) 6.594 2.532 ( 19.191 -14.530 11.364) 26.619 3.696 ( 8.055 17.306 8.028) 20.708 4.558 ( 5.017 -7.085 -8.791) 12.355 4.845 ( 0.761 4.606 -8.163) 9.404 5.772 ( -7.778 -5.821 -1.752) 9.872 5.913 ( -5.357 -0.661 -8.029) 9.675 ======================= Grid point 364 (167/413) ======================= q-point: ( 0.00 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.081 6.096 11.952) 13.417 0.821 ( -1.525 10.510 7.306) 12.891 1.397 ( 1.136 4.344 -2.095) 4.955 1.644 ( -2.569 5.983 -0.661) 6.545 1.860 ( -4.175 14.414 15.517) 21.587 2.131 ( 1.723 1.487 7.304) 7.650 2.617 ( 14.192 -10.363 2.233) 17.714 3.876 ( -0.445 -6.181 -3.529) 7.131 4.529 ( 2.441 -6.816 -2.040) 7.522 4.809 ( 1.267 -2.766 -15.947) 16.234 5.495 ( -11.512 5.639 6.138) 14.213 5.953 ( 2.083 3.726 -3.816) 5.726 ======================= Grid point 365 (168/413) ======================= q-point: ( 0.08 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( -2.462 5.975 10.243) 12.111 0.894 ( 4.781 9.315 11.268) 15.382 1.404 ( 0.302 4.662 -1.971) 5.070 1.630 ( 1.307 2.801 -2.481) 3.963 1.923 ( 4.782 14.395 13.586) 20.363 2.205 ( 3.165 1.988 6.913) 7.858 2.849 ( 7.263 -10.272 -0.367) 12.585 3.928 ( 6.406 -10.245 -5.738) 13.376 4.443 ( -5.849 -10.012 -12.407) 16.982 4.910 ( 10.419 -1.139 -6.197) 12.176 5.270 ( -12.501 13.382 8.701) 20.274 5.965 ( 0.372 3.104 -3.055) 4.371 ======================= Grid point 366 (169/413) ======================= q-point: ( 0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 3.039 2.323 9.536) 10.274 1.053 ( 6.484 7.481 13.226) 16.521 1.411 ( 1.517 2.289 -2.513) 3.723 1.644 ( 0.222 -0.530 -1.938) 2.022 2.112 ( 9.548 12.029 8.410) 17.510 2.307 ( 4.899 2.528 5.433) 7.740 2.927 ( 3.063 -4.947 -7.016) 9.115 3.946 ( -5.371 -8.403 -11.114) 14.932 4.340 ( 1.236 -5.993 -10.192) 11.888 5.100 ( -6.560 11.949 10.169) 17.007 5.105 ( 9.637 2.972 -4.342) 10.980 5.962 ( 0.591 -0.073 -0.872) 1.056 ======================= Grid point 367 (170/413) ======================= q-point: ( 0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 8.208 -1.936 7.655) 11.389 1.235 ( 6.927 5.268 13.408) 15.985 1.449 ( 2.852 -0.354 -2.511) 3.816 1.622 ( -1.413 -2.284 -1.388) 3.024 2.342 ( 10.935 7.881 3.816) 14.008 2.425 ( 4.830 1.441 2.649) 5.694 2.958 ( 3.421 0.955 -9.732) 10.360 3.689 ( -12.976 -8.604 -17.077) 23.109 4.327 ( -1.995 10.506 -4.161) 11.475 5.074 ( -0.763 10.247 6.549) 12.185 5.246 ( 6.804 2.709 -5.950) 9.435 6.013 ( 4.411 -4.725 3.691) 7.444 ======================= Grid point 368 (171/413) ======================= q-point: ( 0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 9.703 -3.641 5.627) 11.793 1.409 ( 5.640 1.115 8.506) 10.267 1.478 ( 0.063 -2.111 0.091) 2.114 1.628 ( 3.944 -2.483 0.370) 4.675 2.482 ( -0.039 -2.756 -1.672) 3.224 2.564 ( 9.724 3.190 2.323) 10.494 3.023 ( 6.663 9.892 -7.149) 13.905 3.360 ( -12.815 -5.452 -18.347) 23.033 4.232 ( -5.373 17.869 -6.374) 19.718 5.022 ( -5.169 16.883 -3.774) 18.056 5.388 ( 8.495 -2.435 -0.125) 8.838 6.149 ( 6.537 -5.935 7.035) 11.289 ======================= Grid point 369 (172/413) ======================= q-point: ( 0.38 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 5.350 -2.722 4.281) 7.373 1.419 ( -0.690 -3.697 -2.064) 4.290 1.571 ( 5.474 -3.057 4.882) 7.946 1.776 ( 8.962 -3.288 4.327) 10.481 2.410 ( -5.558 -5.074 -4.326) 8.680 2.716 ( 2.756 -3.926 5.141) 7.031 3.081 ( -6.342 6.376 -11.107) 14.291 3.194 ( 11.378 14.740 -11.382) 21.824 4.065 ( -8.406 20.018 -12.317) 24.961 4.882 ( -5.332 16.615 -10.059) 20.142 5.558 ( 7.166 -1.462 3.826) 8.254 6.293 ( 4.650 -4.897 8.009) 10.476 ======================= Grid point 370 (173/413) ======================= q-point: ( 0.46 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -4.342 -2.793 -0.595) 5.197 1.499 ( 5.166 -2.943 4.042) 7.189 1.670 ( 2.696 -5.600 0.707) 6.255 1.977 ( 8.241 -4.635 3.537) 10.095 2.265 ( -6.039 -5.912 -4.272) 9.470 2.690 ( -4.726 -4.236 6.858) 9.345 3.027 ( 3.190 8.229 -9.984) 13.325 3.422 ( 13.159 22.328 -7.158) 26.888 3.807 ( -11.917 22.453 -16.869) 30.508 4.770 ( -1.180 13.061 -14.526) 19.570 5.687 ( 3.879 -0.260 5.649) 6.858 6.378 ( 0.942 -4.117 8.042) 9.083 ======================= Grid point 371 (174/413) ======================= q-point: (-0.46 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -5.751 -2.465 0.087) 6.257 1.594 ( 1.162 -3.157 5.415) 6.375 1.668 ( -1.542 -4.943 -0.341) 5.189 1.997 ( -6.225 -4.562 -2.879) 8.237 2.263 ( 5.900 -5.386 1.137) 8.069 2.667 ( 0.059 -2.820 7.622) 8.127 3.057 ( 1.957 8.437 -8.861) 12.391 3.484 ( -9.324 23.345 -23.466) 34.389 3.663 ( 9.225 26.781 -0.235) 28.326 4.745 ( 4.471 9.812 -17.869) 20.870 5.747 ( 0.051 -0.573 6.457) 6.483 6.384 ( -2.970 -4.503 7.768) 9.457 ======================= Grid point 372 (175/413) ======================= q-point: (-0.38 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -6.837 -1.807 2.003) 7.350 1.498 ( -9.168 -2.178 3.253) 9.969 1.704 ( 1.380 -3.968 2.825) 5.062 1.850 ( -5.744 -3.666 -1.341) 6.944 2.341 ( -0.278 -0.181 -1.117) 1.166 2.696 ( -0.864 -4.349 4.521) 6.333 2.980 ( -5.533 5.066 -18.994) 20.422 3.342 ( 3.002 30.943 -5.291) 31.535 3.831 ( 8.171 20.552 -5.431) 22.774 4.825 ( 9.257 9.863 -17.248) 21.919 5.737 ( -3.133 -2.428 6.472) 7.589 6.318 ( -6.090 -6.276 7.277) 11.376 ======================= Grid point 373 (176/413) ======================= q-point: (-0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -7.392 -1.127 4.845) 8.910 1.306 ( -11.000 0.903 4.839) 12.051 1.640 ( -5.933 -4.162 -2.200) 7.574 1.842 ( 2.433 -2.505 5.453) 6.475 2.218 ( -9.239 8.596 -8.789) 15.378 2.634 ( -6.102 -1.218 0.883) 6.285 2.789 ( -6.693 2.322 -15.311) 16.871 3.499 ( 10.373 30.559 5.139) 32.678 3.967 ( 8.824 8.912 -12.019) 17.371 4.968 ( 9.178 12.453 -12.683) 20.004 5.681 ( -3.868 -5.279 5.312) 8.429 6.200 ( -7.760 -8.940 6.365) 13.441 ======================= Grid point 374 (177/413) ======================= q-point: (-0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -6.876 -0.299 7.995) 10.550 1.105 ( -10.488 4.808 5.992) 13.000 1.520 ( -4.915 -2.950 -2.272) 6.166 1.920 ( 2.630 -1.039 6.791) 7.356 1.982 ( -9.047 8.421 -11.099) 16.612 2.464 ( -11.511 4.117 4.126) 12.903 2.599 ( -7.610 5.522 -12.530) 15.665 3.731 ( 9.553 25.898 7.205) 28.529 4.108 ( 9.948 -1.870 -15.395) 18.425 5.062 ( 2.846 12.368 -7.635) 14.811 5.647 ( -0.299 -6.625 2.810) 7.203 6.063 ( -7.456 -10.630 4.512) 13.746 ======================= Grid point 375 (178/413) ======================= q-point: (-0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -4.687 1.610 9.685) 10.879 0.943 ( -7.705 8.397 7.484) 13.634 1.434 ( -2.855 -1.006 -2.320) 3.814 1.801 ( -5.195 6.094 -4.985) 9.433 2.004 ( 2.136 -1.921 8.106) 8.600 2.227 ( -13.588 8.676 9.921) 18.930 2.414 ( -5.318 8.194 -13.073) 16.320 3.896 ( 4.080 16.444 5.004) 17.666 4.257 ( 9.759 -6.783 -12.731) 17.417 5.026 ( -3.297 6.814 -7.064) 10.354 5.679 ( 1.279 -5.482 2.824) 6.298 5.949 ( -4.241 -7.157 0.496) 8.334 ======================= Grid point 376 (179/413) ======================= q-point: (-0.08 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( -1.205 5.018 9.909) 11.172 0.854 ( -4.179 9.491 8.714) 13.545 1.392 ( -0.355 1.764 -2.595) 3.157 1.716 ( -3.820 4.859 0.894) 6.245 1.969 ( -10.036 10.698 13.090) 19.660 2.096 ( -1.324 2.335 8.356) 8.776 2.380 ( 7.147 0.343 -5.901) 9.274 3.922 ( -1.903 3.539 0.793) 4.096 4.410 ( 8.631 -6.925 -6.210) 12.689 4.911 ( -4.339 1.112 -11.904) 12.718 5.656 ( -5.850 -4.140 5.316) 8.923 5.920 ( 1.771 1.416 -3.842) 4.461 ======================= Grid point 377 (180/413) ======================= q-point: ( 0.00 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 0.016 8.726 6.960) 11.162 1.045 ( 0.258 11.558 5.104) 12.637 1.470 ( 3.220 2.502 -2.672) 4.876 1.717 ( -3.698 2.656 -2.169) 5.043 2.097 ( -0.455 6.416 9.976) 11.870 2.235 ( 0.312 10.129 8.392) 13.157 2.551 ( 10.082 2.000 -9.218) 13.806 3.690 ( -4.011 -11.616 -6.734) 14.013 4.323 ( -0.759 -12.832 -0.594) 12.868 4.711 ( 1.543 -6.855 -22.373) 23.451 5.625 ( -4.529 7.142 8.712) 12.142 6.039 ( 1.855 4.392 1.349) 4.955 ======================= Grid point 378 (181/413) ======================= q-point: ( 0.08 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( -3.797 6.894 8.305) 11.442 1.118 ( 4.004 12.473 6.931) 14.820 1.509 ( 0.795 5.105 -1.996) 5.539 1.643 ( -2.337 -0.576 -2.361) 3.372 2.158 ( 3.421 6.987 8.231) 11.326 2.307 ( 3.962 8.864 5.704) 11.261 2.757 ( 11.518 0.136 -9.455) 14.902 3.681 ( 5.384 -13.716 -6.552) 16.126 4.203 ( -6.582 -13.397 -11.088) 18.594 4.821 ( 13.349 -7.274 -11.437) 19.024 5.522 ( -8.507 11.542 9.357) 17.121 6.049 ( -1.268 4.723 0.888) 4.971 ======================= Grid point 379 (182/413) ======================= q-point: ( 0.15 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -1.364 4.071 8.946) 9.923 1.234 ( 4.349 10.301 10.791) 15.539 1.491 ( -0.878 5.460 -2.766) 6.183 1.606 ( -1.470 -2.925 -1.438) 3.575 2.275 ( 5.736 3.808 3.543) 7.743 2.417 ( 4.992 7.458 2.968) 9.453 2.910 ( 8.307 2.698 -13.549) 16.120 3.714 ( -4.339 -13.356 -10.676) 17.641 4.165 ( 10.545 -10.478 -10.145) 17.997 5.093 ( 15.330 -4.645 -4.636) 16.675 5.376 ( -8.587 14.348 10.208) 19.591 6.000 ( -3.556 3.778 0.663) 5.231 ======================= Grid point 380 (183/413) ======================= q-point: ( 0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( 3.842 -0.574 7.930) 8.830 1.360 ( 3.829 6.584 13.257) 15.289 1.475 ( 0.144 3.176 -3.274) 4.564 1.561 ( -2.180 -3.332 -0.425) 4.004 2.390 ( 4.346 -0.744 -1.049) 4.532 2.510 ( 3.644 3.756 1.280) 5.387 3.040 ( 10.360 6.765 -14.184) 18.823 3.496 ( -9.864 -9.854 -16.537) 21.631 4.422 ( 12.954 -1.328 -4.202) 13.683 5.276 ( -2.701 11.742 9.396) 15.279 5.358 ( 9.719 4.311 -3.992) 11.357 5.940 ( -1.606 -1.202 2.427) 3.148 ======================= Grid point 381 (184/413) ======================= q-point: ( 0.31 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 7.998 -4.788 5.331) 10.738 1.435 ( -3.086 -1.362 -3.064) 4.557 1.465 ( 2.027 3.263 10.184) 10.884 1.574 ( 3.846 -2.214 3.592) 5.709 2.397 ( -2.451 -5.477 -5.067) 7.854 2.588 ( 2.563 -0.930 4.341) 5.126 3.231 ( 9.860 6.684 -22.611) 25.557 3.276 ( -1.709 0.478 -7.596) 7.801 4.557 ( 1.138 12.348 -2.672) 12.685 5.322 ( 2.337 9.982 7.412) 12.651 5.430 ( 1.475 9.606 -8.060) 12.626 6.006 ( 6.339 -7.945 6.235) 11.924 ======================= Grid point 382 (185/413) ======================= q-point: ( 0.38 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 8.363 -6.300 2.107) 10.680 1.352 ( -3.359 -2.575 -2.394) 4.862 1.527 ( 1.659 -0.932 5.642) 5.954 1.709 ( 6.899 -3.160 7.479) 10.655 2.286 ( -6.325 -7.004 -4.911) 10.638 2.599 ( -3.755 -7.571 7.562) 11.340 3.158 ( 2.560 4.207 -18.733) 19.369 3.524 ( 16.545 14.223 -8.401) 23.380 4.476 ( -6.962 19.455 -4.524) 21.152 5.245 ( -7.102 18.154 -5.378) 20.222 5.550 ( 8.455 1.284 1.431) 8.671 6.168 ( 6.141 -7.385 7.237) 12.026 ======================= Grid point 383 (186/413) ======================= q-point: ( 0.46 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -4.175 -2.269 -0.885) 4.833 1.408 ( 7.111 -6.118 -0.301) 9.386 1.568 ( 0.541 -3.549 3.341) 4.904 1.878 ( 6.575 -4.972 6.768) 10.666 2.134 ( -6.623 -7.154 -2.407) 10.042 2.531 ( -4.393 -10.275 8.779) 14.211 3.202 ( 6.296 9.188 -13.998) 17.889 3.828 ( 15.887 16.453 -9.442) 24.744 4.279 ( -9.899 22.747 -5.824) 25.482 5.085 ( -5.818 17.050 -8.020) 19.720 5.695 ( 4.830 1.404 2.086) 5.445 6.273 ( 1.478 -6.200 7.428) 9.787 ======================= Grid point 384 (187/413) ======================= q-point: (-0.46 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -5.455 -1.962 0.751) 5.846 1.525 ( 3.295 -4.189 2.057) 5.712 1.555 ( -1.875 -5.105 0.094) 5.440 1.903 ( -5.753 -4.637 -1.351) 7.512 2.120 ( 5.284 -8.536 6.393) 11.902 2.518 ( 0.303 -10.154 7.480) 12.615 3.265 ( 2.922 11.883 -11.645) 16.892 3.962 ( -1.122 21.568 -20.030) 29.456 4.182 ( 4.834 22.905 3.942) 23.739 4.984 ( -0.401 13.348 -8.979) 16.092 5.746 ( -0.464 0.790 1.771) 1.994 6.274 ( -3.932 -6.277 7.575) 10.594 ======================= Grid point 385 (188/413) ======================= q-point: (-0.38 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -6.578 -1.688 3.065) 7.451 1.450 ( -7.004 -2.072 4.303) 8.478 1.599 ( 1.176 -6.012 -0.699) 6.166 1.781 ( -4.012 -3.110 -0.258) 5.083 2.257 ( 4.930 -7.413 5.447) 10.437 2.567 ( 1.781 -7.977 3.379) 8.844 3.175 ( -7.297 13.704 -16.847) 22.910 3.907 ( 3.844 23.053 -10.948) 25.808 4.273 ( 1.495 22.185 -2.110) 22.336 5.038 ( 8.315 10.137 -5.972) 14.407 5.691 ( -5.359 -1.601 0.908) 5.666 6.174 ( -8.375 -7.591 7.757) 13.709 ======================= Grid point 386 (189/413) ======================= q-point: (-0.31 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -6.790 -1.022 5.716) 8.934 1.318 ( -7.607 0.829 6.195) 9.845 1.549 ( -4.197 -4.752 -2.437) 6.792 1.785 ( 2.755 -2.685 2.901) 4.818 2.318 ( -1.083 -0.373 2.057) 2.354 2.588 ( -0.611 -3.569 0.304) 3.634 2.920 ( -9.578 11.946 -20.702) 25.749 3.993 ( 5.718 15.515 -8.941) 18.798 4.260 ( -0.157 20.919 -2.407) 21.057 5.228 ( 10.242 11.867 -2.588) 15.888 5.554 ( -7.575 -6.863 -0.101) 10.222 6.010 ( -10.100 -9.206 7.766) 15.719 ======================= Grid point 387 (190/413) ======================= q-point: (-0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -4.939 0.848 7.738) 9.219 1.200 ( -6.277 4.738 7.557) 10.907 1.464 ( -2.861 -2.539 -2.981) 4.850 1.866 ( 3.540 -2.617 4.161) 6.057 2.208 ( -8.471 10.720 -6.069) 14.950 2.530 ( -5.639 2.103 1.082) 6.115 2.711 ( -4.664 6.213 -16.204) 17.970 4.017 ( 1.237 2.375 -14.443) 14.689 4.283 ( 1.171 18.019 3.039) 18.310 5.274 ( -6.299 5.378 -6.964) 10.821 5.516 ( 4.828 -3.769 4.617) 7.671 5.860 ( -5.990 -8.382 6.493) 12.177 ======================= Grid point 388 (191/413) ======================= q-point: (-0.15 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -1.052 3.851 7.992) 8.934 1.121 ( -4.395 8.867 7.725) 12.555 1.421 ( -0.388 -0.482 -3.413) 3.469 1.917 ( -2.226 1.526 -2.070) 3.401 2.030 ( -2.952 8.759 -2.038) 9.465 2.392 ( -8.310 6.853 4.974) 11.864 2.583 ( -3.855 7.498 -12.677) 15.224 3.969 ( -2.005 -6.454 -10.733) 12.684 4.282 ( -1.303 6.135 -0.345) 6.281 5.079 ( -8.649 -2.558 -11.565) 14.666 5.606 ( 0.899 -0.509 9.083) 9.142 5.861 ( 3.952 -1.236 2.705) 4.946 ======================= Grid point 389 (192/413) ======================= q-point: (-0.08 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 2.479 6.992 7.045) 10.231 1.068 ( -3.398 11.293 6.155) 13.303 1.425 ( 1.977 1.198 -3.562) 4.246 1.802 ( -4.219 4.948 -4.895) 8.139 2.067 ( 1.457 1.998 7.233) 7.644 2.262 ( -6.254 10.960 9.301) 15.676 2.487 ( -0.037 7.619 -12.262) 14.436 3.842 ( -7.433 -10.001 -5.554) 13.642 4.283 ( 2.674 -6.199 -3.363) 7.542 4.864 ( -7.351 -5.861 -17.680) 20.025 5.642 ( -0.592 2.766 9.251) 9.674 5.967 ( 4.682 2.994 1.677) 5.805 ======================= Grid point 390 (193/413) ======================= q-point: ( 0.00 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( 0.517 8.789 4.555) 9.912 1.286 ( 1.676 12.241 3.401) 12.815 1.489 ( 3.499 -0.290 -2.872) 4.536 1.805 ( -4.818 6.374 -4.789) 9.315 2.183 ( 1.968 3.846 2.802) 5.149 2.450 ( 0.245 9.096 6.716) 11.309 2.606 ( 5.953 1.483 -8.574) 10.542 3.424 ( -3.402 -14.458 -8.979) 17.356 4.056 ( -4.369 -11.994 -3.404) 13.211 4.542 ( 2.196 -9.586 -26.718) 28.471 5.776 ( -1.756 7.510 9.867) 12.524 6.116 ( 1.862 2.947 5.186) 6.249 ======================= Grid point 391 (194/413) ======================= q-point: ( 0.08 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -5.259 8.089 4.530) 10.658 1.381 ( 3.712 13.056 5.820) 14.769 1.545 ( 2.380 -1.846 -1.565) 3.394 1.697 ( -4.157 6.905 -3.860) 8.936 2.244 ( 3.290 2.924 1.676) 4.710 2.488 ( 1.558 6.879 4.337) 8.280 2.788 ( 13.173 1.059 -9.639) 16.358 3.399 ( 4.289 -13.595 -9.779) 17.288 3.932 ( -4.241 -11.978 -9.800) 16.047 4.633 ( 13.780 -10.986 -17.244) 24.656 5.739 ( -5.073 9.985 9.804) 14.885 6.137 ( -1.423 3.574 4.184) 5.684 ======================= Grid point 392 (195/413) ======================= q-point: ( 0.15 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -4.103 6.072 6.434) 9.752 1.441 ( 0.495 8.089 5.281) 9.672 1.546 ( -1.752 -1.214 0.061) 2.132 1.635 ( -1.434 8.952 -0.335) 9.073 2.315 ( 3.342 0.464 -1.697) 3.777 2.527 ( 0.969 2.667 1.771) 3.345 2.993 ( 11.421 4.109 -13.897) 18.451 3.436 ( -1.044 -13.503 -11.280) 17.626 3.968 ( 14.663 -7.483 -9.464) 18.988 4.928 ( 18.956 -11.090 -7.992) 23.371 5.654 ( -6.363 12.807 9.714) 17.288 6.090 ( -4.470 4.339 3.103) 6.959 ======================= Grid point 393 (196/413) ======================= q-point: ( 0.23 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -0.665 2.955 7.295) 7.899 1.435 ( -1.774 -1.640 -0.387) 2.446 1.527 ( -0.197 3.228 2.545) 4.115 1.604 ( -2.768 8.794 6.046) 11.025 2.338 ( -0.528 -4.549 -4.833) 6.658 2.543 ( -0.074 -0.390 3.054) 3.080 3.186 ( 13.176 6.359 -13.822) 20.126 3.310 ( -4.180 -8.075 -16.341) 18.700 4.353 ( 21.975 -3.192 -4.336) 22.625 5.296 ( 18.706 -7.939 -3.466) 20.614 5.569 ( -4.726 14.057 8.650) 17.168 5.985 ( -6.711 4.552 2.396) 8.456 ======================= Grid point 394 (197/413) ======================= q-point: ( 0.31 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 3.862 -1.291 6.398) 7.584 1.380 ( -3.185 -3.744 -2.010) 5.311 1.533 ( 0.555 2.233 -3.647) 4.312 1.595 ( -1.008 5.312 15.312) 16.238 2.264 ( -4.652 -7.609 -5.279) 10.364 2.523 ( -4.413 -5.691 6.802) 9.906 3.218 ( 2.416 -0.015 -20.175) 20.319 3.438 ( 15.603 7.312 -8.260) 19.109 4.709 ( 12.719 4.163 -2.285) 13.576 5.519 ( 1.733 10.132 3.696) 10.924 5.628 ( 8.951 4.655 -2.436) 10.379 5.871 ( -2.923 -2.249 4.729) 5.997 ======================= Grid point 395 (198/413) ======================= q-point: ( 0.38 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 6.993 -4.878 3.818) 9.342 1.301 ( -3.803 -2.783 -1.449) 4.931 1.532 ( -0.071 1.220 0.746) 1.432 1.665 ( 3.107 -0.695 11.454) 11.889 2.131 ( -6.774 -8.250 -3.853) 11.349 2.416 ( -8.101 -10.272 8.981) 15.868 3.267 ( 8.232 6.654 -16.424) 19.539 3.747 ( 17.265 7.695 -5.598) 19.714 4.805 ( -1.863 12.834 -1.528) 13.058 5.571 ( -5.301 12.672 0.440) 13.743 5.634 ( 4.983 7.596 -3.840) 9.863 5.998 ( 8.319 -9.180 5.931) 13.735 ======================= Grid point 396 (199/413) ======================= q-point: ( 0.46 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -2.338 -2.827 0.480) 3.700 1.281 ( 5.840 -5.572 0.148) 8.074 1.530 ( -1.018 -0.524 2.879) 3.098 1.784 ( 4.645 -4.097 9.058) 10.973 1.978 ( -7.101 -8.140 -1.992) 10.985 2.302 ( -5.542 -11.897 9.974) 16.485 3.404 ( 9.443 10.859 -11.022) 18.127 4.075 ( 16.771 8.046 -5.232) 19.322 4.680 ( -8.473 16.645 -1.944) 18.779 5.406 ( -8.255 13.382 -2.977) 16.002 5.755 ( 5.161 4.531 -2.464) 7.296 6.135 ( 2.708 -7.101 5.883) 9.611 ======================= Grid point 397 (200/413) ======================= q-point: (-0.46 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -5.310 -1.398 2.334) 5.966 1.409 ( 5.691 -6.104 -2.075) 8.600 1.500 ( -3.263 -1.181 3.597) 4.998 1.813 ( -5.298 -4.333 -1.009) 6.918 1.935 ( 4.056 -9.178 9.873) 14.077 2.292 ( 1.522 -11.725 7.429) 13.964 3.532 ( 5.140 14.310 -7.181) 16.815 4.317 ( 6.909 13.214 -16.086) 21.934 4.547 ( -0.957 13.270 6.962) 15.016 5.245 ( -6.258 11.009 -2.681) 12.945 5.791 ( -0.674 3.726 -3.895) 5.432 6.142 ( -4.027 -6.334 6.493) 9.924 ======================= Grid point 398 (201/413) ======================= q-point: (-0.38 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -5.977 -0.248 4.558) 7.521 1.427 ( -4.811 -0.114 4.398) 6.520 1.477 ( 1.299 -5.755 -2.030) 6.239 1.725 ( -1.915 -2.380 -0.514) 3.098 2.076 ( 6.095 -9.757 9.190) 14.724 2.384 ( 4.937 -9.810 3.190) 11.437 3.502 ( -5.967 18.001 -10.162) 21.516 4.282 ( 0.094 15.224 -13.892) 20.609 4.651 ( 3.355 13.128 2.878) 13.853 5.181 ( 1.197 2.907 2.165) 3.817 5.702 ( -6.204 3.215 -5.903) 9.147 6.030 ( -9.033 -6.063 7.349) 13.128 ======================= Grid point 399 (202/413) ======================= q-point: (-0.31 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -4.871 2.012 6.130) 8.084 1.349 ( -4.425 2.393 6.359) 8.108 1.456 ( -1.673 -4.265 -3.194) 5.585 1.745 ( 3.172 -1.119 0.986) 3.505 2.222 ( 5.302 -7.713 6.589) 11.446 2.484 ( 4.007 -6.653 0.546) 7.786 3.251 ( -12.952 19.545 -16.843) 28.869 4.229 ( -2.660 10.031 -11.899) 15.788 4.653 ( -2.582 14.926 0.648) 15.161 5.267 ( 2.176 -10.468 3.322) 11.196 5.549 ( -4.036 8.200 -4.854) 10.348 5.860 ( -9.606 -4.918 8.004) 13.436 ======================= Grid point 400 (203/413) ======================= q-point: (-0.23 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -1.956 4.725 6.194) 8.032 1.302 ( -2.530 5.497 7.385) 9.547 1.416 ( -0.760 -2.313 -3.797) 4.511 1.832 ( 4.507 -0.454 2.202) 5.037 2.313 ( 1.349 -1.134 3.984) 4.356 2.536 ( 0.541 -2.033 -0.076) 2.105 2.922 ( -12.030 15.640 -20.673) 28.578 4.071 ( -8.610 3.769 -11.449) 14.813 4.548 ( -8.756 6.509 -0.037) 10.910 5.164 ( -8.353 -12.087 -10.016) 17.782 5.591 ( 3.285 6.846 7.498) 10.671 5.765 ( -0.247 -0.485 7.408) 7.428 ======================= Grid point 401 (204/413) ======================= q-point: (-0.15 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 1.640 6.442 5.495) 8.625 1.297 ( -0.812 8.667 7.115) 11.243 1.406 ( 1.156 -1.101 -4.056) 4.359 1.922 ( 3.009 0.719 2.524) 3.992 2.275 ( -5.699 11.699 -3.339) 13.435 2.487 ( -4.290 2.788 0.645) 5.157 2.700 ( -3.403 4.792 -14.782) 15.908 3.828 ( -11.896 -6.301 -6.670) 15.024 4.331 ( -10.061 -1.239 -6.137) 11.850 4.936 ( -9.515 -10.396 -15.991) 21.315 5.663 ( 1.993 5.228 10.623) 12.007 5.883 ( 6.796 2.557 6.451) 9.713 ======================= Grid point 402 (205/413) ======================= q-point: (-0.08 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 5.003 7.383 5.357) 10.404 1.297 ( -1.743 11.115 4.586) 12.149 1.434 ( 2.900 -0.167 -3.742) 4.737 1.919 ( -4.110 5.785 -3.150) 7.764 2.161 ( -1.281 8.442 -2.324) 8.849 2.437 ( -1.525 5.631 4.985) 7.674 2.614 ( -1.866 3.879 -9.209) 10.166 3.583 ( -9.774 -14.481 -4.885) 18.141 4.154 ( -4.984 -6.021 -7.238) 10.653 4.694 ( -7.152 -10.258 -22.751) 25.961 5.741 ( 1.520 6.211 10.351) 12.167 6.027 ( 5.006 2.632 5.983) 8.234 ======================= Grid point 403 (206/413) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 1.941 6.292 4.147) 7.782 1.444 ( 3.558 -0.976 -2.318) 4.358 1.574 ( 1.220 13.377 1.596) 13.527 1.962 ( -4.539 8.482 -2.713) 9.995 2.263 ( -0.214 3.397 -4.397) 5.561 2.548 ( -2.830 -3.547 1.421) 4.755 2.595 ( 6.724 1.741 -1.168) 7.044 3.110 ( -1.507 -16.141 -6.327) 17.402 3.905 ( -5.198 -2.085 -13.229) 14.365 4.335 ( 2.098 -10.574 -28.604) 30.568 5.922 ( -0.383 6.796 10.254) 12.307 6.150 ( 1.709 0.253 7.703) 7.895 ======================= Grid point 404 (207/413) ======================= q-point: ( 0.08 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -5.463 7.768 1.492) 9.613 1.485 ( -0.075 -3.258 -2.821) 4.310 1.639 ( 2.843 12.272 5.587) 13.780 1.882 ( -1.934 10.974 -1.719) 11.275 2.278 ( 1.552 -0.458 -2.829) 3.259 2.521 ( -0.946 -4.590 3.368) 5.771 2.783 ( 13.132 -0.036 -5.687) 14.310 3.135 ( 5.572 -12.830 -10.732) 17.631 3.797 ( 0.616 -0.087 -14.173) 14.186 4.391 ( 12.331 -12.638 -21.270) 27.644 5.924 ( -2.742 8.267 9.760) 13.081 6.181 ( -1.083 0.606 6.514) 6.632 ======================= Grid point 405 (208/413) ======================= q-point: ( 0.15 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -5.138 7.331 2.568) 9.313 1.434 ( -3.077 -4.076 -3.854) 6.398 1.671 ( -1.269 9.198 4.857) 10.479 1.858 ( -1.907 12.584 4.001) 13.341 2.275 ( -1.087 -5.076 -3.866) 6.472 2.516 ( -1.136 -3.748 3.803) 5.459 3.031 ( 13.480 -0.346 -10.919) 17.351 3.194 ( 3.274 -9.983 -14.397) 17.822 3.925 ( 17.818 3.839 -11.070) 21.325 4.668 ( 20.091 -14.149 -11.339) 27.063 5.885 ( -4.198 9.946 9.016) 14.066 6.152 ( -3.768 1.487 5.161) 6.561 ======================= Grid point 406 (209/413) ======================= q-point: ( 0.23 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -3.049 5.949 4.463) 8.037 1.358 ( -2.968 -4.697 -3.113) 6.368 1.642 ( -2.337 7.264 1.823) 7.846 1.811 ( -4.884 11.158 8.291) 14.734 2.208 ( -3.989 -8.019 -3.981) 9.801 2.480 ( -4.720 -6.193 5.808) 9.714 3.193 ( 3.752 -3.051 -17.132) 17.802 3.260 ( 13.850 0.681 -11.330) 17.907 4.358 ( 25.359 4.513 -6.212) 26.496 5.073 ( 22.007 -13.107 -4.828) 26.066 5.826 ( -4.357 10.933 7.523) 13.968 6.068 ( -6.027 2.847 3.640) 7.594 ======================= Grid point 407 (210/413) ======================= q-point: ( 0.31 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 0.071 3.417 5.657) 6.609 1.295 ( -2.704 -4.609 -1.459) 5.539 1.601 ( -1.499 4.904 -2.190) 5.576 1.737 ( -5.483 8.143 12.182) 15.645 2.096 ( -5.807 -8.820 -3.417) 11.099 2.362 ( -9.126 -9.860 8.110) 15.693 3.260 ( 8.803 4.000 -16.087) 18.769 3.522 ( 15.398 0.680 -6.486) 16.723 4.802 ( 18.755 6.320 -3.516) 20.101 5.474 ( 17.912 -11.048 -1.300) 21.085 5.779 ( -1.718 9.973 4.983) 11.280 5.942 ( -7.264 4.853 1.623) 8.886 ======================= Grid point 408 (211/413) ======================= q-point: ( 0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( 3.400 -0.200 5.377) 6.365 1.236 ( -2.948 -3.621 0.308) 4.679 1.571 ( -0.766 2.704 -3.141) 4.215 1.695 ( -2.696 3.672 13.513) 14.260 1.958 ( -6.716 -8.719 -3.030) 11.416 2.197 ( -9.834 -11.126 10.300) 18.072 3.423 ( 11.767 8.601 -11.231) 18.400 3.827 ( 16.305 0.104 -2.044) 16.433 5.026 ( 3.740 10.168 -1.388) 10.923 5.690 ( 0.369 -3.940 1.830) 4.359 5.811 ( -1.277 6.629 -0.360) 6.760 5.867 ( 8.228 1.563 -0.177) 8.377 ======================= Grid point 409 (212/413) ======================= q-point: ( 0.46 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.557 -2.441 3.504) 4.545 1.194 ( 0.650 -3.307 2.039) 3.939 1.541 ( -1.897 1.474 0.744) 2.514 1.724 ( 0.717 -1.665 11.144) 11.291 1.819 ( -5.702 -7.139 -2.686) 9.523 2.067 ( -5.953 -10.936 11.032) 16.636 3.636 ( 11.862 11.852 -5.611) 17.682 4.150 ( 16.023 -0.567 0.534) 16.042 4.971 ( -7.178 12.956 -1.615) 14.899 5.565 ( -9.319 1.006 1.169) 9.446 5.866 ( 4.321 5.898 -5.098) 8.913 6.020 ( 4.446 -3.129 2.163) 5.851 ======================= Grid point 410 (213/413) ======================= q-point: (-0.46 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -3.985 0.117 4.313) 5.873 1.293 ( 5.458 -5.422 0.045) 7.694 1.498 ( -3.119 0.855 3.350) 4.656 1.707 ( -3.291 -6.467 -0.656) 7.286 1.798 ( 1.623 -3.316 10.952) 11.557 2.063 ( 2.331 -10.565 7.523) 13.177 3.831 ( 7.791 14.925 -1.563) 16.909 4.457 ( 14.114 0.040 -1.835) 14.233 4.784 ( -9.609 11.943 -0.527) 15.338 5.369 ( -10.263 0.232 -0.483) 10.277 5.886 ( -0.774 5.170 -5.999) 7.958 6.045 ( -2.703 -2.686 3.371) 5.088 ======================= Grid point 411 (214/413) ======================= q-point: (-0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -3.441 3.228 5.393) 7.165 1.368 ( 2.084 -5.116 -1.750) 5.795 1.445 ( -3.203 1.766 4.955) 6.159 1.678 ( 1.186 -2.884 -1.863) 3.632 1.899 ( 4.611 -6.306 12.376) 14.636 2.181 ( 6.614 -10.018 3.714) 12.565 3.882 ( -3.223 19.180 -3.403) 19.744 4.555 ( -3.361 12.251 -13.018) 18.189 4.755 ( 6.939 -2.652 8.865) 11.566 5.155 ( -10.745 -4.902 -1.063) 11.858 5.802 ( -4.891 5.618 -5.101) 9.028 5.952 ( -7.280 -1.587 4.308) 8.606 ======================= Grid point 412 (215/413) ======================= q-point: (-0.31 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -1.754 6.417 4.896) 8.260 1.374 ( -0.401 -3.896 -1.338) 4.139 1.416 ( -1.290 3.961 4.870) 6.409 1.737 ( 4.835 -0.474 -1.875) 5.208 2.056 ( 6.643 -7.258 10.114) 14.110 2.327 ( 6.599 -8.667 1.867) 11.052 3.674 ( -13.907 21.836 -10.458) 27.921 4.421 ( -7.692 8.897 -6.271) 13.328 4.822 ( -7.378 1.878 -1.671) 7.795 4.974 ( -2.873 -16.858 -3.276) 17.412 5.710 ( -2.274 6.591 1.120) 7.062 5.821 ( -6.096 0.566 5.308) 8.103 ======================= Grid point 413 (216/413) ======================= q-point: (-0.23 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.008 7.951 3.522) 8.696 1.361 ( -0.064 -3.066 -1.876) 3.594 1.430 ( 1.044 7.050 4.980) 8.694 1.842 ( 5.885 0.590 -1.256) 6.046 2.220 ( 6.504 -5.851 7.596) 11.586 2.448 ( 4.706 -6.272 1.233) 7.938 3.301 ( -18.091 20.576 -15.330) 31.396 4.151 ( -18.504 2.720 -1.272) 18.746 4.553 ( -12.814 -4.239 -11.000) 17.411 4.900 ( -5.019 -12.800 -11.836) 18.142 5.714 ( 0.326 5.489 8.781) 10.360 5.807 ( 2.911 2.942 7.102) 8.220 ======================= Grid point 414 (217/413) ======================= q-point: (-0.15 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 2.116 7.753 3.106) 8.616 1.364 ( 1.186 -2.719 -2.162) 3.671 1.486 ( 2.682 9.875 3.743) 10.896 1.950 ( 4.747 1.216 -0.049) 4.900 2.363 ( 5.409 -2.225 5.480) 8.015 2.512 ( 0.660 -1.903 0.970) 2.236 2.879 ( -17.048 14.462 -17.092) 28.141 3.706 ( -23.861 -6.816 1.113) 24.841 4.287 ( -8.971 -1.398 -16.340) 18.694 4.701 ( -8.317 -12.068 -19.427) 24.336 5.782 ( 2.611 5.927 10.623) 12.441 5.931 ( 5.476 1.628 8.819) 10.508 ======================= Grid point 415 (218/413) ======================= q-point: (-0.08 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 5.084 6.755 4.103) 9.397 1.394 ( 2.411 -2.032 -2.047) 3.759 1.546 ( 1.932 12.059 1.609) 12.318 2.014 ( 0.786 3.440 0.824) 3.624 2.393 ( -9.781 12.010 -7.750) 17.320 2.482 ( 4.340 -0.299 3.350) 5.491 2.622 ( -3.775 -2.366 -6.263) 7.686 3.290 ( -15.714 -13.941 -1.118) 21.037 4.075 ( -6.843 -1.062 -15.400) 16.885 4.474 ( -5.524 -11.003 -26.294) 29.034 5.869 ( 1.923 6.109 10.671) 12.446 6.061 ( 4.193 0.545 8.624) 9.605 ======================= Grid point 416 (219/413) ======================= q-point: ( 0.00 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 2.725 4.315 2.313) 5.603 1.396 ( 2.907 -3.090 -0.395) 4.260 1.878 ( 2.356 15.414 -0.505) 15.601 2.088 ( 1.900 -0.227 0.541) 1.988 2.279 ( -7.363 0.441 -5.863) 9.423 2.400 ( -5.927 -8.571 0.224) 10.423 2.663 ( 5.080 5.289 -1.315) 7.450 2.825 ( -0.147 -10.973 -2.411) 11.236 3.958 ( -2.259 6.337 -22.651) 23.629 4.127 ( 0.620 -9.785 -27.490) 29.186 6.044 ( 0.577 5.170 10.077) 11.340 6.125 ( 1.281 -2.705 9.264) 9.736 ======================= Grid point 417 (220/413) ======================= q-point: ( 0.08 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -3.744 5.837 -0.453) 6.949 1.411 ( -1.590 -4.171 -1.963) 4.876 1.897 ( -0.512 13.352 1.533) 13.449 2.104 ( 0.081 5.678 1.854) 5.973 2.185 ( -1.995 -4.224 -2.318) 5.215 2.361 ( 0.692 -9.770 3.251) 10.320 2.810 ( 10.532 2.655 -6.126) 12.470 2.911 ( 8.499 -8.090 -7.977) 14.188 3.906 ( 5.763 9.424 -20.176) 23.002 4.134 ( 9.611 -12.476 -22.435) 27.411 6.068 ( -1.445 5.918 9.214) 11.046 6.158 ( -0.975 -2.846 8.144) 8.682 ======================= Grid point 418 (221/413) ======================= q-point: ( 0.15 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -4.882 6.859 -0.953) 8.473 1.338 ( -3.959 -5.416 -3.113) 7.395 1.872 ( -2.507 10.810 1.802) 11.242 2.077 ( -3.309 -2.996 0.135) 4.465 2.153 ( -2.607 5.389 4.608) 7.555 2.375 ( -2.077 -10.063 5.883) 11.840 3.017 ( 12.391 -0.084 -11.312) 16.778 3.052 ( 8.976 -3.991 -14.644) 17.634 4.097 ( 19.271 12.053 -13.409) 26.390 4.373 ( 20.021 -14.640 -13.424) 28.202 6.052 ( -3.155 6.442 8.060) 10.790 6.142 ( -3.130 -2.498 6.786) 7.879 ======================= Grid point 419 (222/413) ======================= q-point: ( 0.23 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( -3.553 6.655 0.764) 7.583 1.253 ( -3.314 -5.746 -2.005) 6.929 1.812 ( -3.799 9.309 0.536) 10.069 1.990 ( -4.972 -3.748 -0.686) 6.263 2.081 ( -6.668 5.977 7.494) 11.677 2.300 ( -7.496 -10.970 7.322) 15.171 3.183 ( 10.041 1.534 -14.659) 17.834 3.231 ( 13.236 -2.663 -12.086) 18.121 4.528 ( 25.196 11.558 -7.247) 28.652 4.794 ( 23.820 -14.047 -6.439) 28.393 6.002 ( -4.165 6.397 6.341) 9.924 6.082 ( -4.781 -1.591 5.046) 7.131 ======================= Grid point 420 (223/413) ======================= q-point: ( 0.31 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -1.824 5.666 2.977) 6.655 1.194 ( -2.391 -5.417 0.243) 5.926 1.731 ( -3.875 7.713 -1.849) 8.828 1.884 ( -5.295 -2.154 0.325) 5.725 1.950 ( -8.730 3.076 8.042) 12.262 2.145 ( -10.199 -11.030 9.333) 17.686 3.364 ( 12.569 5.856 -11.078) 17.748 3.476 ( 14.560 -4.578 -7.230) 16.888 4.979 ( 20.008 10.955 -3.469) 23.073 5.224 ( 19.296 -12.815 -2.101) 23.259 5.939 ( -3.393 5.481 3.608) 7.388 5.994 ( -4.913 0.006 2.430) 5.482 ======================= Grid point 421 (224/413) ======================= q-point: ( 0.38 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.015 3.413 4.591) 5.721 1.156 ( -1.917 -4.253 2.425) 5.258 1.651 ( -3.036 5.429 -3.213) 7.002 1.786 ( -4.648 -7.039 -3.070) 8.977 1.808 ( -7.675 6.411 12.762) 16.213 1.981 ( -9.262 -9.881 11.632) 17.853 3.603 ( 13.943 8.839 -5.713) 17.469 3.760 ( 15.254 -6.131 -2.030) 16.565 5.245 ( 6.061 11.692 -0.421) 13.176 5.490 ( 5.549 -12.117 1.663) 13.431 5.918 ( 1.159 3.597 -0.429) 3.803 5.938 ( 0.739 1.757 -1.643) 2.516 ======================= Grid point 422 (225/413) ======================= q-point: ( 0.46 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.960 0.319 5.005) 5.106 1.137 ( -0.529 -2.381 3.977) 4.665 1.586 ( -2.870 3.088 -0.869) 4.304 1.668 ( -5.412 -4.829 1.034) 7.327 1.761 ( -1.685 2.838 8.683) 9.289 1.874 ( -4.868 -7.867 11.365) 14.654 3.871 ( 13.520 11.043 -0.641) 17.468 4.064 ( 14.766 -7.491 2.044) 16.683 5.226 ( -6.469 12.382 -0.320) 13.974 5.458 ( -7.384 -9.830 1.766) 12.421 5.966 ( 3.304 3.470 -4.005) 6.245 6.001 ( 3.639 -0.315 -1.823) 4.082 ======================= Grid point 423 (226/413) ======================= q-point: (-0.46 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -0.666 2.543 5.062) 5.704 1.190 ( 3.269 -4.591 3.311) 6.536 1.529 ( -2.990 2.216 2.854) 4.690 1.592 ( -2.570 -4.313 2.091) 5.439 1.787 ( 1.195 2.067 8.345) 8.679 1.881 ( 2.174 -7.090 7.720) 10.704 4.121 ( 10.336 13.383 2.745) 17.131 4.353 ( 12.715 -9.128 4.165) 16.197 5.035 ( -11.112 12.454 -2.771) 16.919 5.264 ( -11.478 -9.386 -0.968) 14.859 5.977 ( -1.219 3.402 -4.027) 5.411 6.019 ( -1.667 -0.966 -0.889) 2.122 ======================= Grid point 424 (227/413) ======================= q-point: (-0.38 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.215 6.177 4.172) 7.457 1.257 ( 2.206 -6.073 1.058) 6.547 1.497 ( -1.203 3.437 4.530) 5.812 1.588 ( 1.555 -5.336 2.156) 5.961 1.871 ( 4.351 3.241 8.572) 10.144 1.994 ( 6.274 -8.161 5.097) 11.487 4.260 ( 1.008 17.804 2.189) 17.966 4.578 ( 7.006 -12.961 4.990) 15.555 4.796 ( -10.054 10.971 -6.050) 16.064 5.005 ( -13.056 -9.376 -4.415) 16.669 5.898 ( -4.912 3.476 -2.041) 6.355 5.938 ( -5.605 -0.749 0.466) 5.674 ======================= Grid point 425 (228/413) ======================= q-point: (-0.31 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.221 7.698 2.277) 8.030 1.281 ( 0.272 -5.507 -0.186) 5.517 1.520 ( 1.908 6.399 4.473) 8.037 1.665 ( 5.288 -6.882 0.282) 8.684 2.013 ( 6.533 3.668 8.513) 11.340 2.149 ( 7.280 -8.516 4.119) 11.936 4.118 ( -14.489 21.684 -3.727) 26.344 4.504 ( -17.469 -10.684 9.186) 22.443 4.679 ( -1.823 -1.364 -18.696) 18.834 4.781 ( -4.448 -5.446 -5.000) 8.628 5.809 ( -3.161 3.191 3.169) 5.497 5.839 ( -3.771 0.167 3.430) 5.100 ======================= Grid point 426 (229/413) ======================= q-point: (-0.23 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.238 7.450 1.150) 7.542 1.280 ( 0.075 -5.021 -0.623) 5.061 1.598 ( 4.398 9.455 2.809) 10.799 1.784 ( 6.536 -7.368 -1.766) 10.006 2.179 ( 6.858 3.113 7.921) 10.930 2.302 ( 6.365 -7.581 3.851) 10.622 3.718 ( -22.339 20.016 -7.043) 30.811 4.067 ( -26.645 -12.662 3.511) 29.708 4.523 ( -5.994 3.933 -19.676) 20.941 4.672 ( -5.633 -9.673 -13.810) 17.776 5.807 ( 0.886 3.377 8.457) 9.149 5.842 ( 1.879 0.074 7.742) 7.967 ======================= Grid point 427 (230/413) ======================= q-point: (-0.15 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( 1.510 6.758 1.251) 7.037 1.289 ( 1.218 -4.715 -0.556) 4.902 1.704 ( 5.338 11.382 0.522) 12.583 1.906 ( 6.276 -6.928 -2.489) 9.673 2.331 ( 5.651 1.649 6.380) 8.681 2.421 ( 4.056 -5.779 3.580) 7.916 3.212 ( -24.593 16.728 -7.976) 30.794 3.514 ( -27.936 -12.545 0.592) 30.629 4.320 ( -6.664 4.884 -21.866) 23.375 4.474 ( -7.118 -9.899 -21.708) 24.898 5.885 ( 2.948 3.977 10.473) 11.584 5.937 ( 3.879 -1.137 9.977) 10.765 ======================= Grid point 428 (231/413) ======================= q-point: (-0.08 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 3.922 5.598 2.189) 7.178 1.331 ( 3.039 -4.058 -0.120) 5.071 1.807 ( 4.781 13.073 -1.023) 13.958 2.014 ( 5.105 -5.307 -1.511) 7.517 2.421 ( -0.328 -0.615 1.743) 1.878 2.478 ( 0.236 -4.733 2.522) 5.368 2.743 ( -16.387 13.839 -6.479) 22.405 3.020 ( -19.091 -13.247 -1.083) 23.262 4.118 ( -5.450 5.116 -22.876) 24.066 4.267 ( -4.637 -9.175 -26.663) 28.576 5.978 ( 2.359 4.502 10.645) 11.796 6.046 ( 3.173 -2.125 10.053) 10.754 ======================= Grid point 507 (232/413) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -3.313 0.000 9.742) 10.290 0.816 ( 0.133 0.000 9.713) 9.713 1.232 ( 0.312 0.000 -4.415) 4.426 1.332 ( -0.941 0.000 -4.994) 5.082 1.945 ( -4.540 0.000 19.868) 20.380 2.326 ( 0.612 0.000 8.782) 8.804 3.767 ( -1.466 0.000 13.975) 14.051 3.830 ( 28.095 0.000 9.647) 29.705 4.359 ( -6.693 0.000 -8.891) 11.128 4.638 ( 0.882 0.000 -10.585) 10.622 5.390 ( -20.426 0.000 -0.202) 20.427 5.656 ( 6.435 0.000 -10.410) 12.238 ======================= Grid point 508 (233/413) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 4.800 0.000 11.546) 12.504 0.897 ( 4.499 0.000 9.230) 10.268 1.321 ( 1.553 0.000 -4.980) 5.217 1.322 ( 9.063 0.000 -4.865) 10.287 1.980 ( 0.991 0.000 19.013) 19.039 2.369 ( 1.188 0.000 7.393) 7.488 3.718 ( -8.112 0.000 13.835) 16.038 3.952 ( -15.129 0.000 -7.402) 16.843 4.489 ( 20.023 0.000 -4.797) 20.590 4.546 ( -6.365 0.000 -10.612) 12.375 5.048 ( -12.218 0.000 2.948) 12.569 5.802 ( 10.088 0.000 -4.218) 10.934 ======================= Grid point 509 (234/413) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 8.308 0.000 12.971) 15.403 1.051 ( 7.737 0.000 7.978) 11.113 1.358 ( 3.775 0.000 -4.626) 5.971 1.496 ( 8.324 0.000 -4.215) 9.331 2.105 ( 5.284 0.000 15.616) 16.485 2.438 ( 3.782 0.000 5.875) 6.987 3.544 ( -13.722 0.000 13.239) 19.067 3.583 ( -15.870 0.000 -12.317) 20.089 4.314 ( -12.960 0.000 -10.479) 16.666 4.603 ( -4.831 0.000 -16.044) 16.755 5.082 ( 12.093 0.000 7.665) 14.317 6.009 ( 10.670 0.000 1.020) 10.719 ======================= Grid point 510 (235/413) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 7.832 0.000 12.533) 14.779 1.252 ( 9.625 0.000 5.857) 11.267 1.440 ( 5.958 0.000 -3.558) 6.939 1.591 ( 1.973 0.000 -1.088) 2.253 2.286 ( 7.924 0.000 10.542) 13.188 2.559 ( 6.053 0.000 3.815) 7.155 3.268 ( -9.802 0.000 -19.770) 22.067 3.272 ( -17.447 0.000 11.995) 21.173 3.963 ( -18.208 0.000 -10.001) 20.774 4.408 ( -6.861 0.000 -18.206) 19.456 5.358 ( 11.629 0.000 6.246) 13.200 6.220 ( 9.277 0.000 3.508) 9.918 ======================= Grid point 511 (236/413) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 5.979 0.000 7.946) 9.944 1.455 ( 8.642 0.000 1.063) 8.707 1.587 ( -1.900 0.000 4.942) 5.295 1.591 ( 10.449 0.000 -0.005) 10.449 2.481 ( 8.317 0.000 5.192) 9.805 2.662 ( 2.720 0.000 -3.851) 4.715 2.944 ( -18.722 0.000 9.849) 21.154 3.059 ( -3.391 0.000 -22.537) 22.791 3.531 ( -21.288 0.000 -8.825) 23.044 4.231 ( -4.001 0.000 -19.253) 19.664 5.582 ( 8.523 0.000 6.866) 10.945 6.395 ( 6.792 0.000 4.020) 7.892 ======================= Grid point 512 (237/413) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -2.075 0.000 -1.147) 2.371 1.611 ( 7.644 0.000 -1.149) 7.730 1.633 ( 3.708 0.000 13.367) 13.872 1.850 ( 14.269 0.000 0.707) 14.286 2.538 ( -5.587 0.000 -17.049) 17.941 2.608 ( -16.952 0.000 6.654) 18.211 2.698 ( 7.958 0.000 -5.630) 9.748 2.991 ( 1.336 0.000 -10.870) 10.951 3.073 ( -21.109 0.000 -6.440) 22.069 4.120 ( -0.712 0.000 -18.727) 18.740 5.750 ( 5.914 0.000 7.341) 9.427 6.516 ( 3.862 0.000 3.670) 5.328 ======================= Grid point 513 (238/413) ======================= q-point: (-0.54 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( -4.440 0.000 0.173) 4.444 1.757 ( 6.368 0.000 -0.193) 6.371 1.759 ( 4.053 0.000 9.551) 10.375 2.069 ( 1.503 0.000 -0.713) 1.663 2.290 ( -9.380 0.000 -26.036) 27.674 2.402 ( 0.718 0.000 1.912) 2.042 2.679 ( -14.771 0.000 -2.783) 15.031 2.850 ( 7.929 0.000 -5.067) 9.410 2.976 ( -0.550 0.000 -7.378) 7.399 4.063 ( 1.155 0.000 -17.929) 17.966 5.869 ( 3.379 0.000 6.953) 7.730 6.576 ( 1.008 0.000 3.183) 3.338 ======================= Grid point 514 (239/413) ======================= q-point: (-0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -5.718 0.000 1.251) 5.854 1.734 ( -10.586 0.000 0.182) 10.587 1.820 ( -0.698 0.000 -5.216) 5.263 2.031 ( 0.777 0.000 0.087) 0.782 2.062 ( -4.390 0.000 -9.866) 10.799 2.375 ( -4.520 0.000 1.559) 4.782 2.760 ( 20.358 0.000 -3.456) 20.649 2.897 ( -4.521 0.000 -6.272) 7.731 2.966 ( 4.473 0.000 -6.129) 7.587 4.039 ( 2.929 0.000 -18.716) 18.943 5.931 ( 0.634 0.000 5.695) 5.730 6.581 ( -1.397 0.000 2.771) 3.103 ======================= Grid point 515 (240/413) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -6.104 0.000 3.940) 7.265 1.482 ( -12.933 0.000 1.489) 13.019 1.713 ( -3.092 0.000 -14.408) 14.736 1.954 ( -7.483 0.000 -1.615) 7.656 2.060 ( 1.615 0.000 8.528) 8.679 2.488 ( 12.246 0.000 6.645) 13.933 2.740 ( -8.600 0.000 -7.419) 11.358 2.975 ( -2.886 0.000 -1.609) 3.305 3.202 ( 24.247 0.000 -6.372) 25.070 4.063 ( 6.587 0.000 -21.204) 22.204 5.933 ( -2.060 0.000 3.713) 4.246 6.542 ( -3.298 0.000 2.221) 3.976 ======================= Grid point 516 (241/413) ======================= q-point: (-0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -4.967 0.000 9.741) 10.934 1.249 ( -11.089 0.000 3.704) 11.691 1.666 ( 1.757 0.000 -2.875) 3.370 1.788 ( -7.828 0.000 -2.509) 8.220 2.135 ( 2.476 0.000 10.186) 10.482 2.511 ( -11.206 0.000 -7.231) 13.336 2.810 ( 15.936 0.000 9.626) 18.617 2.835 ( -11.008 0.000 3.330) 11.500 3.660 ( 23.510 0.000 -8.313) 24.936 4.156 ( 9.866 0.000 -22.091) 24.194 5.878 ( -4.042 0.000 0.833) 4.127 6.465 ( -5.107 0.000 1.145) 5.234 ======================= Grid point 517 (242/413) ======================= q-point: (-0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( -4.865 0.000 12.252) 13.182 1.061 ( -9.364 0.000 5.823) 11.027 1.630 ( -6.787 0.000 -3.394) 7.588 1.727 ( 0.648 0.000 6.427) 6.459 2.227 ( 0.373 0.000 9.770) 9.777 2.303 ( -2.073 0.000 -1.037) 2.317 2.582 ( -15.139 0.000 8.060) 17.151 3.162 ( 14.921 0.000 11.716) 18.971 4.070 ( 20.118 0.000 -9.493) 22.245 4.289 ( 10.104 0.000 -19.303) 21.787 5.784 ( -4.628 0.000 -3.416) 5.753 6.339 ( -7.725 0.000 -0.731) 7.760 ======================= Grid point 518 (243/413) ======================= q-point: (-0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -7.389 0.000 7.673) 10.652 0.967 ( -5.796 0.000 11.593) 12.961 1.495 ( -5.320 0.000 -4.156) 6.751 1.606 ( -12.355 0.000 -1.026) 12.398 2.223 ( 0.069 0.000 10.083) 10.083 2.264 ( -14.224 0.000 10.226) 17.518 2.603 ( 18.966 0.000 17.809) 26.016 3.469 ( 11.038 0.000 13.026) 17.074 4.388 ( 14.770 0.000 -10.134) 17.912 4.410 ( 7.207 0.000 -13.824) 15.590 5.681 ( -3.150 0.000 -8.874) 9.416 6.136 ( -12.427 0.000 -2.943) 12.771 ======================= Grid point 519 (244/413) ======================= q-point: (-0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -4.253 0.000 9.117) 10.060 0.871 ( -7.366 0.000 9.968) 12.394 1.350 ( -10.085 0.000 -3.771) 10.767 1.392 ( -3.346 0.000 -4.708) 5.776 2.038 ( -11.229 0.000 16.800) 20.207 2.278 ( 1.002 0.000 9.755) 9.807 3.173 ( 29.587 0.000 18.128) 34.699 3.681 ( 5.248 0.000 13.725) 14.694 4.458 ( 0.763 0.000 -9.067) 9.099 4.583 ( 8.138 0.000 -10.447) 13.243 5.616 ( 0.867 0.000 -12.943) 12.972 5.811 ( -18.685 0.000 -3.031) 18.929 ======================= Grid point 520 (245/413) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( -3.371 5.000 8.798) 10.666 0.890 ( 1.223 6.133 11.095) 12.736 1.259 ( 0.861 2.564 -4.395) 5.161 1.412 ( -2.108 7.374 -5.188) 9.259 2.012 ( -4.306 6.477 17.911) 19.527 2.310 ( 0.873 -1.396 8.526) 8.683 3.296 ( 13.302 -28.248 15.591) 34.899 3.948 ( 3.011 -1.298 2.001) 3.841 4.439 ( -5.490 2.596 -8.961) 10.825 4.617 ( 7.693 -1.396 -8.067) 11.234 5.437 ( -16.645 4.820 0.405) 17.334 5.713 ( 4.920 5.469 -8.428) 11.187 ======================= Grid point 521 (246/413) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 1.484 2.010 9.827) 10.139 1.006 ( 5.457 8.006 10.816) 14.522 1.297 ( 3.243 0.725 -3.230) 4.635 1.424 ( 5.289 6.418 -5.959) 10.231 2.044 ( 1.090 6.140 17.009) 18.116 2.356 ( 1.335 -1.093 6.988) 7.198 3.361 ( -9.030 -24.830 8.428) 27.732 4.009 ( -2.066 -1.140 -0.666) 2.452 4.315 ( -0.371 -9.957 -14.514) 17.605 4.743 ( 6.416 8.882 -5.029) 12.056 5.155 ( -10.832 10.131 4.490) 15.496 5.816 ( 7.545 1.784 -4.255) 8.844 ======================= Grid point 522 (247/413) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 6.659 -2.012 10.333) 12.456 1.162 ( 6.474 6.708 8.221) 12.430 1.362 ( 4.454 0.747 -0.645) 4.562 1.534 ( 5.846 3.069 -4.667) 8.086 2.161 ( 5.068 5.315 13.470) 15.342 2.423 ( 3.411 -1.394 5.068) 6.266 3.136 ( -12.232 -20.887 -1.103) 24.230 3.821 ( -12.888 2.286 -6.088) 14.436 4.231 ( -6.621 -1.882 -7.586) 10.244 4.778 ( -2.325 11.993 -11.950) 17.089 5.118 ( 6.024 4.346 7.861) 10.816 5.982 ( 9.416 -2.338 0.533) 9.716 ======================= Grid point 523 (248/413) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 8.700 -4.152 9.925) 13.836 1.308 ( 6.297 2.187 1.596) 6.855 1.483 ( 6.928 3.863 5.034) 9.394 1.589 ( 0.673 -0.182 -1.892) 2.017 2.327 ( 7.475 3.773 8.224) 11.737 2.514 ( 3.410 -4.157 1.821) 5.676 2.922 ( -6.353 -14.686 -8.627) 18.178 3.501 ( -16.081 0.616 -8.135) 18.032 4.014 ( -12.215 10.943 -3.660) 16.804 4.618 ( -7.514 16.554 -15.057) 23.605 5.332 ( 10.560 -2.161 6.587) 12.632 6.180 ( 9.248 -3.826 3.205) 10.509 ======================= Grid point 524 (249/413) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 6.547 -4.551 6.022) 9.992 1.438 ( 7.122 -2.050 0.142) 7.412 1.569 ( -1.401 -1.102 1.406) 2.270 1.669 ( 9.410 5.629 6.371) 12.682 2.503 ( 0.582 -8.200 -7.479) 11.114 2.511 ( 4.241 0.568 1.550) 4.551 2.857 ( 2.277 -7.158 -8.937) 11.674 3.145 ( -16.440 4.113 -4.248) 17.471 3.732 ( -14.559 18.602 -4.679) 24.081 4.411 ( -6.830 16.148 -17.184) 24.550 5.553 ( 8.864 -2.738 6.840) 11.527 6.360 ( 7.260 -3.436 3.900) 8.929 ======================= Grid point 525 (250/413) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -1.244 -4.379 -1.865) 4.919 1.571 ( 3.757 -4.844 7.626) 9.785 1.631 ( 7.774 -0.146 1.141) 7.858 1.893 ( 10.612 3.622 3.865) 11.860 2.344 ( -7.275 -9.445 -15.387) 19.466 2.675 ( 6.236 2.726 -5.620) 8.827 2.787 ( -6.874 -0.521 -8.684) 11.087 2.952 ( -0.292 7.148 4.548) 8.477 3.397 ( -16.563 22.944 -7.766) 29.344 4.247 ( -3.286 12.619 -17.599) 21.904 5.730 ( 6.363 -1.995 7.035) 9.693 6.491 ( 4.318 -2.507 3.702) 6.216 ======================= Grid point 526 (251/413) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -3.889 -3.757 -0.409) 5.423 1.679 ( 4.617 -4.402 3.317) 7.190 1.772 ( 3.758 -3.541 2.951) 5.947 2.081 ( 6.552 2.433 0.177) 6.992 2.132 ( -7.619 -6.674 -17.472) 20.196 2.592 ( -1.988 12.539 -1.072) 12.741 2.862 ( 6.149 1.878 -7.213) 9.662 2.973 ( 0.065 3.390 -3.415) 4.813 3.051 ( -11.496 26.148 -5.495) 29.088 4.155 ( -0.010 9.451 -17.341) 19.750 5.853 ( 3.516 -1.557 6.517) 7.567 6.557 ( 1.147 -1.867 3.332) 3.988 ======================= Grid point 527 (252/413) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -4.893 -2.566 1.679) 5.774 1.714 ( -4.498 -2.914 -1.268) 5.507 1.775 ( -2.333 -2.511 -3.155) 4.659 1.956 ( -2.977 -5.965 -6.799) 9.521 2.170 ( 1.491 8.018 -3.322) 8.806 2.599 ( -0.381 19.618 1.836) 19.708 2.801 ( 0.270 0.528 -5.686) 5.716 2.901 ( -1.342 -0.288 -7.835) 7.954 3.140 ( 10.586 19.948 -1.658) 22.644 4.127 ( 3.500 8.874 -17.902) 20.285 5.913 ( 0.425 -1.804 5.266) 5.583 6.562 ( -1.727 -1.964 3.005) 3.984 ======================= Grid point 528 (253/413) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -5.288 -1.049 4.901) 7.286 1.527 ( -11.871 3.247 -0.315) 12.311 1.668 ( -3.230 -2.197 -13.080) 13.651 1.984 ( 2.809 -5.894 6.944) 9.532 2.051 ( -9.223 6.908 -5.904) 12.948 2.663 ( -0.451 5.549 0.656) 5.606 2.814 ( 5.919 15.324 1.239) 16.475 2.886 ( 0.740 -5.048 -5.120) 7.228 3.371 ( 13.247 13.901 -3.855) 19.585 4.187 ( 8.996 11.977 -18.542) 23.837 5.907 ( -2.482 -2.603 3.363) 4.924 6.512 ( -4.068 -2.928 2.548) 5.623 ======================= Grid point 529 (254/413) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( -5.183 -0.673 8.655) 10.110 1.292 ( -10.966 4.277 1.675) 11.889 1.591 ( -1.233 -3.935 -5.525) 6.894 1.854 ( -7.604 3.543 -3.530) 9.101 2.072 ( 3.087 -5.135 8.189) 10.147 2.507 ( -10.028 0.958 -6.186) 11.822 2.807 ( -8.170 -2.781 1.898) 8.836 3.093 ( 15.475 22.901 8.059) 28.791 3.635 ( 15.135 0.580 -9.375) 17.813 4.350 ( 12.648 16.514 -16.331) 26.446 5.842 ( -4.414 -3.554 0.624) 5.701 6.418 ( -6.053 -4.466 1.624) 7.695 ======================= Grid point 530 (255/413) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -6.120 -1.486 8.707) 10.746 1.118 ( -7.871 4.363 8.082) 12.095 1.538 ( -4.279 -5.472 -2.298) 7.317 1.774 ( -0.021 0.788 3.587) 3.672 2.169 ( 3.906 -5.128 9.075) 11.132 2.282 ( -8.628 1.330 -5.638) 10.393 2.595 ( -13.556 1.195 6.824) 15.223 3.427 ( 14.164 20.700 9.601) 26.857 3.904 ( 15.307 -7.650 -12.392) 21.128 4.545 ( 10.805 17.302 -12.462) 23.904 5.746 ( -4.315 -3.702 -3.317) 6.582 6.279 ( -8.296 -5.747 0.010) 10.092 ======================= Grid point 531 (256/413) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -6.107 -0.381 8.241) 10.264 1.021 ( -5.925 4.244 11.150) 13.321 1.419 ( -5.613 -3.918 -3.913) 7.884 1.727 ( -8.130 7.104 0.405) 10.804 2.196 ( 0.700 -2.300 7.383) 7.764 2.287 ( -6.879 0.238 8.483) 10.924 2.427 ( 6.785 -9.353 13.711) 17.931 3.705 ( 9.899 16.288 9.270) 21.195 4.159 ( 14.057 -8.895 -10.860) 19.866 4.663 ( 4.157 12.043 -9.871) 16.117 5.666 ( -1.341 -1.244 -7.871) 8.081 6.078 ( -11.646 -5.247 -1.887) 12.912 ======================= Grid point 532 (257/413) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -2.666 2.286 9.514) 10.142 0.936 ( -6.326 5.064 10.189) 13.018 1.307 ( -3.711 -0.842 -4.488) 5.884 1.534 ( -8.227 9.771 -3.973) 13.377 2.103 ( -10.365 6.104 14.991) 19.220 2.256 ( 1.437 -1.964 9.417) 9.726 2.840 ( 22.340 -23.152 17.130) 36.449 3.876 ( 4.301 8.982 7.036) 12.193 4.385 ( 11.011 -3.782 -5.807) 13.010 4.635 ( -2.707 2.376 -11.549) 12.097 5.644 ( 1.612 2.517 -9.865) 10.308 5.799 ( -14.714 -0.500 -2.536) 14.939 ======================= Grid point 533 (258/413) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -4.205 7.704 7.063) 11.266 1.017 ( 3.573 5.900 13.626) 15.273 1.328 ( 2.152 3.998 -4.229) 6.205 1.586 ( -4.359 8.362 -4.389) 10.402 2.188 ( -3.602 9.863 13.796) 17.338 2.284 ( 1.621 -0.282 7.071) 7.260 2.752 ( 12.425 -23.735 10.796) 28.884 3.840 ( -1.950 -8.496 -1.090) 8.785 4.368 ( -10.312 -8.088 -18.986) 23.070 4.557 ( 12.114 -6.258 -1.484) 13.716 5.578 ( -8.314 8.558 2.406) 12.172 5.861 ( 2.667 8.583 -4.702) 10.143 ======================= Grid point 534 (259/413) ======================= q-point: ( 0.08 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -2.273 5.383 7.918) 9.840 1.170 ( 5.928 7.616 13.425) 16.535 1.344 ( 0.761 3.888 -3.248) 5.123 1.551 ( 2.124 5.164 -4.933) 7.451 2.209 ( 0.872 9.145 12.527) 15.534 2.338 ( 1.749 -0.072 5.393) 5.670 2.876 ( -2.466 -21.155 2.998) 21.509 3.896 ( 3.800 -9.340 1.356) 10.174 4.100 ( -5.750 -11.124 -18.351) 22.216 4.805 ( 12.383 -2.889 -4.286) 13.418 5.412 ( -9.043 13.829 5.340) 17.365 5.891 ( 2.034 5.738 -3.691) 7.119 ======================= Grid point 535 (260/413) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 2.726 0.937 8.347) 8.831 1.297 ( 2.696 6.396 1.638) 7.132 1.398 ( 5.472 2.980 8.998) 10.945 1.586 ( 1.732 1.387 -3.627) 4.252 2.292 ( 3.430 5.528 7.559) 9.973 2.397 ( 2.592 0.128 3.384) 4.265 2.774 ( -4.339 -13.597 -7.553) 16.148 3.700 ( -13.243 -10.274 -13.486) 21.513 4.217 ( 9.772 -3.113 0.489) 10.268 4.979 ( 6.036 6.308 -7.765) 11.684 5.284 ( -4.895 11.752 7.382) 14.716 5.941 ( 4.495 -0.754 -0.827) 4.633 ======================= Grid point 536 (261/413) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 6.575 -3.449 7.850) 10.805 1.342 ( 3.010 1.609 -3.893) 5.177 1.553 ( 1.452 0.241 9.287) 9.403 1.600 ( 4.373 3.464 2.903) 6.289 2.367 ( 2.078 -4.147 -4.089) 6.184 2.461 ( 3.389 2.905 2.515) 5.123 2.715 ( 2.469 -5.251 -12.929) 14.171 3.398 ( -12.068 -7.142 -9.845) 17.134 4.309 ( -1.962 13.134 2.997) 13.613 4.969 ( -3.331 16.530 -11.735) 20.544 5.310 ( 4.980 1.505 7.133) 8.829 6.076 ( 8.254 -6.053 2.341) 10.499 ======================= Grid point 537 (262/413) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 7.107 -5.724 5.417) 10.612 1.384 ( 1.883 -2.369 -3.168) 4.381 1.542 ( 0.282 -2.023 0.108) 2.045 1.779 ( 7.492 4.832 12.392) 15.266 2.325 ( -2.396 -7.137 -13.657) 15.594 2.573 ( 7.391 2.541 -2.653) 8.253 2.751 ( 4.324 -1.807 -14.140) 14.896 3.181 ( -6.927 0.604 -0.193) 6.956 4.182 ( -10.449 23.446 1.348) 25.704 4.805 ( -7.605 21.180 -13.628) 26.308 5.485 ( 8.926 -3.286 6.369) 11.447 6.259 ( 8.332 -6.499 3.614) 11.168 ======================= Grid point 538 (263/413) ======================= q-point: ( 0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -0.894 -3.602 -2.422) 4.432 1.443 ( 5.176 -7.136 3.971) 9.669 1.598 ( 4.447 -2.925 -0.976) 5.412 1.965 ( 6.832 2.535 11.591) 13.691 2.204 ( -4.160 -4.382 -15.449) 16.588 2.712 ( 7.149 0.586 -12.731) 14.613 2.767 ( 2.374 -0.278 -4.542) 5.133 3.137 ( 1.676 10.148 1.690) 10.423 3.929 ( -14.054 28.193 -1.795) 31.552 4.605 ( -6.887 21.510 -14.075) 26.612 5.675 ( 7.358 -3.221 5.875) 9.952 6.414 ( 5.518 -5.105 3.790) 8.418 ======================= Grid point 539 (264/413) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -2.811 -2.776 -0.506) 3.983 1.564 ( 5.444 -7.195 2.035) 9.249 1.664 ( 1.746 -5.147 -1.914) 5.762 2.030 ( -5.391 -4.054 -6.665) 9.482 2.167 ( 6.905 4.022 2.929) 8.511 2.742 ( 2.361 2.634 -4.522) 5.741 2.849 ( 3.467 -2.871 -3.780) 5.878 3.190 ( 2.076 17.787 -9.980) 20.501 3.671 ( -8.081 32.139 -0.142) 33.140 4.451 ( -3.244 19.355 -14.027) 24.123 5.808 ( 3.824 -2.834 5.069) 6.954 6.498 ( 1.547 -4.024 3.693) 5.677 ======================= Grid point 540 (265/413) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -3.693 -1.737 2.484) 4.777 1.644 ( -2.690 -3.795 -1.454) 4.874 1.666 ( 3.637 -7.520 -0.598) 8.375 1.882 ( -5.322 -2.140 -7.284) 9.272 2.306 ( 3.752 4.500 2.683) 6.444 2.789 ( 1.801 1.214 -2.370) 3.215 2.803 ( -6.951 -3.015 -6.101) 9.728 3.144 ( 2.389 24.471 -9.619) 26.402 3.671 ( 4.655 29.796 0.667) 30.165 4.401 ( 3.722 17.910 -13.478) 22.722 5.859 ( -0.229 -3.473 3.865) 5.201 6.501 ( -2.505 -4.087 3.564) 5.973 ======================= Grid point 541 (266/413) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -4.640 -1.192 5.250) 7.107 1.546 ( -6.999 -1.487 1.517) 7.314 1.643 ( -3.772 -1.945 -9.279) 10.204 1.853 ( 3.281 -5.929 1.227) 6.887 2.238 ( -10.263 11.723 -8.012) 17.520 2.643 ( -3.811 -3.487 -3.613) 6.304 2.784 ( -1.716 -4.058 -2.638) 5.136 3.284 ( 11.382 22.904 -3.026) 25.755 3.751 ( 3.125 24.112 -0.449) 24.317 4.520 ( 11.758 19.917 -11.408) 25.789 5.828 ( -3.814 -5.204 2.240) 6.830 6.427 ( -5.923 -5.450 3.311) 8.703 ======================= Grid point 542 (267/413) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -5.286 -1.268 7.089) 8.934 1.386 ( -9.044 3.333 2.603) 9.984 1.537 ( -3.540 -1.998 -6.608) 7.758 1.919 ( -2.334 -1.301 -6.873) 7.374 1.989 ( -4.491 3.897 0.427) 5.961 2.545 ( -6.439 1.792 -3.191) 7.406 2.728 ( -3.407 -4.670 -0.989) 5.864 3.494 ( 10.537 12.140 -9.309) 18.576 3.846 ( 6.659 22.922 5.705) 24.542 4.740 ( 12.346 20.746 -9.465) 25.931 5.734 ( -5.410 -7.169 0.097) 8.982 6.294 ( -8.197 -7.547 2.698) 11.464 ======================= Grid point 543 (268/413) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -5.408 -0.957 7.559) 9.344 1.229 ( -7.657 6.206 6.458) 11.783 1.451 ( -3.696 -3.206 -3.701) 6.135 1.770 ( -2.900 1.145 -5.100) 5.978 2.064 ( 4.223 -4.957 6.359) 9.102 2.370 ( -8.604 6.179 -6.044) 12.196 2.618 ( -8.185 0.602 3.896) 9.085 3.652 ( 10.400 -0.683 -15.859) 18.977 4.038 ( 8.205 21.409 10.960) 25.413 4.893 ( 4.712 15.846 -8.661) 18.663 5.645 ( -2.005 -5.714 -2.429) 6.525 6.127 ( -8.965 -8.677 1.536) 12.570 ======================= Grid point 544 (269/413) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -3.492 1.229 8.543) 9.310 1.127 ( -5.688 6.322 9.915) 13.063 1.364 ( -3.081 -1.687 -4.269) 5.529 1.778 ( 1.166 -2.573 3.791) 4.728 2.176 ( 3.955 -4.483 7.549) 9.629 2.209 ( -2.478 3.725 -5.519) 7.105 2.446 ( -10.247 5.647 8.575) 14.506 3.807 ( 9.738 -6.075 -14.322) 18.353 4.209 ( 5.095 11.874 9.226) 15.877 4.844 ( -5.756 4.711 -9.936) 12.412 5.657 ( 3.626 1.244 -3.792) 5.392 5.957 ( -7.935 -5.667 -0.070) 9.751 ======================= Grid point 545 (270/413) ======================= q-point: (-0.08 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.791 4.511 10.286) 11.259 1.053 ( -5.426 6.514 9.910) 13.041 1.316 ( 0.026 1.342 -4.567) 4.760 1.721 ( -6.640 6.712 -1.209) 9.518 2.215 ( 1.727 -1.024 8.118) 8.362 2.263 ( -5.827 8.071 8.717) 13.233 2.423 ( 12.426 -15.033 10.095) 21.962 3.892 ( 0.950 -6.057 -5.856) 8.479 4.339 ( 7.894 -2.807 -0.103) 8.379 4.639 ( -9.929 -2.241 -12.148) 15.848 5.695 ( -1.672 2.467 -1.233) 3.225 5.840 ( -1.362 5.142 -3.146) 6.180 ======================= Grid point 546 (271/413) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -2.421 4.848 12.625) 13.738 1.156 ( 2.579 8.898 6.489) 11.311 1.406 ( 4.075 3.288 -3.444) 6.267 1.690 ( -5.053 1.399 -0.940) 5.326 2.261 ( 0.837 -1.366 5.306) 5.543 2.405 ( 9.478 -2.575 -2.378) 10.105 2.428 ( -0.203 5.164 8.565) 10.003 3.623 ( -4.119 -12.706 -0.949) 13.391 4.163 ( -10.129 -11.409 -23.531) 28.044 4.355 ( 9.942 -13.136 -1.500) 16.542 5.760 ( -3.193 9.135 4.632) 10.728 6.035 ( 1.743 8.154 -1.584) 8.488 ======================= Grid point 547 (272/413) ======================= q-point: ( 0.08 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -4.679 6.109 7.224) 10.555 1.310 ( 6.634 6.682 12.841) 15.923 1.449 ( 0.447 6.215 -3.671) 7.232 1.599 ( -2.086 -0.494 -2.276) 3.127 2.280 ( -0.200 -2.326 2.562) 3.466 2.441 ( 0.714 8.415 7.158) 11.070 2.578 ( 5.838 -6.662 -6.705) 11.110 3.650 ( 3.510 -14.679 0.963) 15.124 3.876 ( -5.397 -10.696 -16.994) 20.793 4.650 ( 17.982 -11.594 -5.299) 22.042 5.678 ( -6.580 12.266 5.890) 15.114 6.032 ( -1.246 7.578 -2.182) 7.984 ======================= Grid point 548 (273/413) ======================= q-point: ( 0.15 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.996 ( -1.556 3.488 6.671) 7.687 1.412 ( -1.273 5.110 -4.671) 7.039 1.480 ( 4.395 3.476 12.580) 13.772 1.591 ( 1.621 1.106 0.247) 1.978 2.273 ( -0.099 -4.680 -3.911) 6.100 2.481 ( 1.330 4.127 2.126) 4.829 2.639 ( 4.959 0.712 -11.242) 12.308 3.482 ( -10.889 -10.741 -11.052) 18.870 4.080 ( 18.540 -9.473 2.489) 20.968 4.989 ( 16.584 -5.475 -5.451) 18.295 5.553 ( -7.591 13.951 6.796) 17.275 5.983 ( -2.320 4.850 -1.909) 5.705 ======================= Grid point 549 (274/413) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 2.676 -0.708 6.278) 6.861 1.385 ( 0.186 2.845 -5.200) 5.931 1.502 ( -2.093 -4.125 0.621) 4.668 1.711 ( 5.594 6.621 13.898) 16.379 2.252 ( 0.406 -5.664 -10.716) 12.128 2.520 ( 3.518 1.930 -3.871) 5.576 2.715 ( 6.294 3.663 -13.498) 15.337 3.269 ( -6.724 -5.084 -4.406) 9.512 4.438 ( 13.601 -0.484 5.149) 14.551 5.217 ( 7.023 6.661 -8.268) 12.730 5.450 ( -4.084 11.836 6.172) 13.959 5.971 ( 2.693 -2.933 0.785) 4.059 ======================= Grid point 550 (275/413) ======================= q-point: ( 0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.472 -4.324 4.926) 8.538 1.359 ( -1.594 -0.295 -4.158) 4.463 1.484 ( 1.332 -3.306 -1.582) 3.900 1.859 ( 3.770 3.177 16.163) 16.899 2.209 ( -0.841 -4.775 -12.328) 13.247 2.611 ( 7.317 2.396 -6.625) 10.157 2.760 ( 2.392 0.370 -14.438) 14.639 3.222 ( 3.239 4.487 0.673) 5.575 4.589 ( -0.995 14.746 5.057) 15.621 5.209 ( -3.430 17.324 -11.148) 20.885 5.466 ( 4.284 3.127 4.675) 7.070 6.105 ( 8.651 -8.446 3.342) 12.544 ======================= Grid point 551 (276/413) ======================= q-point: ( 0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 2.768 -4.067 0.513) 4.946 1.326 ( 1.035 -3.327 0.764) 3.567 1.532 ( 3.370 -3.210 -2.237) 5.163 1.969 ( 1.798 -1.663 11.733) 11.986 2.145 ( -1.362 -2.790 -6.317) 7.039 2.714 ( -1.398 -5.210 1.943) 5.733 2.768 ( 9.295 5.952 -15.951) 19.398 3.375 ( 11.138 13.088 -4.685) 17.813 4.472 ( -10.146 24.130 2.940) 26.340 5.056 ( -6.930 21.831 -10.585) 25.232 5.614 ( 7.525 -2.228 3.193) 8.473 6.284 ( 7.035 -7.744 3.903) 11.167 ======================= Grid point 552 (277/413) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -2.205 -0.866 0.960) 2.556 1.415 ( 5.152 -6.701 0.977) 8.508 1.579 ( 1.688 -3.379 -1.803) 4.185 1.952 ( -4.322 -3.815 -3.643) 6.820 2.177 ( 3.543 -3.438 9.277) 10.509 2.676 ( -2.281 -8.260 4.116) 9.507 2.922 ( 9.173 10.778 -11.360) 18.149 3.560 ( 8.218 17.730 -12.466) 23.180 4.287 ( -6.968 27.603 3.617) 28.698 4.889 ( -5.534 22.537 -9.459) 25.060 5.745 ( 3.997 -3.163 2.110) 5.517 6.393 ( 2.191 -6.485 4.014) 7.936 ======================= Grid point 553 (278/413) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -3.524 -0.611 3.603) 5.077 1.505 ( 3.234 -7.125 -1.486) 7.964 1.581 ( -0.807 -2.871 -0.374) 3.006 1.834 ( -5.056 -2.887 -4.128) 7.137 2.293 ( 4.240 -5.267 8.987) 11.246 2.648 ( -2.318 -9.326 4.078) 10.439 2.987 ( -0.740 15.697 -13.440) 20.678 3.605 ( 3.674 20.459 -13.383) 24.722 4.262 ( 1.195 27.082 3.687) 27.358 4.812 ( 2.058 21.381 -6.874) 22.553 5.777 ( -1.385 -4.459 0.992) 4.773 6.396 ( -3.229 -6.306 4.038) 8.155 ======================= Grid point 554 (279/413) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -4.765 -0.782 5.438) 7.273 1.493 ( -3.428 -3.726 -0.505) 5.089 1.561 ( -1.847 -4.325 -2.891) 5.520 1.769 ( 0.434 -2.998 -0.348) 3.049 2.385 ( 1.001 -1.850 5.648) 6.027 2.588 ( -4.293 -3.821 -2.934) 6.453 2.809 ( -8.744 12.584 -13.705) 20.559 3.677 ( 5.915 16.871 -11.282) 21.140 4.289 ( 0.866 26.528 4.153) 26.865 4.941 ( 11.223 20.453 -3.885) 23.651 5.698 ( -6.374 -7.446 -0.102) 9.802 6.297 ( -7.748 -7.256 3.921) 11.316 ======================= Grid point 555 (280/413) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -5.099 -0.716 6.628) 8.393 1.408 ( -4.644 -0.902 1.025) 4.841 1.484 ( -3.965 -2.551 -2.489) 5.331 1.829 ( 4.292 -4.222 0.833) 6.078 2.242 ( -12.688 15.390 -11.314) 22.931 2.544 ( 0.242 -2.264 -0.074) 2.278 2.652 ( -3.984 -0.894 -5.214) 6.623 3.698 ( 1.020 10.367 -15.396) 18.589 4.367 ( 4.038 24.622 9.642) 26.749 5.149 ( 8.260 18.908 -5.361) 21.319 5.553 ( -6.065 -10.692 0.158) 12.293 6.128 ( -9.806 -8.385 3.519) 13.374 ======================= Grid point 556 (281/413) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -3.783 0.471 7.515) 8.427 1.328 ( -3.675 2.261 2.278) 4.879 1.404 ( -3.486 -0.637 -0.492) 3.578 1.870 ( -3.697 5.296 -9.375) 11.384 2.011 ( -1.262 3.935 -1.982) 4.583 2.482 ( -5.458 4.185 -3.619) 7.771 2.604 ( -1.351 -2.060 0.466) 2.507 3.659 ( 1.779 3.036 -16.566) 16.936 4.452 ( -0.807 16.492 10.715) 19.684 5.098 ( -9.399 1.403 -9.475) 13.420 5.582 ( 7.273 2.190 1.757) 7.796 5.959 ( -7.199 -6.995 2.760) 10.410 ======================= Grid point 557 (282/413) ======================= q-point: (-0.15 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.645 2.837 8.772) 9.241 1.273 ( -3.803 7.299 6.177) 10.290 1.342 ( -1.541 -0.281 -3.136) 3.505 1.750 ( -1.433 2.761 -6.453) 7.163 2.088 ( 4.629 -3.342 3.751) 6.831 2.348 ( -5.387 7.056 -6.353) 10.916 2.553 ( -4.605 4.042 4.452) 7.574 3.679 ( 5.365 -4.747 -14.754) 16.401 4.369 ( -9.808 1.438 6.033) 11.604 4.832 ( -12.462 -5.369 -10.819) 17.354 5.724 ( 4.389 4.731 2.630) 6.968 5.900 ( 1.244 1.000 0.943) 1.854 ======================= Grid point 558 (283/413) ======================= q-point: (-0.08 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( 2.829 4.798 10.894) 12.235 1.205 ( -4.968 8.547 7.191) 12.225 1.344 ( 2.793 1.107 -4.050) 5.042 1.749 ( -0.154 -1.982 0.893) 2.179 2.192 ( 4.693 -4.691 3.191) 7.363 2.270 ( 1.129 5.226 -4.923) 7.268 2.470 ( -5.097 8.485 7.871) 12.646 3.718 ( -0.138 -9.815 -7.298) 12.232 4.208 ( -2.101 -10.197 -6.411) 12.227 4.530 ( -14.009 -8.745 -10.380) 19.506 5.774 ( 0.181 5.613 3.901) 6.838 5.975 ( 4.416 7.258 -0.815) 8.535 ======================= Grid point 559 (284/413) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -1.387 5.233 9.534) 10.964 1.354 ( 3.051 10.431 2.937) 11.258 1.437 ( 4.517 -0.333 -1.730) 4.848 1.711 ( -3.433 3.164 -3.083) 5.595 2.193 ( 2.589 -2.829 -1.944) 4.300 2.410 ( 6.344 2.695 -8.003) 10.562 2.592 ( -1.259 5.756 5.450) 8.026 3.334 ( -6.366 -15.672 -1.199) 16.958 3.931 ( -10.857 -11.081 -21.081) 26.174 4.061 ( 10.368 -14.867 -5.403) 18.913 5.938 ( -1.106 8.323 5.917) 10.272 6.176 ( 1.477 5.621 0.741) 5.859 ======================= Grid point 560 (285/413) ======================= q-point: ( 0.08 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( -5.124 4.873 7.778) 10.512 1.441 ( 2.516 3.834 1.852) 4.946 1.555 ( 6.057 3.312 2.296) 7.275 1.617 ( -3.012 7.168 -3.374) 8.476 2.206 ( 0.004 -3.538 -4.701) 5.884 2.521 ( 4.237 1.557 -8.980) 10.051 2.611 ( 3.468 4.140 1.500) 5.605 3.321 ( 3.368 -17.238 -0.714) 17.578 3.684 ( -3.365 -7.765 -11.562) 14.328 4.370 ( 20.431 -15.380 -7.641) 26.690 5.905 ( -4.192 10.130 6.208) 12.599 6.173 ( -1.822 5.923 -0.443) 6.213 ======================= Grid point 561 (286/413) ======================= q-point: ( 0.15 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -3.997 4.411 6.513) 8.823 1.448 ( -1.572 -4.280 -0.204) 4.564 1.525 ( -2.491 6.308 -3.708) 7.729 1.734 ( 6.649 11.181 7.871) 15.204 2.177 ( -0.078 -4.401 -9.328) 10.315 2.530 ( 1.470 1.863 -6.694) 7.102 2.707 ( 5.979 2.827 -8.930) 11.113 3.272 ( -5.486 -10.236 -3.775) 12.212 3.885 ( 21.213 -8.313 1.271) 22.819 4.788 ( 22.806 -13.370 -5.582) 27.019 5.821 ( -6.143 12.147 6.263) 14.984 6.104 ( -4.544 6.176 -1.343) 7.784 ======================= Grid point 562 (287/413) ======================= q-point: ( 0.23 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.929 2.423 6.123) 6.650 1.407 ( -2.219 -4.648 -0.753) 5.205 1.463 ( -1.670 4.834 -5.255) 7.333 1.862 ( 2.024 8.201 13.647) 16.050 2.148 ( 0.717 -4.698 -11.272) 12.233 2.570 ( 4.823 3.237 -5.252) 7.831 2.764 ( 3.358 -0.103 -15.782) 16.136 3.210 ( 1.534 -0.806 1.511) 2.299 4.357 ( 22.574 -5.338 3.943) 23.529 5.206 ( 19.480 -7.377 -5.221) 21.475 5.714 ( -6.023 13.045 5.200) 15.281 5.995 ( -5.292 4.649 -0.987) 7.113 ======================= Grid point 563 (288/413) ======================= q-point: ( 0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( 2.451 -0.446 5.609) 6.138 1.347 ( -2.966 -1.651 -1.225) 3.608 1.448 ( 1.572 0.795 -4.129) 4.489 1.916 ( -0.903 2.622 13.524) 13.805 2.116 ( -1.124 -4.625 -7.027) 8.488 2.644 ( -0.850 -2.705 3.757) 4.706 2.773 ( 7.848 4.765 -19.390) 21.454 3.358 ( 11.984 7.677 -0.216) 14.234 4.745 ( 12.908 2.230 5.208) 14.097 5.451 ( 5.710 6.266 -7.881) 11.575 5.642 ( -2.544 11.628 1.598) 12.010 5.949 ( 2.905 -5.254 2.789) 6.620 ======================= Grid point 564 (289/413) ======================= q-point: ( 0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 4.130 -2.505 4.147) 6.366 1.296 ( -1.953 -0.604 1.009) 2.280 1.483 ( 2.933 -1.221 -3.315) 4.591 1.928 ( -1.578 -2.190 5.927) 6.513 2.061 ( -2.705 -5.081 2.381) 6.230 2.569 ( -5.666 -8.530 4.348) 11.125 2.960 ( 13.936 12.454 -11.179) 21.778 3.636 ( 15.298 11.749 -4.190) 19.739 4.856 ( -3.253 13.404 5.682) 14.918 5.446 ( -3.052 15.849 -8.857) 18.411 5.617 ( 2.425 3.349 -0.664) 4.188 6.105 ( 8.253 -9.780 4.008) 13.409 ======================= Grid point 565 (290/413) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -1.514 -0.064 3.460) 3.777 1.309 ( 3.583 -3.756 2.162) 5.624 1.526 ( 1.908 -1.802 -2.123) 3.376 1.867 ( -4.505 -4.891 -3.440) 7.487 2.068 ( 1.002 -5.893 11.346) 12.824 2.482 ( -4.485 -10.334 6.312) 12.913 3.209 ( 12.997 16.542 -6.854) 22.126 3.890 ( 11.013 14.424 -10.064) 20.751 4.750 ( -6.562 17.776 6.596) 20.064 5.310 ( -6.351 18.125 -5.708) 20.036 5.695 ( 3.645 -1.324 -2.999) 4.902 6.239 ( 3.190 -8.539 3.822) 9.884 ======================= Grid point 566 (291/413) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -3.858 0.365 4.994) 6.321 1.389 ( 3.039 -4.359 -0.079) 5.315 1.537 ( -0.429 -1.466 -0.158) 1.536 1.761 ( -4.230 -4.457 -2.941) 6.813 2.155 ( 3.607 -7.073 10.061) 12.817 2.442 ( -1.578 -10.655 6.020) 12.339 3.363 ( 2.638 20.341 -8.635) 22.254 3.979 ( 3.473 16.752 -14.109) 22.176 4.714 ( 0.101 16.885 7.791) 18.596 5.204 ( -1.516 15.891 -1.271) 16.014 5.698 ( -2.477 -2.470 -4.454) 5.663 6.251 ( -3.260 -7.814 3.716) 9.247 ======================= Grid point 567 (292/413) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -4.703 0.731 5.997) 7.657 1.408 ( -0.751 -3.751 -2.578) 4.613 1.514 ( -2.024 -0.796 1.394) 2.583 1.709 ( 0.187 -3.189 -0.371) 3.216 2.268 ( 4.175 -7.156 8.222) 11.672 2.453 ( 0.811 -8.252 3.009) 8.821 3.212 ( -12.038 23.513 -15.730) 30.744 3.994 ( 2.013 14.859 -13.058) 19.883 4.745 ( 0.142 17.406 6.453) 18.564 5.278 ( 7.280 9.169 5.355) 12.875 5.562 ( -8.885 -2.822 -6.814) 11.547 6.144 ( -8.175 -7.515 3.500) 11.643 ======================= Grid point 568 (293/413) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -4.120 1.843 6.729) 8.103 1.363 ( -1.994 -2.297 -3.624) 4.731 1.473 ( -2.460 0.961 2.837) 3.876 1.759 ( 4.181 -2.979 0.723) 5.184 2.358 ( 1.437 -4.018 4.701) 6.349 2.486 ( 2.098 -3.821 -0.245) 4.366 2.858 ( -15.659 21.327 -17.834) 31.908 3.928 ( -3.613 12.104 -15.302) 19.842 4.765 ( -2.080 13.708 8.753) 16.397 5.272 ( -13.891 -13.743 -4.600) 20.074 5.512 ( 10.158 13.449 2.424) 17.028 5.977 ( -8.564 -5.949 3.318) 10.943 ======================= Grid point 569 (294/413) ======================= q-point: (-0.23 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.008 ( -1.893 3.448 7.497) 8.466 1.321 ( -0.578 -0.925 -3.959) 4.106 1.443 ( -1.759 3.116 4.273) 5.574 1.861 ( 5.337 -2.407 0.493) 5.875 2.282 ( -9.240 14.279 -11.170) 20.348 2.536 ( -0.323 0.256 1.503) 1.559 2.564 ( -4.136 2.744 -8.666) 9.986 3.779 ( -5.135 8.386 -14.726) 17.708 4.627 ( -15.568 -0.743 5.310) 16.465 4.966 ( -13.150 -10.715 -7.759) 18.653 5.721 ( 7.822 8.598 4.745) 12.555 5.881 ( -0.673 -0.196 3.600) 3.667 ======================= Grid point 570 (295/413) ======================= q-point: (-0.15 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 1.372 4.889 8.471) 9.876 1.317 ( 1.499 -0.187 -4.168) 4.433 1.426 ( -1.822 5.644 4.756) 7.602 1.908 ( -3.854 8.728 -7.436) 12.097 2.074 ( -0.903 5.541 -6.801) 8.819 2.447 ( -3.058 2.208 -5.494) 6.664 2.593 ( 1.015 0.052 2.118) 2.349 3.647 ( -3.614 1.716 -10.109) 10.872 4.248 ( -19.392 -12.480 -3.812) 23.374 4.660 ( -15.356 -10.970 -8.332) 20.630 5.834 ( 3.141 6.225 5.955) 9.170 5.980 ( 6.829 5.413 2.817) 9.157 ======================= Grid point 571 (296/413) ======================= q-point: (-0.08 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 4.088 6.136 9.288) 11.858 1.341 ( 1.259 0.822 -2.739) 3.124 1.396 ( -1.497 7.719 2.879) 8.374 1.778 ( -2.988 6.711 -7.141) 10.245 2.130 ( 3.882 -1.787 -0.530) 4.306 2.382 ( -0.415 4.204 -7.827) 8.894 2.601 ( -1.091 3.827 4.335) 5.885 3.522 ( -8.698 -9.590 -1.581) 13.043 3.960 ( -2.640 -13.027 -14.969) 20.018 4.302 ( -16.615 -12.969 -10.062) 23.356 5.908 ( 1.871 7.187 5.957) 9.520 6.109 ( 4.772 5.611 1.873) 7.600 ======================= Grid point 572 (297/413) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -2.227 4.367 3.893) 6.260 1.406 ( 4.338 -1.424 -0.477) 4.590 1.592 ( 4.410 12.501 -0.288) 13.260 1.854 ( -3.932 10.873 -6.363) 13.197 2.153 ( 2.491 -2.003 -4.278) 5.341 2.442 ( 4.892 0.539 -10.096) 11.232 2.623 ( -1.138 -3.157 2.278) 4.056 3.003 ( -6.678 -16.669 -4.789) 18.585 3.734 ( -10.733 -7.867 -9.450) 16.321 3.806 ( 9.946 -9.463 -14.329) 19.844 6.092 ( -0.101 6.751 6.160) 9.140 6.256 ( 1.280 2.205 2.638) 3.668 ======================= Grid point 573 (298/413) ======================= q-point: ( 0.08 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -4.843 3.925 5.037) 8.014 1.418 ( -1.710 -2.901 -3.427) 4.805 1.704 ( 1.769 9.007 0.359) 9.186 1.842 ( 6.386 14.206 -2.212) 15.732 2.150 ( -0.789 -2.393 -6.846) 7.295 2.545 ( 5.724 0.670 -15.238) 16.292 2.607 ( 2.015 -5.199 3.389) 6.525 2.982 ( 4.312 -15.577 -3.958) 16.640 3.589 ( 0.996 -1.147 -6.253) 6.435 4.060 ( 19.271 -14.565 -9.507) 25.959 6.086 ( -2.503 7.713 5.824) 9.984 6.260 ( -1.547 2.566 1.328) 3.278 ======================= Grid point 574 (299/413) ======================= q-point: ( 0.15 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -4.327 3.793 5.750) 8.134 1.361 ( -2.217 -3.899 -2.260) 5.023 1.672 ( -2.968 8.123 -3.282) 9.250 1.994 ( 4.783 13.878 6.439) 16.030 2.093 ( -0.984 -4.167 -10.630) 11.460 2.561 ( 2.698 0.632 -5.448) 6.112 2.704 ( 5.543 -2.607 -11.893) 13.378 3.057 ( 3.501 -11.139 0.622) 11.693 3.803 ( 20.920 1.039 -1.683) 21.013 4.486 ( 25.020 -15.838 -6.316) 30.277 6.034 ( -4.480 8.865 5.290) 11.254 6.205 ( -4.188 3.373 0.164) 5.380 ======================= Grid point 575 (300/413) ======================= q-point: ( 0.23 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -2.455 3.595 5.914) 7.343 1.323 ( -1.387 -3.674 0.246) 3.935 1.585 ( -3.608 7.149 -5.380) 9.647 1.998 ( -3.375 0.253 1.012) 3.532 2.092 ( 0.322 3.803 0.806) 3.901 2.598 ( -1.377 -3.337 4.239) 5.568 2.761 ( 8.390 3.285 -18.826) 20.871 3.191 ( 10.314 -2.620 1.918) 10.813 4.299 ( 26.280 1.141 -0.072) 26.304 4.978 ( 24.939 -13.867 -4.409) 28.874 5.947 ( -5.691 9.625 4.067) 11.898 6.097 ( -6.369 4.260 -0.597) 7.686 ======================= Grid point 576 (301/413) ======================= q-point: ( 0.31 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.063 2.478 6.113) 6.596 1.300 ( -1.394 -2.596 2.132) 3.637 1.512 ( -1.509 5.055 -5.321) 7.493 1.930 ( -3.284 -3.647 -1.799) 5.227 2.062 ( -4.313 1.954 7.637) 8.986 2.516 ( -6.994 -8.238 5.089) 11.944 2.952 ( 14.728 11.278 -11.117) 21.626 3.467 ( 15.862 1.691 0.985) 15.982 4.780 ( 20.068 3.394 1.189) 20.388 5.413 ( 18.749 -9.219 -4.495) 21.371 5.851 ( -4.083 8.734 1.785) 9.805 5.953 ( -7.462 3.979 -0.257) 8.460 ======================= Grid point 577 (302/413) ======================= q-point: ( 0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 2.288 0.547 5.693) 6.160 1.278 ( -1.833 -1.399 3.524) 4.211 1.492 ( 1.010 2.170 -4.147) 4.788 1.849 ( -3.965 -6.436 -4.034) 8.568 2.001 ( -4.370 0.583 11.907) 12.697 2.386 ( -7.494 -9.198 6.774) 13.662 3.244 ( 16.650 15.018 -4.975) 22.967 3.803 ( 16.795 3.645 -0.052) 17.186 5.051 ( 4.841 8.026 3.728) 10.087 5.633 ( 6.056 1.142 -7.109) 9.409 5.756 ( -7.903 8.478 -2.574) 11.872 5.923 ( 6.751 -5.991 3.118) 9.549 ======================= Grid point 578 (303/413) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.849 -0.268 5.481) 5.553 1.259 ( 0.134 -1.500 3.737) 4.029 1.510 ( 1.535 0.232 -2.736) 3.146 1.747 ( -4.480 -6.744 -3.985) 9.024 1.988 ( -1.066 -1.501 12.424) 12.560 2.278 ( -5.501 -9.464 8.118) 13.628 3.557 ( 14.875 17.228 -1.719) 22.826 4.107 ( 13.347 5.953 -3.993) 15.150 5.025 ( -6.584 10.912 6.357) 14.242 5.566 ( -9.450 4.189 -1.050) 10.390 5.718 ( 4.510 5.292 -8.468) 10.957 6.067 ( 4.608 -7.650 1.876) 9.125 ======================= Grid point 579 (304/413) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -3.236 1.213 5.884) 6.824 1.322 ( 2.722 -2.487 2.325) 4.359 1.522 ( 0.172 -0.072 -0.740) 0.763 1.659 ( -2.622 -5.238 -2.948) 6.558 2.042 ( 2.159 -3.725 11.095) 11.901 2.236 ( -1.197 -9.281 7.838) 12.207 3.774 ( 5.835 19.667 -4.106) 20.921 4.267 ( 4.934 10.690 -11.333) 16.342 4.941 ( -3.029 6.770 11.216) 13.447 5.379 ( -8.926 0.470 1.535) 9.069 5.733 ( -0.231 6.277 -8.279) 10.393 6.097 ( -2.051 -6.820 1.452) 7.269 ======================= Grid point 580 (305/413) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -3.266 3.127 6.216) 7.687 1.355 ( 0.010 -1.790 0.024) 1.791 1.515 ( -0.836 0.654 1.174) 1.583 1.638 ( 1.522 -3.668 -1.550) 4.263 2.140 ( 3.776 -4.947 9.928) 11.717 2.283 ( 3.155 -8.170 5.541) 10.364 3.697 ( -10.078 23.776 -13.115) 28.964 4.271 ( 0.197 11.862 -12.999) 17.599 4.959 ( -0.771 3.421 10.228) 10.812 5.209 ( -10.548 -9.541 4.745) 14.994 5.688 ( -0.055 9.666 -5.115) 10.936 6.012 ( -6.149 -5.131 1.367) 8.125 ======================= Grid point 581 (306/413) ======================= q-point: (-0.31 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -2.396 5.093 6.458) 8.566 1.337 ( -1.076 -0.549 -1.346) 1.809 1.505 ( -0.458 2.144 2.078) 3.021 1.700 ( 4.727 -3.083 -1.195) 5.769 2.253 ( 4.221 -4.652 7.808) 10.022 2.382 ( 4.773 -6.014 3.389) 8.393 3.351 ( -17.578 25.709 -18.206) 36.075 4.169 ( -5.332 10.898 -15.613) 19.772 4.880 ( -16.625 -5.141 5.121) 18.139 4.967 ( -9.432 -12.010 1.858) 15.384 5.744 ( 5.589 8.870 2.362) 10.747 5.907 ( -3.628 -1.035 2.640) 4.605 ======================= Grid point 582 (307/413) ======================= q-point: (-0.23 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -0.745 6.123 6.921) 9.271 1.316 ( -0.310 0.071 -1.743) 1.772 1.513 ( 0.546 3.959 1.763) 4.368 1.808 ( 6.394 -3.097 -1.683) 7.301 2.351 ( 3.313 -2.140 3.420) 5.220 2.485 ( 4.256 -3.764 2.808) 6.338 2.907 ( -19.472 24.688 -19.632) 37.068 3.975 ( -8.080 10.211 -15.106) 19.944 4.420 ( -26.049 -17.017 -2.445) 31.211 4.754 ( -14.109 -10.618 -1.681) 17.738 5.869 ( 3.902 5.892 5.934) 9.228 5.932 ( 5.183 3.742 4.599) 7.875 ======================= Grid point 583 (308/413) ======================= q-point: (-0.15 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 1.816 5.904 7.613) 9.804 1.318 ( 1.185 0.086 -1.952) 2.285 1.536 ( 1.241 5.868 0.418) 6.013 1.935 ( 6.427 -2.702 -1.401) 7.111 2.380 ( -3.910 12.016 -9.691) 15.924 2.479 ( -11.997 9.400 -9.885) 18.166 2.570 ( 2.504 -1.922 1.490) 3.491 3.725 ( -17.384 3.584 -1.240) 17.793 3.923 ( -15.016 -16.820 -17.298) 28.419 4.413 ( -17.451 -12.975 -7.054) 22.861 5.964 ( 3.585 6.088 6.793) 9.802 6.074 ( 6.104 3.341 4.817) 8.463 ======================= Grid point 584 (309/413) ======================= q-point: (-0.08 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 4.765 4.929 7.970) 10.513 1.345 ( 2.034 0.161 -2.544) 3.261 1.559 ( 0.961 8.549 -0.923) 8.652 2.003 ( -4.312 10.035 -3.863) 11.586 2.122 ( -2.307 4.462 -11.388) 12.447 2.427 ( 0.896 1.025 -7.845) 7.962 2.615 ( 0.888 -2.331 2.994) 3.897 3.292 ( -20.405 -14.631 -0.042) 25.108 3.754 ( 0.910 -5.637 -18.058) 18.939 4.042 ( -15.801 -11.981 -10.632) 22.500 6.048 ( 2.230 6.294 6.570) 9.368 6.192 ( 3.993 2.460 3.903) 6.102 ======================= Grid point 585 (310/413) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( -0.653 1.629 0.979) 2.010 1.385 ( 1.803 -0.759 -0.014) 1.956 1.850 ( 5.222 12.501 -2.678) 13.810 2.063 ( 3.532 -7.421 -6.498) 10.477 2.132 ( -5.467 15.207 -3.883) 16.620 2.413 ( -4.117 -9.007 0.883) 9.943 2.527 ( 2.303 1.258 -11.512) 11.808 2.693 ( -1.890 -12.927 -9.557) 16.187 3.642 ( -3.880 -1.057 -7.883) 8.850 3.675 ( 2.635 -3.955 -12.920) 13.767 6.206 ( 0.539 4.410 5.532) 7.095 6.265 ( 0.985 -1.325 4.274) 4.582 ======================= Grid point 586 (311/413) ======================= q-point: ( 0.08 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -4.236 2.982 0.749) 5.234 1.363 ( -3.011 -2.549 -2.274) 4.553 1.895 ( -0.443 9.640 -1.959) 9.847 2.057 ( 0.227 -4.137 -8.863) 9.783 2.165 ( 5.218 12.966 2.119) 14.136 2.425 ( 3.280 -11.416 2.025) 12.049 2.572 ( 7.412 3.089 -14.827) 16.862 2.712 ( 5.579 -10.777 -8.172) 14.631 3.638 ( 7.292 5.580 -6.133) 11.042 3.803 ( 14.095 -10.613 -8.689) 19.667 6.213 ( -1.603 4.750 4.714) 6.881 6.274 ( -1.355 -1.221 3.113) 3.608 ======================= Grid point 587 (312/413) ======================= q-point: ( 0.15 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -3.645 3.085 2.811) 5.541 1.293 ( -2.784 -3.024 -0.595) 4.153 1.843 ( -3.375 8.397 -4.485) 10.100 1.992 ( -3.003 -6.136 -7.890) 10.436 2.270 ( 2.048 12.756 5.320) 13.972 2.489 ( 0.907 -8.322 3.936) 9.250 2.699 ( 9.866 3.792 -14.514) 17.954 2.839 ( 9.789 -9.576 -4.820) 14.517 3.921 ( 22.130 9.865 -4.356) 24.618 4.173 ( 24.451 -14.544 -6.088) 29.093 6.175 ( -3.651 4.953 3.803) 7.234 6.232 ( -3.651 -0.732 1.995) 4.225 ======================= Grid point 588 (313/413) ======================= q-point: ( 0.23 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -2.190 3.514 4.495) 6.111 1.254 ( -1.464 -3.246 2.396) 4.292 1.743 ( -4.366 8.086 -6.113) 11.037 1.898 ( -3.701 -6.993 -7.074) 10.613 2.264 ( -4.586 9.761 8.444) 13.697 2.456 ( -5.550 -8.982 6.335) 12.313 2.898 ( 14.407 8.735 -10.000) 19.593 3.077 ( 14.888 -8.179 -2.275) 17.139 4.422 ( 27.227 10.430 -3.315) 29.344 4.683 ( 26.860 -14.530 -4.291) 30.838 6.094 ( -5.387 4.879 2.571) 7.710 6.143 ( -5.697 0.036 0.897) 5.767 ======================= Grid point 589 (314/413) ======================= q-point: ( 0.31 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -0.893 3.501 5.539) 6.614 1.243 ( -1.023 -3.180 4.229) 5.389 1.640 ( -3.540 7.406 -5.663) 9.972 1.798 ( -3.985 -7.828 -5.925) 10.596 2.171 ( -7.158 7.443 10.169) 14.493 2.339 ( -7.971 -8.847 7.810) 14.241 3.194 ( 17.192 12.015 -4.108) 21.373 3.403 ( 17.459 -7.653 0.502) 19.070 4.922 ( 22.287 10.444 -2.095) 24.702 5.171 ( 21.995 -13.212 -3.082) 25.843 5.984 ( -5.820 4.188 0.739) 7.208 6.015 ( -7.003 1.095 -0.345) 7.096 ======================= Grid point 590 (315/413) ======================= q-point: ( 0.38 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.282 2.318 5.824) 6.275 1.238 ( -1.079 -2.447 5.081) 5.742 1.569 ( -1.756 5.343 -4.382) 7.129 1.701 ( -3.811 -7.393 -4.645) 9.527 2.069 ( -6.361 5.501 11.233) 14.032 2.209 ( -7.604 -8.114 9.123) 14.383 3.541 ( 17.669 13.668 0.121) 22.338 3.762 ( 17.520 -7.314 2.307) 19.125 5.244 ( 8.646 11.460 0.285) 14.358 5.492 ( 9.124 -11.935 -1.724) 15.122 5.881 ( -4.684 3.568 -2.668) 6.464 5.903 ( -0.574 0.902 -1.686) 1.996 ======================= Grid point 591 (316/413) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 0.970 0.259 5.802) 5.888 1.236 ( -0.679 -0.913 5.225) 5.347 1.538 ( -0.215 2.622 -3.188) 4.133 1.619 ( -2.779 -5.394 -3.555) 7.033 2.007 ( -3.503 3.237 11.576) 12.520 2.111 ( -5.167 -6.882 9.980) 13.178 3.881 ( 15.415 14.266 1.616) 21.066 4.100 ( 15.025 -6.437 1.392) 16.405 5.251 ( -6.838 11.968 2.760) 14.057 5.483 ( -7.796 -9.662 0.335) 12.419 5.858 ( 2.761 6.097 -5.774) 8.839 5.953 ( 4.074 -4.094 -2.622) 6.343 ======================= Grid point 592 (317/413) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -0.914 1.988 5.755) 6.157 1.276 ( 1.653 -2.260 4.624) 5.406 1.531 ( 0.266 0.982 -1.971) 2.218 1.570 ( -0.856 -3.174 -2.836) 4.341 2.014 ( 0.222 1.016 11.135) 11.183 2.082 ( -0.917 -5.695 9.793) 11.366 4.133 ( 8.423 15.147 -1.908) 17.436 4.343 ( 8.818 -4.156 -4.761) 10.849 5.081 ( -9.838 8.837 7.000) 14.963 5.277 ( -12.019 -8.912 2.308) 15.140 5.875 ( 0.219 6.375 -5.451) 8.390 5.983 ( -0.534 -4.845 -2.405) 5.435 ======================= Grid point 593 (318/413) ======================= q-point: (-0.38 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -0.914 4.433 5.559) 7.168 1.313 ( 0.314 -2.922 3.600) 4.647 1.535 ( 0.696 1.280 -0.833) 1.679 1.572 ( 2.018 -2.609 -2.487) 4.131 2.087 ( 3.238 0.029 10.285) 10.783 2.142 ( 3.574 -5.230 8.202) 10.363 4.143 ( -5.736 19.313 -12.155) 23.529 4.396 ( -0.280 -2.793 -14.144) 14.419 4.943 ( -8.308 -0.191 11.863) 14.484 5.036 ( -13.480 -7.345 6.519) 16.678 5.847 ( -0.593 5.784 -2.528) 6.340 5.933 ( -2.913 -3.349 -1.024) 4.555 ======================= Grid point 594 (319/413) ======================= q-point: (-0.31 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -1.144 5.536 5.450) 7.852 1.315 ( -0.991 -2.332 2.814) 3.787 1.558 ( 2.014 3.119 -0.776) 3.793 1.630 ( 4.480 -3.761 -2.784) 6.478 2.206 ( 5.019 0.387 8.690) 10.043 2.265 ( 5.652 -4.977 6.484) 9.937 3.861 ( -15.720 23.976 -17.890) 33.793 4.244 ( -8.324 -9.288 -20.946) 24.378 4.692 ( -19.986 -0.792 7.446) 21.343 4.817 ( -12.573 -8.197 6.198) 16.239 5.870 ( 3.003 3.710 2.786) 5.526 5.905 ( 0.640 -0.191 2.647) 2.730 ======================= Grid point 595 (320/413) ======================= q-point: (-0.23 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -0.758 5.287 5.542) 7.697 1.303 ( -0.840 -1.840 2.421) 3.155 1.608 ( 3.341 5.491 -1.832) 6.684 1.724 ( 5.836 -5.351 -3.616) 8.705 2.334 ( 4.877 1.276 6.108) 7.920 2.397 ( 5.240 -4.385 5.078) 8.513 3.430 ( -20.451 26.062 -18.577) 37.981 3.927 ( -16.788 -21.375 -19.864) 33.664 4.276 ( -20.656 9.986 0.206) 22.944 4.519 ( -17.268 -12.416 -1.602) 21.328 5.960 ( 3.972 2.999 6.042) 7.828 5.983 ( 4.984 0.822 5.581) 7.527 ======================= Grid point 596 (321/413) ======================= q-point: (-0.15 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.895 4.245 5.480) 6.990 1.306 ( 0.585 -1.526 2.034) 2.609 1.676 ( 4.281 7.939 -3.244) 9.586 1.835 ( 6.637 -6.998 -4.216) 10.526 2.428 ( 2.726 2.110 2.241) 4.111 2.497 ( 2.905 -4.007 3.644) 6.146 2.935 ( -22.028 25.202 -16.949) 37.519 3.434 ( -25.411 -23.534 -10.988) 36.336 3.936 ( -11.304 9.474 -11.290) 18.574 4.156 ( -16.327 -12.067 -8.024) 21.831 6.065 ( 3.942 3.672 6.753) 8.639 6.105 ( 4.778 -0.252 6.098) 7.752 ======================= Grid point 597 (322/413) ======================= q-point: (-0.08 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 3.256 2.423 4.605) 6.138 1.341 ( 2.091 -0.790 1.087) 2.485 1.757 ( 5.007 10.716 -4.034) 12.497 1.958 ( 6.933 -8.112 -4.150) 11.450 2.393 ( -11.979 9.803 -4.987) 16.262 2.518 ( -5.558 2.203 -2.868) 6.631 2.538 ( -1.812 7.025 -7.046) 10.113 2.929 ( -19.066 -20.348 -8.932) 29.280 3.735 ( -4.594 2.743 -13.204) 14.247 3.841 ( -11.224 -7.661 -11.260) 17.648 6.154 ( 2.539 4.059 6.310) 7.920 6.206 ( 3.150 -1.001 5.383) 6.317 ======================= Grid point 676 (323/413) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -1.757 0.000 7.876) 8.070 0.986 ( 0.385 0.000 5.767) 5.780 1.116 ( 0.631 0.000 -6.402) 6.433 1.227 ( -0.667 0.000 -4.257) 4.309 2.232 ( -1.385 0.000 6.941) 7.078 2.476 ( -0.170 0.000 4.422) 4.425 4.001 ( 13.904 0.000 5.436) 14.929 4.058 ( -1.314 0.000 12.687) 12.755 4.211 ( -6.011 0.000 -4.398) 7.448 4.398 ( 1.080 0.000 -11.377) 11.428 5.336 ( -8.698 0.000 -3.592) 9.410 5.524 ( 3.614 0.000 -2.021) 4.141 ======================= Grid point 677 (324/413) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.047 ( 3.919 0.000 3.552) 5.289 1.052 ( 6.518 0.000 8.551) 10.752 1.208 ( 9.774 0.000 -5.460) 11.196 1.231 ( 2.170 0.000 -2.110) 3.027 2.266 ( 2.224 0.000 7.302) 7.633 2.484 ( -0.027 0.000 2.844) 2.844 3.780 ( -19.597 0.000 -9.286) 21.686 4.004 ( -8.323 0.000 11.994) 14.599 4.309 ( -6.041 0.000 -10.730) 12.314 4.371 ( 6.311 0.000 -5.773) 8.553 5.139 ( -4.155 0.000 6.897) 8.052 5.756 ( 14.517 0.000 -0.473) 14.524 ======================= Grid point 678 (325/413) ======================= q-point: ( 0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 6.142 0.000 -0.386) 6.154 1.225 ( 7.323 0.000 3.791) 8.246 1.302 ( 5.087 0.000 1.604) 5.334 1.434 ( 12.692 0.000 0.789) 12.717 2.363 ( 4.268 0.000 7.694) 8.798 2.510 ( 2.717 0.000 0.527) 2.767 3.323 ( -21.362 0.000 -13.094) 25.055 3.812 ( -14.460 0.000 10.484) 17.861 4.088 ( -12.399 0.000 -9.394) 15.556 4.282 ( -8.535 0.000 -11.994) 14.721 5.262 ( 10.212 0.000 9.399) 13.879 6.040 ( 13.043 0.000 1.787) 13.164 ======================= Grid point 679 (326/413) ======================= q-point: ( 0.23 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 6.936 0.000 -3.463) 7.752 1.348 ( 4.674 0.000 -2.144) 5.142 1.445 ( 8.060 0.000 4.305) 9.138 1.688 ( 10.129 0.000 9.858) 14.134 2.455 ( 2.993 0.000 2.835) 4.123 2.606 ( 4.043 0.000 2.452) 4.729 2.867 ( -16.692 0.000 -18.999) 25.290 3.506 ( -18.983 0.000 7.748) 20.503 3.760 ( -17.145 0.000 -6.964) 18.505 4.059 ( -8.217 0.000 -12.146) 14.665 5.511 ( 10.670 0.000 7.764) 13.195 6.278 ( 9.946 0.000 2.158) 10.178 ======================= Grid point 680 (327/413) ======================= q-point: ( 0.31 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 2.418 0.000 -3.943) 4.625 1.415 ( 7.779 0.000 -3.572) 8.560 1.646 ( 10.339 0.000 3.833) 11.027 1.888 ( 4.925 0.000 17.635) 18.310 2.367 ( -16.091 0.000 -20.816) 26.310 2.529 ( 3.365 0.000 -2.602) 4.253 2.797 ( 5.538 0.000 -3.339) 6.467 3.120 ( -21.204 0.000 3.964) 21.571 3.371 ( -19.413 0.000 -3.542) 19.734 3.899 ( -3.606 0.000 -10.354) 10.963 5.727 ( 8.269 0.000 6.503) 10.520 6.451 ( 6.724 0.000 1.578) 6.907 ======================= Grid point 681 (328/413) ======================= q-point: ( 0.38 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 0.341 0.000 -2.324) 2.349 1.572 ( 9.051 0.000 -2.310) 9.341 1.878 ( 11.514 0.000 1.742) 11.646 1.932 ( -11.619 0.000 -2.179) 11.821 2.070 ( 0.127 0.000 -3.322) 3.325 2.586 ( 4.015 0.000 -9.843) 10.630 2.709 ( -19.700 0.000 0.974) 19.724 2.871 ( 2.544 0.000 -1.640) 3.027 2.978 ( -18.610 0.000 -0.700) 18.623 3.840 ( 0.268 0.000 -7.301) 7.306 5.884 ( 5.428 0.000 5.119) 7.461 6.560 ( 3.771 0.000 0.925) 3.883 ======================= Grid point 682 (329/413) ======================= q-point: ( 0.46 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -2.253 0.000 1.302) 2.602 1.656 ( -7.987 0.000 -18.135) 19.815 1.751 ( 8.014 0.000 -0.406) 8.024 2.053 ( 1.874 0.000 -0.776) 2.028 2.140 ( 1.679 0.000 14.135) 14.235 2.429 ( -3.913 0.000 0.195) 3.918 2.615 ( 3.326 0.000 -16.729) 17.057 2.647 ( -12.830 0.000 0.180) 12.831 2.896 ( 0.540 0.000 -0.382) 0.661 3.834 ( 0.625 0.000 -4.689) 4.731 5.978 ( 2.403 0.000 3.283) 4.068 6.611 ( 1.134 0.000 0.601) 1.283 ======================= Grid point 683 (330/413) ======================= q-point: (-0.46 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -2.935 0.000 6.033) 6.709 1.529 ( -0.129 0.000 -9.108) 9.109 1.741 ( -9.725 0.000 0.439) 9.735 2.039 ( -0.723 0.000 0.570) 0.921 2.216 ( 1.159 0.000 12.842) 12.895 2.410 ( 1.078 0.000 1.628) 1.953 2.597 ( 0.841 0.000 -19.547) 19.566 2.687 ( 16.160 0.000 -3.147) 16.464 2.900 ( 0.159 0.000 -0.586) 0.607 3.820 ( -0.534 0.000 -3.468) 3.509 6.002 ( -0.748 0.000 1.054) 1.293 6.612 ( -1.243 0.000 0.518) 1.347 ======================= Grid point 684 (331/413) ======================= q-point: (-0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -2.615 0.000 8.444) 8.840 1.522 ( -10.975 0.000 2.292) 11.212 1.595 ( 7.589 0.000 6.872) 10.238 1.917 ( -9.017 0.000 -1.864) 9.208 2.272 ( 0.664 0.000 7.924) 7.952 2.506 ( -3.971 0.000 -14.096) 14.644 2.631 ( 16.310 0.000 6.480) 17.550 2.894 ( -0.572 0.000 -3.381) 3.429 3.060 ( 21.427 0.000 -6.613) 22.424 3.802 ( 0.636 0.000 -4.033) 4.083 5.955 ( -3.843 0.000 -1.389) 4.087 6.566 ( -3.525 0.000 0.309) 3.539 ======================= Grid point 685 (332/413) ======================= q-point: (-0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( -3.698 0.000 7.366) 8.242 1.332 ( -9.158 0.000 4.064) 10.020 1.724 ( -8.837 0.000 -3.477) 9.497 1.837 ( 8.823 0.000 18.174) 20.202 2.281 ( -0.081 0.000 -6.402) 6.402 2.393 ( -2.773 0.000 4.509) 5.294 2.825 ( -5.529 0.000 -3.295) 6.437 3.019 ( 18.597 0.000 9.580) 20.920 3.471 ( 21.786 0.000 -9.088) 23.605 3.845 ( 5.878 0.000 -6.045) 8.431 5.841 ( -6.577 0.000 -4.007) 7.701 6.470 ( -6.054 0.000 -0.363) 6.064 ======================= Grid point 686 (333/413) ======================= q-point: (-0.23 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( -7.651 0.000 5.431) 9.383 1.239 ( -4.431 0.000 7.420) 8.643 1.546 ( -7.508 0.000 -4.606) 8.808 1.835 ( -11.512 0.000 -1.086) 11.563 2.359 ( 2.617 0.000 8.815) 9.195 2.496 ( 11.507 0.000 14.057) 18.166 2.670 ( -6.311 0.000 -0.342) 6.321 3.413 ( 16.611 0.000 11.482) 20.193 3.852 ( 19.263 0.000 -10.619) 21.996 3.993 ( 10.622 0.000 -6.646) 12.530 5.670 ( -8.387 0.000 -6.988) 10.917 6.315 ( -9.303 0.000 -1.461) 9.417 ======================= Grid point 687 (334/413) ======================= q-point: (-0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -5.910 0.000 6.335) 8.663 1.162 ( -5.969 0.000 7.029) 9.222 1.395 ( -5.717 0.000 -5.235) 7.752 1.533 ( -15.423 0.000 -5.504) 16.376 2.393 ( -3.187 0.000 4.737) 5.709 2.449 ( -5.735 0.000 6.209) 8.453 2.996 ( 22.694 0.000 18.202) 29.092 3.745 ( 12.015 0.000 12.482) 17.326 4.155 ( 14.490 0.000 -11.378) 18.423 4.196 ( 10.562 0.000 -4.448) 11.460 5.473 ( -7.571 0.000 -10.429) 12.888 6.082 ( -13.432 0.000 -2.238) 13.617 ======================= Grid point 688 (335/413) ======================= q-point: (-0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -3.222 0.000 6.563) 7.311 1.049 ( -7.342 0.000 7.037) 10.170 1.239 ( -10.394 0.000 -6.418) 12.216 1.285 ( -3.399 0.000 -5.190) 6.204 2.279 ( -5.613 0.000 5.705) 8.003 2.456 ( 0.325 0.000 5.750) 5.759 3.530 ( 23.956 0.000 15.031) 28.281 3.969 ( 5.750 0.000 12.836) 14.065 4.323 ( 1.278 0.000 -2.496) 2.805 4.344 ( 8.178 0.000 -11.585) 14.181 5.345 ( 0.264 0.000 -12.127) 12.130 5.767 ( -16.820 0.000 -1.360) 16.875 ======================= Grid point 689 (336/413) ======================= q-point: ( 0.00 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -2.432 3.629 7.327) 8.530 1.088 ( 1.091 8.717 7.226) 11.375 1.147 ( 2.298 3.082 -5.986) 7.114 1.295 ( -2.212 6.319 -5.452) 8.634 2.271 ( -1.280 3.813 6.202) 7.392 2.456 ( -0.077 -1.842 4.327) 4.704 3.631 ( 7.674 -27.839 14.607) 32.362 3.957 ( 2.074 -6.109 -0.752) 6.495 4.166 ( -8.226 -7.004 -13.635) 17.397 4.563 ( 5.258 7.164 0.528) 8.902 5.419 ( -7.632 7.618 -1.519) 10.890 5.591 ( 3.371 6.698 -2.652) 7.954 ======================= Grid point 690 (337/413) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 2.566 0.708 7.879) 8.317 1.130 ( 2.348 4.484 -1.581) 5.302 1.283 ( 10.282 7.352 -0.842) 12.668 1.293 ( 3.251 5.368 -0.889) 6.338 2.301 ( 2.013 3.504 6.585) 7.726 2.463 ( -0.206 -1.994 2.524) 3.224 3.460 ( -18.959 -24.296 -1.644) 30.862 3.950 ( -10.575 -10.009 -7.856) 16.544 4.149 ( 9.172 -4.495 4.795) 11.284 4.609 ( 0.142 10.329 -8.039) 13.090 5.258 ( -5.624 10.712 6.274) 13.629 5.762 ( 11.514 1.112 -0.981) 11.609 ======================= Grid point 691 (338/413) ======================= q-point: ( 0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 6.609 -1.481 5.444) 8.690 1.184 ( 3.908 -0.679 -1.660) 4.300 1.372 ( 5.383 4.933 -4.396) 8.523 1.522 ( 11.298 7.469 6.903) 15.202 2.382 ( 2.833 1.476 6.008) 6.805 2.483 ( 2.571 -2.233 0.604) 3.459 3.031 ( -20.539 -22.214 -9.650) 31.756 3.684 ( -13.369 -11.445 -4.810) 18.245 4.207 ( -5.093 10.382 4.133) 12.280 4.510 ( -6.118 15.358 -12.377) 20.652 5.289 ( 5.703 3.303 8.569) 10.810 6.004 ( 11.944 -3.258 1.420) 12.462 ======================= Grid point 692 (339/413) ======================= q-point: ( 0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 4.603 -1.880 -4.633) 6.796 1.334 ( 8.289 -3.293 6.553) 11.068 1.460 ( 4.952 2.728 -4.899) 7.481 1.762 ( 8.827 6.167 12.746) 16.685 2.417 ( -0.630 -5.488 -2.667) 6.134 2.553 ( -5.374 -5.913 2.595) 8.401 2.641 ( -4.612 -13.187 -14.815) 20.363 3.405 ( -12.787 -7.228 -1.287) 14.745 4.012 ( -14.215 20.625 1.111) 25.074 4.308 ( -9.076 19.226 -11.451) 24.148 5.485 ( 9.654 -2.292 7.506) 12.442 6.233 ( 10.089 -4.328 1.948) 11.150 ======================= Grid point 693 (340/413) ======================= q-point: ( 0.31 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 3.574 -4.134 -4.202) 6.893 1.498 ( 5.870 2.875 -1.031) 6.617 1.570 ( 7.809 -5.895 2.032) 9.992 1.944 ( 2.754 3.425 17.397) 17.943 2.195 ( -10.200 -11.056 -18.758) 24.044 2.463 ( 1.069 -6.145 -8.651) 10.666 2.703 ( 3.312 -4.801 -0.152) 5.835 3.183 ( -9.470 3.340 2.849) 10.438 3.678 ( -18.295 24.900 -2.353) 30.988 4.101 ( -7.269 18.351 -9.577) 21.939 5.694 ( 8.466 -3.115 6.282) 10.993 6.415 ( 7.345 -3.592 1.510) 8.315 ======================= Grid point 694 (341/413) ======================= q-point: ( 0.38 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( 0.988 -5.087 -2.432) 5.724 1.599 ( 4.946 -0.038 -0.881) 5.024 1.722 ( 4.746 -9.808 -6.007) 12.442 1.871 ( -5.136 -3.108 -3.212) 6.808 2.154 ( 3.238 3.903 7.450) 9.012 2.454 ( 2.313 -3.675 -11.392) 12.191 2.741 ( 0.898 -1.182 0.089) 1.487 3.033 ( -6.901 10.805 0.926) 12.855 3.294 ( -18.115 26.834 -2.265) 32.455 3.968 ( -2.965 13.373 -7.759) 15.743 5.858 ( 5.765 -2.632 4.874) 7.995 6.536 ( 4.347 -2.392 0.970) 5.056 ======================= Grid point 695 (342/413) ======================= q-point: ( 0.46 0.08 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -1.185 -4.145 1.281) 4.497 1.584 ( -3.448 -3.507 -13.491) 14.360 1.775 ( 6.959 -1.517 -5.287) 8.871 1.866 ( -1.850 -8.494 4.009) 9.573 2.221 ( 1.202 3.325 8.278) 9.001 2.529 ( 7.400 8.393 -4.839) 12.190 2.741 ( -0.557 5.179 -3.663) 6.368 2.854 ( -10.435 9.568 -5.952) 15.358 3.041 ( -4.386 24.556 1.736) 25.005 3.915 ( -0.486 9.069 -5.539) 10.638 5.955 ( 2.519 -2.252 3.078) 4.571 6.596 ( 1.350 -1.577 0.702) 2.191 ======================= Grid point 696 (343/413) ======================= q-point: (-0.46 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -1.764 -2.043 5.568) 6.188 1.486 ( -1.675 -1.276 -10.136) 10.352 1.737 ( -8.335 -1.159 0.460) 8.428 1.925 ( 6.010 -9.823 -1.397) 11.600 2.234 ( -4.670 3.666 6.468) 8.779 2.598 ( 1.302 11.656 -7.710) 14.036 2.700 ( -1.616 11.090 -3.036) 11.611 2.778 ( 5.413 1.353 1.442) 5.763 3.091 ( 8.534 23.041 -2.723) 24.721 3.900 ( 0.758 8.868 -4.181) 9.833 5.978 ( -0.921 -2.370 0.949) 2.714 6.596 ( -1.509 -1.580 0.634) 2.275 ======================= Grid point 697 (344/413) ======================= q-point: (-0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -3.370 -2.697 5.206) 6.763 1.465 ( 0.062 -3.293 4.367) 5.470 1.579 ( -5.672 0.557 0.791) 5.754 1.943 ( -4.536 -2.191 -4.184) 6.549 2.176 ( -0.147 -5.281 9.070) 10.496 2.514 ( -5.090 3.509 -15.824) 16.989 2.744 ( 3.906 -0.853 -0.860) 4.089 2.954 ( 10.304 14.691 6.700) 19.154 3.311 ( 12.976 19.291 -2.498) 23.383 3.938 ( 5.335 14.069 -4.984) 15.851 5.925 ( -4.209 -2.946 -1.380) 5.320 6.541 ( -4.191 -2.451 0.447) 4.875 ======================= Grid point 698 (345/413) ======================= q-point: (-0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -4.959 -3.468 4.373) 7.466 1.401 ( -6.566 3.771 7.528) 10.677 1.581 ( -1.043 -8.478 2.365) 8.863 1.866 ( 1.405 -1.999 7.567) 7.952 2.229 ( 0.576 -4.601 2.770) 5.401 2.340 ( -5.892 -0.929 -7.639) 9.692 2.764 ( -1.651 -4.442 -4.385) 6.456 3.202 ( 12.271 9.359 1.621) 15.517 3.578 ( 13.623 15.576 4.468) 21.170 4.093 ( 11.809 20.669 -7.602) 24.989 5.804 ( -6.823 -3.583 -3.881) 8.629 6.431 ( -6.813 -3.808 -0.157) 7.806 ======================= Grid point 699 (346/413) ======================= q-point: (-0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -5.544 -2.157 5.527) 8.120 1.306 ( -5.583 4.626 7.764) 10.623 1.470 ( -7.044 -5.719 -4.279) 10.031 1.919 ( -7.978 5.250 2.517) 9.877 2.241 ( 8.562 -11.428 6.706) 15.776 2.353 ( 4.197 -7.911 8.295) 12.207 2.658 ( -6.611 -0.766 -1.403) 6.801 3.456 ( 13.893 -3.538 -5.317) 15.291 3.880 ( 13.474 16.018 9.732) 23.083 4.314 ( 11.804 20.448 -8.885) 25.227 5.636 ( -7.674 -3.105 -6.645) 10.615 6.265 ( -9.596 -4.784 -1.141) 10.783 ======================= Grid point 700 (347/413) ======================= q-point: (-0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -4.562 0.005 6.569) 7.997 1.221 ( -5.846 4.813 7.279) 10.504 1.317 ( -6.238 -4.368 -5.137) 9.186 1.671 ( -12.846 9.880 -5.569) 17.136 2.367 ( 1.053 -3.261 6.590) 7.427 2.444 ( -5.483 -0.811 4.999) 7.464 2.742 ( 18.398 -18.402 15.935) 30.514 3.713 ( 13.214 -8.656 -6.088) 16.929 4.161 ( 10.917 12.575 9.277) 19.063 4.458 ( 4.488 13.054 -8.369) 16.142 5.479 ( -4.332 1.154 -9.349) 10.368 6.039 ( -12.460 -3.992 -1.822) 13.210 ======================= Grid point 701 (348/413) ======================= q-point: (-0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -1.796 2.654 6.993) 7.692 1.122 ( -6.015 5.964 6.925) 10.941 1.194 ( -3.952 -0.922 -5.240) 6.628 1.425 ( -8.773 9.881 -6.269) 14.625 2.313 ( -4.871 3.275 4.997) 7.709 2.433 ( 0.617 -2.192 5.705) 6.143 3.223 ( 21.464 -23.759 17.917) 36.691 3.910 ( 6.846 -7.971 -2.390) 10.775 4.338 ( 1.110 -1.301 -7.792) 7.978 4.447 ( 1.082 8.923 2.809) 9.417 5.429 ( 2.657 7.797 -9.768) 12.777 5.764 ( -13.793 0.177 -0.959) 13.828 ======================= Grid point 702 (349/413) ======================= q-point: ( 0.00 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -3.338 6.012 6.022) 9.141 1.223 ( 2.423 4.950 -4.788) 7.301 1.279 ( 4.731 8.099 10.060) 13.754 1.465 ( -4.965 9.820 -7.241) 13.173 2.379 ( -0.652 6.371 4.169) 7.642 2.407 ( 0.126 -2.979 3.617) 4.687 3.040 ( 5.580 -29.218 13.310) 32.588 3.796 ( 2.976 -9.184 -4.298) 10.568 3.974 ( -8.217 -11.695 -12.667) 19.098 4.572 ( 3.854 -5.896 1.073) 7.125 5.613 ( -3.843 10.861 1.039) 11.567 5.776 ( 1.906 10.708 -2.699) 11.207 ======================= Grid point 703 (350/413) ======================= q-point: ( 0.08 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -1.265 3.430 6.764) 7.689 1.231 ( -0.174 5.624 -5.108) 7.599 1.411 ( 3.189 5.829 -3.498) 7.508 1.469 ( 8.440 9.682 7.256) 14.752 2.389 ( -0.854 0.998 3.266) 3.521 2.420 ( 1.408 1.464 2.290) 3.061 2.928 ( -15.300 -26.653 -1.195) 30.756 3.715 ( -10.333 -11.429 -11.151) 19.020 4.025 ( 14.289 -8.817 7.584) 18.424 4.704 ( 7.988 -1.449 -5.730) 9.937 5.515 ( -6.270 13.596 4.883) 15.748 5.826 ( 3.938 5.604 -2.162) 7.183 ======================= Grid point 704 (351/413) ======================= q-point: ( 0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( 3.101 -1.091 7.249) 7.959 1.214 ( 0.994 2.948 -5.733) 6.523 1.474 ( 4.069 4.560 -5.684) 8.346 1.686 ( 8.968 7.987 12.442) 17.292 2.350 ( -3.385 -5.997 -1.471) 7.042 2.486 ( 3.740 2.124 0.311) 4.313 2.578 ( -14.985 -19.196 -8.546) 25.809 3.470 ( -10.151 -8.641 -5.393) 14.380 4.327 ( 10.345 -0.125 8.208) 13.206 4.783 ( 1.817 9.995 -10.416) 14.549 5.424 ( -3.778 10.153 6.300) 12.532 5.934 ( 7.393 -2.658 0.176) 7.859 ======================= Grid point 705 (352/413) ======================= q-point: ( 0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 2.945 -2.674 0.449) 4.003 1.254 ( 5.890 -2.404 0.667) 6.396 1.517 ( 1.891 1.728 -4.163) 4.888 1.895 ( 6.361 6.316 15.961) 18.306 2.185 ( -8.957 -13.301 -14.023) 21.302 2.365 ( -1.676 -7.876 -11.597) 14.118 2.581 ( 3.772 1.453 2.674) 4.846 3.297 ( -5.812 -3.178 -0.269) 6.629 4.419 ( -4.244 16.783 5.094) 18.045 4.710 ( -4.742 18.830 -10.901) 22.269 5.449 ( 4.438 0.091 6.083) 7.531 6.114 ( 9.743 -6.991 1.410) 12.074 ======================= Grid point 706 (353/413) ======================= q-point: ( 0.31 0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 1.884 -2.531 -3.811) 4.948 1.407 ( 7.013 -7.649 3.798) 11.050 1.528 ( 0.521 -2.268 -1.171) 2.605 1.943 ( -2.871 -1.347 -9.208) 9.739 2.113 ( 3.315 1.537 7.635) 8.465 2.350 ( 4.527 -3.388 -11.886) 13.162 2.654 ( 3.075 -0.544 0.135) 3.126 3.229 ( -2.181 1.856 3.297) 4.367 4.225 ( -14.166 27.249 -0.486) 30.715 4.546 ( -7.751 23.632 -7.918) 26.100 5.609 ( 8.326 -4.899 5.211) 10.976 6.310 ( 8.809 -6.659 1.403) 11.131 ======================= Grid point 707 (354/413) ======================= q-point: ( 0.38 0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 1.117 -2.527 -1.453) 3.122 1.529 ( 3.790 -8.974 2.924) 10.171 1.543 ( 1.835 -4.208 -4.519) 6.442 1.882 ( 0.049 2.631 -10.016) 10.356 2.205 ( 3.669 3.186 7.582) 9.006 2.468 ( 9.280 2.022 -5.429) 10.940 2.711 ( 3.115 -0.847 -2.474) 4.067 3.197 ( -3.094 6.331 2.749) 7.564 3.912 ( -15.107 32.021 -1.811) 35.452 4.366 ( -7.160 24.247 -6.947) 26.219 5.780 ( 6.584 -4.945 3.966) 9.139 6.463 ( 5.815 -4.881 1.120) 7.674 ======================= Grid point 708 (355/413) ======================= q-point: ( 0.46 0.15 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.356 -1.356 2.482) 2.851 1.542 ( 0.327 -1.410 -8.161) 8.288 1.605 ( 3.078 -9.736 0.973) 10.257 1.841 ( -1.839 0.932 -5.221) 5.614 2.325 ( 4.686 7.138 7.206) 11.173 2.640 ( 8.069 0.411 -2.389) 8.426 2.755 ( 2.056 0.289 -5.032) 5.444 3.090 ( -7.282 13.090 -1.586) 15.063 3.687 ( -5.529 34.580 0.671) 35.025 4.233 ( -3.345 21.892 -6.002) 22.945 5.887 ( 2.819 -4.451 2.403) 5.791 6.545 ( 1.913 -3.592 0.962) 4.182 ======================= Grid point 709 (356/413) ======================= q-point: (-0.46 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -1.462 -1.237 4.573) 4.958 1.504 ( -1.055 1.590 -8.342) 8.558 1.635 ( -1.175 -8.637 -1.448) 8.836 1.802 ( 0.281 -1.464 -0.434) 1.553 2.364 ( -4.646 9.362 2.332) 10.708 2.679 ( -3.072 -4.680 -1.435) 5.779 2.734 ( -2.465 1.758 -6.411) 7.090 3.062 ( 7.285 17.427 0.672) 18.901 3.687 ( 3.887 32.866 0.598) 33.101 4.213 ( 3.631 21.737 -4.120) 22.420 5.906 ( -1.442 -4.744 0.625) 4.997 6.545 ( -2.160 -3.567 0.904) 4.267 ======================= Grid point 710 (357/413) ======================= q-point: (-0.38 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -3.723 -1.661 3.292) 5.240 1.455 ( -1.578 0.892 -2.979) 3.487 1.565 ( -4.241 -3.268 0.096) 5.355 1.834 ( 1.459 -4.582 -2.314) 5.336 2.180 ( -10.418 5.940 3.078) 12.381 2.610 ( -5.767 3.548 -11.207) 13.094 2.660 ( 0.048 -5.187 1.536) 5.410 3.236 ( 7.059 11.205 -1.351) 13.312 3.820 ( 8.659 29.904 5.636) 31.639 4.350 ( 10.741 24.829 -4.561) 27.435 5.836 ( -5.265 -5.862 -1.272) 7.982 6.467 ( -5.838 -4.868 0.729) 7.636 ======================= Grid point 711 (358/413) ======================= q-point: (-0.31 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -4.402 -1.623 3.303) 5.737 1.416 ( -2.824 -3.303 2.237) 4.887 1.492 ( -3.428 -0.237 1.866) 3.910 1.794 ( -2.789 -2.002 -0.548) 3.477 2.105 ( 0.879 -4.949 7.037) 8.648 2.421 ( -8.685 5.942 -10.968) 15.199 2.671 ( 0.315 -4.532 -2.081) 4.997 3.313 ( 3.081 4.403 -5.631) 7.784 4.063 ( 11.433 27.812 11.933) 32.352 4.565 ( 11.442 24.302 -6.723) 27.690 5.699 ( -7.146 -6.672 -3.188) 10.283 6.322 ( -8.582 -6.813 0.240) 10.960 ======================= Grid point 712 (359/413) ======================= q-point: (-0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -3.667 -0.718 5.695) 6.812 1.344 ( -4.378 -4.495 -1.407) 6.431 1.413 ( -5.252 3.781 4.134) 7.679 1.847 ( 5.694 -9.902 12.705) 17.085 2.167 ( -1.364 -0.739 -1.804) 2.379 2.227 ( -2.393 -0.077 -3.444) 4.195 2.640 ( -2.875 -1.081 -1.752) 3.537 3.376 ( 6.506 -2.073 -8.367) 10.799 4.311 ( 7.904 22.150 13.040) 26.891 4.707 ( 3.920 16.746 -8.164) 19.038 5.565 ( -3.582 -2.896 -4.890) 6.718 6.135 ( -9.727 -7.618 -0.484) 12.364 ======================= Grid point 713 (360/413) ======================= q-point: (-0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -1.659 2.006 7.270) 7.722 1.251 ( -3.035 -2.187 -5.373) 6.547 1.330 ( -5.234 5.630 7.701) 10.881 1.861 ( -9.370 6.836 -1.731) 11.728 2.215 ( 11.163 -13.347 9.121) 19.646 2.310 ( 5.112 -7.623 5.596) 10.750 2.566 ( -2.931 1.059 2.031) 3.720 3.524 ( 11.038 -7.918 -9.858) 16.784 4.419 ( -2.355 8.025 5.949) 10.263 4.655 ( -4.910 6.493 -4.409) 9.258 5.552 ( 3.660 6.669 -5.818) 9.577 5.946 ( -8.517 -4.261 -0.765) 9.554 ======================= Grid point 714 (361/413) ======================= q-point: (-0.08 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 1.015 5.422 7.331) 9.175 1.204 ( 0.475 1.815 -5.799) 6.095 1.254 ( -4.620 6.385 8.803) 11.816 1.641 ( -9.600 10.625 -6.365) 15.671 2.361 ( 2.183 -2.557 5.196) 6.189 2.403 ( -1.242 1.410 3.987) 4.407 2.722 ( 15.632 -22.561 15.804) 31.672 3.713 ( 9.440 -10.026 -8.295) 16.076 4.232 ( -12.327 -9.015 -10.817) 18.715 4.572 ( -3.711 1.487 5.424) 6.738 5.621 ( 3.712 10.224 -4.952) 11.951 5.806 ( -4.804 4.671 -0.224) 6.705 ======================= Grid point 715 (362/413) ======================= q-point: ( 0.00 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -4.276 6.522 4.062) 8.793 1.327 ( 4.186 5.186 -3.847) 7.696 1.412 ( 5.059 5.309 10.984) 13.207 1.647 ( -6.387 7.076 -3.485) 10.149 2.332 ( 0.071 -5.394 1.852) 5.704 2.412 ( 5.968 -13.327 1.808) 14.714 2.601 ( -0.300 -2.256 6.274) 6.674 3.609 ( 1.283 -9.809 -1.725) 10.042 3.707 ( -6.069 -13.537 -13.972) 20.379 4.362 ( 2.218 -13.957 0.589) 14.144 5.834 ( -1.429 10.627 2.313) 10.969 5.990 ( 1.005 9.913 -1.992) 10.161 ======================= Grid point 716 (363/413) ======================= q-point: ( 0.08 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -4.251 4.689 4.693) 7.880 1.355 ( -0.969 6.574 -5.118) 8.387 1.509 ( 1.998 3.312 -3.838) 5.449 1.639 ( 5.526 6.770 12.958) 15.630 2.293 ( -4.688 -9.136 -0.569) 10.284 2.418 ( -3.815 -14.081 -10.299) 17.858 2.574 ( -1.753 3.526 4.370) 5.883 3.517 ( -8.844 -8.090 -7.125) 13.944 3.796 ( 16.616 -13.339 6.113) 22.167 4.562 ( 15.423 -11.717 -3.715) 19.722 5.780 ( -4.972 12.255 3.758) 13.749 5.976 ( -1.385 8.397 -2.629) 8.907 ======================= Grid point 717 (364/413) ======================= q-point: ( 0.15 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -1.048 1.444 5.265) 5.559 1.294 ( -1.719 4.921 -6.525) 8.351 1.529 ( 0.546 0.143 -3.107) 3.158 1.829 ( 7.099 6.023 16.290) 18.763 2.133 ( -7.151 -12.243 -11.726) 18.399 2.299 ( -2.484 -6.781 -11.774) 13.812 2.592 ( 1.406 4.945 2.336) 5.647 3.347 ( -6.107 -3.749 -1.073) 7.246 4.213 ( 20.246 -10.021 8.888) 24.276 4.859 ( 14.093 -3.090 -6.952) 16.016 5.669 ( -7.126 13.041 4.338) 15.481 5.938 ( -0.599 3.553 -1.924) 4.084 ======================= Grid point 718 (365/413) ======================= q-point: ( 0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 2.240 -2.007 5.113) 5.932 1.261 ( 0.720 2.038 -6.249) 6.613 1.495 ( -2.686 -3.742 -1.044) 4.723 1.972 ( 0.823 -0.646 -5.144) 5.249 2.048 ( 3.780 2.038 6.801) 8.043 2.250 ( 2.633 -3.044 -13.177) 13.779 2.628 ( 1.763 2.675 -0.179) 3.209 3.272 ( -1.786 0.536 3.288) 3.780 4.597 ( 13.132 0.098 8.833) 15.826 5.016 ( 3.883 10.254 -10.277) 15.028 5.548 ( -5.253 9.921 3.320) 11.706 5.982 ( 5.848 -4.905 0.399) 7.644 ======================= Grid point 719 (366/413) ======================= q-point: ( 0.31 0.23 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 2.271 -1.633 0.775) 2.903 1.291 ( 3.607 -2.643 -0.504) 4.500 1.455 ( -0.386 -3.599 -0.731) 3.693 1.946 ( 0.351 -0.152 -10.641) 10.648 2.169 ( 4.329 4.351 9.809) 11.571 2.336 ( 8.716 1.752 -8.019) 11.972 2.663 ( 2.234 0.812 -2.370) 3.356 3.289 ( 1.741 4.829 5.102) 7.237 4.710 ( -4.870 18.772 3.622) 19.729 4.985 ( -2.474 18.205 -7.774) 19.949 5.534 ( 3.663 -0.741 1.953) 4.217 6.154 ( 9.719 -8.449 1.447) 12.959 ======================= Grid point 720 (367/413) ======================= q-point: ( 0.38 0.23 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( 1.947 0.772 1.056) 2.345 1.373 ( 3.571 -5.679 2.420) 7.131 1.472 ( 2.229 -2.944 -2.440) 4.426 1.904 ( -1.348 -0.916 -7.955) 8.120 2.298 ( 4.206 2.618 10.997) 12.061 2.508 ( 10.975 5.272 -6.644) 13.871 2.704 ( 2.785 -0.412 -2.941) 4.072 3.358 ( 2.951 10.624 2.687) 11.349 4.524 ( -11.136 27.517 -0.272) 29.687 4.868 ( -6.432 23.859 -5.353) 25.284 5.665 ( 6.972 -6.054 1.699) 9.389 6.338 ( 7.496 -7.438 1.404) 10.653 ======================= Grid point 721 (368/413) ======================= q-point: ( 0.46 0.23 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 0.211 1.272 3.698) 3.916 1.443 ( 2.650 -6.150 1.385) 6.838 1.507 ( 1.935 -2.146 -4.238) 5.129 1.840 ( -2.614 -1.402 -4.788) 5.632 2.392 ( 1.950 -3.454 8.722) 9.581 2.681 ( 4.400 -1.737 -2.176) 5.207 2.769 ( 5.731 10.340 -3.609) 12.361 3.389 ( 0.153 16.467 -3.333) 16.801 4.354 ( -4.790 30.259 1.595) 30.677 4.729 ( -4.476 25.265 -4.846) 26.112 5.777 ( 3.134 -6.357 0.983) 7.155 6.447 ( 2.626 -6.197 1.260) 6.848 ======================= Grid point 722 (369/413) ======================= q-point: (-0.46 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -2.248 0.449 4.792) 5.312 1.475 ( 0.072 -6.155 -1.623) 6.365 1.512 ( 0.214 -0.919 -4.941) 5.030 1.785 ( -1.487 -1.410 0.229) 2.062 2.449 ( 1.677 -4.967 4.194) 6.714 2.673 ( -4.368 -4.514 -1.044) 6.367 2.774 ( -5.318 15.535 -5.467) 17.306 3.410 ( 4.591 17.338 -5.115) 18.651 4.335 ( 1.151 29.864 2.893) 30.026 4.709 ( 4.565 25.367 -2.585) 25.903 5.787 ( -2.334 -6.996 -0.007) 7.375 6.448 ( -2.852 -6.097 1.115) 6.823 ======================= Grid point 723 (370/413) ======================= q-point: (-0.38 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( -4.114 -0.228 4.617) 6.188 1.427 ( -3.232 -4.682 -4.507) 7.257 1.492 ( -0.646 -1.166 -3.195) 3.462 1.790 ( 1.111 -1.441 2.873) 3.401 2.401 ( -13.318 12.423 -2.870) 18.438 2.530 ( -0.305 -4.879 -1.883) 5.239 2.660 ( -4.502 1.770 -1.797) 5.160 3.468 ( 1.806 12.786 -7.790) 15.080 4.423 ( 6.133 28.025 7.470) 29.645 4.864 ( 10.124 24.633 -3.122) 26.815 5.690 ( -6.838 -8.601 -0.726) 11.012 6.345 ( -7.578 -7.166 0.839) 10.464 ======================= Grid point 724 (371/413) ======================= q-point: (-0.31 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -4.246 0.004 4.582) 6.247 1.340 ( -3.520 -4.023 -4.160) 6.773 1.470 ( -0.572 -0.838 -1.231) 1.595 1.820 ( -0.170 1.361 0.782) 1.579 2.117 ( -10.658 8.294 2.013) 13.654 2.496 ( -4.238 -0.104 -10.552) 11.372 2.601 ( -0.192 -1.265 3.451) 3.680 3.434 ( -1.274 8.012 -9.302) 12.343 4.597 ( 6.362 23.580 11.115) 26.834 5.012 ( 3.712 17.831 -6.847) 19.458 5.555 ( -4.133 -6.190 -0.221) 7.446 6.166 ( -9.866 -8.273 0.381) 12.881 ======================= Grid point 725 (372/413) ======================= q-point: (-0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.114 ( -1.994 1.185 6.377) 6.786 1.266 ( -2.258 -2.801 -4.629) 5.863 1.464 ( -0.544 0.433 2.244) 2.349 1.761 ( -3.746 3.298 4.458) 6.692 2.068 ( 2.630 -4.235 4.701) 6.852 2.333 ( -7.184 4.883 -11.481) 14.396 2.619 ( 0.375 -0.745 0.793) 1.151 3.391 ( 0.781 3.447 -8.631) 9.327 4.670 ( -5.176 10.585 7.131) 13.772 4.912 ( -8.581 3.164 -5.565) 10.706 5.592 ( 6.639 6.812 -0.825) 9.548 5.986 ( -7.173 -6.132 0.209) 9.439 ======================= Grid point 726 (373/413) ======================= q-point: (-0.15 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 1.412 3.458 8.275) 9.079 1.228 ( 0.476 -0.116 -4.912) 4.936 1.437 ( -3.745 4.502 5.926) 8.331 1.799 ( 3.812 -8.176 11.795) 14.849 2.127 ( -2.318 1.472 -5.164) 5.849 2.200 ( 2.596 -2.391 -3.261) 4.805 2.613 ( -1.168 2.436 0.808) 2.819 3.424 ( 5.635 -1.769 -8.314) 10.198 4.396 ( -18.889 -9.092 -6.082) 21.827 4.728 ( -10.970 -0.525 3.140) 11.423 5.733 ( 6.569 10.113 -1.549) 12.158 5.912 ( -0.297 1.801 0.649) 1.937 ======================= Grid point 727 (374/413) ======================= q-point: (-0.08 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 3.557 5.597 6.912) 9.579 1.256 ( 3.693 3.365 -3.376) 6.030 1.372 ( -4.369 5.261 8.148) 10.638 1.805 ( -6.882 3.611 0.029) 7.772 2.192 ( 11.290 -14.485 4.295) 18.861 2.288 ( 3.591 -4.752 1.993) 6.281 2.591 ( -1.123 4.239 2.860) 5.235 3.544 ( 7.831 -6.110 -7.618) 12.518 3.983 ( -17.373 -15.415 -11.476) 25.907 4.488 ( -12.427 -9.297 2.883) 15.785 5.820 ( 2.374 9.461 0.342) 9.760 5.951 ( 2.961 8.686 -0.629) 9.199 ======================= Grid point 728 (375/413) ======================= q-point: ( 0.00 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -3.066 4.176 1.533) 5.402 1.411 ( 2.803 1.967 -0.638) 3.483 1.507 ( 5.785 4.640 9.622) 12.148 1.725 ( -5.920 1.471 6.301) 8.770 2.102 ( 3.048 -7.068 -8.075) 11.156 2.251 ( 2.976 -5.714 -5.446) 8.436 2.674 ( -0.508 3.149 2.054) 3.794 3.304 ( -5.345 -19.115 -2.463) 20.000 3.543 ( 0.725 -3.545 -9.388) 10.061 4.046 ( 1.070 -16.374 0.198) 16.410 6.033 ( -0.472 8.861 2.919) 9.341 6.164 ( 0.680 7.143 -1.261) 7.285 ======================= Grid point 729 (376/413) ======================= q-point: ( 0.08 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -5.520 4.311 1.939) 7.268 1.474 ( 1.576 1.856 -1.282) 2.752 1.532 ( -4.369 1.790 -3.841) 6.087 1.749 ( 5.435 4.882 16.443) 17.993 2.068 ( -2.166 -6.548 -11.351) 13.282 2.249 ( -0.225 -5.654 -11.221) 12.567 2.670 ( -0.295 3.259 1.766) 3.718 3.336 ( 0.131 -12.932 3.897) 13.507 3.554 ( 11.297 -7.258 -1.333) 13.494 4.272 ( 18.686 -16.058 -2.686) 24.783 6.004 ( -3.412 9.814 2.993) 10.813 6.138 ( -2.589 7.162 -2.228) 7.935 ======================= Grid point 730 (377/413) ======================= q-point: ( 0.15 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -2.986 3.353 2.573) 5.175 1.410 ( -3.779 6.386 -7.046) 10.233 1.471 ( -2.869 -4.655 1.068) 5.571 1.917 ( 4.793 1.527 5.346) 7.340 2.022 ( 2.298 2.498 -1.677) 3.786 2.207 ( 1.893 -2.137 -14.652) 14.928 2.670 ( -0.107 2.268 0.101) 2.272 3.296 ( -2.457 -2.358 4.978) 6.031 3.971 ( 24.494 -12.417 6.061) 28.122 4.685 ( 22.299 -12.796 -4.379) 26.079 5.919 ( -6.033 11.176 2.941) 13.036 6.053 ( -4.549 6.721 -2.919) 8.625 ======================= Grid point 731 (378/413) ======================= q-point: ( 0.23 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( 0.100 2.024 3.922) 4.414 1.327 ( -1.739 4.459 -7.247) 8.684 1.419 ( -2.018 -2.669 1.746) 3.774 1.941 ( 0.272 -2.460 -7.452) 7.852 2.141 ( 4.301 5.581 12.184) 14.075 2.269 ( 9.420 5.592 -13.461) 17.355 2.665 ( -0.085 0.472 -1.594) 1.665 3.310 ( 2.042 2.645 7.256) 7.988 4.484 ( 23.028 -8.952 7.446) 25.805 5.076 ( 17.044 -4.460 -7.027) 18.967 5.788 ( -7.579 12.086 1.801) 14.379 5.962 ( -2.615 3.071 -1.738) 4.391 ======================= Grid point 732 (379/413) ======================= q-point: ( 0.31 0.31 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 2.213 0.281 4.356) 4.894 1.301 ( 1.083 2.694 -4.101) 5.025 1.407 ( 0.002 -1.201 1.587) 1.990 1.907 ( -1.016 -3.478 -7.053) 7.929 2.236 ( 0.914 1.355 11.262) 11.380 2.464 ( 12.558 10.494 -8.832) 18.597 2.667 ( 1.720 0.320 -1.259) 2.155 3.430 ( 7.237 8.463 6.850) 13.073 4.894 ( 13.439 -0.347 8.084) 15.687 5.254 ( 3.973 8.564 -10.180) 13.884 5.645 ( -6.204 10.453 -1.316) 12.226 5.994 ( 6.306 -6.315 1.490) 9.048 ======================= Grid point 733 (380/413) ======================= q-point: ( 0.38 0.31 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 3.352 -0.522 4.253) 5.440 1.326 ( 1.441 1.172 -0.054) 1.858 1.425 ( 1.597 -1.721 -0.504) 2.401 1.852 ( -2.250 -4.160 -6.196) 7.795 2.265 ( -1.051 -3.269 9.784) 10.369 2.571 ( 0.262 -3.966 -3.020) 4.992 2.843 ( 15.186 16.797 -0.480) 22.649 3.615 ( 8.319 13.662 2.795) 16.238 4.982 ( -5.234 16.627 3.624) 17.804 5.274 ( 0.160 14.721 -5.209) 15.616 5.574 ( 1.571 -0.751 -3.329) 3.757 6.166 ( 8.330 -9.427 1.865) 12.717 ======================= Grid point 734 (381/413) ======================= q-point: ( 0.46 0.31 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -0.480 2.092 4.803) 5.261 1.355 ( 2.306 -2.698 1.912) 4.031 1.463 ( 2.461 -1.983 -3.186) 4.488 1.779 ( -2.958 -4.683 -4.018) 6.843 2.281 ( -0.052 -5.539 7.405) 9.247 2.546 ( -1.513 -8.409 -0.032) 8.544 3.135 ( 11.632 21.269 -0.171) 24.242 3.735 ( 3.259 17.040 -3.510) 17.700 4.877 ( -4.196 20.958 3.658) 21.685 5.199 ( -3.781 20.466 -3.754) 21.148 5.638 ( 3.025 -6.981 -2.027) 7.873 6.293 ( 3.291 -8.914 1.400) 9.605 ======================= Grid point 735 (382/413) ======================= q-point: (-0.46 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -3.252 1.094 5.498) 6.480 1.388 ( -0.114 -2.522 -0.448) 2.564 1.489 ( 1.192 -1.104 -4.149) 4.456 1.727 ( -1.046 -4.438 0.422) 4.579 2.319 ( 1.830 -6.189 4.232) 7.718 2.522 ( -1.138 -8.653 1.770) 8.905 3.199 ( -5.718 23.289 -6.077) 24.738 3.763 ( 2.379 17.240 -6.078) 18.434 4.855 ( -0.051 21.055 5.007) 21.642 5.181 ( 3.834 20.391 -1.044) 20.774 5.629 ( -3.672 -8.284 -1.528) 9.189 6.298 ( -3.160 -8.650 0.937) 9.257 ======================= Grid point 736 (383/413) ======================= q-point: (-0.38 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -4.293 1.118 5.742) 7.256 1.349 ( -2.623 -2.179 -3.197) 4.674 1.485 ( 0.077 -0.046 -3.707) 3.708 1.742 ( 1.397 -3.553 3.727) 5.336 2.376 ( 2.575 -5.740 0.435) 6.306 2.506 ( -1.501 -4.528 2.562) 5.415 2.929 ( -15.666 22.552 -9.406) 29.026 3.751 ( -1.921 14.569 -9.646) 17.578 4.908 ( 2.941 19.354 8.131) 21.197 5.304 ( 5.465 17.801 -4.254) 19.100 5.498 ( -6.818 -9.465 2.494) 11.929 6.182 ( -8.155 -8.653 0.362) 11.896 ======================= Grid point 737 (384/413) ======================= q-point: (-0.31 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -3.358 2.249 6.011) 7.244 1.283 ( -2.333 -0.977 -3.739) 4.514 1.474 ( 0.058 0.763 -2.819) 2.921 1.795 ( 2.606 -3.033 3.288) 5.177 2.358 ( -8.065 6.502 -2.340) 10.621 2.469 ( -1.480 1.934 -4.772) 5.358 2.635 ( -7.521 7.330 -1.152) 10.565 3.632 ( -5.062 11.051 -12.203) 17.224 4.962 ( -4.241 10.533 7.353) 13.528 5.138 ( -13.313 -4.733 -4.824) 14.930 5.590 ( 9.521 10.242 3.704) 14.466 6.010 ( -7.789 -6.419 0.122) 10.094 ======================= Grid point 738 (385/413) ======================= q-point: (-0.23 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.163 ( -0.522 3.759 7.023) 7.983 1.239 ( -0.653 0.491 -3.437) 3.533 1.471 ( 0.512 0.823 -1.881) 2.116 1.857 ( 1.728 0.348 0.451) 1.820 2.105 ( -11.004 11.678 -0.299) 16.048 2.391 ( -4.087 1.578 -9.734) 10.675 2.611 ( 1.226 -0.325 3.563) 3.782 3.502 ( -3.244 6.980 -11.177) 13.571 4.637 ( -22.955 -11.160 -5.700) 26.153 4.932 ( -12.802 -2.040 5.219) 13.974 5.789 ( 8.577 10.532 1.673) 13.685 5.930 ( 0.265 1.072 1.532) 1.889 ======================= Grid point 739 (386/413) ======================= q-point: (-0.15 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 2.605 3.386 4.364) 6.107 1.245 ( 2.213 2.507 1.794) 3.794 1.481 ( 0.450 0.337 0.288) 0.632 1.797 ( -5.363 8.443 3.117) 10.477 2.061 ( 3.872 -4.550 2.129) 6.342 2.251 ( -5.407 3.662 -12.753) 14.328 2.649 ( 1.174 0.917 2.206) 2.662 3.443 ( 0.972 2.929 -8.671) 9.204 4.120 ( -25.316 -16.977 -7.588) 31.411 4.611 ( -19.210 -10.363 2.046) 21.923 5.924 ( 4.540 8.584 2.562) 10.043 6.012 ( 5.910 6.857 0.878) 9.095 ======================= Grid point 740 (387/413) ======================= q-point: (-0.08 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 4.933 1.136 -1.756) 5.357 1.350 ( 5.170 5.300 10.616) 12.943 1.461 ( -3.312 2.830 2.803) 5.180 1.769 ( -0.623 -0.977 8.480) 8.559 2.098 ( -1.803 2.181 -8.484) 8.944 2.183 ( 4.941 -5.690 -5.766) 9.489 2.670 ( 0.238 2.433 1.774) 3.020 3.477 ( 3.679 -0.600 -4.908) 6.163 3.620 ( -19.231 -20.261 -11.218) 30.103 4.237 ( -16.846 -14.409 0.514) 22.173 6.003 ( 2.307 8.482 2.987) 9.284 6.118 ( 4.067 7.336 -0.335) 8.395 ======================= Grid point 741 (388/413) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 3.075 -1.870 2.128) 4.181 1.416 ( -4.163 0.038 -0.870) 4.253 1.622 ( 5.751 6.738 5.315) 10.330 1.811 ( -3.533 7.763 4.523) 9.655 2.097 ( -1.320 3.432 -6.101) 7.123 2.126 ( 5.132 -5.179 -14.451) 16.186 2.662 ( -0.621 -5.110 1.201) 5.286 2.895 ( -4.019 -20.569 -3.821) 21.304 3.513 ( 0.335 -0.045 -4.543) 4.555 3.749 ( 0.174 -11.884 -0.085) 11.886 6.187 ( -0.034 6.322 2.822) 6.923 6.274 ( 0.517 3.774 -0.352) 3.825 ======================= Grid point 742 (389/413) ======================= q-point: ( 0.08 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -4.870 1.566 -1.433) 5.313 1.406 ( -0.404 -3.496 4.562) 5.761 1.655 ( -2.796 6.958 -5.484) 9.290 1.850 ( 4.393 4.379 5.627) 8.375 2.072 ( 1.474 5.583 -2.827) 6.429 2.161 ( 4.305 -1.798 -15.478) 16.165 2.667 ( 0.500 -4.154 1.522) 4.453 2.992 ( 10.107 -18.928 5.104) 22.056 3.514 ( 4.817 1.451 -1.808) 5.346 3.955 ( 18.049 -14.355 -1.876) 23.138 6.172 ( -2.342 6.742 2.176) 7.462 6.253 ( -2.309 4.127 -1.394) 4.931 ======================= Grid point 743 (390/413) ======================= q-point: ( 0.15 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -2.469 3.140 0.995) 4.117 1.396 ( -1.701 -2.415 5.042) 5.844 1.548 ( -4.507 6.962 -8.542) 11.906 1.897 ( 0.102 -3.008 -4.228) 5.190 2.162 ( 5.191 9.365 7.730) 13.206 2.251 ( 10.368 7.370 -13.091) 18.253 2.667 ( -0.886 -2.736 -0.010) 2.876 3.178 ( 5.041 -11.061 10.111) 15.811 3.799 ( 23.105 -2.531 0.352) 23.246 4.390 ( 24.979 -15.410 -3.037) 29.507 6.108 ( -4.637 7.454 1.606) 8.924 6.175 ( -4.668 4.843 -2.412) 7.146 ======================= Grid point 744 (391/413) ======================= q-point: ( 0.23 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -0.770 3.689 3.646) 5.244 1.385 ( -1.101 -1.090 5.180) 5.407 1.442 ( -2.814 6.512 -7.886) 10.607 1.863 ( -1.219 -5.154 -6.309) 8.237 2.262 ( 1.141 6.522 8.189) 10.531 2.472 ( 13.629 13.299 -6.957) 20.273 2.642 ( -0.323 -2.164 -0.240) 2.201 3.330 ( 7.823 -2.490 10.873) 13.625 4.327 ( 26.898 -4.223 2.178) 27.314 4.885 ( 24.483 -12.901 -4.508) 28.039 5.997 ( -6.763 8.256 0.706) 10.695 6.058 ( -5.854 5.002 -2.705) 8.161 ======================= Grid point 745 (392/413) ======================= q-point: ( 0.31 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 0.508 2.792 4.678) 5.471 1.377 ( -1.089 2.916 1.553) 3.479 1.396 ( 0.132 1.448 -2.407) 2.812 1.810 ( -1.928 -6.040 -6.181) 8.855 2.264 ( -3.092 2.200 8.040) 8.891 2.536 ( -2.925 -3.534 -2.434) 5.193 2.852 ( 17.859 17.245 1.533) 24.874 3.573 ( 12.304 3.663 9.188) 15.787 4.832 ( 21.547 -2.371 3.274) 21.923 5.286 ( 15.955 -5.712 -7.554) 18.554 5.853 ( -7.332 8.647 -1.454) 11.430 5.946 ( -3.542 1.458 -0.269) 3.840 ======================= Grid point 746 (393/413) ======================= q-point: ( 0.38 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 1.940 1.101 4.599) 5.112 1.369 ( -0.730 1.829 3.093) 3.666 1.404 ( 1.493 0.244 -2.584) 2.994 1.741 ( -2.984 -6.561 -5.317) 8.957 2.222 ( -3.277 -0.563 7.654) 8.345 2.454 ( -4.226 -6.455 -0.416) 7.726 3.234 ( 18.291 20.310 4.132) 27.643 3.849 ( 11.776 7.797 5.071) 15.006 5.160 ( 7.604 2.875 5.819) 9.997 5.440 ( 5.437 3.603 -10.577) 12.427 5.691 ( -7.914 8.742 -3.708) 12.361 5.979 ( 5.804 -8.016 2.229) 10.144 ======================= Grid point 747 (394/413) ======================= q-point: ( 0.46 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 2.003 -0.410 2.994) 3.626 1.358 ( -1.831 0.647 5.882) 6.194 1.438 ( 2.742 -0.177 -4.004) 4.856 1.661 ( -3.081 -6.493 -3.793) 8.126 2.201 ( -1.132 -2.159 6.812) 7.235 2.380 ( -2.992 -7.518 1.326) 8.199 3.568 ( 12.338 20.775 2.772) 24.321 4.037 ( 5.597 11.458 -1.456) 12.835 5.185 ( -3.229 9.674 6.934) 12.333 5.516 ( -2.686 -2.844 -5.714) 6.925 5.545 ( 1.362 12.092 -4.536) 12.987 6.096 ( 3.692 -10.117 0.983) 10.815 ======================= Grid point 748 (395/413) ======================= q-point: (-0.46 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -2.684 0.936 4.905) 5.669 1.364 ( -0.198 -0.157 1.282) 1.307 1.473 ( 1.825 -0.514 -4.055) 4.476 1.616 ( -0.149 -6.077 -0.181) 6.081 2.224 ( 1.333 -3.042 4.980) 5.986 2.354 ( -0.185 -7.387 3.200) 8.053 3.664 ( -3.889 21.907 -5.754) 22.981 4.079 ( 0.886 12.930 -5.727) 14.169 5.169 ( -1.097 9.840 8.855) 13.283 5.425 ( -3.734 -3.637 2.415) 5.745 5.564 ( 0.794 10.074 -6.316) 11.917 6.109 ( -2.526 -9.644 -0.174) 9.971 ======================= Grid point 749 (396/413) ======================= q-point: (-0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.830 2.782 5.710) 6.954 1.340 ( -1.660 0.970 -1.948) 2.737 1.484 ( 0.915 -0.225 -3.909) 4.020 1.648 ( 2.281 -5.497 2.905) 6.623 2.282 ( 2.951 -3.207 2.459) 5.003 2.392 ( 2.311 -5.846 4.616) 7.799 3.411 ( -15.977 23.852 -12.271) 31.222 4.019 ( -4.689 10.549 -10.642) 15.701 5.183 ( -1.934 7.361 9.625) 12.271 5.271 ( -13.326 -9.233 0.725) 16.228 5.631 ( 7.103 11.763 0.620) 13.755 6.014 ( -5.663 -7.338 -0.978) 9.320 ======================= Grid point 750 (397/413) ======================= q-point: (-0.31 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -1.672 4.857 6.496) 8.281 1.302 ( -1.122 2.408 -2.430) 3.601 1.488 ( 0.814 0.439 -3.625) 3.741 1.711 ( 2.993 -5.191 2.741) 6.589 2.346 ( 2.380 -1.681 0.552) 2.965 2.466 ( 3.281 -3.111 4.037) 6.062 3.003 ( -19.294 23.723 -12.968) 33.215 3.835 ( -8.187 7.191 -15.107) 18.627 4.896 ( -22.402 -9.291 -2.279) 24.359 5.105 ( -11.498 -2.762 9.109) 14.927 5.803 ( 8.600 8.863 2.911) 12.688 5.938 ( -0.493 -0.525 0.632) 0.958 ======================= Grid point 751 (398/413) ======================= q-point: (-0.23 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -0.315 5.055 4.460) 6.749 1.287 ( 0.428 4.130 1.451) 4.398 1.491 ( 0.822 1.099 -3.766) 4.008 1.790 ( 4.398 -5.273 0.674) 6.899 2.353 ( -2.620 4.664 -1.836) 5.656 2.510 ( -4.703 9.731 -5.658) 12.199 2.622 ( -8.784 7.738 -2.002) 11.876 3.624 ( -6.713 2.683 -16.480) 17.996 4.376 ( -28.063 -11.273 -2.248) 30.326 4.792 ( -20.797 -10.855 3.961) 23.792 5.968 ( 5.955 6.798 3.497) 9.690 6.003 ( 5.898 4.812 2.484) 8.007 ======================= Grid point 752 (399/413) ======================= q-point: (-0.15 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 0.818 3.205 -1.207) 3.521 1.341 ( 2.653 5.186 9.112) 10.816 1.496 ( 1.006 1.765 -3.743) 4.259 1.893 ( 6.011 -4.999 -2.172) 8.114 2.148 ( -13.340 17.629 -4.206) 22.504 2.331 ( -5.224 4.976 -7.751) 10.589 2.638 ( 1.884 -2.254 2.787) 4.049 3.465 ( -4.200 -6.185 -16.783) 18.373 3.800 ( -27.080 -9.041 0.146) 28.550 4.355 ( -22.303 -13.936 0.149) 26.299 6.077 ( 4.021 6.390 4.134) 8.607 6.138 ( 5.830 4.891 1.571) 7.770 ======================= Grid point 753 (400/413) ======================= q-point: (-0.08 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 2.913 1.234 -1.116) 3.355 1.435 ( 2.195 0.973 8.516) 8.848 1.512 ( 2.275 5.400 -0.635) 5.894 1.907 ( -7.148 13.209 0.802) 15.041 2.029 ( 5.830 -8.002 -3.584) 10.530 2.197 ( -4.457 5.815 -11.691) 13.797 2.666 ( 0.104 -3.182 1.461) 3.503 3.178 ( -18.570 -23.054 -10.969) 31.570 3.506 ( -1.576 3.046 -2.633) 4.324 3.948 ( -16.847 -13.227 -1.147) 21.450 6.154 ( 2.192 6.268 3.568) 7.538 6.235 ( 3.366 4.065 0.640) 5.316 ======================= Grid point 754 (401/413) ======================= q-point: ( 0.00 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.140 1.350 -0.233) 1.377 1.397 ( -2.063 -1.806 -0.087) 2.744 1.769 ( 4.805 7.560 -2.495) 9.299 1.907 ( 0.176 -4.190 -5.508) 6.923 2.110 ( 0.989 10.809 -0.596) 10.870 2.249 ( -1.319 8.365 -9.351) 12.616 2.451 ( -3.361 -14.275 2.314) 14.847 2.528 ( 0.718 -14.043 -5.253) 15.011 3.528 ( -0.196 1.531 -1.998) 2.524 3.585 ( -0.228 -4.702 -0.676) 4.755 6.284 ( 0.216 3.229 2.027) 3.818 6.315 ( 0.381 0.224 0.828) 0.938 ======================= Grid point 755 (402/413) ======================= q-point: ( 0.08 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -2.426 1.209 -0.104) 2.713 1.363 ( -1.446 -1.604 4.183) 4.708 1.781 ( -1.923 5.456 -8.507) 10.288 1.870 ( -1.302 -2.712 -6.276) 6.960 2.211 ( 7.557 9.201 1.190) 11.966 2.278 ( 7.156 9.961 -5.119) 13.290 2.507 ( 5.028 -9.284 3.077) 10.998 2.629 ( 9.784 -15.964 -0.438) 18.728 3.580 ( 7.589 4.900 -0.694) 9.060 3.717 ( 13.191 -9.036 -1.013) 16.021 6.273 ( -1.879 3.221 1.058) 3.876 6.300 ( -1.926 0.505 -0.232) 2.005 ======================= Grid point 756 (403/413) ======================= q-point: ( 0.15 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -1.423 3.019 3.076) 4.539 1.353 ( -1.262 -2.313 5.631) 6.217 1.685 ( -3.673 6.540 -9.247) 11.907 1.808 ( -2.182 -5.480 -7.570) 9.597 2.363 ( 4.961 10.071 3.522) 11.766 2.485 ( 13.672 10.764 -0.637) 17.412 2.575 ( 0.917 -2.372 0.507) 2.593 2.866 ( 11.863 -17.957 6.757) 22.557 3.869 ( 21.466 8.185 -1.343) 23.013 4.093 ( 23.912 -13.414 -2.045) 27.494 6.216 ( -4.008 3.180 0.182) 5.120 6.237 ( -4.131 1.090 -1.237) 4.448 ======================= Grid point 757 (404/413) ======================= q-point: ( 0.23 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -0.927 3.582 4.749) 6.020 1.351 ( -0.912 -2.399 5.722) 6.271 1.587 ( -3.022 7.619 -7.584) 11.167 1.738 ( -2.251 -7.037 -6.932) 10.131 2.401 ( -2.181 6.982 3.918) 8.298 2.531 ( -3.752 -5.451 0.593) 6.644 2.825 ( 18.014 17.469 3.784) 25.377 3.160 ( 14.734 -13.966 10.193) 22.717 4.370 ( 27.191 8.149 -2.037) 28.459 4.605 ( 26.712 -13.791 -3.337) 30.247 6.114 ( -6.100 3.227 -0.633) 6.930 6.129 ( -5.973 1.598 -1.974) 6.491 ======================= Grid point 758 (405/413) ======================= q-point: ( 0.31 0.46 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -0.558 3.430 5.155) 6.217 1.353 ( -0.862 -2.480 5.442) 6.042 1.515 ( -1.877 7.309 -5.686) 9.448 1.669 ( -2.450 -7.630 -5.734) 9.854 2.333 ( -5.237 4.513 4.439) 8.215 2.437 ( -5.537 -5.455 1.085) 7.848 3.221 ( 19.187 17.796 7.043) 27.101 3.514 ( 16.565 -9.718 10.364) 21.823 4.880 ( 23.264 7.418 -2.202) 24.517 5.090 ( 21.953 -11.711 -4.807) 25.341 5.974 ( -7.186 3.308 -1.555) 8.062 5.990 ( -6.982 1.451 -1.707) 7.333 ======================= Grid point 759 (406/413) ======================= q-point: ( 0.38 0.46 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 0.167 2.410 4.956) 5.513 1.353 ( -1.000 -2.125 5.297) 5.794 1.474 ( -0.530 5.345 -4.457) 6.980 1.601 ( -2.590 -6.961 -4.618) 8.746 2.246 ( -4.614 2.881 4.872) 7.302 2.331 ( -5.191 -5.366 2.009) 7.731 3.620 ( 17.490 16.904 7.605) 25.485 3.869 ( 14.937 -6.384 8.104) 18.153 5.241 ( 12.027 6.725 -1.261) 13.838 5.402 ( 10.046 -7.055 -6.988) 14.125 5.826 ( -6.298 4.293 -2.189) 7.931 5.880 ( -2.011 -2.238 -0.003) 3.008 ======================= Grid point 760 (407/413) ======================= q-point: ( 0.46 0.46 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.749 0.834 4.117) 4.267 1.351 ( -0.894 -0.958 5.325) 5.484 1.461 ( 0.659 2.479 -3.870) 4.643 1.539 ( -1.971 -5.160 -3.740) 6.671 2.194 ( -2.211 1.388 5.256) 5.869 2.255 ( -3.063 -4.666 3.123) 6.395 3.941 ( 11.420 15.229 4.156) 19.484 4.135 ( 8.928 -2.717 2.447) 9.647 5.322 ( -2.399 5.994 3.057) 7.144 5.441 ( -2.728 -4.754 -5.126) 7.505 5.757 ( 0.534 8.199 -2.717) 8.654 5.910 ( 2.893 -7.939 -0.862) 8.494 ======================= Grid point 761 (408/413) ======================= q-point: (-0.46 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( -0.638 1.445 4.356) 4.634 1.365 ( 0.353 -0.235 3.060) 3.089 1.468 ( 1.103 0.294 -3.823) 3.990 1.507 ( 0.196 -3.982 -1.907) 4.420 2.197 ( 0.669 0.299 5.136) 5.188 2.238 ( 0.213 -3.913 4.394) 5.888 4.048 ( -1.723 15.107 -5.438) 16.148 4.219 ( -0.021 -0.603 -5.588) 5.620 5.273 ( -3.850 2.532 9.790) 10.820 5.335 ( -6.179 -3.500 2.058) 7.394 5.770 ( 1.188 8.561 -3.680) 9.394 5.929 ( -0.621 -7.978 -2.326) 8.333 ======================= Grid point 762 (409/413) ======================= q-point: (-0.38 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -0.577 3.200 4.622) 5.651 1.369 ( -0.488 1.184 0.609) 1.418 1.478 ( 1.487 0.255 -4.109) 4.378 1.534 ( 2.329 -5.144 0.550) 5.673 2.252 ( 3.075 0.262 4.368) 5.349 2.292 ( 3.271 -3.660 5.236) 7.177 3.851 ( -13.133 18.541 -13.721) 26.543 4.099 ( -8.384 -4.323 -13.311) 16.315 5.161 ( -13.093 -0.489 7.039) 14.873 5.213 ( -8.790 -2.977 10.042) 13.673 5.808 ( 4.186 6.081 -0.702) 7.416 5.902 ( 0.042 -4.163 -1.644) 4.476 ======================= Grid point 763 (410/413) ======================= q-point: (-0.31 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -0.748 3.506 5.446) 6.520 1.357 ( -0.479 2.341 -0.107) 2.392 1.501 ( 2.177 1.866 -4.018) 4.936 1.592 ( 3.138 -6.172 0.648) 6.954 2.340 ( 4.034 1.270 3.535) 5.512 2.392 ( 4.610 -3.538 4.829) 7.556 3.479 ( -17.918 21.969 -16.626) 32.865 3.823 ( -12.821 -9.935 -18.294) 24.449 4.815 ( -22.657 2.974 4.294) 23.251 4.965 ( -18.908 -9.345 6.949) 22.207 5.927 ( 6.662 3.449 2.632) 7.951 5.952 ( 4.585 0.573 1.939) 5.011 ======================= Grid point 764 (411/413) ======================= q-point: (-0.23 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -0.736 3.153 1.101) 3.420 1.366 ( -0.104 1.670 5.231) 5.492 1.537 ( 2.797 4.510 -3.814) 6.536 1.664 ( 4.023 -6.927 -0.623) 8.034 2.418 ( 2.244 3.493 1.871) 4.554 2.496 ( 3.933 -3.804 3.640) 6.571 3.044 ( -19.409 24.161 -16.014) 34.884 3.483 ( -14.390 -16.966 -19.679) 29.702 4.324 ( -26.271 6.546 2.535) 27.193 4.541 ( -23.862 -12.898 2.592) 27.248 6.064 ( 5.483 2.739 3.924) 7.278 6.075 ( 6.210 1.669 3.238) 7.200 ======================= Grid point 765 (412/413) ======================= q-point: (-0.15 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( -0.038 3.502 0.777) 3.587 1.387 ( 0.386 -0.842 4.884) 4.971 1.589 ( 3.659 7.303 -2.882) 8.661 1.751 ( 5.209 -8.051 -2.365) 9.877 2.425 ( -1.750 6.974 -2.205) 7.521 2.553 ( -1.329 -4.406 0.327) 4.614 2.616 ( -16.194 22.537 -10.119) 29.539 3.107 ( -17.240 -23.720 -15.761) 33.290 3.851 ( -19.386 9.043 0.043) 21.391 4.078 ( -21.360 -12.896 -0.800) 24.964 6.175 ( 4.106 3.078 3.834) 6.406 6.197 ( 4.730 0.905 2.800) 5.570 ======================= Grid point 766 (413/413) ======================= q-point: (-0.08 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.58e-05 8.58e-05 5.83e-04 5.83e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.828 3.297 -0.372) 3.420 1.410 ( 0.288 -2.541 2.255) 3.409 1.668 ( 4.968 8.885 -1.127) 10.241 1.853 ( 5.780 -9.166 -4.329) 11.669 2.247 ( -12.822 19.346 -5.493) 23.851 2.345 ( -4.326 8.458 -6.825) 11.697 2.545 ( -2.978 -7.863 -0.019) 8.408 2.708 ( -16.304 -22.695 -8.635) 29.248 3.590 ( -6.675 5.255 -2.170) 8.768 3.727 ( -12.509 -8.626 -1.939) 15.318 6.251 ( 2.250 3.194 3.020) 4.938 6.280 ( 2.650 0.367 1.884) 3.272 =================== 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 3/18252 10.0 37.425 36.677 36.345 0.000 -4.286 0.000 3/18252 20.0 8.496 8.349 8.425 0.000 -0.744 0.000 3/18252 30.0 4.581 4.658 4.566 0.000 -0.278 0.000 3/18252 40.0 3.152 3.272 3.154 0.000 -0.143 0.000 3/18252 50.0 2.426 2.551 2.436 0.000 -0.090 0.000 3/18252 60.0 1.989 2.108 2.003 0.000 -0.064 0.000 3/18252 70.0 1.695 1.806 1.711 0.000 -0.050 0.000 3/18252 80.0 1.482 1.585 1.499 0.000 -0.041 0.000 3/18252 90.0 1.318 1.414 1.336 0.000 -0.035 0.000 3/18252 100.0 1.189 1.278 1.207 0.000 -0.031 0.000 3/18252 110.0 1.084 1.166 1.101 0.000 -0.027 0.000 3/18252 120.0 0.996 1.073 1.013 0.000 -0.025 0.000 3/18252 130.0 0.921 0.993 0.938 0.000 -0.023 0.000 3/18252 140.0 0.857 0.925 0.873 0.000 -0.021 0.000 3/18252 150.0 0.801 0.865 0.817 0.000 -0.020 0.000 3/18252 160.0 0.752 0.813 0.768 0.000 -0.018 0.000 3/18252 170.0 0.709 0.767 0.724 0.000 -0.017 0.000 3/18252 180.0 0.671 0.725 0.685 0.000 -0.016 0.000 3/18252 190.0 0.636 0.688 0.650 0.000 -0.015 0.000 3/18252 200.0 0.605 0.654 0.618 0.000 -0.015 0.000 3/18252 210.0 0.576 0.624 0.589 0.000 -0.014 0.000 3/18252 220.0 0.551 0.596 0.563 0.000 -0.013 0.000 3/18252 230.0 0.527 0.571 0.539 0.000 -0.013 0.000 3/18252 240.0 0.505 0.547 0.517 0.000 -0.012 0.000 3/18252 250.0 0.486 0.526 0.497 0.000 -0.012 0.000 3/18252 260.0 0.467 0.506 0.478 0.000 -0.011 0.000 3/18252 270.0 0.450 0.487 0.460 0.000 -0.011 0.000 3/18252 280.0 0.434 0.470 0.444 0.000 -0.010 0.000 3/18252 290.0 0.419 0.454 0.429 0.000 -0.010 0.000 3/18252 300.0 0.406 0.439 0.415 0.000 -0.010 0.000 3/18252 310.0 0.393 0.425 0.402 0.000 -0.009 0.000 3/18252 320.0 0.380 0.412 0.389 0.000 -0.009 0.000 3/18252 330.0 0.369 0.400 0.378 0.000 -0.009 0.000 3/18252 340.0 0.358 0.388 0.367 0.000 -0.009 0.000 3/18252 350.0 0.348 0.377 0.356 0.000 -0.008 0.000 3/18252 360.0 0.338 0.367 0.346 0.000 -0.008 0.000 3/18252 370.0 0.329 0.357 0.337 0.000 -0.008 0.000 3/18252 380.0 0.321 0.348 0.328 0.000 -0.008 0.000 3/18252 390.0 0.313 0.339 0.320 0.000 -0.007 0.000 3/18252 400.0 0.305 0.330 0.312 0.000 -0.007 0.000 3/18252 410.0 0.297 0.322 0.305 0.000 -0.007 0.000 3/18252 420.0 0.290 0.315 0.297 0.000 -0.007 0.000 3/18252 430.0 0.284 0.307 0.290 0.000 -0.007 0.000 3/18252 440.0 0.277 0.301 0.284 0.000 -0.007 0.000 3/18252 450.0 0.271 0.294 0.278 0.000 -0.006 0.000 3/18252 460.0 0.265 0.288 0.272 0.000 -0.006 0.000 3/18252 470.0 0.260 0.281 0.266 0.000 -0.006 0.000 3/18252 480.0 0.254 0.276 0.260 0.000 -0.006 0.000 3/18252 490.0 0.249 0.270 0.255 0.000 -0.006 0.000 3/18252 500.0 0.244 0.265 0.250 0.000 -0.006 0.000 3/18252 510.0 0.239 0.260 0.245 0.000 -0.006 0.000 3/18252 520.0 0.235 0.255 0.240 0.000 -0.006 0.000 3/18252 530.0 0.230 0.250 0.236 0.000 -0.005 0.000 3/18252 540.0 0.226 0.245 0.232 0.000 -0.005 0.000 3/18252 550.0 0.222 0.241 0.227 0.000 -0.005 0.000 3/18252 560.0 0.218 0.236 0.223 0.000 -0.005 0.000 3/18252 570.0 0.214 0.232 0.219 0.000 -0.005 0.000 3/18252 580.0 0.211 0.228 0.216 0.000 -0.005 0.000 3/18252 590.0 0.207 0.224 0.212 0.000 -0.005 0.000 3/18252 600.0 0.204 0.221 0.209 0.000 -0.005 0.000 3/18252 610.0 0.200 0.217 0.205 0.000 -0.005 0.000 3/18252 620.0 0.197 0.214 0.202 0.000 -0.005 0.000 3/18252 630.0 0.194 0.210 0.199 0.000 -0.005 0.000 3/18252 640.0 0.191 0.207 0.196 0.000 -0.005 0.000 3/18252 650.0 0.188 0.204 0.193 0.000 -0.004 0.000 3/18252 660.0 0.185 0.201 0.190 0.000 -0.004 0.000 3/18252 670.0 0.182 0.198 0.187 0.000 -0.004 0.000 3/18252 680.0 0.180 0.195 0.184 0.000 -0.004 0.000 3/18252 690.0 0.177 0.192 0.181 0.000 -0.004 0.000 3/18252 700.0 0.175 0.189 0.179 0.000 -0.004 0.000 3/18252 710.0 0.172 0.187 0.176 0.000 -0.004 0.000 3/18252 720.0 0.170 0.184 0.174 0.000 -0.004 0.000 3/18252 730.0 0.167 0.182 0.172 0.000 -0.004 0.000 3/18252 740.0 0.165 0.179 0.169 0.000 -0.004 0.000 3/18252 750.0 0.163 0.177 0.167 0.000 -0.004 0.000 3/18252 760.0 0.161 0.174 0.165 0.000 -0.004 0.000 3/18252 770.0 0.159 0.172 0.163 0.000 -0.004 0.000 3/18252 780.0 0.157 0.170 0.161 0.000 -0.004 0.000 3/18252 790.0 0.155 0.168 0.159 0.000 -0.004 0.000 3/18252 800.0 0.153 0.166 0.157 0.000 -0.004 0.000 3/18252 810.0 0.151 0.164 0.155 0.000 -0.004 0.000 3/18252 820.0 0.149 0.162 0.153 0.000 -0.004 0.000 3/18252 830.0 0.147 0.160 0.151 0.000 -0.004 0.000 3/18252 840.0 0.146 0.158 0.149 0.000 -0.003 0.000 3/18252 850.0 0.144 0.156 0.147 0.000 -0.003 0.000 3/18252 860.0 0.142 0.154 0.146 0.000 -0.003 0.000 3/18252 870.0 0.141 0.152 0.144 0.000 -0.003 0.000 3/18252 880.0 0.139 0.151 0.142 0.000 -0.003 0.000 3/18252 890.0 0.137 0.149 0.141 0.000 -0.003 0.000 3/18252 900.0 0.136 0.147 0.139 0.000 -0.003 0.000 3/18252 910.0 0.134 0.146 0.138 0.000 -0.003 0.000 3/18252 920.0 0.133 0.144 0.136 0.000 -0.003 0.000 3/18252 930.0 0.131 0.143 0.135 0.000 -0.003 0.000 3/18252 940.0 0.130 0.141 0.133 0.000 -0.003 0.000 3/18252 950.0 0.129 0.140 0.132 0.000 -0.003 0.000 3/18252 960.0 0.127 0.138 0.131 0.000 -0.003 0.000 3/18252 970.0 0.126 0.137 0.129 0.000 -0.003 0.000 3/18252 980.0 0.125 0.135 0.128 0.000 -0.003 0.000 3/18252 990.0 0.124 0.134 0.127 0.000 -0.003 0.000 3/18252 1000.0 0.122 0.133 0.125 0.000 -0.003 0.000 3/18252 Thermal conductivity related properties were written into "kappa-m13139.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:03:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|