----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:37:18]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.083516073420348 0.000000000000000 0.000000000000000 b 0.000000000000000 3.601144360000000 0.000000000000000 c -1.117064787398405 0.000000000000000 8.930955008418211 Atomic positions (fractional): *1 S 0.88038978728013 0.75000000000000 0.67161417883472 32.065 2 S 0.11961021271987 0.25000000000000 0.32838582116528 32.065 *3 S 0.23770017829426 0.25000000000000 0.94464273363585 32.065 4 S 0.76229982170574 0.75000000000000 0.05535726636415 32.065 *5 S 0.52679003902655 0.25000000000000 0.32709820994895 32.065 6 S 0.47320996097345 0.75000000000000 0.67290179005105 32.065 *7 Zr 0.28374987040982 0.75000000000000 0.15362522605493 91.224 8 Zr 0.71625012959018 0.25000000000000 0.84637477394507 91.224 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.083516073420348 0.000000000000000 0.000000000000000 b 0.000000000000000 3.601144360000000 0.000000000000000 c -1.117064787398405 0.000000000000000 8.930955008418211 Atomic positions (fractional): *1 S 0.88038978728013 0.75000000000000 0.67161417883472 32.065 > 1 2 S 0.11961021271987 0.25000000000000 0.32838582116528 32.065 > 2 *3 S 0.23770017829426 0.25000000000000 0.94464273363585 32.065 > 3 4 S 0.76229982170574 0.75000000000000 0.05535726636415 32.065 > 4 *5 S 0.52679003902655 0.25000000000000 0.32709820994895 32.065 > 5 6 S 0.47320996097345 0.75000000000000 0.67290179005105 32.065 > 6 *7 Zr 0.28374987040982 0.75000000000000 0.15362522605493 91.224 > 7 8 Zr 0.71625012959018 0.25000000000000 0.84637477394507 91.224 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.250548220261045 0.000000000000000 0.000000000000000 b 0.000000000000000 10.803433080000001 0.000000000000000 c -2.234129574796810 0.000000000000000 17.861910016836422 Atomic positions (fractional): *1 S 0.29346326242671 0.25000000000000 0.33580708941736 32.065 > 1 2 S 0.62679659576004 0.25000000000000 0.33580708941736 32.065 > 1 3 S 0.96012992909338 0.25000000000000 0.33580708941736 32.065 > 1 4 S 0.29346326242671 0.58333333333333 0.33580708941736 32.065 > 1 5 S 0.62679659576004 0.58333333333333 0.33580708941736 32.065 > 1 6 S 0.96012992909338 0.58333333333333 0.33580708941736 32.065 > 1 7 S 0.29346326242671 0.91666666666667 0.33580708941736 32.065 > 1 8 S 0.62679659576004 0.91666666666667 0.33580708941736 32.065 > 1 9 S 0.96012992909338 0.91666666666667 0.33580708941736 32.065 > 1 10 S 0.29346326242671 0.25000000000000 0.83580708941736 32.065 > 1 11 S 0.62679659576004 0.25000000000000 0.83580708941736 32.065 > 1 12 S 0.96012992909338 0.25000000000000 0.83580708941736 32.065 > 1 13 S 0.29346326242671 0.58333333333333 0.83580708941736 32.065 > 1 14 S 0.62679659576004 0.58333333333333 0.83580708941736 32.065 > 1 15 S 0.96012992909338 0.58333333333333 0.83580708941736 32.065 > 1 16 S 0.29346326242671 0.91666666666667 0.83580708941736 32.065 > 1 17 S 0.62679659576004 0.91666666666667 0.83580708941736 32.065 > 1 18 S 0.96012992909338 0.91666666666667 0.83580708941736 32.065 > 1 19 S 0.03987007090662 0.08333333333333 0.16419291058264 32.065 > 2 20 S 0.37320340423996 0.08333333333333 0.16419291058264 32.065 > 2 21 S 0.70653673757329 0.08333333333333 0.16419291058264 32.065 > 2 22 S 0.03987007090662 0.41666666666667 0.16419291058264 32.065 > 2 23 S 0.37320340423996 0.41666666666667 0.16419291058264 32.065 > 2 24 S 0.70653673757329 0.41666666666667 0.16419291058264 32.065 > 2 25 S 0.03987007090662 0.75000000000000 0.16419291058264 32.065 > 2 26 S 0.37320340423996 0.75000000000000 0.16419291058264 32.065 > 2 27 S 0.70653673757329 0.75000000000000 0.16419291058264 32.065 > 2 28 S 0.03987007090662 0.08333333333333 0.66419291058264 32.065 > 2 29 S 0.37320340423996 0.08333333333333 0.66419291058264 32.065 > 2 30 S 0.70653673757329 0.08333333333333 0.66419291058264 32.065 > 2 31 S 0.03987007090662 0.41666666666667 0.66419291058264 32.065 > 2 32 S 0.37320340423996 0.41666666666667 0.66419291058264 32.065 > 2 33 S 0.70653673757329 0.41666666666667 0.66419291058264 32.065 > 2 34 S 0.03987007090662 0.75000000000000 0.66419291058264 32.065 > 2 35 S 0.37320340423996 0.75000000000000 0.66419291058264 32.065 > 2 36 S 0.70653673757329 0.75000000000000 0.66419291058264 32.065 > 2 *37 S 0.07923339276475 0.08333333333333 0.47232136681793 32.065 > 3 38 S 0.41256672609809 0.08333333333333 0.47232136681793 32.065 > 3 39 S 0.74590005943142 0.08333333333333 0.47232136681793 32.065 > 3 40 S 0.07923339276475 0.41666666666667 0.47232136681793 32.065 > 3 41 S 0.41256672609809 0.41666666666667 0.47232136681793 32.065 > 3 42 S 0.74590005943142 0.41666666666667 0.47232136681793 32.065 > 3 43 S 0.07923339276475 0.75000000000000 0.47232136681793 32.065 > 3 44 S 0.41256672609809 0.75000000000000 0.47232136681793 32.065 > 3 45 S 0.74590005943142 0.75000000000000 0.47232136681793 32.065 > 3 46 S 0.07923339276475 0.08333333333333 0.97232136681793 32.065 > 3 47 S 0.41256672609809 0.08333333333333 0.97232136681793 32.065 > 3 48 S 0.74590005943142 0.08333333333333 0.97232136681793 32.065 > 3 49 S 0.07923339276475 0.41666666666667 0.97232136681793 32.065 > 3 50 S 0.41256672609809 0.41666666666667 0.97232136681793 32.065 > 3 51 S 0.74590005943142 0.41666666666667 0.97232136681793 32.065 > 3 52 S 0.07923339276475 0.75000000000000 0.97232136681793 32.065 > 3 53 S 0.41256672609809 0.75000000000000 0.97232136681793 32.065 > 3 54 S 0.74590005943142 0.75000000000000 0.97232136681793 32.065 > 3 55 S 0.25409994056858 0.25000000000000 0.02767863318207 32.065 > 4 56 S 0.58743327390191 0.25000000000000 0.02767863318207 32.065 > 4 57 S 0.92076660723525 0.25000000000000 0.02767863318207 32.065 > 4 58 S 0.25409994056858 0.58333333333333 0.02767863318207 32.065 > 4 59 S 0.58743327390191 0.58333333333333 0.02767863318207 32.065 > 4 60 S 0.92076660723525 0.58333333333333 0.02767863318207 32.065 > 4 61 S 0.25409994056858 0.91666666666667 0.02767863318207 32.065 > 4 62 S 0.58743327390191 0.91666666666667 0.02767863318207 32.065 > 4 63 S 0.92076660723525 0.91666666666667 0.02767863318207 32.065 > 4 64 S 0.25409994056858 0.25000000000000 0.52767863318207 32.065 > 4 65 S 0.58743327390191 0.25000000000000 0.52767863318207 32.065 > 4 66 S 0.92076660723525 0.25000000000000 0.52767863318207 32.065 > 4 67 S 0.25409994056858 0.58333333333333 0.52767863318207 32.065 > 4 68 S 0.58743327390191 0.58333333333333 0.52767863318207 32.065 > 4 69 S 0.92076660723525 0.58333333333333 0.52767863318207 32.065 > 4 70 S 0.25409994056858 0.91666666666667 0.52767863318207 32.065 > 4 71 S 0.58743327390191 0.91666666666667 0.52767863318207 32.065 > 4 72 S 0.92076660723525 0.91666666666667 0.52767863318207 32.065 > 4 *73 S 0.17559667967552 0.08333333333333 0.16354910497447 32.065 > 5 74 S 0.50893001300885 0.08333333333333 0.16354910497447 32.065 > 5 75 S 0.84226334634218 0.08333333333333 0.16354910497447 32.065 > 5 76 S 0.17559667967552 0.41666666666667 0.16354910497447 32.065 > 5 77 S 0.50893001300885 0.41666666666667 0.16354910497447 32.065 > 5 78 S 0.84226334634218 0.41666666666667 0.16354910497447 32.065 > 5 79 S 0.17559667967552 0.75000000000000 0.16354910497447 32.065 > 5 80 S 0.50893001300885 0.75000000000000 0.16354910497447 32.065 > 5 81 S 0.84226334634218 0.75000000000000 0.16354910497447 32.065 > 5 82 S 0.17559667967552 0.08333333333333 0.66354910497447 32.065 > 5 83 S 0.50893001300885 0.08333333333333 0.66354910497447 32.065 > 5 84 S 0.84226334634218 0.08333333333333 0.66354910497447 32.065 > 5 85 S 0.17559667967552 0.41666666666667 0.66354910497447 32.065 > 5 86 S 0.50893001300885 0.41666666666667 0.66354910497447 32.065 > 5 87 S 0.84226334634218 0.41666666666667 0.66354910497447 32.065 > 5 88 S 0.17559667967552 0.75000000000000 0.66354910497447 32.065 > 5 89 S 0.50893001300885 0.75000000000000 0.66354910497447 32.065 > 5 90 S 0.84226334634218 0.75000000000000 0.66354910497447 32.065 > 5 91 S 0.15773665365782 0.25000000000000 0.33645089502553 32.065 > 6 92 S 0.49106998699115 0.25000000000000 0.33645089502553 32.065 > 6 93 S 0.82440332032448 0.25000000000000 0.33645089502553 32.065 > 6 94 S 0.15773665365782 0.58333333333333 0.33645089502553 32.065 > 6 95 S 0.49106998699115 0.58333333333333 0.33645089502553 32.065 > 6 96 S 0.82440332032448 0.58333333333333 0.33645089502553 32.065 > 6 97 S 0.15773665365782 0.91666666666667 0.33645089502553 32.065 > 6 98 S 0.49106998699115 0.91666666666667 0.33645089502553 32.065 > 6 99 S 0.82440332032448 0.91666666666667 0.33645089502553 32.065 > 6 100 S 0.15773665365782 0.25000000000000 0.83645089502553 32.065 > 6 101 S 0.49106998699115 0.25000000000000 0.83645089502553 32.065 > 6 102 S 0.82440332032448 0.25000000000000 0.83645089502553 32.065 > 6 103 S 0.15773665365782 0.58333333333333 0.83645089502553 32.065 > 6 104 S 0.49106998699115 0.58333333333333 0.83645089502553 32.065 > 6 105 S 0.82440332032448 0.58333333333333 0.83645089502553 32.065 > 6 106 S 0.15773665365782 0.91666666666667 0.83645089502553 32.065 > 6 107 S 0.49106998699115 0.91666666666667 0.83645089502553 32.065 > 6 108 S 0.82440332032448 0.91666666666667 0.83645089502553 32.065 > 6 *109 Zr 0.09458329013661 0.25000000000000 0.07681261302747 91.224 > 7 110 Zr 0.42791662346994 0.25000000000000 0.07681261302747 91.224 > 7 111 Zr 0.76124995680327 0.25000000000000 0.07681261302747 91.224 > 7 112 Zr 0.09458329013661 0.58333333333333 0.07681261302747 91.224 > 7 113 Zr 0.42791662346994 0.58333333333333 0.07681261302747 91.224 > 7 114 Zr 0.76124995680327 0.58333333333333 0.07681261302747 91.224 > 7 115 Zr 0.09458329013661 0.91666666666667 0.07681261302747 91.224 > 7 116 Zr 0.42791662346994 0.91666666666667 0.07681261302747 91.224 > 7 117 Zr 0.76124995680327 0.91666666666667 0.07681261302747 91.224 > 7 118 Zr 0.09458329013661 0.25000000000000 0.57681261302747 91.224 > 7 119 Zr 0.42791662346994 0.25000000000000 0.57681261302747 91.224 > 7 120 Zr 0.76124995680327 0.25000000000000 0.57681261302747 91.224 > 7 121 Zr 0.09458329013661 0.58333333333333 0.57681261302747 91.224 > 7 122 Zr 0.42791662346994 0.58333333333333 0.57681261302747 91.224 > 7 123 Zr 0.76124995680327 0.58333333333333 0.57681261302747 91.224 > 7 124 Zr 0.09458329013661 0.91666666666667 0.57681261302747 91.224 > 7 125 Zr 0.42791662346994 0.91666666666667 0.57681261302747 91.224 > 7 126 Zr 0.76124995680327 0.91666666666667 0.57681261302747 91.224 > 7 127 Zr 0.23875004319673 0.08333333333333 0.42318738697253 91.224 > 8 128 Zr 0.57208337653006 0.08333333333333 0.42318738697253 91.224 > 8 129 Zr 0.90541670986339 0.08333333333333 0.42318738697253 91.224 > 8 130 Zr 0.23875004319673 0.41666666666667 0.42318738697253 91.224 > 8 131 Zr 0.57208337653006 0.41666666666667 0.42318738697253 91.224 > 8 132 Zr 0.90541670986339 0.41666666666667 0.42318738697253 91.224 > 8 133 Zr 0.23875004319673 0.75000000000000 0.42318738697253 91.224 > 8 134 Zr 0.57208337653006 0.75000000000000 0.42318738697253 91.224 > 8 135 Zr 0.90541670986339 0.75000000000000 0.42318738697253 91.224 > 8 136 Zr 0.23875004319673 0.08333333333333 0.92318738697253 91.224 > 8 137 Zr 0.57208337653006 0.08333333333333 0.92318738697253 91.224 > 8 138 Zr 0.90541670986339 0.08333333333333 0.92318738697253 91.224 > 8 139 Zr 0.23875004319673 0.41666666666667 0.92318738697253 91.224 > 8 140 Zr 0.57208337653006 0.41666666666667 0.92318738697253 91.224 > 8 141 Zr 0.90541670986339 0.41666666666667 0.92318738697253 91.224 > 8 142 Zr 0.23875004319673 0.75000000000000 0.92318738697253 91.224 > 8 143 Zr 0.57208337653006 0.75000000000000 0.92318738697253 91.224 > 8 144 Zr 0.90541670986339 0.75000000000000 0.92318738697253 91.224 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5653386 0.0000000 0.0004491 0.0000000 10.7039021 0.0000000 0.0004471 0.0000000 5.9360446 -------------------------- Born effective charges -------------------------- 1 S -0.2743102 0.0000000 0.1013218 0.0000000 -1.6515382 0.0000000 0.6022088 0.0000000 -0.4330468 2 S -0.2743102 0.0000000 0.1013218 0.0000000 -1.6515382 0.0000000 0.6022088 0.0000000 -0.4330468 3 S -1.9944215 0.0000000 -0.0098073 0.0000000 -2.7358434 0.0000000 -0.0063348 0.0000000 -1.0050792 4 S -1.9944215 0.0000000 -0.0098073 0.0000000 -2.7358434 0.0000000 -0.0063348 0.0000000 -1.0050792 5 S -0.4453869 0.0000000 -0.0996521 0.0000000 -1.6200527 0.0000000 -0.6185688 0.0000000 -0.4573532 6 S -0.4453869 0.0000000 -0.0996521 0.0000000 -1.6200527 0.0000000 -0.6185688 0.0000000 -0.4573532 7 Zr 2.7141186 0.0000000 0.0081375 0.0000000 6.0074342 0.0000000 0.0226948 0.0000000 1.8954792 8 Zr 2.7141186 0.0000000 0.0081375 0.0000000 6.0074342 0.0000000 0.0226948 0.0000000 1.8954792 ---------------------------------------------------------------------------- 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: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1421), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 2.555 Solver_block: 200 / 240 - Time: 2.584 Solver_block: 240 / 240 - Time: 1.093 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.481 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 5784/5784 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1421), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 377), 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 2026-01-07 23:37:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:37:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.083516073420348 0.000000000000000 0.000000000000000 b 0.000000000000000 3.601144360000000 0.000000000000000 c -1.117064787398405 0.000000000000000 8.930955008418211 Atomic positions (fractional): 1 S 0.88038978728013 0.75000000000000 0.67161417883472 32.065 2 S 0.11961021271987 0.25000000000000 0.32838582116528 32.065 3 S 0.23770017829426 0.25000000000000 0.94464273363585 32.065 4 S 0.76229982170574 0.75000000000000 0.05535726636415 32.065 5 S 0.52679003902655 0.25000000000000 0.32709820994895 32.065 6 S 0.47320996097345 0.75000000000000 0.67290179005105 32.065 7 Zr 0.28374987040982 0.75000000000000 0.15362522605493 91.224 8 Zr 0.71625012959018 0.25000000000000 0.84637477394507 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.250548220261045 0.000000000000000 0.000000000000000 b 0.000000000000000 10.803433080000001 0.000000000000000 c -2.234129574796810 0.000000000000000 17.861910016836422 Atomic positions (fractional): 1 S 0.29346326242671 0.25000000000000 0.33580708941736 32.065 > 1 2 S 0.62679659576004 0.25000000000000 0.33580708941736 32.065 > 1 3 S 0.96012992909338 0.25000000000000 0.33580708941736 32.065 > 1 4 S 0.29346326242671 0.58333333333333 0.33580708941736 32.065 > 1 5 S 0.62679659576004 0.58333333333333 0.33580708941736 32.065 > 1 6 S 0.96012992909338 0.58333333333333 0.33580708941736 32.065 > 1 7 S 0.29346326242671 0.91666666666667 0.33580708941736 32.065 > 1 8 S 0.62679659576004 0.91666666666667 0.33580708941736 32.065 > 1 9 S 0.96012992909338 0.91666666666667 0.33580708941736 32.065 > 1 10 S 0.29346326242671 0.25000000000000 0.83580708941736 32.065 > 1 11 S 0.62679659576004 0.25000000000000 0.83580708941736 32.065 > 1 12 S 0.96012992909338 0.25000000000000 0.83580708941736 32.065 > 1 13 S 0.29346326242671 0.58333333333333 0.83580708941736 32.065 > 1 14 S 0.62679659576004 0.58333333333333 0.83580708941736 32.065 > 1 15 S 0.96012992909338 0.58333333333333 0.83580708941736 32.065 > 1 16 S 0.29346326242671 0.91666666666667 0.83580708941736 32.065 > 1 17 S 0.62679659576004 0.91666666666667 0.83580708941736 32.065 > 1 18 S 0.96012992909338 0.91666666666667 0.83580708941736 32.065 > 1 19 S 0.03987007090662 0.08333333333333 0.16419291058264 32.065 > 19 20 S 0.37320340423996 0.08333333333333 0.16419291058264 32.065 > 19 21 S 0.70653673757329 0.08333333333333 0.16419291058264 32.065 > 19 22 S 0.03987007090662 0.41666666666667 0.16419291058264 32.065 > 19 23 S 0.37320340423996 0.41666666666667 0.16419291058264 32.065 > 19 24 S 0.70653673757329 0.41666666666667 0.16419291058264 32.065 > 19 25 S 0.03987007090662 0.75000000000000 0.16419291058264 32.065 > 19 26 S 0.37320340423996 0.75000000000000 0.16419291058264 32.065 > 19 27 S 0.70653673757329 0.75000000000000 0.16419291058264 32.065 > 19 28 S 0.03987007090662 0.08333333333333 0.66419291058264 32.065 > 19 29 S 0.37320340423996 0.08333333333333 0.66419291058264 32.065 > 19 30 S 0.70653673757329 0.08333333333333 0.66419291058264 32.065 > 19 31 S 0.03987007090662 0.41666666666667 0.66419291058264 32.065 > 19 32 S 0.37320340423996 0.41666666666667 0.66419291058264 32.065 > 19 33 S 0.70653673757329 0.41666666666667 0.66419291058264 32.065 > 19 34 S 0.03987007090662 0.75000000000000 0.66419291058264 32.065 > 19 35 S 0.37320340423996 0.75000000000000 0.66419291058264 32.065 > 19 36 S 0.70653673757329 0.75000000000000 0.66419291058264 32.065 > 19 37 S 0.07923339276475 0.08333333333333 0.47232136681793 32.065 > 37 38 S 0.41256672609809 0.08333333333333 0.47232136681793 32.065 > 37 39 S 0.74590005943142 0.08333333333333 0.47232136681793 32.065 > 37 40 S 0.07923339276475 0.41666666666667 0.47232136681793 32.065 > 37 41 S 0.41256672609809 0.41666666666667 0.47232136681793 32.065 > 37 42 S 0.74590005943142 0.41666666666667 0.47232136681793 32.065 > 37 43 S 0.07923339276475 0.75000000000000 0.47232136681793 32.065 > 37 44 S 0.41256672609809 0.75000000000000 0.47232136681793 32.065 > 37 45 S 0.74590005943142 0.75000000000000 0.47232136681793 32.065 > 37 46 S 0.07923339276475 0.08333333333333 0.97232136681793 32.065 > 37 47 S 0.41256672609809 0.08333333333333 0.97232136681793 32.065 > 37 48 S 0.74590005943142 0.08333333333333 0.97232136681793 32.065 > 37 49 S 0.07923339276475 0.41666666666667 0.97232136681793 32.065 > 37 50 S 0.41256672609809 0.41666666666667 0.97232136681793 32.065 > 37 51 S 0.74590005943142 0.41666666666667 0.97232136681793 32.065 > 37 52 S 0.07923339276475 0.75000000000000 0.97232136681793 32.065 > 37 53 S 0.41256672609809 0.75000000000000 0.97232136681793 32.065 > 37 54 S 0.74590005943142 0.75000000000000 0.97232136681793 32.065 > 37 55 S 0.25409994056858 0.25000000000000 0.02767863318207 32.065 > 55 56 S 0.58743327390191 0.25000000000000 0.02767863318207 32.065 > 55 57 S 0.92076660723525 0.25000000000000 0.02767863318207 32.065 > 55 58 S 0.25409994056858 0.58333333333333 0.02767863318207 32.065 > 55 59 S 0.58743327390191 0.58333333333333 0.02767863318207 32.065 > 55 60 S 0.92076660723525 0.58333333333333 0.02767863318207 32.065 > 55 61 S 0.25409994056858 0.91666666666667 0.02767863318207 32.065 > 55 62 S 0.58743327390191 0.91666666666667 0.02767863318207 32.065 > 55 63 S 0.92076660723525 0.91666666666667 0.02767863318207 32.065 > 55 64 S 0.25409994056858 0.25000000000000 0.52767863318207 32.065 > 55 65 S 0.58743327390191 0.25000000000000 0.52767863318207 32.065 > 55 66 S 0.92076660723525 0.25000000000000 0.52767863318207 32.065 > 55 67 S 0.25409994056858 0.58333333333333 0.52767863318207 32.065 > 55 68 S 0.58743327390191 0.58333333333333 0.52767863318207 32.065 > 55 69 S 0.92076660723525 0.58333333333333 0.52767863318207 32.065 > 55 70 S 0.25409994056858 0.91666666666667 0.52767863318207 32.065 > 55 71 S 0.58743327390191 0.91666666666667 0.52767863318207 32.065 > 55 72 S 0.92076660723525 0.91666666666667 0.52767863318207 32.065 > 55 73 S 0.17559667967552 0.08333333333333 0.16354910497447 32.065 > 73 74 S 0.50893001300885 0.08333333333333 0.16354910497447 32.065 > 73 75 S 0.84226334634218 0.08333333333333 0.16354910497447 32.065 > 73 76 S 0.17559667967552 0.41666666666667 0.16354910497447 32.065 > 73 77 S 0.50893001300885 0.41666666666667 0.16354910497447 32.065 > 73 78 S 0.84226334634218 0.41666666666667 0.16354910497447 32.065 > 73 79 S 0.17559667967552 0.75000000000000 0.16354910497447 32.065 > 73 80 S 0.50893001300885 0.75000000000000 0.16354910497447 32.065 > 73 81 S 0.84226334634218 0.75000000000000 0.16354910497447 32.065 > 73 82 S 0.17559667967552 0.08333333333333 0.66354910497447 32.065 > 73 83 S 0.50893001300885 0.08333333333333 0.66354910497447 32.065 > 73 84 S 0.84226334634218 0.08333333333333 0.66354910497447 32.065 > 73 85 S 0.17559667967552 0.41666666666667 0.66354910497447 32.065 > 73 86 S 0.50893001300885 0.41666666666667 0.66354910497447 32.065 > 73 87 S 0.84226334634218 0.41666666666667 0.66354910497447 32.065 > 73 88 S 0.17559667967552 0.75000000000000 0.66354910497447 32.065 > 73 89 S 0.50893001300885 0.75000000000000 0.66354910497447 32.065 > 73 90 S 0.84226334634218 0.75000000000000 0.66354910497447 32.065 > 73 91 S 0.15773665365782 0.25000000000000 0.33645089502553 32.065 > 91 92 S 0.49106998699115 0.25000000000000 0.33645089502553 32.065 > 91 93 S 0.82440332032448 0.25000000000000 0.33645089502553 32.065 > 91 94 S 0.15773665365782 0.58333333333333 0.33645089502553 32.065 > 91 95 S 0.49106998699115 0.58333333333333 0.33645089502553 32.065 > 91 96 S 0.82440332032448 0.58333333333333 0.33645089502553 32.065 > 91 97 S 0.15773665365782 0.91666666666667 0.33645089502553 32.065 > 91 98 S 0.49106998699115 0.91666666666667 0.33645089502553 32.065 > 91 99 S 0.82440332032448 0.91666666666667 0.33645089502553 32.065 > 91 100 S 0.15773665365782 0.25000000000000 0.83645089502553 32.065 > 91 101 S 0.49106998699115 0.25000000000000 0.83645089502553 32.065 > 91 102 S 0.82440332032448 0.25000000000000 0.83645089502553 32.065 > 91 103 S 0.15773665365782 0.58333333333333 0.83645089502553 32.065 > 91 104 S 0.49106998699115 0.58333333333333 0.83645089502553 32.065 > 91 105 S 0.82440332032448 0.58333333333333 0.83645089502553 32.065 > 91 106 S 0.15773665365782 0.91666666666667 0.83645089502553 32.065 > 91 107 S 0.49106998699115 0.91666666666667 0.83645089502553 32.065 > 91 108 S 0.82440332032448 0.91666666666667 0.83645089502553 32.065 > 91 109 Zr 0.09458329013661 0.25000000000000 0.07681261302747 91.224 > 109 110 Zr 0.42791662346994 0.25000000000000 0.07681261302747 91.224 > 109 111 Zr 0.76124995680327 0.25000000000000 0.07681261302747 91.224 > 109 112 Zr 0.09458329013661 0.58333333333333 0.07681261302747 91.224 > 109 113 Zr 0.42791662346994 0.58333333333333 0.07681261302747 91.224 > 109 114 Zr 0.76124995680327 0.58333333333333 0.07681261302747 91.224 > 109 115 Zr 0.09458329013661 0.91666666666667 0.07681261302747 91.224 > 109 116 Zr 0.42791662346994 0.91666666666667 0.07681261302747 91.224 > 109 117 Zr 0.76124995680327 0.91666666666667 0.07681261302747 91.224 > 109 118 Zr 0.09458329013661 0.25000000000000 0.57681261302747 91.224 > 109 119 Zr 0.42791662346994 0.25000000000000 0.57681261302747 91.224 > 109 120 Zr 0.76124995680327 0.25000000000000 0.57681261302747 91.224 > 109 121 Zr 0.09458329013661 0.58333333333333 0.57681261302747 91.224 > 109 122 Zr 0.42791662346994 0.58333333333333 0.57681261302747 91.224 > 109 123 Zr 0.76124995680327 0.58333333333333 0.57681261302747 91.224 > 109 124 Zr 0.09458329013661 0.91666666666667 0.57681261302747 91.224 > 109 125 Zr 0.42791662346994 0.91666666666667 0.57681261302747 91.224 > 109 126 Zr 0.76124995680327 0.91666666666667 0.57681261302747 91.224 > 109 127 Zr 0.23875004319673 0.08333333333333 0.42318738697253 91.224 > 127 128 Zr 0.57208337653006 0.08333333333333 0.42318738697253 91.224 > 127 129 Zr 0.90541670986339 0.08333333333333 0.42318738697253 91.224 > 127 130 Zr 0.23875004319673 0.41666666666667 0.42318738697253 91.224 > 127 131 Zr 0.57208337653006 0.41666666666667 0.42318738697253 91.224 > 127 132 Zr 0.90541670986339 0.41666666666667 0.42318738697253 91.224 > 127 133 Zr 0.23875004319673 0.75000000000000 0.42318738697253 91.224 > 127 134 Zr 0.57208337653006 0.75000000000000 0.42318738697253 91.224 > 127 135 Zr 0.90541670986339 0.75000000000000 0.42318738697253 91.224 > 127 136 Zr 0.23875004319673 0.08333333333333 0.92318738697253 91.224 > 127 137 Zr 0.57208337653006 0.08333333333333 0.92318738697253 91.224 > 127 138 Zr 0.90541670986339 0.08333333333333 0.92318738697253 91.224 > 127 139 Zr 0.23875004319673 0.41666666666667 0.92318738697253 91.224 > 127 140 Zr 0.57208337653006 0.41666666666667 0.92318738697253 91.224 > 127 141 Zr 0.90541670986339 0.41666666666667 0.92318738697253 91.224 > 127 142 Zr 0.23875004319673 0.75000000000000 0.92318738697253 91.224 > 127 143 Zr 0.57208337653006 0.75000000000000 0.92318738697253 91.224 > 127 144 Zr 0.90541670986339 0.75000000000000 0.92318738697253 91.224 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5653386 0.0000000 0.0004491 0.0000000 10.7039021 0.0000000 0.0004471 0.0000000 5.9360446 -------------------------- Born effective charges -------------------------- 1 S -0.2743102 0.0000000 0.1013218 0.0000000 -1.6515382 0.0000000 0.6022088 0.0000000 -0.4330468 2 S -0.2743102 0.0000000 0.1013218 0.0000000 -1.6515382 0.0000000 0.6022088 0.0000000 -0.4330468 3 S -1.9944215 0.0000000 -0.0098073 0.0000000 -2.7358434 0.0000000 -0.0063348 0.0000000 -1.0050792 4 S -1.9944215 0.0000000 -0.0098073 0.0000000 -2.7358434 0.0000000 -0.0063348 0.0000000 -1.0050792 5 S -0.4453869 0.0000000 -0.0996521 0.0000000 -1.6200527 0.0000000 -0.6185688 0.0000000 -0.4573532 6 S -0.4453869 0.0000000 -0.0996521 0.0000000 -1.6200527 0.0000000 -0.6185688 0.0000000 -0.4573532 7 Zr 2.7141186 0.0000000 0.0081375 0.0000000 6.0074342 0.0000000 0.0226948 0.0000000 1.8954792 8 Zr 2.7141186 0.0000000 0.0081375 0.0000000 6.0074342 0.0000000 0.0226948 0.0000000 1.8954792 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 109, 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] [-0.0012 0.0000 0.0099] [ 0.0012 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 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:38:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:38:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.083516073420348 0.000000000000000 0.000000000000000 b 0.000000000000000 3.601144360000000 0.000000000000000 c -1.117064787398405 0.000000000000000 8.930955008418211 Atomic positions (fractional): 1 S 0.88038978728013 0.75000000000000 0.67161417883472 32.065 2 S 0.11961021271987 0.25000000000000 0.32838582116528 32.065 3 S 0.23770017829426 0.25000000000000 0.94464273363585 32.065 4 S 0.76229982170574 0.75000000000000 0.05535726636415 32.065 5 S 0.52679003902655 0.25000000000000 0.32709820994895 32.065 6 S 0.47320996097345 0.75000000000000 0.67290179005105 32.065 7 Zr 0.28374987040982 0.75000000000000 0.15362522605493 91.224 8 Zr 0.71625012959018 0.25000000000000 0.84637477394507 91.224 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.250548220261045 0.000000000000000 0.000000000000000 b 0.000000000000000 10.803433080000001 0.000000000000000 c -2.234129574796810 0.000000000000000 17.861910016836422 Atomic positions (fractional): 1 S 0.29346326242671 0.25000000000000 0.33580708941736 32.065 > 1 2 S 0.62679659576004 0.25000000000000 0.33580708941736 32.065 > 1 3 S 0.96012992909338 0.25000000000000 0.33580708941736 32.065 > 1 4 S 0.29346326242671 0.58333333333333 0.33580708941736 32.065 > 1 5 S 0.62679659576004 0.58333333333333 0.33580708941736 32.065 > 1 6 S 0.96012992909338 0.58333333333333 0.33580708941736 32.065 > 1 7 S 0.29346326242671 0.91666666666667 0.33580708941736 32.065 > 1 8 S 0.62679659576004 0.91666666666667 0.33580708941736 32.065 > 1 9 S 0.96012992909338 0.91666666666667 0.33580708941736 32.065 > 1 10 S 0.29346326242671 0.25000000000000 0.83580708941736 32.065 > 1 11 S 0.62679659576004 0.25000000000000 0.83580708941736 32.065 > 1 12 S 0.96012992909338 0.25000000000000 0.83580708941736 32.065 > 1 13 S 0.29346326242671 0.58333333333333 0.83580708941736 32.065 > 1 14 S 0.62679659576004 0.58333333333333 0.83580708941736 32.065 > 1 15 S 0.96012992909338 0.58333333333333 0.83580708941736 32.065 > 1 16 S 0.29346326242671 0.91666666666667 0.83580708941736 32.065 > 1 17 S 0.62679659576004 0.91666666666667 0.83580708941736 32.065 > 1 18 S 0.96012992909338 0.91666666666667 0.83580708941736 32.065 > 1 19 S 0.03987007090662 0.08333333333333 0.16419291058264 32.065 > 19 20 S 0.37320340423996 0.08333333333333 0.16419291058264 32.065 > 19 21 S 0.70653673757329 0.08333333333333 0.16419291058264 32.065 > 19 22 S 0.03987007090662 0.41666666666667 0.16419291058264 32.065 > 19 23 S 0.37320340423996 0.41666666666667 0.16419291058264 32.065 > 19 24 S 0.70653673757329 0.41666666666667 0.16419291058264 32.065 > 19 25 S 0.03987007090662 0.75000000000000 0.16419291058264 32.065 > 19 26 S 0.37320340423996 0.75000000000000 0.16419291058264 32.065 > 19 27 S 0.70653673757329 0.75000000000000 0.16419291058264 32.065 > 19 28 S 0.03987007090662 0.08333333333333 0.66419291058264 32.065 > 19 29 S 0.37320340423996 0.08333333333333 0.66419291058264 32.065 > 19 30 S 0.70653673757329 0.08333333333333 0.66419291058264 32.065 > 19 31 S 0.03987007090662 0.41666666666667 0.66419291058264 32.065 > 19 32 S 0.37320340423996 0.41666666666667 0.66419291058264 32.065 > 19 33 S 0.70653673757329 0.41666666666667 0.66419291058264 32.065 > 19 34 S 0.03987007090662 0.75000000000000 0.66419291058264 32.065 > 19 35 S 0.37320340423996 0.75000000000000 0.66419291058264 32.065 > 19 36 S 0.70653673757329 0.75000000000000 0.66419291058264 32.065 > 19 37 S 0.07923339276475 0.08333333333333 0.47232136681793 32.065 > 37 38 S 0.41256672609809 0.08333333333333 0.47232136681793 32.065 > 37 39 S 0.74590005943142 0.08333333333333 0.47232136681793 32.065 > 37 40 S 0.07923339276475 0.41666666666667 0.47232136681793 32.065 > 37 41 S 0.41256672609809 0.41666666666667 0.47232136681793 32.065 > 37 42 S 0.74590005943142 0.41666666666667 0.47232136681793 32.065 > 37 43 S 0.07923339276475 0.75000000000000 0.47232136681793 32.065 > 37 44 S 0.41256672609809 0.75000000000000 0.47232136681793 32.065 > 37 45 S 0.74590005943142 0.75000000000000 0.47232136681793 32.065 > 37 46 S 0.07923339276475 0.08333333333333 0.97232136681793 32.065 > 37 47 S 0.41256672609809 0.08333333333333 0.97232136681793 32.065 > 37 48 S 0.74590005943142 0.08333333333333 0.97232136681793 32.065 > 37 49 S 0.07923339276475 0.41666666666667 0.97232136681793 32.065 > 37 50 S 0.41256672609809 0.41666666666667 0.97232136681793 32.065 > 37 51 S 0.74590005943142 0.41666666666667 0.97232136681793 32.065 > 37 52 S 0.07923339276475 0.75000000000000 0.97232136681793 32.065 > 37 53 S 0.41256672609809 0.75000000000000 0.97232136681793 32.065 > 37 54 S 0.74590005943142 0.75000000000000 0.97232136681793 32.065 > 37 55 S 0.25409994056858 0.25000000000000 0.02767863318207 32.065 > 55 56 S 0.58743327390191 0.25000000000000 0.02767863318207 32.065 > 55 57 S 0.92076660723525 0.25000000000000 0.02767863318207 32.065 > 55 58 S 0.25409994056858 0.58333333333333 0.02767863318207 32.065 > 55 59 S 0.58743327390191 0.58333333333333 0.02767863318207 32.065 > 55 60 S 0.92076660723525 0.58333333333333 0.02767863318207 32.065 > 55 61 S 0.25409994056858 0.91666666666667 0.02767863318207 32.065 > 55 62 S 0.58743327390191 0.91666666666667 0.02767863318207 32.065 > 55 63 S 0.92076660723525 0.91666666666667 0.02767863318207 32.065 > 55 64 S 0.25409994056858 0.25000000000000 0.52767863318207 32.065 > 55 65 S 0.58743327390191 0.25000000000000 0.52767863318207 32.065 > 55 66 S 0.92076660723525 0.25000000000000 0.52767863318207 32.065 > 55 67 S 0.25409994056858 0.58333333333333 0.52767863318207 32.065 > 55 68 S 0.58743327390191 0.58333333333333 0.52767863318207 32.065 > 55 69 S 0.92076660723525 0.58333333333333 0.52767863318207 32.065 > 55 70 S 0.25409994056858 0.91666666666667 0.52767863318207 32.065 > 55 71 S 0.58743327390191 0.91666666666667 0.52767863318207 32.065 > 55 72 S 0.92076660723525 0.91666666666667 0.52767863318207 32.065 > 55 73 S 0.17559667967552 0.08333333333333 0.16354910497447 32.065 > 73 74 S 0.50893001300885 0.08333333333333 0.16354910497447 32.065 > 73 75 S 0.84226334634218 0.08333333333333 0.16354910497447 32.065 > 73 76 S 0.17559667967552 0.41666666666667 0.16354910497447 32.065 > 73 77 S 0.50893001300885 0.41666666666667 0.16354910497447 32.065 > 73 78 S 0.84226334634218 0.41666666666667 0.16354910497447 32.065 > 73 79 S 0.17559667967552 0.75000000000000 0.16354910497447 32.065 > 73 80 S 0.50893001300885 0.75000000000000 0.16354910497447 32.065 > 73 81 S 0.84226334634218 0.75000000000000 0.16354910497447 32.065 > 73 82 S 0.17559667967552 0.08333333333333 0.66354910497447 32.065 > 73 83 S 0.50893001300885 0.08333333333333 0.66354910497447 32.065 > 73 84 S 0.84226334634218 0.08333333333333 0.66354910497447 32.065 > 73 85 S 0.17559667967552 0.41666666666667 0.66354910497447 32.065 > 73 86 S 0.50893001300885 0.41666666666667 0.66354910497447 32.065 > 73 87 S 0.84226334634218 0.41666666666667 0.66354910497447 32.065 > 73 88 S 0.17559667967552 0.75000000000000 0.66354910497447 32.065 > 73 89 S 0.50893001300885 0.75000000000000 0.66354910497447 32.065 > 73 90 S 0.84226334634218 0.75000000000000 0.66354910497447 32.065 > 73 91 S 0.15773665365782 0.25000000000000 0.33645089502553 32.065 > 91 92 S 0.49106998699115 0.25000000000000 0.33645089502553 32.065 > 91 93 S 0.82440332032448 0.25000000000000 0.33645089502553 32.065 > 91 94 S 0.15773665365782 0.58333333333333 0.33645089502553 32.065 > 91 95 S 0.49106998699115 0.58333333333333 0.33645089502553 32.065 > 91 96 S 0.82440332032448 0.58333333333333 0.33645089502553 32.065 > 91 97 S 0.15773665365782 0.91666666666667 0.33645089502553 32.065 > 91 98 S 0.49106998699115 0.91666666666667 0.33645089502553 32.065 > 91 99 S 0.82440332032448 0.91666666666667 0.33645089502553 32.065 > 91 100 S 0.15773665365782 0.25000000000000 0.83645089502553 32.065 > 91 101 S 0.49106998699115 0.25000000000000 0.83645089502553 32.065 > 91 102 S 0.82440332032448 0.25000000000000 0.83645089502553 32.065 > 91 103 S 0.15773665365782 0.58333333333333 0.83645089502553 32.065 > 91 104 S 0.49106998699115 0.58333333333333 0.83645089502553 32.065 > 91 105 S 0.82440332032448 0.58333333333333 0.83645089502553 32.065 > 91 106 S 0.15773665365782 0.91666666666667 0.83645089502553 32.065 > 91 107 S 0.49106998699115 0.91666666666667 0.83645089502553 32.065 > 91 108 S 0.82440332032448 0.91666666666667 0.83645089502553 32.065 > 91 109 Zr 0.09458329013661 0.25000000000000 0.07681261302747 91.224 > 109 110 Zr 0.42791662346994 0.25000000000000 0.07681261302747 91.224 > 109 111 Zr 0.76124995680327 0.25000000000000 0.07681261302747 91.224 > 109 112 Zr 0.09458329013661 0.58333333333333 0.07681261302747 91.224 > 109 113 Zr 0.42791662346994 0.58333333333333 0.07681261302747 91.224 > 109 114 Zr 0.76124995680327 0.58333333333333 0.07681261302747 91.224 > 109 115 Zr 0.09458329013661 0.91666666666667 0.07681261302747 91.224 > 109 116 Zr 0.42791662346994 0.91666666666667 0.07681261302747 91.224 > 109 117 Zr 0.76124995680327 0.91666666666667 0.07681261302747 91.224 > 109 118 Zr 0.09458329013661 0.25000000000000 0.57681261302747 91.224 > 109 119 Zr 0.42791662346994 0.25000000000000 0.57681261302747 91.224 > 109 120 Zr 0.76124995680327 0.25000000000000 0.57681261302747 91.224 > 109 121 Zr 0.09458329013661 0.58333333333333 0.57681261302747 91.224 > 109 122 Zr 0.42791662346994 0.58333333333333 0.57681261302747 91.224 > 109 123 Zr 0.76124995680327 0.58333333333333 0.57681261302747 91.224 > 109 124 Zr 0.09458329013661 0.91666666666667 0.57681261302747 91.224 > 109 125 Zr 0.42791662346994 0.91666666666667 0.57681261302747 91.224 > 109 126 Zr 0.76124995680327 0.91666666666667 0.57681261302747 91.224 > 109 127 Zr 0.23875004319673 0.08333333333333 0.42318738697253 91.224 > 127 128 Zr 0.57208337653006 0.08333333333333 0.42318738697253 91.224 > 127 129 Zr 0.90541670986339 0.08333333333333 0.42318738697253 91.224 > 127 130 Zr 0.23875004319673 0.41666666666667 0.42318738697253 91.224 > 127 131 Zr 0.57208337653006 0.41666666666667 0.42318738697253 91.224 > 127 132 Zr 0.90541670986339 0.41666666666667 0.42318738697253 91.224 > 127 133 Zr 0.23875004319673 0.75000000000000 0.42318738697253 91.224 > 127 134 Zr 0.57208337653006 0.75000000000000 0.42318738697253 91.224 > 127 135 Zr 0.90541670986339 0.75000000000000 0.42318738697253 91.224 > 127 136 Zr 0.23875004319673 0.08333333333333 0.92318738697253 91.224 > 127 137 Zr 0.57208337653006 0.08333333333333 0.92318738697253 91.224 > 127 138 Zr 0.90541670986339 0.08333333333333 0.92318738697253 91.224 > 127 139 Zr 0.23875004319673 0.41666666666667 0.92318738697253 91.224 > 127 140 Zr 0.57208337653006 0.41666666666667 0.92318738697253 91.224 > 127 141 Zr 0.90541670986339 0.41666666666667 0.92318738697253 91.224 > 127 142 Zr 0.23875004319673 0.75000000000000 0.92318738697253 91.224 > 127 143 Zr 0.57208337653006 0.75000000000000 0.92318738697253 91.224 > 127 144 Zr 0.90541670986339 0.75000000000000 0.92318738697253 91.224 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.5653386 0.0000000 0.0004491 0.0000000 10.7039021 0.0000000 0.0004471 0.0000000 5.9360446 -------------------------- Born effective charges -------------------------- 1 S -0.2743102 0.0000000 0.1013218 0.0000000 -1.6515382 0.0000000 0.6022088 0.0000000 -0.4330468 2 S -0.2743102 0.0000000 0.1013218 0.0000000 -1.6515382 0.0000000 0.6022088 0.0000000 -0.4330468 3 S -1.9944215 0.0000000 -0.0098073 0.0000000 -2.7358434 0.0000000 -0.0063348 0.0000000 -1.0050792 4 S -1.9944215 0.0000000 -0.0098073 0.0000000 -2.7358434 0.0000000 -0.0063348 0.0000000 -1.0050792 5 S -0.4453869 0.0000000 -0.0996521 0.0000000 -1.6200527 0.0000000 -0.6185688 0.0000000 -0.4573532 6 S -0.4453869 0.0000000 -0.0996521 0.0000000 -1.6200527 0.0000000 -0.6185688 0.0000000 -0.4573532 7 Zr 2.7141186 0.0000000 0.0081375 0.0000000 6.0074342 0.0000000 0.0226948 0.0000000 1.8954792 8 Zr 2.7141186 0.0000000 0.0081375 0.0000000 6.0074342 0.0000000 0.0226948 0.0000000 1.8954792 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yzy) -0.00000000 (yzy) -0.00000000 (yyz) Max drift of fc2: 0.00000000 (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 ... [ 10 14 6 ] 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: 0.76, Number of G-points: 299, Lambda: 0.23 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/256) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.188 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 3.283 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 7.179 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 8.086 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.272 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.692 ( 0.000 0.000 0.000) 0.000 10.325 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.220 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/256) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 21.728 0.000 2.895) 21.920 0.555 ( 27.313 0.000 2.146) 27.398 1.011 ( 48.915 0.000 2.395) 48.973 2.419 ( 21.917 0.000 -4.779) 22.432 2.533 ( 21.507 0.000 3.983) 21.872 2.749 ( -3.434 0.000 -0.395) 3.457 3.414 ( 12.419 0.000 -0.292) 12.423 4.101 ( 7.303 0.000 0.048) 7.303 4.241 ( -2.829 0.000 -1.175) 3.063 4.249 ( 6.497 0.000 -0.082) 6.498 6.425 ( -0.276 0.000 0.036) 0.278 6.467 ( -0.950 0.000 0.068) 0.952 7.273 ( -0.104 0.000 0.118) 0.157 7.306 ( 5.649 0.000 -0.640) 5.685 7.327 ( -0.167 0.000 -0.038) 0.171 8.099 ( 0.164 0.000 -0.322) 0.362 8.207 ( 5.298 0.000 1.652) 5.550 8.256 ( -1.228 0.000 -0.631) 1.381 9.434 ( 1.250 0.000 0.281) 1.281 9.562 ( -12.025 0.000 -0.039) 12.025 9.885 ( 0.545 0.000 -6.527) 6.550 10.359 ( 1.320 0.000 3.888) 4.106 15.199 ( 8.026 0.000 1.752) 8.215 15.306 ( 8.398 0.000 0.046) 8.398 ======================= Grid point 2 (3/256) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 29.794 0.000 3.628) 30.014 1.073 ( 24.573 0.000 1.905) 24.647 1.890 ( 38.660 0.000 1.563) 38.691 2.657 ( -5.496 0.000 -0.694) 5.540 2.926 ( 28.473 0.000 -4.446) 28.818 3.053 ( 28.125 0.000 3.565) 28.350 3.717 ( 17.007 0.000 -0.293) 17.010 4.168 ( -3.601 0.000 -2.005) 4.122 4.289 ( 11.099 0.000 0.037) 11.099 4.416 ( 9.904 0.000 -0.107) 9.905 6.415 ( -0.679 0.000 0.056) 0.682 6.442 ( -1.521 0.000 0.118) 1.525 7.272 ( -0.080 0.000 0.244) 0.257 7.322 ( -0.272 0.000 -0.113) 0.295 7.452 ( 8.788 0.000 -0.440) 8.799 8.083 ( -1.340 0.000 -0.208) 1.357 8.211 ( -2.389 0.000 0.594) 2.461 8.395 ( 12.166 0.000 0.643) 12.183 9.266 ( -17.107 0.000 -0.004) 17.107 9.476 ( 2.950 0.000 -0.003) 2.950 9.867 ( -1.480 0.000 -1.957) 2.453 10.368 ( -1.503 0.000 1.269) 1.967 15.417 ( 13.059 0.000 0.504) 13.069 15.530 ( 13.556 0.000 0.262) 13.558 ======================= Grid point 3 (4/256) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 30.158 0.000 4.176) 30.446 1.523 ( 20.515 0.000 1.603) 20.577 2.483 ( 20.073 0.000 -0.231) 20.074 2.533 ( -6.943 0.000 -0.883) 6.999 3.445 ( 23.930 0.000 -2.820) 24.096 3.593 ( 25.027 0.000 2.271) 25.129 4.012 ( 9.631 0.000 0.830) 9.667 4.130 ( 2.988 0.000 -2.981) 4.221 4.511 ( 10.805 0.000 -0.009) 10.805 4.609 ( 9.049 0.000 -0.070) 9.050 6.398 ( -1.022 0.000 0.022) 1.023 6.412 ( -1.440 0.000 0.160) 1.449 7.272 ( 0.099 0.000 0.366) 0.379 7.315 ( -0.364 0.000 -0.234) 0.433 7.636 ( 9.866 0.000 -0.344) 9.872 8.053 ( -1.594 0.000 -0.042) 1.595 8.169 ( -1.689 0.000 0.175) 1.698 8.662 ( 12.677 0.000 0.539) 12.689 8.925 ( -15.341 0.000 0.014) 15.341 9.542 ( 2.958 0.000 -0.511) 3.002 9.820 ( -2.354 0.000 -0.387) 2.386 10.300 ( -5.527 0.000 1.012) 5.619 15.682 ( 12.903 0.000 -0.090) 12.903 15.806 ( 13.460 0.000 0.492) 13.468 ======================= Grid point 4 (5/256) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( 15.857 0.000 1.317) 15.911 1.972 ( 25.722 0.000 4.275) 26.075 2.377 ( -8.754 0.000 -0.994) 8.810 2.653 ( -1.854 0.000 -2.479) 3.096 3.821 ( 14.282 0.000 -1.241) 14.336 4.010 ( 14.713 0.000 -0.042) 14.713 4.082 ( 3.028 0.000 2.231) 3.761 4.263 ( 5.489 0.000 -2.163) 5.900 4.692 ( 7.151 0.000 -0.046) 7.151 4.749 ( 4.686 0.000 -0.006) 4.686 6.378 ( -0.868 0.000 -0.017) 0.868 6.390 ( -0.780 0.000 0.133) 0.791 7.277 ( 0.290 0.000 0.405) 0.498 7.307 ( -0.422 0.000 -0.322) 0.531 7.832 ( 9.708 0.000 -0.070) 9.708 8.023 ( -1.524 0.000 0.153) 1.531 8.157 ( 0.944 0.000 -0.507) 1.071 8.538 ( -15.777 0.000 0.332) 15.781 9.020 ( 15.397 0.000 -0.041) 15.397 9.517 ( -6.673 0.000 0.100) 6.674 9.836 ( 5.176 0.000 -0.921) 5.257 10.164 ( -8.260 0.000 1.303) 8.362 15.892 ( 7.895 0.000 -0.219) 7.898 16.027 ( 8.252 0.000 0.411) 8.262 ======================= Grid point 5 (6/256) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.352 ( -0.000 0.000 -0.000) 0.000 2.504 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 -0.000) 0.000 4.235 ( -0.000 0.000 -0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.787 ( -0.000 0.000 0.000) 0.000 6.369 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 7.282 ( 0.000 0.000 0.000) 0.000 7.301 ( -0.000 0.000 -0.000) 0.000 7.971 ( 0.000 0.000 -0.000) 0.000 7.984 ( 0.000 0.000 0.000) 0.000 8.219 ( 0.000 0.000 0.000) 0.000 8.304 ( 0.000 0.000 0.000) 0.000 9.305 ( 0.000 0.000 -0.000) 0.000 9.317 ( -0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 -0.000) 0.000 10.022 ( -0.000 0.000 0.000) 0.000 15.972 ( 0.000 0.000 0.000) 0.000 16.112 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/256) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 0.000 23.896 0.000) 23.896 0.484 ( 0.000 26.690 0.000) 26.690 1.195 ( 0.000 58.911 0.000) 58.911 2.177 ( 0.000 -0.916 0.000) 0.916 2.244 ( 0.000 -2.689 0.000) 2.689 3.048 ( 0.000 -14.930 0.000) 14.930 3.054 ( 0.000 24.903 0.000) 24.903 4.209 ( 0.000 -4.888 0.000) 4.888 4.360 ( 0.000 16.988 0.000) 16.988 4.437 ( 0.000 31.464 0.000) 31.464 6.596 ( 0.000 11.221 0.000) 11.221 6.605 ( 0.000 11.378 0.000) 11.378 7.209 ( 0.000 2.964 0.000) 2.964 7.403 ( 0.000 12.279 0.000) 12.279 8.040 ( 0.000 -4.527 0.000) 4.527 8.137 ( 0.000 -2.259 0.000) 2.259 8.236 ( 0.000 -3.610 0.000) 3.610 9.224 ( 0.000 -2.453 0.000) 2.453 9.325 ( 0.000 -8.105 0.000) 8.105 9.682 ( 0.000 -0.948 0.000) 0.948 9.716 ( 0.000 4.451 0.000) 4.451 10.255 ( 0.000 -6.812 0.000) 6.812 15.094 ( 0.000 -1.652 0.000) 1.652 15.201 ( 0.000 -1.840 0.000) 1.840 ======================= Grid point 12 (8/256) ======================= q-point: ( 0.10 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 9.610 22.975 0.973) 24.923 0.967 ( 31.865 16.100 1.604) 35.737 1.412 ( 23.100 45.443 1.166) 50.990 2.401 ( 21.657 -1.448 -5.474) 22.385 2.494 ( 21.936 -2.710 4.926) 22.645 3.015 ( -3.007 23.475 -0.376) 23.670 3.191 ( 12.875 -12.600 -0.121) 18.014 4.167 ( -3.422 -5.343 -0.648) 6.378 4.446 ( 7.739 17.604 -0.377) 19.234 4.507 ( 6.876 31.242 -0.128) 31.990 6.581 ( -1.555 10.862 0.206) 10.975 6.585 ( -1.726 11.555 -0.092) 11.684 7.262 ( 4.931 3.131 -0.367) 5.853 7.399 ( -0.438 11.871 0.393) 11.886 8.070 ( 1.164 -2.532 -0.215) 2.795 8.167 ( 3.684 -3.453 0.794) 5.111 8.203 ( -5.275 -0.126 0.189) 5.280 8.390 ( -37.462 37.488 -2.634) 53.063 9.402 ( 1.485 -3.272 0.510) 3.630 9.547 ( -12.311 -1.451 -0.012) 12.396 9.818 ( 3.077 -4.047 -4.157) 6.567 10.294 ( 2.281 -6.179 1.798) 6.828 15.180 ( 8.278 -1.746 0.747) 8.493 15.287 ( 8.429 -1.805 0.076) 8.620 ======================= Grid point 13 (9/256) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 25.100 12.393 2.508) 28.105 1.458 ( 20.367 27.930 1.255) 34.590 2.035 ( 33.685 17.833 1.220) 38.133 2.878 ( 15.507 5.526 -2.493) 16.650 2.953 ( 9.818 14.897 -1.906) 17.943 3.022 ( 25.656 -0.058 3.165) 25.850 3.506 ( 17.760 -12.397 -0.332) 21.661 4.089 ( -3.840 -6.230 -1.277) 7.429 4.634 ( 10.842 19.469 -0.351) 22.288 4.685 ( 10.532 30.324 -0.159) 32.101 6.541 ( -2.280 10.490 0.083) 10.735 6.547 ( -2.228 9.964 0.085) 10.210 7.365 ( 3.716 5.694 -1.106) 6.889 7.395 ( 0.892 9.707 1.110) 9.811 7.847 ( -11.252 28.401 -0.485) 30.553 8.072 ( -1.098 -0.710 -0.307) 1.343 8.187 ( -2.878 -1.511 0.480) 3.286 8.350 ( 12.217 -4.465 0.438) 13.015 9.249 ( -17.005 -1.589 0.001) 17.079 9.443 ( 2.694 -3.139 0.058) 4.137 9.826 ( -0.989 -3.521 -1.691) 4.029 10.314 ( -1.011 -5.196 0.842) 5.360 15.400 ( 13.171 -1.646 0.311) 13.277 15.512 ( 13.583 -1.752 0.253) 13.698 ======================= Grid point 14 (10/256) ======================= q-point: ( 0.30 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 27.847 6.441 3.194) 28.760 1.830 ( 17.199 26.062 1.151) 31.247 2.578 ( 19.073 10.670 -0.464) 21.860 2.813 ( -5.959 24.936 -0.099) 25.638 3.427 ( 23.666 -1.218 -3.005) 23.888 3.537 ( 23.324 -4.002 2.162) 23.763 3.834 ( 14.272 -10.880 -0.191) 17.948 4.037 ( -0.083 -6.391 -1.278) 6.518 4.847 ( 10.332 21.278 -0.255) 23.655 4.892 ( 9.841 28.926 -0.112) 30.554 6.498 ( -2.046 9.077 -0.049) 9.305 6.502 ( -2.125 8.453 0.213) 8.718 7.376 ( -0.144 9.662 0.250) 9.666 7.430 ( 0.201 8.849 -0.128) 8.852 7.793 ( 3.922 14.766 -0.177) 15.279 8.045 ( -1.404 -0.596 -0.227) 1.542 8.139 ( -1.951 -2.755 0.345) 3.394 8.620 ( 13.270 -4.143 0.412) 13.908 8.912 ( -15.435 -1.058 -0.029) 15.471 9.503 ( 2.748 -3.607 -0.503) 4.563 9.785 ( -2.247 -3.292 -0.350) 4.001 10.254 ( -5.227 -4.543 0.823) 6.974 15.666 ( 12.980 -1.506 -0.107) 13.068 15.788 ( 13.457 -1.748 0.440) 13.577 ======================= Grid point 15 (11/256) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.969 ( 22.814 3.465 3.053) 23.277 2.130 ( 12.515 21.282 0.923) 24.706 2.681 ( -5.992 24.490 -0.751) 25.224 2.756 ( -0.860 12.215 -1.543) 12.342 3.795 ( 13.794 -1.937 -1.271) 13.987 3.905 ( 12.358 -6.736 -0.019) 14.075 4.013 ( 5.148 -6.239 1.870) 8.302 4.114 ( 6.236 -7.779 -1.571) 10.093 5.017 ( 6.566 23.396 -0.159) 24.301 5.047 ( 5.495 27.217 -0.028) 27.766 6.462 ( -1.383 7.840 -0.047) 7.962 6.470 ( -1.142 7.480 0.149) 7.568 7.378 ( 0.271 9.348 0.431) 9.362 7.416 ( -1.026 9.585 -0.260) 9.643 7.923 ( 7.603 8.888 -0.136) 11.697 8.020 ( -0.963 -0.506 -0.049) 1.089 8.124 ( 1.096 -3.105 -0.047) 3.293 8.531 ( -15.400 -0.514 0.196) 15.409 8.981 ( 15.292 -3.593 -0.108) 15.709 9.478 ( -6.596 -3.681 0.021) 7.554 9.800 ( 5.007 -3.522 -0.812) 6.175 10.122 ( -8.107 -4.159 1.164) 9.186 15.878 ( 7.938 -1.391 -0.197) 8.061 16.009 ( 8.239 -1.787 0.362) 8.438 ======================= Grid point 16 (12/256) ======================= q-point: (-0.50 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.000 11.260 0.000) 11.260 2.272 ( -0.000 6.700 0.000) 6.700 2.602 ( 0.000 22.746 0.000) 22.746 2.683 ( 0.000 18.528 0.000) 18.528 3.944 ( 0.000 -2.634 0.000) 2.634 3.992 ( -0.000 -5.586 0.000) 5.586 4.101 ( 0.000 -8.039 -0.000) 8.039 4.173 ( 0.000 -6.328 0.000) 6.328 5.087 ( -0.000 25.467 0.000) 25.467 5.099 ( 0.000 25.399 0.000) 25.399 6.448 ( 0.000 7.375 0.000) 7.375 6.459 ( 0.000 7.151 0.000) 7.151 7.385 ( 0.000 9.439 0.000) 9.439 7.401 ( -0.000 9.143 -0.000) 9.143 8.003 ( 0.000 0.952 0.000) 0.952 8.015 ( 0.000 3.769 0.000) 3.769 8.217 ( 0.000 0.804 0.000) 0.804 8.283 ( 0.000 -1.586 0.000) 1.586 9.264 ( 0.000 -3.739 -0.000) 3.739 9.279 ( -0.000 -3.530 0.000) 3.530 9.919 ( 0.000 -3.574 -0.000) 3.574 9.979 ( -0.000 -4.164 0.000) 4.164 15.959 ( 0.000 -1.347 0.000) 1.347 16.093 ( 0.000 -1.810 0.000) 1.810 ======================= Grid point 22 (13/256) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.000 27.811 0.000) 27.811 1.050 ( 0.000 29.659 0.000) 29.659 2.156 ( 0.000 0.587 0.000) 0.587 2.191 ( 0.000 -2.163 0.000) 2.163 2.314 ( 0.000 51.263 0.000) 51.263 2.845 ( 0.000 -4.396 0.000) 4.396 3.660 ( 0.000 33.600 0.000) 33.600 4.092 ( 0.000 -5.551 0.000) 5.551 4.802 ( 0.000 26.192 0.000) 26.192 5.123 ( 0.000 35.770 0.000) 35.770 6.863 ( 0.000 13.973 0.000) 13.973 6.881 ( 0.000 14.905 0.000) 14.905 7.286 ( 0.000 4.362 0.000) 4.362 7.712 ( 0.000 17.087 0.000) 17.087 7.909 ( 0.000 -8.574 0.000) 8.574 8.092 ( 0.000 -1.231 0.000) 1.231 8.133 ( 0.000 -6.485 0.000) 6.485 9.140 ( 0.000 -10.031 0.000) 10.031 9.159 ( 0.000 -3.854 0.000) 3.854 9.653 ( 0.000 -1.945 0.000) 1.945 9.792 ( 0.000 2.827 0.000) 2.827 10.072 ( 0.000 -11.006 0.000) 11.006 15.049 ( 0.000 -2.791 0.000) 2.791 15.152 ( 0.000 -2.959 0.000) 2.959 ======================= Grid point 23 (14/256) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 4.402 29.128 0.102) 29.459 1.305 ( 28.677 20.171 1.234) 35.082 2.368 ( 19.986 5.116 -4.227) 21.059 2.397 ( 12.576 32.756 -0.795) 35.096 2.459 ( 19.962 8.696 4.902) 22.319 2.990 ( 13.618 -4.002 -0.369) 14.199 3.636 ( -2.264 33.814 0.050) 33.890 4.048 ( -3.873 -5.465 -0.436) 6.713 4.894 ( 8.690 26.285 -0.149) 27.685 5.184 ( 6.024 35.308 -0.179) 35.819 6.837 ( -2.496 13.405 -0.222) 13.637 6.853 ( -2.560 14.235 0.364) 14.468 7.349 ( 5.854 5.059 -0.288) 7.742 7.686 ( -2.138 14.382 0.841) 14.564 7.993 ( 7.300 -4.837 -0.230) 8.760 8.088 ( -0.073 -2.527 0.364) 2.554 8.115 ( -1.658 -5.990 0.210) 6.218 8.763 ( -22.933 4.508 -0.840) 23.387 9.310 ( 4.025 -5.569 0.742) 6.911 9.505 ( -12.907 -2.844 0.088) 13.217 9.784 ( -0.386 0.343 -2.290) 2.348 10.132 ( 3.940 -9.489 0.352) 10.281 15.134 ( 8.362 -2.784 0.207) 8.815 15.239 ( 8.489 -2.931 0.046) 8.981 ======================= Grid point 24 (15/256) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 17.023 24.186 1.076) 29.596 1.886 ( 27.153 17.314 1.037) 32.220 2.662 ( 16.157 39.247 -0.003) 42.442 2.862 ( 27.030 -1.438 -4.201) 27.392 2.967 ( 26.995 -0.683 3.931) 27.288 3.313 ( 17.232 -1.599 -0.613) 17.317 3.589 ( -1.429 32.422 -0.003) 32.453 3.961 ( -4.211 -5.398 -0.679) 6.880 5.109 ( 12.439 27.086 -0.205) 29.807 5.340 ( 9.198 34.203 -0.210) 35.419 6.773 ( -3.686 12.086 -0.006) 12.635 6.791 ( -3.614 13.214 0.188) 13.700 7.484 ( 7.150 6.449 -0.821) 9.664 7.647 ( -2.002 12.396 1.350) 12.630 8.030 ( -3.008 -2.276 -1.073) 3.922 8.073 ( -1.684 -1.970 1.894) 3.210 8.232 ( 12.857 -6.163 0.305) 14.261 8.365 ( -15.154 12.637 -1.015) 19.758 9.209 ( -16.124 -2.217 0.023) 16.275 9.368 ( 2.424 -4.006 0.237) 4.688 9.761 ( -1.688 -2.247 -1.447) 3.161 10.177 ( 0.068 -8.114 0.232) 8.117 15.356 ( 13.339 -2.689 0.112) 13.607 15.464 ( 13.607 -2.917 0.155) 13.917 ======================= Grid point 25 (16/256) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 22.895 17.721 1.804) 29.008 2.328 ( 17.449 21.072 0.601) 27.366 2.963 ( 12.216 27.166 -1.181) 29.810 3.272 ( 9.157 9.341 -0.426) 13.088 3.460 ( 21.097 2.429 1.157) 21.268 3.559 ( 12.645 15.107 -0.992) 19.725 3.712 ( 13.310 3.006 -0.233) 13.647 3.912 ( 0.375 -4.597 -0.353) 4.626 5.354 ( 11.933 28.238 -0.195) 30.656 5.519 ( 8.378 32.913 -0.098) 33.962 6.702 ( -3.413 10.586 0.266) 11.126 6.718 ( -3.613 12.124 -0.135) 12.652 7.587 ( 2.348 9.565 -1.203) 9.922 7.624 ( -0.208 10.498 1.514) 10.608 7.972 ( -1.295 -2.299 -0.650) 2.718 8.051 ( -0.954 -1.536 1.796) 2.549 8.170 ( -5.274 10.499 -0.700) 11.770 8.511 ( 13.566 -6.133 0.081) 14.888 8.902 ( -13.475 0.715 -0.087) 13.494 9.420 ( 2.378 -4.219 -0.437) 4.863 9.710 ( -2.750 -3.475 -0.417) 4.451 10.133 ( -4.537 -7.233 0.459) 8.550 15.625 ( 13.144 -2.516 -0.071) 13.383 15.740 ( 13.417 -2.983 0.264) 13.748 ======================= Grid point 26 (17/256) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 21.043 13.446 2.022) 25.053 2.562 ( 5.203 19.501 -0.025) 20.184 3.092 ( 2.746 23.123 -2.635) 23.434 3.266 ( -4.670 27.019 1.354) 27.453 3.797 ( 12.761 3.444 -1.510) 13.304 3.848 ( 11.563 2.721 0.515) 11.890 3.918 ( 6.660 -0.811 0.948) 6.775 3.993 ( 6.335 -4.084 -0.536) 7.557 5.556 ( 8.212 29.370 -0.176) 30.497 5.645 ( 3.985 31.663 0.055) 31.913 6.648 ( -2.002 9.627 0.418) 9.842 6.657 ( -2.324 10.816 -0.361) 11.068 7.594 ( 0.005 10.841 0.306) 10.846 7.622 ( -0.816 10.231 -0.020) 10.264 7.971 ( 0.190 -4.702 -1.127) 4.839 8.048 ( -0.288 -4.008 1.356) 4.240 8.145 ( 3.755 10.730 0.037) 11.368 8.525 ( -11.501 -0.478 -0.021) 11.511 8.913 ( 13.768 -1.496 -0.207) 13.851 9.397 ( -6.196 -3.569 -0.224) 7.154 9.709 ( 4.132 -5.134 -0.571) 6.615 10.010 ( -7.721 -6.680 0.834) 10.244 15.840 ( 8.037 -2.354 -0.115) 8.376 15.960 ( 8.191 -3.087 0.219) 8.756 ======================= Grid point 27 (18/256) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -0.000 12.664 -0.000) 12.664 2.507 ( 0.000 13.776 0.000) 13.776 3.139 ( -0.000 27.737 0.000) 27.737 3.181 ( 0.000 27.830 0.000) 27.830 3.930 ( 0.000 2.379 0.000) 2.379 3.950 ( -0.000 3.814 0.000) 3.814 3.999 ( 0.000 -1.002 -0.000) 1.002 4.061 ( 0.000 -4.876 0.000) 4.876 5.658 ( -0.000 30.612 0.000) 30.612 5.667 ( 0.000 30.374 0.000) 30.374 6.629 ( 0.000 9.999 0.000) 9.999 6.632 ( -0.000 9.505 -0.000) 9.505 7.600 ( 0.000 10.816 0.000) 10.816 7.606 ( -0.000 10.197 -0.000) 10.197 7.968 ( 0.000 -4.589 0.000) 4.589 8.043 ( 0.000 -3.025 0.000) 3.025 8.293 ( 0.000 6.104 0.000) 6.104 8.300 ( -0.000 4.149 -0.000) 4.149 9.184 ( 0.000 -3.237 0.000) 3.237 9.205 ( -0.000 -2.714 0.000) 2.714 9.824 ( 0.000 -5.667 -0.000) 5.667 9.868 ( -0.000 -6.640 0.000) 6.640 15.922 ( 0.000 -2.289 0.000) 2.289 16.043 ( 0.000 -3.138 0.000) 3.138 ======================= Grid point 33 (19/256) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 0.000 27.522 0.000) 27.522 1.630 ( 0.000 28.187 0.000) 28.187 2.142 ( 0.000 -1.451 0.000) 1.451 2.175 ( 0.000 1.406 0.000) 1.406 2.874 ( 0.000 7.886 0.000) 7.886 3.201 ( 0.000 31.349 0.000) 31.349 4.077 ( 0.000 8.733 0.000) 8.733 4.309 ( 0.000 30.463 0.000) 30.463 5.354 ( 0.000 28.606 0.000) 28.606 5.811 ( 0.000 32.863 0.000) 32.863 7.092 ( 0.000 8.303 0.000) 8.303 7.142 ( 0.000 10.168 0.000) 10.168 7.364 ( 0.000 2.958 0.000) 2.958 7.707 ( 0.000 -11.526 0.000) 11.526 7.944 ( 0.000 4.009 0.000) 4.009 8.004 ( 0.000 -5.540 0.000) 5.540 8.199 ( 0.000 13.706 0.000) 13.706 8.940 ( 0.000 -9.833 0.000) 9.833 9.085 ( 0.000 -3.167 0.000) 3.167 9.605 ( 0.000 -2.935 0.000) 2.935 9.819 ( 0.000 -0.168 0.000) 0.168 9.847 ( 0.000 -10.869 0.000) 10.869 14.989 ( 0.000 -3.125 0.000) 3.125 15.089 ( 0.000 -3.304 0.000) 3.304 ======================= Grid point 34 (20/256) ======================= q-point: ( 0.10 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.583 28.750 -0.094) 28.972 1.755 ( 21.317 23.880 0.848) 32.022 2.352 ( 20.596 -0.966 -4.315) 21.065 2.422 ( 21.610 0.009 4.139) 22.003 3.017 ( 13.375 7.517 0.133) 15.343 3.250 ( 4.885 28.350 -1.127) 28.790 4.046 ( -2.664 10.520 -0.010) 10.852 4.293 ( -1.637 30.912 0.502) 30.959 5.445 ( 8.711 28.439 0.041) 29.743 5.865 ( 5.273 32.529 -0.236) 32.955 7.059 ( -3.183 8.165 -0.260) 8.767 7.103 ( -3.250 9.944 0.274) 10.465 7.438 ( 6.582 3.163 -0.054) 7.302 7.740 ( 2.390 -8.797 1.089) 9.181 7.958 ( 1.367 0.485 -0.219) 1.467 7.994 ( -0.672 -4.752 -0.474) 4.823 8.199 ( 0.318 13.356 0.406) 13.366 8.733 ( -14.283 -5.061 -0.183) 15.154 9.203 ( 5.958 -4.764 0.470) 7.643 9.440 ( -12.676 -3.400 0.143) 13.125 9.796 ( -1.878 0.126 -1.169) 2.215 9.942 ( 5.636 -9.118 -0.047) 10.720 15.075 ( 8.432 -3.093 0.104) 8.982 15.176 ( 8.505 -3.313 -0.037) 9.128 ======================= Grid point 35 (21/256) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 12.088 27.052 0.444) 29.633 2.247 ( 25.947 19.492 0.877) 32.465 2.833 ( 26.687 -1.590 -3.345) 26.942 2.936 ( 27.485 0.294 2.969) 27.647 3.320 ( 12.403 11.646 1.039) 17.046 3.383 ( 11.620 13.743 -2.918) 18.232 4.003 ( -0.768 16.625 0.219) 16.645 4.255 ( -2.058 31.986 0.771) 32.061 5.666 ( 12.862 28.229 0.051) 31.021 6.002 ( 8.114 31.728 -0.301) 32.750 6.977 ( -4.722 7.875 -0.031) 9.182 7.031 ( -4.089 10.015 0.053) 10.817 7.590 ( 8.321 3.266 -0.438) 8.950 7.772 ( 0.245 -1.194 1.594) 2.006 7.951 ( -1.967 -3.253 -0.213) 3.808 8.008 ( 0.799 -5.228 0.039) 5.289 8.251 ( 6.044 8.359 0.171) 10.316 8.461 ( -12.215 -1.403 -0.122) 12.296 9.179 ( -12.847 -0.189 0.078) 12.848 9.291 ( 3.171 -3.638 0.274) 4.834 9.746 ( -2.907 0.313 -1.129) 3.134 10.011 ( 1.074 -8.183 -0.055) 8.254 15.298 ( 13.485 -2.990 0.117) 13.813 15.401 ( 13.565 -3.372 -0.033) 13.978 ======================= Grid point 36 (22/256) ======================= q-point: ( 0.30 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 17.513 22.459 0.913) 28.495 2.703 ( 18.600 18.311 0.471) 26.105 3.293 ( 17.645 -0.557 -1.734) 17.738 3.405 ( 10.440 10.671 -2.277) 15.101 3.479 ( 16.866 -2.018 2.542) 17.176 3.690 ( 15.104 5.429 -1.137) 16.091 4.047 ( 5.165 24.219 0.539) 24.769 4.228 ( -0.569 32.321 0.641) 32.333 5.921 ( 12.439 28.057 0.034) 30.691 6.159 ( 7.269 30.770 -0.188) 31.618 6.885 ( -4.345 7.505 0.351) 8.680 6.946 ( -4.308 10.079 -0.404) 10.968 7.733 ( 5.301 3.611 -1.377) 6.560 7.772 ( 0.100 3.088 1.637) 3.497 7.903 ( -2.598 -0.898 -0.192) 2.756 7.988 ( -2.348 -4.991 1.239) 5.653 8.284 ( -5.009 -0.579 -0.143) 5.044 8.417 ( 8.209 -2.747 -0.058) 8.657 8.971 ( -6.703 6.671 -0.009) 9.457 9.349 ( 2.818 -3.011 -0.222) 4.130 9.674 ( -4.099 0.119 -0.609) 4.146 9.983 ( -3.821 -7.489 0.171) 8.409 15.571 ( 13.309 -2.832 0.068) 13.607 15.674 ( 13.316 -3.506 0.000) 13.770 ======================= Grid point 37 (23/256) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 17.489 17.586 1.213) 24.832 2.908 ( 0.917 16.119 -0.477) 16.152 3.441 ( 5.346 8.184 -1.826) 9.945 3.578 ( 5.378 6.101 -0.128) 8.134 3.826 ( 12.972 0.506 1.859) 13.115 3.922 ( 8.339 3.352 -1.316) 9.084 4.171 ( 6.059 25.389 0.369) 26.105 4.242 ( 1.487 28.833 0.219) 28.872 6.135 ( 8.861 27.920 0.002) 29.292 6.263 ( 2.822 29.650 -0.033) 29.784 6.821 ( -1.998 7.602 0.589) 7.883 6.866 ( -3.446 9.741 -0.685) 10.355 7.762 ( 0.354 5.307 0.327) 5.329 7.800 ( 0.092 5.924 -0.589) 5.954 7.862 ( -0.988 -3.376 -0.440) 3.545 7.944 ( -2.049 -6.407 1.448) 6.881 8.266 ( 2.723 0.184 0.089) 2.730 8.469 ( -3.382 -5.142 -0.085) 6.155 8.991 ( 8.489 9.054 -0.039) 12.411 9.365 ( -3.289 0.123 -0.446) 3.321 9.622 ( 1.027 -2.819 -0.367) 3.022 9.872 ( -7.175 -6.892 0.462) 9.959 15.789 ( 8.147 -2.681 0.022) 8.577 15.892 ( 8.102 -3.658 0.017) 8.890 ======================= Grid point 38 (24/256) ======================= q-point: (-0.50 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( -0.000 14.537 0.000) 14.537 2.794 ( 0.000 14.602 0.000) 14.602 3.532 ( 0.000 10.362 0.000) 10.362 3.595 ( 0.000 11.511 0.000) 11.511 3.963 ( -0.000 3.169 -0.000) 3.169 4.000 ( 0.000 -0.160 0.000) 0.160 4.247 ( -0.000 25.816 0.000) 25.816 4.254 ( 0.000 24.830 0.000) 24.830 6.257 ( 0.000 27.909 0.000) 27.909 6.258 ( -0.000 28.875 0.000) 28.875 6.813 ( 0.000 8.551 0.000) 8.551 6.819 ( 0.000 8.874 0.000) 8.874 7.778 ( 0.000 6.821 0.000) 6.821 7.779 ( -0.000 6.366 -0.000) 6.366 7.856 ( 0.000 -5.338 -0.000) 5.338 7.925 ( 0.000 -7.330 -0.000) 7.330 8.352 ( 0.000 -1.046 0.000) 1.046 8.368 ( -0.000 -0.181 0.000) 0.181 9.189 ( 0.000 4.348 0.000) 4.348 9.222 ( -0.000 4.801 -0.000) 4.801 9.710 ( -0.000 -5.407 -0.000) 5.407 9.733 ( 0.000 -6.466 0.000) 6.466 15.872 ( 0.000 -2.617 0.000) 2.617 15.974 ( 0.000 -3.727 0.000) 3.727 ======================= Grid point 44 (25/256) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 0.000 9.095 0.000) 9.095 2.100 ( 0.000 -2.644 0.000) 2.644 2.150 ( 0.000 23.929 0.000) 23.929 2.353 ( 0.000 19.754 0.000) 19.754 3.107 ( 0.000 14.359 0.000) 14.359 3.448 ( 0.000 -0.739 0.000) 0.739 4.533 ( 0.000 30.418 0.000) 30.418 4.823 ( 0.000 20.457 0.000) 20.457 5.906 ( 0.000 26.425 0.000) 26.425 6.399 ( 0.000 25.789 0.000) 25.789 7.203 ( 0.000 3.972 0.000) 3.972 7.254 ( 0.000 1.712 0.000) 1.712 7.386 ( 0.000 -0.908 0.000) 0.908 7.465 ( 0.000 -12.401 0.000) 12.401 7.960 ( 0.000 1.582 0.000) 1.582 7.992 ( 0.000 2.190 0.000) 2.190 8.473 ( 0.000 11.323 0.000) 11.323 8.757 ( 0.000 -8.599 0.000) 8.599 9.049 ( 0.000 -0.263 0.000) 0.263 9.537 ( 0.000 -3.889 0.000) 3.889 9.669 ( 0.000 -6.615 0.000) 6.615 9.787 ( 0.000 -2.913 0.000) 2.913 14.930 ( 0.000 -2.637 0.000) 2.637 15.024 ( 0.000 -3.195 0.000) 3.195 ======================= Grid point 45 (26/256) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 20.146 10.723 0.113) 22.822 2.185 ( 4.023 24.313 0.211) 24.645 2.321 ( 20.548 -2.006 -0.365) 20.649 2.537 ( 17.603 15.374 0.569) 23.378 3.233 ( 11.871 13.197 0.005) 17.751 3.454 ( 0.688 -1.158 -1.033) 1.698 4.534 ( 0.440 30.820 -0.221) 30.824 4.816 ( -0.733 20.923 0.797) 20.951 5.992 ( 8.150 25.959 0.204) 27.210 6.448 ( 4.744 25.541 -0.272) 25.979 7.172 ( -2.904 4.349 -0.258) 5.236 7.222 ( -2.584 2.344 0.002) 3.489 7.456 ( 6.173 -1.308 0.172) 6.313 7.517 ( 4.596 -12.158 0.602) 13.011 7.952 ( -0.659 1.530 -0.331) 1.699 7.990 ( -0.333 2.044 0.071) 2.072 8.447 ( -2.476 9.349 -0.155) 9.672 8.617 ( -11.050 -5.964 0.265) 12.559 9.136 ( 5.923 -1.726 0.098) 6.171 9.386 ( -9.756 -1.597 0.156) 9.887 9.773 ( 0.677 -3.156 -0.466) 3.261 9.786 ( 4.578 -5.868 -0.141) 7.444 15.017 ( 8.490 -2.616 0.107) 8.884 15.111 ( 8.472 -3.219 -0.114) 9.064 ======================= Grid point 46 (27/256) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.312 ( 9.147 22.865 0.355) 24.630 2.615 ( 25.394 14.512 0.670) 29.256 2.806 ( 26.543 -0.339 -1.397) 26.582 2.981 ( 24.929 6.274 1.450) 25.747 3.447 ( 2.540 0.407 -1.113) 2.803 3.545 ( 15.251 10.231 -0.756) 18.381 4.563 ( 2.857 30.940 -0.401) 31.075 4.803 ( -0.659 22.197 1.286) 22.244 6.199 ( 11.965 24.662 0.318) 27.413 6.570 ( 7.243 24.794 -0.383) 25.833 7.098 ( -4.274 5.474 -0.109) 6.946 7.164 ( -3.131 3.719 -0.254) 4.868 7.599 ( 7.342 -3.386 -0.268) 8.090 7.624 ( 5.692 -9.338 1.435) 11.029 7.940 ( -0.149 1.552 -0.477) 1.631 7.976 ( -1.263 1.404 0.106) 1.892 8.376 ( -8.107 -1.762 -0.821) 8.337 8.407 ( -5.489 1.624 0.933) 5.800 9.218 ( -6.543 3.947 0.156) 7.643 9.233 ( 3.621 -1.908 0.063) 4.093 9.748 ( -1.768 -0.621 -0.614) 1.972 9.863 ( 1.634 -6.662 -0.103) 6.860 15.242 ( 13.588 -2.557 0.186) 13.827 15.334 ( 13.478 -3.294 -0.199) 13.876 ======================= Grid point 47 (28/256) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 12.724 19.276 0.491) 23.102 3.068 ( 18.045 17.879 0.503) 25.407 3.264 ( 16.715 -1.668 -0.975) 16.826 3.380 ( 12.655 -5.352 0.607) 13.754 3.574 ( 16.559 8.780 -1.106) 18.775 3.854 ( 14.197 10.607 -0.301) 17.725 4.642 ( 4.893 29.414 -0.562) 29.824 4.800 ( -0.021 23.808 1.381) 23.848 6.432 ( 11.036 22.365 0.334) 24.942 6.705 ( 5.788 23.000 -0.297) 23.719 7.016 ( -3.572 7.232 0.245) 8.070 7.101 ( -3.077 5.920 -0.752) 6.714 7.694 ( 2.764 -9.329 0.441) 9.740 7.736 ( 3.770 -1.259 0.551) 4.012 7.929 ( -2.391 1.149 0.027) 2.653 7.969 ( 2.164 3.606 -0.007) 4.206 8.193 ( -7.080 -6.348 -0.031) 9.509 8.380 ( 0.010 -1.665 0.017) 1.665 9.143 ( -0.658 9.228 0.111) 9.252 9.297 ( 3.104 -2.139 -0.097) 3.770 9.698 ( -3.358 1.391 -0.493) 3.668 9.846 ( -3.173 -6.134 0.006) 6.906 15.517 ( 13.426 -2.472 0.211) 13.654 15.605 ( 13.189 -3.414 -0.227) 13.626 ======================= Grid point 48 (29/256) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 12.856 14.517 0.635) 19.402 3.179 ( -4.145 9.212 -0.587) 10.119 3.520 ( 12.429 4.248 0.314) 13.138 3.640 ( 9.971 2.235 -0.811) 10.250 3.911 ( 14.078 8.325 0.279) 16.358 4.062 ( 6.431 10.064 -0.301) 11.947 4.734 ( 4.186 26.917 -0.702) 27.250 4.805 ( 0.091 25.016 1.164) 25.043 6.614 ( 7.099 18.600 0.254) 19.911 6.765 ( 0.058 17.984 -0.105) 17.984 6.983 ( 0.316 11.654 0.514) 11.669 7.046 ( -2.189 9.466 -1.001) 9.767 7.728 ( 0.964 -7.544 0.288) 7.611 7.767 ( 0.075 -2.870 0.259) 2.883 7.888 ( -1.250 1.933 0.084) 2.304 7.955 ( -3.902 4.965 0.136) 6.316 8.181 ( 5.076 -6.615 -0.096) 8.339 8.368 ( -1.939 -4.070 0.047) 4.508 9.196 ( 5.556 9.680 0.110) 11.162 9.357 ( 2.408 -1.435 -0.264) 2.815 9.621 ( -3.396 2.189 -0.296) 4.051 9.749 ( -6.250 -5.229 0.138) 8.150 15.738 ( 8.232 -2.386 0.150) 8.573 15.819 ( 8.001 -3.539 -0.162) 8.751 ======================= Grid point 49 (30/256) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.004 ( -0.000 10.221 0.000) 10.221 3.049 ( 0.000 10.060 0.000) 10.060 3.664 ( 0.000 5.909 0.000) 5.909 3.727 ( 0.000 4.642 -0.000) 4.642 4.086 ( 0.000 8.611 0.000) 8.611 4.093 ( 0.000 9.514 0.000) 9.514 4.784 ( -0.000 24.758 0.000) 24.758 4.803 ( 0.000 26.258 -0.000) 26.258 6.701 ( 0.000 14.313 0.000) 14.313 6.741 ( 0.000 17.001 0.000) 17.001 7.005 ( -0.000 12.070 -0.000) 12.070 7.012 ( 0.000 13.769 0.000) 13.769 7.740 ( 0.000 -4.365 0.000) 4.365 7.764 ( -0.000 -6.687 -0.000) 6.687 7.888 ( 0.000 2.838 0.000) 2.838 7.896 ( 0.000 3.274 -0.000) 3.274 8.278 ( 0.000 -4.440 -0.000) 4.440 8.310 ( -0.000 -3.755 0.000) 3.755 9.307 ( 0.000 5.367 0.000) 5.367 9.342 ( -0.000 5.206 0.000) 5.206 9.628 ( -0.000 -2.373 0.000) 2.373 9.632 ( 0.000 -3.110 0.000) 3.110 15.822 ( 0.000 -2.347 0.000) 2.347 15.900 ( 0.000 -3.597 0.000) 3.597 ======================= Grid point 55 (31/256) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 0.463 0.000) 0.463 2.047 ( 0.000 -2.495 0.000) 2.495 2.569 ( 0.000 18.213 0.000) 18.213 2.836 ( 0.000 25.162 0.000) 25.162 3.351 ( 0.000 -1.585 0.000) 1.585 3.406 ( 0.000 8.777 0.000) 8.777 5.040 ( 0.000 18.112 0.000) 18.112 5.108 ( 0.000 8.717 0.000) 8.717 6.377 ( 0.000 20.390 0.000) 20.390 6.804 ( 0.000 13.708 0.000) 13.708 7.241 ( 0.000 -7.484 0.000) 7.484 7.281 ( 0.000 2.274 0.000) 2.274 7.294 ( 0.000 3.133 0.000) 3.133 7.348 ( 0.000 -0.176 0.000) 0.176 8.034 ( 0.000 4.706 0.000) 4.706 8.035 ( 0.000 1.973 0.000) 1.973 8.603 ( 0.000 -6.748 0.000) 6.748 8.614 ( 0.000 2.844 0.000) 2.844 9.077 ( 0.000 2.954 0.000) 2.954 9.452 ( 0.000 -4.654 0.000) 4.654 9.588 ( 0.000 -1.972 0.000) 1.972 9.713 ( 0.000 -4.237 0.000) 4.237 14.888 ( 0.000 -1.540 0.000) 1.540 14.964 ( 0.000 -2.821 0.000) 2.821 ======================= Grid point 56 (32/256) ======================= q-point: ( 0.10 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.214 ( 21.372 0.241 -1.341) 21.415 2.270 ( 20.041 -2.252 2.260) 20.294 2.620 ( 5.824 18.690 -0.620) 19.587 2.962 ( 12.017 23.238 0.245) 26.162 3.371 ( 1.850 -3.996 -0.499) 4.431 3.509 ( 10.350 11.765 -0.035) 15.670 5.037 ( 0.146 17.371 -1.791) 17.464 5.110 ( -0.005 9.361 1.855) 9.543 6.447 ( 6.544 19.202 0.337) 20.289 6.844 ( 3.931 13.112 -0.230) 13.690 7.257 ( -1.214 2.133 0.760) 2.570 7.270 ( 0.977 2.514 -0.385) 2.724 7.307 ( 2.085 -3.210 -0.570) 3.870 7.412 ( 6.109 -1.985 0.270) 6.429 8.019 ( -1.171 3.895 -0.501) 4.098 8.035 ( -0.357 2.601 0.329) 2.646 8.499 ( -8.583 -4.579 -0.187) 9.730 8.556 ( -5.808 0.844 0.310) 5.878 9.138 ( 4.754 1.786 -0.077) 5.079 9.373 ( -4.873 -0.419 0.103) 4.892 9.673 ( 5.339 -4.328 -0.003) 6.873 9.714 ( 0.107 -3.798 -0.189) 3.804 14.975 ( 8.511 -1.541 0.097) 8.650 15.050 ( 8.437 -2.832 -0.139) 8.901 ======================= Grid point 57 (33/256) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 13.178 5.040 0.224) 14.111 2.742 ( 26.415 0.684 1.668) 26.477 2.885 ( 23.311 10.710 -1.340) 25.689 3.230 ( 11.192 13.613 0.341) 17.626 3.462 ( 10.517 4.752 -0.874) 11.574 3.776 ( 15.660 11.286 -0.046) 19.303 5.048 ( 1.598 15.753 -2.179) 15.983 5.121 ( 0.622 10.546 2.309) 10.814 6.607 ( 8.714 15.688 0.541) 17.954 6.938 ( 4.890 10.893 -0.284) 11.944 7.235 ( -0.977 4.969 0.309) 5.074 7.258 ( -0.939 11.005 -0.928) 11.084 7.393 ( 5.217 -8.964 0.648) 10.392 7.572 ( 9.570 -1.674 0.008) 9.716 7.989 ( -1.555 3.133 -0.403) 3.521 8.019 ( -1.533 2.386 0.138) 2.840 8.311 ( -9.873 -2.793 0.123) 10.261 8.426 ( -6.229 -1.028 0.009) 6.313 9.220 ( 3.234 0.614 -0.068) 3.292 9.302 ( -2.175 3.429 0.139) 4.063 9.716 ( 0.106 -2.460 -0.245) 2.475 9.748 ( 1.903 -4.884 -0.051) 5.241 15.201 ( 13.617 -1.550 0.188) 13.707 15.272 ( 13.414 -2.860 -0.255) 13.718 ======================= Grid point 58 (34/256) ======================= q-point: ( 0.30 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.823 ( 9.732 9.274 0.317) 13.447 3.180 ( 12.207 -5.626 1.119) 13.488 3.367 ( 22.139 6.812 -0.154) 23.164 3.391 ( 12.236 10.401 -1.008) 16.091 3.791 ( 19.240 13.325 -0.288) 23.405 4.078 ( 13.938 11.072 -0.037) 17.800 5.087 ( 2.662 13.695 -1.667) 14.050 5.147 ( 1.483 11.790 1.818) 12.022 6.759 ( 5.988 10.286 0.533) 11.914 6.997 ( 0.315 7.278 -0.110) 7.285 7.229 ( 0.658 9.072 0.237) 9.099 7.258 ( 1.437 12.722 -1.112) 12.851 7.490 ( 4.366 -7.016 0.792) 8.301 7.748 ( 6.364 1.311 0.025) 6.498 7.969 ( -1.144 1.259 -0.362) 1.739 7.983 ( 0.060 0.057 -0.001) 0.082 8.130 ( -7.820 0.214 0.217) 7.826 8.346 ( -1.907 -1.743 -0.043) 2.585 9.270 ( 2.249 -0.521 -0.035) 2.309 9.289 ( 0.818 4.837 0.116) 4.907 9.707 ( -1.264 -0.628 -0.256) 1.434 9.743 ( -2.284 -4.190 -0.065) 4.773 15.477 ( 13.455 -1.574 0.241) 13.549 15.542 ( 13.115 -2.890 -0.308) 13.433 ======================= Grid point 59 (35/256) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.006 ( 8.590 6.998 0.195) 11.081 3.237 ( -1.928 -1.445 0.178) 2.416 3.678 ( 12.574 9.709 0.385) 15.891 3.721 ( 12.328 5.935 -0.708) 13.700 4.128 ( 13.901 12.752 -0.062) 18.864 4.286 ( 6.395 11.544 -0.025) 13.197 5.133 ( 1.969 12.114 -0.739) 12.295 5.181 ( 1.384 12.482 0.842) 12.586 6.839 ( 2.340 6.118 0.303) 6.557 6.962 ( -2.698 5.952 -0.033) 6.535 7.256 ( 1.566 10.127 0.076) 10.247 7.292 ( 1.651 11.923 -0.655) 12.055 7.577 ( 4.534 -3.135 0.658) 5.551 7.768 ( -3.213 2.028 -0.146) 3.802 7.934 ( -1.221 2.314 0.054) 2.617 7.978 ( -3.338 -1.185 0.052) 3.542 8.118 ( 7.022 1.115 -0.360) 7.119 8.320 ( -1.668 -1.022 0.180) 1.965 9.317 ( 2.684 -0.430 -0.021) 2.718 9.334 ( 3.300 2.162 0.116) 3.947 9.661 ( -3.038 0.992 -0.193) 3.202 9.672 ( -4.273 -2.389 -0.071) 4.896 15.698 ( 8.256 -1.600 0.191) 8.412 15.755 ( 7.944 -2.912 -0.232) 8.464 ======================= Grid point 60 (36/256) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.136 ( -0.000 3.555 0.000) 3.555 3.173 ( 0.000 2.838 0.000) 2.838 3.810 ( 0.000 8.369 0.000) 8.369 3.839 ( -0.000 6.708 -0.000) 6.708 4.304 ( 0.000 12.316 0.000) 12.316 4.315 ( -0.000 12.028 0.000) 12.028 5.152 ( 0.000 11.673 0.000) 11.673 5.197 ( 0.000 12.509 0.000) 12.509 6.863 ( 0.000 5.197 0.000) 5.197 6.928 ( 0.000 5.489 0.000) 5.489 7.274 ( 0.000 9.482 0.000) 9.482 7.308 ( -0.000 11.394 0.000) 11.394 7.672 ( 0.000 -0.288 0.000) 0.288 7.679 ( -0.000 -0.277 0.000) 0.277 7.924 ( 0.000 1.790 0.000) 1.790 7.942 ( -0.000 2.153 0.000) 2.153 8.232 ( 0.000 -0.115 -0.000) 0.115 8.272 ( -0.000 0.003 0.000) 0.003 9.355 ( 0.000 -0.207 0.000) 0.207 9.379 ( 0.000 -1.064 0.000) 1.064 9.618 ( 0.000 0.828 0.000) 0.828 9.618 ( -0.000 0.684 -0.000) 0.684 15.782 ( 0.000 -1.610 0.000) 1.610 15.835 ( 0.000 -2.921 0.000) 2.921 ======================= Grid point 66 (37/256) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 0.000 -0.124 0.000) 0.124 2.006 ( 0.000 -1.562 0.000) 1.562 2.875 ( 0.000 12.741 0.000) 12.741 3.235 ( 0.000 -6.768 0.000) 6.768 3.282 ( 0.000 18.863 0.000) 18.863 3.581 ( 0.000 4.599 0.000) 4.599 5.207 ( 0.000 2.463 0.000) 2.463 5.238 ( 0.000 3.267 0.000) 3.267 6.688 ( 0.000 10.486 0.000) 10.486 6.888 ( 0.000 -3.067 0.000) 3.067 7.208 ( 0.000 2.951 0.000) 2.951 7.248 ( 0.000 -1.682 0.000) 1.682 7.419 ( 0.000 7.366 0.000) 7.366 7.446 ( 0.000 6.034 0.000) 6.034 8.073 ( 0.000 2.048 0.000) 2.048 8.112 ( 0.000 2.431 0.000) 2.431 8.504 ( 0.000 -2.493 0.000) 2.493 8.604 ( 0.000 -3.122 0.000) 3.122 9.155 ( 0.000 4.661 0.000) 4.661 9.355 ( 0.000 -5.066 0.000) 5.066 9.570 ( 0.000 -0.119 0.000) 0.119 9.633 ( 0.000 -3.542 0.000) 3.542 14.871 ( 0.000 -0.168 0.000) 0.168 14.914 ( 0.000 -2.158 0.000) 2.158 ======================= Grid point 67 (38/256) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 20.521 -0.381 -0.925) 20.545 2.231 ( 20.614 -1.564 1.803) 20.751 2.929 ( 5.845 12.602 -0.537) 13.902 3.249 ( 2.271 -3.383 -0.245) 4.082 3.409 ( 11.561 15.925 0.247) 19.680 3.684 ( 10.013 4.545 0.077) 10.996 5.200 ( -0.355 2.757 -1.194) 3.026 5.241 ( 0.161 2.757 0.821) 2.881 6.733 ( 4.078 9.505 0.296) 10.347 6.923 ( 3.275 -3.014 -0.036) 4.451 7.239 ( 2.666 1.835 0.253) 3.246 7.273 ( 2.070 -1.018 0.260) 2.321 7.450 ( 2.829 8.197 -1.318) 8.771 7.469 ( 3.372 6.556 0.469) 7.387 8.069 ( -0.473 1.987 -0.227) 2.056 8.100 ( -1.197 2.576 0.213) 2.849 8.425 ( -7.135 -2.020 0.129) 7.416 8.528 ( -6.999 -3.438 -0.016) 7.797 9.196 ( 3.283 3.771 -0.097) 5.001 9.345 ( -0.762 -2.588 0.004) 2.698 9.611 ( 3.390 -1.855 0.083) 3.865 9.641 ( 0.842 -3.167 -0.028) 3.277 14.958 ( 8.494 -0.187 0.045) 8.496 15.000 ( 8.432 -2.149 -0.105) 8.702 ======================= Grid point 68 (39/256) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( 19.947 0.421 0.191) 19.952 2.709 ( 24.217 -2.654 1.471) 24.407 3.128 ( 15.472 10.776 -1.048) 18.884 3.334 ( 6.998 -0.220 -0.419) 7.014 3.707 ( 17.769 14.964 0.304) 23.232 3.945 ( 15.510 4.664 0.134) 16.196 5.198 ( 0.619 2.847 -1.030) 3.090 5.252 ( 0.892 2.052 0.444) 2.281 6.825 ( 4.561 7.150 0.496) 8.495 6.998 ( 3.739 -2.961 -0.064) 4.769 7.285 ( 1.401 0.427 0.634) 1.596 7.315 ( 2.023 0.258 -0.172) 2.046 7.519 ( 4.870 11.656 -0.543) 12.644 7.606 ( 9.593 5.256 -0.442) 10.947 8.049 ( -1.636 2.287 -0.198) 2.819 8.067 ( -2.135 2.637 0.151) 3.396 8.267 ( -8.059 -1.337 0.241) 8.172 8.378 ( -6.754 -3.618 -0.118) 7.663 9.250 ( 1.879 2.221 -0.061) 2.910 9.332 ( -0.472 -0.400 0.074) 0.623 9.664 ( 1.350 -2.302 -0.070) 2.670 9.671 ( 2.053 -2.841 0.019) 3.505 15.183 ( 13.572 -0.250 0.096) 13.575 15.223 ( 13.419 -2.112 -0.190) 13.586 ======================= Grid point 69 (40/256) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.932 ( 10.520 3.234 0.348) 11.011 3.072 ( 10.988 -4.869 1.028) 12.063 3.507 ( 20.592 6.680 -0.823) 21.664 3.554 ( 15.227 4.982 -0.317) 16.024 4.069 ( 17.972 13.193 0.270) 22.296 4.252 ( 14.587 5.393 0.143) 15.553 5.220 ( 1.736 2.590 -0.471) 3.153 5.277 ( 1.534 1.480 -0.106) 2.134 6.897 ( 2.459 4.895 0.546) 5.505 7.047 ( 0.882 -2.205 -0.128) 2.378 7.299 ( 0.128 0.240 0.633) 0.689 7.352 ( 1.754 0.539 -0.394) 1.877 7.622 ( 5.180 12.554 -0.356) 13.585 7.795 ( 7.476 3.197 -0.299) 8.136 8.009 ( -1.564 3.311 0.011) 3.662 8.028 ( -0.960 3.757 -0.160) 3.881 8.134 ( -4.932 -0.244 0.210) 4.943 8.301 ( -1.085 -3.308 -0.097) 3.483 9.274 ( 0.874 0.867 0.041) 1.232 9.330 ( 0.304 -0.307 0.099) 0.443 9.679 ( -0.558 -1.792 -0.102) 1.880 9.683 ( -0.414 -1.859 -0.087) 1.907 15.457 ( 13.383 -0.363 0.136) 13.389 15.492 ( 13.141 -2.036 -0.227) 13.300 ======================= Grid point 70 (41/256) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 6.319 2.816 0.080) 6.919 3.190 ( 2.239 -2.618 0.517) 3.484 3.840 ( 11.532 5.937 0.109) 12.971 3.842 ( 12.348 5.302 -0.525) 13.448 4.377 ( 12.395 11.138 0.167) 16.665 4.480 ( 7.663 6.908 0.082) 10.317 5.255 ( 1.629 2.283 -0.041) 2.805 5.304 ( 1.082 1.065 -0.315) 1.550 6.932 ( 1.249 3.694 0.442) 3.925 7.033 ( -1.775 0.193 -0.218) 1.799 7.303 ( 0.322 -0.848 0.452) 1.014 7.371 ( 0.150 -1.042 -0.332) 1.104 7.710 ( 3.770 10.198 -0.220) 10.875 7.826 ( -2.250 2.748 0.017) 3.552 7.988 ( -0.535 3.458 0.093) 3.500 8.032 ( -1.615 5.936 -0.004) 6.151 8.146 ( 6.718 1.194 -0.423) 6.837 8.302 ( 0.059 -1.678 0.169) 1.688 9.298 ( 1.755 -0.431 0.098) 1.810 9.343 ( 0.682 -1.417 0.076) 1.574 9.643 ( -2.144 -0.641 -0.111) 2.241 9.661 ( -1.902 -0.922 -0.108) 2.116 15.677 ( 8.196 -0.492 0.118) 8.211 15.706 ( 7.974 -1.939 -0.173) 8.208 ======================= Grid point 71 (42/256) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.175 ( -0.000 0.974 0.000) 0.974 3.194 ( 0.000 -0.020 0.000) 0.020 3.959 ( 0.000 5.836 0.000) 5.836 3.965 ( -0.000 5.151 -0.000) 5.151 4.529 ( 0.000 9.116 0.000) 9.116 4.532 ( -0.000 8.846 0.000) 8.846 5.273 ( 0.000 2.171 0.000) 2.171 5.314 ( -0.000 0.885 0.000) 0.885 6.949 ( 0.000 3.241 0.000) 3.241 7.006 ( -0.000 1.698 0.000) 1.698 7.311 ( 0.000 -1.447 0.000) 1.447 7.367 ( -0.000 -2.470 0.000) 2.470 7.772 ( -0.000 6.416 0.000) 6.416 7.774 ( 0.000 6.500 -0.000) 6.500 7.986 ( 0.000 4.615 0.000) 4.615 8.009 ( 0.000 4.548 0.000) 4.548 8.248 ( 0.000 1.032 -0.000) 1.032 8.282 ( -0.000 0.260 0.000) 0.260 9.332 ( -0.000 -1.418 0.000) 1.418 9.341 ( 0.000 -1.994 0.000) 1.994 9.625 ( 0.000 -0.147 0.000) 0.147 9.627 ( -0.000 -0.145 0.000) 0.145 15.760 ( 0.000 -0.554 0.000) 0.554 15.787 ( 0.000 -1.890 0.000) 1.890 ======================= Grid point 77 (43/256) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 -0.509 0.000) 0.509 1.985 ( 0.000 0.509 0.000) 0.509 3.084 ( 0.000 -8.736 0.000) 8.736 3.084 ( 0.000 8.736 0.000) 8.736 3.552 ( 0.000 -7.749 0.000) 7.749 3.552 ( 0.000 7.749 0.000) 7.749 5.242 ( 0.000 -1.382 0.000) 1.382 5.242 ( 0.000 1.382 0.000) 1.382 6.814 ( 0.000 -3.826 0.000) 3.826 6.814 ( 0.000 3.826 0.000) 3.826 7.242 ( 0.000 -0.022 0.000) 0.022 7.242 ( 0.000 0.022 0.000) 0.022 7.510 ( 0.000 -0.639 0.000) 0.639 7.510 ( 0.000 0.639 0.000) 0.639 8.115 ( 0.000 -1.747 0.000) 1.747 8.115 ( 0.000 1.747 0.000) 1.747 8.523 ( 0.000 -3.843 0.000) 3.843 8.523 ( 0.000 3.843 0.000) 3.843 9.253 ( 0.000 -5.117 0.000) 5.117 9.253 ( 0.000 5.117 0.000) 5.117 9.582 ( 0.000 -1.493 0.000) 1.493 9.582 ( 0.000 1.493 0.000) 1.493 14.881 ( 0.000 -1.141 0.000) 1.141 14.881 ( 0.000 1.141 0.000) 1.141 ======================= Grid point 79 (44/256) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.209 ( 20.415 -0.600 0.432) 20.429 2.209 ( 20.415 0.600 0.432) 20.429 3.129 ( 4.698 -7.839 -0.344) 9.145 3.129 ( 4.698 7.839 -0.344) 9.145 3.658 ( 10.339 -7.355 0.204) 12.690 3.658 ( 10.339 7.355 0.204) 12.690 5.239 ( -0.216 -1.588 -0.266) 1.625 5.239 ( -0.216 1.588 -0.266) 1.625 6.849 ( 3.276 -3.750 0.097) 4.980 6.849 ( 3.276 3.750 0.097) 4.980 7.265 ( 1.955 -0.412 0.224) 2.010 7.265 ( 1.955 0.412 0.224) 2.010 7.547 ( 3.948 -0.387 -0.457) 3.993 7.547 ( 3.948 0.387 -0.457) 3.993 8.108 ( -0.771 -1.574 0.100) 1.756 8.108 ( -0.771 1.574 0.100) 1.756 8.446 ( -7.014 -3.785 0.020) 7.970 8.446 ( -7.014 3.785 0.020) 7.970 9.276 ( 1.698 -4.050 -0.064) 4.392 9.276 ( 1.698 4.050 -0.064) 4.392 9.600 ( 1.734 -0.765 0.067) 1.896 9.600 ( 1.734 0.765 0.067) 1.896 14.967 ( 8.459 -1.119 -0.033) 8.532 14.967 ( 8.459 1.119 -0.033) 8.532 ======================= Grid point 81 (45/256) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.662 ( 22.047 -1.773 0.771) 22.132 2.662 ( 22.047 1.773 0.771) 22.132 3.283 ( 11.796 -4.979 -0.637) 12.819 3.283 ( 11.796 4.979 -0.637) 12.819 3.930 ( 16.270 -6.406 0.328) 17.489 3.930 ( 16.270 6.406 0.328) 17.489 5.240 ( 0.553 -1.897 -0.435) 2.023 5.240 ( 0.553 1.897 -0.435) 2.023 6.923 ( 3.595 -3.724 0.204) 5.180 6.923 ( 3.595 3.724 0.204) 5.180 7.304 ( 1.696 -0.889 0.193) 1.925 7.304 ( 1.696 0.889 0.193) 1.925 7.664 ( 7.594 -1.852 -0.578) 7.838 7.664 ( 7.594 1.852 -0.578) 7.838 8.085 ( -1.585 -1.217 0.159) 2.005 8.085 ( -1.585 1.217 0.159) 2.005 8.294 ( -7.236 -4.047 -0.033) 8.291 8.294 ( -7.236 4.047 -0.033) 8.291 9.299 ( 0.519 -2.443 0.003) 2.498 9.299 ( 0.519 2.443 0.003) 2.498 9.640 ( 1.929 -0.134 0.015) 1.934 9.640 ( 1.929 0.134 0.015) 1.934 15.191 ( 13.487 -1.045 -0.051) 13.528 15.191 ( 13.487 1.045 -0.051) 13.528 ======================= Grid point 83 (46/256) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.992 ( 11.176 -3.265 0.667) 11.662 2.992 ( 11.176 3.265 0.667) 11.662 3.591 ( 17.988 -1.321 -0.509) 18.044 3.591 ( 17.988 1.321 -0.509) 18.044 4.259 ( 16.037 -4.984 0.338) 16.797 4.259 ( 16.037 4.984 0.338) 16.797 5.259 ( 1.428 -1.933 -0.451) 2.445 5.259 ( 1.428 1.933 -0.451) 2.445 6.976 ( 1.607 -3.654 0.270) 4.001 6.976 ( 1.607 3.654 0.270) 4.001 7.329 ( 0.666 -1.859 0.023) 1.975 7.329 ( 0.666 1.859 0.023) 1.975 7.799 ( 4.844 -4.161 -0.376) 6.396 7.799 ( 4.844 4.161 -0.376) 6.396 8.057 ( -0.509 -2.063 0.087) 2.126 8.057 ( -0.509 2.063 0.087) 2.126 8.201 ( -1.606 -6.520 -0.077) 6.715 8.201 ( -1.606 6.520 -0.077) 6.715 9.302 ( 0.024 -1.840 0.083) 1.842 9.302 ( 0.024 1.840 0.083) 1.842 9.661 ( -0.004 -0.179 -0.069) 0.192 9.661 ( -0.004 0.179 -0.069) 0.192 15.463 ( 13.253 -0.912 -0.049) 13.284 15.463 ( 13.253 0.912 -0.049) 13.284 ======================= Grid point 85 (47/256) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 4.678 -2.215 0.320) 5.186 3.142 ( 4.678 2.215 0.320) 5.186 3.900 ( 11.836 -0.093 -0.198) 11.838 3.900 ( 11.836 0.093 -0.198) 11.838 4.524 ( 9.951 -2.847 0.219) 10.352 4.524 ( 9.951 2.847 0.219) 10.352 5.286 ( 1.225 -1.584 -0.293) 2.023 5.286 ( 1.225 1.584 -0.293) 2.023 6.993 ( 0.285 -2.810 0.190) 2.831 6.993 ( 0.285 2.810 0.190) 2.831 7.327 ( -0.694 -2.405 -0.038) 2.503 7.327 ( -0.694 2.405 -0.038) 2.503 7.838 ( 0.225 -2.288 -0.096) 2.301 7.838 ( 0.225 2.288 -0.096) 2.301 8.062 ( 0.246 -3.223 -0.071) 3.233 8.062 ( 0.246 3.223 -0.071) 3.233 8.228 ( 3.254 -5.807 -0.037) 6.657 8.228 ( 3.254 5.807 -0.037) 6.657 9.308 ( 0.588 -1.440 0.091) 1.558 9.308 ( 0.588 1.440 0.091) 1.558 9.642 ( -1.550 -0.610 -0.089) 1.668 9.642 ( -1.550 0.610 -0.089) 1.668 15.679 ( 8.079 -0.752 -0.030) 8.114 15.679 ( 8.079 0.752 -0.030) 8.114 ======================= Grid point 87 (48/256) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.188 ( 0.000 -0.486 0.000) 0.486 3.188 ( 0.000 0.486 0.000) 0.486 4.020 ( 0.000 -0.027 0.000) 0.027 4.020 ( 0.000 0.027 0.000) 0.027 4.626 ( 0.000 -0.079 0.000) 0.079 4.626 ( 0.000 0.079 0.000) 0.079 5.299 ( 0.000 -1.255 0.000) 1.255 5.299 ( 0.000 1.255 0.000) 1.255 6.995 ( 0.000 -1.786 0.000) 1.786 6.995 ( 0.000 1.786 0.000) 1.786 7.317 ( 0.000 -1.860 0.000) 1.860 7.317 ( 0.000 1.860 0.000) 1.860 7.838 ( 0.000 -0.114 0.000) 0.114 7.838 ( 0.000 0.114 0.000) 0.114 8.063 ( 0.000 -1.026 0.000) 1.026 8.063 ( 0.000 1.026 0.000) 1.026 8.269 ( 0.000 -1.287 0.000) 1.287 8.269 ( -0.000 1.287 0.000) 1.287 9.317 ( 0.000 -0.211 0.000) 0.211 9.317 ( 0.000 0.211 0.000) 0.211 9.622 ( 0.000 -0.075 0.000) 0.075 9.622 ( 0.000 0.075 -0.000) 0.075 15.761 ( 0.000 -0.671 0.000) 0.671 15.761 ( 0.000 0.671 0.000) 0.671 ======================= Grid point 165 (49/256) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( 6.996 0.000 11.573) 13.523 0.312 ( 1.313 0.000 15.376) 15.432 0.534 ( -2.442 0.000 26.454) 26.566 2.084 ( -1.556 0.000 -6.718) 6.896 2.386 ( 0.902 0.000 7.433) 7.487 2.766 ( -0.103 0.000 -1.883) 1.885 3.269 ( -0.166 0.000 -1.422) 1.432 4.033 ( -0.038 0.000 0.748) 0.749 4.176 ( -0.008 0.000 -0.566) 0.566 4.223 ( -0.405 0.000 -4.822) 4.839 6.431 ( -0.020 0.000 0.425) 0.426 6.475 ( 0.067 0.000 -0.114) 0.132 7.189 ( -0.427 0.000 1.010) 1.096 7.275 ( 0.083 0.000 0.079) 0.115 7.328 ( -0.023 0.000 -0.025) 0.034 8.075 ( 0.012 0.000 -1.079) 1.079 8.216 ( 0.041 0.000 0.529) 0.530 8.276 ( -0.162 0.000 0.408) 0.439 9.253 ( 1.678 0.000 0.409) 1.727 9.420 ( 0.267 0.000 -0.191) 0.328 9.690 ( 0.203 0.000 -0.156) 0.256 10.585 ( -0.549 0.000 0.167) 0.574 15.213 ( -0.044 0.000 -0.590) 0.592 15.229 ( 1.328 0.000 0.139) 1.335 ======================= Grid point 166 (50/256) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 8.026 0.000 21.292) 22.755 0.662 ( 23.054 0.000 7.860) 24.357 1.080 ( 46.332 0.000 4.172) 46.519 2.311 ( 23.172 0.000 -5.367) 23.786 2.635 ( 20.456 0.000 5.947) 21.303 2.724 ( -3.411 0.000 -1.990) 3.949 3.397 ( 12.632 0.000 -1.374) 12.706 4.109 ( 7.191 0.000 0.732) 7.228 4.177 ( -2.827 0.000 -5.162) 5.885 4.242 ( 6.542 0.000 -0.588) 6.568 6.429 ( -0.335 0.000 0.413) 0.531 6.466 ( -0.898 0.000 -0.101) 0.903 7.276 ( 0.007 0.000 0.162) 0.162 7.289 ( 7.181 0.000 -0.513) 7.199 7.325 ( -0.233 0.000 -0.077) 0.245 8.093 ( 0.754 0.000 -0.232) 0.789 8.220 ( 1.910 0.000 -0.451) 1.963 8.269 ( 0.819 0.000 1.634) 1.828 9.434 ( 1.327 0.000 -0.247) 1.350 9.548 ( -5.411 0.000 -2.900) 6.139 9.616 ( 9.829 0.000 -10.024) 14.039 10.491 ( -5.023 0.000 4.921) 7.032 15.247 ( 5.295 0.000 1.667) 5.552 15.309 ( 8.299 0.000 0.370) 8.307 ======================= Grid point 167 (51/256) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 24.552 0.000 11.828) 27.253 1.138 ( 22.903 0.000 4.378) 23.318 1.924 ( 36.847 0.000 1.574) 36.881 2.631 ( -5.371 0.000 -1.877) 5.689 2.847 ( 29.882 0.000 -3.424) 30.077 3.131 ( 26.754 0.000 4.387) 27.111 3.706 ( 17.496 0.000 -0.894) 17.519 4.102 ( -3.057 0.000 -4.569) 5.498 4.296 ( 10.942 0.000 0.626) 10.960 4.410 ( 10.023 0.000 -0.512) 10.036 6.419 ( -0.774 0.000 0.325) 0.840 6.442 ( -1.492 0.000 -0.125) 1.497 7.277 ( 0.051 0.000 0.283) 0.287 7.319 ( -0.388 0.000 -0.195) 0.434 7.448 ( 8.869 0.000 0.111) 8.869 8.085 ( -1.233 0.000 0.433) 1.307 8.202 ( -2.130 0.000 -1.368) 2.532 8.414 ( 11.425 0.000 0.972) 11.467 9.264 ( -17.116 0.000 -0.133) 17.117 9.473 ( 2.681 0.000 -0.292) 2.697 9.766 ( 4.364 0.000 -6.872) 8.141 10.424 ( -3.828 0.000 3.551) 5.221 15.429 ( 11.891 0.000 0.540) 11.903 15.535 ( 13.747 0.000 0.279) 13.750 ======================= Grid point 168 (52/256) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 28.184 0.000 6.643) 28.956 1.567 ( 19.551 0.000 2.701) 19.736 2.473 ( 17.539 0.000 -0.925) 17.564 2.508 ( -6.760 0.000 -1.607) 6.948 3.397 ( 25.449 0.000 -1.893) 25.519 3.650 ( 23.814 0.000 3.401) 24.056 4.027 ( 13.382 0.000 0.493) 13.391 4.060 ( 1.118 0.000 -3.779) 3.941 4.515 ( 10.638 0.000 0.477) 10.648 4.605 ( 9.221 0.000 -0.337) 9.227 6.401 ( -1.142 0.000 0.203) 1.160 6.411 ( -1.431 0.000 -0.202) 1.445 7.280 ( 0.211 0.000 0.424) 0.473 7.309 ( -0.496 0.000 -0.357) 0.611 7.633 ( 9.843 0.000 0.027) 9.843 8.058 ( -1.492 0.000 0.571) 1.597 8.156 ( -1.915 0.000 -1.457) 2.406 8.665 ( 11.556 0.000 -0.280) 11.560 8.927 ( -14.711 0.000 0.126) 14.712 9.536 ( 3.104 0.000 -0.101) 3.106 9.782 ( -0.475 0.000 -3.182) 3.218 10.334 ( -6.227 0.000 2.201) 6.605 15.678 ( 12.493 0.000 -0.234) 12.495 15.814 ( 13.518 0.000 0.304) 13.521 ======================= Grid point 169 (53/256) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.915 ( 15.272 0.000 1.683) 15.365 2.057 ( 24.748 0.000 4.121) 25.089 2.354 ( -8.597 0.000 -1.256) 8.688 2.596 ( -3.561 0.000 -3.161) 4.761 3.804 ( 15.729 0.000 -0.379) 15.733 4.019 ( 8.468 0.000 1.269) 8.563 4.115 ( 9.052 0.000 0.320) 9.058 4.235 ( 5.850 0.000 -0.144) 5.852 4.694 ( 7.004 0.000 0.296) 7.010 4.748 ( 4.858 0.000 -0.093) 4.859 6.379 ( -0.922 0.000 0.090) 0.926 6.388 ( -0.837 0.000 -0.308) 0.892 7.286 ( 0.172 0.000 0.533) 0.560 7.299 ( -0.357 0.000 -0.503) 0.617 7.832 ( 10.073 0.000 0.128) 10.074 8.032 ( -1.394 0.000 0.853) 1.634 8.131 ( 0.394 0.000 -2.064) 2.101 8.532 ( -15.525 0.000 -0.912) 15.552 9.020 ( 14.837 0.000 0.032) 14.837 9.523 ( -6.173 0.000 0.514) 6.194 9.808 ( 5.487 0.000 -1.882) 5.801 10.191 ( -8.656 0.000 1.285) 8.751 15.886 ( 7.983 0.000 -0.399) 7.993 16.033 ( 8.001 0.000 0.135) 8.003 ======================= Grid point 170 (54/256) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -5.810 0.000 0.751) 5.859 2.205 ( 5.552 0.000 -0.612) 5.585 2.343 ( -14.404 0.000 -0.612) 14.417 2.504 ( 13.270 0.000 -0.319) 13.273 3.993 ( 0.789 0.000 1.540) 1.730 4.048 ( 0.306 0.000 -1.587) 1.617 4.240 ( -5.640 0.000 0.663) 5.679 4.300 ( 5.067 0.000 1.668) 5.335 4.774 ( 0.144 0.000 0.146) 0.205 4.788 ( -0.131 0.000 0.107) 0.169 6.370 ( 0.009 0.000 0.053) 0.054 6.378 ( -0.064 0.000 -0.408) 0.413 7.281 ( -0.529 0.000 -0.078) 0.535 7.301 ( 0.461 0.000 0.062) 0.465 7.973 ( 0.481 0.000 0.120) 0.496 7.993 ( -1.327 0.000 0.904) 1.605 8.206 ( 4.096 0.000 -1.147) 4.254 8.285 ( -2.911 0.000 -1.969) 3.515 9.305 ( 12.985 0.000 -0.026) 12.985 9.319 ( -13.259 0.000 0.248) 13.262 9.958 ( 7.276 0.000 0.216) 7.279 10.015 ( -7.358 0.000 -0.616) 7.384 15.969 ( 0.257 0.000 -0.279) 0.379 16.110 ( -0.357 0.000 -0.144) 0.385 ======================= Grid point 171 (55/256) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -15.912 0.000 0.205) 15.913 1.919 ( -25.351 0.000 -1.007) 25.371 2.386 ( 8.623 0.000 -0.099) 8.623 2.681 ( 0.957 0.000 0.342) 1.016 3.836 ( -13.907 0.000 -0.034) 13.907 4.007 ( -15.528 0.000 -0.109) 15.529 4.071 ( -2.381 0.000 1.217) 2.673 4.296 ( -5.462 0.000 1.031) 5.559 4.696 ( -7.117 0.000 0.353) 7.126 4.748 ( -4.734 0.000 -0.097) 4.735 6.380 ( 0.899 0.000 0.106) 0.905 6.384 ( 0.776 0.000 -0.442) 0.893 7.272 ( -0.340 0.000 -0.137) 0.367 7.311 ( 0.417 0.000 0.084) 0.426 7.835 ( -9.610 0.000 0.234) 9.613 8.025 ( 1.590 0.000 0.392) 1.637 8.147 ( -1.283 0.000 -1.395) 1.895 8.523 ( 16.363 0.000 -1.109) 16.401 9.022 ( -15.703 0.000 0.123) 15.704 9.519 ( 7.492 0.000 0.247) 7.496 9.835 ( -6.797 0.000 -1.142) 6.893 10.153 ( 9.014 0.000 0.247) 9.017 15.893 ( -7.773 0.000 -0.195) 7.775 16.020 ( -8.419 0.000 -0.260) 8.423 ======================= Grid point 172 (56/256) ======================= q-point: (-0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -28.495 0.000 1.994) 28.565 1.516 ( -20.459 0.000 0.994) 20.483 2.486 ( -21.128 0.000 0.162) 21.129 2.536 ( 6.798 0.000 -0.595) 6.824 3.467 ( -23.145 0.000 -1.179) 23.175 3.589 ( -25.488 0.000 2.174) 25.580 4.003 ( -8.782 0.000 -0.026) 8.782 4.157 ( -4.257 0.000 -0.253) 4.264 4.516 ( -10.841 0.000 0.477) 10.852 4.608 ( -9.048 0.000 -0.256) 9.051 6.399 ( 0.997 0.000 0.022) 0.997 6.407 ( 1.553 0.000 -0.204) 1.566 7.268 ( -0.052 0.000 -0.066) 0.085 7.318 ( 0.298 0.000 0.001) 0.298 7.643 ( -9.625 0.000 0.381) 9.632 8.058 ( 1.667 0.000 0.480) 1.735 8.151 ( 1.480 0.000 -1.613) 2.189 8.650 ( -12.200 0.000 -0.564) 12.213 8.926 ( 15.053 0.000 0.100) 15.054 9.551 ( -3.581 0.000 0.332) 3.597 9.788 ( 1.993 0.000 -3.513) 4.039 10.308 ( 6.245 0.000 1.736) 6.482 15.682 ( -12.952 0.000 -0.098) 12.952 15.798 ( -13.391 0.000 -0.202) 13.393 ======================= Grid point 173 (57/256) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( -25.125 0.000 8.756) 26.607 1.080 ( -24.103 0.000 2.519) 24.234 1.880 ( -39.167 0.000 0.588) 39.171 2.653 ( 5.349 0.000 -1.086) 5.458 2.942 ( -28.724 0.000 -3.268) 28.910 3.058 ( -27.956 0.000 4.374) 28.296 3.718 ( -17.034 0.000 -0.183) 17.035 4.166 ( 2.919 0.000 -2.311) 3.724 4.294 ( -11.151 0.000 0.561) 11.165 4.414 ( -9.894 0.000 -0.376) 9.901 6.417 ( 0.735 0.000 0.196) 0.760 6.438 ( 1.571 0.000 -0.169) 1.580 7.269 ( 0.136 0.000 -0.007) 0.137 7.323 ( 0.239 0.000 -0.038) 0.242 7.462 ( -8.859 0.000 0.592) 8.879 8.091 ( 1.377 0.000 0.552) 1.484 8.182 ( 1.682 0.000 -2.114) 2.701 8.397 ( -10.959 0.000 0.729) 10.983 9.264 ( 16.991 0.000 -0.116) 16.991 9.472 ( -3.338 0.000 -0.540) 3.381 9.801 ( -0.859 0.000 -7.501) 7.550 10.404 ( 3.000 0.000 4.143) 5.115 15.417 ( -12.953 0.000 0.502) 12.963 15.525 ( -13.403 0.000 -0.160) 13.404 ======================= Grid point 174 (58/256) ======================= q-point: (-0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -9.911 0.000 20.737) 22.983 0.603 ( -24.379 0.000 6.458) 25.220 1.012 ( -47.549 0.000 2.611) 47.621 2.387 ( -24.228 0.000 -5.557) 24.857 2.577 ( -20.092 0.000 6.165) 21.017 2.737 ( 3.276 0.000 -1.541) 3.621 3.408 ( -12.705 0.000 -0.802) 12.730 4.107 ( -7.327 0.000 0.659) 7.356 4.214 ( 2.259 0.000 -3.819) 4.437 4.245 ( -6.507 0.000 -0.480) 6.525 6.428 ( 0.300 0.000 0.354) 0.464 6.464 ( 1.012 0.000 -0.145) 1.023 7.272 ( 0.167 0.000 0.031) 0.169 7.304 ( -7.270 0.000 -0.337) 7.278 7.327 ( 0.158 0.000 -0.028) 0.161 8.101 ( -1.118 0.000 -0.220) 1.139 8.185 ( -0.097 0.000 -0.658) 0.665 8.279 ( -1.317 0.000 1.388) 1.914 9.425 ( -1.104 0.000 -0.705) 1.309 9.555 ( 10.424 0.000 -1.223) 10.496 9.650 ( -13.305 0.000 -15.825) 20.675 10.479 ( 4.585 0.000 7.331) 8.647 15.221 ( -5.883 0.000 2.520) 6.401 15.304 ( -8.299 0.000 -0.101) 8.300 ======================= Grid point 175 (59/256) ======================= q-point: ( 0.00 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 2.426 20.956 4.989) 21.677 0.682 ( -1.608 16.821 16.772) 23.808 1.232 ( 0.392 55.887 3.572) 56.002 2.072 ( -1.464 -0.981 -6.489) 6.724 2.353 ( 1.015 -2.788 7.005) 7.607 3.034 ( -1.599 1.708 -1.291) 2.672 3.048 ( 1.394 9.038 -0.728) 9.173 4.167 ( 0.005 -4.591 -4.111) 6.163 4.356 ( -0.335 17.254 -0.447) 17.263 4.437 ( -0.122 31.389 0.102) 31.390 6.597 ( 0.125 11.655 0.058) 11.656 6.609 ( -0.069 11.440 0.306) 11.445 7.220 ( -0.387 2.955 1.005) 3.145 7.422 ( 0.063 13.601 2.022) 13.751 8.030 ( 0.178 -4.431 -1.063) 4.560 8.126 ( 0.660 -0.263 -1.652) 1.798 8.241 ( -0.057 -3.341 0.472) 3.375 8.870 ( -2.266 42.217 -45.903) 62.406 9.228 ( 3.320 -2.415 0.329) 4.118 9.417 ( -0.605 2.900 -3.302) 4.437 9.681 ( 0.199 -0.969 -0.159) 1.001 10.395 ( -0.460 -13.801 5.039) 14.699 15.132 ( 0.362 -4.363 2.323) 4.956 15.201 ( 0.110 -1.970 -0.033) 1.973 ======================= Grid point 176 (60/256) ======================= q-point: ( 0.10 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 5.712 14.870 14.466) 21.518 1.025 ( 30.581 14.938 4.044) 34.274 1.452 ( 22.491 42.764 2.649) 48.390 2.295 ( 22.910 -1.214 -5.015) 23.484 2.600 ( 20.390 -2.862 5.658) 21.353 3.000 ( -2.931 24.163 -1.040) 24.362 3.181 ( 12.922 -12.303 -0.897) 17.865 4.117 ( -3.387 -4.848 -4.328) 7.328 4.435 ( 7.693 18.029 -0.668) 19.613 4.507 ( 6.868 30.972 0.142) 31.724 6.584 ( -1.342 11.111 0.087) 11.192 6.588 ( -1.939 11.680 0.314) 11.844 7.263 ( 4.149 3.004 0.484) 5.145 7.423 ( -0.413 13.441 2.133) 13.615 8.064 ( 1.853 -2.776 -0.392) 3.361 8.110 ( -9.408 21.917 -9.321) 25.607 8.199 ( -5.218 0.603 -0.759) 5.308 8.284 ( -10.947 15.469 -3.902) 19.348 9.405 ( 1.414 -3.118 -0.295) 3.436 9.535 ( -7.098 -1.078 -2.536) 7.615 9.606 ( 8.876 -0.258 -9.790) 13.217 10.381 ( -1.357 -9.576 4.246) 10.563 15.208 ( 7.092 -3.056 1.485) 7.864 15.288 ( 8.528 -1.950 0.077) 8.748 ======================= Grid point 177 (61/256) ======================= q-point: ( 0.20 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 21.907 8.951 9.038) 25.332 1.503 ( 19.578 26.891 3.123) 33.409 2.057 ( 32.293 16.541 0.781) 36.291 2.820 ( 26.498 -0.514 -2.794) 26.650 2.927 ( -1.641 25.004 -1.328) 25.093 3.090 ( 26.188 -3.233 3.970) 26.684 3.498 ( 17.914 -12.298 -0.522) 21.735 4.036 ( -3.255 -5.424 -3.918) 7.441 4.624 ( 11.061 19.645 -0.530) 22.551 4.686 ( 10.540 30.059 0.236) 31.854 6.544 ( -2.396 10.535 0.259) 10.807 6.548 ( -2.201 10.086 0.054) 10.323 7.352 ( 3.680 4.760 -0.301) 6.024 7.422 ( 0.036 11.778 1.610) 11.888 7.815 ( -7.856 28.384 -2.727) 29.577 8.069 ( -0.942 -1.387 0.058) 1.678 8.175 ( -1.908 -2.250 -1.315) 3.230 8.365 ( 11.208 -4.748 0.784) 12.197 9.247 ( -17.036 -1.601 -0.159) 17.112 9.439 ( 2.414 -3.183 -0.397) 4.015 9.737 ( 3.917 -2.509 -6.197) 7.749 10.357 ( -2.564 -6.372 2.858) 7.439 15.408 ( 12.343 -1.955 0.399) 12.504 15.516 ( 13.786 -1.862 0.173) 13.912 ======================= Grid point 178 (62/256) ======================= q-point: ( 0.30 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 26.271 4.570 5.177) 27.164 1.864 ( 16.563 25.379 2.219) 30.387 2.560 ( 16.598 10.097 -1.334) 19.474 2.809 ( -5.434 26.332 -0.409) 26.890 3.378 ( 25.085 -1.319 -1.947) 25.195 3.585 ( 22.025 -4.600 2.851) 22.680 3.832 ( 15.060 -11.257 -0.095) 18.803 3.997 ( 0.827 -5.288 -2.631) 5.964 4.842 ( 10.558 21.410 -0.204) 23.873 4.894 ( 9.872 28.815 0.334) 30.461 6.499 ( -2.186 8.968 0.146) 9.231 6.504 ( -2.113 8.664 -0.030) 8.918 7.384 ( 0.305 9.047 0.578) 9.070 7.427 ( -0.327 9.936 -0.242) 9.945 7.788 ( 4.169 14.728 -0.310) 15.310 8.044 ( -1.355 -1.312 0.077) 1.887 8.133 ( -1.874 -2.050 -0.895) 2.918 8.621 ( 12.474 -4.389 -0.370) 13.229 8.912 ( -15.063 -1.201 -0.004) 15.111 9.496 ( 2.865 -3.720 -0.210) 4.700 9.750 ( -0.552 -2.962 -2.877) 4.166 10.282 ( -5.697 -5.049 1.874) 7.840 15.663 ( 12.657 -1.509 -0.235) 12.749 15.795 ( 13.518 -1.871 0.239) 13.649 ======================= Grid point 179 (63/256) ======================= q-point: ( 0.40 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 21.324 2.346 2.816) 21.637 2.154 ( 11.825 20.746 1.452) 23.924 2.662 ( -3.763 18.503 -0.952) 18.906 2.722 ( -3.444 19.436 -2.002) 19.840 3.777 ( 15.244 -2.230 -0.559) 15.417 3.918 ( 9.587 -6.664 1.418) 11.761 4.052 ( 7.064 -8.108 2.042) 10.946 4.074 ( 6.960 -6.037 -2.498) 9.546 5.017 ( 6.735 23.474 0.121) 24.422 5.051 ( 5.512 27.256 0.419) 27.810 6.462 ( -1.405 7.752 0.045) 7.878 6.470 ( -1.237 7.674 -0.141) 7.774 7.389 ( 0.134 9.424 0.696) 9.451 7.409 ( -0.982 9.815 -0.447) 9.874 7.921 ( 7.906 8.566 -0.087) 11.657 8.023 ( -0.625 -1.383 0.333) 1.554 8.109 ( 0.460 -1.724 -1.368) 2.248 8.524 ( -15.242 -0.603 -0.879) 15.280 8.979 ( 14.859 -3.753 -0.069) 15.326 9.482 ( -6.066 -3.871 0.419) 7.209 9.774 ( 5.239 -3.278 -1.735) 6.418 10.145 ( -8.405 -4.429 1.143) 9.569 15.872 ( 8.024 -1.337 -0.371) 8.143 16.014 ( 8.023 -1.869 0.104) 8.238 ======================= Grid point 180 (64/256) ======================= q-point: (-0.50 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( -5.182 9.047 -0.035) 10.426 2.280 ( -0.520 9.124 0.594) 9.158 2.593 ( 0.049 22.722 -0.772) 22.735 2.684 ( 4.551 18.758 -0.168) 19.303 3.956 ( 0.415 -3.052 1.139) 3.284 3.986 ( 1.216 -4.934 -0.529) 5.109 4.103 ( -3.323 -8.081 0.239) 8.741 4.178 ( 2.158 -7.131 0.440) 7.464 5.091 ( 0.201 25.553 0.380) 25.557 5.103 ( -0.152 25.419 0.387) 25.422 6.448 ( 0.016 7.284 -0.002) 7.284 6.457 ( -0.075 7.374 -0.221) 7.378 7.384 ( -0.726 9.434 -0.083) 9.462 7.404 ( 0.546 9.315 0.243) 9.334 8.005 ( 0.990 1.318 0.053) 1.650 8.019 ( -1.301 2.817 0.527) 3.147 8.206 ( 2.663 1.073 -0.979) 3.033 8.266 ( -2.043 -1.276 -1.724) 2.962 9.265 ( 12.253 -3.658 0.055) 12.788 9.280 ( -12.387 -3.671 0.122) 12.920 9.921 ( 7.163 -3.630 0.163) 8.032 9.973 ( -7.237 -4.116 -0.575) 8.345 15.956 ( 0.230 -1.332 -0.265) 1.378 16.092 ( -0.313 -1.803 -0.138) 1.835 ======================= Grid point 181 (65/256) ======================= q-point: (-0.40 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( -22.947 4.298 -0.539) 23.352 2.124 ( -12.673 21.970 0.401) 25.366 2.684 ( 6.638 25.662 -0.380) 26.510 2.775 ( -0.164 10.274 0.301) 10.280 3.809 ( -13.140 -1.978 -0.143) 13.288 3.918 ( -14.686 -6.802 1.299) 16.237 3.994 ( -2.822 -5.328 -0.035) 6.029 4.129 ( -6.491 -9.208 0.133) 11.267 5.022 ( -6.641 23.527 0.303) 24.448 5.052 ( -5.476 27.179 0.416) 27.728 6.463 ( 1.408 7.578 -0.087) 7.708 6.467 ( 1.133 7.885 -0.117) 7.967 7.374 ( -0.223 9.431 -0.026) 9.433 7.419 ( 0.886 9.555 0.121) 9.597 7.925 ( -7.700 8.828 0.096) 11.715 8.025 ( 1.163 -0.188 0.404) 1.245 8.109 ( -1.215 -3.748 -1.492) 4.213 8.519 ( 15.742 -0.233 -0.952) 15.773 8.983 ( -15.535 -3.578 0.072) 15.941 9.480 ( 7.369 -3.594 0.268) 8.204 9.798 ( -6.475 -3.572 -1.079) 7.473 10.111 ( 8.800 -4.058 0.193) 9.693 15.878 ( -7.821 -1.410 -0.188) 7.949 16.003 ( -8.390 -1.719 -0.244) 8.567 ======================= Grid point 182 (66/256) ======================= q-point: (-0.30 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -26.544 6.963 1.698) 27.495 1.828 ( -17.171 26.462 0.992) 31.560 2.579 ( -20.110 10.478 -0.297) 22.678 2.812 ( 5.963 24.632 -0.248) 25.345 3.453 ( -22.618 -0.778 -1.332) 22.671 3.530 ( -24.206 -4.421 2.254) 24.710 3.841 ( -14.172 -10.363 0.610) 17.568 4.038 ( -0.070 -7.290 -1.185) 7.386 4.850 ( -10.399 21.411 0.053) 23.803 4.898 ( -9.848 28.888 0.427) 30.523 6.496 ( 2.009 8.631 -0.240) 8.865 6.501 ( 2.231 9.030 0.186) 9.303 7.376 ( 0.442 10.042 0.270) 10.056 7.431 ( -0.233 8.688 -0.063) 8.691 7.794 ( -4.112 14.224 -0.087) 14.807 8.051 ( 1.381 -0.620 0.346) 1.553 8.121 ( 1.914 -2.599 -1.403) 3.520 8.610 ( -12.872 -4.024 -0.568) 13.498 8.913 ( 15.208 -1.076 0.032) 15.246 9.511 ( -3.411 -3.759 0.202) 5.080 9.757 ( 2.035 -2.882 -3.064) 4.673 10.260 ( 5.855 -4.636 1.452) 7.608 15.666 ( -13.002 -1.502 -0.104) 13.089 15.781 ( -13.408 -1.694 -0.205) 13.516 ======================= Grid point 183 (67/256) ======================= q-point: (-0.20 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -21.898 11.412 6.642) 25.571 1.464 ( -20.343 27.744 1.821) 34.451 2.023 ( -33.922 17.811 0.086) 38.314 2.879 ( -11.434 8.577 -1.877) 14.416 2.972 ( -13.339 13.516 -2.284) 19.127 3.019 ( -26.321 -1.737 4.551) 26.768 3.510 ( -18.041 -12.355 0.125) 21.866 4.078 ( 3.528 -6.303 -2.285) 7.576 4.635 ( -10.865 19.601 -0.229) 22.412 4.691 ( -10.600 30.232 0.374) 32.038 6.539 ( 2.261 10.220 -0.085) 10.467 6.548 ( 2.321 10.345 0.231) 10.605 7.377 ( -3.757 5.426 -0.502) 6.619 7.395 ( -0.303 10.404 1.696) 10.545 7.832 ( 9.794 27.845 -1.990) 29.585 8.078 ( 1.155 -1.028 0.371) 1.590 8.156 ( 1.415 -1.826 -2.280) 3.245 8.356 ( -10.372 -3.939 0.780) 11.122 9.248 ( 16.887 -1.606 -0.126) 16.964 9.436 ( -3.145 -3.364 -0.688) 4.656 9.773 ( -0.674 -2.453 -6.344) 6.835 10.343 ( 2.025 -5.822 3.244) 6.966 15.400 ( -13.082 -1.639 0.340) 13.189 15.507 ( -13.464 -1.758 -0.181) 13.580 ======================= Grid point 184 (68/256) ======================= q-point: (-0.10 0.07 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -6.694 16.559 13.741) 22.536 0.976 ( -32.056 14.863 2.502) 35.423 1.420 ( -21.528 45.207 1.934) 50.108 2.369 ( -24.021 -1.413 -5.471) 24.677 2.540 ( -20.004 -2.969 6.257) 21.169 3.011 ( 3.027 24.688 -0.796) 24.886 3.187 ( -13.337 -13.300 -0.503) 18.842 4.140 ( 3.078 -5.030 -3.300) 6.758 4.445 ( -7.743 17.706 -0.457) 19.330 4.511 ( -7.045 31.133 0.234) 31.921 6.579 ( 1.607 11.292 -0.034) 11.406 6.590 ( 1.720 11.343 0.327) 11.477 7.274 ( -4.953 3.018 0.809) 5.856 7.410 ( 0.603 12.734 1.663) 12.856 8.070 ( -2.051 -2.681 -0.324) 3.391 8.113 ( 2.883 7.685 -5.915) 10.117 8.189 ( 10.137 4.986 -1.395) 11.382 8.338 ( 19.344 24.538 -5.557) 31.736 9.387 ( -1.798 -3.754 -1.097) 4.305 9.542 ( 11.291 -1.356 -0.831) 11.402 9.649 ( -10.412 0.690 -13.701) 17.222 10.372 ( 0.537 -9.173 5.740) 10.834 15.192 ( -7.422 -2.336 1.545) 7.933 15.285 ( -8.341 -1.865 -0.146) 8.548 ======================= Grid point 185 (69/256) ======================= q-point: ( 0.00 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 1.080 27.032 2.138) 27.138 1.124 ( -0.947 25.889 7.036) 26.844 2.054 ( -1.299 -0.517 -5.963) 6.124 2.274 ( 0.574 17.640 3.158) 17.930 2.332 ( 0.721 30.799 2.673) 30.923 2.841 ( -0.318 -4.195 -0.410) 4.228 3.657 ( 0.128 33.782 -0.168) 33.783 4.068 ( -0.108 -4.018 -2.434) 4.699 4.801 ( -0.121 26.334 -0.091) 26.334 5.121 ( -0.140 35.655 -0.181) 35.656 6.859 ( -0.080 13.261 -0.140) 13.262 6.889 ( 0.158 15.439 0.542) 15.449 7.296 ( -0.296 4.328 0.964) 4.444 7.747 ( 0.472 16.707 3.566) 17.090 7.901 ( -0.170 -8.278 -0.795) 8.317 8.077 ( 0.269 -3.375 -1.049) 3.545 8.158 ( -0.050 -3.671 2.151) 4.255 9.074 ( -2.792 -5.429 -7.874) 9.964 9.163 ( 3.645 -3.981 0.266) 5.404 9.616 ( -0.199 10.480 -13.228) 16.878 9.652 ( -0.053 -1.836 -0.292) 1.860 10.118 ( -0.348 -13.822 2.704) 14.088 15.059 ( 0.095 -3.374 0.922) 3.499 15.149 ( 0.062 -3.061 -0.292) 3.076 ======================= Grid point 186 (70/256) ======================= q-point: ( 0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 3.452 25.729 6.065) 26.658 1.342 ( 28.379 19.272 2.389) 34.387 2.273 ( 22.314 -0.625 -4.626) 22.797 2.398 ( 9.785 45.205 -0.097) 46.253 2.550 ( 20.107 -0.082 4.473) 20.599 2.984 ( 13.738 -3.834 -0.214) 14.265 3.634 ( -2.260 34.175 -0.075) 34.250 4.018 ( -3.800 -3.691 -2.612) 5.907 4.890 ( 8.575 26.603 -0.232) 27.952 5.181 ( 6.022 35.150 -0.169) 35.663 6.834 ( -2.334 12.811 0.020) 13.022 6.863 ( -2.677 14.707 0.501) 14.957 7.350 ( 5.055 5.098 0.357) 7.188 7.732 ( -2.293 14.517 3.778) 15.175 7.982 ( 7.087 -5.049 -0.873) 8.746 8.076 ( 0.430 -5.190 -1.083) 5.319 8.146 ( -1.618 -2.793 2.387) 4.015 8.701 ( -21.635 8.581 -5.948) 24.022 9.314 ( 4.181 -5.537 -0.356) 6.947 9.502 ( -12.618 -2.516 -0.421) 12.873 9.644 ( 4.229 4.150 -9.738) 11.399 10.164 ( 2.828 -11.539 1.992) 12.046 15.144 ( 8.067 -3.268 0.711) 8.732 15.237 ( 8.624 -3.088 -0.222) 9.163 ======================= Grid point 187 (71/256) ======================= q-point: ( 0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 16.205 21.730 4.569) 27.489 1.917 ( 26.613 16.781 2.006) 31.526 2.652 ( 15.472 37.683 -1.043) 40.749 2.791 ( 28.446 -1.308 -2.982) 28.632 3.037 ( 26.100 -1.586 3.159) 26.339 3.311 ( 17.294 -1.547 0.461) 17.369 3.583 ( -1.863 33.294 -0.396) 33.348 3.931 ( -3.762 -3.569 -2.356) 5.696 5.104 ( 12.497 27.378 -0.239) 30.096 5.338 ( 9.310 34.055 0.001) 35.305 6.775 ( -3.489 11.973 0.211) 12.473 6.797 ( -3.930 13.292 0.278) 13.864 7.468 ( 6.339 6.533 -0.677) 9.128 7.691 ( -2.507 12.413 3.065) 13.030 8.014 ( -2.477 -3.234 -0.644) 4.125 8.112 ( -1.869 -0.324 2.097) 2.827 8.221 ( 12.014 -5.155 -1.189) 13.127 8.330 ( -12.699 12.729 -2.877) 18.209 9.207 ( -16.207 -2.175 -0.180) 16.353 9.364 ( 2.082 -3.942 -0.576) 4.495 9.692 ( 1.725 -1.323 -4.990) 5.443 10.196 ( -0.398 -9.137 1.488) 9.266 15.359 ( 12.960 -2.801 0.199) 13.261 15.465 ( 13.794 -3.130 -0.057) 14.145 ======================= Grid point 188 (72/256) ======================= q-point: ( 0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 22.338 16.175 3.105) 27.754 2.351 ( 16.854 20.550 1.608) 26.626 2.929 ( 10.786 26.038 -2.205) 28.270 3.261 ( 14.242 5.301 -0.513) 15.205 3.500 ( 11.677 15.210 2.370) 19.321 3.539 ( 16.998 7.469 -0.750) 18.582 3.706 ( 13.981 2.339 -0.368) 14.180 3.893 ( 1.299 -3.167 -1.476) 3.728 5.352 ( 12.042 28.387 -0.052) 30.836 5.520 ( 8.519 32.812 0.208) 33.901 6.707 ( -3.304 10.896 0.251) 11.389 6.718 ( -3.878 11.825 0.065) 12.445 7.569 ( 3.471 8.847 -0.759) 9.534 7.653 ( -1.859 11.036 1.555) 11.299 7.959 ( -1.879 -3.112 -0.621) 3.688 8.087 ( -1.057 -0.472 1.833) 2.168 8.147 ( -4.288 11.741 -1.590) 12.601 8.504 ( 13.479 -6.569 -0.782) 15.015 8.900 ( -13.446 0.708 -0.146) 13.466 9.409 ( 2.340 -4.331 -0.531) 4.952 9.682 ( -1.296 -3.232 -2.255) 4.148 10.150 ( -4.621 -7.815 1.164) 9.153 15.623 ( 12.960 -2.405 -0.175) 13.182 15.743 ( 13.495 -3.217 0.064) 13.873 ======================= Grid point 189 (73/256) ======================= q-point: ( 0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 20.546 12.632 2.062) 24.207 2.570 ( 3.784 18.571 0.730) 18.967 3.042 ( 3.315 23.668 -2.194) 24.000 3.289 ( -4.599 27.547 0.912) 27.943 3.772 ( 13.192 4.518 -1.063) 13.985 3.859 ( 10.644 1.935 0.747) 10.844 3.935 ( 8.038 -1.379 0.729) 8.188 3.977 ( 6.264 -3.692 -0.994) 7.339 5.556 ( 8.268 29.380 0.149) 30.522 5.650 ( 4.063 31.590 0.357) 31.852 6.652 ( -2.388 10.515 -0.136) 10.783 6.655 ( -2.045 10.008 0.298) 10.219 7.601 ( 0.480 10.575 0.375) 10.592 7.624 ( -1.379 10.475 0.195) 10.568 7.950 ( 0.659 -5.324 -1.028) 5.462 8.060 ( -1.751 -2.086 -0.112) 2.726 8.148 ( 4.411 10.103 0.290) 11.028 8.518 ( -11.409 -0.407 -0.702) 11.438 8.908 ( 13.639 -1.554 -0.266) 13.730 9.395 ( -5.633 -4.000 0.048) 6.909 9.690 ( 4.249 -4.776 -1.347) 6.533 10.027 ( -7.824 -7.065 0.805) 10.573 15.836 ( 8.087 -2.227 -0.278) 8.393 15.962 ( 8.078 -3.234 0.021) 8.701 ======================= Grid point 190 (74/256) ======================= q-point: (-0.50 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -11.934 13.045 0.006) 17.680 2.517 ( 10.012 13.500 0.779) 16.826 3.132 ( 6.207 28.171 -0.559) 28.852 3.189 ( -4.813 28.045 0.591) 28.461 3.928 ( 2.258 1.726 -0.110) 2.844 3.950 ( -0.524 4.014 -0.212) 4.054 3.997 ( -2.371 -1.892 -0.054) 3.034 4.064 ( 1.002 -4.380 0.243) 4.500 5.662 ( 1.202 30.534 0.373) 30.560 5.670 ( -1.200 30.285 0.287) 30.310 6.624 ( -0.245 9.631 -0.180) 9.636 6.638 ( 0.191 10.049 0.270) 10.054 7.598 ( -0.781 10.701 -0.121) 10.730 7.613 ( 0.432 10.438 0.616) 10.465 7.967 ( 1.167 -4.780 -0.115) 4.921 8.033 ( -0.829 -3.443 -1.031) 3.688 8.288 ( -9.649 5.860 -0.465) 11.299 8.296 ( 9.404 5.241 -0.343) 10.772 9.186 ( 6.234 -3.258 0.192) 7.037 9.202 ( -6.015 -2.877 -0.242) 6.672 9.824 ( 6.855 -5.749 0.039) 8.947 9.863 ( -6.908 -6.533 -0.438) 9.518 15.919 ( 0.144 -2.261 -0.224) 2.276 16.042 ( -0.186 -3.121 -0.116) 3.128 ======================= Grid point 191 (75/256) ======================= q-point: (-0.40 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -20.917 14.096 -0.112) 25.224 2.571 ( -5.826 20.003 0.852) 20.852 3.120 ( -3.362 23.473 -0.094) 23.713 3.252 ( 5.194 26.873 0.174) 27.371 3.823 ( -11.164 5.422 0.319) 12.416 3.835 ( -13.600 -0.483 -0.116) 13.609 3.908 ( -4.791 -0.911 -0.021) 4.877 3.995 ( -7.231 -4.016 -0.202) 8.274 5.562 ( -8.301 29.264 0.326) 30.420 5.648 ( -3.936 31.580 0.307) 31.825 6.642 ( 2.036 9.575 -0.151) 9.790 6.663 ( 2.256 11.064 0.242) 11.294 7.591 ( 0.194 10.848 -0.012) 10.850 7.626 ( 0.413 10.269 0.339) 10.283 7.990 ( 0.146 -4.560 0.771) 4.627 8.014 ( -0.532 -4.405 -2.086) 4.903 8.146 ( -2.965 10.766 0.106) 11.167 8.519 ( 11.330 -0.217 -0.581) 11.347 8.915 ( -13.798 -1.557 -0.054) 13.886 9.401 ( 6.794 -3.502 0.207) 7.646 9.707 ( -5.174 -5.137 -0.872) 7.343 10.002 ( 8.249 -6.525 0.086) 10.518 15.840 ( -7.952 -2.403 -0.169) 8.309 15.956 ( -8.287 -2.953 -0.192) 8.800 ======================= Grid point 192 (76/256) ======================= q-point: (-0.30 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -22.100 18.032 1.164) 28.547 2.332 ( -17.823 21.075 0.970) 27.617 2.967 ( -13.074 27.933 -0.801) 30.852 3.272 ( -7.752 10.399 -0.372) 12.976 3.464 ( -23.504 -1.654 1.326) 23.599 3.569 ( -10.528 19.134 -0.058) 21.839 3.716 ( -14.269 1.008 0.256) 14.307 3.904 ( 0.085 -4.786 -1.062) 4.903 5.358 ( -12.021 28.143 0.144) 30.603 5.523 ( -8.346 32.860 0.310) 33.905 6.699 ( 3.594 10.650 0.007) 11.240 6.722 ( 3.416 12.179 0.161) 12.650 7.597 ( -1.974 9.220 -1.335) 9.523 7.615 ( 0.003 10.603 1.791) 10.753 7.974 ( 1.142 -2.485 -0.598) 2.800 8.032 ( 1.436 -0.948 0.083) 1.723 8.172 ( 4.810 10.360 -0.368) 11.428 8.503 ( -13.234 -6.020 -0.680) 14.555 8.903 ( 13.324 0.724 -0.037) 13.344 9.422 ( -3.095 -4.534 -0.181) 5.493 9.694 ( 2.819 -2.828 -2.058) 4.492 10.137 ( 4.972 -7.352 0.872) 8.918 15.625 ( -13.127 -2.553 -0.097) 13.373 15.735 ( -13.403 -2.853 -0.203) 13.704 ======================= Grid point 193 (77/256) ======================= q-point: (-0.20 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -15.675 23.281 3.417) 28.273 1.884 ( -27.678 17.029 0.904) 32.510 2.655 ( -16.115 39.611 -0.690) 42.769 2.877 ( -26.739 -0.969 -3.574) 26.994 2.957 ( -27.158 -2.121 3.909) 27.519 3.330 ( -18.001 -1.860 1.103) 18.131 3.580 ( 1.793 32.931 -0.782) 32.989 3.954 ( 4.224 -4.951 -1.345) 6.645 5.111 ( -12.484 27.027 -0.036) 29.771 5.344 ( -9.258 34.164 0.205) 35.397 6.775 ( 3.867 12.224 0.212) 12.823 6.791 ( 3.431 13.100 0.086) 13.542 7.490 ( -6.973 6.114 -0.290) 9.279 7.652 ( 2.249 12.053 1.988) 12.421 8.033 ( 3.181 -4.650 -1.220) 5.765 8.065 ( 1.813 1.237 1.455) 2.633 8.211 ( -10.635 -3.610 -1.651) 11.351 8.367 ( 12.509 10.624 -0.976) 16.440 9.207 ( 15.997 -2.229 -0.143) 16.152 9.356 ( -2.867 -4.179 -0.942) 5.155 9.731 ( 0.905 -1.164 -4.241) 4.490 10.193 ( 0.318 -8.687 1.673) 8.853 15.356 ( -13.280 -2.708 0.141) 13.554 15.460 ( -13.550 -2.868 -0.236) 13.852 ======================= Grid point 194 (78/256) ======================= q-point: (-0.10 0.14 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -3.730 26.357 5.884) 27.262 1.304 ( -28.413 19.986 1.193) 34.759 2.337 ( -22.340 1.619 -4.614) 22.869 2.401 ( -10.961 43.776 -1.104) 45.141 2.487 ( -19.233 -0.218 5.607) 20.034 2.996 ( -14.154 -3.712 0.231) 14.634 3.630 ( 2.415 33.869 -0.388) 33.957 4.034 ( 3.682 -4.366 -1.907) 6.022 4.894 ( -8.703 26.298 -0.092) 27.701 5.186 ( -6.184 35.243 -0.004) 35.781 6.838 ( 2.219 13.051 -0.024) 13.239 6.855 ( 2.838 14.518 0.405) 14.798 7.358 ( -5.720 4.841 0.570) 7.516 7.704 ( 2.367 13.418 2.751) 13.900 7.989 ( -7.593 -4.346 -0.672) 8.775 8.067 ( 1.063 -3.138 -1.234) 3.536 8.136 ( 1.591 -4.128 1.857) 4.798 8.732 ( 22.475 6.605 -4.349) 23.826 9.291 ( -4.186 -5.398 -1.172) 6.930 9.501 ( 12.715 -2.794 -0.292) 13.022 9.697 ( -2.532 3.629 -9.366) 10.359 10.164 ( -3.347 -11.147 2.581) 11.921 15.139 ( -8.155 -2.992 0.585) 8.706 15.236 ( -8.438 -2.967 -0.280) 8.948 ======================= Grid point 195 (79/256) ======================= q-point: ( 0.00 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.737 27.420 1.408) 27.466 1.651 ( -0.636 26.202 2.004) 26.286 2.052 ( -0.971 0.550 -5.505) 5.617 2.257 ( 1.113 -0.950 4.661) 4.885 2.877 ( -0.050 8.047 0.329) 8.054 3.167 ( -0.430 29.907 -3.372) 30.099 4.073 ( 0.049 10.995 -0.231) 10.997 4.331 ( 0.132 30.515 1.846) 30.571 5.356 ( 0.021 28.700 0.139) 28.700 5.807 ( -0.166 32.762 -0.388) 32.765 7.080 ( -0.031 8.128 -0.868) 8.175 7.153 ( 0.018 9.937 0.737) 9.964 7.372 ( -0.050 2.882 0.864) 3.009 7.700 ( 0.870 -11.333 -0.690) 11.387 7.955 ( -0.419 2.940 1.028) 3.143 7.989 ( -0.038 -4.438 -1.163) 4.588 8.244 ( -0.191 12.949 4.427) 13.686 8.919 ( -0.335 -8.758 -2.322) 9.067 9.087 ( 0.859 -3.264 0.158) 3.379 9.603 ( 0.426 -2.928 -0.150) 2.963 9.747 ( -0.525 2.948 -6.233) 6.915 9.860 ( -0.201 -11.606 0.500) 11.619 14.993 ( 0.046 -3.219 0.458) 3.251 15.085 ( 0.017 -3.367 -0.466) 3.399 ======================= Grid point 196 (80/256) ======================= q-point: ( 0.10 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 3.513 27.074 1.789) 27.359 1.780 ( 21.422 23.659 1.721) 31.963 2.264 ( 21.523 -0.016 -4.573) 22.003 2.500 ( 20.593 -1.357 3.789) 20.982 3.022 ( 13.596 7.357 0.405) 15.464 3.200 ( 4.397 26.740 -3.803) 27.365 4.044 ( -2.419 12.914 -0.003) 13.138 4.318 ( -1.778 31.305 1.742) 31.403 5.447 ( 8.692 28.684 0.122) 29.972 5.858 ( 5.253 32.375 -0.414) 32.801 7.049 ( -2.719 8.059 -0.479) 8.519 7.113 ( -3.611 9.463 0.491) 10.140 7.440 ( 5.933 3.305 0.293) 6.798 7.758 ( 4.066 -9.752 0.621) 10.584 7.956 ( 0.552 -0.039 -0.007) 0.553 7.980 ( -0.403 -3.014 -0.647) 3.109 8.242 ( -0.815 12.235 3.868) 12.857 8.717 ( -13.758 -3.892 -1.664) 14.395 9.206 ( 5.998 -4.898 -0.174) 7.746 9.441 ( -12.713 -3.318 -0.077) 13.139 9.725 ( -0.514 2.957 -5.629) 6.380 9.947 ( 5.411 -9.833 0.411) 11.231 15.080 ( 8.359 -3.143 0.430) 8.941 15.171 ( 8.582 -3.455 -0.451) 9.262 ======================= Grid point 197 (81/256) ======================= q-point: ( 0.20 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 12.129 25.737 1.708) 28.503 2.271 ( 25.592 19.336 1.490) 32.110 2.767 ( 27.987 -1.075 -3.284) 28.199 2.994 ( 26.473 -0.425 2.821) 26.626 3.297 ( 5.690 17.594 -4.137) 18.948 3.351 ( 18.129 6.265 0.629) 19.192 4.008 ( -0.434 18.225 0.301) 18.233 4.277 ( -2.473 32.707 1.242) 32.824 5.667 ( 12.850 28.528 0.095) 31.289 5.996 ( 8.239 31.519 -0.253) 32.579 6.979 ( -4.199 7.893 0.257) 8.945 7.030 ( -4.628 9.420 -0.162) 10.496 7.578 ( 7.478 3.539 -0.765) 8.308 7.808 ( 0.200 -1.420 1.946) 2.417 7.942 ( -1.721 -2.698 -0.576) 3.251 8.018 ( 2.697 -6.957 0.819) 7.506 8.264 ( 3.895 8.734 1.255) 9.645 8.452 ( -11.762 -0.279 -0.961) 11.804 9.179 ( -12.879 -0.001 -0.028) 12.879 9.289 ( 2.935 -3.569 -0.446) 4.642 9.698 ( -1.232 1.530 -3.518) 4.029 10.016 ( 1.087 -8.654 0.475) 8.735 15.302 ( 13.337 -2.886 0.234) 13.648 15.397 ( 13.693 -3.605 -0.327) 14.163 ======================= Grid point 198 (82/256) ======================= q-point: ( 0.30 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( 17.548 21.411 1.520) 27.725 2.719 ( 17.968 18.215 1.137) 25.611 3.260 ( 19.835 -0.630 -1.506) 19.903 3.354 ( 5.205 10.556 -3.011) 12.149 3.513 ( 21.510 -2.365 1.064) 21.666 3.687 ( 14.768 5.775 0.767) 15.875 4.054 ( 4.991 23.945 0.126) 24.459 4.238 ( -1.284 33.449 0.376) 33.475 5.923 ( 12.424 28.285 0.108) 30.894 6.156 ( 7.430 30.515 -0.048) 31.407 6.895 ( -4.123 7.620 0.666) 8.689 6.937 ( -4.555 9.555 -0.522) 10.598 7.705 ( 5.155 3.221 -1.526) 6.267 7.799 ( -0.943 3.245 1.166) 3.575 7.901 ( -2.291 0.046 -0.050) 2.292 8.022 ( -2.293 -6.291 2.043) 7.000 8.280 ( -4.593 -0.088 -0.256) 4.601 8.410 ( 8.070 -2.326 -0.721) 8.429 8.972 ( -6.738 6.941 0.065) 9.674 9.340 ( 2.585 -2.789 -0.644) 3.856 9.650 ( -2.993 0.350 -1.732) 3.475 9.990 ( -3.718 -7.891 0.513) 8.738 15.572 ( 13.191 -2.621 0.016) 13.449 15.672 ( 13.421 -3.770 -0.174) 13.942 ======================= Grid point 199 (83/256) ======================= q-point: ( 0.40 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 17.519 16.838 1.372) 24.338 2.905 ( -0.398 15.906 0.196) 15.912 3.412 ( 6.522 10.073 -1.117) 12.052 3.564 ( 7.302 3.564 -1.008) 8.188 3.866 ( 12.927 -0.740 1.636) 13.051 3.909 ( 7.355 5.349 0.435) 9.104 4.170 ( 5.694 24.701 -0.512) 25.354 4.238 ( 1.031 30.154 -0.613) 30.177 6.136 ( 8.820 28.026 0.108) 29.381 6.263 ( 2.891 29.318 0.058) 29.460 6.834 ( -1.913 7.849 0.734) 8.112 6.855 ( -3.459 9.404 -0.436) 10.030 7.766 ( 1.543 3.773 -0.137) 4.079 7.788 ( -0.197 4.728 -0.420) 4.750 7.857 ( -1.717 -0.069 -0.070) 1.720 7.965 ( -3.181 -6.867 0.650) 7.596 8.270 ( 2.897 0.329 0.353) 2.937 8.464 ( -3.131 -5.046 -0.505) 5.960 8.989 ( 8.413 9.345 -0.112) 12.575 9.355 ( -2.985 -0.028 -0.447) 3.018 9.609 ( 1.256 -2.559 -0.900) 2.990 9.881 ( -7.147 -7.262 0.429) 10.198 15.788 ( 8.104 -2.508 -0.117) 8.484 15.891 ( 8.139 -3.819 -0.085) 8.990 ======================= Grid point 200 (84/256) ======================= q-point: (-0.50 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.751 ( -10.220 14.726 0.418) 17.930 2.800 ( 9.724 14.368 0.467) 17.355 3.541 ( 3.860 10.905 0.721) 11.591 3.584 ( -2.694 9.877 -0.883) 10.275 3.965 ( -2.165 2.990 0.217) 3.698 4.014 ( 1.704 0.729 1.368) 2.303 4.236 ( -0.404 25.679 -1.022) 25.703 4.246 ( 0.233 25.254 -0.839) 25.269 6.258 ( 0.597 27.855 0.070) 27.861 6.259 ( -0.613 28.527 0.085) 28.534 6.807 ( -1.156 8.598 -0.166) 8.677 6.830 ( 1.203 9.079 0.625) 9.179 7.775 ( -1.124 6.396 -0.118) 6.495 7.787 ( 1.059 6.653 0.619) 6.766 7.853 ( 1.254 -5.367 -0.237) 5.516 7.915 ( -1.660 -6.977 -0.986) 7.239 8.351 ( -1.901 -0.807 -0.156) 2.071 8.370 ( 1.817 -0.247 0.187) 1.844 9.189 ( -0.920 4.254 0.010) 4.352 9.218 ( 1.343 4.800 -0.398) 5.000 9.709 ( 6.302 -5.488 -0.094) 8.358 9.731 ( -6.320 -6.339 -0.226) 8.954 15.870 ( 0.008 -2.578 -0.159) 2.583 15.973 ( -0.011 -3.698 -0.071) 3.699 ======================= Grid point 201 (85/256) ======================= q-point: (-0.40 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -17.375 17.922 0.066) 24.962 2.921 ( -1.666 16.183 0.814) 16.289 3.468 ( -4.962 6.561 0.594) 8.248 3.565 ( -4.721 6.438 -1.048) 8.052 3.811 ( -13.581 1.154 0.334) 13.634 3.949 ( -8.232 3.055 1.461) 8.901 4.159 ( -6.027 25.840 -0.871) 26.547 4.231 ( -1.456 28.740 -0.874) 28.790 6.136 ( -8.887 27.585 0.074) 28.981 6.264 ( -2.738 29.610 0.134) 29.736 6.815 ( 2.091 7.637 -0.020) 7.918 6.877 ( 3.234 10.006 0.397) 10.523 7.757 ( -0.543 4.984 -0.241) 5.019 7.807 ( -0.184 6.915 0.149) 6.919 7.868 ( 0.341 -4.763 -0.091) 4.776 7.922 ( 2.791 -5.550 -0.542) 6.235 8.267 ( -2.523 0.273 0.218) 2.547 8.467 ( 3.090 -5.095 -0.343) 5.969 8.990 ( -8.327 8.964 -0.089) 12.236 9.369 ( 3.487 0.038 -0.014) 3.487 9.620 ( -1.434 -2.741 -0.563) 3.144 9.867 ( 7.493 -6.726 0.004) 10.069 15.787 ( -8.123 -2.736 -0.138) 8.573 15.890 ( -8.119 -3.498 -0.103) 8.841 ======================= Grid point 202 (86/256) ======================= q-point: (-0.30 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -17.189 22.406 0.540) 28.245 2.705 ( -19.151 18.183 0.611) 26.415 3.309 ( -18.350 -0.375 -0.365) 18.358 3.421 ( -5.985 3.993 -3.115) 7.840 3.446 ( -21.064 4.734 2.012) 21.683 3.718 ( -15.043 4.800 1.472) 15.859 4.037 ( -4.844 24.324 -0.426) 24.806 4.219 ( 0.807 32.417 -0.210) 32.427 5.921 ( -12.482 27.831 0.058) 30.503 6.162 ( -7.194 30.742 0.164) 31.573 6.883 ( 4.539 7.569 0.167) 8.827 6.951 ( 3.967 10.124 0.018) 10.874 7.729 ( -4.691 2.418 -2.003) 5.645 7.766 ( -1.034 3.585 1.351) 3.968 7.905 ( 2.584 -0.478 -0.054) 2.628 7.984 ( 2.944 -4.711 0.812) 5.615 8.286 ( 4.818 -0.463 0.074) 4.841 8.412 ( -7.958 -2.605 -0.613) 8.396 8.972 ( 6.616 6.687 0.065) 9.407 9.347 ( -3.290 -3.109 -0.443) 4.548 9.668 ( 4.199 0.517 -1.150) 4.385 9.985 ( 4.067 -7.574 0.380) 8.606 15.570 ( -13.276 -2.885 -0.052) 13.586 15.672 ( -13.326 -3.342 -0.174) 13.739 ======================= Grid point 203 (87/256) ======================= q-point: (-0.20 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -11.609 26.282 1.244) 28.758 2.242 ( -26.259 19.436 0.437) 32.672 2.840 ( -26.835 -1.739 -2.982) 27.056 2.931 ( -27.499 -0.480 2.643) 27.630 3.296 ( -11.065 13.900 -1.495) 17.829 3.413 ( -13.483 12.211 0.242) 18.192 4.000 ( 0.942 16.895 -0.079) 16.922 4.255 ( 2.419 32.028 0.713) 32.127 5.666 ( -12.873 28.102 0.036) 30.910 6.005 ( -8.160 31.691 0.058) 32.724 6.980 ( 4.760 7.884 0.242) 9.212 7.029 ( 3.986 9.913 -0.167) 10.685 7.588 ( -7.974 2.839 -0.687) 8.492 7.761 ( -0.757 -1.789 0.694) 2.063 7.947 ( 1.672 -2.489 -0.450) 3.031 8.017 ( -0.513 -5.556 0.849) 5.644 8.257 ( -5.060 9.228 0.877) 10.561 8.457 ( 11.951 -1.447 -0.632) 12.055 9.177 ( 12.693 -0.156 -0.092) 12.694 9.281 ( -3.321 -3.330 -0.750) 4.763 9.732 ( 2.542 0.902 -2.452) 3.645 10.018 ( -0.967 -8.511 0.611) 8.587 15.298 ( -13.431 -3.008 0.107) 13.764 15.398 ( -13.572 -3.281 -0.281) 13.965 ======================= Grid point 204 (88/256) ======================= q-point: (-0.10 0.21 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -3.348 27.221 1.914) 27.493 1.753 ( -21.050 23.954 0.697) 31.897 2.321 ( -22.380 -0.770 -4.849) 22.912 2.448 ( -20.058 -0.738 4.162) 20.499 3.019 ( -13.099 8.184 0.354) 15.450 3.236 ( -5.701 27.141 -2.559) 27.852 4.043 ( 2.594 11.974 -0.194) 12.253 4.304 ( 1.980 30.864 1.473) 30.963 5.446 ( -8.673 28.407 0.078) 29.702 5.866 ( -5.444 32.465 -0.174) 32.919 7.055 ( 2.670 8.082 -0.483) 8.526 7.107 ( 3.731 9.823 0.496) 10.520 7.441 ( -6.290 2.855 0.268) 6.913 7.726 ( -2.511 -8.809 -0.260) 9.163 7.963 ( -0.251 -0.274 0.264) 0.455 7.992 ( -0.535 -3.815 -0.552) 3.892 8.230 ( 0.266 13.242 3.464) 13.690 8.723 ( 14.217 -4.724 -1.382) 15.045 9.192 ( -5.762 -4.265 -0.621) 7.196 9.436 ( 12.613 -3.383 -0.206) 13.060 9.758 ( 1.013 1.863 -4.727) 5.181 9.952 ( -5.624 -9.761 0.728) 11.289 15.077 ( -8.350 -3.130 0.309) 8.923 15.172 ( -8.509 -3.305 -0.392) 9.137 ======================= Grid point 205 (89/256) ======================= q-point: ( 0.00 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( 0.052 6.909 -0.239) 6.913 2.072 ( -0.119 5.095 -2.096) 5.511 2.163 ( 0.356 19.578 0.521) 19.588 2.361 ( 0.279 17.243 0.826) 17.265 3.112 ( -0.113 14.402 0.549) 14.413 3.419 ( -0.457 0.607 -2.838) 2.938 4.530 ( -0.115 29.096 -0.173) 29.097 4.854 ( 0.247 21.141 2.922) 21.343 5.910 ( 0.144 26.505 0.305) 26.507 6.393 ( -0.168 25.673 -0.595) 25.680 7.182 ( 0.038 3.080 -1.673) 3.505 7.266 ( -0.304 2.385 0.761) 2.522 7.392 ( 0.348 -1.124 0.640) 1.339 7.462 ( 0.409 -12.085 -0.296) 12.096 7.958 ( -0.283 1.871 -0.112) 1.895 7.993 ( 0.093 1.834 0.047) 1.837 8.498 ( -0.415 10.312 2.516) 10.622 8.750 ( 0.306 -8.058 -0.762) 8.100 9.049 ( 0.087 -0.314 0.020) 0.326 9.536 ( 0.423 -3.876 -0.133) 3.901 9.669 ( -0.434 -6.645 0.058) 6.660 9.762 ( -0.086 -1.612 -2.484) 2.963 14.934 ( 0.046 -2.632 0.420) 2.666 15.019 ( -0.036 -3.195 -0.537) 3.240 ======================= Grid point 206 (90/256) ======================= q-point: ( 0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 18.850 8.519 0.146) 20.686 2.178 ( 7.964 21.905 -0.797) 23.322 2.307 ( 18.010 4.713 -1.049) 18.646 2.554 ( 18.149 12.046 1.123) 21.812 3.238 ( 11.889 13.186 0.550) 17.763 3.412 ( 0.476 0.474 -2.998) 3.073 4.528 ( 0.251 29.120 -0.281) 29.123 4.855 ( -0.815 21.756 2.911) 21.965 5.997 ( 8.222 26.147 0.378) 27.412 6.438 ( 4.692 25.399 -0.670) 25.838 7.155 ( -2.207 3.601 -1.194) 4.389 7.225 ( -3.208 2.593 0.195) 4.129 7.461 ( 5.774 -1.213 0.372) 5.912 7.528 ( 5.518 -12.225 0.461) 13.420 7.946 ( -0.788 1.782 -0.214) 1.960 7.991 ( -0.399 1.848 0.006) 1.890 8.463 ( -3.578 7.820 1.769) 8.780 8.618 ( -10.399 -4.992 -0.165) 11.536 9.136 ( 5.926 -1.853 -0.082) 6.209 9.389 ( -9.635 -1.482 0.109) 9.749 9.746 ( -0.517 -0.827 -2.359) 2.553 9.782 ( 6.049 -6.819 -0.129) 9.116 15.023 ( 8.496 -2.585 0.465) 8.893 15.104 ( 8.475 -3.271 -0.586) 9.103 ======================= Grid point 207 (91/256) ======================= q-point: ( 0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 9.548 21.979 -0.215) 23.964 2.636 ( 25.496 13.562 1.593) 28.922 2.766 ( 26.525 2.727 -2.677) 26.799 3.008 ( 25.201 4.021 1.215) 25.548 3.411 ( 1.185 0.442 -2.274) 2.602 3.541 ( 16.543 11.664 0.292) 20.244 4.553 ( 2.663 29.387 -0.539) 29.513 4.842 ( -1.046 23.031 2.394) 23.179 6.205 ( 11.936 24.862 0.325) 27.580 6.560 ( 7.326 24.590 -0.592) 25.665 7.096 ( -3.545 5.066 -0.053) 6.183 7.154 ( -3.710 3.612 -0.766) 5.234 7.597 ( 7.145 -1.620 -0.044) 7.326 7.650 ( 6.010 -11.143 1.207) 12.718 7.934 ( -0.182 1.493 -0.177) 1.515 7.977 ( -1.008 1.386 0.045) 1.715 8.363 ( -7.960 -1.632 -0.464) 8.139 8.428 ( -6.352 1.202 1.112) 6.560 9.223 ( -6.340 4.046 0.334) 7.529 9.232 ( 3.391 -1.798 -0.169) 3.842 9.723 ( -1.239 0.362 -1.860) 2.264 9.862 ( 1.704 -6.789 0.022) 6.999 15.248 ( 13.542 -2.453 0.416) 13.769 15.327 ( 13.536 -3.413 -0.536) 13.970 ======================= Grid point 208 (92/256) ======================= q-point: ( 0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 13.009 18.404 0.146) 22.538 3.086 ( 17.244 18.046 1.244) 24.992 3.247 ( 19.601 0.224 -0.872) 19.622 3.360 ( 8.149 -5.827 -2.474) 10.319 3.569 ( 19.449 8.133 0.599) 21.089 3.856 ( 14.181 10.675 0.511) 17.757 4.628 ( 4.788 28.369 -0.771) 28.780 4.830 ( -0.594 24.637 1.572) 24.694 6.437 ( 10.913 22.430 0.140) 24.944 6.697 ( 5.889 22.715 -0.519) 23.472 7.025 ( -3.239 7.081 0.713) 7.819 7.083 ( -3.086 5.762 -0.998) 6.612 7.701 ( 2.954 -3.901 0.232) 4.899 7.748 ( 3.108 -6.156 0.633) 6.925 7.926 ( -1.884 0.749 -0.248) 2.042 7.975 ( 1.883 3.240 0.494) 3.780 8.192 ( -6.843 -6.339 -0.037) 9.328 8.379 ( -0.351 -1.543 -0.125) 1.587 9.148 ( -0.793 9.343 0.380) 9.385 9.292 ( 2.987 -1.906 -0.296) 3.556 9.680 ( -2.859 1.821 -1.174) 3.587 9.847 ( -3.089 -6.357 0.093) 7.068 15.522 ( 13.323 -2.308 0.269) 13.524 15.598 ( 13.312 -3.570 -0.380) 13.787 ======================= Grid point 209 (93/256) ======================= q-point: ( 0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( 13.109 13.680 0.452) 18.952 3.172 ( -4.800 9.067 -0.126) 10.260 3.528 ( 12.698 5.623 0.454) 13.894 3.610 ( 10.828 2.712 -2.020) 11.344 3.924 ( 14.035 6.998 0.851) 15.706 4.066 ( 6.355 10.133 0.637) 11.978 4.719 ( 4.220 26.489 -0.830) 26.836 4.824 ( -0.499 25.810 0.694) 25.824 6.615 ( 6.931 18.385 -0.151) 19.648 6.757 ( 0.089 17.747 -0.679) 17.760 6.998 ( 0.520 11.414 1.016) 11.470 7.032 ( -1.883 9.756 -0.325) 9.941 7.731 ( 0.642 -3.461 -0.000) 3.520 7.773 ( -0.160 -6.612 0.381) 6.625 7.885 ( -1.376 1.747 -0.355) 2.252 7.958 ( -3.882 4.913 0.179) 6.264 8.183 ( 5.012 -6.941 0.334) 8.568 8.366 ( -1.756 -3.783 -0.205) 4.176 9.198 ( 5.456 9.778 0.131) 11.198 9.351 ( 2.345 -1.103 -0.338) 2.614 9.611 ( -3.016 2.316 -0.656) 3.859 9.752 ( -6.207 -5.525 0.102) 8.311 15.740 ( 8.083 -2.248 0.069) 8.390 15.816 ( 8.173 -3.636 -0.165) 8.947 ======================= Grid point 210 (94/256) ======================= q-point: (-0.50 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -5.841 10.041 0.389) 11.623 3.049 ( 5.876 9.668 -0.066) 11.314 3.668 ( -1.151 5.528 0.369) 5.658 3.713 ( 1.633 5.547 -1.244) 5.915 4.083 ( -1.557 8.764 -0.130) 8.902 4.111 ( 1.322 8.593 1.529) 8.828 4.777 ( 1.710 25.199 -0.749) 25.268 4.803 ( -1.996 26.524 0.101) 26.599 6.699 ( -0.516 14.233 -0.204) 14.244 6.731 ( 0.477 16.286 -0.957) 16.321 7.002 ( -1.253 13.290 0.249) 13.351 7.029 ( 1.566 13.163 1.154) 13.306 7.737 ( -0.158 -4.672 -0.261) 4.682 7.763 ( -0.348 -6.016 -0.123) 6.027 7.886 ( 0.888 2.607 -0.112) 2.757 7.897 ( -0.977 3.207 0.107) 3.354 8.281 ( 0.298 -4.270 0.257) 4.288 8.309 ( -0.319 -3.857 -0.072) 3.871 9.306 ( -1.112 5.394 -0.024) 5.508 9.339 ( 1.379 5.299 -0.312) 5.484 9.625 ( 4.685 -2.456 -0.205) 5.294 9.632 ( -4.606 -3.044 -0.071) 5.521 15.821 ( -0.124 -2.302 -0.078) 2.307 15.900 ( 0.144 -3.562 -0.009) 3.565 ======================= Grid point 211 (95/256) ======================= q-point: (-0.40 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -12.902 14.474 -0.236) 19.391 3.191 ( 3.974 8.721 0.580) 9.602 3.515 ( -12.520 3.477 -0.353) 12.999 3.638 ( -9.897 3.071 -0.820) 10.395 3.916 ( -13.728 8.559 0.620) 16.190 4.075 ( -6.615 9.299 0.925) 11.449 4.739 ( -4.333 28.081 -0.487) 28.417 4.790 ( 0.018 24.630 -0.108) 24.631 6.607 ( -7.062 18.235 -0.461) 19.560 6.761 ( 0.288 17.257 -0.483) 17.266 6.982 ( -0.327 12.224 0.404) 12.235 7.063 ( 1.822 9.895 0.733) 10.088 7.723 ( -1.053 -7.922 -0.185) 7.994 7.765 ( -0.029 -2.569 0.004) 2.569 7.882 ( 1.000 2.056 -0.433) 2.327 7.954 ( 3.888 4.876 0.062) 6.237 8.186 ( -4.984 -6.325 0.429) 8.064 8.365 ( 1.874 -4.094 -0.255) 4.510 9.194 ( -5.385 9.699 0.004) 11.094 9.359 ( -2.459 -1.552 -0.067) 2.909 9.621 ( 3.428 2.210 -0.353) 4.094 9.748 ( 6.383 -5.093 -0.032) 8.166 15.736 ( -8.266 -2.401 -0.087) 8.608 15.821 ( -7.953 -3.420 0.001) 8.657 ======================= Grid point 212 (96/256) ======================= q-point: (-0.30 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( -12.764 18.806 -0.381) 22.732 3.068 ( -18.803 17.810 0.479) 25.903 3.280 ( -15.179 -3.037 0.644) 15.493 3.345 ( -14.926 -2.763 -2.700) 15.418 3.597 ( -15.333 7.778 1.066) 17.226 3.865 ( -14.252 9.969 0.802) 17.411 4.642 ( -4.872 30.170 -0.566) 30.566 4.790 ( 0.214 23.703 0.573) 23.711 6.427 ( -10.944 21.976 -0.237) 24.551 6.706 ( -5.554 22.681 -0.176) 23.352 7.017 ( 3.627 7.442 0.310) 8.284 7.107 ( 2.542 6.229 -0.111) 6.729 7.687 ( -2.809 -8.337 -0.209) 8.800 7.732 ( -4.111 -2.018 0.110) 4.581 7.926 ( 2.848 0.895 -0.280) 2.998 7.974 ( -1.951 3.999 0.466) 4.474 8.193 ( 6.675 -6.641 0.024) 9.416 8.378 ( 0.286 -1.497 -0.144) 1.531 9.144 ( 0.641 9.262 0.241) 9.287 9.295 ( -3.229 -1.993 -0.196) 3.800 9.696 ( 3.392 1.444 -0.655) 3.745 9.847 ( 3.273 -6.184 0.089) 6.998 15.515 ( -13.391 -2.483 0.016) 13.619 15.606 ( -13.216 -3.292 -0.110) 13.620 ======================= Grid point 213 (97/256) ======================= q-point: (-0.20 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -9.167 21.678 -0.578) 23.543 2.611 ( -25.412 14.709 0.279) 29.363 2.810 ( -27.016 -0.431 -1.026) 27.039 2.966 ( -23.887 6.254 0.073) 24.692 3.450 ( -4.074 2.181 -0.662) 4.668 3.560 ( -14.761 8.860 0.583) 17.226 4.563 ( -2.774 31.128 -0.452) 31.255 4.805 ( 0.998 22.301 1.481) 22.373 6.195 ( -11.873 24.437 -0.032) 27.169 6.572 ( -7.246 24.639 -0.177) 25.683 7.100 ( 4.132 5.326 0.097) 6.742 7.161 ( 3.059 3.916 -0.566) 5.002 7.598 ( -7.115 -1.924 -0.835) 7.418 7.614 ( -5.892 -10.211 0.848) 11.820 7.949 ( 0.065 1.751 0.308) 1.780 7.974 ( 1.249 0.898 -0.082) 1.540 8.381 ( 11.287 -4.488 -0.514) 12.158 8.407 ( 2.752 4.126 1.047) 5.069 9.218 ( 6.165 4.013 0.144) 7.358 9.230 ( -3.434 -1.502 -0.231) 3.755 9.742 ( 1.647 -0.377 -1.202) 2.074 9.865 ( -1.597 -6.826 0.129) 7.011 15.242 ( -13.528 -2.549 0.163) 13.767 15.333 ( -13.532 -3.208 -0.269) 13.910 ======================= Grid point 214 (98/256) ======================= q-point: (-0.10 0.29 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( -20.211 10.271 0.071) 22.672 2.171 ( -4.553 20.797 -1.073) 21.316 2.318 ( -19.894 1.972 -0.766) 20.006 2.537 ( -17.306 14.171 0.612) 22.376 3.238 ( -11.795 13.212 0.537) 17.719 3.444 ( -1.523 -0.299 -1.964) 2.503 4.533 ( -0.426 30.237 -0.255) 30.241 4.832 ( 1.133 21.304 2.368) 21.465 5.991 ( -8.018 25.894 0.147) 27.108 6.446 ( -4.896 25.417 -0.379) 25.887 7.162 ( 2.221 3.656 -1.043) 4.403 7.226 ( 3.282 2.828 0.278) 4.341 7.456 ( -6.055 -1.316 0.150) 6.198 7.510 ( -4.508 -11.677 -0.038) 12.517 7.957 ( 0.415 1.713 0.115) 1.767 7.988 ( 0.429 1.679 -0.105) 1.736 8.469 ( 2.553 8.873 2.117) 9.473 8.609 ( 11.150 -5.996 -0.641) 12.676 9.133 ( -5.811 -1.410 -0.171) 5.982 9.384 ( 9.651 -1.470 -0.067) 9.762 9.760 ( 0.586 -1.714 -1.892) 2.619 9.786 ( -6.094 -6.732 0.053) 9.081 15.019 ( -8.428 -2.605 0.308) 8.826 15.108 ( -8.526 -3.176 -0.422) 9.108 ======================= Grid point 215 (99/256) ======================= q-point: ( 0.00 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( -0.296 0.250 -2.057) 2.093 2.064 ( 1.022 -2.197 1.243) 2.724 2.554 ( -0.181 17.706 -1.425) 17.764 2.831 ( 0.226 25.162 -0.418) 25.167 3.349 ( -0.351 -2.224 -0.168) 2.258 3.407 ( -0.065 10.280 0.158) 10.281 5.004 ( -0.472 16.168 -2.350) 16.345 5.156 ( 0.378 9.678 3.461) 10.285 6.382 ( 0.239 20.498 0.486) 20.505 6.795 ( -0.107 13.611 -0.842) 13.637 7.232 ( 0.466 -2.729 -1.145) 2.996 7.266 ( 0.882 -0.416 -0.667) 1.182 7.306 ( -2.051 -0.019 0.693) 2.165 7.359 ( 0.794 1.249 0.933) 1.749 8.021 ( -0.315 2.452 -0.771) 2.589 8.041 ( 0.248 3.916 0.173) 3.927 8.598 ( -0.575 -4.635 -0.124) 4.672 8.631 ( 0.570 0.658 1.298) 1.563 9.076 ( -0.094 2.940 -0.040) 2.942 9.451 ( 0.127 -4.637 -0.104) 4.640 9.588 ( -0.041 -1.946 0.106) 1.950 9.705 ( -0.065 -3.725 -0.788) 3.808 14.892 ( 0.037 -1.572 0.407) 1.625 14.960 ( -0.065 -2.747 -0.466) 2.787 ======================= Grid point 216 (100/256) ======================= q-point: ( 0.10 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( 21.138 0.057 -1.877) 21.221 2.307 ( 21.250 -2.018 1.356) 21.388 2.599 ( 5.462 18.207 -1.406) 19.060 2.963 ( 12.400 23.305 -0.228) 26.400 3.360 ( 1.421 -3.186 -0.555) 3.532 3.511 ( 10.331 12.009 0.328) 15.845 4.995 ( 0.262 15.839 -2.002) 15.967 5.164 ( -0.254 9.694 3.079) 10.174 6.456 ( 6.635 19.343 0.570) 20.457 6.833 ( 3.932 13.106 -0.919) 13.714 7.235 ( -0.712 4.906 -1.889) 5.305 7.275 ( 0.625 0.778 0.319) 1.048 7.320 ( 2.723 -4.208 1.449) 5.217 7.416 ( 5.513 -2.055 0.112) 5.884 8.008 ( -0.930 3.147 -0.575) 3.331 8.037 ( -0.630 3.106 -0.090) 3.170 8.496 ( -8.369 -3.489 -0.096) 9.068 8.571 ( -6.340 -0.284 1.059) 6.434 9.137 ( 4.766 1.769 -0.045) 5.084 9.376 ( -4.660 -0.451 0.274) 4.690 9.672 ( 5.298 -4.262 -0.075) 6.800 9.703 ( 0.094 -3.183 -0.858) 3.298 14.980 ( 8.538 -1.591 0.476) 8.698 15.043 ( 8.397 -2.757 -0.545) 8.855 ======================= Grid point 217 (101/256) ======================= q-point: ( 0.20 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 15.006 4.367 -2.117) 15.772 2.784 ( 24.185 1.371 2.343) 24.337 2.854 ( 24.226 10.276 -1.851) 26.380 3.238 ( 11.207 13.625 0.427) 17.648 3.444 ( 10.595 5.710 -0.896) 12.069 3.779 ( 15.579 11.323 0.303) 19.261 5.012 ( 2.051 15.376 -1.411) 15.576 5.167 ( 0.028 9.953 2.377) 10.233 6.616 ( 8.614 15.786 0.359) 17.987 6.926 ( 5.063 10.993 -0.852) 12.133 7.218 ( -0.275 6.305 -1.300) 6.444 7.262 ( -1.488 10.246 0.707) 10.378 7.413 ( 5.334 -9.420 1.264) 10.899 7.570 ( 9.460 -2.158 -0.248) 9.706 7.982 ( -1.532 3.116 -0.335) 3.488 8.017 ( -1.472 2.196 -0.285) 2.659 8.312 ( -9.615 -2.203 0.023) 9.865 8.430 ( -6.794 -1.470 0.411) 6.963 9.220 ( 3.270 0.681 0.016) 3.340 9.309 ( -2.191 3.399 0.511) 4.076 9.705 ( 0.198 -1.983 -0.819) 2.154 9.747 ( 1.898 -4.892 -0.134) 5.249 15.207 ( 13.613 -1.592 0.497) 13.715 15.264 ( 13.424 -2.796 -0.548) 13.723 ======================= Grid point 218 (102/256) ======================= q-point: ( 0.30 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.813 ( 10.193 8.695 -1.213) 13.453 3.197 ( 10.611 -5.751 0.456) 12.078 3.343 ( 22.563 6.095 -1.597) 23.426 3.402 ( 13.020 12.026 1.466) 17.784 3.782 ( 19.660 13.427 -0.528) 23.813 4.080 ( 13.846 10.990 0.201) 17.678 5.065 ( 3.281 14.466 -0.756) 14.852 5.180 ( 0.721 10.585 1.611) 10.731 6.763 ( 5.754 10.375 -0.091) 11.864 6.988 ( 0.522 7.288 -0.736) 7.344 7.226 ( 1.293 8.827 -0.367) 8.929 7.253 ( 1.107 13.783 0.488) 13.836 7.511 ( 4.159 -7.946 1.229) 9.053 7.744 ( 6.393 1.124 -0.406) 6.504 7.958 ( -0.775 1.104 -0.617) 1.483 7.984 ( -0.364 -0.079 0.114) 0.389 8.135 ( -7.775 0.524 0.202) 7.795 8.345 ( -1.891 -1.792 -0.057) 2.606 9.270 ( 2.220 -0.331 0.035) 2.244 9.295 ( 0.694 4.801 0.433) 4.870 9.697 ( -1.109 -0.334 -0.683) 1.344 9.741 ( -2.282 -4.295 -0.141) 4.866 15.483 ( 13.372 -1.582 0.411) 13.471 15.534 ( 13.221 -2.849 -0.426) 13.531 ======================= Grid point 219 (103/256) ======================= q-point: ( 0.40 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.001 ( 8.886 6.351 -0.670) 10.943 3.235 ( -2.236 -1.012 -0.311) 2.474 3.689 ( 12.576 8.652 0.601) 15.276 3.710 ( 12.502 7.526 -0.218) 14.595 4.124 ( 14.045 12.369 -0.326) 18.717 4.286 ( 6.332 11.295 0.079) 12.950 5.124 ( 2.549 13.313 -0.195) 13.556 5.198 ( 0.646 11.486 0.978) 11.546 6.838 ( 2.281 6.407 -0.336) 6.809 6.954 ( -2.724 5.844 -0.809) 6.498 7.260 ( 1.707 10.233 0.298) 10.379 7.293 ( 1.972 12.346 0.644) 12.519 7.591 ( 4.102 -4.147 0.755) 5.881 7.762 ( -3.314 2.352 -0.416) 4.085 7.929 ( -1.128 2.253 -0.514) 2.572 7.980 ( -3.193 -1.327 0.124) 3.460 8.116 ( 6.738 1.028 0.089) 6.817 8.323 ( -1.425 -0.934 0.059) 1.705 9.318 ( 2.690 -0.522 0.026) 2.740 9.337 ( 3.110 2.455 0.146) 3.965 9.655 ( -2.796 1.226 -0.466) 3.089 9.670 ( -4.267 -2.611 -0.138) 5.004 15.702 ( 8.067 -1.573 0.196) 8.221 15.750 ( 8.164 -2.888 -0.169) 8.662 ======================= Grid point 220 (104/256) ======================= q-point: (-0.50 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.133 ( -0.607 3.136 -0.298) 3.208 3.167 ( 0.493 2.704 -0.623) 2.819 3.811 ( -0.605 8.332 0.153) 8.355 3.843 ( 0.755 7.349 0.310) 7.394 4.297 ( 0.091 11.972 -0.684) 11.992 4.319 ( -0.010 11.509 0.425) 11.517 5.155 ( 0.486 12.185 0.189) 12.196 5.202 ( -0.665 12.707 0.541) 12.736 6.860 ( -0.290 5.211 -0.263) 5.225 6.917 ( 0.262 5.866 -1.009) 5.958 7.278 ( -0.131 9.314 0.386) 9.323 7.319 ( 0.410 11.225 1.040) 11.280 7.666 ( -4.120 0.116 -0.350) 4.136 7.684 ( 3.736 -0.723 0.278) 3.815 7.919 ( 0.021 1.740 -0.539) 1.822 7.944 ( -0.132 2.195 0.108) 2.201 8.236 ( 1.744 -0.164 0.392) 1.795 8.271 ( -1.604 0.015 -0.120) 1.609 9.355 ( 0.006 -0.244 -0.020) 0.245 9.378 ( -0.143 -0.957 -0.076) 0.970 9.616 ( 0.192 0.747 -0.201) 0.797 9.617 ( 0.147 0.773 -0.129) 0.798 15.782 ( -0.179 -1.570 0.005) 1.580 15.835 ( 0.206 -2.893 0.054) 2.901 ======================= Grid point 221 (105/256) ======================= q-point: (-0.40 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( -8.828 6.877 -0.877) 11.225 3.230 ( 1.602 -2.192 -0.464) 2.754 3.677 ( -12.444 10.155 0.270) 16.063 3.732 ( -12.065 6.357 0.417) 13.644 4.126 ( -13.785 12.150 -0.260) 18.377 4.287 ( -6.335 11.107 0.093) 12.788 5.148 ( -1.055 11.173 0.415) 11.231 5.172 ( -2.450 14.335 0.277) 14.545 6.829 ( -2.567 6.076 -0.697) 6.633 6.956 ( 2.915 6.414 -0.650) 7.075 7.258 ( -1.796 9.902 0.243) 10.066 7.312 ( -1.374 11.560 1.246) 11.708 7.570 ( -4.525 -2.960 0.008) 5.407 7.767 ( 2.889 2.014 -0.224) 3.529 7.928 ( 1.252 2.165 -0.553) 2.561 7.978 ( 3.471 -0.838 0.082) 3.572 8.127 ( -7.196 1.032 0.439) 7.282 8.317 ( 1.808 -1.030 -0.131) 2.085 9.318 ( -2.618 -0.494 0.063) 2.665 9.333 ( -3.213 2.187 0.010) 3.887 9.661 ( 3.062 1.055 -0.267) 3.250 9.672 ( 4.323 -2.424 -0.066) 4.956 15.696 ( -8.310 -1.551 -0.017) 8.454 15.758 ( -7.877 -2.878 0.085) 8.387 ======================= Grid point 222 (106/256) ======================= q-point: (-0.30 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.804 ( -10.115 8.896 -1.525) 13.556 3.161 ( -12.367 -6.044 -0.795) 13.787 3.364 ( -20.289 8.752 -0.192) 22.097 3.418 ( -13.993 9.787 1.337) 17.128 3.791 ( -18.952 12.215 -0.230) 22.548 4.081 ( -13.883 10.726 0.221) 17.545 5.112 ( -2.920 15.259 -1.420) 15.600 5.128 ( -1.298 10.988 2.142) 11.270 6.746 ( -5.891 10.189 -0.676) 11.788 6.992 ( -0.091 7.404 -0.502) 7.422 7.224 ( -1.126 9.362 -0.165) 9.431 7.281 ( -1.466 12.570 1.061) 12.699 7.486 ( -4.370 -7.215 0.385) 8.444 7.744 ( -6.188 1.579 -0.336) 6.395 7.966 ( 2.469 2.138 -0.533) 3.309 7.987 ( -1.472 -1.176 0.346) 1.916 8.128 ( 7.667 0.424 0.014) 7.679 8.346 ( 2.118 -1.686 -0.018) 2.707 9.271 ( -2.232 -0.443 0.080) 2.277 9.291 ( -0.777 4.825 0.293) 4.896 9.705 ( 1.289 -0.645 -0.414) 1.500 9.743 ( 2.283 -4.243 -0.073) 4.819 15.475 ( -13.426 -1.525 0.077) 13.513 15.544 ( -13.149 -2.850 -0.025) 13.454 ======================= Grid point 223 (107/256) ======================= q-point: (-0.20 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -13.044 5.230 -2.599) 14.292 2.730 ( -26.888 -0.424 0.198) 26.892 2.900 ( -22.573 11.104 0.226) 25.158 3.228 ( -12.147 15.045 0.063) 19.337 3.471 ( -10.109 3.536 0.005) 10.710 3.780 ( -15.650 11.033 0.333) 19.151 5.056 ( -2.129 16.658 -1.752) 16.885 5.120 ( -0.099 9.922 2.605) 10.259 6.599 ( -8.452 15.561 -0.266) 17.710 6.936 ( -4.793 10.732 -0.489) 11.764 7.219 ( 0.503 5.785 -0.903) 5.877 7.278 ( 0.733 10.730 0.812) 10.786 7.393 ( -4.973 -8.962 0.651) 10.270 7.570 ( -9.563 -1.502 -0.175) 9.681 7.995 ( 1.566 2.859 0.211) 3.266 8.011 ( 1.495 2.270 -0.587) 2.781 8.309 ( 9.971 -2.660 -0.073) 10.320 8.430 ( 6.333 -1.092 0.388) 6.438 9.222 ( -3.235 0.756 0.088) 3.324 9.304 ( 2.072 3.492 0.349) 4.076 9.713 ( -0.128 -2.401 -0.559) 2.469 9.748 ( -1.865 -5.002 -0.077) 5.339 15.201 ( -13.567 -1.520 0.202) 13.654 15.273 ( -13.487 -2.808 -0.186) 13.777 ======================= Grid point 224 (108/256) ======================= q-point: (-0.10 0.36 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -21.360 -0.133 -2.506) 21.507 2.258 ( -18.762 -1.679 1.005) 18.863 2.618 ( -6.797 18.085 -0.754) 19.334 2.955 ( -11.920 23.291 -0.420) 26.168 3.376 ( -2.141 -3.660 -0.077) 4.240 3.513 ( -10.452 11.725 0.358) 15.711 5.022 ( -0.885 16.657 -2.255) 16.832 5.135 ( 0.721 9.682 3.277) 10.247 6.445 ( -6.262 19.201 0.170) 20.197 6.840 ( -4.013 12.950 -0.650) 13.573 7.230 ( 0.704 2.979 -1.604) 3.456 7.275 ( -1.930 -1.441 0.144) 2.413 7.332 ( -0.522 0.983 1.559) 1.916 7.408 ( -6.334 -2.449 -0.165) 6.793 8.024 ( 0.528 3.421 -0.371) 3.482 8.026 ( 0.956 2.724 -0.136) 2.890 8.500 ( 8.770 -4.795 -0.052) 9.996 8.563 ( 5.784 0.981 0.900) 5.935 9.139 ( -4.795 1.884 0.033) 5.152 9.373 ( 4.726 -0.301 0.159) 4.739 9.672 ( -5.189 -4.417 -0.109) 6.815 9.709 ( -0.232 -3.550 -0.618) 3.610 14.977 ( -8.466 -1.542 0.314) 8.611 15.048 ( -8.514 -2.767 -0.341) 8.959 ======================= Grid point 225 (109/256) ======================= q-point: ( 0.00 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -0.019 0.523 -1.490) 1.579 2.018 ( 0.818 -2.198 0.745) 2.461 2.859 ( -0.218 13.110 -1.511) 13.198 3.240 ( -0.498 -6.702 0.432) 6.734 3.279 ( 0.493 18.865 -0.297) 18.873 3.583 ( 0.037 4.461 0.229) 4.467 5.182 ( -0.451 4.046 -1.762) 4.436 5.258 ( 0.199 1.076 1.238) 1.652 6.695 ( 0.175 10.533 0.695) 10.557 6.885 ( -0.001 -2.528 -0.339) 2.550 7.206 ( 0.167 2.575 -0.141) 2.585 7.247 ( 0.357 -1.886 -0.129) 1.924 7.402 ( -0.656 7.858 -1.226) 7.980 7.460 ( -0.088 5.436 0.931) 5.516 8.064 ( -0.041 2.378 -0.832) 2.520 8.115 ( 0.124 2.399 0.162) 2.408 8.511 ( 0.027 -2.297 0.662) 2.391 8.611 ( -0.068 -3.245 0.611) 3.303 9.155 ( -0.101 4.659 -0.052) 4.661 9.354 ( -0.029 -5.053 -0.075) 5.054 9.571 ( 0.111 -0.184 0.059) 0.223 9.631 ( 0.007 -3.419 -0.234) 3.427 14.874 ( 0.008 -0.266 0.271) 0.380 14.912 ( -0.060 -2.030 -0.258) 2.048 ======================= Grid point 226 (110/256) ======================= q-point: ( 0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 20.706 0.652 -1.324) 20.759 2.257 ( 21.064 -2.613 0.846) 21.242 2.908 ( 5.817 13.042 -1.501) 14.359 3.252 ( 2.211 -3.595 0.506) 4.250 3.407 ( 11.587 16.242 -0.367) 19.954 3.687 ( 10.000 4.486 0.225) 10.963 5.172 ( 0.021 4.193 -1.393) 4.418 5.259 ( -0.203 0.588 0.928) 1.117 6.743 ( 4.125 9.450 0.762) 10.340 6.919 ( 3.321 -2.356 -0.342) 4.086 7.244 ( 3.171 1.228 0.182) 3.405 7.275 ( 1.951 -0.950 -0.104) 2.172 7.427 ( 3.630 8.260 -0.990) 9.076 7.476 ( 2.079 6.085 0.247) 6.435 8.058 ( -0.379 2.430 -0.768) 2.577 8.104 ( -1.260 2.574 0.057) 2.866 8.433 ( -7.151 -1.841 0.659) 7.413 8.532 ( -7.225 -3.554 0.466) 8.065 9.195 ( 3.336 3.814 0.010) 5.067 9.347 ( -0.556 -2.696 0.198) 2.759 9.611 ( 3.290 -1.854 -0.073) 3.777 9.637 ( 0.804 -2.979 -0.304) 3.101 14.961 ( 8.506 -0.340 0.316) 8.518 14.996 ( 8.390 -1.973 -0.317) 8.625 ======================= Grid point 227 (111/256) ======================= q-point: ( 0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.628 ( 20.544 1.232 -1.529) 20.637 2.732 ( 23.812 -3.674 0.701) 24.104 3.107 ( 15.739 11.356 -0.935) 19.431 3.338 ( 6.951 -0.479 0.778) 7.011 3.704 ( 17.788 15.309 -0.549) 23.475 3.947 ( 15.433 4.626 0.103) 16.112 5.182 ( 1.345 3.800 -0.520) 4.065 5.262 ( 0.386 0.484 0.565) 0.838 6.837 ( 4.495 7.164 0.599) 8.479 6.994 ( 3.785 -2.261 -0.266) 4.416 7.295 ( 1.562 0.110 0.143) 1.572 7.315 ( 1.930 0.022 0.421) 1.976 7.510 ( 4.880 11.330 -0.290) 12.340 7.593 ( 9.565 4.942 -0.849) 10.800 8.042 ( -1.265 2.483 -0.524) 2.836 8.066 ( -2.414 2.820 -0.225) 3.719 8.277 ( -8.039 -1.221 0.667) 8.158 8.379 ( -7.017 -3.604 0.169) 7.890 9.252 ( 1.970 2.320 0.178) 3.048 9.337 ( -0.459 -0.495 0.429) 0.800 9.659 ( 1.336 -2.142 -0.420) 2.559 9.669 ( 1.978 -2.866 -0.222) 3.489 15.187 ( 13.575 -0.439 0.349) 13.587 15.217 ( 13.413 -1.902 -0.328) 13.551 ======================= Grid point 228 (112/256) ======================= q-point: ( 0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.921 ( 10.781 3.576 -1.423) 11.448 3.082 ( 10.511 -5.314 0.011) 11.778 3.494 ( 20.906 7.280 -0.360) 22.140 3.563 ( 15.374 4.583 1.147) 16.083 4.064 ( 17.968 13.364 -0.729) 22.404 4.252 ( 14.441 5.301 -0.155) 15.384 5.220 ( 2.353 3.119 0.442) 3.932 5.279 ( 1.233 0.660 0.363) 1.445 6.906 ( 2.350 5.068 0.338) 5.597 7.043 ( 0.823 -1.512 -0.225) 1.736 7.313 ( 0.105 -0.304 0.586) 0.668 7.348 ( 1.613 0.327 0.117) 1.650 7.615 ( 5.303 12.252 -0.366) 13.355 7.785 ( 7.917 2.976 -0.665) 8.484 8.006 ( -1.470 3.533 -0.327) 3.841 8.024 ( -0.977 3.756 -0.228) 3.888 8.142 ( -5.284 -0.167 0.545) 5.315 8.299 ( -1.005 -3.263 -0.030) 3.414 9.277 ( 0.881 0.961 0.235) 1.325 9.335 ( 0.183 -0.357 0.359) 0.538 9.674 ( -0.204 -1.558 -0.370) 1.614 9.678 ( -0.723 -1.998 -0.314) 2.148 15.462 ( 13.341 -0.543 0.325) 13.356 15.487 ( 13.203 -1.831 -0.254) 13.332 ======================= Grid point 229 (113/256) ======================= q-point: ( 0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 6.487 2.893 -1.091) 7.186 3.191 ( 1.969 -2.762 -0.363) 3.412 3.835 ( 12.481 5.940 -0.005) 13.823 3.853 ( 11.531 5.387 0.972) 12.764 4.370 ( 12.404 11.075 -0.877) 16.652 4.475 ( 7.505 6.698 -0.494) 10.071 5.266 ( 1.771 2.634 1.022) 3.334 5.306 ( 1.209 0.882 0.542) 1.592 6.938 ( 1.129 3.893 0.176) 4.057 7.027 ( -1.846 0.738 -0.323) 2.014 7.313 ( 0.009 -1.200 0.457) 1.284 7.369 ( 0.277 -1.349 0.130) 1.384 7.705 ( 3.937 9.989 -0.207) 10.739 7.824 ( -1.992 2.739 -0.161) 3.391 7.986 ( -0.490 3.536 -0.296) 3.582 8.034 ( -1.512 6.282 0.182) 6.464 8.140 ( 6.412 0.929 -0.169) 6.481 8.304 ( 0.273 -1.763 0.059) 1.786 9.301 ( 1.666 -0.387 0.127) 1.715 9.345 ( 0.506 -1.469 0.118) 1.558 9.640 ( -2.070 -0.631 -0.167) 2.170 9.657 ( -1.750 -0.819 -0.324) 1.959 15.680 ( 8.072 -0.590 0.197) 8.096 15.704 ( 8.128 -1.808 -0.073) 8.327 ======================= Grid point 230 (114/256) ======================= q-point: (-0.50 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.165 ( 0.574 0.829 -0.872) 1.333 3.187 ( -0.817 -0.063 -0.725) 1.095 3.960 ( 0.007 5.896 0.256) 5.901 3.975 ( 0.138 5.183 0.799) 5.246 4.516 ( -0.149 8.942 -1.208) 9.025 4.528 ( 0.153 8.411 -0.464) 8.425 5.285 ( -0.198 2.510 1.079) 2.739 5.324 ( 0.244 1.144 0.926) 1.492 6.948 ( -0.601 3.415 -0.038) 3.467 7.003 ( 0.469 2.054 -0.275) 2.125 7.312 ( -0.478 -1.567 0.110) 1.642 7.370 ( 0.315 -2.820 0.360) 2.860 7.770 ( 1.422 6.394 -0.192) 6.553 7.776 ( -1.261 6.474 0.128) 6.597 7.983 ( -0.033 4.866 -0.308) 4.876 8.011 ( -0.051 4.539 0.149) 4.541 8.249 ( 1.698 0.858 0.166) 1.910 8.281 ( -1.452 0.225 -0.153) 1.477 9.331 ( -0.250 -1.451 -0.114) 1.476 9.342 ( 0.064 -2.008 0.020) 2.009 9.624 ( 0.159 -0.091 -0.143) 0.232 9.626 ( 0.109 -0.120 -0.080) 0.181 15.761 ( -0.124 -0.528 0.070) 0.546 15.788 ( 0.149 -1.876 0.096) 1.885 ======================= Grid point 231 (115/256) ======================= q-point: (-0.40 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( -6.583 2.730 -1.176) 7.223 3.176 ( -2.455 -2.742 -0.850) 3.777 3.843 ( -11.610 6.068 0.423) 13.107 3.858 ( -11.872 5.244 0.933) 13.013 4.365 ( -12.365 10.795 -1.009) 16.446 4.472 ( -7.515 6.487 -0.603) 9.946 5.268 ( -1.625 2.530 1.118) 3.208 5.315 ( -1.308 1.596 0.798) 2.212 6.924 ( -1.409 4.003 -0.311) 4.255 7.034 ( 1.836 0.350 -0.057) 1.870 7.299 ( -0.497 -0.845 0.045) 0.981 7.379 ( -0.097 -1.494 0.402) 1.551 7.712 ( -3.677 10.239 0.002) 10.879 7.824 ( 2.191 2.749 -0.150) 3.518 7.983 ( 0.425 3.844 -0.412) 3.890 8.034 ( 1.795 5.710 0.227) 5.990 8.153 ( -6.878 1.076 0.242) 6.966 8.299 ( 0.176 -1.627 -0.120) 1.641 9.298 ( -1.669 -0.472 0.032) 1.734 9.342 ( -0.632 -1.423 0.037) 1.557 9.643 ( 2.144 -0.663 -0.056) 2.245 9.660 ( 1.901 -0.896 -0.214) 2.113 15.676 ( -8.232 -0.396 0.057) 8.242 15.709 ( -7.928 -1.989 0.123) 8.175 ======================= Grid point 232 (116/256) ======================= q-point: (-0.30 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( -10.784 3.268 -1.734) 11.401 3.051 ( -11.279 -4.837 -0.967) 12.310 3.520 ( -20.225 6.820 0.454) 21.349 3.573 ( -15.087 4.713 1.390) 15.866 4.056 ( -17.878 12.926 -0.973) 22.082 4.247 ( -14.419 4.973 -0.322) 15.256 5.236 ( -1.667 2.487 1.004) 3.158 5.282 ( -2.002 2.207 0.377) 3.003 6.888 ( -2.422 5.295 -0.275) 5.829 7.048 ( -0.930 -2.066 -0.024) 2.265 7.294 ( -0.287 0.460 0.058) 0.546 7.359 ( -1.838 -0.208 0.341) 1.881 7.626 ( -5.039 12.578 -0.006) 13.549 7.794 ( -7.148 3.233 -0.306) 7.851 8.005 ( 1.948 2.859 -0.445) 3.488 8.029 ( 0.230 4.075 -0.003) 4.082 8.136 ( 4.877 -0.046 0.371) 4.892 8.302 ( 1.292 -3.216 0.060) 3.466 9.275 ( -0.793 0.856 0.193) 1.183 9.332 ( -0.251 -0.329 0.249) 0.483 9.678 ( 0.353 -1.756 -0.238) 1.807 9.681 ( 0.551 -1.951 -0.247) 2.042 15.457 ( -13.371 -0.277 0.109) 13.374 15.495 ( -13.169 -2.073 0.052) 13.331 ======================= Grid point 233 (117/256) ======================= q-point: (-0.20 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( -19.169 0.686 -2.007) 19.286 2.689 ( -24.095 -2.672 -0.451) 24.247 3.139 ( -15.981 10.646 0.096) 19.203 3.351 ( -7.429 -0.282 1.187) 7.528 3.695 ( -17.601 14.853 -0.840) 23.045 3.943 ( -15.377 4.313 -0.050) 15.970 5.212 ( -0.956 2.589 0.120) 2.763 5.250 ( -1.024 2.536 0.510) 2.782 6.821 ( -4.363 7.531 0.009) 8.704 6.997 ( -3.795 -2.733 -0.110) 4.678 7.278 ( -1.429 0.858 -0.059) 1.668 7.317 ( -2.501 -0.564 0.073) 2.565 7.527 ( -4.427 11.452 0.261) 12.280 7.607 ( -9.625 5.396 -0.316) 11.039 8.046 ( 1.671 1.916 -0.495) 2.590 8.062 ( 2.149 2.795 -0.255) 3.535 8.270 ( 8.037 -1.049 0.476) 8.119 8.382 ( 6.786 -3.560 0.272) 7.668 9.253 ( -1.878 2.245 0.238) 2.937 9.335 ( 0.440 -0.386 0.343) 0.678 9.661 ( -1.354 -2.323 -0.357) 2.713 9.668 ( -2.036 -2.935 -0.222) 3.579 15.183 ( -13.553 -0.217 0.173) 13.556 15.224 ( -13.479 -2.098 -0.057) 13.641 ======================= Grid point 234 (118/256) ======================= q-point: (-0.10 0.43 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -20.374 -0.267 -2.048) 20.478 2.223 ( -19.799 -1.641 0.665) 19.878 2.925 ( -6.410 12.804 -0.957) 14.351 3.260 ( -2.598 -3.403 0.775) 4.351 3.400 ( -11.312 15.932 -0.610) 19.549 3.684 ( -9.931 4.298 0.138) 10.822 5.195 ( -0.566 3.399 -1.309) 3.686 5.248 ( 0.328 1.867 1.216) 2.252 6.734 ( -3.844 9.737 0.399) 10.476 6.921 ( -3.313 -2.647 -0.243) 4.248 7.236 ( -2.569 1.820 -0.079) 3.149 7.267 ( -2.083 -1.149 -0.363) 2.406 7.457 ( -4.930 6.864 -0.758) 8.485 7.472 ( -1.567 7.552 0.883) 7.764 8.063 ( 0.384 2.032 -0.744) 2.198 8.099 ( 1.403 2.558 0.025) 2.917 8.429 ( 7.165 -1.811 0.551) 7.411 8.533 ( 7.019 -3.475 0.475) 7.846 9.198 ( -3.400 3.789 0.106) 5.092 9.347 ( 0.617 -2.557 0.190) 2.638 9.609 ( -3.269 -1.913 -0.165) 3.792 9.638 ( -0.792 -3.171 -0.262) 3.279 14.959 ( -8.483 -0.220 0.226) 8.489 15.000 ( -8.499 -2.076 -0.167) 8.750 ======================= Grid point 235 (119/256) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 0.403 -1.430 -0.366) 1.530 1.982 ( 0.403 1.430 -0.366) 1.530 3.081 ( -0.227 -9.438 -0.359) 9.448 3.081 ( -0.227 9.438 -0.359) 9.448 3.551 ( 0.181 -7.902 -0.067) 7.904 3.551 ( 0.181 7.902 -0.067) 7.904 5.237 ( -0.154 -2.200 -0.550) 2.273 5.237 ( -0.154 2.200 -0.550) 2.273 6.819 ( 0.016 -3.567 0.470) 3.598 6.819 ( 0.016 3.567 0.470) 3.598 7.238 ( 0.259 -0.459 -0.424) 0.677 7.238 ( 0.259 0.459 -0.424) 0.677 7.507 ( -0.365 -1.602 -0.306) 1.671 7.507 ( -0.365 1.602 -0.306) 1.671 8.115 ( 0.088 -2.135 -0.027) 2.137 8.115 ( 0.088 2.135 -0.027) 2.137 8.530 ( -0.046 -3.740 0.636) 3.794 8.530 ( -0.046 3.740 0.636) 3.794 9.253 ( -0.076 -5.112 -0.057) 5.112 9.253 ( -0.076 5.112 -0.057) 5.112 9.581 ( 0.089 -1.433 -0.085) 1.439 9.581 ( 0.089 1.433 -0.085) 1.439 14.881 ( -0.030 -1.004 0.021) 1.005 14.881 ( -0.030 1.004 0.021) 1.005 ======================= Grid point 237 (120/256) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( 20.708 -1.845 -0.241) 20.791 2.211 ( 20.708 1.845 -0.241) 20.791 3.122 ( 4.611 -8.635 -0.363) 9.796 3.122 ( 4.611 8.635 -0.363) 9.796 3.660 ( 10.421 -7.449 -0.051) 12.809 3.660 ( 10.421 7.449 -0.051) 12.809 5.231 ( -0.186 -2.463 -0.501) 2.520 5.231 ( -0.186 2.463 -0.501) 2.520 6.855 ( 3.291 -3.396 0.506) 4.756 6.855 ( 3.291 3.396 0.506) 4.756 7.266 ( 2.208 -0.696 -0.213) 2.324 7.266 ( 2.208 0.696 -0.213) 2.324 7.535 ( 3.625 -1.353 -0.618) 3.918 7.535 ( 3.625 1.353 -0.618) 3.918 8.108 ( -0.748 -2.035 -0.040) 2.168 8.108 ( -0.748 2.035 -0.040) 2.168 8.452 ( -7.150 -3.574 0.570) 8.014 8.452 ( -7.150 3.574 0.570) 8.014 9.276 ( 1.823 -4.122 0.090) 4.508 9.276 ( 1.823 4.122 0.090) 4.508 9.599 ( 1.681 -0.683 -0.158) 1.822 9.599 ( 1.681 0.683 -0.158) 1.822 14.967 ( 8.440 -0.915 0.013) 8.489 14.967 ( 8.440 0.915 0.013) 8.489 ======================= Grid point 239 (121/256) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.666 ( 22.122 -2.717 -0.423) 22.293 2.666 ( 22.122 2.717 -0.423) 22.293 3.276 ( 11.899 -5.726 -0.005) 13.205 3.276 ( 11.899 5.726 -0.005) 13.205 3.931 ( 16.242 -6.508 -0.219) 17.499 3.931 ( 16.242 6.508 -0.219) 17.499 5.234 ( 0.721 -2.229 -0.127) 2.346 5.234 ( 0.721 2.229 -0.127) 2.346 6.930 ( 3.611 -3.362 0.523) 4.961 6.930 ( 3.611 3.362 0.523) 4.961 7.305 ( 1.663 -0.771 -0.051) 1.833 7.305 ( 1.663 0.771 -0.051) 1.833 7.649 ( 7.642 -1.696 -0.823) 7.871 7.649 ( 7.642 1.696 -0.823) 7.871 8.085 ( -1.562 -1.492 -0.126) 2.163 8.085 ( -1.562 1.492 -0.126) 2.163 8.298 ( -7.402 -3.666 0.462) 8.273 8.298 ( -7.402 3.666 0.462) 8.273 9.302 ( 0.591 -2.542 0.308) 2.628 9.302 ( 0.591 2.542 0.308) 2.628 9.637 ( 1.874 -0.201 -0.307) 1.910 9.637 ( 1.874 0.201 -0.307) 1.910 15.190 ( 13.484 -0.791 0.026) 13.507 15.190 ( 13.484 0.791 0.026) 13.507 ======================= Grid point 241 (122/256) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 11.098 -3.911 -0.709) 11.788 2.991 ( 11.098 3.911 -0.709) 11.788 3.590 ( 18.169 -1.902 0.415) 18.273 3.590 ( 18.169 1.902 0.415) 18.273 4.257 ( 15.919 -5.093 -0.542) 16.722 4.257 ( 15.919 5.093 -0.542) 16.722 5.259 ( 1.669 -1.667 0.433) 2.398 5.259 ( 1.669 1.667 0.433) 2.398 6.983 ( 1.519 -3.332 0.467) 3.692 6.983 ( 1.519 3.332 0.467) 3.692 7.328 ( 0.597 -1.401 -0.058) 1.524 7.328 ( 0.597 1.401 -0.058) 1.524 7.789 ( 5.245 -4.055 -0.670) 6.663 7.789 ( 5.245 4.055 -0.670) 6.663 8.057 ( -0.550 -2.115 -0.092) 2.187 8.057 ( -0.550 2.115 -0.092) 2.187 8.202 ( -1.815 -6.202 0.242) 6.467 8.202 ( -1.815 6.202 0.242) 6.467 9.306 ( -0.039 -1.870 0.297) 1.894 9.306 ( -0.039 1.870 0.297) 1.894 9.657 ( 0.026 -0.133 -0.319) 0.347 9.657 ( 0.026 0.133 -0.319) 0.347 15.463 ( 13.261 -0.654 0.052) 13.278 15.463 ( 13.261 0.654 0.052) 13.278 ======================= Grid point 243 (123/256) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.137 ( 4.609 -2.626 -0.775) 5.361 3.137 ( 4.609 2.626 -0.775) 5.361 3.903 ( 11.892 -0.535 0.504) 11.915 3.903 ( 11.892 0.535 0.504) 11.915 4.517 ( 9.811 -2.921 -0.921) 10.278 4.517 ( 9.811 2.921 -0.921) 10.278 5.294 ( 1.452 -1.105 0.996) 2.079 5.294 ( 1.452 1.105 0.996) 2.079 6.998 ( 0.092 -2.486 0.294) 2.506 6.998 ( 0.092 2.486 0.294) 2.506 7.326 ( -0.667 -2.023 -0.042) 2.130 7.326 ( -0.667 2.023 -0.042) 2.130 7.834 ( 0.499 -2.428 -0.243) 2.491 7.834 ( 0.499 2.428 -0.243) 2.491 8.062 ( 0.287 -3.450 0.009) 3.462 8.062 ( 0.287 3.450 0.009) 3.462 8.227 ( 3.173 -6.144 -0.085) 6.916 8.227 ( 3.173 6.144 -0.085) 6.916 9.310 ( 0.439 -1.397 0.101) 1.468 9.310 ( 0.439 1.397 0.101) 1.468 9.639 ( -1.433 -0.571 -0.199) 1.556 9.639 ( -1.434 0.571 -0.199) 1.556 15.680 ( 8.093 -0.590 0.081) 8.115 15.680 ( 8.093 0.590 0.081) 8.115 ======================= Grid point 245 (124/256) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.179 ( -0.135 -0.596 -0.882) 1.073 3.179 ( -0.135 0.597 -0.882) 1.073 4.025 ( 0.065 -0.403 0.547) 0.683 4.025 ( 0.065 0.403 0.547) 0.683 4.614 ( -0.037 -0.322 -1.159) 1.203 4.614 ( -0.037 0.322 -1.159) 1.203 5.313 ( 0.078 -1.134 1.330) 1.749 5.313 ( 0.079 1.134 1.330) 1.749 6.996 ( -0.180 -1.758 0.136) 1.773 6.996 ( -0.180 1.758 0.136) 1.773 7.317 ( 0.040 -1.920 -0.001) 1.920 7.317 ( 0.040 1.920 -0.001) 1.920 7.837 ( 0.064 -0.227 -0.075) 0.248 7.837 ( 0.064 0.227 -0.075) 0.248 8.064 ( 0.073 -1.130 0.096) 1.137 8.064 ( 0.073 1.130 0.096) 1.137 8.267 ( 0.050 -1.224 -0.153) 1.235 8.267 ( 0.050 1.224 -0.153) 1.235 9.316 ( -0.086 -0.275 -0.082) 0.299 9.316 ( -0.086 0.275 -0.082) 0.299 9.621 ( 0.104 -0.091 -0.062) 0.151 9.621 ( 0.104 0.091 -0.062) 0.151 15.762 ( 0.012 -0.678 0.103) 0.686 15.762 ( 0.012 0.678 0.103) 0.686 ======================= Grid point 247 (125/256) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -4.883 -2.171 -1.078) 5.452 3.127 ( -4.883 2.171 -1.078) 5.452 3.909 ( -11.665 -0.410 0.685) 11.693 3.909 ( -11.665 0.410 0.685) 11.693 4.510 ( -9.836 -3.021 -1.116) 10.350 4.510 ( -9.836 3.021 -1.116) 10.350 5.303 ( -1.361 -1.601 1.268) 2.454 5.303 ( -1.361 1.601 1.268) 2.454 6.992 ( -0.381 -3.104 0.106) 3.129 6.992 ( -0.381 3.104 0.106) 3.129 7.327 ( 0.674 -2.730 -0.021) 2.812 7.327 ( 0.674 2.730 -0.021) 2.812 7.837 ( -0.187 -2.144 -0.132) 2.157 7.837 ( -0.187 2.144 -0.132) 2.157 8.064 ( -0.308 -3.387 0.091) 3.402 8.064 ( -0.308 3.387 0.091) 3.402 8.228 ( -3.111 -5.533 -0.060) 6.348 8.228 ( -3.111 5.533 -0.060) 6.348 9.307 ( -0.520 -1.460 0.010) 1.550 9.307 ( -0.520 1.460 0.010) 1.550 9.642 ( 1.527 -0.558 -0.111) 1.629 9.642 ( 1.527 0.558 -0.111) 1.629 15.681 ( -8.075 -0.850 0.110) 8.121 15.681 ( -8.075 0.850 0.110) 8.121 ======================= Grid point 249 (126/256) ======================= q-point: (-0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.971 ( -11.357 -3.315 -1.319) 11.904 2.971 ( -11.357 3.315 -1.319) 11.904 3.605 ( -17.811 -1.427 0.867) 17.889 3.605 ( -17.811 1.427 0.867) 17.889 4.247 ( -15.832 -5.253 -0.862) 16.703 4.247 ( -15.832 5.253 -0.862) 16.703 5.273 ( -1.716 -1.703 0.868) 2.568 5.273 ( -1.716 1.703 0.868) 2.568 6.975 ( -1.600 -3.927 0.196) 4.245 6.975 ( -1.600 3.927 0.196) 4.245 7.328 ( -0.787 -2.137 -0.108) 2.280 7.328 ( -0.787 2.137 -0.108) 2.280 7.800 ( -4.621 -4.006 -0.272) 6.122 7.800 ( -4.621 4.006 -0.272) 6.122 8.055 ( 0.254 -2.252 -0.150) 2.272 8.055 ( 0.254 2.252 -0.150) 2.272 8.204 ( 1.778 -6.399 0.295) 6.648 8.204 ( 1.778 6.399 0.295) 6.648 9.303 ( 0.055 -1.835 0.208) 1.847 9.303 ( 0.055 1.835 0.208) 1.847 9.659 ( -0.053 -0.147 -0.245) 0.290 9.659 ( -0.053 0.147 -0.245) 0.290 15.464 ( -13.262 -0.993 0.101) 13.300 15.464 ( -13.262 0.993 0.101) 13.300 ======================= Grid point 251 (127/256) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.642 ( -21.631 -1.843 -1.153) 21.740 2.642 ( -21.631 1.843 -1.153) 21.740 3.296 ( -12.212 -5.176 0.585) 13.277 3.296 ( -12.212 5.176 0.585) 13.277 3.921 ( -16.039 -6.715 -0.538) 17.396 3.921 ( -16.039 6.715 -0.538) 17.396 5.247 ( -0.896 -1.495 0.301) 1.769 5.247 ( -0.896 1.495 0.301) 1.769 6.924 ( -3.549 -3.844 0.316) 5.241 6.924 ( -3.549 3.844 0.316) 5.241 7.299 ( -1.869 -0.951 -0.270) 2.114 7.299 ( -1.869 0.951 -0.269) 2.114 7.667 ( -7.405 -1.682 -0.222) 7.596 7.667 ( -7.405 1.682 -0.222) 7.596 8.080 ( 1.649 -1.192 -0.262) 2.052 8.080 ( 1.649 1.192 -0.262) 2.052 8.299 ( 7.167 -4.009 0.481) 8.226 8.299 ( 7.167 4.009 0.481) 8.226 9.302 ( -0.513 -2.426 0.299) 2.497 9.302 ( -0.513 2.426 0.299) 2.497 9.637 ( -1.939 -0.133 -0.316) 1.969 9.637 ( -1.939 0.133 -0.316) 1.969 15.192 ( -13.510 -1.061 0.077) 13.552 15.192 ( -13.510 1.061 0.077) 13.552 ======================= Grid point 253 (128/256) ======================= q-point: (-0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -19.972 -0.780 -0.673) 19.998 2.198 ( -19.972 0.780 -0.673) 19.998 3.132 ( -5.087 -8.339 -0.027) 9.768 3.132 ( -5.087 8.339 -0.027) 9.768 3.654 ( -10.114 -7.617 -0.251) 12.664 3.654 ( -10.114 7.617 -0.251) 12.664 5.239 ( -0.082 -1.661 -0.238) 1.680 5.239 ( -0.082 1.661 -0.238) 1.680 6.852 ( -3.246 -3.663 0.406) 4.911 6.852 ( -3.246 3.663 0.406) 4.911 7.259 ( -1.915 -0.119 -0.437) 1.968 7.259 ( -1.915 0.119 -0.437) 1.968 7.550 ( -4.055 -0.686 -0.160) 4.116 7.550 ( -4.055 0.686 -0.160) 4.116 8.105 ( 0.895 -1.722 -0.133) 1.945 8.105 ( 0.895 1.722 -0.133) 1.945 8.451 ( 6.987 -3.737 0.547) 7.942 8.451 ( 6.987 3.737 0.547) 7.942 9.278 ( -1.840 -4.045 0.150) 4.446 9.278 ( -1.840 4.045 0.150) 4.446 9.597 ( -1.622 -0.789 -0.222) 1.818 9.597 ( -1.622 0.789 -0.222) 1.818 14.968 ( -8.491 -1.057 0.046) 8.556 14.968 ( -8.491 1.057 0.046) 8.556 ======================= Grid point 315 (129/256) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 4.247 0.000 7.238) 8.392 0.548 ( 0.786 0.000 9.252) 9.285 0.944 ( -1.835 0.000 16.262) 16.365 1.975 ( -0.915 0.000 -4.518) 4.610 2.513 ( 0.679 0.000 5.603) 5.643 2.726 ( -0.112 0.000 -2.004) 2.007 3.236 ( -0.298 0.000 -1.836) 1.860 4.050 ( -0.043 0.000 0.926) 0.927 4.119 ( -0.423 0.000 -5.315) 5.332 4.163 ( -0.004 0.000 -0.743) 0.743 6.440 ( -0.011 0.000 0.436) 0.436 6.473 ( 0.058 0.000 -0.128) 0.140 7.210 ( -0.407 0.000 1.059) 1.135 7.277 ( 0.086 0.000 0.086) 0.122 7.328 ( -0.025 0.000 -0.032) 0.041 8.052 ( 0.129 0.000 -1.098) 1.106 8.226 ( 0.517 0.000 0.404) 0.656 8.286 ( -0.280 0.000 0.496) 0.569 9.263 ( 1.060 0.000 0.550) 1.195 9.415 ( 0.133 0.000 -0.329) 0.355 9.687 ( 0.211 0.000 -0.156) 0.263 10.588 ( -0.576 0.000 0.162) 0.599 15.202 ( -0.082 0.000 -0.453) 0.460 15.231 ( 0.584 0.000 -0.001) 0.584 ======================= Grid point 316 (130/256) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 18.725 0.000 5.283) 19.456 0.925 ( 4.342 0.000 14.751) 15.377 1.131 ( 42.074 0.000 0.557) 42.078 2.238 ( 24.946 0.000 -2.205) 25.043 2.686 ( -3.233 0.000 -1.682) 3.644 2.733 ( 18.942 0.000 3.941) 19.347 3.370 ( 13.270 0.000 -1.179) 13.323 4.079 ( -2.240 0.000 -4.356) 4.898 4.125 ( 7.081 0.000 0.845) 7.131 4.229 ( 6.617 0.000 -0.666) 6.651 6.437 ( -0.409 0.000 0.375) 0.554 6.463 ( -0.917 0.000 -0.169) 0.933 7.278 ( 0.063 0.000 0.043) 0.076 7.293 ( 7.179 0.000 0.667) 7.210 7.324 ( -0.297 0.000 -0.039) 0.300 8.088 ( 2.409 0.000 -0.313) 2.429 8.204 ( -1.681 0.000 -1.029) 1.971 8.296 ( 2.289 0.000 1.080) 2.532 9.425 ( 1.828 0.000 -1.400) 2.302 9.450 ( 12.145 0.000 -3.034) 12.518 9.565 ( -11.210 0.000 -0.536) 11.223 10.547 ( -3.133 0.000 1.800) 3.614 15.258 ( 6.009 0.000 0.015) 6.009 15.315 ( 8.141 0.000 0.076) 8.142 ======================= Grid point 317 (131/256) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 17.898 0.000 8.085) 19.639 1.209 ( 21.010 0.000 2.493) 21.157 1.935 ( 35.630 0.000 -0.442) 35.633 2.599 ( -5.094 0.000 -1.220) 5.238 2.808 ( 30.829 0.000 -0.650) 30.836 3.200 ( 25.845 0.000 2.374) 25.954 3.692 ( 18.080 0.000 -0.177) 18.080 4.025 ( -1.744 0.000 -2.830) 3.324 4.309 ( 10.795 0.000 0.719) 10.819 4.400 ( 10.172 0.000 -0.533) 10.186 6.425 ( -0.908 0.000 0.211) 0.932 6.438 ( -1.528 0.000 -0.186) 1.539 7.280 ( 0.143 0.000 0.008) 0.143 7.316 ( -0.488 0.000 -0.052) 0.491 7.456 ( 8.818 0.000 0.727) 8.848 8.098 ( -1.191 0.000 0.900) 1.493 8.167 ( -1.808 0.000 -2.151) 2.810 8.425 ( 10.335 0.000 0.244) 10.338 9.262 ( -17.113 0.000 -0.081) 17.113 9.464 ( 2.859 0.000 -0.703) 2.944 9.657 ( 7.279 0.000 -4.221) 8.414 10.479 ( -4.552 0.000 2.168) 5.042 15.434 ( 11.341 0.000 0.061) 11.341 15.538 ( 13.711 0.000 -0.061) 13.712 ======================= Grid point 318 (132/256) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 18.548 0.000 1.075) 18.579 1.610 ( 24.702 0.000 2.488) 24.827 2.454 ( 16.117 0.000 -0.630) 16.129 2.484 ( -6.420 0.000 -0.695) 6.457 3.379 ( 26.142 0.000 -0.073) 26.142 3.702 ( 23.570 0.000 1.541) 23.620 4.003 ( 5.064 0.000 -0.588) 5.098 4.041 ( 11.359 0.000 0.088) 11.359 4.526 ( 10.455 0.000 0.580) 10.471 4.598 ( 9.442 0.000 -0.360) 9.449 6.404 ( -1.229 0.000 -0.145) 1.237 6.406 ( -1.542 0.000 -0.037) 1.542 7.284 ( 0.298 0.000 -0.104) 0.316 7.305 ( -0.585 0.000 0.038) 0.587 7.637 ( 9.520 0.000 0.434) 9.530 8.071 ( -1.375 0.000 0.759) 1.571 8.123 ( -2.053 0.000 -1.824) 2.747 8.654 ( 9.998 0.000 -0.687) 10.022 8.929 ( -13.782 0.000 0.115) 13.782 9.537 ( 4.018 0.000 0.204) 4.024 9.721 ( 0.922 0.000 -2.904) 3.046 10.370 ( -7.130 0.000 1.324) 7.252 15.674 ( 12.211 0.000 -0.145) 12.212 15.815 ( 13.487 0.000 -0.184) 13.488 ======================= Grid point 319 (133/256) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 14.718 0.000 0.231) 14.720 2.094 ( 23.237 0.000 -0.931) 23.256 2.340 ( -8.282 0.000 -0.125) 8.283 2.561 ( -4.146 0.000 0.146) 4.148 3.804 ( 16.510 0.000 0.185) 16.511 4.048 ( 1.956 0.000 1.115) 2.252 4.101 ( 15.188 0.000 -0.556) 15.199 4.255 ( 6.721 0.000 1.579) 6.904 4.701 ( 6.774 0.000 0.392) 6.785 4.746 ( 5.127 0.000 -0.136) 5.129 6.380 ( -0.916 0.000 -0.371) 0.988 6.381 ( -0.983 0.000 0.035) 0.983 7.289 ( -0.067 0.000 -0.561) 0.565 7.296 ( -0.116 0.000 0.507) 0.521 7.836 ( 10.293 0.000 0.217) 10.295 8.052 ( -1.151 0.000 1.223) 1.679 8.089 ( 0.057 0.000 -2.125) 2.126 8.510 ( -15.867 0.000 -1.209) 15.913 9.021 ( 14.542 0.000 0.132) 14.543 9.532 ( -6.580 0.000 0.309) 6.587 9.776 ( 7.305 0.000 -1.229) 7.408 10.206 ( -9.574 0.000 0.242) 9.577 15.880 ( 7.966 0.000 -0.199) 7.969 16.032 ( 7.906 0.000 -0.256) 7.910 ======================= Grid point 320 (134/256) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -10.240 0.000 1.122) 10.301 2.190 ( 9.981 0.000 -0.983) 10.029 2.341 ( -16.324 0.000 0.473) 16.331 2.486 ( 15.244 0.000 -1.451) 15.313 4.020 ( -1.636 0.000 -1.126) 1.986 4.024 ( 2.095 0.000 1.494) 2.573 4.257 ( -2.815 0.000 0.921) 2.962 4.328 ( 2.800 0.000 1.114) 3.013 4.777 ( 0.160 0.000 0.145) 0.216 4.791 ( -0.146 0.000 0.109) 0.182 6.370 ( -0.073 0.000 -0.406) 0.412 6.371 ( 0.018 0.000 0.049) 0.052 7.280 ( -0.470 0.000 -0.069) 0.475 7.302 ( 0.403 0.000 0.053) 0.406 7.974 ( 0.429 0.000 0.042) 0.431 8.014 ( -1.675 0.000 1.139) 2.026 8.185 ( 5.947 0.000 -0.888) 6.013 8.241 ( -4.348 0.000 -2.380) 4.957 9.303 ( 9.446 0.000 -0.076) 9.446 9.324 ( -9.757 0.000 0.256) 9.760 9.960 ( 9.671 0.000 -0.068) 9.672 10.005 ( -9.724 0.000 -0.334) 9.729 15.964 ( 0.252 0.000 -0.275) 0.373 16.107 ( -0.352 0.000 -0.147) 0.381 ======================= Grid point 321 (135/256) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -15.297 0.000 1.541) 15.374 1.942 ( -23.561 0.000 3.359) 23.799 2.374 ( 8.252 0.000 -1.113) 8.327 2.662 ( 1.454 0.000 -2.349) 2.763 3.821 ( -15.043 0.000 -1.048) 15.079 4.020 ( -10.517 0.000 1.247) 10.590 4.102 ( -6.831 0.000 1.445) 6.983 4.299 ( -6.339 0.000 -0.534) 6.362 4.703 ( -6.913 0.000 0.351) 6.922 4.745 ( -4.976 0.000 -0.147) 4.979 6.376 ( 0.813 0.000 -0.311) 0.870 6.382 ( 1.001 0.000 0.090) 1.005 7.273 ( -0.271 0.000 0.189) 0.331 7.310 ( 0.347 0.000 -0.160) 0.382 7.839 ( -9.870 0.000 0.147) 9.871 8.036 ( 1.517 0.000 0.741) 1.689 8.113 ( -1.055 0.000 -1.998) 2.259 8.503 ( 16.698 0.000 -0.875) 16.721 9.024 ( -15.380 0.000 0.089) 15.380 9.525 ( 7.803 0.000 0.392) 7.813 9.801 ( -8.610 0.000 -2.114) 8.866 10.172 ( 9.962 0.000 1.527) 10.078 15.886 ( -7.761 0.000 -0.418) 7.772 16.019 ( -8.313 0.000 0.156) 8.314 ======================= Grid point 322 (136/256) ======================= q-point: (-0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -24.706 0.000 6.535) 25.556 1.554 ( -19.405 0.000 2.666) 19.588 2.483 ( -19.804 0.000 -0.711) 19.817 2.514 ( 6.445 0.000 -1.567) 6.633 3.426 ( -24.448 0.000 -2.439) 24.570 3.646 ( -24.100 0.000 3.198) 24.311 4.010 ( -8.673 0.000 0.748) 8.705 4.122 ( -6.767 0.000 -3.264) 7.513 4.526 ( -10.709 0.000 0.565) 10.724 4.601 ( -9.219 0.000 -0.424) 9.229 6.397 ( 1.291 0.000 -0.111) 1.296 6.407 ( 1.457 0.000 0.111) 1.461 7.270 ( -0.048 0.000 0.286) 0.290 7.316 ( 0.294 0.000 -0.219) 0.367 7.648 ( -9.301 0.000 0.089) 9.302 8.068 ( 1.660 0.000 0.581) 1.759 8.119 ( 1.468 0.000 -1.508) 2.105 8.644 ( -10.614 0.000 -0.144) 10.615 8.928 ( 14.174 0.000 0.125) 14.174 9.551 ( -4.696 0.000 -0.311) 4.706 9.717 ( 0.274 0.000 -3.183) 3.195 10.350 ( 7.469 0.000 2.233) 7.796 15.678 ( -12.541 0.000 -0.242) 12.544 15.800 ( -13.433 0.000 0.313) 13.436 ======================= Grid point 323 (137/256) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 256 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( -17.606 0.000 11.304) 20.922 1.151 ( -22.011 0.000 4.377) 22.442 1.902 ( -37.859 0.000 1.349) 37.883 2.623 ( 5.061 0.000 -1.903) 5.407 2.871 ( -30.150 0.000 -3.619) 30.366 3.145 ( -26.502 0.000 4.266) 26.843 3.713 ( -17.815 0.000 -0.353) 17.818 4.093 ( 1.730 0.000 -4.810) 5.111 4.307 ( -11.051 0.000 0.740) 11.076 4.404 ( -9.996 0.000 -0.624) 10.016 6.421 ( 0.990 0.000 0.211) 1.012 6.437 ( 1.487 0.000 -0.012) 1.487 7.271 ( 0.091 0.000 0.248) 0.264 7.321 ( 0.293 0.000 -0.161) 0.334 7.471 ( -8.854 0.000 0.292) 8.859 8.104 ( 1.485 0.000 0.897) 1.735 8.145 ( 1.216 0.000 -1.712) 2.100 8.414 ( -9.851 0.000 0.834) 9.886 9.262 ( 17.002 0.000 -0.094) 17.002 9.457 ( -3.650 0.000 -0.813) 3.739 9.669 ( -5.627 0.000 -5.290) 7.723 10.475 ( 4.738 0.000 2.802) 5.504 15.428 ( -11.868 0.000 0.489) 11.878 15.526 ( -13.511 0.000 0.227) 13.513 ======================= Grid point 324 (138/256) ======================= q-point: (-0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -19.204 0.000 7.236) 20.522 0.869 ( -9.077 0.000 14.651) 17.235 1.089 ( -39.042 0.000 4.483) 39.298 2.287 ( -25.767 0.000 -4.547) 26.165 2.690 ( -18.795 0.000 5.371) 19.547 2.700 ( 3.083 0.000 -2.071) 3.714 3.387 ( -13.483 0.000 -1.350) 13.550 4.119 ( 1.656 0.000 -5.511) 5.754 4.123 ( -7.240 0.000 0.877) 7.293 4.232 ( -6.560 0.000 -0.732) 6.601 6.435 ( 0.411 0.000 0.398) 0.572 6.462 ( 0.996 0.000 -0.089) 1.000 7.274 ( 0.126 0.000 0.160) 0.204 7.304 ( -7.766 0.000 0.247) 7.770 7.326 ( 0.208 0.000 -0.075) 0.221 8.092 ( -2.811 0.000 -0.598) 2.874 8.179 ( 2.926 0.000 0.062) 2.926 8.300 ( -2.198 0.000 0.846) 2.355 9.398 ( -4.373 0.000 -2.101) 4.852 9.464 ( -9.568 0.000 -2.879) 9.992 9.560 ( 11.273 0.000 -0.417) 11.280 10.557 ( 3.040 0.000 1.866) 3.567 15.252 ( -5.575 0.000 0.726) 5.622 15.305 ( -8.175 0.000 0.255) 8.179 ======================= Grid point 325 (139/256) ======================= q-point: ( 0.00 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 2.304 16.788 4.640) 17.569 0.981 ( -1.301 8.567 13.292) 15.867 1.300 ( 0.187 50.236 2.783) 50.313 1.968 ( -0.891 -0.589 -4.305) 4.436 2.470 ( 0.696 -3.606 5.028) 6.227 3.010 ( -0.974 4.459 -0.931) 4.659 3.029 ( 0.681 8.231 -1.211) 8.347 4.077 ( -0.163 -3.650 -4.677) 5.935 4.346 ( -0.206 17.650 -0.442) 17.656 4.440 ( -0.110 31.004 0.165) 31.005 6.598 ( 0.120 11.995 0.074) 11.996 6.615 ( -0.066 11.996 0.279) 12.000 7.241 ( -0.395 2.930 1.046) 3.136 7.477 ( -0.012 17.396 3.733) 17.792 7.995 ( 1.319 13.700 -7.854) 15.846 8.020 ( -0.553 9.818 -5.979) 11.508 8.248 ( 0.036 -0.659 -0.316) 0.732 8.311 ( -0.513 19.598 -10.355) 22.171 9.237 ( 1.204 -2.556 0.491) 2.868 9.394 ( -0.112 -1.370 -0.528) 1.472 9.678 ( 0.225 -0.971 -0.157) 1.009 10.444 ( -0.517 -12.784 1.191) 12.850 15.156 ( 0.139 -3.929 0.501) 3.963 15.201 ( 0.188 -2.402 0.071) 2.410 ======================= Grid point 326 (140/256) ======================= q-point: ( 0.10 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 2.885 7.296 11.567) 13.977 1.091 ( 29.454 12.308 2.246) 32.001 1.489 ( 20.079 40.799 0.917) 45.482 2.227 ( 24.613 -0.905 -2.061) 24.715 2.688 ( 18.689 -3.517 3.275) 19.297 2.986 ( -2.694 26.347 -0.394) 26.488 3.162 ( 13.581 -12.670 -0.832) 18.592 4.031 ( -2.881 -3.854 -3.934) 6.215 4.425 ( 7.646 18.264 -0.358) 19.803 4.511 ( 6.943 30.651 0.248) 31.428 6.585 ( -1.424 11.385 -0.053) 11.474 6.594 ( -1.897 11.967 0.332) 12.121 7.277 ( 3.397 2.819 0.824) 4.491 7.473 ( -1.177 16.875 2.963) 17.174 7.894 ( -7.643 37.393 -10.179) 39.500 8.055 ( 3.501 -3.244 -0.495) 4.798 8.180 ( -3.722 -1.071 -1.090) 4.023 8.268 ( 0.861 -1.963 0.412) 2.183 9.388 ( 3.049 -3.562 -1.699) 4.987 9.444 ( 10.449 -0.070 -2.935) 10.854 9.551 ( -11.340 -1.405 -0.598) 11.443 10.435 ( -0.930 -10.247 1.838) 10.452 15.224 ( 6.715 -3.036 0.347) 7.377 15.289 ( 8.517 -2.300 -0.022) 8.822 ======================= Grid point 327 (141/256) ======================= q-point: ( 0.20 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 16.907 5.133 6.400) 18.793 1.555 ( 18.755 25.744 1.921) 31.909 2.057 ( 31.282 15.480 -0.719) 34.911 2.788 ( 29.295 -1.225 -0.481) 29.325 2.905 ( -3.020 26.879 -0.771) 27.059 3.153 ( 24.865 -3.501 2.174) 25.205 3.492 ( 18.383 -12.121 0.101) 22.020 3.967 ( -2.222 -4.656 -2.691) 5.819 4.617 ( 11.275 19.809 -0.205) 22.794 4.692 ( 10.619 29.851 0.340) 31.686 6.546 ( -2.310 10.239 -0.143) 10.498 6.551 ( -2.441 10.664 0.283) 10.944 7.352 ( 3.408 4.160 0.288) 5.385 7.450 ( -1.612 14.565 1.139) 14.698 7.764 ( -2.686 25.884 -2.169) 26.113 8.075 ( -1.250 -2.330 0.547) 2.700 8.146 ( -1.018 -1.771 -1.766) 2.700 8.373 ( 10.042 -5.147 0.118) 11.285 9.245 ( -17.039 -1.649 -0.099) 17.119 9.428 ( 2.629 -3.363 -0.744) 4.333 9.637 ( 6.725 -1.709 -3.895) 7.957 10.403 ( -3.172 -7.210 1.876) 8.097 15.412 ( 11.798 -2.037 0.082) 11.973 15.517 ( 13.828 -2.021 -0.116) 13.976 ======================= Grid point 328 (142/256) ======================= q-point: ( 0.30 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 23.421 3.016 1.943) 23.694 1.899 ( 15.914 25.106 1.100) 29.745 2.538 ( 15.712 9.541 -0.656) 18.393 2.799 ( -5.416 27.529 -0.477) 28.061 3.359 ( 25.722 -1.488 -0.061) 25.765 3.630 ( 21.733 -5.294 1.423) 22.414 3.834 ( 15.242 -11.061 0.687) 18.844 3.955 ( 2.076 -5.059 -1.473) 5.663 4.841 ( 10.843 21.620 0.051) 24.187 4.902 ( 9.940 28.737 0.407) 30.410 6.501 ( -2.126 8.905 -0.196) 9.157 6.503 ( -2.366 8.964 0.142) 9.272 7.395 ( 0.895 7.860 0.466) 7.925 7.421 ( -1.275 11.851 -0.286) 11.923 7.784 ( 4.613 14.046 -0.033) 14.785 8.046 ( -1.377 -2.516 0.081) 2.869 8.112 ( -1.773 -0.696 -1.065) 2.182 8.609 ( 11.363 -4.513 -0.685) 12.246 8.912 ( -14.456 -1.382 0.034) 14.522 9.496 ( 3.713 -3.926 0.132) 5.405 9.695 ( 0.747 -2.403 -2.603) 3.620 10.312 ( -6.431 -5.509 1.148) 8.545 15.659 ( 12.408 -1.492 -0.136) 12.498 15.795 ( 13.514 -1.942 -0.191) 13.654 ======================= Grid point 329 (143/256) ======================= q-point: ( 0.40 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 19.888 1.975 -0.491) 19.992 2.174 ( 11.290 20.895 0.503) 23.756 2.658 ( -2.053 10.752 0.439) 10.955 2.691 ( -4.997 27.755 -0.782) 28.213 3.774 ( 15.927 -2.505 0.178) 16.124 3.954 ( 7.763 -7.309 2.184) 10.884 4.027 ( 7.858 -5.299 -2.252) 9.742 4.085 ( 8.157 -8.948 1.333) 12.181 5.021 ( 6.974 23.660 0.296) 24.668 5.060 ( 5.526 27.281 0.419) 27.838 6.464 ( -1.503 7.692 0.111) 7.838 6.466 ( -1.274 7.983 -0.316) 8.090 7.398 ( -0.768 9.523 -0.432) 9.564 7.404 ( -0.062 10.067 0.516) 10.080 7.920 ( 8.210 8.162 0.077) 11.577 8.031 ( 0.093 -2.901 0.402) 2.930 8.081 ( -0.536 -0.029 -1.397) 1.497 8.504 ( -15.446 -0.382 -1.034) 15.486 8.979 ( 14.642 -3.899 0.083) 15.152 9.490 ( -6.374 -3.988 0.325) 7.525 9.745 ( 6.829 -3.049 -1.156) 7.567 10.158 ( -9.207 -4.607 0.192) 10.297 15.867 ( 8.006 -1.300 -0.191) 8.113 16.013 ( 7.947 -1.883 -0.241) 8.171 ======================= Grid point 330 (144/256) ======================= q-point: (-0.50 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -5.399 8.166 0.479) 9.801 2.289 ( -0.633 10.293 0.305) 10.317 2.581 ( 0.168 22.437 -0.387) 22.441 2.673 ( 4.814 19.595 -0.826) 20.195 3.975 ( -3.033 -3.855 -0.189) 4.909 3.981 ( 4.068 -3.873 0.882) 5.686 4.110 ( -2.129 -8.519 0.389) 8.789 4.186 ( 1.499 -8.192 0.319) 8.334 5.099 ( 0.273 25.745 0.427) 25.750 5.111 ( -0.227 25.440 0.338) 25.443 6.448 ( -0.077 7.240 0.004) 7.240 6.452 ( 0.016 7.675 -0.234) 7.678 7.382 ( -0.581 9.400 -0.096) 9.419 7.409 ( 0.407 9.694 0.266) 9.706 8.003 ( 0.517 1.724 -0.220) 1.814 8.034 ( -0.878 1.062 0.940) 1.668 8.187 ( 3.180 1.523 -0.908) 3.641 8.228 ( -2.499 -0.404 -1.934) 3.186 9.265 ( 10.434 -3.533 -0.038) 11.016 9.283 ( -10.602 -3.902 0.182) 11.299 9.922 ( 9.427 -3.705 -0.092) 10.130 9.963 ( -9.476 -4.056 -0.323) 10.313 15.950 ( 0.225 -1.304 -0.262) 1.349 16.089 ( -0.308 -1.790 -0.141) 1.822 ======================= Grid point 331 (145/256) ======================= q-point: (-0.40 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -21.636 4.158 2.571) 22.182 2.143 ( -12.114 22.144 1.405) 25.281 2.672 ( 5.904 24.199 -0.813) 24.922 2.761 ( 0.681 12.012 -1.813) 12.167 3.794 ( -14.320 -2.129 -1.031) 14.514 3.949 ( -14.090 -6.735 1.827) 15.723 4.003 ( -2.075 -5.475 0.491) 5.875 4.122 ( -7.656 -9.970 -0.833) 12.598 5.027 ( -6.895 23.731 0.136) 24.713 5.060 ( -5.474 27.199 0.392) 27.747 6.460 ( 1.233 7.726 -0.105) 7.824 6.466 ( 1.442 7.980 0.002) 8.109 7.377 ( 0.047 9.597 0.361) 9.604 7.420 ( 0.608 9.760 -0.105) 9.780 7.926 ( -8.074 8.451 -0.059) 11.688 8.034 ( 0.669 -0.412 0.517) 0.941 8.077 ( -0.346 -3.364 -1.613) 3.747 8.501 ( 15.936 -0.029 -0.835) 15.958 8.983 ( -15.296 -3.745 -0.028) 15.748 9.486 ( 7.622 -3.653 0.336) 8.459 9.766 ( -8.085 -3.319 -1.943) 8.953 10.127 ( 9.615 -4.301 1.343) 10.619 15.872 ( -7.809 -1.369 -0.388) 7.937 16.002 ( -8.305 -1.738 0.122) 8.485 ======================= Grid point 332 (146/256) ======================= q-point: (-0.30 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -23.613 5.636 5.083) 24.803 1.861 ( -16.492 26.176 2.246) 31.019 2.566 ( -18.776 9.735 -1.102) 21.178 2.805 ( 5.460 25.617 -0.509) 26.197 3.410 ( -24.005 -1.033 -2.495) 24.156 3.585 ( -22.849 -4.676 2.868) 23.499 3.854 ( -15.050 -10.371 0.638) 18.288 3.998 ( -0.858 -7.140 -2.776) 7.708 4.849 ( -10.702 21.667 -0.204) 24.167 4.905 ( -9.905 28.789 0.296) 30.446 6.493 ( 2.125 8.859 -0.033) 9.110 6.505 ( 2.312 9.030 0.143) 9.323 7.385 ( 0.512 9.983 0.634) 10.016 7.427 ( -0.010 9.446 -0.334) 9.452 7.791 ( -4.452 13.619 -0.207) 14.330 8.053 ( 1.324 -1.769 -0.218) 2.221 8.099 ( 1.797 -1.317 -0.647) 2.320 8.602 ( -11.711 -4.200 -0.270) 12.444 8.913 ( 14.643 -1.233 0.001) 14.695 9.509 ( -4.432 -3.987 -0.378) 5.973 9.694 ( 0.499 -2.122 -2.874) 3.607 10.295 ( 6.810 -5.236 1.901) 8.798 15.663 ( -12.667 -1.504 -0.246) 12.758 15.782 ( -13.455 -1.758 0.252) 13.572 ======================= Grid point 333 (147/256) ======================= q-point: (-0.20 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -16.563 7.469 8.734) 20.159 1.515 ( -19.553 26.484 3.170) 33.072 2.033 ( -32.811 16.593 0.636) 36.774 2.835 ( -22.323 2.154 -2.367) 22.552 2.930 ( -3.172 22.222 -2.038) 22.540 3.102 ( -25.669 -3.141 3.929) 26.158 3.510 ( -18.579 -12.237 -0.148) 22.247 4.015 ( 2.620 -5.627 -3.926) 7.344 4.627 ( -11.141 19.890 -0.552) 22.804 4.696 ( -10.677 29.975 0.181) 31.820 6.539 ( 2.344 10.349 0.077) 10.612 6.553 ( 2.398 10.496 0.230) 10.769 7.368 ( -3.166 4.802 -0.448) 5.769 7.430 ( 0.851 13.008 1.832) 13.164 7.785 ( 4.714 26.109 -2.641) 26.662 8.085 ( 1.784 -1.990 0.385) 2.700 8.121 ( 0.062 -1.768 -1.307) 2.199 8.368 ( -9.216 -4.345 0.465) 10.199 9.245 ( 16.932 -1.623 -0.106) 17.010 9.420 ( -3.489 -3.472 -0.758) 4.981 9.654 ( -4.934 -1.198 -5.028) 7.146 10.400 ( 3.320 -7.051 2.331) 8.134 15.408 ( -12.260 -1.903 0.363) 12.412 15.507 ( -13.586 -1.848 0.148) 13.712 ======================= Grid point 334 (148/256) ======================= q-point: (-0.10 0.07 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( -5.386 8.969 11.723) 15.712 1.046 ( -28.728 12.441 4.336) 31.604 1.466 ( -19.239 42.312 2.282) 46.536 2.274 ( -25.423 -1.076 -4.271) 25.802 2.647 ( -18.641 -3.513 4.892) 19.590 2.992 ( 2.916 26.490 -0.962) 26.667 3.174 ( -14.009 -13.436 -0.810) 19.427 4.060 ( 2.580 -4.269 -4.572) 6.767 4.433 ( -7.752 18.271 -0.711) 19.860 4.515 ( -7.118 30.744 0.125) 31.557 6.580 ( 1.629 11.580 0.117) 11.694 6.596 ( 1.742 11.624 0.276) 11.758 7.287 ( -4.063 2.787 0.454) 4.948 7.458 ( 0.996 15.937 3.157) 16.278 7.933 ( 9.147 34.391 -10.841) 37.202 8.058 ( -3.574 -3.003 -0.733) 4.725 8.166 ( 6.289 1.034 -0.698) 6.412 8.282 ( -0.302 0.488 -0.803) 0.987 9.361 ( -4.089 -3.572 -1.421) 5.612 9.466 ( -9.347 0.728 -3.992) 10.190 9.546 ( 11.409 -1.446 -0.517) 11.512 10.442 ( 0.637 -10.367 1.951) 10.568 15.217 ( -6.684 -2.974 0.881) 7.368 15.284 ( -8.326 -2.056 0.068) 8.577 ======================= Grid point 335 (149/256) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 1.206 25.548 2.296) 25.679 1.265 ( -1.095 19.463 6.760) 20.633 1.959 ( -0.780 -0.239 -3.963) 4.046 2.295 ( 0.382 44.332 0.141) 44.333 2.401 ( 0.493 0.014 3.332) 3.368 2.832 ( -0.352 -3.610 -0.530) 3.666 3.660 ( 0.182 34.931 0.639) 34.937 4.011 ( -0.175 -1.519 -3.206) 3.552 4.799 ( -0.112 26.640 -0.112) 26.641 5.117 ( -0.135 35.403 -0.161) 35.403 6.861 ( -0.086 12.529 0.312) 12.534 6.895 ( 0.162 15.789 0.076) 15.790 7.316 ( -0.279 4.264 1.006) 4.390 7.833 ( 1.075 13.505 4.912) 14.410 7.885 ( -0.863 -6.579 -0.708) 6.673 8.060 ( 0.260 -4.325 -0.834) 4.413 8.207 ( 0.022 0.042 3.119) 3.119 8.839 ( -0.477 12.120 -14.912) 19.223 9.169 ( 1.396 -4.060 0.324) 4.305 9.439 ( -0.497 8.036 -4.995) 9.475 9.649 ( 0.274 -1.943 -0.155) 1.969 10.152 ( -0.424 -15.457 1.009) 15.496 15.076 ( 0.080 -3.930 0.713) 3.995 15.143 ( 0.067 -3.329 -0.324) 3.346 ======================= Grid point 336 (150/256) ======================= q-point: ( 0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 1.930 20.174 5.903) 21.108 1.378 ( 27.953 18.355 1.048) 33.457 2.209 ( 23.751 -0.679 -2.002) 23.845 2.391 ( 9.032 44.838 -0.628) 45.743 2.615 ( 19.074 -3.348 2.264) 19.498 2.983 ( 14.435 -3.258 0.125) 14.798 3.638 ( -2.439 35.527 0.519) 35.614 3.963 ( -3.448 -1.514 -2.742) 4.659 4.886 ( 8.490 26.932 -0.097) 28.239 5.179 ( 6.165 34.915 0.008) 35.455 6.839 ( -2.240 12.417 0.382) 12.623 6.868 ( -2.712 14.890 -0.011) 15.135 7.360 ( 4.129 4.904 0.603) 6.439 7.812 ( -3.173 12.578 4.125) 13.612 7.965 ( 7.394 -4.784 -0.767) 8.840 8.056 ( -0.021 -5.032 -0.972) 5.125 8.197 ( -1.627 -0.131 3.066) 3.474 8.552 ( -17.211 16.406 -8.727) 25.329 9.297 ( 4.785 -5.193 -1.315) 7.183 9.477 ( -0.462 2.481 -2.687) 3.686 9.518 ( -5.651 -0.201 -2.404) 6.144 10.194 ( 2.825 -12.939 1.200) 13.298 15.156 ( 7.678 -3.573 0.427) 8.480 15.232 ( 8.738 -3.348 -0.287) 9.362 ======================= Grid point 337 (151/256) ======================= q-point: ( 0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 14.175 18.443 3.491) 23.521 1.947 ( 26.642 15.962 0.935) 31.072 2.630 ( 14.841 36.445 -1.070) 39.365 2.757 ( 29.292 -1.470 -0.665) 29.337 3.076 ( 25.313 -2.832 1.000) 25.490 3.327 ( 18.464 -2.249 1.079) 18.632 3.579 ( -3.036 35.576 -0.089) 35.705 3.887 ( -3.038 -1.833 -1.868) 4.010 5.102 ( 12.605 27.617 -0.032) 30.357 5.340 ( 9.473 33.869 0.195) 35.170 6.781 ( -3.494 12.082 0.406) 12.584 6.799 ( -4.031 13.171 -0.103) 13.775 7.461 ( 5.566 6.180 -0.113) 8.318 7.747 ( -4.023 11.829 2.426) 12.728 8.005 ( -2.296 -4.284 -0.311) 4.871 8.141 ( 0.766 3.322 0.508) 3.446 8.210 ( 5.842 -0.944 0.827) 5.975 8.260 ( -6.373 9.532 -4.315) 12.251 9.204 ( -16.186 -2.186 -0.151) 16.334 9.350 ( 2.213 -4.059 -0.887) 4.708 9.609 ( 4.470 -0.399 -3.194) 5.508 10.223 ( -0.639 -10.142 1.169) 10.229 15.362 ( 12.576 -2.839 0.083) 12.893 15.462 ( 13.930 -3.322 -0.220) 14.322 ======================= Grid point 338 (152/256) ======================= q-point: ( 0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 20.974 14.867 1.258) 25.739 2.378 ( 16.628 19.962 1.025) 26.000 2.896 ( 10.495 25.828 -0.885) 27.893 3.256 ( 16.567 3.110 -0.007) 16.856 3.507 ( 6.895 24.129 -0.625) 25.103 3.559 ( 18.122 2.626 1.599) 18.381 3.703 ( 15.374 -0.133 0.219) 15.376 3.866 ( 2.013 -1.915 -1.154) 3.008 5.353 ( 12.239 28.458 0.153) 30.979 5.525 ( 8.633 32.653 0.296) 33.776 6.712 ( -3.407 11.307 0.298) 11.813 6.718 ( -3.914 11.547 -0.123) 12.193 7.558 ( 3.933 8.123 -0.302) 9.031 7.677 ( -3.239 11.312 0.828) 11.796 7.950 ( -2.309 -3.631 -0.323) 4.315 8.103 ( -3.220 2.401 -1.026) 4.146 8.128 ( -1.258 11.286 0.521) 11.368 8.487 ( 13.333 -7.005 -0.869) 15.086 8.898 ( -13.267 0.704 -0.053) 13.286 9.403 ( 2.995 -4.722 -0.153) 5.593 9.641 ( -0.147 -2.516 -1.863) 3.134 10.169 ( -5.004 -8.404 0.742) 9.809 15.620 ( 12.776 -2.319 -0.109) 12.985 15.742 ( 13.550 -3.327 -0.195) 13.954 ======================= Grid point 339 (153/256) ======================= q-point: ( 0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 19.882 12.435 -0.115) 23.451 2.586 ( 2.934 18.057 0.880) 18.315 3.021 ( 4.245 24.434 0.084) 24.801 3.297 ( -4.752 28.384 -0.052) 28.779 3.760 ( 13.497 4.359 -0.159) 14.184 3.874 ( 10.033 0.538 0.711) 10.073 3.935 ( 6.749 -1.428 -0.806) 6.945 3.969 ( 8.199 -3.471 0.287) 8.908 5.561 ( 8.405 29.305 0.331) 30.488 5.656 ( 4.105 31.416 0.303) 31.684 6.652 ( -2.528 10.429 0.078) 10.731 6.658 ( -1.983 10.371 0.011) 10.559 7.603 ( 0.667 10.198 -0.171) 10.221 7.631 ( -1.413 10.836 0.475) 10.938 7.936 ( 0.880 -5.640 -0.348) 5.719 8.049 ( -2.197 -1.000 -0.932) 2.588 8.153 ( 3.945 9.832 0.123) 10.595 8.504 ( -11.119 -0.083 -0.634) 11.137 8.905 ( 13.534 -1.678 -0.048) 13.638 9.398 ( -5.687 -4.384 0.244) 7.185 9.667 ( 5.317 -4.372 -0.910) 6.943 10.036 ( -8.356 -7.309 0.087) 11.102 15.832 ( 8.058 -2.147 -0.170) 8.341 15.960 ( 8.055 -3.249 -0.191) 8.688 ======================= Grid point 340 (154/256) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -12.384 13.385 0.777) 18.252 2.526 ( 10.511 13.309 0.036) 16.959 3.124 ( 4.598 28.732 -0.318) 29.099 3.197 ( -3.233 28.919 0.301) 29.101 3.927 ( 3.303 0.805 0.010) 3.399 3.941 ( -2.150 2.918 -0.561) 3.668 3.999 ( -1.576 -2.440 0.198) 2.912 4.069 ( 0.763 -3.614 0.273) 3.704 5.670 ( 1.828 30.362 0.449) 30.420 5.676 ( -1.824 30.130 0.216) 30.186 6.624 ( -0.258 9.683 0.153) 9.688 6.640 ( 0.198 10.347 -0.076) 10.349 7.596 ( -0.550 10.756 -0.084) 10.770 7.625 ( 0.213 10.641 0.604) 10.660 7.967 ( 2.015 -4.973 0.300) 5.374 8.008 ( -1.715 -4.350 -1.534) 4.921 8.279 ( -7.730 5.783 -0.438) 9.663 8.290 ( 7.530 6.893 -0.297) 10.213 9.189 ( 13.209 -3.147 0.165) 13.580 9.197 ( -13.016 -3.348 -0.231) 13.442 9.824 ( 8.733 -5.824 -0.110) 10.497 9.855 ( -8.772 -6.405 -0.292) 10.866 15.915 ( 0.141 -2.205 -0.222) 2.221 16.040 ( -0.183 -3.086 -0.118) 3.094 ======================= Grid point 341 (155/256) ======================= q-point: (-0.40 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( -20.246 13.966 1.911) 24.670 2.589 ( -5.187 19.676 0.860) 20.366 3.091 ( -3.607 24.053 -2.507) 24.451 3.269 ( 4.850 27.465 1.252) 27.918 3.796 ( -12.130 5.102 -1.824) 13.285 3.858 ( -12.665 -1.353 1.363) 12.810 3.913 ( -3.672 -1.607 0.427) 4.032 3.988 ( -8.640 -3.338 -0.520) 9.277 5.567 ( -8.439 29.162 0.154) 30.359 5.655 ( -3.974 31.438 0.357) 31.691 6.643 ( 2.085 9.789 0.256) 10.012 6.665 ( 2.279 11.120 -0.109) 11.352 7.593 ( 0.114 10.599 0.195) 10.601 7.633 ( 0.366 10.549 0.400) 10.563 7.968 ( -1.800 -6.067 -1.995) 6.635 8.011 ( 2.014 -2.280 0.920) 3.178 8.149 ( -2.890 10.606 0.179) 10.995 8.507 ( 11.074 0.100 -0.652) 11.093 8.912 ( -13.690 -1.698 -0.256) 13.797 9.403 ( 6.842 -3.836 0.019) 7.844 9.682 ( -6.274 -4.689 -1.474) 7.970 10.013 ( 8.773 -6.839 0.916) 11.161 15.835 ( -7.924 -2.315 -0.285) 8.260 15.954 ( -8.262 -2.975 0.028) 8.782 ======================= Grid point 342 (156/256) ======================= q-point: (-0.30 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( -20.720 16.816 3.047) 26.858 2.359 ( -17.645 20.548 1.625) 27.133 2.938 ( -12.423 27.290 -2.062) 30.055 3.264 ( -11.506 7.403 -0.348) 13.686 3.492 ( -19.398 3.162 1.199) 19.691 3.563 ( -10.000 19.422 -0.247) 21.847 3.721 ( -15.995 -1.523 0.118) 16.068 3.878 ( -0.147 -3.453 -1.528) 3.779 5.359 ( -12.220 28.205 -0.042) 30.738 5.528 ( -8.462 32.719 0.199) 33.796 6.703 ( 3.722 10.953 0.388) 11.574 6.723 ( 3.431 12.001 -0.082) 12.482 7.574 ( -2.969 8.368 -1.078) 8.944 7.651 ( 1.772 11.051 1.908) 11.354 7.958 ( 1.851 -3.345 -0.842) 3.914 8.047 ( 1.712 1.707 1.260) 2.726 8.160 ( 3.394 10.346 -0.798) 10.918 8.489 ( -12.920 -6.436 -0.779) 14.455 8.901 ( 13.176 0.720 -0.140) 13.196 9.414 ( -3.823 -4.888 -0.597) 6.234 9.649 ( 1.555 -1.934 -2.251) 3.350 10.158 ( 5.429 -8.061 1.177) 9.789 15.622 ( -12.915 -2.469 -0.181) 13.150 15.733 ( -13.477 -2.967 0.070) 13.799 ======================= Grid point 343 (157/256) ======================= q-point: (-0.20 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -13.604 20.047 4.542) 24.649 1.914 ( -27.693 16.195 1.974) 32.142 2.638 ( -15.472 38.272 -1.067) 41.295 2.811 ( -28.449 -1.621 -3.173) 28.672 3.028 ( -25.697 -2.676 3.282) 26.044 3.347 ( -19.042 -2.614 0.467) 19.226 3.568 ( 2.801 34.616 -0.223) 34.730 3.916 ( 3.703 -2.819 -2.447) 5.259 5.108 ( -12.598 27.274 -0.237) 30.044 5.346 ( -9.427 33.992 -0.014) 35.275 6.782 ( 3.868 12.376 0.519) 12.977 6.792 ( 3.545 12.932 -0.034) 13.409 7.477 ( -5.847 5.866 -0.851) 8.326 7.710 ( 3.140 11.563 3.643) 12.524 8.013 ( 2.568 -4.702 -0.827) 5.421 8.098 ( 2.164 3.804 1.963) 4.797 8.183 ( -7.855 -0.491 -0.991) 7.932 8.326 ( 7.441 8.272 -3.267) 11.596 9.204 ( 16.067 -2.234 -0.126) 16.222 9.339 ( -3.090 -4.166 -0.676) 5.231 9.640 ( -2.484 0.265 -4.505) 5.151 10.224 ( 0.805 -9.964 1.291) 10.079 15.360 ( -12.852 -2.820 0.194) 13.159 15.457 ( -13.696 -3.028 -0.065) 14.027 ======================= Grid point 344 (158/256) ======================= q-point: (-0.10 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -3.082 20.943 5.802) 21.950 1.342 ( -26.958 18.914 2.488) 33.025 2.252 ( -24.523 -0.976 -3.943) 24.857 2.387 ( -9.239 44.776 -0.551) 45.723 2.579 ( -18.529 -2.016 4.014) 19.066 2.996 ( -14.843 -3.389 -0.242) 15.227 3.629 ( 2.647 34.772 0.441) 34.875 3.984 ( 3.296 -1.877 -3.062) 4.875 4.891 ( -8.618 26.653 -0.246) 28.012 5.184 ( -6.326 35.022 -0.171) 35.589 6.841 ( 2.014 12.433 0.312) 12.598 6.861 ( 2.993 14.933 0.202) 15.232 7.367 ( -4.695 4.638 0.315) 6.607 7.780 ( 2.675 11.138 4.764) 12.406 7.973 ( -7.293 -3.014 -0.829) 7.935 8.048 ( 0.944 -3.884 -0.721) 4.062 8.179 ( 2.042 -0.962 2.787) 3.586 8.601 ( 18.509 13.727 -8.952) 24.721 9.273 ( -4.631 -4.838 -0.566) 6.721 9.495 ( 11.021 -1.916 -0.298) 11.190 9.533 ( -4.357 4.668 -6.545) 9.143 10.200 ( -3.093 -12.912 1.166) 13.329 15.151 ( -7.753 -3.448 0.626) 8.509 15.230 ( -8.529 -3.179 -0.242) 9.105 ======================= Grid point 345 (159/256) ======================= q-point: ( 0.00 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.939 27.543 1.750) 27.614 1.693 ( -0.892 22.346 2.158) 22.468 1.959 ( -0.555 0.494 -4.108) 4.175 2.331 ( 0.852 -2.154 2.986) 3.779 2.883 ( -0.157 8.404 0.269) 8.410 3.096 ( -0.417 27.670 -3.523) 27.896 4.074 ( 0.055 13.631 0.294) 13.635 4.362 ( 0.119 32.017 1.270) 32.043 5.358 ( 0.022 28.904 0.141) 28.904 5.799 ( -0.167 32.552 -0.386) 32.554 7.069 ( -0.037 7.515 -0.265) 7.520 7.161 ( 0.021 9.698 0.066) 9.698 7.391 ( -0.028 2.752 0.926) 2.903 7.686 ( 0.746 -11.065 -0.688) 11.111 7.968 ( -0.472 -2.874 -0.511) 2.957 7.979 ( 0.127 0.499 0.760) 0.918 8.346 ( -0.277 11.851 5.731) 13.167 8.855 ( -0.001 -5.227 -4.177) 6.692 9.090 ( 0.639 -3.423 0.169) 3.486 9.600 ( 0.386 -2.920 -0.145) 2.949 9.626 ( -0.342 7.642 -5.588) 9.473 9.866 ( -0.378 -12.653 0.180) 12.660 15.003 ( 0.051 -3.329 0.542) 3.373 15.074 ( 0.011 -3.528 -0.568) 3.573 ======================= Grid point 346 (160/256) ======================= q-point: ( 0.10 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 3.341 23.737 1.869) 24.044 1.809 ( 21.049 24.103 1.086) 32.019 2.195 ( 22.642 -0.667 -2.505) 22.790 2.554 ( 19.678 -2.310 1.707) 19.886 3.031 ( 13.819 7.765 0.509) 15.859 3.131 ( 4.493 24.844 -2.920) 25.415 4.048 ( -2.306 15.023 0.285) 15.202 4.344 ( -2.071 32.809 0.929) 32.888 5.449 ( 8.642 28.913 0.086) 30.177 5.852 ( 5.397 32.149 -0.176) 32.600 7.045 ( -2.203 7.623 0.048) 7.935 7.117 ( -3.963 9.063 -0.094) 9.892 7.446 ( 4.969 3.165 0.289) 5.899 7.760 ( 5.863 -10.349 -0.384) 11.901 7.953 ( -0.821 -2.339 -0.260) 2.492 7.980 ( 0.177 -0.499 0.455) 0.698 8.329 ( -2.525 11.105 4.801) 12.359 8.671 ( -12.784 -1.231 -3.046) 13.200 9.197 ( 5.879 -4.503 -0.649) 7.434 9.437 ( -12.670 -3.209 -0.220) 13.072 9.624 ( 1.117 6.177 -4.254) 7.583 9.955 ( 5.581 -10.565 0.425) 11.956 15.088 ( 8.176 -3.150 0.380) 8.770 15.162 ( 8.699 -3.637 -0.477) 9.440 ======================= Grid point 347 (161/256) ======================= q-point: ( 0.20 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 11.711 23.634 1.301) 26.408 2.292 ( 25.466 19.279 0.567) 31.946 2.723 ( 28.882 -1.572 -1.187) 28.949 3.030 ( 26.319 -1.685 0.734) 26.383 3.231 ( 5.552 17.841 -2.064) 18.798 3.366 ( 18.379 6.162 0.804) 19.402 4.012 ( -0.519 19.132 0.122) 19.140 4.294 ( -3.008 33.991 0.428) 34.127 5.669 ( 12.857 28.709 0.053) 31.456 5.994 ( 8.401 31.275 0.049) 32.383 6.988 ( -3.665 7.987 0.640) 8.811 7.023 ( -5.090 8.615 -0.591) 10.024 7.565 ( 6.543 3.498 -0.551) 7.440 7.835 ( 0.339 -2.442 0.699) 2.563 7.934 ( -1.229 -1.945 -0.237) 2.313 8.031 ( 4.693 -8.138 0.473) 9.406 8.297 ( -0.063 9.184 2.097) 9.421 8.425 ( -10.524 1.552 -1.797) 10.789 9.178 ( -12.740 0.264 -0.108) 12.743 9.277 ( 2.853 -3.220 -0.729) 4.363 9.638 ( 0.643 2.930 -2.320) 3.792 10.026 ( 1.103 -9.271 0.507) 9.350 15.306 ( 13.107 -2.752 0.130) 13.394 15.391 ( 13.859 -3.786 -0.308) 14.370 ======================= Grid point 348 (162/256) ======================= q-point: ( 0.30 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( 17.246 20.298 0.588) 26.642 2.738 ( 17.850 18.043 0.668) 25.390 3.242 ( 22.363 -1.379 -0.397) 22.409 3.310 ( 3.130 9.787 -1.132) 10.338 3.523 ( 22.343 -0.835 0.117) 22.359 3.709 ( 15.118 5.318 1.311) 16.080 4.051 ( 4.431 23.576 -0.427) 23.992 4.240 ( -2.104 34.711 -0.211) 34.776 5.925 ( 12.458 28.292 0.082) 30.914 6.157 ( 7.503 30.231 0.144) 31.148 6.908 ( -4.273 7.862 0.612) 8.969 6.927 ( -4.269 8.995 -0.433) 9.966 7.680 ( 5.008 2.826 -0.978) 5.833 7.814 ( -1.618 2.824 0.411) 3.280 7.902 ( -2.044 0.971 0.104) 2.266 8.052 ( -3.161 -7.259 0.850) 7.963 8.275 ( -3.417 0.549 -0.137) 3.463 8.395 ( 7.446 -1.470 -0.695) 7.621 8.973 ( -6.668 7.268 0.071) 9.863 9.329 ( 2.819 -2.698 -0.418) 3.924 9.621 ( -2.023 0.894 -1.128) 2.483 9.999 ( -3.835 -8.334 0.347) 9.181 15.572 ( 13.034 -2.451 -0.051) 13.263 15.669 ( 13.544 -3.880 -0.175) 14.090 ======================= Grid point 349 (163/256) ======================= q-point: ( 0.40 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 17.407 16.434 0.061) 23.939 2.916 ( -0.992 15.772 0.825) 15.825 3.402 ( 7.466 10.256 0.084) 12.686 3.551 ( 8.233 1.943 -0.200) 8.461 3.870 ( 12.121 0.550 -0.568) 12.147 3.941 ( 7.973 4.586 2.072) 9.428 4.155 ( 5.257 24.341 -0.949) 24.921 4.223 ( 0.484 31.550 -0.843) 31.565 6.138 ( 8.811 27.808 0.102) 29.170 6.264 ( 2.865 28.925 0.104) 29.066 6.842 ( -2.195 8.188 -0.159) 8.478 6.855 ( -2.985 9.281 0.538) 9.764 7.755 ( 2.838 1.715 -0.712) 3.391 7.791 ( -0.574 5.176 0.426) 5.225 7.858 ( -2.116 1.600 0.033) 2.653 7.967 ( -4.484 -6.632 -0.455) 8.019 8.277 ( 2.824 0.539 0.279) 2.889 8.454 ( -2.514 -4.896 -0.435) 5.521 8.987 ( 8.163 9.557 -0.076) 12.569 9.351 ( -2.882 -0.287 -0.008) 2.896 9.594 ( 1.861 -2.209 -0.567) 2.943 9.886 ( -7.409 -7.473 0.002) 10.523 15.786 ( 8.038 -2.393 -0.138) 8.387 15.889 ( 8.190 -3.817 -0.102) 9.036 ======================= Grid point 350 (164/256) ======================= q-point: (-0.50 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.764 ( -12.581 14.873 0.913) 19.502 2.805 ( 12.119 14.125 -0.026) 18.612 3.543 ( 3.789 11.360 -0.608) 11.991 3.582 ( -2.667 7.543 0.692) 8.030 3.970 ( -1.469 2.739 0.233) 3.117 4.041 ( 1.009 2.008 1.240) 2.567 4.215 ( -0.244 25.020 -1.097) 25.045 4.228 ( 0.081 26.571 -0.891) 26.586 6.259 ( -1.393 27.570 0.103) 27.605 6.260 ( 1.383 27.997 0.054) 28.031 6.809 ( -0.965 8.838 0.360) 8.898 6.837 ( 1.002 9.352 0.091) 9.406 7.773 ( -0.604 6.088 -0.076) 6.118 7.799 ( 0.585 6.626 0.564) 6.676 7.852 ( 2.219 -5.556 0.223) 5.987 7.891 ( -2.674 -6.071 -1.419) 6.784 8.348 ( -1.489 -0.408 -0.134) 1.549 8.374 ( 1.419 -0.308 0.165) 1.461 9.190 ( -1.461 4.107 0.022) 4.360 9.209 ( 1.871 4.760 -0.420) 5.132 9.707 ( 7.524 -5.542 -0.078) 9.345 9.726 ( -7.536 -6.190 -0.241) 9.755 15.867 ( 0.008 -2.500 -0.158) 2.505 15.972 ( -0.011 -3.640 -0.072) 3.641 ======================= Grid point 351 (165/256) ======================= q-point: (-0.40 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.464 ( -17.234 17.549 1.277) 24.629 2.934 ( -1.168 16.027 0.353) 16.073 3.452 ( -5.759 7.144 -1.995) 9.391 3.557 ( -6.275 4.141 -0.006) 7.518 3.830 ( -12.873 1.595 1.350) 13.041 3.970 ( -8.201 3.398 0.622) 8.899 4.144 ( -5.597 25.438 -0.580) 26.053 4.215 ( -0.910 30.185 -0.624) 30.205 6.137 ( -8.867 27.342 0.105) 28.744 6.266 ( -2.723 29.243 0.070) 29.369 6.821 ( 2.129 7.891 0.566) 8.193 6.879 ( 3.001 9.971 -0.284) 10.417 7.752 ( -1.442 3.627 -0.305) 3.915 7.806 ( -0.834 5.545 -0.306) 5.616 7.860 ( 1.152 -1.525 -0.383) 1.949 7.929 ( 4.280 -5.786 1.032) 7.271 8.273 ( -2.450 0.524 0.359) 2.531 8.458 ( 2.520 -5.000 -0.511) 5.622 8.988 ( -8.084 9.167 -0.116) 12.223 9.364 ( 3.382 -0.190 -0.454) 3.418 9.605 ( -2.035 -2.347 -0.933) 3.243 9.872 ( 7.745 -6.979 0.463) 10.436 15.785 ( -8.057 -2.619 -0.116) 8.473 15.888 ( -8.171 -3.498 -0.085) 8.888 ======================= Grid point 352 (166/256) ======================= q-point: (-0.30 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( -16.867 21.332 1.497) 27.236 2.722 ( -19.170 17.923 1.134) 26.268 3.281 ( -20.814 -0.789 -2.156) 20.941 3.364 ( -4.898 5.842 -2.859) 8.142 3.487 ( -20.989 2.958 2.064) 21.297 3.735 ( -15.360 4.641 0.251) 16.047 4.034 ( -4.318 24.108 0.114) 24.492 4.222 ( 1.765 33.626 0.432) 33.675 5.923 ( -12.511 27.820 0.116) 30.504 6.163 ( -7.278 30.472 -0.044) 31.329 6.892 ( 4.629 7.703 0.673) 9.012 6.946 ( 3.753 9.686 -0.546) 10.402 7.692 ( -4.714 2.125 -1.657) 5.430 7.793 ( -0.008 3.095 1.362) 3.381 7.904 ( 2.345 0.777 -0.036) 2.471 8.012 ( 3.296 -5.705 1.968) 6.876 8.285 ( 4.150 -0.006 -0.207) 4.155 8.398 ( -7.547 -1.953 -0.767) 7.834 8.973 ( 6.561 6.976 0.062) 9.577 9.335 ( -3.527 -2.973 -0.641) 4.657 9.639 ( 3.221 1.146 -1.732) 3.832 9.995 ( 4.193 -8.067 0.513) 9.106 15.569 ( -13.123 -2.732 0.017) 13.405 15.669 ( -13.443 -3.437 -0.174) 13.876 ======================= Grid point 353 (167/256) ======================= q-point: (-0.20 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( -11.146 24.224 1.743) 26.722 2.261 ( -26.247 19.143 1.418) 32.517 2.776 ( -28.206 -1.485 -3.328) 28.441 2.982 ( -26.241 -1.616 2.426) 26.402 3.264 ( -8.271 16.907 -1.902) 18.918 3.401 ( -16.916 8.279 -1.135) 18.867 4.002 ( 0.892 18.508 0.368) 18.533 4.275 ( 3.061 32.981 1.169) 33.143 5.667 ( -12.879 28.267 0.104) 31.063 6.003 ( -8.329 31.460 -0.252) 32.545 6.987 ( 4.261 7.887 0.585) 8.983 7.023 ( 4.432 9.217 -0.513) 10.240 7.571 ( -6.745 2.765 -0.936) 7.350 7.792 ( -1.396 -2.753 2.234) 3.811 7.939 ( 1.361 -1.697 -0.420) 2.215 8.031 ( -2.339 -6.837 0.492) 7.243 8.285 ( -1.544 10.320 1.982) 10.622 8.436 ( 10.957 -0.303 -1.636) 11.083 9.176 ( 12.605 0.046 -0.026) 12.605 9.268 ( -3.283 -2.930 -0.459) 4.424 9.672 ( 0.612 2.512 -3.430) 4.295 10.029 ( -0.925 -9.218 0.433) 9.275 15.302 ( -13.219 -2.920 0.244) 13.540 15.392 ( -13.717 -3.422 -0.338) 14.141 ======================= Grid point 354 (168/256) ======================= q-point: (-0.10 0.21 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -3.579 24.058 1.730) 24.384 1.779 ( -20.186 23.870 1.930) 31.320 2.235 ( -23.346 -0.630 -4.058) 23.705 2.517 ( -19.248 -1.863 3.079) 19.582 3.029 ( -13.099 8.598 0.663) 15.683 3.169 ( -6.138 24.732 -4.013) 25.797 4.044 ( 2.453 14.622 0.314) 14.829 4.334 ( 2.289 32.065 1.391) 32.176 5.448 ( -8.621 28.627 0.127) 29.897 5.860 ( -5.592 32.252 -0.412) 32.735 7.048 ( 2.070 7.708 -0.123) 7.982 7.114 ( 4.183 9.366 0.092) 10.258 7.446 ( -5.229 2.710 0.228) 5.894 7.731 ( -4.293 -9.577 0.723) 10.520 7.961 ( 1.059 -2.206 -0.506) 2.499 7.986 ( -1.219 -1.233 0.057) 1.735 8.314 ( 1.821 12.239 4.971) 13.335 8.680 ( 13.406 -2.530 -3.051) 13.980 9.184 ( -5.568 -3.867 -0.172) 6.781 9.433 ( 12.621 -3.348 -0.065) 13.058 9.655 ( -0.860 5.427 -5.338) 7.661 9.962 ( -5.668 -10.615 0.276) 12.036 15.085 ( -8.180 -3.178 0.473) 8.788 15.163 ( -8.612 -3.456 -0.504) 9.293 ======================= Grid point 355 (169/256) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.072 2.156 -0.284) 2.176 2.038 ( -0.117 10.371 -1.279) 10.451 2.162 ( 0.360 20.810 -0.391) 20.816 2.380 ( 0.270 12.798 1.014) 12.841 3.123 ( -0.124 14.491 0.524) 14.501 3.361 ( -0.452 3.148 -2.751) 4.205 4.529 ( -0.084 27.152 0.049) 27.152 4.910 ( 0.204 22.037 2.582) 22.189 5.916 ( 0.154 26.680 0.327) 26.683 6.381 ( -0.176 25.431 -0.605) 25.439 7.153 ( 0.000 2.002 -1.208) 2.338 7.275 ( -0.230 3.110 0.258) 3.129 7.407 ( 0.340 -1.519 0.768) 1.736 7.455 ( 0.366 -11.551 -0.422) 11.564 7.958 ( -0.307 2.449 0.089) 2.470 7.993 ( 0.134 0.981 -0.097) 0.995 8.556 ( -0.601 7.980 3.245) 8.635 8.728 ( 0.510 -6.635 -1.435) 6.808 9.049 ( 0.067 -0.422 0.029) 0.429 9.533 ( 0.422 -3.853 -0.128) 3.878 9.671 ( -0.411 -6.687 0.053) 6.700 9.710 ( -0.109 1.026 -2.576) 2.775 14.944 ( 0.062 -2.590 0.585) 2.656 15.006 ( -0.051 -3.223 -0.704) 3.300 ======================= Grid point 356 (170/256) ======================= q-point: ( 0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 12.456 10.445 -0.229) 16.258 2.165 ( 17.401 10.777 -0.412) 20.472 2.285 ( 15.266 14.765 -1.096) 21.267 2.572 ( 18.126 8.684 0.625) 20.109 3.250 ( 11.920 13.180 0.562) 17.779 3.362 ( 1.005 2.875 -1.922) 3.601 4.525 ( 0.030 27.512 0.006) 27.512 4.905 ( -1.250 22.506 1.991) 22.628 6.003 ( 8.163 26.285 0.175) 27.524 6.427 ( 4.790 25.121 -0.393) 25.577 7.136 ( -1.448 2.444 -0.784) 2.947 7.226 ( -3.879 3.173 -0.004) 5.011 7.467 ( 5.270 -1.181 0.196) 5.404 7.531 ( 6.319 -11.851 -0.108) 13.431 7.946 ( -0.824 2.146 0.208) 2.308 7.989 ( -0.439 1.237 -0.141) 1.320 8.506 ( -5.305 4.888 2.515) 7.639 8.608 ( -9.322 -3.152 -0.975) 9.889 9.133 ( 5.823 -1.657 -0.176) 6.057 9.390 ( -9.380 -1.200 -0.036) 9.457 9.700 ( -0.191 1.354 -2.034) 2.451 9.782 ( 6.261 -7.013 0.088) 9.401 15.032 ( 8.418 -2.487 0.481) 8.791 15.092 ( 8.554 -3.334 -0.596) 9.200 ======================= Grid point 357 (171/256) ======================= q-point: ( 0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 9.926 19.971 -0.503) 22.307 2.672 ( 24.919 13.767 2.024) 28.541 2.713 ( 27.538 3.922 -2.716) 27.949 3.019 ( 24.362 2.412 -0.153) 24.482 3.381 ( 2.142 2.459 -0.579) 3.312 3.551 ( 16.789 11.523 0.667) 20.374 4.546 ( 2.336 28.416 -0.236) 28.512 4.878 ( -1.690 23.672 1.194) 23.763 6.208 ( 11.814 24.827 -0.015) 27.494 6.552 ( 7.408 24.228 -0.185) 25.335 7.097 ( -2.327 4.034 0.187) 4.661 7.140 ( -4.546 4.298 -0.652) 6.290 7.595 ( 6.926 -0.173 -0.229) 6.931 7.664 ( 6.335 -12.185 0.227) 13.736 7.934 ( -0.215 1.472 0.241) 1.507 7.977 ( -0.667 1.035 -0.017) 1.231 8.359 ( -9.326 -2.676 -0.007) 9.702 8.444 ( -6.191 1.703 0.568) 6.446 9.226 ( 1.543 -0.264 -0.157) 1.573 9.230 ( -4.326 3.216 0.125) 5.392 9.690 ( -0.558 1.579 -1.272) 2.103 9.864 ( 1.739 -7.056 0.124) 7.268 15.255 ( 13.386 -2.280 0.262) 13.581 15.317 ( 13.699 -3.509 -0.368) 14.146 ======================= Grid point 358 (172/256) ======================= q-point: ( 0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 13.316 17.064 -0.336) 21.647 3.107 ( 16.949 18.504 0.686) 25.103 3.234 ( 23.210 1.446 -0.242) 23.256 3.313 ( 5.204 -5.192 -1.949) 7.605 3.586 ( 19.767 6.774 1.018) 20.920 3.869 ( 14.272 10.227 0.770) 17.575 4.616 ( 4.585 28.165 -0.461) 28.539 4.850 ( -1.265 25.292 0.433) 25.327 6.436 ( 10.704 22.068 -0.232) 24.528 6.689 ( 5.738 22.130 -0.185) 22.862 7.040 ( -3.246 7.121 0.746) 7.861 7.067 ( -2.275 5.992 -0.535) 6.432 7.700 ( 3.152 0.802 -0.312) 3.267 7.757 ( 2.812 -10.113 0.186) 10.498 7.923 ( -2.062 -0.124 -0.119) 2.069 7.983 ( 1.637 3.381 0.361) 3.774 8.191 ( -6.133 -6.517 -0.037) 8.949 8.376 ( -1.078 -1.285 -0.123) 1.681 9.154 ( -0.924 9.497 0.280) 9.546 9.287 ( 2.994 -1.535 -0.197) 3.370 9.661 ( -2.377 2.294 -0.689) 3.374 9.849 ( -3.105 -6.619 0.086) 7.312 15.526 ( 13.147 -2.131 0.035) 13.318 15.593 ( 13.499 -3.628 -0.129) 13.978 ======================= Grid point 359 (173/256) ======================= q-point: ( 0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 13.388 12.801 -0.224) 18.524 3.176 ( -5.222 8.347 0.500) 9.859 3.529 ( 13.097 6.793 -0.620) 14.767 3.585 ( 11.388 3.092 -0.216) 11.802 3.936 ( 13.644 6.409 0.333) 15.078 4.082 ( 6.601 9.372 0.971) 11.505 4.706 ( 4.176 26.865 -0.535) 27.193 4.830 ( -0.971 26.589 -0.085) 26.607 6.609 ( 6.754 17.789 -0.449) 19.033 6.744 ( -0.214 16.869 -0.480) 16.877 7.013 ( 0.427 11.589 0.301) 11.601 7.036 ( -0.945 10.552 0.811) 10.626 7.728 ( 0.457 -0.631 -0.280) 0.828 7.779 ( -0.474 -9.221 0.131) 9.235 7.877 ( -1.323 1.684 -0.426) 2.184 7.961 ( -3.796 4.799 0.050) 6.119 8.191 ( 4.851 -7.008 0.425) 8.534 8.361 ( -1.490 -3.468 -0.272) 3.784 9.200 ( 5.170 9.896 0.024) 11.165 9.347 ( 2.324 -0.892 -0.072) 2.491 9.601 ( -2.653 2.456 -0.364) 3.634 9.753 ( -6.296 -5.684 -0.034) 8.482 15.740 ( 7.968 -2.130 -0.094) 8.248 15.814 ( 8.296 -3.606 0.009) 9.046 ======================= Grid point 360 (174/256) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( -9.540 9.542 0.735) 13.513 3.045 ( 9.595 9.006 -0.432) 13.167 3.671 ( -2.352 5.248 -0.282) 5.758 3.695 ( 2.780 6.615 -0.356) 7.185 4.081 ( -0.736 8.349 -0.085) 8.382 4.140 ( 0.533 7.724 1.297) 7.850 4.760 ( 0.986 25.964 -0.853) 25.996 4.806 ( -1.271 27.204 0.177) 27.234 6.696 ( -1.236 14.038 -0.143) 14.093 6.711 ( 1.215 15.142 -0.931) 15.219 7.013 ( -0.913 13.681 0.725) 13.731 7.046 ( 1.209 13.746 0.581) 13.812 7.732 ( -0.024 -5.039 -0.147) 5.041 7.759 ( -0.503 -4.847 -0.271) 4.880 7.885 ( 0.822 1.950 -0.018) 2.117 7.899 ( -0.895 3.200 0.063) 3.323 8.286 ( 0.444 -3.885 0.265) 3.919 8.307 ( -0.462 -4.111 -0.087) 4.138 9.306 ( -1.464 5.450 0.041) 5.644 9.332 ( 1.729 5.487 -0.380) 5.766 9.622 ( 4.736 -2.505 -0.084) 5.358 9.629 ( -4.653 -3.032 -0.190) 5.557 15.819 ( -0.121 -2.215 -0.077) 2.219 15.900 ( 0.141 -3.494 -0.010) 3.497 ======================= Grid point 361 (175/256) ======================= q-point: (-0.40 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.785 ( -13.161 13.632 0.410) 18.953 3.197 ( 4.489 7.894 -0.081) 9.081 3.508 ( -13.003 4.458 -0.177) 13.747 3.618 ( -10.546 3.837 -1.148) 11.281 3.928 ( -13.334 7.706 0.607) 15.413 4.091 ( -6.818 8.658 0.662) 11.040 4.719 ( -4.051 27.823 -1.223) 28.143 4.802 ( 0.266 26.059 1.064) 26.082 6.600 ( -6.855 17.630 -0.192) 18.917 6.750 ( 0.534 16.502 -0.591) 16.521 6.995 ( -0.484 12.478 0.874) 12.518 7.068 ( 1.153 10.492 -0.246) 10.558 7.721 ( -0.931 -4.326 -0.007) 4.425 7.768 ( 0.426 -5.909 0.403) 5.938 7.874 ( 0.854 2.037 -0.338) 2.234 7.957 ( 3.835 4.718 0.184) 6.083 8.194 ( -4.854 -6.395 0.330) 8.035 8.360 ( 1.632 -3.808 -0.226) 4.149 9.196 ( -5.108 9.821 0.132) 11.071 9.355 ( -2.445 -1.335 -0.335) 2.806 9.610 ( 3.082 2.358 -0.659) 3.936 9.748 ( 6.470 -5.264 0.104) 8.341 15.735 ( -8.167 -2.293 0.057) 8.483 15.819 ( -8.059 -3.382 -0.154) 8.741 ======================= Grid point 362 (176/256) ======================= q-point: (-0.30 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -13.065 17.487 0.153) 21.829 3.084 ( -19.215 17.650 1.079) 26.113 3.283 ( -20.947 0.677 -1.103) 20.987 3.297 ( -8.211 -4.739 -1.510) 9.599 3.608 ( -16.572 7.087 0.084) 18.024 3.878 ( -14.365 9.575 0.464) 17.270 4.626 ( -4.619 29.496 -0.968) 29.871 4.815 ( 0.867 24.816 1.757) 24.894 6.425 ( -10.730 21.599 0.103) 24.118 6.699 ( -5.421 22.126 -0.483) 22.785 7.027 ( 3.443 7.487 0.700) 8.270 7.096 ( 1.930 6.397 -0.996) 6.755 7.686 ( -3.102 -2.628 0.123) 4.067 7.741 ( -3.730 -6.975 0.748) 7.945 7.922 ( 2.936 0.167 -0.107) 2.943 7.983 ( -1.615 4.090 0.363) 4.412 8.193 ( 6.005 -6.892 -0.065) 9.142 8.376 ( 0.980 -1.225 -0.106) 1.572 9.150 ( 0.756 9.422 0.388) 9.460 9.290 ( -3.239 -1.618 -0.294) 3.633 9.677 ( 2.933 1.918 -1.180) 3.698 9.849 ( 3.288 -6.454 0.092) 7.244 15.518 ( -13.256 -2.360 0.241) 13.466 15.601 ( -13.362 -3.297 -0.351) 13.767 ======================= Grid point 363 (177/256) ======================= q-point: (-0.20 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( -9.527 19.654 -0.150) 21.842 2.625 ( -25.508 13.908 1.215) 29.079 2.774 ( -27.246 2.786 -2.564) 27.508 2.980 ( -23.210 3.889 1.238) 23.566 3.426 ( -3.912 2.740 -1.801) 5.104 3.565 ( -16.120 10.008 0.012) 18.974 4.552 ( -2.409 29.715 -0.575) 29.818 4.846 ( 1.633 23.309 2.414) 23.490 6.198 ( -11.746 24.367 0.302) 27.052 6.564 ( -7.337 24.301 -0.566) 25.391 7.102 ( 3.073 4.549 0.092) 5.491 7.146 ( 3.739 4.296 -0.921) 5.770 7.588 ( -6.616 -0.925 -0.175) 6.683 7.636 ( -6.473 -10.753 1.339) 12.622 7.949 ( 0.275 1.909 -0.262) 1.946 7.974 ( 0.715 0.388 0.115) 0.821 8.370 ( 10.831 -3.967 -0.528) 11.547 8.430 ( 4.385 3.076 1.200) 5.489 9.222 ( 2.734 2.687 0.188) 3.838 9.227 ( -0.177 0.530 -0.007) 0.558 9.710 ( 0.989 0.829 -1.879) 2.280 9.867 ( -1.627 -7.105 0.020) 7.289 15.248 ( -13.402 -2.447 0.420) 13.630 15.325 ( -13.665 -3.232 -0.539) 14.052 ======================= Grid point 364 (178/256) ======================= q-point: (-0.10 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -17.091 5.845 0.148) 18.063 2.153 ( -10.135 17.735 -0.529) 20.433 2.295 ( -17.570 10.819 -1.380) 20.680 2.556 ( -17.412 10.409 1.173) 20.319 3.249 ( -11.700 13.106 0.561) 17.577 3.394 ( -2.211 2.173 -2.939) 4.272 4.528 ( -0.153 28.317 -0.171) 28.317 4.885 ( 1.516 22.286 2.739) 22.504 5.996 ( -7.946 26.002 0.378) 27.192 6.436 ( -5.006 25.154 -0.663) 25.656 7.141 ( 1.402 2.542 -1.006) 3.072 7.228 ( 4.007 3.315 -0.038) 5.201 7.461 ( -5.404 -1.238 0.373) 5.557 7.515 ( -5.444 -11.337 0.490) 12.586 7.957 ( 0.403 2.274 -0.105) 2.312 7.986 ( 0.512 0.931 -0.087) 1.066 8.518 ( 3.510 6.920 2.755) 8.234 8.592 ( 10.819 -5.091 -1.110) 12.008 9.131 ( -5.694 -1.230 -0.077) 5.826 9.385 ( 9.409 -1.196 0.115) 9.486 9.715 ( 0.197 0.602 -2.489) 2.568 9.787 ( -6.247 -7.088 -0.057) 9.448 15.027 ( -8.343 -2.548 0.550) 8.740 15.097 ( -8.612 -3.199 -0.671) 9.211 ======================= Grid point 365 (179/256) ======================= q-point: ( 0.00 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.082 0.326 -1.460) 1.499 2.082 ( 0.839 -2.032 0.588) 2.276 2.526 ( -0.202 16.709 -1.347) 16.765 2.823 ( 0.203 25.136 -0.395) 25.140 3.344 ( -0.331 -2.256 -0.356) 2.308 3.412 ( -0.069 11.955 0.285) 11.958 4.971 ( -0.295 15.420 -1.178) 15.468 5.212 ( 0.196 8.474 2.293) 8.781 6.393 ( 0.264 20.744 0.538) 20.753 6.777 ( -0.123 13.400 -0.870) 13.428 7.206 ( 0.363 2.444 -1.230) 2.761 7.261 ( 0.194 -4.118 -0.034) 4.123 7.317 ( -0.901 -1.949 0.429) 2.190 7.375 ( 0.428 2.386 0.636) 2.506 8.008 ( -0.200 1.418 -0.557) 1.537 8.042 ( 0.141 4.346 -0.051) 4.348 8.599 ( -0.335 -4.725 0.150) 4.739 8.654 ( 0.327 0.554 1.038) 1.221 9.076 ( -0.095 2.909 -0.042) 2.911 9.449 ( 0.128 -4.607 -0.104) 4.609 9.591 ( -0.035 -1.876 0.181) 1.885 9.688 ( -0.072 -2.687 -0.875) 2.827 14.902 ( 0.061 -1.647 0.605) 1.756 14.948 ( -0.088 -2.589 -0.664) 2.674 ======================= Grid point 366 (180/256) ======================= q-point: ( 0.10 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 20.934 -0.057 -1.302) 20.975 2.316 ( 20.984 -1.377 -0.312) 21.031 2.578 ( 6.221 16.917 -0.611) 18.035 2.956 ( 12.617 23.368 -0.450) 26.560 3.354 ( 1.420 -1.931 -0.099) 2.399 3.519 ( 10.369 12.065 0.374) 15.913 4.969 ( 0.569 15.492 -0.721) 15.520 5.211 ( -0.680 8.464 1.740) 8.668 6.464 ( 6.433 19.517 0.225) 20.551 6.816 ( 4.007 12.912 -0.687) 13.537 7.205 ( -0.336 5.429 -1.200) 5.570 7.279 ( 1.334 -0.479 0.120) 1.423 7.346 ( 2.510 -2.445 1.165) 3.692 7.415 ( 4.966 -2.489 -0.166) 5.557 8.000 ( -0.646 2.152 -0.254) 2.261 8.033 ( -0.889 3.532 -0.251) 3.651 8.496 ( -8.517 -3.103 0.120) 9.065 8.589 ( -6.687 -0.836 0.727) 6.778 9.136 ( 4.819 1.850 0.030) 5.162 9.381 ( -4.276 -0.383 0.201) 4.298 9.671 ( 5.155 -4.287 -0.020) 6.704 9.687 ( 0.145 -2.279 -0.750) 2.404 14.991 ( 8.518 -1.642 0.552) 8.692 15.032 ( 8.436 -2.616 -0.579) 8.851 ======================= Grid point 367 (181/256) ======================= q-point: ( 0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.550 ( 15.314 4.109 -2.132) 15.998 2.803 ( 26.074 -1.116 -1.332) 26.132 2.838 ( 22.046 12.207 1.264) 25.232 3.243 ( 12.439 15.159 0.025) 19.610 3.435 ( 10.108 5.236 0.074) 11.384 3.785 ( 15.497 11.090 0.342) 19.059 4.996 ( 2.396 15.645 -0.317) 15.830 5.202 ( -0.461 9.005 1.156) 9.090 6.617 ( 8.227 15.777 -0.263) 17.795 6.912 ( 5.130 10.910 -0.511) 12.067 7.200 ( 0.380 6.920 -0.514) 6.950 7.274 ( -1.397 10.507 0.557) 10.614 7.432 ( 5.338 -9.612 0.574) 11.010 7.565 ( 9.324 -2.482 -0.229) 9.651 7.978 ( -1.509 2.764 -0.011) 3.149 8.010 ( -1.363 2.000 -0.345) 2.445 8.312 ( -9.556 -1.608 -0.054) 9.691 8.438 ( -7.373 -1.900 0.357) 7.622 9.221 ( 3.304 0.890 0.083) 3.423 9.318 ( -2.113 3.415 0.400) 4.035 9.690 ( 0.300 -1.409 -0.596) 1.559 9.744 ( 1.876 -5.034 -0.084) 5.373 15.217 ( 13.511 -1.582 0.372) 13.608 15.255 ( 13.556 -2.701 -0.357) 13.827 ======================= Grid point 368 (182/256) ======================= q-point: ( 0.30 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( 10.959 7.791 -1.449) 13.524 3.190 ( 9.395 -6.207 -1.126) 11.317 3.328 ( 23.558 7.757 0.163) 24.803 3.430 ( 12.991 12.440 1.270) 18.032 3.774 ( 19.786 12.431 -0.252) 23.368 4.084 ( 13.714 10.560 0.240) 17.310 5.058 ( 3.600 15.250 -0.015) 15.669 5.203 ( 0.330 10.126 0.716) 10.157 6.755 ( 5.448 10.384 -0.706) 11.748 6.975 ( 0.489 7.466 -0.511) 7.499 7.223 ( 1.946 9.315 0.071) 9.516 7.266 ( 1.190 13.973 0.859) 14.050 7.528 ( 4.037 -8.959 0.429) 9.836 7.735 ( 6.211 1.319 -0.408) 6.362 7.949 ( -1.434 1.433 -0.311) 2.051 7.987 ( 0.373 -0.986 0.177) 1.069 8.137 ( -7.605 0.962 -0.014) 7.665 8.344 ( -2.086 -1.778 -0.018) 2.741 9.271 ( 2.187 -0.087 0.078) 2.191 9.302 ( 0.501 4.767 0.323) 4.804 9.685 ( -0.969 -0.052 -0.443) 1.066 9.739 ( -2.276 -4.450 -0.071) 4.999 15.489 ( 13.190 -1.521 0.114) 13.278 15.529 ( 13.430 -2.788 -0.063) 13.717 ======================= Grid point 369 (183/256) ======================= q-point: ( 0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 9.392 5.615 -0.846) 10.975 3.227 ( -2.165 -1.307 -0.503) 2.579 3.694 ( 12.743 7.525 0.047) 14.799 3.716 ( 12.090 9.964 0.674) 15.681 4.117 ( 14.025 11.432 -0.309) 18.097 4.288 ( 6.259 10.616 0.144) 12.325 5.124 ( 2.749 14.268 0.133) 14.531 5.214 ( 0.440 11.630 0.536) 11.651 6.828 ( 2.487 6.648 -0.699) 7.132 6.939 ( -2.963 6.199 -0.623) 6.899 7.266 ( 1.908 9.999 0.313) 10.185 7.310 ( 2.168 12.526 1.112) 12.761 7.600 ( 3.625 -5.105 0.086) 6.261 7.755 ( -3.054 2.765 -0.270) 4.129 7.918 ( -1.091 2.086 -0.558) 2.420 7.982 ( -3.255 -1.129 0.109) 3.447 8.121 ( 6.679 0.831 0.407) 6.743 8.322 ( -1.298 -0.846 -0.120) 1.555 9.318 ( 2.643 -0.659 0.054) 2.725 9.339 ( 2.808 2.747 0.028) 3.929 9.647 ( -2.597 1.399 -0.290) 2.964 9.668 ( -4.281 -2.740 -0.055) 5.082 15.703 ( 7.930 -1.499 -0.035) 8.070 15.750 ( 8.318 -2.829 0.103) 8.787 ======================= Grid point 370 (184/256) ======================= q-point: (-0.50 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.127 ( -0.832 2.252 -0.270) 2.416 3.154 ( 0.722 2.518 -0.647) 2.698 3.815 ( -0.503 8.507 0.259) 8.525 3.848 ( 0.645 8.300 0.224) 8.328 4.283 ( 0.103 11.307 -0.662) 11.327 4.327 ( -0.025 10.518 0.404) 10.526 5.157 ( 0.465 13.214 0.007) 13.222 5.215 ( -0.637 13.075 0.703) 13.110 6.855 ( -0.448 5.280 -0.216) 5.304 6.897 ( 0.433 6.457 -0.983) 6.545 7.286 ( -0.132 8.973 0.400) 8.983 7.340 ( 0.419 11.068 0.967) 11.118 7.661 ( -2.960 0.284 -0.142) 2.977 7.687 ( 2.546 -1.039 0.054) 2.751 7.907 ( 0.016 1.630 -0.533) 1.715 7.946 ( -0.114 2.288 0.109) 2.293 8.245 ( 2.639 -0.201 0.517) 2.697 8.267 ( -2.507 -0.017 -0.254) 2.520 9.355 ( 0.017 -0.347 0.004) 0.348 9.376 ( -0.153 -0.708 -0.098) 0.731 9.612 ( 0.238 0.671 -0.199) 0.739 9.614 ( 0.101 0.862 -0.133) 0.878 15.782 ( -0.175 -1.490 0.005) 1.501 15.836 ( 0.203 -2.835 0.053) 2.843 ======================= Grid point 371 (185/256) ======================= q-point: (-0.40 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.980 ( -9.336 6.155 -0.651) 11.201 3.222 ( 1.553 -2.484 -0.324) 2.948 3.685 ( -12.280 10.214 0.516) 15.981 3.735 ( -12.014 7.577 -0.117) 14.205 4.119 ( -13.750 11.256 -0.371) 17.774 4.289 ( -6.280 10.401 0.120) 12.150 5.141 ( -1.947 13.571 -0.692) 13.727 5.194 ( -1.538 13.039 1.464) 13.211 6.817 ( -2.730 6.340 -0.390) 6.913 6.942 ( 3.137 6.643 -0.672) 7.377 7.264 ( -2.005 9.702 0.373) 9.914 7.330 ( -1.599 11.942 0.481) 12.058 7.577 ( -4.055 -3.915 0.738) 5.684 7.760 ( 2.664 2.293 -0.407) 3.538 7.917 ( 1.242 1.969 -0.504) 2.382 7.981 ( 3.475 -0.620 0.157) 3.533 8.132 ( -7.136 0.843 0.051) 7.185 8.316 ( 1.693 -0.942 0.061) 1.938 9.319 ( -2.589 -0.762 0.033) 2.699 9.335 ( -2.905 2.612 0.145) 3.909 9.653 ( 2.877 1.222 -0.484) 3.163 9.670 ( 4.333 -2.550 -0.125) 5.029 15.697 ( -8.216 -1.484 0.161) 8.350 15.757 ( -7.988 -2.811 -0.134) 8.470 ======================= Grid point 372 (186/256) ======================= q-point: (-0.30 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( -10.875 8.021 -1.132) 13.561 3.154 ( -11.722 -6.094 0.104) 13.212 3.357 ( -21.364 8.385 -0.608) 22.958 3.438 ( -13.336 11.755 0.765) 17.793 3.784 ( -19.058 11.285 -0.537) 22.155 4.085 ( -13.756 10.279 0.204) 17.174 5.084 ( -3.253 15.338 -1.350) 15.737 5.173 ( -0.887 11.233 2.202) 11.481 6.738 ( -5.599 10.186 -0.168) 11.624 6.981 ( -0.082 7.535 -0.633) 7.562 7.223 ( -1.676 9.305 0.088) 9.455 7.291 ( -1.668 13.561 -0.031) 13.664 7.502 ( -4.215 -8.339 1.215) 9.423 7.737 ( -5.996 1.683 -0.372) 6.239 7.955 ( 2.432 1.912 -0.572) 3.146 7.991 ( -1.494 -1.557 0.077) 2.159 8.131 ( 7.493 0.899 0.201) 7.550 8.346 ( 2.306 -1.679 -0.060) 2.853 9.272 ( -2.187 -0.217 0.042) 2.199 9.298 ( -0.608 4.816 0.439) 4.874 9.694 ( 1.161 -0.377 -0.698) 1.405 9.741 ( 2.277 -4.393 -0.137) 4.950 15.479 ( -13.317 -1.497 0.339) 13.406 15.541 ( -13.286 -2.757 -0.354) 13.574 ======================= Grid point 373 (187/256) ======================= q-point: (-0.20 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( -14.220 4.620 -1.806) 15.061 2.742 ( -26.020 -0.273 1.062) 26.044 2.894 ( -22.377 10.794 -0.901) 24.861 3.232 ( -13.143 16.283 0.367) 20.929 3.463 ( -9.762 3.327 -0.804) 10.345 3.786 ( -15.564 10.798 0.296) 18.945 5.022 ( -2.413 16.111 -1.596) 16.369 5.173 ( 0.325 9.781 2.565) 10.117 6.598 ( -8.069 15.522 0.275) 17.496 6.923 ( -4.890 10.687 -0.790) 11.779 7.205 ( -0.292 6.297 -0.595) 6.331 7.285 ( 0.731 11.032 0.034) 11.056 7.412 ( -4.869 -9.093 1.192) 10.383 7.566 ( -9.450 -1.825 -0.208) 9.627 7.993 ( 1.733 2.318 -0.558) 2.948 8.004 ( 1.201 2.232 -0.062) 2.535 8.309 ( 9.875 -2.015 0.067) 10.079 8.438 ( 6.946 -1.552 0.369) 7.126 9.223 ( -3.275 0.966 0.015) 3.414 9.313 ( 1.989 3.522 0.537) 4.080 9.698 ( -0.219 -1.852 -0.837) 2.044 9.746 ( -1.845 -5.135 -0.137) 5.458 15.208 ( -13.484 -1.538 0.484) 13.580 15.266 ( -13.599 -2.684 -0.535) 13.872 ======================= Grid point 374 (188/256) ======================= q-point: (-0.10 0.36 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -20.469 -0.292 -1.844) 20.554 2.279 ( -19.157 -1.119 1.163) 19.225 2.598 ( -7.577 16.956 -1.244) 18.613 2.949 ( -12.168 23.324 -0.209) 26.308 3.369 ( -2.114 -2.439 -0.596) 3.282 3.520 ( -10.486 11.817 0.338) 15.802 4.985 ( -0.963 15.859 -1.530) 15.962 5.194 ( 0.912 8.894 2.613) 9.315 6.452 ( -6.027 19.348 0.556) 20.272 6.824 ( -4.118 12.783 -0.909) 13.461 7.204 ( 0.252 4.254 -1.050) 4.389 7.278 ( -1.845 -1.519 0.146) 2.394 7.355 ( -0.900 1.075 0.801) 1.615 7.407 ( -5.916 -3.143 0.095) 6.700 8.010 ( 0.230 1.432 -0.738) 1.628 8.028 ( 1.237 4.138 0.062) 4.320 8.499 ( 8.742 -3.973 -0.026) 9.603 8.583 ( 6.300 0.005 0.995) 6.378 9.139 ( -4.847 1.963 -0.046) 5.229 9.378 ( 4.345 -0.219 0.303) 4.361 9.670 ( -4.785 -4.288 -0.087) 6.426 9.694 ( -0.547 -2.817 -0.873) 2.999 14.986 ( -8.414 -1.600 0.574) 8.584 15.038 ( -8.584 -2.620 -0.643) 8.998 ======================= Grid point 375 (189/256) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 0.133 1.297 -1.048) 1.673 2.028 ( 0.682 -2.937 0.292) 3.029 2.829 ( -0.236 13.843 -1.405) 13.916 3.248 ( -0.579 -6.561 0.351) 6.596 3.273 ( 0.575 18.859 -0.312) 18.871 3.588 ( 0.042 4.185 0.215) 4.191 5.154 ( -0.320 4.834 -1.101) 4.968 5.275 ( 0.067 -0.922 0.586) 1.094 6.711 ( 0.196 10.673 0.818) 10.706 6.876 ( -0.019 -1.472 -0.470) 1.545 7.204 ( 0.172 2.037 -0.030) 2.044 7.242 ( 0.367 -2.528 -0.286) 2.570 7.383 ( -0.614 8.461 -0.727) 8.515 7.474 ( -0.150 4.590 0.470) 4.617 8.049 ( -0.012 2.974 -0.630) 3.040 8.116 ( 0.097 2.437 0.017) 2.439 8.524 ( 0.024 -1.945 0.635) 2.046 8.623 ( -0.065 -3.471 0.595) 3.522 9.154 ( -0.101 4.658 -0.053) 4.659 9.353 ( -0.024 -5.026 -0.075) 5.027 9.572 ( 0.107 -0.347 0.112) 0.380 9.625 ( 0.006 -3.146 -0.286) 3.159 14.880 ( 0.026 -0.522 0.409) 0.664 14.905 ( -0.078 -1.716 -0.396) 1.763 ======================= Grid point 376 (190/256) ======================= q-point: ( 0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 20.475 1.286 -1.150) 20.547 2.262 ( 20.959 -3.225 -0.244) 21.207 2.884 ( 6.339 13.685 -0.853) 15.106 3.264 ( 2.499 -3.846 0.674) 4.635 3.397 ( 11.369 16.588 -0.600) 20.119 3.691 ( 9.912 4.181 0.126) 10.758 5.153 ( 0.601 4.801 -0.529) 4.868 5.272 ( -0.346 -0.994 0.442) 1.142 6.757 ( 3.925 9.672 0.531) 10.451 6.912 ( 3.422 -1.346 -0.381) 3.697 7.245 ( 3.259 0.596 -0.124) 3.315 7.270 ( 2.216 -1.026 -0.356) 2.468 7.417 ( 4.441 7.832 -0.039) 9.003 7.480 ( 1.020 5.742 0.190) 5.835 8.045 ( -0.265 2.879 -0.513) 2.937 8.103 ( -1.445 2.618 -0.133) 2.993 8.445 ( -7.227 -1.486 0.503) 7.395 8.542 ( -7.459 -3.688 0.463) 8.333 9.196 ( 3.508 3.878 0.106) 5.230 9.351 ( -0.188 -2.784 0.206) 2.798 9.609 ( 3.062 -1.942 -0.114) 3.628 9.631 ( 0.708 -2.760 -0.325) 2.867 14.968 ( 8.512 -0.606 0.404) 8.543 14.989 ( 8.408 -1.647 -0.345) 8.574 ======================= Grid point 377 (191/256) ======================= q-point: ( 0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.594 ( 20.118 2.010 -1.769) 20.296 2.731 ( 23.507 -4.378 -0.748) 23.923 3.099 ( 16.484 11.764 0.210) 20.253 3.357 ( 7.396 -0.800 1.126) 7.524 3.690 ( 17.631 15.548 -0.826) 23.521 3.948 ( 15.236 4.231 -0.057) 15.813 5.179 ( 2.095 4.403 0.187) 4.880 5.271 ( 0.316 -0.496 0.438) 0.733 6.844 ( 4.199 7.613 0.085) 8.695 6.989 ( 3.918 -1.361 -0.195) 4.152 7.291 ( 1.787 0.600 -0.318) 1.911 7.325 ( 2.339 -1.523 0.377) 2.816 7.510 ( 4.299 10.875 0.311) 11.698 7.579 ( 9.666 4.785 -0.418) 10.794 8.032 ( -1.073 2.573 -0.396) 2.816 8.061 ( -2.539 2.921 -0.252) 3.878 8.287 ( -8.039 -0.849 0.380) 8.092 8.383 ( -7.296 -3.529 0.278) 8.109 9.256 ( 2.058 2.448 0.238) 3.207 9.346 ( -0.414 -0.589 0.373) 0.811 9.651 ( 1.274 -2.002 -0.368) 2.402 9.664 ( 1.941 -2.978 -0.238) 3.563 15.194 ( 13.534 -0.664 0.319) 13.554 15.212 ( 13.491 -1.609 -0.203) 13.589 ======================= Grid point 378 (192/256) ======================= q-point: ( 0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.889 ( 11.268 3.898 -1.660) 12.038 3.072 ( 10.401 -5.638 -1.048) 11.877 3.497 ( 21.010 7.802 0.567) 22.420 3.589 ( 15.191 4.082 1.289) 15.783 4.047 ( 17.858 13.282 -0.965) 22.277 4.247 ( 14.153 4.779 -0.315) 14.942 5.232 ( 2.931 3.821 0.729) 4.871 5.290 ( 1.351 0.296 0.627) 1.519 6.907 ( 2.193 5.686 -0.252) 6.099 7.040 ( 0.825 -0.724 -0.059) 1.099 7.317 ( 0.514 -0.217 -0.051) 0.560 7.355 ( 1.265 -1.075 0.490) 1.731 7.611 ( 5.291 12.006 -0.023) 13.121 7.774 ( 8.047 2.819 -0.321) 8.533 7.999 ( -1.618 3.372 -0.371) 3.759 8.021 ( -0.473 3.993 0.006) 4.021 8.150 ( -5.514 0.096 0.284) 5.522 8.300 ( -1.131 -3.121 0.070) 3.320 9.281 ( 0.804 1.048 0.191) 1.335 9.341 ( -0.001 -0.440 0.269) 0.515 9.667 ( 0.105 -1.335 -0.317) 1.376 9.673 ( -0.908 -2.175 -0.185) 2.364 15.467 ( 13.226 -0.661 0.143) 13.244 15.485 ( 13.352 -1.637 0.019) 13.452 ======================= Grid point 379 (193/256) ======================= q-point: ( 0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.062 ( 6.896 2.877 -1.122) 7.556 3.178 ( 1.933 -3.013 -0.878) 3.685 3.840 ( 12.532 6.250 0.495) 14.013 3.871 ( 11.216 5.217 0.845) 12.399 4.350 ( 12.350 10.714 -1.010) 16.381 4.465 ( 7.259 6.064 -0.552) 9.475 5.285 ( 1.912 3.393 0.859) 3.988 5.322 ( 1.534 1.029 0.997) 2.099 6.937 ( 1.205 4.427 -0.291) 4.597 7.023 ( -2.010 1.409 -0.082) 2.456 7.318 ( -0.083 -1.472 0.043) 1.475 7.375 ( 0.292 -2.198 0.413) 2.256 7.703 ( 4.016 9.846 -0.006) 10.634 7.821 ( -1.664 2.739 -0.158) 3.209 7.979 ( -0.374 4.004 -0.370) 4.038 8.038 ( -1.590 6.349 0.199) 6.548 8.140 ( 6.277 0.581 0.224) 6.308 8.303 ( 0.271 -1.796 -0.102) 1.819 9.302 ( 1.488 -0.383 0.023) 1.536 9.347 ( 0.277 -1.533 0.048) 1.558 9.638 ( -1.999 -0.641 -0.057) 2.101 9.651 ( -1.586 -0.685 -0.217) 1.741 15.682 ( 7.979 -0.586 0.039) 8.000 15.704 ( 8.241 -1.734 0.141) 8.423 ======================= Grid point 380 (194/256) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.148 ( 0.549 0.581 -0.788) 1.122 3.171 ( -0.789 -0.182 -0.778) 1.123 3.967 ( 0.096 6.062 0.429) 6.078 3.989 ( 0.044 5.181 0.602) 5.216 4.492 ( -0.005 8.648 -1.140) 8.722 4.518 ( 0.005 7.575 -0.452) 7.588 5.305 ( -0.113 3.227 0.895) 3.351 5.344 ( 0.168 1.538 1.023) 1.855 6.948 ( -0.705 3.764 0.061) 3.830 6.997 ( 0.573 2.771 -0.376) 2.855 7.315 ( -0.451 -1.813 0.190) 1.878 7.377 ( 0.282 -3.550 0.277) 3.572 7.766 ( 0.676 6.469 -0.174) 6.507 7.778 ( -0.510 6.333 0.110) 6.354 7.977 ( -0.053 5.390 -0.299) 5.399 8.014 ( -0.030 4.486 0.138) 4.488 8.254 ( 2.374 0.505 0.345) 2.451 8.277 ( -2.131 0.171 -0.324) 2.162 9.329 ( -0.202 -1.508 -0.104) 1.526 9.342 ( 0.018 -2.044 0.012) 2.044 9.621 ( 0.157 0.020 -0.144) 0.214 9.625 ( 0.109 -0.070 -0.083) 0.154 15.762 ( -0.121 -0.475 0.070) 0.495 15.790 ( 0.147 -1.849 0.096) 1.857 ======================= Grid point 381 (195/256) ======================= q-point: (-0.40 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -6.989 2.722 -1.042) 7.572 3.163 ( -2.402 -2.995 -0.362) 3.856 3.850 ( -11.844 6.216 0.245) 13.378 3.874 ( -11.396 5.236 0.679) 12.559 4.346 ( -12.316 10.444 -0.847) 16.170 4.461 ( -7.278 5.871 -0.466) 9.362 5.288 ( -1.702 3.140 0.841) 3.670 5.330 ( -1.680 1.861 0.659) 2.592 6.922 ( -1.481 4.538 0.149) 4.775 7.031 ( 1.998 1.045 -0.299) 2.274 7.305 ( -0.405 -1.248 0.494) 1.402 7.384 ( -0.137 -2.266 0.082) 2.271 7.710 ( -3.746 10.110 -0.225) 10.784 7.821 ( 1.882 2.765 -0.140) 3.347 7.975 ( 0.313 4.299 -0.273) 4.319 8.039 ( 1.914 5.768 0.189) 6.080 8.153 ( -6.804 0.750 -0.197) 6.848 8.298 ( 0.184 -1.659 0.068) 1.670 9.299 ( -1.495 -0.471 0.122) 1.572 9.344 ( -0.407 -1.481 0.123) 1.541 9.641 ( 2.075 -0.672 -0.167) 2.187 9.654 ( 1.745 -0.767 -0.325) 1.934 15.678 ( -8.180 -0.384 0.163) 8.191 15.710 ( -8.001 -1.923 -0.038) 8.229 ======================= Grid point 382 (196/256) ======================= q-point: (-0.30 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.879 ( -11.262 3.612 -1.317) 11.900 3.041 ( -11.137 -5.167 -0.015) 12.278 3.522 ( -20.344 7.301 -0.267) 21.616 3.597 ( -14.926 4.238 0.984) 15.547 4.039 ( -17.784 12.854 -0.698) 21.954 4.242 ( -14.128 4.468 -0.169) 14.819 5.248 ( -2.327 3.287 0.212) 4.032 5.291 ( -2.030 1.715 0.568) 2.717 6.888 ( -2.294 5.912 0.293) 6.348 7.046 ( -0.901 -1.250 -0.185) 1.552 7.301 ( -0.411 0.088 0.613) 0.743 7.363 ( -1.823 -1.193 0.062) 2.180 7.622 ( -5.004 12.365 -0.378) 13.344 7.785 ( -7.259 3.046 -0.618) 7.897 7.996 ( 1.956 2.953 -0.335) 3.557 8.028 ( -0.186 4.090 -0.171) 4.097 8.145 ( 5.170 0.204 0.488) 5.197 8.303 ( 1.414 -3.076 -0.028) 3.385 9.280 ( -0.715 0.937 0.231) 1.201 9.338 ( -0.075 -0.407 0.367) 0.553 9.671 ( -0.040 -1.490 -0.428) 1.550 9.676 ( 0.827 -2.172 -0.261) 2.339 15.461 ( -13.316 -0.347 0.260) 13.323 15.494 ( -13.258 -1.929 -0.190) 13.399 ======================= Grid point 383 (197/256) ======================= q-point: (-0.20 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 424 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -19.253 1.620 -1.472) 19.377 2.691 ( -23.374 -3.463 0.622) 23.638 3.131 ( -16.721 10.982 -0.842) 20.023 3.370 ( -7.785 -0.621 0.707) 7.842 3.681 ( -17.456 15.109 -0.525) 23.093 3.943 ( -15.171 3.929 0.078) 15.671 5.203 ( -2.040 3.971 -0.795) 4.535 5.266 ( -0.619 0.761 0.834) 1.288 6.826 ( -4.085 7.997 0.569) 8.998 6.994 ( -3.915 -1.851 -0.246) 4.338 7.281 ( -1.679 0.847 0.303) 1.905 7.319 ( -2.840 -1.551 0.208) 3.243 7.527 ( -3.875 10.996 -0.233) 11.661 7.595 ( -9.732 5.182 -0.849) 11.058 8.035 ( 1.397 2.108 -0.568) 2.592 8.059 ( 2.348 2.828 -0.120) 3.678 8.281 ( 8.044 -0.706 0.616) 8.098 8.387 ( 7.062 -3.479 0.160) 7.874 9.258 ( -1.968 2.368 0.177) 3.084 9.343 ( 0.394 -0.476 0.447) 0.763 9.653 ( -1.301 -2.186 -0.432) 2.580 9.664 ( -1.988 -3.047 -0.224) 3.645 15.188 ( -13.516 -0.370 0.335) 13.525 15.220 ( -13.553 -1.878 -0.313) 13.686 ======================= Grid point 384 (198/256) ======================= q-point: (-0.10 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -19.934 0.749 -1.284) 19.989 2.236 ( -19.892 -2.593 0.768) 20.075 2.901 ( -6.961 13.403 -1.388) 15.166 3.272 ( -2.869 -3.688 0.426) 4.692 3.390 ( -11.104 16.310 -0.354) 19.734 3.688 ( -9.831 3.996 0.203) 10.614 5.170 ( -1.044 4.546 -1.243) 4.827 5.268 ( 0.369 -0.260 0.782) 0.903 6.746 ( -3.619 9.977 0.810) 10.645 6.914 ( -3.434 -1.662 -0.400) 3.836 7.237 ( -2.836 1.429 0.180) 3.181 7.261 ( -2.140 -1.498 -0.149) 2.616 7.441 ( -5.270 7.085 -0.945) 8.880 7.482 ( -1.012 6.605 0.248) 6.687 8.048 ( 0.308 2.555 -0.679) 2.662 8.099 ( 1.550 2.543 0.020) 2.978 8.441 ( 7.231 -1.469 0.631) 7.405 8.542 ( 7.265 -3.606 0.447) 8.123 9.199 ( -3.571 3.851 0.009) 5.252 9.351 ( 0.248 -2.645 0.209) 2.665 9.607 ( -3.032 -1.983 -0.039) 3.623 9.632 ( -0.707 -2.970 -0.344) 3.072 14.965 ( -8.460 -0.436 0.382) 8.480 14.994 ( -8.546 -1.798 -0.383) 8.742 ======================= Grid point 385 (199/256) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.405 -2.358 -0.368) 2.421 1.974 ( 0.405 2.358 -0.368) 2.421 3.073 ( -0.225 -10.700 -0.354) 10.708 3.073 ( -0.225 10.700 -0.354) 10.708 3.550 ( 0.180 -8.199 -0.073) 8.201 3.550 ( 0.180 8.199 -0.073) 8.201 5.225 ( -0.154 -3.187 -0.544) 3.236 5.225 ( -0.154 3.187 -0.544) 3.236 6.829 ( 0.014 -2.882 0.501) 2.925 6.829 ( 0.014 2.882 0.501) 2.925 7.229 ( 0.260 -0.527 -0.478) 0.758 7.229 ( 0.260 0.527 -0.478) 0.758 7.501 ( -0.362 -2.451 -0.285) 2.494 7.501 ( -0.362 2.451 -0.285) 2.494 8.114 ( 0.083 -2.617 -0.013) 2.619 8.114 ( 0.083 2.617 -0.013) 2.619 8.543 ( -0.044 -3.548 0.622) 3.603 8.543 ( -0.044 3.548 0.622) 3.603 9.252 ( -0.074 -5.101 -0.056) 5.102 9.252 ( -0.074 5.101 -0.056) 5.102 9.579 ( 0.087 -1.274 -0.087) 1.280 9.579 ( 0.087 1.274 -0.087) 1.280 14.882 ( -0.030 -0.650 0.021) 0.651 14.882 ( -0.030 0.650 0.021) 0.651 ======================= Grid point 387 (200/256) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 20.546 -2.653 -0.679) 20.728 2.202 ( 20.546 2.653 -0.679) 20.728 3.118 ( 4.922 -9.792 -0.016) 10.960 3.118 ( 4.922 9.792 -0.016) 10.960 3.657 ( 10.277 -7.796 -0.257) 12.902 3.657 ( 10.277 7.796 -0.257) 12.902 5.223 ( 0.140 -3.081 -0.232) 3.093 5.223 ( 0.140 3.081 -0.232) 3.093 6.865 ( 3.272 -2.778 0.437) 4.314 6.865 ( 3.272 2.778 0.437) 4.314 7.258 ( 2.434 -0.852 -0.500) 2.627 7.258 ( 2.434 0.852 -0.500) 2.627 7.528 ( 3.404 -1.811 -0.128) 3.858 7.528 ( 3.404 1.811 -0.128) 3.858 8.106 ( -0.853 -2.366 -0.121) 2.518 8.106 ( -0.853 2.366 -0.121) 2.518 8.463 ( -7.259 -3.343 0.530) 8.009 8.463 ( -7.259 3.343 0.530) 8.009 9.279 ( 2.096 -4.195 0.156) 4.692 9.279 ( 2.096 4.195 0.156) 4.692 9.595 ( 1.512 -0.585 -0.228) 1.637 9.595 ( 1.512 0.585 -0.228) 1.637 14.968 ( 8.453 -0.536 0.046) 8.470 14.968 ( 8.453 0.536 0.046) 8.470 ======================= Grid point 389 (201/256) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.649 ( 21.765 -3.590 -1.179) 22.090 2.649 ( 21.765 3.590 -1.179) 22.090 3.283 ( 12.434 -6.573 0.612) 14.078 3.283 ( 12.434 6.573 0.612) 14.078 3.924 ( 15.984 -6.907 -0.543) 17.421 3.924 ( 15.984 6.907 -0.543) 17.421 5.236 ( 1.230 -2.280 0.304) 2.609 5.236 ( 1.230 2.280 0.304) 2.609 6.939 ( 3.576 -2.990 0.345) 4.674 6.939 ( 3.576 2.990 0.345) 4.674 7.302 ( 1.840 -1.028 -0.305) 2.129 7.302 ( 1.840 1.028 -0.305) 2.129 7.638 ( 7.477 -1.247 -0.207) 7.583 7.638 ( 7.477 1.247 -0.207) 7.583 8.081 ( -1.619 -1.606 -0.255) 2.295 8.081 ( -1.619 1.606 -0.255) 2.295 8.308 ( -7.488 -3.309 0.465) 8.200 8.308 ( -7.488 3.309 0.465) 8.200 9.309 ( 0.658 -2.635 0.311) 2.734 9.309 ( 0.658 2.635 0.311) 2.734 9.631 ( 1.828 -0.267 -0.328) 1.876 9.631 ( 1.828 0.267 -0.328) 1.876 15.192 ( 13.504 -0.437 0.077) 13.511 15.192 ( 13.504 0.437 0.077) 13.511 ======================= Grid point 391 (202/256) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.970 ( 11.217 -4.543 -1.321) 12.174 2.970 ( 11.217 4.543 -1.321) 12.174 3.603 ( 18.158 -2.512 0.868) 18.351 3.603 ( 18.158 2.512 0.868) 18.351 4.243 ( 15.608 -5.465 -0.856) 16.559 4.243 ( 15.608 5.465 -0.856) 16.559 5.272 ( 2.186 -1.280 0.858) 2.675 5.272 ( 2.186 1.280 0.858) 2.675 6.990 ( 1.417 -3.219 0.220) 3.524 6.990 ( 1.417 3.219 0.220) 3.524 7.327 ( 0.663 -1.282 -0.124) 1.448 7.327 ( 0.663 1.282 -0.124) 1.448 7.779 ( 5.417 -3.797 -0.263) 6.621 7.779 ( 5.417 3.797 -0.263) 6.621 8.055 ( -0.363 -2.243 -0.170) 2.279 8.055 ( -0.363 2.243 -0.170) 2.279 8.208 ( -2.168 -5.790 0.302) 6.190 8.208 ( -2.168 5.790 0.302) 6.190 9.311 ( -0.187 -1.904 0.214) 1.925 9.311 ( -0.187 1.904 0.214) 1.925 9.651 ( 0.119 -0.081 -0.251) 0.289 9.651 ( 0.119 0.081 -0.251) 0.289 15.464 ( 13.280 -0.425 0.101) 13.287 15.464 ( 13.280 0.425 0.101) 13.287 ======================= Grid point 393 (203/256) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.118 ( 4.743 -2.945 -1.063) 5.683 3.118 ( 4.743 2.945 -1.063) 5.683 3.915 ( 11.780 -0.898 0.670) 11.833 3.915 ( 11.780 0.898 0.670) 11.833 4.496 ( 9.586 -3.188 -1.075) 10.160 4.496 ( 9.586 3.188 -1.075) 10.160 5.317 ( 1.789 -0.784 1.223) 2.304 5.317 ( 1.789 0.784 1.223) 2.304 7.002 ( -0.010 -2.409 0.126) 2.412 7.002 ( -0.010 2.409 0.126) 2.412 7.325 ( -0.621 -1.950 -0.041) 2.047 7.325 ( -0.621 1.950 -0.041) 2.047 7.830 ( 0.731 -2.417 -0.127) 2.529 7.830 ( 0.731 2.417 -0.127) 2.529 8.063 ( 0.410 -3.798 0.077) 3.821 8.063 ( 0.410 3.798 0.077) 3.821 8.225 ( 2.935 -6.224 -0.050) 6.882 8.225 ( 2.935 6.224 -0.049) 6.882 9.311 ( 0.220 -1.384 0.009) 1.401 9.311 ( 0.220 1.384 0.009) 1.401 9.636 ( -1.292 -0.479 -0.110) 1.382 9.636 ( -1.292 0.479 -0.110) 1.382 15.682 ( 8.103 -0.535 0.110) 8.122 15.682 ( 8.103 0.535 0.110) 8.122 ======================= Grid point 395 (204/256) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.161 ( -0.133 -0.688 -0.862) 1.111 3.161 ( -0.133 0.688 -0.862) 1.111 4.036 ( 0.063 -0.600 0.528) 0.802 4.036 ( 0.063 0.600 0.528) 0.802 4.591 ( -0.035 -0.754 -1.079) 1.317 4.591 ( -0.035 0.754 -1.079) 1.317 5.339 ( 0.078 -1.029 1.250) 1.620 5.339 ( 0.078 1.029 1.250) 1.620 6.999 ( -0.182 -1.603 0.157) 1.621 6.999 ( -0.182 1.603 0.157) 1.621 7.316 ( 0.036 -1.936 -0.032) 1.937 7.316 ( 0.036 1.936 -0.032) 1.937 7.836 ( 0.067 -0.379 -0.065) 0.391 7.836 ( 0.067 0.379 -0.065) 0.391 8.066 ( 0.077 -1.270 0.099) 1.276 8.066 ( 0.077 1.270 0.099) 1.276 8.264 ( 0.046 -0.923 -0.156) 0.937 8.264 ( 0.046 0.923 -0.156) 0.937 9.315 ( -0.084 -0.381 -0.080) 0.399 9.315 ( -0.084 0.381 -0.080) 0.399 9.620 ( 0.102 -0.123 -0.063) 0.172 9.620 ( 0.102 0.123 -0.063) 0.172 15.764 ( 0.012 -0.692 0.103) 0.699 15.764 ( 0.012 0.692 0.103) 0.699 ======================= Grid point 397 (205/256) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.109 ( -5.005 -2.507 -0.744) 5.647 3.109 ( -5.005 2.507 -0.744) 5.647 3.921 ( -11.566 -0.648 0.473) 11.593 3.921 ( -11.566 0.648 0.473) 11.593 4.490 ( -9.619 -3.257 -0.858) 10.192 4.490 ( -9.619 3.257 -0.858) 10.192 5.325 ( -1.689 -1.296 0.933) 2.324 5.325 ( -1.689 1.296 0.933) 2.324 6.996 ( -0.286 -3.100 0.316) 3.129 6.996 ( -0.286 3.100 0.316) 3.129 7.326 ( 0.625 -2.654 -0.079) 2.728 7.326 ( 0.625 2.654 -0.079) 2.728 7.834 ( -0.409 -2.162 -0.223) 2.212 7.834 ( -0.409 2.162 -0.223) 2.212 8.065 ( -0.423 -3.755 0.006) 3.779 8.065 ( -0.423 3.755 0.006) 3.779 8.226 ( -2.882 -5.618 -0.087) 6.315 8.226 ( -2.882 5.618 -0.087) 6.315 9.308 ( -0.305 -1.444 0.100) 1.479 9.308 ( -0.305 1.444 0.100) 1.479 9.639 ( 1.389 -0.467 -0.199) 1.479 9.639 ( 1.389 0.467 -0.199) 1.479 15.683 ( -8.086 -0.813 0.081) 8.127 15.683 ( -8.086 0.813 0.081) 8.127 ======================= Grid point 399 (206/256) ======================= q-point: (-0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( -11.450 -3.953 -0.658) 12.131 2.951 ( -11.450 3.953 -0.658) 12.131 3.618 ( -17.829 -2.028 0.363) 17.947 3.618 ( -17.829 2.028 0.363) 17.947 4.233 ( -15.533 -5.597 -0.518) 16.519 4.233 ( -15.533 5.597 -0.518) 16.519 5.286 ( -2.221 -1.284 0.407) 2.598 5.286 ( -2.221 1.284 0.407) 2.598 6.982 ( -1.506 -3.912 0.490) 4.221 6.982 ( -1.506 3.912 0.490) 4.221 7.325 ( -0.849 -1.943 -0.101) 2.123 7.325 ( -0.849 1.943 -0.101) 2.123 7.791 ( -4.801 -3.772 -0.638) 6.139 7.791 ( -4.801 3.772 -0.638) 6.139 8.052 ( 0.086 -2.445 -0.085) 2.448 8.052 ( 0.086 2.445 -0.085) 2.448 8.210 ( 2.126 -6.009 0.227) 6.378 8.210 ( 2.126 6.009 0.227) 6.378 9.309 ( 0.198 -1.865 0.297) 1.899 9.309 ( 0.198 1.865 0.297) 1.899 9.654 ( -0.141 -0.094 -0.320) 0.362 9.654 ( -0.141 0.094 -0.320) 0.362 15.466 ( -13.280 -0.860 0.052) 13.308 15.466 ( -13.280 0.860 0.052) 13.308 ======================= Grid point 401 (207/256) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.626 ( -21.322 -2.844 -0.409) 21.515 2.626 ( -21.322 2.844 -0.409) 21.515 3.301 ( -12.702 -6.045 -0.024) 14.067 3.301 ( -12.702 6.045 -0.024) 14.067 3.914 ( -15.786 -7.093 -0.215) 17.307 3.914 ( -15.786 7.093 -0.215) 17.307 5.249 ( -1.399 -1.629 -0.131) 2.152 5.249 ( -1.399 1.629 -0.131) 2.152 6.933 ( -3.522 -3.588 0.549) 5.057 6.933 ( -3.522 3.588 0.549) 5.057 7.295 ( -2.022 -0.792 -0.111) 2.174 7.295 ( -2.022 0.792 -0.111) 2.174 7.657 ( -7.253 -1.277 -0.785) 7.407 7.657 ( -7.253 1.277 -0.785) 7.407 8.076 ( 1.685 -1.450 -0.098) 2.226 8.076 ( 1.685 1.450 -0.098) 2.226 8.308 ( 7.273 -3.644 0.433) 8.146 8.308 ( 7.273 3.644 0.433) 8.146 9.309 ( -0.580 -2.515 0.313) 2.600 9.309 ( -0.580 2.515 0.313) 2.600 9.631 ( -1.893 -0.206 -0.313) 1.930 9.631 ( -1.893 0.206 -0.313) 1.930 15.193 ( -13.530 -0.832 0.026) 13.556 15.193 ( -13.530 0.832 0.026) 13.556 ======================= Grid point 403 (208/256) ======================= q-point: (-0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -19.818 -2.009 -0.247) 19.921 2.188 ( -19.818 2.009 -0.247) 19.921 3.128 ( -5.388 -9.509 -0.360) 10.936 3.128 ( -5.388 9.509 -0.360) 10.936 3.651 ( -9.971 -7.950 -0.053) 12.753 3.651 ( -9.971 7.950 -0.053) 12.753 5.231 ( -0.407 -2.533 -0.498) 2.613 5.231 ( -0.407 2.533 -0.498) 2.613 6.862 ( -3.233 -3.124 0.533) 4.528 6.862 ( -3.233 3.124 0.533) 4.528 7.251 ( -2.108 -0.228 -0.275) 2.138 7.251 ( -2.108 0.228 -0.275) 2.138 7.542 ( -3.859 -1.382 -0.586) 4.141 7.542 ( -3.859 1.382 -0.586) 4.141 8.104 ( 0.990 -2.172 -0.021) 2.387 8.104 ( 0.990 2.172 -0.021) 2.387 8.462 ( 7.104 -3.499 0.551) 7.938 8.462 ( 7.104 3.499 0.551) 7.938 9.281 ( -2.113 -4.116 0.092) 4.628 9.281 ( -2.113 4.116 0.092) 4.628 9.593 ( -1.453 -0.704 -0.161) 1.622 9.593 ( -1.453 0.704 -0.161) 1.622 14.969 ( -8.504 -0.753 0.013) 8.537 14.969 ( -8.504 0.753 0.013) 8.537 ======================= Grid point 465 (209/256) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -0.000 0.000 0.000) 0.000 0.638 ( 0.000 0.000 0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.930 ( -0.000 0.000 0.000) 0.000 2.570 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 3.216 ( -0.000 0.000 0.000) 0.000 4.060 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.155 ( 0.000 0.000 -0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 7.221 ( -0.000 0.000 0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 8.041 ( -0.000 0.000 0.000) 0.000 8.229 ( 0.000 0.000 0.000) 0.000 8.291 ( -0.000 0.000 0.000) 0.000 9.269 ( -0.000 0.000 0.000) 0.000 9.411 ( 0.000 0.000 0.000) 0.000 9.686 ( -0.000 0.000 0.000) 0.000 10.590 ( 0.000 0.000 0.000) 0.000 15.198 ( 0.000 0.000 0.000) 0.000 15.230 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 467 (210/256) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 17.281 0.000 -1.593) 17.354 1.056 ( 7.704 0.000 -4.321) 8.834 1.121 ( 36.594 0.000 1.354) 36.619 2.230 ( 26.110 0.000 1.343) 26.145 2.674 ( -3.062 0.000 0.455) 3.096 2.759 ( 18.134 0.000 -1.441) 18.192 3.365 ( 13.903 0.000 0.694) 13.920 4.047 ( -1.643 0.000 1.363) 2.135 4.133 ( 7.104 0.000 -0.090) 7.105 4.223 ( 6.628 0.000 0.125) 6.630 6.440 ( -0.462 0.000 -0.072) 0.468 6.461 ( -0.951 0.000 -0.031) 0.951 7.277 ( -0.009 0.000 -0.132) 0.132 7.304 ( 7.317 0.000 0.374) 7.327 7.324 ( -0.280 0.000 0.051) 0.284 8.085 ( 3.448 0.000 0.047) 3.449 8.187 ( -3.311 0.000 -0.721) 3.389 8.308 ( 2.367 0.000 0.117) 2.370 9.387 ( 6.386 0.000 -1.119) 6.483 9.442 ( 6.122 0.000 0.479) 6.141 9.558 ( -11.946 0.000 -0.158) 11.947 10.568 ( -2.256 0.000 0.393) 2.289 15.257 ( 6.139 0.000 -0.087) 6.140 15.312 ( 8.157 0.000 -0.334) 8.164 ======================= Grid point 468 (211/256) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 14.900 0.000 -3.481) 15.301 1.215 ( 20.580 0.000 -1.880) 20.666 1.921 ( 36.234 0.000 -0.756) 36.241 2.595 ( -4.930 0.000 0.801) 4.995 2.819 ( 30.927 0.000 1.769) 30.978 3.205 ( 25.650 0.000 -1.820) 25.714 3.702 ( 18.546 0.000 0.825) 18.565 4.018 ( -1.221 0.000 2.285) 2.591 4.316 ( 10.849 0.000 -0.082) 10.849 4.395 ( 10.159 0.000 0.153) 10.160 6.425 ( -1.106 0.000 -0.181) 1.121 6.437 ( -1.435 0.000 0.008) 1.435 7.277 ( 0.045 0.000 -0.293) 0.297 7.317 ( -0.414 0.000 0.161) 0.444 7.469 ( 8.756 0.000 0.486) 8.769 8.117 ( -1.656 0.000 1.117) 1.998 8.129 ( -1.097 0.000 -1.696) 2.020 8.424 ( 9.710 0.000 -0.296) 9.715 9.261 ( -17.094 0.000 0.008) 17.094 9.452 ( 3.507 0.000 -0.354) 3.524 9.619 ( 7.148 0.000 0.217) 7.151 10.501 ( -4.754 0.000 -0.003) 4.754 15.434 ( 11.357 0.000 -0.114) 11.357 15.533 ( 13.629 0.000 -0.413) 13.635 ======================= Grid point 469 (212/256) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 22.832 0.000 -4.779) 23.327 1.599 ( 18.455 0.000 -1.719) 18.535 2.461 ( 17.369 0.000 1.237) 17.413 2.487 ( -6.246 0.000 1.023) 6.329 3.391 ( 25.694 0.000 1.247) 25.724 3.696 ( 23.449 0.000 -1.912) 23.527 4.021 ( 3.808 0.000 0.266) 3.817 4.054 ( 13.330 0.000 2.867) 13.635 4.532 ( 10.483 0.000 -0.005) 10.483 4.595 ( 9.449 0.000 0.086) 9.449 6.398 ( -1.405 0.000 -0.216) 1.422 6.408 ( -1.453 0.000 0.033) 1.453 7.278 ( 0.115 0.000 -0.471) 0.485 7.310 ( -0.382 0.000 0.338) 0.510 7.646 ( 9.219 0.000 0.353) 9.225 8.079 ( -1.474 0.000 -0.286) 1.502 8.102 ( -1.799 0.000 0.045) 1.800 8.645 ( 9.527 0.000 -0.279) 9.531 8.930 ( -13.533 0.000 -0.031) 13.533 9.543 ( 5.064 0.000 0.430) 5.083 9.689 ( 0.731 0.000 -0.223) 0.764 10.378 ( -7.699 0.000 -0.569) 7.720 15.674 ( 12.219 0.000 0.129) 12.220 15.808 ( 13.461 0.000 -0.501) 13.471 ======================= Grid point 470 (213/256) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( 14.666 0.000 -1.483) 14.741 2.028 ( 22.189 0.000 -5.113) 22.770 2.351 ( -8.047 0.000 1.163) 8.131 2.602 ( -2.704 0.000 3.488) 4.413 3.808 ( 16.136 0.000 0.353) 16.140 4.043 ( 6.105 0.000 -1.107) 6.204 4.111 ( 10.823 0.000 0.565) 10.837 4.282 ( 7.178 0.000 1.231) 7.283 4.706 ( 6.705 0.000 0.061) 6.705 4.744 ( 5.210 0.000 -0.008) 5.210 6.374 ( -0.878 0.000 -0.133) 0.888 6.382 ( -1.048 0.000 0.015) 1.048 7.279 ( 0.101 0.000 -0.454) 0.465 7.305 ( -0.230 0.000 0.371) 0.436 7.839 ( 10.188 0.000 0.106) 10.189 8.054 ( -1.409 0.000 -1.274) 1.900 8.080 ( 0.586 0.000 1.481) 1.593 8.496 ( -16.467 0.000 -0.195) 16.468 9.024 ( 14.782 0.000 0.088) 14.782 9.532 ( -7.400 0.000 -0.284) 7.405 9.771 ( 8.855 0.000 0.776) 8.889 10.198 ( -10.162 0.000 -1.056) 10.216 15.880 ( 7.863 0.000 0.203) 7.866 16.025 ( 8.052 0.000 -0.394) 8.062 ======================= Grid point 471 (214/256) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 0.000 0.000 -0.000) 0.000 2.173 ( -0.000 0.000 0.000) 0.000 2.350 ( -0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.040 ( -0.000 0.000 0.000) 0.000 4.267 ( -0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.779 ( -0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 -0.000) 0.000 6.365 ( -0.000 0.000 0.000) 0.000 6.371 ( 0.000 0.000 0.000) 0.000 7.279 ( -0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 -0.000) 0.000 7.975 ( 0.000 0.000 0.000) 0.000 8.026 ( -0.000 0.000 0.000) 0.000 8.178 ( 0.000 0.000 0.000) 0.000 8.214 ( -0.000 0.000 0.000) 0.000 9.303 ( -0.000 0.000 0.000) 0.000 9.327 ( 0.000 0.000 0.000) 0.000 9.958 ( -0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 15.961 ( -0.000 0.000 0.000) 0.000 16.106 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 477 (215/256) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.000 15.201 0.000) 15.201 1.119 ( 0.000 4.442 0.000) 4.442 1.322 ( 0.000 49.174 0.000) 49.174 1.925 ( -0.000 -0.400 -0.000) 0.400 2.521 ( 0.000 -4.066 0.000) 4.066 3.005 ( 0.000 -13.710 -0.000) 13.710 3.012 ( 0.000 27.599 0.000) 27.599 4.027 ( 0.000 -3.104 0.000) 3.104 4.342 ( -0.000 17.723 0.000) 17.723 4.442 ( -0.000 30.842 0.000) 30.842 6.599 ( 0.000 12.072 0.000) 12.072 6.618 ( 0.000 12.325 0.000) 12.325 7.252 ( -0.000 2.917 0.000) 2.917 7.529 ( 0.000 20.605 0.000) 20.605 7.841 ( -0.000 37.395 0.000) 37.395 7.999 ( -0.000 -3.855 -0.000) 3.855 8.229 ( 0.000 3.470 0.000) 3.470 8.267 ( -0.000 -2.032 0.000) 2.032 9.242 ( -0.000 -2.624 0.000) 2.624 9.389 ( 0.000 -1.736 0.000) 1.736 9.676 ( -0.000 -0.971 0.000) 0.971 10.454 ( 0.000 -12.404 0.000) 12.404 15.160 ( 0.000 -3.410 0.000) 3.410 15.202 ( -0.000 -2.579 0.000) 2.579 ======================= Grid point 479 (216/256) ======================= q-point: ( 0.10 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( 7.954 6.119 -2.546) 10.353 1.098 ( 23.636 9.915 -0.041) 25.631 1.490 ( 18.569 41.098 -0.512) 45.101 2.220 ( 25.755 -0.858 1.328) 25.803 2.708 ( 17.807 -3.772 -1.230) 18.244 2.983 ( -2.671 27.399 0.049) 27.529 3.159 ( 14.291 -13.099 0.539) 19.394 4.001 ( -2.418 -3.584 1.037) 4.446 4.423 ( 7.685 18.377 0.236) 19.920 4.515 ( 7.046 30.563 0.097) 31.365 6.583 ( -1.559 11.596 -0.153) 11.702 6.598 ( -1.809 11.952 0.044) 12.088 7.289 ( 3.317 2.715 0.320) 4.299 7.504 ( -2.163 19.075 -0.703) 19.210 7.802 ( -3.574 34.682 1.475) 34.897 8.050 ( 4.330 -3.356 0.042) 5.479 8.164 ( -4.497 -1.225 -0.447) 4.682 8.276 ( 1.385 -2.869 0.296) 3.199 9.355 ( 5.346 -3.073 -1.029) 6.252 9.431 ( 7.217 -0.584 0.624) 7.268 9.544 ( -12.257 -1.487 -0.178) 12.348 10.456 ( -0.397 -10.378 0.316) 10.390 15.226 ( 6.694 -2.867 -0.147) 7.283 15.287 ( 8.413 -2.321 -0.210) 8.730 ======================= Grid point 480 (217/256) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 14.479 4.485 -2.570) 15.374 1.561 ( 18.763 25.511 -1.308) 31.695 2.043 ( 31.628 15.598 -0.559) 35.269 2.799 ( 28.569 -0.818 1.417) 28.616 2.903 ( -2.166 26.483 0.667) 26.580 3.157 ( 24.711 -3.529 -1.705) 25.020 3.502 ( 18.813 -12.119 0.728) 22.391 3.957 ( -1.911 -4.748 1.674) 5.385 4.618 ( 11.329 19.937 0.305) 22.933 4.697 ( 10.688 29.835 0.138) 31.692 6.542 ( -2.350 10.429 -0.229) 10.693 6.555 ( -2.474 10.588 0.062) 10.873 7.360 ( 3.178 4.106 0.469) 5.213 7.455 ( -2.328 15.595 -0.631) 15.781 7.749 ( -1.017 24.225 0.750) 24.258 8.086 ( -2.333 -3.139 0.508) 3.944 8.116 ( 0.376 -0.814 -1.041) 1.373 8.373 ( 9.306 -5.072 -0.092) 10.599 9.244 ( -17.036 -1.649 0.025) 17.116 9.416 ( 3.282 -3.371 -0.363) 4.719 9.604 ( 6.644 -1.287 0.394) 6.779 10.422 ( -3.368 -7.460 0.016) 8.186 15.412 ( 11.778 -2.004 -0.089) 11.947 15.512 ( 13.748 -2.002 -0.343) 13.897 ======================= Grid point 481 (218/256) ======================= q-point: ( 0.30 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 22.045 3.594 -3.533) 22.614 1.897 ( 15.873 25.485 -1.233) 30.050 2.543 ( 16.839 9.358 1.054) 19.294 2.797 ( -5.423 27.117 0.228) 27.655 3.372 ( 25.262 -1.347 1.401) 25.336 3.628 ( 22.066 -5.184 -1.524) 22.718 3.855 ( 15.947 -11.106 0.837) 19.451 3.953 ( 1.393 -5.657 1.426) 5.998 4.844 ( 10.921 21.754 0.257) 24.343 4.907 ( 9.963 28.737 0.094) 30.415 6.496 ( -2.160 9.045 -0.236) 9.302 6.506 ( -2.402 8.951 0.067) 9.267 7.396 ( 0.248 8.423 -0.399) 8.436 7.420 ( -0.838 11.510 0.268) 11.543 7.786 ( 4.697 13.488 0.226) 14.284 8.048 ( -1.428 -2.967 0.200) 3.299 8.098 ( -1.660 -0.104 -0.437) 1.719 8.601 ( 10.992 -4.446 -0.195) 11.859 8.913 ( -14.264 -1.394 0.031) 14.332 9.501 ( 4.656 -4.012 0.405) 6.160 9.667 ( 0.578 -1.996 -0.108) 2.081 10.319 ( -6.947 -5.607 -0.492) 8.941 15.659 ( 12.401 -1.490 0.127) 12.491 15.789 ( 13.495 -1.885 -0.441) 13.633 ======================= Grid point 482 (219/256) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 20.085 2.998 -3.346) 20.581 2.168 ( 11.412 21.590 -1.071) 24.444 2.661 ( -4.555 20.074 0.196) 20.585 2.715 ( -2.257 17.448 2.691) 17.798 3.780 ( 15.524 -2.367 0.483) 15.711 3.977 ( 12.551 -8.073 -0.705) 14.939 4.002 ( 2.708 -4.464 0.150) 5.224 4.104 ( 8.607 -9.801 0.924) 13.077 5.026 ( 7.058 23.790 0.181) 24.816 5.064 ( 5.508 27.258 -0.002) 27.809 6.461 ( -1.247 8.028 -0.187) 8.126 6.466 ( -1.546 7.783 0.079) 7.936 7.386 ( -0.452 9.726 -0.608) 9.755 7.415 ( -0.276 9.928 0.454) 9.942 7.923 ( 8.280 8.106 0.184) 11.589 8.038 ( 1.025 -3.198 0.277) 3.369 8.063 ( -1.544 -0.075 -0.333) 1.581 8.493 ( -15.804 -0.090 -0.070) 15.804 8.982 ( 14.838 -3.906 0.138) 15.344 9.492 ( -7.168 -3.852 -0.161) 8.140 9.739 ( 8.250 -3.056 0.681) 8.824 10.151 ( -9.754 -4.568 -0.963) 10.814 15.867 ( 7.906 -1.314 0.183) 8.017 16.007 ( 8.079 -1.820 -0.348) 8.289 ======================= Grid point 483 (220/256) ======================= q-point: ( 0.50 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -0.000 8.324 0.000) 8.324 2.291 ( 0.000 10.187 0.000) 10.187 2.578 ( -0.000 22.029 0.000) 22.029 2.663 ( -0.000 20.371 0.000) 20.371 3.971 ( 0.000 -3.438 0.000) 3.438 3.992 ( -0.000 -4.256 0.000) 4.256 4.114 ( -0.000 -8.834 0.000) 8.834 4.189 ( -0.000 -8.540 0.000) 8.540 5.104 ( -0.000 25.869 0.000) 25.869 5.114 ( -0.000 25.423 0.000) 25.423 6.448 ( -0.000 7.757 0.000) 7.757 6.449 ( 0.000 7.283 -0.000) 7.283 7.381 ( -0.000 9.381 0.000) 9.381 7.412 ( 0.000 9.892 0.000) 9.892 8.000 ( 0.000 1.632 0.000) 1.632 8.045 ( -0.000 0.314 0.000) 0.314 8.178 ( 0.000 1.634 0.000) 1.634 8.207 ( -0.000 0.307 0.000) 0.307 9.265 ( -0.000 -3.503 0.000) 3.503 9.285 ( 0.000 -3.978 0.000) 3.978 9.920 ( -0.000 -3.712 0.000) 3.712 9.961 ( 0.000 -4.057 0.000) 4.057 15.948 ( -0.000 -1.290 0.000) 1.290 16.088 ( -0.000 -1.783 0.000) 1.783 ======================= Grid point 489 (221/256) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -0.000 24.838 0.000) 24.838 1.335 ( 0.000 16.554 0.000) 16.554 1.919 ( -0.000 -0.148 -0.000) 0.148 2.295 ( 0.000 46.547 0.000) 46.547 2.434 ( 0.000 -4.328 0.000) 4.328 2.826 ( -0.000 -3.169 0.000) 3.169 3.670 ( 0.000 36.257 0.000) 36.257 3.974 ( 0.000 -0.922 0.000) 0.922 4.798 ( -0.000 26.802 0.000) 26.802 5.116 ( 0.000 35.268 0.000) 35.268 6.866 ( 0.000 12.199 0.000) 12.199 6.894 ( 0.000 15.918 0.000) 15.918 7.326 ( -0.000 4.236 0.000) 4.236 7.871 ( 0.000 -8.159 0.000) 8.159 7.896 ( -0.000 12.463 0.000) 12.463 8.050 ( -0.000 -4.160 0.000) 4.160 8.252 ( -0.000 2.736 0.000) 2.736 8.663 ( 0.000 20.715 0.000) 20.715 9.172 ( -0.000 -4.161 0.000) 4.161 9.398 ( 0.000 4.910 0.000) 4.910 9.647 ( -0.000 -1.940 0.000) 1.940 10.160 ( 0.000 -15.830 0.000) 15.830 15.083 ( 0.000 -3.981 0.000) 3.981 15.140 ( -0.000 -3.513 0.000) 3.513 ======================= Grid point 491 (222/256) ======================= q-point: ( 0.10 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 1.528 17.784 -0.406) 17.854 1.377 ( 27.440 18.408 -0.969) 33.057 2.202 ( 24.783 -0.907 1.241) 24.831 2.382 ( 8.787 44.075 -0.102) 44.942 2.628 ( 18.394 -3.626 -0.995) 18.774 2.989 ( 14.996 -3.108 0.446) 15.321 3.641 ( -2.716 36.308 -0.444) 36.412 3.941 ( -3.089 -1.055 0.824) 3.367 4.887 ( 8.518 26.968 0.140) 28.282 5.181 ( 6.309 34.852 0.165) 35.419 6.844 ( -2.112 12.208 0.091) 12.389 6.864 ( -2.837 15.018 -0.232) 15.285 7.368 ( 3.911 4.660 0.212) 6.088 7.846 ( -3.225 8.765 -1.245) 9.422 7.961 ( 7.029 -2.622 0.386) 7.512 8.043 ( -0.451 -4.195 -0.232) 4.226 8.229 ( -1.975 1.143 -1.235) 2.595 8.467 ( -14.555 19.524 2.397) 24.470 9.275 ( 4.960 -4.637 -0.809) 6.837 9.457 ( 6.038 4.242 1.238) 7.482 9.500 ( -12.612 -2.773 -0.341) 12.918 10.208 ( 3.066 -13.362 0.257) 13.712 15.159 ( 7.551 -3.573 -0.133) 8.355 15.228 ( 8.699 -3.411 -0.059) 9.343 ======================= Grid point 492 (223/256) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 12.893 17.634 -1.177) 21.876 1.946 ( 27.206 15.669 -1.100) 31.415 2.622 ( 14.850 36.778 0.359) 39.664 2.766 ( 29.388 -1.825 1.552) 29.486 3.073 ( 25.015 -2.996 -1.353) 25.230 3.344 ( 19.320 -2.894 0.643) 19.546 3.574 ( -3.542 36.251 -0.517) 36.427 3.878 ( -2.943 -1.567 1.112) 3.515 5.103 ( 12.661 27.573 0.203) 30.341 5.344 ( 9.530 33.844 0.204) 35.161 6.788 ( -3.492 12.351 0.309) 12.839 6.793 ( -4.030 12.921 -0.500) 13.545 7.464 ( 5.302 5.829 0.472) 7.894 7.761 ( -4.579 11.221 -1.214) 12.180 8.003 ( -2.298 -4.678 0.163) 5.214 8.131 ( 1.518 5.598 -1.251) 5.934 8.191 ( 0.608 4.787 -2.264) 5.330 8.257 ( -1.172 3.520 3.631) 5.191 9.203 ( -16.169 -2.228 0.038) 16.322 9.336 ( 2.777 -4.089 -0.392) 4.959 9.587 ( 4.569 0.203 0.883) 4.658 10.235 ( -0.777 -10.489 0.076) 10.518 15.362 ( 12.524 -2.838 -0.060) 12.842 15.458 ( 13.889 -3.272 -0.179) 14.270 ======================= Grid point 493 (224/256) ======================= q-point: ( 0.30 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 20.142 15.202 -1.956) 25.310 2.382 ( 17.051 19.957 -0.639) 26.257 2.902 ( 11.286 26.321 1.408) 28.673 3.259 ( 15.304 4.092 0.225) 15.843 3.501 ( 10.986 17.251 -0.080) 20.453 3.568 ( 14.458 9.595 -0.453) 17.358 3.715 ( 16.402 -2.153 0.754) 16.560 3.858 ( 1.275 -1.936 0.394) 2.352 5.356 ( 12.329 28.371 0.196) 30.934 5.529 ( 8.607 32.612 0.102) 33.728 6.711 ( -3.769 11.333 -0.430) 11.951 6.719 ( -3.539 11.635 0.281) 12.165 7.559 ( 3.727 7.862 0.430) 8.711 7.678 ( -3.293 11.353 -0.778) 11.847 7.948 ( -2.328 -3.654 0.174) 4.336 8.074 ( -2.319 4.629 -1.581) 5.414 8.145 ( -1.990 9.375 0.903) 9.626 8.479 ( 13.105 -6.997 0.111) 14.856 8.898 ( -13.147 0.708 0.109) 13.166 9.404 ( 3.766 -4.949 0.343) 6.229 9.624 ( -0.332 -1.875 0.226) 1.918 10.173 ( -5.387 -8.534 -0.315) 10.097 15.619 ( 12.749 -2.347 0.078) 12.963 15.737 ( 13.545 -3.206 -0.265) 13.922 ======================= Grid point 494 (225/256) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 19.697 13.129 -2.171) 23.771 2.597 ( 3.738 18.663 0.127) 19.034 3.044 ( 4.191 24.453 2.149) 24.902 3.289 ( -4.761 28.451 -0.793) 28.858 3.768 ( 13.092 4.350 1.019) 13.833 3.877 ( 11.390 -0.969 -0.520) 11.443 3.921 ( 4.149 -1.660 -0.485) 4.495 3.978 ( 9.349 -3.040 0.544) 9.846 5.566 ( 8.487 29.194 0.178) 30.403 5.659 ( 4.063 31.346 -0.050) 31.609 6.650 ( -2.217 10.071 -0.352) 10.318 6.661 ( -2.260 10.919 0.279) 11.154 7.598 ( 0.266 10.274 -0.326) 10.283 7.637 ( -0.796 10.813 0.087) 10.843 7.941 ( 1.263 -5.800 0.855) 5.997 8.029 ( -2.255 -1.458 -1.055) 2.885 8.152 ( 3.281 10.237 -0.166) 10.751 8.499 ( -10.954 0.162 0.124) 10.956 8.907 ( 13.556 -1.760 0.211) 13.672 9.402 ( -6.302 -4.287 0.158) 7.624 9.662 ( 6.320 -4.293 0.483) 7.655 10.030 ( -8.792 -7.227 -0.725) 11.404 15.831 ( 7.980 -2.187 0.109) 8.275 15.956 ( 8.143 -3.124 -0.213) 8.725 ======================= Grid point 495 (226/256) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -0.000 13.514 0.000) 13.514 2.523 ( -0.000 13.219 0.000) 13.219 3.121 ( 0.000 28.948 0.000) 28.948 3.200 ( -0.000 29.496 0.000) 29.496 3.927 ( -0.000 1.286 0.000) 1.286 3.935 ( -0.000 1.165 0.000) 1.165 4.001 ( -0.000 -2.434 0.000) 2.434 4.072 ( -0.000 -3.299 0.000) 3.299 5.675 ( -0.000 30.299 0.000) 30.299 5.677 ( 0.000 30.031 0.000) 30.031 6.627 ( -0.000 9.768 0.000) 9.768 6.638 ( -0.000 10.436 0.000) 10.436 7.595 ( -0.000 10.796 0.000) 10.796 7.631 ( -0.000 10.734 0.000) 10.734 7.978 ( 0.000 -4.235 0.000) 4.235 7.985 ( -0.000 -5.574 -0.000) 5.574 8.275 ( 0.000 5.826 0.000) 5.826 8.287 ( -0.000 7.569 0.000) 7.569 9.191 ( -0.000 -2.802 -0.000) 2.802 9.195 ( 0.000 -3.868 0.000) 3.868 9.822 ( -0.000 -5.792 0.000) 5.792 9.853 ( 0.000 -6.410 0.000) 6.410 15.912 ( -0.000 -2.178 0.000) 2.178 16.038 ( -0.000 -3.068 0.000) 3.068 ======================= Grid point 501 (227/256) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -0.000 27.919 0.000) 27.919 1.717 ( 0.000 20.687 0.000) 20.687 1.916 ( -0.000 -0.273 -0.000) 0.273 2.360 ( 0.000 -2.715 0.000) 2.715 2.886 ( 0.000 8.660 0.000) 8.660 3.059 ( 0.000 26.841 0.000) 26.841 4.078 ( 0.000 14.304 0.000) 14.304 4.374 ( 0.000 33.201 0.000) 33.201 5.360 ( -0.000 29.014 0.000) 29.014 5.795 ( 0.000 32.441 0.000) 32.441 7.067 ( -0.000 7.153 0.000) 7.153 7.160 ( 0.000 9.615 0.000) 9.615 7.401 ( -0.000 2.702 0.000) 2.702 7.679 ( 0.000 -10.966 -0.000) 10.966 7.961 ( -0.000 -3.171 0.000) 3.171 7.988 ( -0.000 0.253 0.000) 0.253 8.413 ( -0.000 10.723 0.000) 10.723 8.802 ( 0.000 -2.177 0.000) 2.177 9.092 ( 0.000 -3.508 0.000) 3.508 9.570 ( 0.000 8.944 0.000) 8.944 9.599 ( -0.000 -2.868 0.000) 2.868 9.868 ( 0.000 -12.904 0.000) 12.904 15.009 ( 0.000 -3.330 0.000) 3.330 15.068 ( -0.000 -3.644 0.000) 3.644 ======================= Grid point 503 (228/256) ======================= q-point: ( 0.10 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 3.652 22.228 0.081) 22.526 1.811 ( 20.011 24.321 -1.029) 31.512 2.182 ( 23.558 -1.130 1.246) 23.618 2.559 ( 19.032 -2.477 -1.155) 19.227 3.038 ( 13.972 7.770 -0.046) 15.987 3.112 ( 5.077 24.581 1.294) 25.134 4.050 ( -2.384 15.468 -0.152) 15.651 4.350 ( -2.266 33.455 -0.309) 33.533 5.449 ( 8.609 28.887 -0.044) 30.143 5.853 ( 5.566 32.089 0.239) 32.569 7.048 ( -1.910 7.405 0.074) 7.648 7.114 ( -4.211 9.034 -0.072) 9.967 7.449 ( 4.568 2.881 -0.033) 5.400 7.747 ( 5.951 -10.193 -0.864) 11.834 7.952 ( -0.909 -2.549 0.272) 2.720 7.987 ( 0.281 -0.630 0.140) 0.704 8.380 ( -3.042 10.793 -0.664) 11.233 8.635 ( -12.455 0.106 0.486) 12.464 9.186 ( 5.636 -3.971 -0.439) 6.909 9.434 ( -12.655 -3.285 -0.118) 13.075 9.590 ( 1.753 7.024 0.977) 7.305 9.962 ( 5.709 -10.861 0.225) 12.272 15.091 ( 8.066 -3.138 -0.131) 8.656 15.157 ( 8.737 -3.658 0.069) 9.472 ======================= Grid point 504 (229/256) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 11.205 22.890 -0.466) 25.490 2.287 ( 25.817 19.121 -1.078) 32.145 2.727 ( 28.941 -1.756 1.609) 29.039 3.019 ( 25.709 -1.825 -1.551) 25.820 3.230 ( 6.581 17.858 1.468) 19.089 3.381 ( 18.565 6.416 0.883) 19.662 4.010 ( -0.791 19.172 -0.354) 19.192 4.292 ( -3.248 34.197 -0.559) 34.356 5.669 ( 12.874 28.575 -0.059) 31.341 5.997 ( 8.445 31.253 0.312) 32.375 6.997 ( -3.208 8.077 -0.055) 8.691 7.014 ( -5.477 8.408 0.036) 10.035 7.560 ( 6.192 3.153 0.131) 6.950 7.829 ( 1.007 -3.192 -1.312) 3.595 7.933 ( -1.096 -1.555 0.153) 1.909 8.035 ( 4.479 -7.814 0.013) 9.006 8.318 ( -1.531 10.162 -0.736) 10.303 8.407 ( -9.820 1.301 0.685) 9.930 9.176 ( -12.617 0.277 -0.059) 12.621 9.267 ( 3.051 -2.891 -0.308) 4.214 9.626 ( 0.909 3.337 1.084) 3.625 10.032 ( 1.032 -9.529 0.118) 9.586 15.306 ( 13.041 -2.766 -0.129) 13.332 15.388 ( 13.880 -3.696 0.048) 14.363 ======================= Grid point 505 (230/256) ======================= q-point: ( 0.30 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 16.887 20.274 -0.984) 26.404 2.740 ( 18.515 17.876 -0.531) 25.741 3.247 ( 21.589 -1.192 1.120) 21.651 3.319 ( 4.511 7.999 1.765) 9.352 3.516 ( 21.645 0.864 -0.971) 21.684 3.729 ( 15.552 4.916 0.783) 16.329 4.040 ( 4.076 23.636 -0.551) 23.991 4.232 ( -2.338 34.783 -0.585) 34.867 5.925 ( 12.502 28.052 -0.050) 30.712 6.161 ( 7.426 30.217 0.212) 31.116 6.906 ( -4.758 7.869 -0.739) 9.225 6.932 ( -3.634 9.093 0.779) 9.823 7.673 ( 4.871 2.438 0.308) 5.456 7.812 ( -1.295 2.634 -0.588) 2.993 7.903 ( -2.084 1.304 0.047) 2.458 8.046 ( -3.601 -6.915 -1.352) 7.913 8.278 ( -3.126 0.456 0.402) 3.185 8.389 ( 7.140 -1.211 0.094) 7.242 8.974 ( -6.578 7.285 -0.000) 9.816 9.327 ( 3.291 -2.782 0.200) 4.314 9.615 ( -2.150 1.293 0.587) 2.576 10.001 ( -4.066 -8.426 -0.137) 9.357 15.570 ( 12.999 -2.509 -0.068) 13.240 15.667 ( 13.555 -3.711 0.001) 14.054 ======================= Grid point 506 (231/256) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( 17.227 16.814 -1.304) 24.108 2.931 ( -0.178 15.823 0.623) 15.836 3.416 ( 7.154 8.667 1.439) 11.330 3.554 ( 7.787 2.399 0.300) 8.153 3.854 ( 12.130 1.362 -1.152) 12.261 3.969 ( 8.287 3.870 0.802) 9.181 4.141 ( 5.186 24.634 -0.360) 25.177 4.212 ( 0.390 31.672 -0.262) 31.676 6.139 ( 8.832 27.456 -0.034) 28.842 6.266 ( 2.782 28.892 0.076) 29.026 6.833 ( -2.212 8.164 -0.674) 8.485 6.868 ( -2.844 9.612 0.753) 10.053 7.748 ( 2.571 2.076 0.002) 3.304 7.799 ( 0.241 4.810 0.402) 4.833 7.858 ( -2.047 1.281 -0.006) 2.415 7.951 ( -4.893 -6.151 -1.146) 7.943 8.278 ( 2.572 0.652 -0.144) 2.657 8.451 ( -2.190 -4.903 0.171) 5.373 8.987 ( 7.996 9.469 0.023) 12.393 9.355 ( -3.082 -0.364 0.433) 3.133 9.591 ( 2.237 -2.078 0.339) 3.072 9.881 ( -7.692 -7.351 -0.426) 10.649 15.784 ( 8.015 -2.449 -0.021) 8.380 15.888 ( 8.206 -3.656 -0.018) 8.983 ======================= Grid point 507 (232/256) ======================= q-point: ( 0.50 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.776 ( 0.000 14.901 0.000) 14.901 2.802 ( -0.000 14.048 0.000) 14.048 3.535 ( -0.000 10.391 0.000) 10.391 3.591 ( -0.000 7.668 0.000) 7.668 3.972 ( -0.000 2.615 0.000) 2.615 4.054 ( -0.000 2.482 0.000) 2.482 4.203 ( 0.000 24.592 0.000) 24.592 4.219 ( -0.000 27.392 0.000) 27.392 6.261 ( -0.000 27.572 0.000) 27.572 6.261 ( 0.000 27.582 -0.000) 27.582 6.814 ( -0.000 9.031 0.000) 9.031 6.836 ( 0.000 9.420 0.000) 9.420 7.772 ( -0.000 5.932 0.000) 5.932 7.805 ( 0.000 6.447 0.000) 6.447 7.860 ( 0.000 -6.184 0.000) 6.184 7.871 ( -0.000 -4.912 -0.000) 4.912 8.346 ( -0.000 -0.224 0.000) 0.224 8.376 ( -0.000 -0.327 0.000) 0.327 9.190 ( -0.000 4.076 0.000) 4.076 9.205 ( 0.000 4.700 0.000) 4.700 9.706 ( 0.000 -5.496 0.000) 5.496 9.724 ( -0.000 -6.186 0.000) 6.186 15.865 ( -0.000 -2.462 0.000) 2.462 15.971 ( -0.000 -3.611 0.000) 3.611 ======================= Grid point 513 (233/256) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( 0.000 -0.348 0.000) 0.348 2.026 ( 0.000 12.236 0.000) 12.236 2.157 ( -0.000 21.935 0.000) 21.935 2.391 ( 0.000 10.923 0.000) 10.923 3.129 ( 0.000 14.543 0.000) 14.543 3.333 ( 0.000 4.365 0.000) 4.365 4.530 ( 0.000 26.387 0.000) 26.387 4.936 ( 0.000 22.372 0.000) 22.372 5.919 ( -0.000 26.777 0.000) 26.777 6.375 ( 0.000 25.303 0.000) 25.303 7.142 ( 0.000 1.492 0.000) 1.492 7.277 ( 0.000 3.479 0.000) 3.479 7.415 ( -0.000 -1.448 0.000) 1.448 7.450 ( 0.000 -11.578 -0.000) 11.578 7.960 ( -0.000 2.850 0.000) 2.850 7.991 ( -0.000 0.383 0.000) 0.383 8.594 ( 0.000 6.670 0.000) 6.670 8.709 ( 0.000 -5.778 0.000) 5.778 9.050 ( 0.000 -0.482 0.000) 0.482 9.532 ( -0.000 -3.842 0.000) 3.842 9.671 ( 0.000 -6.657 0.000) 6.657 9.683 ( 0.000 2.326 0.000) 2.326 14.951 ( 0.000 -2.522 0.000) 2.522 14.998 ( -0.000 -3.283 0.000) 3.283 ======================= Grid point 515 (234/256) ======================= q-point: ( 0.10 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 8.663 12.316 0.090) 15.058 2.158 ( 21.228 5.372 -0.506) 21.903 2.277 ( 15.236 17.647 0.365) 23.317 2.573 ( 17.709 8.153 -0.533) 19.503 3.255 ( 11.809 13.050 -0.020) 17.600 3.353 ( 1.909 3.761 1.051) 4.347 4.526 ( -0.043 27.202 0.071) 27.202 4.919 ( -1.564 22.733 -0.592) 22.794 6.003 ( 8.018 26.205 -0.232) 27.405 6.426 ( 4.953 25.000 0.292) 25.488 7.130 ( -1.142 1.942 0.183) 2.260 7.226 ( -4.166 3.545 0.050) 5.470 7.467 ( 5.033 -1.197 -0.217) 5.178 7.525 ( 6.319 -11.444 -0.503) 13.082 7.952 ( -0.692 2.458 0.346) 2.577 7.986 ( -0.446 0.687 -0.128) 0.829 8.545 ( -5.389 3.947 1.031) 6.759 8.584 ( -9.416 -2.712 -1.165) 9.868 9.131 ( 5.703 -1.350 -0.088) 5.861 9.388 ( -9.257 -1.036 -0.181) 9.316 9.684 ( 0.063 2.060 0.499) 2.121 9.785 ( 6.272 -7.136 0.158) 9.502 15.036 ( 8.305 -2.442 -0.198) 8.659 15.087 ( 8.659 -3.325 0.204) 9.277 ======================= Grid point 516 (235/256) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 9.888 18.820 -0.365) 21.263 2.658 ( 25.207 12.916 -2.224) 28.411 2.724 ( 27.558 4.944 2.635) 28.121 3.005 ( 23.322 2.485 -1.203) 23.485 3.392 ( 3.436 3.121 1.506) 4.879 3.561 ( 16.778 11.059 0.389) 20.099 4.545 ( 2.181 28.563 0.150) 28.646 4.880 ( -1.953 23.838 -0.979) 23.938 6.204 ( 11.714 24.554 -0.359) 27.207 6.554 ( 7.417 24.097 0.416) 25.216 7.102 ( -1.717 3.405 0.166) 3.817 7.134 ( -4.928 5.041 0.184) 7.052 7.590 ( 6.675 0.056 -0.283) 6.681 7.658 ( 6.549 -11.916 -0.867) 13.625 7.941 ( -0.331 1.634 0.460) 1.730 7.976 ( -0.451 0.597 -0.100) 0.755 8.362 ( -10.437 -3.562 0.307) 11.032 8.446 ( -5.541 2.352 -0.423) 6.034 9.223 ( 2.961 -0.757 -0.087) 3.057 9.230 ( -5.543 4.206 -0.170) 6.960 9.684 ( -0.429 1.802 0.665) 1.968 9.866 ( 1.699 -7.211 0.106) 7.409 15.255 ( 13.297 -2.285 -0.281) 13.495 15.316 ( 13.782 -3.410 0.295) 14.201 ======================= Grid point 517 (236/256) ======================= q-point: ( 0.30 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 13.332 16.615 -0.530) 21.309 3.104 ( 18.454 17.996 -0.873) 25.791 3.246 ( 22.551 2.189 1.587) 22.712 3.293 ( 5.942 -5.266 -0.348) 7.948 3.602 ( 18.426 6.580 0.634) 19.576 3.880 ( 14.392 9.749 0.287) 17.385 4.613 ( 4.468 28.652 0.262) 29.000 4.844 ( -1.377 25.460 -1.057) 25.519 6.430 ( 10.613 21.623 -0.376) 24.090 6.691 ( 5.506 21.864 0.343) 22.549 7.040 ( -3.496 7.255 -0.651) 8.080 7.075 ( -1.553 6.379 1.136) 6.662 7.692 ( 3.227 0.985 -0.447) 3.403 7.754 ( 3.118 -10.078 -0.513) 10.562 7.921 ( -2.575 -0.433 -0.047) 2.612 7.987 ( 1.502 3.823 -0.020) 4.107 8.192 ( -5.702 -6.774 0.064) 8.855 8.375 ( -1.409 -1.138 -0.020) 1.811 9.156 ( -0.904 9.543 -0.141) 9.587 9.286 ( 3.121 -1.394 0.100) 3.419 9.659 ( -2.416 2.339 0.521) 3.402 9.850 ( -3.204 -6.667 -0.004) 7.397 15.523 ( 13.119 -2.181 -0.258) 13.301 15.595 ( 13.518 -3.467 0.275) 13.958 ======================= Grid point 518 (237/256) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.797 ( 13.390 12.800 -0.688) 18.537 3.188 ( -5.072 7.660 0.712) 9.215 3.513 ( 13.277 6.140 -0.701) 14.645 3.597 ( 11.234 3.717 1.102) 11.884 3.936 ( 13.293 6.789 -0.236) 14.928 4.095 ( 6.854 8.681 0.279) 11.064 4.703 ( 4.052 27.429 0.364) 27.729 4.821 ( -0.821 26.832 -0.824) 26.857 6.601 ( 6.710 17.396 -0.307) 18.648 6.742 ( -0.488 16.347 0.189) 16.356 7.010 ( 0.466 12.127 -0.566) 12.149 7.056 ( -0.668 10.823 1.016) 10.892 7.723 ( 0.646 -1.072 -0.200) 1.268 7.777 ( -0.693 -8.875 -0.365) 8.909 7.872 ( -1.034 1.862 -0.074) 2.132 7.960 ( -3.769 4.690 -0.119) 6.018 8.196 ( 4.784 -6.754 0.096) 8.277 8.358 ( -1.430 -3.465 -0.050) 3.749 9.199 ( 4.994 9.920 -0.128) 11.107 9.349 ( 2.373 -1.006 0.272) 2.592 9.600 ( -2.685 2.478 0.303) 3.666 9.751 ( -6.426 -5.558 -0.134) 8.497 15.737 ( 8.020 -2.163 -0.155) 8.308 15.816 ( 8.229 -3.470 0.166) 8.932 ======================= Grid point 519 (238/256) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 0.000 9.728 -0.000) 9.728 3.034 ( -0.000 8.231 0.000) 8.231 3.665 ( -0.000 6.147 0.000) 6.147 3.694 ( 0.000 6.018 -0.000) 6.018 4.080 ( -0.000 8.120 0.000) 8.120 4.152 ( -0.000 7.393 0.000) 7.393 4.751 ( 0.000 26.322 0.000) 26.322 4.808 ( -0.000 27.585 0.000) 27.585 6.695 ( -0.000 13.826 0.000) 13.826 6.701 ( 0.000 14.775 0.000) 14.775 7.021 ( -0.000 13.564 0.000) 13.564 7.051 ( -0.000 14.258 0.000) 14.258 7.731 ( -0.000 -5.230 0.000) 5.230 7.756 ( -0.000 -4.228 -0.000) 4.228 7.885 ( -0.000 1.549 0.000) 1.549 7.899 ( 0.000 3.244 0.000) 3.244 8.289 ( -0.000 -3.642 0.000) 3.642 8.306 ( 0.000 -4.292 0.000) 4.292 9.307 ( 0.000 5.473 0.000) 5.473 9.328 ( -0.000 5.589 0.000) 5.589 9.622 ( 0.000 -2.520 0.000) 2.520 9.627 ( -0.000 -3.036 0.000) 3.036 15.819 ( -0.000 -2.171 0.000) 2.171 15.900 ( -0.000 -3.459 0.000) 3.459 ======================= Grid point 525 (239/256) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( -0.000 0.386 0.000) 0.386 2.087 ( 0.000 -1.929 0.000) 1.929 2.512 ( 0.000 16.206 0.000) 16.206 2.819 ( 0.000 25.111 0.000) 25.111 3.340 ( 0.000 -1.831 0.000) 1.831 3.415 ( 0.000 12.313 0.000) 12.313 4.960 ( 0.000 15.159 0.000) 15.159 5.235 ( 0.000 7.766 0.000) 7.766 6.398 ( 0.000 20.886 0.000) 20.886 6.768 ( 0.000 13.280 0.000) 13.280 7.194 ( 0.000 3.473 0.000) 3.473 7.261 ( 0.000 -4.555 0.000) 4.555 7.321 ( -0.000 -2.512 0.000) 2.512 7.381 ( 0.000 2.698 0.000) 2.698 8.003 ( -0.000 0.947 0.000) 0.947 8.041 ( -0.000 4.524 0.000) 4.524 8.601 ( 0.000 -4.797 0.000) 4.797 8.664 ( -0.000 0.504 0.000) 0.504 9.075 ( 0.000 2.891 0.000) 2.891 9.448 ( -0.000 -4.592 0.000) 4.592 9.594 ( 0.000 -1.838 0.000) 1.838 9.679 ( -0.000 -2.152 0.000) 2.152 14.910 ( 0.000 -1.676 0.000) 1.676 14.940 ( 0.000 -2.519 0.000) 2.519 ======================= Grid point 527 (240/256) ======================= q-point: ( 0.10 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.139 ( 20.512 -0.207 0.134) 20.514 2.301 ( 19.924 -0.879 -1.100) 19.974 2.579 ( 7.373 16.267 0.640) 17.872 2.949 ( 12.485 23.339 -0.196) 26.469 3.358 ( 1.810 -1.538 0.480) 2.423 3.523 ( 10.430 11.931 0.029) 15.847 4.967 ( 0.803 15.509 0.437) 15.536 5.224 ( -0.894 8.060 -0.492) 8.124 6.462 ( 6.103 19.524 -0.406) 20.460 6.812 ( 4.117 12.750 0.277) 13.401 7.194 ( -0.084 5.232 0.005) 5.233 7.280 ( 1.650 -1.039 -0.058) 1.951 7.360 ( 1.962 -0.489 0.280) 2.041 7.411 ( 5.077 -3.063 -0.286) 5.937 8.000 ( -0.399 1.412 0.309) 1.499 8.030 ( -1.085 3.941 -0.151) 4.091 8.498 ( -8.684 -3.320 0.084) 9.297 8.595 ( -6.690 -0.737 -0.200) 6.734 9.137 ( 4.859 1.946 0.077) 5.235 9.382 ( -4.107 -0.272 -0.117) 4.117 9.670 ( 4.598 -4.101 -0.107) 6.162 9.682 ( 0.666 -2.281 0.315) 2.397 14.995 ( 8.409 -1.640 -0.247) 8.570 15.028 ( 8.576 -2.554 0.288) 8.953 ======================= Grid point 528 (241/256) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.525 ( 14.964 4.160 -0.388) 15.536 2.769 ( 25.877 0.429 -1.768) 25.940 2.869 ( 22.203 10.254 1.610) 24.510 3.239 ( 13.393 16.361 -0.363) 21.147 3.446 ( 9.700 4.096 0.897) 10.568 3.789 ( 15.491 10.820 0.030) 18.896 5.000 ( 2.497 15.941 0.691) 16.151 5.206 ( -0.561 8.990 -0.804) 9.043 6.608 ( 7.942 15.638 -0.627) 17.551 6.911 ( 5.059 10.769 0.367) 11.904 7.198 ( 0.680 6.886 0.182) 6.921 7.282 ( -1.062 10.873 0.336) 10.930 7.431 ( 5.120 -9.380 -0.642) 10.706 7.563 ( 9.324 -2.324 0.085) 9.610 7.982 ( -1.581 2.334 0.437) 2.852 8.005 ( -1.249 2.058 -0.193) 2.415 8.311 ( -9.707 -1.542 -0.099) 9.829 8.442 ( -7.430 -1.929 -0.021) 7.677 9.222 ( 3.307 1.032 0.071) 3.465 9.320 ( -2.014 3.474 -0.163) 4.019 9.687 ( 0.305 -1.339 0.264) 1.399 9.744 ( 1.855 -5.157 0.056) 5.481 15.217 ( 13.411 -1.565 -0.370) 13.507 15.256 ( 13.678 -2.635 0.437) 13.936 ======================= Grid point 529 (242/256) ======================= q-point: ( 0.30 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.768 ( 11.267 7.490 -0.313) 13.533 3.166 ( 10.554 -5.978 -1.141) 12.183 3.342 ( 22.618 8.086 0.975) 24.039 3.444 ( 12.927 12.665 0.191) 18.098 3.775 ( 19.472 11.392 0.301) 22.562 4.087 ( 13.679 10.195 0.020) 17.060 5.064 ( 3.572 15.631 0.711) 16.050 5.202 ( 0.421 10.504 -0.844) 10.546 6.742 ( 5.390 10.293 -0.580) 11.633 6.972 ( 0.273 7.579 0.222) 7.587 7.224 ( 2.015 9.346 0.006) 9.560 7.283 ( 1.564 14.064 0.773) 14.171 7.524 ( 4.101 -9.147 -0.850) 10.060 7.732 ( 5.984 1.608 0.081) 6.197 7.948 ( -2.052 1.646 0.163) 2.636 7.990 ( 1.102 -1.519 0.155) 1.883 8.135 ( -7.475 1.131 -0.190) 7.562 8.345 ( -2.290 -1.723 0.040) 2.866 9.272 ( 2.171 -0.040 0.043) 2.172 9.304 ( 0.456 4.783 -0.139) 4.807 9.684 ( -0.995 -0.076 0.270) 1.034 9.739 ( -2.272 -4.495 0.068) 5.037 15.486 ( 13.179 -1.501 -0.348) 13.269 15.533 ( 13.447 -2.720 0.415) 13.725 ======================= Grid point 530 (243/256) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( 9.604 5.538 -0.207) 11.089 3.220 ( -1.812 -2.032 -0.152) 2.727 3.693 ( 12.434 9.169 -0.233) 15.452 3.728 ( 12.011 9.070 0.535) 15.060 4.115 ( 13.853 10.916 0.066) 17.637 4.290 ( 6.260 10.159 0.014) 11.933 5.129 ( 2.551 14.513 0.486) 14.744 5.214 ( 0.776 12.285 -0.578) 12.323 6.817 ( 2.704 6.623 -0.355) 7.163 6.934 ( -3.157 6.537 0.144) 7.261 7.269 ( 2.019 9.731 -0.070) 9.938 7.328 ( 2.034 12.436 0.624) 12.617 7.593 ( 3.584 -5.027 -0.752) 6.220 7.754 ( -2.727 2.708 0.201) 3.848 7.912 ( -1.174 1.956 -0.040) 2.282 7.983 ( -3.396 -0.773 -0.045) 3.483 8.128 ( 6.894 0.729 0.353) 6.942 8.319 ( -1.424 -0.847 -0.190) 1.668 9.319 ( 2.607 -0.810 0.037) 2.730 9.338 ( 2.690 2.855 -0.137) 3.925 9.646 ( -2.642 1.375 0.198) 2.985 9.668 ( -4.309 -2.686 0.072) 5.078 15.701 ( 8.034 -1.463 -0.208) 8.169 15.753 ( 8.201 -2.783 0.249) 8.664 ======================= Grid point 531 (244/256) ======================= q-point: ( 0.50 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.124 ( 0.000 1.752 0.000) 1.752 3.147 ( -0.000 2.499 0.000) 2.499 3.818 ( -0.000 8.654 0.000) 8.654 3.850 ( -0.000 8.676 0.000) 8.676 4.276 ( -0.000 10.985 0.000) 10.985 4.332 ( -0.000 10.043 0.000) 10.043 5.156 ( -0.000 13.706 0.000) 13.706 5.222 ( -0.000 13.272 0.000) 13.272 6.853 ( -0.000 5.342 0.000) 5.342 6.887 ( -0.000 6.679 0.000) 6.679 7.290 ( 0.000 8.805 0.000) 8.805 7.349 ( -0.000 11.067 0.000) 11.067 7.660 ( -0.000 0.260 0.000) 0.260 7.687 ( 0.000 -1.124 0.000) 1.124 7.902 ( 0.000 1.575 0.000) 1.575 7.947 ( -0.000 2.336 0.000) 2.336 8.251 ( -0.000 -0.146 0.000) 0.146 8.264 ( 0.000 -0.104 0.000) 0.104 9.355 ( 0.000 -0.422 0.000) 0.422 9.375 ( -0.000 -0.560 0.000) 0.560 9.610 ( 0.000 0.634 0.000) 0.634 9.613 ( -0.000 0.905 0.000) 0.905 15.782 ( -0.000 -1.451 0.000) 1.451 15.837 ( -0.000 -2.806 0.000) 2.806 ======================= Grid point 537 (245/256) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -0.000 1.589 0.000) 1.589 2.030 ( 0.000 -3.205 0.000) 3.205 2.815 ( 0.000 14.204 0.000) 14.204 3.251 ( -0.000 -6.859 0.000) 6.859 3.270 ( 0.000 19.231 0.000) 19.231 3.590 ( 0.000 4.048 0.000) 4.048 5.143 ( 0.000 5.006 0.000) 5.006 5.280 ( 0.000 -1.696 0.000) 1.696 6.720 ( -0.000 10.787 0.000) 10.787 6.871 ( 0.000 -0.979 0.000) 0.979 7.205 ( -0.000 1.945 0.000) 1.945 7.239 ( 0.000 -3.035 0.000) 3.035 7.376 ( -0.000 8.690 0.000) 8.690 7.478 ( 0.000 4.225 0.000) 4.225 8.043 ( 0.000 3.272 0.000) 3.272 8.116 ( 0.000 2.470 0.000) 2.470 8.531 ( -0.000 -1.785 0.000) 1.785 8.629 ( 0.000 -3.574 0.000) 3.574 9.153 ( 0.000 4.658 0.000) 4.658 9.352 ( -0.000 -5.012 0.000) 5.012 9.574 ( 0.000 -0.449 0.000) 0.449 9.622 ( -0.000 -2.990 0.000) 2.990 14.886 ( 0.000 -0.721 0.000) 0.721 14.900 ( 0.000 -1.489 0.000) 1.489 ======================= Grid point 539 (246/256) ======================= q-point: ( 0.10 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( 20.035 1.326 -0.096) 20.079 2.251 ( 20.415 -3.183 -0.809) 20.678 2.881 ( 6.921 13.840 0.546) 15.483 3.273 ( 2.826 -3.920 0.265) 4.840 3.389 ( 11.137 16.652 -0.243) 20.034 3.691 ( 9.824 3.937 -0.087) 10.584 5.153 ( 1.008 4.897 0.478) 5.023 5.276 ( -0.327 -1.336 -0.106) 1.380 6.759 ( 3.645 9.983 -0.380) 10.634 6.909 ( 3.504 -1.037 0.116) 3.656 7.241 ( 2.998 0.881 -0.210) 3.132 7.263 ( 2.411 -1.520 -0.312) 2.867 7.424 ( 5.046 7.386 0.748) 8.976 7.483 ( 0.696 5.878 0.122) 5.921 8.041 ( -0.254 2.965 0.081) 2.977 8.100 ( -1.559 2.597 -0.089) 3.030 8.449 ( -7.274 -1.319 -0.110) 7.393 8.547 ( -7.479 -3.704 0.010) 8.346 9.198 ( 3.625 3.898 0.096) 5.324 9.353 ( -0.024 -2.765 -0.009) 2.765 9.607 ( 2.928 -2.020 -0.101) 3.559 9.628 ( 0.655 -2.737 0.051) 2.815 14.972 ( 8.454 -0.694 -0.172) 8.484 14.987 ( 8.521 -1.520 0.231) 8.659 ======================= Grid point 540 (247/256) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 19.568 2.174 -0.374) 19.692 2.710 ( 23.227 -4.179 -1.250) 23.633 3.112 ( 16.965 11.508 1.027) 20.526 3.373 ( 7.793 -0.880 0.409) 7.853 3.679 ( 17.467 15.460 -0.293) 23.328 3.946 ( 15.106 3.884 -0.152) 15.598 5.188 ( 2.385 4.542 0.700) 5.178 5.275 ( 0.485 -0.413 -0.115) 0.647 6.838 ( 3.984 8.072 -0.602) 9.022 6.989 ( 3.994 -1.188 0.167) 4.170 7.286 ( 1.891 0.717 -0.233) 2.036 7.325 ( 2.761 -2.075 -0.327) 3.469 7.519 ( 3.683 10.758 0.550) 11.385 7.581 ( 9.848 4.863 0.544) 10.996 8.029 ( -1.156 2.465 0.059) 2.723 8.058 ( -2.479 2.868 -0.053) 3.792 8.289 ( -8.060 -0.617 -0.196) 8.086 8.387 ( -7.309 -3.460 0.103) 8.088 9.259 ( 2.057 2.473 0.060) 3.218 9.349 ( -0.382 -0.585 -0.087) 0.704 9.648 ( 1.245 -2.023 0.068) 2.376 9.662 ( 1.956 -3.068 -0.005) 3.638 15.194 ( 13.472 -0.625 -0.253) 13.488 15.213 ( 13.594 -1.602 0.347) 13.693 ======================= Grid point 541 (248/256) ======================= q-point: ( 0.30 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 11.488 3.904 -0.316) 12.137 3.051 ( 10.734 -5.528 -0.974) 12.113 3.511 ( 20.741 7.731 0.802) 22.149 3.604 ( 14.957 3.958 0.256) 15.473 4.035 ( 17.769 13.040 -0.247) 22.042 4.242 ( 14.006 4.366 -0.165) 14.672 5.245 ( 2.942 4.019 0.517) 5.008 5.297 ( 1.713 0.695 0.059) 1.849 6.898 ( 2.176 6.132 -0.615) 6.536 7.042 ( 0.853 -0.606 0.202) 1.065 7.312 ( 0.546 -0.177 -0.494) 0.758 7.362 ( 1.508 -1.718 0.187) 2.293 7.615 ( 5.133 12.103 0.361) 13.151 7.775 ( 7.714 2.850 0.361) 8.232 7.994 ( -1.779 3.200 -0.092) 3.663 8.024 ( 0.020 4.045 0.207) 4.051 8.151 ( -5.457 0.273 -0.180) 5.467 8.302 ( -1.334 -3.026 0.090) 3.308 9.283 ( 0.719 1.035 -0.041) 1.261 9.343 ( -0.056 -0.468 -0.111) 0.484 9.665 ( 0.140 -1.330 0.121) 1.343 9.672 ( -0.871 -2.230 0.080) 2.395 15.465 ( 13.231 -0.541 -0.231) 13.244 15.489 ( 13.363 -1.709 0.323) 13.476 ======================= Grid point 542 (249/256) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.050 ( 7.136 2.793 -0.084) 7.663 3.164 ( 2.149 -3.122 -0.488) 3.822 3.849 ( 12.268 6.309 0.337) 13.799 3.880 ( 11.106 5.210 0.054) 12.267 4.338 ( 12.297 10.424 -0.136) 16.122 4.458 ( 7.173 5.658 -0.105) 9.136 5.295 ( 1.867 3.633 0.120) 4.086 5.335 ( 1.761 1.500 0.233) 2.325 6.929 ( 1.395 4.765 -0.489) 4.989 7.025 ( -2.099 1.555 0.267) 2.625 7.314 ( 0.129 -1.533 -0.414) 1.593 7.382 ( 0.215 -2.652 0.273) 2.675 7.705 ( 3.920 9.930 0.209) 10.678 7.820 ( -1.616 2.762 0.012) 3.200 7.974 ( -0.303 4.381 -0.112) 4.393 8.040 ( -1.819 6.062 0.039) 6.329 8.147 ( 6.513 0.519 0.412) 6.546 8.301 ( 0.050 -1.743 -0.178) 1.752 9.301 ( 1.403 -0.427 -0.095) 1.469 9.346 ( 0.228 -1.538 -0.082) 1.557 9.638 ( -2.005 -0.660 0.111) 2.114 9.650 ( -1.582 -0.659 0.110) 1.717 15.681 ( 8.063 -0.474 -0.135) 8.078 15.708 ( 8.147 -1.800 0.190) 8.346 ======================= Grid point 543 (250/256) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 224 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.140 ( 0.000 0.467 0.000) 0.467 3.163 ( -0.000 -0.246 0.000) 0.246 3.972 ( -0.000 6.114 0.000) 6.114 3.995 ( -0.000 5.204 0.000) 5.204 4.480 ( -0.000 8.520 0.000) 8.520 4.514 ( -0.000 7.175 0.000) 7.175 5.314 ( -0.000 3.594 0.000) 3.594 5.355 ( -0.000 1.690 0.000) 1.690 6.949 ( -0.000 3.938 0.000) 3.938 6.992 ( 0.000 3.132 0.000) 3.132 7.317 ( -0.000 -1.927 0.000) 1.927 7.380 ( -0.000 -3.942 0.000) 3.942 7.765 ( 0.000 6.531 0.000) 6.531 7.779 ( -0.000 6.255 0.000) 6.255 7.974 ( 0.000 5.658 0.000) 5.658 8.015 ( -0.000 4.448 0.000) 4.448 8.259 ( -0.000 0.294 0.000) 0.294 8.272 ( 0.000 0.184 0.000) 0.184 9.327 ( 0.000 -1.537 0.000) 1.537 9.342 ( -0.000 -2.062 0.000) 2.062 9.619 ( -0.000 0.075 0.000) 0.075 9.624 ( 0.000 -0.044 0.000) 0.044 15.763 ( -0.000 -0.449 0.000) 0.449 15.791 ( -0.000 -1.836 0.000) 1.836 ======================= Grid point 549 (251/256) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -0.000 -2.700 0.000) 2.700 1.970 ( 0.000 2.700 0.000) 2.700 3.070 ( 0.000 -11.277 0.000) 11.277 3.070 ( 0.000 11.277 0.000) 11.277 3.549 ( 0.000 -8.344 0.000) 8.344 3.549 ( 0.000 8.344 0.000) 8.344 5.220 ( -0.000 -3.542 0.000) 3.542 5.220 ( 0.000 3.542 0.000) 3.542 6.834 ( 0.000 -2.395 0.000) 2.395 6.834 ( 0.000 2.395 0.000) 2.395 7.224 ( 0.000 -0.309 0.000) 0.309 7.224 ( -0.000 0.309 0.000) 0.309 7.498 ( 0.000 -2.704 0.000) 2.704 7.498 ( 0.000 2.704 0.000) 2.704 8.114 ( 0.000 -2.768 0.000) 2.768 8.114 ( 0.000 2.768 0.000) 2.768 8.549 ( -0.000 -3.460 0.000) 3.460 8.549 ( 0.000 3.460 0.000) 3.460 9.251 ( 0.000 -5.096 0.000) 5.096 9.251 ( -0.000 5.096 0.000) 5.096 9.579 ( 0.000 -1.170 0.000) 1.170 9.579 ( -0.000 1.170 0.000) 1.170 14.882 ( 0.000 -0.360 0.000) 0.360 14.882 ( 0.000 0.360 0.000) 0.360 ======================= Grid point 553 (252/256) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 20.100 -2.724 -0.432) 20.289 2.190 ( 20.100 2.724 -0.432) 20.289 3.121 ( 5.311 -10.181 0.336) 11.488 3.121 ( 5.311 10.181 0.336) 11.488 3.652 ( 10.053 -8.036 -0.200) 12.871 3.652 ( 10.053 8.036 -0.200) 12.871 5.223 ( 0.435 -3.100 0.264) 3.141 5.223 ( 0.435 3.100 0.264) 3.141 6.869 ( 3.245 -2.554 -0.100) 4.131 6.869 ( 3.245 2.554 -0.100) 4.131 7.251 ( 2.373 -0.628 -0.222) 2.464 7.251 ( 2.373 0.628 -0.222) 2.464 7.531 ( 3.533 -1.745 0.456) 3.967 7.531 ( 3.533 1.745 0.456) 3.967 8.104 ( -0.971 -2.388 -0.093) 2.580 8.104 ( -0.971 2.388 -0.093) 2.580 8.468 ( -7.239 -3.315 -0.022) 7.962 8.468 ( -7.239 3.315 -0.022) 7.962 9.281 ( 2.244 -4.194 0.060) 4.757 9.281 ( 2.244 4.194 0.060) 4.757 9.592 ( 1.395 -0.576 -0.064) 1.510 9.592 ( 1.395 0.576 -0.064) 1.510 14.968 ( 8.485 -0.390 0.033) 8.494 14.968 ( 8.485 0.390 0.033) 8.494 ======================= Grid point 555 (253/256) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 21.382 -3.643 -0.731) 21.703 2.630 ( 21.382 3.643 -0.731) 21.703 3.295 ( 12.819 -6.700 0.592) 14.476 3.295 ( 12.819 6.700 0.592) 14.476 3.915 ( 15.759 -7.183 -0.319) 17.322 3.915 ( 15.759 7.183 -0.320) 17.322 5.243 ( 1.565 -2.060 0.428) 2.622 5.243 ( 1.565 2.060 0.428) 2.622 6.941 ( 3.532 -3.090 -0.207) 4.698 6.941 ( 3.532 3.090 -0.207) 4.698 7.296 ( 2.026 -0.947 -0.218) 2.247 7.296 ( 2.026 0.947 -0.218) 2.247 7.643 ( 7.277 -0.956 0.600) 7.364 7.643 ( 7.277 0.956 0.600) 7.364 8.077 ( -1.678 -1.585 -0.137) 2.312 8.077 ( -1.678 1.585 -0.137) 2.312 8.313 ( -7.427 -3.321 0.020) 8.136 8.313 ( -7.427 3.321 0.020) 8.136 9.312 ( 0.652 -2.626 -0.010) 2.706 9.312 ( 0.652 2.626 -0.010) 2.706 9.627 ( 1.837 -0.273 -0.009) 1.857 9.627 ( 1.837 0.273 -0.009) 1.857 15.193 ( 13.527 -0.474 0.051) 13.535 15.193 ( 13.527 0.474 0.051) 13.535 ======================= Grid point 557 (254/256) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 11.386 -4.540 -0.615) 12.273 2.950 ( 11.386 4.540 -0.615) 12.273 3.617 ( 17.996 -2.544 0.456) 18.181 3.617 ( 17.996 2.544 0.456) 18.181 4.231 ( 15.427 -5.699 -0.321) 16.449 4.231 ( 15.427 5.699 -0.321) 16.449 5.285 ( 2.450 -1.150 0.435) 2.742 5.285 ( 2.450 1.150 0.435) 2.742 6.990 ( 1.411 -3.529 -0.272) 3.810 6.990 ( 1.411 3.529 -0.272) 3.810 7.325 ( 0.794 -1.508 -0.050) 1.705 7.325 ( 0.794 1.508 -0.050) 1.705 7.780 ( 5.194 -3.669 0.399) 6.372 7.780 ( 5.194 3.669 0.399) 6.372 8.052 ( -0.151 -2.395 -0.061) 2.401 8.052 ( -0.151 2.395 -0.061) 2.401 8.212 ( -2.308 -5.717 0.055) 6.166 8.212 ( -2.308 5.717 0.055) 6.166 9.313 ( -0.267 -1.904 -0.089) 1.925 9.313 ( -0.267 1.904 -0.089) 1.925 9.650 ( 0.178 -0.095 0.075) 0.215 9.650 ( 0.178 0.095 0.075) 0.215 15.466 ( 13.289 -0.580 0.049) 13.302 15.466 ( 13.289 0.580 0.049) 13.302 ======================= Grid point 559 (255/256) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 4.934 -2.875 -0.304) 5.718 3.104 ( 4.934 2.875 -0.304) 5.718 3.924 ( 11.624 -0.887 0.182) 11.659 3.924 ( 11.624 0.887 0.182) 11.659 4.483 ( 9.506 -3.348 -0.198) 10.080 4.483 ( 9.506 3.348 -0.198) 10.080 5.332 ( 1.892 -0.990 0.273) 2.152 5.332 ( 1.892 0.990 0.273) 2.152 7.001 ( 0.088 -2.731 -0.189) 2.739 7.001 ( 0.088 2.731 -0.189) 2.739 7.325 ( -0.599 -2.244 0.021) 2.323 7.325 ( -0.599 2.244 0.021) 2.323 7.830 ( 0.679 -2.294 0.111) 2.395 7.830 ( 0.679 2.294 0.111) 2.395 8.064 ( 0.484 -3.943 0.082) 3.974 8.064 ( 0.484 3.943 0.082) 3.974 8.225 ( 2.788 -5.972 0.025) 6.591 8.225 ( 2.788 5.972 0.025) 6.591 9.310 ( 0.155 -1.411 -0.091) 1.423 9.310 ( 0.155 1.411 -0.091) 1.423 9.636 ( -1.271 -0.427 0.089) 1.343 9.636 ( -1.271 0.427 0.089) 1.343 15.683 ( 8.100 -0.666 0.030) 8.127 15.683 ( 8.100 0.666 0.030) 8.127 ======================= Grid point 561 (256/256) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.152 ( -0.000 -0.693 0.000) 0.693 3.152 ( -0.000 0.693 0.000) 0.693 4.042 ( -0.000 -0.637 0.000) 0.637 4.042 ( -0.000 0.637 0.000) 0.637 4.580 ( -0.000 -0.952 0.000) 0.952 4.580 ( -0.000 0.952 0.000) 0.952 5.352 ( -0.000 -1.040 0.000) 1.040 5.352 ( -0.000 1.040 0.000) 1.040 7.001 ( -0.000 -1.456 0.000) 1.456 7.001 ( -0.000 1.456 0.000) 1.456 7.316 ( -0.000 -1.884 0.000) 1.884 7.316 ( -0.000 1.884 0.000) 1.884 7.835 ( -0.000 -0.443 0.000) 0.443 7.835 ( -0.000 0.443 0.000) 0.443 8.067 ( -0.000 -1.312 0.000) 1.312 8.067 ( -0.000 1.312 0.000) 1.312 8.262 ( -0.000 -0.590 0.000) 0.590 8.262 ( 0.000 0.590 0.000) 0.590 9.314 ( 0.000 -0.429 0.000) 0.429 9.314 ( -0.000 0.429 0.000) 0.429 9.619 ( -0.000 -0.138 0.000) 0.138 9.619 ( -0.000 0.138 0.000) 0.138 15.765 ( -0.000 -0.698 0.000) 0.698 15.765 ( -0.000 0.698 0.000) 0.698 =================== 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 3/20160 10.0 255.031 209.997 44.030 0.000 10.644 0.000 3/20160 20.0 185.716 216.446 20.045 0.000 2.148 0.000 3/20160 30.0 126.250 174.948 10.338 0.000 0.728 0.000 3/20160 40.0 95.958 139.482 6.526 0.000 0.409 0.000 3/20160 50.0 75.822 112.849 4.668 0.000 0.281 0.000 3/20160 60.0 61.143 92.348 3.596 0.000 0.213 0.000 3/20160 70.0 50.326 76.758 2.908 0.000 0.172 0.000 3/20160 80.0 42.304 64.976 2.435 0.000 0.144 0.000 3/20160 90.0 36.273 56.003 2.092 0.000 0.124 0.000 3/20160 100.0 31.650 49.060 1.833 0.000 0.110 0.000 3/20160 110.0 28.035 43.585 1.632 0.000 0.099 0.000 3/20160 120.0 25.149 39.186 1.472 0.000 0.089 0.000 3/20160 130.0 22.802 35.588 1.341 0.000 0.082 0.000 3/20160 140.0 20.862 32.598 1.232 0.000 0.076 0.000 3/20160 150.0 19.233 30.077 1.140 0.000 0.070 0.000 3/20160 160.0 17.846 27.924 1.061 0.000 0.066 0.000 3/20160 170.0 16.653 26.064 0.993 0.000 0.062 0.000 3/20160 180.0 15.615 24.442 0.933 0.000 0.058 0.000 3/20160 190.0 14.704 23.016 0.880 0.000 0.055 0.000 3/20160 200.0 13.897 21.750 0.833 0.000 0.052 0.000 3/20160 210.0 13.177 20.620 0.791 0.000 0.050 0.000 3/20160 220.0 12.531 19.605 0.753 0.000 0.048 0.000 3/20160 230.0 11.948 18.687 0.719 0.000 0.046 0.000 3/20160 240.0 11.419 17.854 0.688 0.000 0.044 0.000 3/20160 250.0 10.936 17.094 0.659 0.000 0.042 0.000 3/20160 260.0 10.493 16.397 0.633 0.000 0.040 0.000 3/20160 270.0 10.087 15.756 0.608 0.000 0.039 0.000 3/20160 280.0 9.711 15.165 0.586 0.000 0.037 0.000 3/20160 290.0 9.363 14.617 0.565 0.000 0.036 0.000 3/20160 300.0 9.040 14.108 0.546 0.000 0.035 0.000 3/20160 310.0 8.739 13.635 0.528 0.000 0.034 0.000 3/20160 320.0 8.458 13.192 0.511 0.000 0.033 0.000 3/20160 330.0 8.195 12.778 0.495 0.000 0.032 0.000 3/20160 340.0 7.948 12.390 0.480 0.000 0.031 0.000 3/20160 350.0 7.716 12.025 0.466 0.000 0.030 0.000 3/20160 360.0 7.498 11.681 0.453 0.000 0.029 0.000 3/20160 370.0 7.291 11.357 0.441 0.000 0.028 0.000 3/20160 380.0 7.096 11.050 0.429 0.000 0.028 0.000 3/20160 390.0 6.911 10.760 0.418 0.000 0.027 0.000 3/20160 400.0 6.736 10.485 0.407 0.000 0.026 0.000 3/20160 410.0 6.570 10.224 0.397 0.000 0.026 0.000 3/20160 420.0 6.411 9.975 0.388 0.000 0.025 0.000 3/20160 430.0 6.261 9.739 0.378 0.000 0.024 0.000 3/20160 440.0 6.117 9.514 0.370 0.000 0.024 0.000 3/20160 450.0 5.980 9.299 0.361 0.000 0.023 0.000 3/20160 460.0 5.849 9.093 0.354 0.000 0.023 0.000 3/20160 470.0 5.723 8.897 0.346 0.000 0.022 0.000 3/20160 480.0 5.603 8.709 0.339 0.000 0.022 0.000 3/20160 490.0 5.488 8.529 0.332 0.000 0.021 0.000 3/20160 500.0 5.378 8.356 0.325 0.000 0.021 0.000 3/20160 510.0 5.272 8.190 0.319 0.000 0.021 0.000 3/20160 520.0 5.170 8.031 0.312 0.000 0.020 0.000 3/20160 530.0 5.072 7.878 0.307 0.000 0.020 0.000 3/20160 540.0 4.978 7.730 0.301 0.000 0.019 0.000 3/20160 550.0 4.887 7.588 0.295 0.000 0.019 0.000 3/20160 560.0 4.799 7.452 0.290 0.000 0.019 0.000 3/20160 570.0 4.715 7.320 0.285 0.000 0.018 0.000 3/20160 580.0 4.633 7.193 0.280 0.000 0.018 0.000 3/20160 590.0 4.555 7.070 0.275 0.000 0.018 0.000 3/20160 600.0 4.478 6.951 0.271 0.000 0.017 0.000 3/20160 610.0 4.405 6.836 0.266 0.000 0.017 0.000 3/20160 620.0 4.334 6.725 0.262 0.000 0.017 0.000 3/20160 630.0 4.265 6.618 0.258 0.000 0.017 0.000 3/20160 640.0 4.198 6.514 0.254 0.000 0.016 0.000 3/20160 650.0 4.134 6.413 0.250 0.000 0.016 0.000 3/20160 660.0 4.071 6.315 0.246 0.000 0.016 0.000 3/20160 670.0 4.010 6.220 0.242 0.000 0.016 0.000 3/20160 680.0 3.951 6.128 0.239 0.000 0.015 0.000 3/20160 690.0 3.894 6.039 0.235 0.000 0.015 0.000 3/20160 700.0 3.838 5.953 0.232 0.000 0.015 0.000 3/20160 710.0 3.784 5.868 0.229 0.000 0.015 0.000 3/20160 720.0 3.732 5.786 0.225 0.000 0.015 0.000 3/20160 730.0 3.680 5.707 0.222 0.000 0.014 0.000 3/20160 740.0 3.631 5.629 0.219 0.000 0.014 0.000 3/20160 750.0 3.582 5.554 0.216 0.000 0.014 0.000 3/20160 760.0 3.535 5.481 0.213 0.000 0.014 0.000 3/20160 770.0 3.489 5.409 0.211 0.000 0.014 0.000 3/20160 780.0 3.445 5.340 0.208 0.000 0.013 0.000 3/20160 790.0 3.401 5.272 0.205 0.000 0.013 0.000 3/20160 800.0 3.359 5.206 0.203 0.000 0.013 0.000 3/20160 810.0 3.317 5.142 0.200 0.000 0.013 0.000 3/20160 820.0 3.277 5.079 0.198 0.000 0.013 0.000 3/20160 830.0 3.237 5.017 0.195 0.000 0.013 0.000 3/20160 840.0 3.199 4.957 0.193 0.000 0.013 0.000 3/20160 850.0 3.161 4.899 0.191 0.000 0.012 0.000 3/20160 860.0 3.125 4.842 0.189 0.000 0.012 0.000 3/20160 870.0 3.089 4.786 0.186 0.000 0.012 0.000 3/20160 880.0 3.054 4.732 0.184 0.000 0.012 0.000 3/20160 890.0 3.019 4.678 0.182 0.000 0.012 0.000 3/20160 900.0 2.986 4.626 0.180 0.000 0.012 0.000 3/20160 910.0 2.953 4.575 0.178 0.000 0.012 0.000 3/20160 920.0 2.921 4.526 0.176 0.000 0.011 0.000 3/20160 930.0 2.890 4.477 0.174 0.000 0.011 0.000 3/20160 940.0 2.859 4.429 0.173 0.000 0.011 0.000 3/20160 950.0 2.829 4.383 0.171 0.000 0.011 0.000 3/20160 960.0 2.800 4.337 0.169 0.000 0.011 0.000 3/20160 970.0 2.771 4.292 0.167 0.000 0.011 0.000 3/20160 980.0 2.743 4.248 0.165 0.000 0.011 0.000 3/20160 990.0 2.715 4.205 0.164 0.000 0.011 0.000 3/20160 1000.0 2.688 4.163 0.162 0.000 0.011 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m10146.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:40:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|