----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:38:19]------------------------- 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: Pmn2_1 (31) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.840596460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.184319810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.702611300000000 Atomic positions (fractional): *1 H 0.50000000000000 0.71880364700628 0.98190853468166 1.008 2 H 0.00000000000000 0.28119635299372 0.48190853468166 1.008 *3 O 0.00000000000000 0.00738321814221 0.64426065823747 15.999 4 O 0.50000000000000 0.99261678185779 0.14426065823747 15.999 *5 O 0.00000000000000 0.49343719412853 0.34710356076998 15.999 6 O 0.50000000000000 0.50656280587147 0.84710356076998 15.999 *7 Al 0.50000000000000 0.76506576462833 0.49213724631092 26.982 8 Al 0.00000000000000 0.23493423537166 0.99213724631092 26.982 -------------------------------- unit cell --------------------------------- Lattice vectors: a 2.840596460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.184319810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.702611300000000 Atomic positions (fractional): *1 H 0.50000000000000 0.71880364700628 0.98190853468166 1.008 > 1 2 H 0.00000000000000 0.28119635299372 0.48190853468166 1.008 > 2 *3 O 0.00000000000000 0.00738321814221 0.64426065823747 15.999 > 3 4 O 0.50000000000000 0.99261678185779 0.14426065823747 15.999 > 4 *5 O 0.00000000000000 0.49343719412853 0.34710356076998 15.999 > 5 6 O 0.50000000000000 0.50656280587147 0.84710356076998 15.999 > 6 *7 Al 0.50000000000000 0.76506576462833 0.49213724631092 26.982 > 7 8 Al 0.00000000000000 0.23493423537166 0.99213724631092 26.982 > 8 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.521789380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.552959430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.405222600000000 Atomic positions (fractional): *1 H 0.16666666666667 0.23960121566876 0.49095426734083 1.008 > 1 2 H 0.50000000000000 0.23960121566876 0.49095426734083 1.008 > 1 3 H 0.83333333333333 0.23960121566876 0.49095426734083 1.008 > 1 4 H 0.16666666666667 0.57293454900209 0.49095426734083 1.008 > 1 5 H 0.50000000000000 0.57293454900209 0.49095426734083 1.008 > 1 6 H 0.83333333333333 0.57293454900209 0.49095426734083 1.008 > 1 7 H 0.16666666666667 0.90626788233543 0.49095426734083 1.008 > 1 8 H 0.50000000000000 0.90626788233543 0.49095426734083 1.008 > 1 9 H 0.83333333333333 0.90626788233543 0.49095426734083 1.008 > 1 10 H 0.16666666666667 0.23960121566876 0.99095426734083 1.008 > 1 11 H 0.50000000000000 0.23960121566876 0.99095426734083 1.008 > 1 12 H 0.83333333333333 0.23960121566876 0.99095426734083 1.008 > 1 13 H 0.16666666666667 0.57293454900209 0.99095426734083 1.008 > 1 14 H 0.50000000000000 0.57293454900209 0.99095426734083 1.008 > 1 15 H 0.83333333333333 0.57293454900209 0.99095426734083 1.008 > 1 16 H 0.16666666666667 0.90626788233543 0.99095426734083 1.008 > 1 17 H 0.50000000000000 0.90626788233543 0.99095426734083 1.008 > 1 18 H 0.83333333333333 0.90626788233543 0.99095426734083 1.008 > 1 19 H 0.00000000000000 0.09373211766457 0.24095426734083 1.008 > 2 20 H 0.33333333333333 0.09373211766457 0.24095426734083 1.008 > 2 21 H 0.66666666666667 0.09373211766457 0.24095426734083 1.008 > 2 22 H 0.00000000000000 0.42706545099791 0.24095426734083 1.008 > 2 23 H 0.33333333333333 0.42706545099791 0.24095426734083 1.008 > 2 24 H 0.66666666666667 0.42706545099791 0.24095426734083 1.008 > 2 25 H 0.00000000000000 0.76039878433124 0.24095426734083 1.008 > 2 26 H 0.33333333333333 0.76039878433124 0.24095426734083 1.008 > 2 27 H 0.66666666666667 0.76039878433124 0.24095426734083 1.008 > 2 28 H 0.00000000000000 0.09373211766457 0.74095426734083 1.008 > 2 29 H 0.33333333333333 0.09373211766457 0.74095426734083 1.008 > 2 30 H 0.66666666666667 0.09373211766457 0.74095426734083 1.008 > 2 31 H 0.00000000000000 0.42706545099791 0.74095426734083 1.008 > 2 32 H 0.33333333333333 0.42706545099791 0.74095426734083 1.008 > 2 33 H 0.66666666666667 0.42706545099791 0.74095426734083 1.008 > 2 34 H 0.00000000000000 0.76039878433124 0.74095426734083 1.008 > 2 35 H 0.33333333333333 0.76039878433124 0.74095426734083 1.008 > 2 36 H 0.66666666666667 0.76039878433124 0.74095426734083 1.008 > 2 *37 O 0.00000000000000 0.00246107271407 0.32213032911873 15.999 > 3 38 O 0.33333333333333 0.00246107271407 0.32213032911873 15.999 > 3 39 O 0.66666666666667 0.00246107271407 0.32213032911873 15.999 > 3 40 O 0.00000000000000 0.33579440604740 0.32213032911873 15.999 > 3 41 O 0.33333333333333 0.33579440604740 0.32213032911873 15.999 > 3 42 O 0.66666666666667 0.33579440604740 0.32213032911873 15.999 > 3 43 O 0.00000000000000 0.66912773938074 0.32213032911873 15.999 > 3 44 O 0.33333333333333 0.66912773938074 0.32213032911873 15.999 > 3 45 O 0.66666666666667 0.66912773938074 0.32213032911873 15.999 > 3 46 O 0.00000000000000 0.00246107271407 0.82213032911873 15.999 > 3 47 O 0.33333333333333 0.00246107271407 0.82213032911873 15.999 > 3 48 O 0.66666666666667 0.00246107271407 0.82213032911873 15.999 > 3 49 O 0.00000000000000 0.33579440604740 0.82213032911873 15.999 > 3 50 O 0.33333333333333 0.33579440604740 0.82213032911873 15.999 > 3 51 O 0.66666666666667 0.33579440604740 0.82213032911873 15.999 > 3 52 O 0.00000000000000 0.66912773938074 0.82213032911873 15.999 > 3 53 O 0.33333333333333 0.66912773938074 0.82213032911873 15.999 > 3 54 O 0.66666666666667 0.66912773938074 0.82213032911873 15.999 > 3 55 O 0.16666666666667 0.33087226061926 0.07213032911873 15.999 > 4 56 O 0.50000000000000 0.33087226061926 0.07213032911873 15.999 > 4 57 O 0.83333333333333 0.33087226061926 0.07213032911873 15.999 > 4 58 O 0.16666666666667 0.66420559395260 0.07213032911873 15.999 > 4 59 O 0.50000000000000 0.66420559395260 0.07213032911873 15.999 > 4 60 O 0.83333333333333 0.66420559395260 0.07213032911873 15.999 > 4 61 O 0.16666666666667 0.99753892728593 0.07213032911873 15.999 > 4 62 O 0.50000000000000 0.99753892728593 0.07213032911873 15.999 > 4 63 O 0.83333333333333 0.99753892728593 0.07213032911873 15.999 > 4 64 O 0.16666666666667 0.33087226061926 0.57213032911873 15.999 > 4 65 O 0.50000000000000 0.33087226061926 0.57213032911873 15.999 > 4 66 O 0.83333333333333 0.33087226061926 0.57213032911873 15.999 > 4 67 O 0.16666666666667 0.66420559395260 0.57213032911873 15.999 > 4 68 O 0.50000000000000 0.66420559395260 0.57213032911873 15.999 > 4 69 O 0.83333333333333 0.66420559395260 0.57213032911873 15.999 > 4 70 O 0.16666666666667 0.99753892728593 0.57213032911873 15.999 > 4 71 O 0.50000000000000 0.99753892728593 0.57213032911873 15.999 > 4 72 O 0.83333333333333 0.99753892728593 0.57213032911873 15.999 > 4 *73 O 0.00000000000000 0.16447906470951 0.17355178038499 15.999 > 5 74 O 0.33333333333333 0.16447906470951 0.17355178038499 15.999 > 5 75 O 0.66666666666667 0.16447906470951 0.17355178038499 15.999 > 5 76 O 0.00000000000000 0.49781239804284 0.17355178038499 15.999 > 5 77 O 0.33333333333333 0.49781239804284 0.17355178038499 15.999 > 5 78 O 0.66666666666667 0.49781239804284 0.17355178038499 15.999 > 5 79 O 0.00000000000000 0.83114573137618 0.17355178038499 15.999 > 5 80 O 0.33333333333333 0.83114573137618 0.17355178038499 15.999 > 5 81 O 0.66666666666667 0.83114573137618 0.17355178038499 15.999 > 5 82 O 0.00000000000000 0.16447906470951 0.67355178038499 15.999 > 5 83 O 0.33333333333333 0.16447906470951 0.67355178038499 15.999 > 5 84 O 0.66666666666667 0.16447906470951 0.67355178038499 15.999 > 5 85 O 0.00000000000000 0.49781239804284 0.67355178038499 15.999 > 5 86 O 0.33333333333333 0.49781239804284 0.67355178038499 15.999 > 5 87 O 0.66666666666667 0.49781239804284 0.67355178038499 15.999 > 5 88 O 0.00000000000000 0.83114573137618 0.67355178038499 15.999 > 5 89 O 0.33333333333333 0.83114573137618 0.67355178038499 15.999 > 5 90 O 0.66666666666667 0.83114573137618 0.67355178038499 15.999 > 5 91 O 0.16666666666667 0.16885426862382 0.42355178038499 15.999 > 6 92 O 0.50000000000000 0.16885426862382 0.42355178038499 15.999 > 6 93 O 0.83333333333333 0.16885426862382 0.42355178038499 15.999 > 6 94 O 0.16666666666667 0.50218760195716 0.42355178038499 15.999 > 6 95 O 0.50000000000000 0.50218760195716 0.42355178038499 15.999 > 6 96 O 0.83333333333333 0.50218760195716 0.42355178038499 15.999 > 6 97 O 0.16666666666667 0.83552093529049 0.42355178038499 15.999 > 6 98 O 0.50000000000000 0.83552093529049 0.42355178038499 15.999 > 6 99 O 0.83333333333333 0.83552093529049 0.42355178038499 15.999 > 6 100 O 0.16666666666667 0.16885426862382 0.92355178038499 15.999 > 6 101 O 0.50000000000000 0.16885426862382 0.92355178038499 15.999 > 6 102 O 0.83333333333333 0.16885426862382 0.92355178038499 15.999 > 6 103 O 0.16666666666667 0.50218760195716 0.92355178038499 15.999 > 6 104 O 0.50000000000000 0.50218760195716 0.92355178038499 15.999 > 6 105 O 0.83333333333333 0.50218760195716 0.92355178038499 15.999 > 6 106 O 0.16666666666667 0.83552093529049 0.92355178038499 15.999 > 6 107 O 0.50000000000000 0.83552093529049 0.92355178038499 15.999 > 6 108 O 0.83333333333333 0.83552093529049 0.92355178038499 15.999 > 6 *109 Al 0.16666666666667 0.25502192154278 0.24606862315546 26.982 > 7 110 Al 0.50000000000000 0.25502192154278 0.24606862315546 26.982 > 7 111 Al 0.83333333333333 0.25502192154278 0.24606862315546 26.982 > 7 112 Al 0.16666666666667 0.58835525487611 0.24606862315546 26.982 > 7 113 Al 0.50000000000000 0.58835525487611 0.24606862315546 26.982 > 7 114 Al 0.83333333333333 0.58835525487611 0.24606862315546 26.982 > 7 115 Al 0.16666666666667 0.92168858820944 0.24606862315546 26.982 > 7 116 Al 0.50000000000000 0.92168858820944 0.24606862315546 26.982 > 7 117 Al 0.83333333333333 0.92168858820944 0.24606862315546 26.982 > 7 118 Al 0.16666666666667 0.25502192154278 0.74606862315546 26.982 > 7 119 Al 0.50000000000000 0.25502192154278 0.74606862315546 26.982 > 7 120 Al 0.83333333333333 0.25502192154278 0.74606862315546 26.982 > 7 121 Al 0.16666666666667 0.58835525487611 0.74606862315546 26.982 > 7 122 Al 0.50000000000000 0.58835525487611 0.74606862315546 26.982 > 7 123 Al 0.83333333333333 0.58835525487611 0.74606862315546 26.982 > 7 124 Al 0.16666666666667 0.92168858820944 0.74606862315546 26.982 > 7 125 Al 0.50000000000000 0.92168858820944 0.74606862315546 26.982 > 7 126 Al 0.83333333333333 0.92168858820944 0.74606862315546 26.982 > 7 127 Al 0.00000000000000 0.07831141179055 0.49606862315546 26.982 > 8 128 Al 0.33333333333333 0.07831141179055 0.49606862315546 26.982 > 8 129 Al 0.66666666666667 0.07831141179055 0.49606862315546 26.982 > 8 130 Al 0.00000000000000 0.41164474512389 0.49606862315546 26.982 > 8 131 Al 0.33333333333333 0.41164474512389 0.49606862315546 26.982 > 8 132 Al 0.66666666666667 0.41164474512389 0.49606862315546 26.982 > 8 133 Al 0.00000000000000 0.74497807845722 0.49606862315546 26.982 > 8 134 Al 0.33333333333333 0.74497807845722 0.49606862315546 26.982 > 8 135 Al 0.66666666666667 0.74497807845722 0.49606862315546 26.982 > 8 136 Al 0.00000000000000 0.07831141179055 0.99606862315546 26.982 > 8 137 Al 0.33333333333333 0.07831141179055 0.99606862315546 26.982 > 8 138 Al 0.66666666666667 0.07831141179055 0.99606862315546 26.982 > 8 139 Al 0.00000000000000 0.41164474512389 0.99606862315546 26.982 > 8 140 Al 0.33333333333333 0.41164474512389 0.99606862315546 26.982 > 8 141 Al 0.66666666666667 0.41164474512389 0.99606862315546 26.982 > 8 142 Al 0.00000000000000 0.74497807845722 0.99606862315546 26.982 > 8 143 Al 0.33333333333333 0.74497807845722 0.99606862315546 26.982 > 8 144 Al 0.66666666666667 0.74497807845722 0.99606862315546 26.982 > 8 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0976958 0.0000000 0.0000000 0.0000000 3.3827661 0.0000000 0.0000000 0.0000000 3.2296930 -------------------------- Born effective charges -------------------------- 1 H 0.3196687 0.0000000 0.0000000 0.0000000 1.5602346 0.7836378 0.0000000 0.7487109 0.8885338 2 H 0.3196687 0.0000000 0.0000000 0.0000000 1.5602346 -0.7836378 0.0000000 -0.7487109 0.8885338 3 O -1.7564145 0.0000000 0.0000000 0.0000000 -2.2113181 -0.0138856 0.0000000 0.0661473 -2.0012933 4 O -1.7564145 0.0000000 0.0000000 0.0000000 -2.2113181 0.0138856 0.0000000 -0.0661473 -2.0012933 5 O -1.5723532 0.0000000 0.0000000 0.0000000 -2.2592439 0.0829022 0.0000000 0.1055496 -1.8643046 6 O -1.5723532 0.0000000 0.0000000 0.0000000 -2.2592439 -0.0829022 0.0000000 -0.1055496 -1.8643046 7 Al 3.0090990 0.0000000 0.0000000 0.0000000 2.9103274 0.1049639 0.0000000 -0.1670193 2.9770641 8 Al 3.0090990 0.0000000 0.0000000 0.0000000 2.9103274 -0.1049639 0.0000000 0.1670193 2.9770641 ---------------------------------------------------------------------------- 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: 1368 Number of blocks in projector: 1368 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: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 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: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.011 Solver_block: 100 / 240 - Time: 2.182 Solver_block: 200 / 240 - Time: 2.234 Solver_block: 240 / 240 - Time: 0.961 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.413 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 1368 Number of blocks in projector: 1368 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: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 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: - (1368, 1348), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (200, 196), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:38:38]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:38:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.840596460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.184319810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.702611300000000 Atomic positions (fractional): 1 H 0.50000000000000 0.71880364700628 0.98190853468166 1.008 2 H 0.00000000000000 0.28119635299372 0.48190853468166 1.008 3 O 0.00000000000000 0.00738321814221 0.64426065823747 15.999 4 O 0.50000000000000 0.99261678185779 0.14426065823747 15.999 5 O 0.00000000000000 0.49343719412853 0.34710356076998 15.999 6 O 0.50000000000000 0.50656280587147 0.84710356076998 15.999 7 Al 0.50000000000000 0.76506576462833 0.49213724631092 26.982 8 Al 0.00000000000000 0.23493423537166 0.99213724631092 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.521789380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.552959430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.405222600000000 Atomic positions (fractional): 1 H 0.16666666666667 0.23960121566876 0.49095426734083 1.008 > 1 2 H 0.50000000000000 0.23960121566876 0.49095426734083 1.008 > 1 3 H 0.83333333333333 0.23960121566876 0.49095426734083 1.008 > 1 4 H 0.16666666666667 0.57293454900209 0.49095426734083 1.008 > 1 5 H 0.50000000000000 0.57293454900209 0.49095426734083 1.008 > 1 6 H 0.83333333333333 0.57293454900209 0.49095426734083 1.008 > 1 7 H 0.16666666666667 0.90626788233543 0.49095426734083 1.008 > 1 8 H 0.50000000000000 0.90626788233543 0.49095426734083 1.008 > 1 9 H 0.83333333333333 0.90626788233543 0.49095426734083 1.008 > 1 10 H 0.16666666666667 0.23960121566876 0.99095426734083 1.008 > 1 11 H 0.50000000000000 0.23960121566876 0.99095426734083 1.008 > 1 12 H 0.83333333333333 0.23960121566876 0.99095426734083 1.008 > 1 13 H 0.16666666666667 0.57293454900209 0.99095426734083 1.008 > 1 14 H 0.50000000000000 0.57293454900209 0.99095426734083 1.008 > 1 15 H 0.83333333333333 0.57293454900209 0.99095426734083 1.008 > 1 16 H 0.16666666666667 0.90626788233543 0.99095426734083 1.008 > 1 17 H 0.50000000000000 0.90626788233543 0.99095426734083 1.008 > 1 18 H 0.83333333333333 0.90626788233543 0.99095426734083 1.008 > 1 19 H 0.00000000000000 0.09373211766457 0.24095426734083 1.008 > 19 20 H 0.33333333333333 0.09373211766457 0.24095426734083 1.008 > 19 21 H 0.66666666666667 0.09373211766457 0.24095426734083 1.008 > 19 22 H 0.00000000000000 0.42706545099791 0.24095426734083 1.008 > 19 23 H 0.33333333333333 0.42706545099791 0.24095426734083 1.008 > 19 24 H 0.66666666666667 0.42706545099791 0.24095426734083 1.008 > 19 25 H 0.00000000000000 0.76039878433124 0.24095426734083 1.008 > 19 26 H 0.33333333333333 0.76039878433124 0.24095426734083 1.008 > 19 27 H 0.66666666666667 0.76039878433124 0.24095426734083 1.008 > 19 28 H 0.00000000000000 0.09373211766457 0.74095426734083 1.008 > 19 29 H 0.33333333333333 0.09373211766457 0.74095426734083 1.008 > 19 30 H 0.66666666666667 0.09373211766457 0.74095426734083 1.008 > 19 31 H 0.00000000000000 0.42706545099791 0.74095426734083 1.008 > 19 32 H 0.33333333333333 0.42706545099791 0.74095426734083 1.008 > 19 33 H 0.66666666666667 0.42706545099791 0.74095426734083 1.008 > 19 34 H 0.00000000000000 0.76039878433124 0.74095426734083 1.008 > 19 35 H 0.33333333333333 0.76039878433124 0.74095426734083 1.008 > 19 36 H 0.66666666666667 0.76039878433124 0.74095426734083 1.008 > 19 37 O 0.00000000000000 0.00246107271407 0.32213032911873 15.999 > 37 38 O 0.33333333333333 0.00246107271407 0.32213032911873 15.999 > 37 39 O 0.66666666666667 0.00246107271407 0.32213032911873 15.999 > 37 40 O 0.00000000000000 0.33579440604740 0.32213032911873 15.999 > 37 41 O 0.33333333333333 0.33579440604740 0.32213032911873 15.999 > 37 42 O 0.66666666666667 0.33579440604740 0.32213032911873 15.999 > 37 43 O 0.00000000000000 0.66912773938074 0.32213032911873 15.999 > 37 44 O 0.33333333333333 0.66912773938074 0.32213032911873 15.999 > 37 45 O 0.66666666666667 0.66912773938074 0.32213032911873 15.999 > 37 46 O 0.00000000000000 0.00246107271407 0.82213032911873 15.999 > 37 47 O 0.33333333333333 0.00246107271407 0.82213032911873 15.999 > 37 48 O 0.66666666666667 0.00246107271407 0.82213032911873 15.999 > 37 49 O 0.00000000000000 0.33579440604740 0.82213032911873 15.999 > 37 50 O 0.33333333333333 0.33579440604740 0.82213032911873 15.999 > 37 51 O 0.66666666666667 0.33579440604740 0.82213032911873 15.999 > 37 52 O 0.00000000000000 0.66912773938074 0.82213032911873 15.999 > 37 53 O 0.33333333333333 0.66912773938074 0.82213032911873 15.999 > 37 54 O 0.66666666666667 0.66912773938074 0.82213032911873 15.999 > 37 55 O 0.16666666666667 0.33087226061926 0.07213032911873 15.999 > 55 56 O 0.50000000000000 0.33087226061926 0.07213032911873 15.999 > 55 57 O 0.83333333333333 0.33087226061926 0.07213032911873 15.999 > 55 58 O 0.16666666666667 0.66420559395260 0.07213032911873 15.999 > 55 59 O 0.50000000000000 0.66420559395260 0.07213032911873 15.999 > 55 60 O 0.83333333333333 0.66420559395260 0.07213032911873 15.999 > 55 61 O 0.16666666666667 0.99753892728593 0.07213032911873 15.999 > 55 62 O 0.50000000000000 0.99753892728593 0.07213032911873 15.999 > 55 63 O 0.83333333333333 0.99753892728593 0.07213032911873 15.999 > 55 64 O 0.16666666666667 0.33087226061926 0.57213032911873 15.999 > 55 65 O 0.50000000000000 0.33087226061926 0.57213032911873 15.999 > 55 66 O 0.83333333333333 0.33087226061926 0.57213032911873 15.999 > 55 67 O 0.16666666666667 0.66420559395260 0.57213032911873 15.999 > 55 68 O 0.50000000000000 0.66420559395260 0.57213032911873 15.999 > 55 69 O 0.83333333333333 0.66420559395260 0.57213032911873 15.999 > 55 70 O 0.16666666666667 0.99753892728593 0.57213032911873 15.999 > 55 71 O 0.50000000000000 0.99753892728593 0.57213032911873 15.999 > 55 72 O 0.83333333333333 0.99753892728593 0.57213032911873 15.999 > 55 73 O 0.00000000000000 0.16447906470951 0.17355178038499 15.999 > 73 74 O 0.33333333333333 0.16447906470951 0.17355178038499 15.999 > 73 75 O 0.66666666666667 0.16447906470951 0.17355178038499 15.999 > 73 76 O 0.00000000000000 0.49781239804284 0.17355178038499 15.999 > 73 77 O 0.33333333333333 0.49781239804284 0.17355178038499 15.999 > 73 78 O 0.66666666666667 0.49781239804284 0.17355178038499 15.999 > 73 79 O 0.00000000000000 0.83114573137618 0.17355178038499 15.999 > 73 80 O 0.33333333333333 0.83114573137618 0.17355178038499 15.999 > 73 81 O 0.66666666666667 0.83114573137618 0.17355178038499 15.999 > 73 82 O 0.00000000000000 0.16447906470951 0.67355178038499 15.999 > 73 83 O 0.33333333333333 0.16447906470951 0.67355178038499 15.999 > 73 84 O 0.66666666666667 0.16447906470951 0.67355178038499 15.999 > 73 85 O 0.00000000000000 0.49781239804284 0.67355178038499 15.999 > 73 86 O 0.33333333333333 0.49781239804284 0.67355178038499 15.999 > 73 87 O 0.66666666666667 0.49781239804284 0.67355178038499 15.999 > 73 88 O 0.00000000000000 0.83114573137618 0.67355178038499 15.999 > 73 89 O 0.33333333333333 0.83114573137618 0.67355178038499 15.999 > 73 90 O 0.66666666666667 0.83114573137618 0.67355178038499 15.999 > 73 91 O 0.16666666666667 0.16885426862382 0.42355178038499 15.999 > 91 92 O 0.50000000000000 0.16885426862382 0.42355178038499 15.999 > 91 93 O 0.83333333333333 0.16885426862382 0.42355178038499 15.999 > 91 94 O 0.16666666666667 0.50218760195716 0.42355178038499 15.999 > 91 95 O 0.50000000000000 0.50218760195716 0.42355178038499 15.999 > 91 96 O 0.83333333333333 0.50218760195716 0.42355178038499 15.999 > 91 97 O 0.16666666666667 0.83552093529049 0.42355178038499 15.999 > 91 98 O 0.50000000000000 0.83552093529049 0.42355178038499 15.999 > 91 99 O 0.83333333333333 0.83552093529049 0.42355178038499 15.999 > 91 100 O 0.16666666666667 0.16885426862382 0.92355178038499 15.999 > 91 101 O 0.50000000000000 0.16885426862382 0.92355178038499 15.999 > 91 102 O 0.83333333333333 0.16885426862382 0.92355178038499 15.999 > 91 103 O 0.16666666666667 0.50218760195716 0.92355178038499 15.999 > 91 104 O 0.50000000000000 0.50218760195716 0.92355178038499 15.999 > 91 105 O 0.83333333333333 0.50218760195716 0.92355178038499 15.999 > 91 106 O 0.16666666666667 0.83552093529049 0.92355178038499 15.999 > 91 107 O 0.50000000000000 0.83552093529049 0.92355178038499 15.999 > 91 108 O 0.83333333333333 0.83552093529049 0.92355178038499 15.999 > 91 109 Al 0.16666666666667 0.25502192154278 0.24606862315546 26.982 > 109 110 Al 0.50000000000000 0.25502192154278 0.24606862315546 26.982 > 109 111 Al 0.83333333333333 0.25502192154278 0.24606862315546 26.982 > 109 112 Al 0.16666666666667 0.58835525487611 0.24606862315546 26.982 > 109 113 Al 0.50000000000000 0.58835525487611 0.24606862315546 26.982 > 109 114 Al 0.83333333333333 0.58835525487611 0.24606862315546 26.982 > 109 115 Al 0.16666666666667 0.92168858820944 0.24606862315546 26.982 > 109 116 Al 0.50000000000000 0.92168858820944 0.24606862315546 26.982 > 109 117 Al 0.83333333333333 0.92168858820944 0.24606862315546 26.982 > 109 118 Al 0.16666666666667 0.25502192154278 0.74606862315546 26.982 > 109 119 Al 0.50000000000000 0.25502192154278 0.74606862315546 26.982 > 109 120 Al 0.83333333333333 0.25502192154278 0.74606862315546 26.982 > 109 121 Al 0.16666666666667 0.58835525487611 0.74606862315546 26.982 > 109 122 Al 0.50000000000000 0.58835525487611 0.74606862315546 26.982 > 109 123 Al 0.83333333333333 0.58835525487611 0.74606862315546 26.982 > 109 124 Al 0.16666666666667 0.92168858820944 0.74606862315546 26.982 > 109 125 Al 0.50000000000000 0.92168858820944 0.74606862315546 26.982 > 109 126 Al 0.83333333333333 0.92168858820944 0.74606862315546 26.982 > 109 127 Al 0.00000000000000 0.07831141179055 0.49606862315546 26.982 > 127 128 Al 0.33333333333333 0.07831141179055 0.49606862315546 26.982 > 127 129 Al 0.66666666666667 0.07831141179055 0.49606862315546 26.982 > 127 130 Al 0.00000000000000 0.41164474512389 0.49606862315546 26.982 > 127 131 Al 0.33333333333333 0.41164474512389 0.49606862315546 26.982 > 127 132 Al 0.66666666666667 0.41164474512389 0.49606862315546 26.982 > 127 133 Al 0.00000000000000 0.74497807845722 0.49606862315546 26.982 > 127 134 Al 0.33333333333333 0.74497807845722 0.49606862315546 26.982 > 127 135 Al 0.66666666666667 0.74497807845722 0.49606862315546 26.982 > 127 136 Al 0.00000000000000 0.07831141179055 0.99606862315546 26.982 > 127 137 Al 0.33333333333333 0.07831141179055 0.99606862315546 26.982 > 127 138 Al 0.66666666666667 0.07831141179055 0.99606862315546 26.982 > 127 139 Al 0.00000000000000 0.41164474512389 0.99606862315546 26.982 > 127 140 Al 0.33333333333333 0.41164474512389 0.99606862315546 26.982 > 127 141 Al 0.66666666666667 0.41164474512389 0.99606862315546 26.982 > 127 142 Al 0.00000000000000 0.74497807845722 0.99606862315546 26.982 > 127 143 Al 0.33333333333333 0.74497807845722 0.99606862315546 26.982 > 127 144 Al 0.66666666666667 0.74497807845722 0.99606862315546 26.982 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0976958 0.0000000 0.0000000 0.0000000 3.3827661 0.0000000 0.0000000 0.0000000 3.2296930 -------------------------- Born effective charges -------------------------- 1 H 0.3196687 0.0000000 0.0000000 0.0000000 1.5602346 0.7836378 0.0000000 0.7487109 0.8885338 2 H 0.3196687 0.0000000 0.0000000 0.0000000 1.5602346 -0.7836378 0.0000000 -0.7487109 0.8885338 3 O -1.7564145 0.0000000 0.0000000 0.0000000 -2.2113181 -0.0138856 0.0000000 0.0661473 -2.0012933 4 O -1.7564145 0.0000000 0.0000000 0.0000000 -2.2113181 0.0138856 0.0000000 -0.0661473 -2.0012933 5 O -1.5723532 0.0000000 0.0000000 0.0000000 -2.2592439 0.0829022 0.0000000 0.1055496 -1.8643046 6 O -1.5723532 0.0000000 0.0000000 0.0000000 -2.2592439 -0.0829022 0.0000000 -0.1055496 -1.8643046 7 Al 3.0090990 0.0000000 0.0000000 0.0000000 2.9103274 0.1049639 0.0000000 -0.1670193 2.9770641 8 Al 3.0090990 0.0000000 0.0000000 0.0000000 2.9103274 -0.1049639 0.0000000 0.1670193 2.9770641 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:38:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:38:57]------------------------- 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: Pmn2_1 (31) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.840596460000000 0.000000000000000 0.000000000000000 b 0.000000000000000 4.184319810000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.702611300000000 Atomic positions (fractional): 1 H 0.50000000000000 0.71880364700628 0.98190853468166 1.008 2 H 0.00000000000000 0.28119635299372 0.48190853468166 1.008 3 O 0.00000000000000 0.00738321814221 0.64426065823747 15.999 4 O 0.50000000000000 0.99261678185779 0.14426065823747 15.999 5 O 0.00000000000000 0.49343719412853 0.34710356076998 15.999 6 O 0.50000000000000 0.50656280587147 0.84710356076998 15.999 7 Al 0.50000000000000 0.76506576462833 0.49213724631092 26.982 8 Al 0.00000000000000 0.23493423537166 0.99213724631092 26.982 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.521789380000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.552959430000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.405222600000000 Atomic positions (fractional): 1 H 0.16666666666667 0.23960121566876 0.49095426734083 1.008 > 1 2 H 0.50000000000000 0.23960121566876 0.49095426734083 1.008 > 1 3 H 0.83333333333333 0.23960121566876 0.49095426734083 1.008 > 1 4 H 0.16666666666667 0.57293454900209 0.49095426734083 1.008 > 1 5 H 0.50000000000000 0.57293454900209 0.49095426734083 1.008 > 1 6 H 0.83333333333333 0.57293454900209 0.49095426734083 1.008 > 1 7 H 0.16666666666667 0.90626788233543 0.49095426734083 1.008 > 1 8 H 0.50000000000000 0.90626788233543 0.49095426734083 1.008 > 1 9 H 0.83333333333333 0.90626788233543 0.49095426734083 1.008 > 1 10 H 0.16666666666667 0.23960121566876 0.99095426734083 1.008 > 1 11 H 0.50000000000000 0.23960121566876 0.99095426734083 1.008 > 1 12 H 0.83333333333333 0.23960121566876 0.99095426734083 1.008 > 1 13 H 0.16666666666667 0.57293454900209 0.99095426734083 1.008 > 1 14 H 0.50000000000000 0.57293454900209 0.99095426734083 1.008 > 1 15 H 0.83333333333333 0.57293454900209 0.99095426734083 1.008 > 1 16 H 0.16666666666667 0.90626788233543 0.99095426734083 1.008 > 1 17 H 0.50000000000000 0.90626788233543 0.99095426734083 1.008 > 1 18 H 0.83333333333333 0.90626788233543 0.99095426734083 1.008 > 1 19 H 0.00000000000000 0.09373211766457 0.24095426734083 1.008 > 19 20 H 0.33333333333333 0.09373211766457 0.24095426734083 1.008 > 19 21 H 0.66666666666667 0.09373211766457 0.24095426734083 1.008 > 19 22 H 0.00000000000000 0.42706545099791 0.24095426734083 1.008 > 19 23 H 0.33333333333333 0.42706545099791 0.24095426734083 1.008 > 19 24 H 0.66666666666667 0.42706545099791 0.24095426734083 1.008 > 19 25 H 0.00000000000000 0.76039878433124 0.24095426734083 1.008 > 19 26 H 0.33333333333333 0.76039878433124 0.24095426734083 1.008 > 19 27 H 0.66666666666667 0.76039878433124 0.24095426734083 1.008 > 19 28 H 0.00000000000000 0.09373211766457 0.74095426734083 1.008 > 19 29 H 0.33333333333333 0.09373211766457 0.74095426734083 1.008 > 19 30 H 0.66666666666667 0.09373211766457 0.74095426734083 1.008 > 19 31 H 0.00000000000000 0.42706545099791 0.74095426734083 1.008 > 19 32 H 0.33333333333333 0.42706545099791 0.74095426734083 1.008 > 19 33 H 0.66666666666667 0.42706545099791 0.74095426734083 1.008 > 19 34 H 0.00000000000000 0.76039878433124 0.74095426734083 1.008 > 19 35 H 0.33333333333333 0.76039878433124 0.74095426734083 1.008 > 19 36 H 0.66666666666667 0.76039878433124 0.74095426734083 1.008 > 19 37 O 0.00000000000000 0.00246107271407 0.32213032911873 15.999 > 37 38 O 0.33333333333333 0.00246107271407 0.32213032911873 15.999 > 37 39 O 0.66666666666667 0.00246107271407 0.32213032911873 15.999 > 37 40 O 0.00000000000000 0.33579440604740 0.32213032911873 15.999 > 37 41 O 0.33333333333333 0.33579440604740 0.32213032911873 15.999 > 37 42 O 0.66666666666667 0.33579440604740 0.32213032911873 15.999 > 37 43 O 0.00000000000000 0.66912773938074 0.32213032911873 15.999 > 37 44 O 0.33333333333333 0.66912773938074 0.32213032911873 15.999 > 37 45 O 0.66666666666667 0.66912773938074 0.32213032911873 15.999 > 37 46 O 0.00000000000000 0.00246107271407 0.82213032911873 15.999 > 37 47 O 0.33333333333333 0.00246107271407 0.82213032911873 15.999 > 37 48 O 0.66666666666667 0.00246107271407 0.82213032911873 15.999 > 37 49 O 0.00000000000000 0.33579440604740 0.82213032911873 15.999 > 37 50 O 0.33333333333333 0.33579440604740 0.82213032911873 15.999 > 37 51 O 0.66666666666667 0.33579440604740 0.82213032911873 15.999 > 37 52 O 0.00000000000000 0.66912773938074 0.82213032911873 15.999 > 37 53 O 0.33333333333333 0.66912773938074 0.82213032911873 15.999 > 37 54 O 0.66666666666667 0.66912773938074 0.82213032911873 15.999 > 37 55 O 0.16666666666667 0.33087226061926 0.07213032911873 15.999 > 55 56 O 0.50000000000000 0.33087226061926 0.07213032911873 15.999 > 55 57 O 0.83333333333333 0.33087226061926 0.07213032911873 15.999 > 55 58 O 0.16666666666667 0.66420559395260 0.07213032911873 15.999 > 55 59 O 0.50000000000000 0.66420559395260 0.07213032911873 15.999 > 55 60 O 0.83333333333333 0.66420559395260 0.07213032911873 15.999 > 55 61 O 0.16666666666667 0.99753892728593 0.07213032911873 15.999 > 55 62 O 0.50000000000000 0.99753892728593 0.07213032911873 15.999 > 55 63 O 0.83333333333333 0.99753892728593 0.07213032911873 15.999 > 55 64 O 0.16666666666667 0.33087226061926 0.57213032911873 15.999 > 55 65 O 0.50000000000000 0.33087226061926 0.57213032911873 15.999 > 55 66 O 0.83333333333333 0.33087226061926 0.57213032911873 15.999 > 55 67 O 0.16666666666667 0.66420559395260 0.57213032911873 15.999 > 55 68 O 0.50000000000000 0.66420559395260 0.57213032911873 15.999 > 55 69 O 0.83333333333333 0.66420559395260 0.57213032911873 15.999 > 55 70 O 0.16666666666667 0.99753892728593 0.57213032911873 15.999 > 55 71 O 0.50000000000000 0.99753892728593 0.57213032911873 15.999 > 55 72 O 0.83333333333333 0.99753892728593 0.57213032911873 15.999 > 55 73 O 0.00000000000000 0.16447906470951 0.17355178038499 15.999 > 73 74 O 0.33333333333333 0.16447906470951 0.17355178038499 15.999 > 73 75 O 0.66666666666667 0.16447906470951 0.17355178038499 15.999 > 73 76 O 0.00000000000000 0.49781239804284 0.17355178038499 15.999 > 73 77 O 0.33333333333333 0.49781239804284 0.17355178038499 15.999 > 73 78 O 0.66666666666667 0.49781239804284 0.17355178038499 15.999 > 73 79 O 0.00000000000000 0.83114573137618 0.17355178038499 15.999 > 73 80 O 0.33333333333333 0.83114573137618 0.17355178038499 15.999 > 73 81 O 0.66666666666667 0.83114573137618 0.17355178038499 15.999 > 73 82 O 0.00000000000000 0.16447906470951 0.67355178038499 15.999 > 73 83 O 0.33333333333333 0.16447906470951 0.67355178038499 15.999 > 73 84 O 0.66666666666667 0.16447906470951 0.67355178038499 15.999 > 73 85 O 0.00000000000000 0.49781239804284 0.67355178038499 15.999 > 73 86 O 0.33333333333333 0.49781239804284 0.67355178038499 15.999 > 73 87 O 0.66666666666667 0.49781239804284 0.67355178038499 15.999 > 73 88 O 0.00000000000000 0.83114573137618 0.67355178038499 15.999 > 73 89 O 0.33333333333333 0.83114573137618 0.67355178038499 15.999 > 73 90 O 0.66666666666667 0.83114573137618 0.67355178038499 15.999 > 73 91 O 0.16666666666667 0.16885426862382 0.42355178038499 15.999 > 91 92 O 0.50000000000000 0.16885426862382 0.42355178038499 15.999 > 91 93 O 0.83333333333333 0.16885426862382 0.42355178038499 15.999 > 91 94 O 0.16666666666667 0.50218760195716 0.42355178038499 15.999 > 91 95 O 0.50000000000000 0.50218760195716 0.42355178038499 15.999 > 91 96 O 0.83333333333333 0.50218760195716 0.42355178038499 15.999 > 91 97 O 0.16666666666667 0.83552093529049 0.42355178038499 15.999 > 91 98 O 0.50000000000000 0.83552093529049 0.42355178038499 15.999 > 91 99 O 0.83333333333333 0.83552093529049 0.42355178038499 15.999 > 91 100 O 0.16666666666667 0.16885426862382 0.92355178038499 15.999 > 91 101 O 0.50000000000000 0.16885426862382 0.92355178038499 15.999 > 91 102 O 0.83333333333333 0.16885426862382 0.92355178038499 15.999 > 91 103 O 0.16666666666667 0.50218760195716 0.92355178038499 15.999 > 91 104 O 0.50000000000000 0.50218760195716 0.92355178038499 15.999 > 91 105 O 0.83333333333333 0.50218760195716 0.92355178038499 15.999 > 91 106 O 0.16666666666667 0.83552093529049 0.92355178038499 15.999 > 91 107 O 0.50000000000000 0.83552093529049 0.92355178038499 15.999 > 91 108 O 0.83333333333333 0.83552093529049 0.92355178038499 15.999 > 91 109 Al 0.16666666666667 0.25502192154278 0.24606862315546 26.982 > 109 110 Al 0.50000000000000 0.25502192154278 0.24606862315546 26.982 > 109 111 Al 0.83333333333333 0.25502192154278 0.24606862315546 26.982 > 109 112 Al 0.16666666666667 0.58835525487611 0.24606862315546 26.982 > 109 113 Al 0.50000000000000 0.58835525487611 0.24606862315546 26.982 > 109 114 Al 0.83333333333333 0.58835525487611 0.24606862315546 26.982 > 109 115 Al 0.16666666666667 0.92168858820944 0.24606862315546 26.982 > 109 116 Al 0.50000000000000 0.92168858820944 0.24606862315546 26.982 > 109 117 Al 0.83333333333333 0.92168858820944 0.24606862315546 26.982 > 109 118 Al 0.16666666666667 0.25502192154278 0.74606862315546 26.982 > 109 119 Al 0.50000000000000 0.25502192154278 0.74606862315546 26.982 > 109 120 Al 0.83333333333333 0.25502192154278 0.74606862315546 26.982 > 109 121 Al 0.16666666666667 0.58835525487611 0.74606862315546 26.982 > 109 122 Al 0.50000000000000 0.58835525487611 0.74606862315546 26.982 > 109 123 Al 0.83333333333333 0.58835525487611 0.74606862315546 26.982 > 109 124 Al 0.16666666666667 0.92168858820944 0.74606862315546 26.982 > 109 125 Al 0.50000000000000 0.92168858820944 0.74606862315546 26.982 > 109 126 Al 0.83333333333333 0.92168858820944 0.74606862315546 26.982 > 109 127 Al 0.00000000000000 0.07831141179055 0.49606862315546 26.982 > 127 128 Al 0.33333333333333 0.07831141179055 0.49606862315546 26.982 > 127 129 Al 0.66666666666667 0.07831141179055 0.49606862315546 26.982 > 127 130 Al 0.00000000000000 0.41164474512389 0.49606862315546 26.982 > 127 131 Al 0.33333333333333 0.41164474512389 0.49606862315546 26.982 > 127 132 Al 0.66666666666667 0.41164474512389 0.49606862315546 26.982 > 127 133 Al 0.00000000000000 0.74497807845722 0.49606862315546 26.982 > 127 134 Al 0.33333333333333 0.74497807845722 0.49606862315546 26.982 > 127 135 Al 0.66666666666667 0.74497807845722 0.49606862315546 26.982 > 127 136 Al 0.00000000000000 0.07831141179055 0.99606862315546 26.982 > 127 137 Al 0.33333333333333 0.07831141179055 0.99606862315546 26.982 > 127 138 Al 0.66666666666667 0.07831141179055 0.99606862315546 26.982 > 127 139 Al 0.00000000000000 0.41164474512389 0.99606862315546 26.982 > 127 140 Al 0.33333333333333 0.41164474512389 0.99606862315546 26.982 > 127 141 Al 0.66666666666667 0.41164474512389 0.99606862315546 26.982 > 127 142 Al 0.00000000000000 0.74497807845722 0.99606862315546 26.982 > 127 143 Al 0.33333333333333 0.74497807845722 0.99606862315546 26.982 > 127 144 Al 0.66666666666667 0.74497807845722 0.99606862315546 26.982 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0976958 0.0000000 0.0000000 0.0000000 3.3827661 0.0000000 0.0000000 0.0000000 3.2296930 -------------------------- Born effective charges -------------------------- 1 H 0.3196687 0.0000000 0.0000000 0.0000000 1.5602346 0.7836378 0.0000000 0.7487109 0.8885338 2 H 0.3196687 0.0000000 0.0000000 0.0000000 1.5602346 -0.7836378 0.0000000 -0.7487109 0.8885338 3 O -1.7564145 0.0000000 0.0000000 0.0000000 -2.2113181 -0.0138856 0.0000000 0.0661473 -2.0012933 4 O -1.7564145 0.0000000 0.0000000 0.0000000 -2.2113181 0.0138856 0.0000000 -0.0661473 -2.0012933 5 O -1.5723532 0.0000000 0.0000000 0.0000000 -2.2592439 0.0829022 0.0000000 0.1055496 -1.8643046 6 O -1.5723532 0.0000000 0.0000000 0.0000000 -2.2592439 -0.0829022 0.0000000 -0.1055496 -1.8643046 7 Al 3.0090990 0.0000000 0.0000000 0.0000000 2.9103274 0.1049639 0.0000000 -0.1670193 2.9770641 8 Al 3.0090990 0.0000000 0.0000000 0.0000000 2.9103274 -0.1049639 0.0000000 0.1670193 2.9770641 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 18 12 11 ] 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: 1.09, Number of G-points: 293, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/420) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 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 7.908 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 11.895 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 -0.000) 0.000 12.389 ( 0.000 0.000 -0.000) 0.000 12.558 ( 0.000 0.000 -0.000) 0.000 13.581 ( 0.000 0.000 -0.000) 0.000 15.092 ( 0.000 0.000 0.000) 0.000 16.184 ( 0.000 0.000 0.000) 0.000 16.674 ( 0.000 0.000 0.000) 0.000 17.690 ( 0.000 0.000 0.000) 0.000 18.741 ( 0.000 0.000 -0.000) 0.000 20.102 ( 0.000 0.000 -0.000) 0.000 21.644 ( 0.000 0.000 -0.000) 0.000 36.582 ( 0.000 0.000 0.000) 0.000 37.647 ( 0.000 0.000 0.000) 0.000 40.951 ( 0.000 0.000 0.000) 0.000 43.636 ( 0.000 0.000 0.000) 0.000 55.567 ( 0.000 0.000 0.000) 0.000 58.515 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/420) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( 60.477 0.000 0.000) 60.477 1.185 ( 60.623 0.000 0.000) 60.623 2.076 ( 105.227 0.000 0.000) 105.227 7.962 ( 5.707 0.000 0.000) 5.707 8.618 ( 29.716 0.000 0.000) 29.716 10.449 ( -4.977 0.000 0.000) 4.977 11.953 ( 4.528 0.000 0.000) 4.528 12.165 ( -7.085 0.000 0.000) 7.085 12.650 ( 18.054 0.000 0.000) 18.054 12.666 ( 11.589 0.000 0.000) 11.589 13.614 ( 3.633 0.000 0.000) 3.633 16.196 ( 0.877 0.000 0.000) 0.877 16.670 ( -0.206 0.000 0.000) 0.206 17.697 ( 0.659 0.000 0.000) 0.659 18.685 ( -5.656 0.000 0.000) 5.656 20.040 ( -6.333 0.000 0.000) 6.333 21.609 ( -3.598 0.000 0.000) 3.598 22.364 ( -1.919 0.000 0.000) 1.919 36.640 ( 5.846 0.000 0.000) 5.846 39.204 ( 0.576 0.000 0.000) 0.576 40.966 ( 1.466 0.000 0.000) 1.466 43.615 ( -2.158 0.000 0.000) 2.158 55.470 ( -9.691 0.000 0.000) 9.691 58.384 ( -13.312 0.000 0.000) 13.312 ======================= Grid point 2 (3/420) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.349 ( 58.555 0.000 0.000) 58.555 2.380 ( 61.397 0.000 0.000) 61.397 4.099 ( 101.089 0.000 0.000) 101.089 8.140 ( 12.722 0.000 0.000) 12.722 9.397 ( 45.651 0.000 0.000) 45.651 10.371 ( 0.275 0.000 0.000) 0.275 12.019 ( 1.678 0.000 0.000) 1.678 12.050 ( -4.987 0.000 0.000) 4.987 13.018 ( 23.686 0.000 0.000) 23.686 13.040 ( 20.343 0.000 0.000) 20.343 13.744 ( 10.680 0.000 0.000) 10.680 16.192 ( -2.027 0.000 0.000) 2.027 16.685 ( 2.260 0.000 0.000) 2.260 17.711 ( 0.385 0.000 0.000) 0.385 18.529 ( -9.909 0.000 0.000) 9.909 19.856 ( -12.337 0.000 0.000) 12.337 21.506 ( -6.912 0.000 0.000) 6.912 22.304 ( -4.260 0.000 0.000) 4.260 36.806 ( 11.007 0.000 0.000) 11.007 39.220 ( 0.990 0.000 0.000) 0.990 41.008 ( 2.854 0.000 0.000) 2.854 43.551 ( -4.451 0.000 0.000) 4.451 55.199 ( -17.668 0.000 0.000) 17.668 58.005 ( -25.037 0.000 0.000) 25.037 ======================= Grid point 3 (4/420) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.468 ( 55.693 0.000 0.000) 55.693 3.582 ( 61.320 0.000 0.000) 61.320 6.005 ( 92.847 0.000 0.000) 92.847 8.472 ( 21.714 0.000 0.000) 21.714 9.934 ( 2.803 0.000 0.000) 2.803 10.873 ( 55.698 0.000 0.000) 55.698 11.961 ( -4.158 0.000 0.000) 4.158 12.025 ( -0.643 0.000 0.000) 0.643 13.376 ( 13.180 0.000 0.000) 13.180 13.549 ( 29.446 0.000 0.000) 29.446 14.080 ( 23.984 0.000 0.000) 23.984 16.099 ( -7.433 0.000 0.000) 7.433 16.764 ( 5.506 0.000 0.000) 5.506 17.685 ( -4.229 0.000 0.000) 4.229 18.331 ( -8.803 0.000 0.000) 8.803 19.562 ( -17.635 0.000 0.000) 17.635 21.342 ( -9.710 0.000 0.000) 9.710 22.192 ( -7.351 0.000 0.000) 7.351 37.062 ( 14.940 0.000 0.000) 14.940 39.241 ( 1.080 0.000 0.000) 1.080 41.076 ( 4.124 0.000 0.000) 4.124 43.440 ( -6.924 0.000 0.000) 6.924 54.800 ( -22.542 0.000 0.000) 22.542 57.423 ( -33.874 0.000 0.000) 33.874 ======================= Grid point 4 (5/420) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.520 ( 51.734 0.000 0.000) 51.734 4.769 ( 59.808 0.000 0.000) 59.808 7.663 ( 73.619 0.000 0.000) 73.619 9.032 ( 37.875 0.000 0.000) 37.875 9.857 ( -6.916 0.000 0.000) 6.916 11.886 ( -3.537 0.000 0.000) 3.537 11.927 ( 9.203 0.000 0.000) 9.203 12.217 ( 58.193 0.000 0.000) 58.193 13.580 ( 8.693 0.000 0.000) 8.693 14.130 ( 29.158 0.000 0.000) 29.158 14.632 ( 30.743 0.000 0.000) 30.743 15.911 ( -11.576 0.000 0.000) 11.576 16.882 ( 6.135 0.000 0.000) 6.135 17.496 ( -15.289 0.000 0.000) 15.289 18.245 ( 0.495 0.000 0.000) 0.495 19.174 ( -21.818 0.000 0.000) 21.818 21.130 ( -11.825 0.000 0.000) 11.825 22.011 ( -11.351 0.000 0.000) 11.351 37.380 ( 17.333 0.000 0.000) 17.333 39.259 ( 0.692 0.000 0.000) 0.692 41.169 ( 5.306 0.000 0.000) 5.306 43.280 ( -9.460 0.000 0.000) 9.460 54.343 ( -23.518 0.000 0.000) 23.518 56.704 ( -39.008 0.000 0.000) 39.008 ======================= Grid point 5 (6/420) ======================= q-point: ( 0.28 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.485 ( 46.771 0.000 0.000) 46.771 5.909 ( 56.333 0.000 0.000) 56.333 8.762 ( 39.904 0.000 0.000) 39.904 9.704 ( -8.472 0.000 0.000) 8.472 10.036 ( 62.422 0.000 0.000) 62.422 11.830 ( -1.808 0.000 0.000) 1.808 11.899 ( -3.790 0.000 0.000) 3.790 13.545 ( 67.663 0.000 0.000) 67.663 13.740 ( 7.959 0.000 0.000) 7.959 14.657 ( 24.040 0.000 0.000) 24.040 15.235 ( 30.128 0.000 0.000) 30.128 15.658 ( -13.817 0.000 0.000) 13.817 16.997 ( 5.798 0.000 0.000) 5.798 17.131 ( -20.483 0.000 0.000) 20.483 18.324 ( 6.717 0.000 0.000) 6.717 18.717 ( -24.583 0.000 0.000) 24.583 20.885 ( -13.123 0.000 0.000) 13.123 21.743 ( -16.163 0.000 0.000) 16.163 37.730 ( 18.122 0.000 0.000) 18.122 39.264 ( -0.290 0.000 0.000) 0.290 41.284 ( 6.492 0.000 0.000) 6.492 43.071 ( -11.757 0.000 0.000) 11.757 53.906 ( -20.530 0.000 0.000) 20.530 55.923 ( -40.186 0.000 0.000) 40.186 ======================= Grid point 6 (7/420) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.344 ( 40.905 0.000 0.000) 40.905 6.953 ( 49.834 0.000 0.000) 49.834 9.373 ( 24.876 0.000 0.000) 24.876 9.534 ( -8.583 0.000 0.000) 8.583 11.212 ( 47.156 0.000 0.000) 47.156 11.812 ( -4.999 0.000 0.000) 4.999 11.888 ( 15.018 0.000 0.000) 15.018 13.895 ( 7.844 0.000 0.000) 7.844 14.696 ( 40.219 0.000 0.000) 40.219 15.068 ( 17.908 0.000 0.000) 17.908 15.432 ( -1.682 0.000 0.000) 1.682 15.786 ( 25.708 0.000 0.000) 25.708 16.747 ( -17.555 0.000 0.000) 17.555 17.130 ( 8.818 0.000 0.000) 8.818 18.221 ( -25.964 0.000 0.000) 25.964 18.483 ( 8.974 0.000 0.000) 8.974 20.623 ( -13.418 0.000 0.000) 13.418 21.377 ( -21.267 0.000 0.000) 21.267 38.080 ( 17.454 0.000 0.000) 17.454 39.243 ( -1.926 0.000 0.000) 1.926 41.423 ( 7.806 0.000 0.000) 7.806 42.824 ( -13.413 0.000 0.000) 13.413 53.562 ( -14.186 0.000 0.000) 14.186 55.157 ( -37.655 0.000 0.000) 37.655 ======================= Grid point 7 (8/420) ======================= q-point: ( 0.39 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.079 ( 34.219 0.000 0.000) 34.219 7.812 ( 35.888 0.000 0.000) 35.888 9.396 ( -4.089 0.000 0.000) 4.089 9.758 ( 14.178 0.000 0.000) 14.178 11.556 ( 1.446 0.000 0.000) 1.446 11.709 ( -5.369 0.000 0.000) 5.369 12.672 ( 50.786 0.000 0.000) 50.786 14.048 ( 8.014 0.000 0.000) 8.014 14.873 ( -11.604 0.000 0.000) 11.604 15.084 ( -5.410 0.000 0.000) 5.410 16.017 ( 37.781 0.000 0.000) 37.781 16.223 ( 18.420 0.000 0.000) 18.420 16.497 ( -6.549 0.000 0.000) 6.549 17.402 ( 20.605 0.000 0.000) 20.605 17.710 ( -25.752 0.000 0.000) 25.752 18.654 ( 7.847 0.000 0.000) 7.847 20.370 ( -12.179 0.000 0.000) 12.179 20.919 ( -25.064 0.000 0.000) 25.064 38.405 ( 15.622 0.000 0.000) 15.622 39.184 ( -4.188 0.000 0.000) 4.188 41.591 ( 9.324 0.000 0.000) 9.324 42.553 ( -14.104 0.000 0.000) 14.104 53.366 ( -5.499 0.000 0.000) 5.499 54.471 ( -32.012 0.000 0.000) 32.012 ======================= Grid point 8 (9/420) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.676 ( 26.600 0.000 0.000) 26.600 8.240 ( 5.747 0.000 0.000) 5.747 9.462 ( 12.085 0.000 0.000) 12.085 9.904 ( 0.088 0.000 0.000) 0.088 11.546 ( -0.955 0.000 0.000) 0.955 11.611 ( -4.390 0.000 0.000) 4.390 13.576 ( 39.755 0.000 0.000) 39.755 14.227 ( 11.139 0.000 0.000) 11.139 14.567 ( -17.437 0.000 0.000) 17.437 14.884 ( -15.478 0.000 0.000) 15.478 16.467 ( 9.284 0.000 0.000) 9.284 16.526 ( 14.357 0.000 0.000) 14.357 16.549 ( 8.955 0.000 0.000) 8.955 17.199 ( -24.896 0.000 0.000) 24.896 17.969 ( 33.173 0.000 0.000) 33.173 18.744 ( -0.579 0.000 0.000) 0.579 20.169 ( -7.415 0.000 0.000) 7.415 20.437 ( -22.412 0.000 0.000) 22.412 38.686 ( 13.002 0.000 0.000) 13.002 39.076 ( -6.949 0.000 0.000) 6.949 41.789 ( 10.995 0.000 0.000) 10.995 42.279 ( -13.760 0.000 0.000) 13.760 53.355 ( 4.419 0.000 0.000) 4.419 53.920 ( -24.037 0.000 0.000) 24.037 ======================= Grid point 9 (10/420) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.104 ( -16.335 0.000 0.000) 16.335 8.104 ( 16.335 0.000 0.000) 16.335 9.759 ( -13.941 0.000 0.000) 13.941 9.759 ( 13.941 0.000 0.000) 13.941 11.549 ( -1.668 0.000 0.000) 1.668 11.549 ( 1.668 0.000 0.000) 1.668 14.188 ( -23.154 0.000 0.000) 23.154 14.188 ( 23.154 0.000 0.000) 23.154 14.523 ( -19.062 0.000 0.000) 19.062 14.523 ( 19.062 0.000 0.000) 19.062 16.647 ( -0.726 0.000 0.000) 0.726 16.647 ( 0.726 0.000 0.000) 0.726 16.756 ( -19.237 0.000 0.000) 19.237 16.756 ( 19.237 0.000 0.000) 19.237 18.541 ( -21.444 0.000 0.000) 21.444 18.541 ( 21.444 0.000 0.000) 21.444 20.139 ( -6.255 0.000 0.000) 6.255 20.139 ( 6.255 0.000 0.000) 6.255 38.911 ( -9.988 0.000 0.000) 9.988 38.911 ( 9.988 0.000 0.000) 9.988 42.020 ( -12.596 0.000 0.000) 12.596 42.020 ( 12.596 0.000 0.000) 12.596 53.540 ( -14.560 0.000 0.000) 14.560 53.540 ( 14.560 0.000 0.000) 14.560 ======================= Grid point 19 (11/420) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 60.718 0.000) 60.718 1.468 ( 0.000 72.743 0.000) 72.743 2.021 ( 0.000 101.001 0.000) 101.001 8.181 ( 0.000 25.999 0.000) 25.999 8.267 ( 0.000 -5.081 0.000) 5.081 10.839 ( 0.000 -12.474 0.000) 12.474 11.864 ( 0.000 -2.655 0.000) 2.655 11.983 ( 0.000 0.685 0.000) 0.685 12.355 ( 0.000 -3.866 0.000) 3.866 13.606 ( 0.000 2.992 0.000) 2.992 15.114 ( 0.000 2.148 0.000) 2.148 15.711 ( 0.000 -20.948 0.000) 20.948 16.162 ( 0.000 -2.170 0.000) 2.170 17.711 ( 0.000 -4.722 0.000) 4.722 18.578 ( 0.000 -5.630 0.000) 5.630 19.841 ( 0.000 16.978 0.000) 16.978 20.623 ( 0.000 -6.304 0.000) 6.304 23.639 ( 0.000 -4.499 0.000) 4.499 36.601 ( 0.000 1.877 0.000) 1.877 37.632 ( 0.000 -1.471 0.000) 1.471 43.394 ( 0.000 -1.436 0.000) 1.436 43.641 ( 0.000 0.350 0.000) 0.350 55.768 ( 0.000 20.152 0.000) 20.152 68.629 ( 0.000 -23.008 0.000) 23.008 ======================= Grid point 20 (12/420) ======================= q-point: ( 0.06 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 40.487 48.308 0.000) 63.031 1.868 ( 39.165 55.280 0.000) 67.748 2.795 ( 73.209 65.922 0.000) 98.515 8.161 ( 2.518 17.191 0.000) 17.375 8.617 ( 30.616 1.597 0.000) 30.658 10.700 ( -10.859 -2.389 0.000) 11.119 12.026 ( 3.589 2.391 0.000) 4.313 12.050 ( 12.904 -4.243 0.000) 13.584 12.434 ( 10.356 -5.943 0.000) 11.940 13.627 ( 0.582 4.052 0.000) 4.094 14.014 ( -49.027 52.511 0.000) 71.840 16.084 ( 4.420 -19.131 0.000) 19.635 16.265 ( 10.188 -16.227 0.000) 19.160 17.803 ( 4.096 -3.658 0.000) 5.492 18.554 ( -2.438 -3.976 0.000) 4.664 20.029 ( 7.672 5.001 0.000) 9.158 20.676 ( 6.266 -25.250 0.000) 26.015 23.216 ( -30.302 17.832 0.000) 35.160 36.658 ( 5.809 1.841 0.000) 6.094 38.005 ( 28.202 -27.475 0.000) 39.373 42.772 ( -46.146 44.620 0.000) 64.190 43.608 ( -2.427 -0.479 0.000) 2.473 55.667 ( -10.054 19.976 0.000) 22.363 63.734 (-276.030 237.963 0.000) 364.443 ======================= Grid point 21 (13/420) ======================= q-point: ( 0.11 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.676 ( 47.657 31.532 0.000) 57.144 2.793 ( 51.515 37.173 0.000) 63.526 4.470 ( 91.397 35.690 0.000) 98.119 8.288 ( 10.485 14.201 0.000) 17.652 9.394 ( 45.490 -1.188 0.000) 45.505 10.523 ( -4.439 4.690 0.000) 6.458 12.030 ( -2.321 -0.288 0.000) 2.339 12.229 ( 3.475 11.974 0.000) 12.468 12.813 ( 25.988 -10.173 0.000) 27.909 13.418 ( -5.962 23.132 0.000) 23.888 13.819 ( 10.158 9.656 0.000) 14.015 16.088 ( -2.284 -11.765 0.000) 11.984 16.422 ( 6.490 -17.948 0.000) 19.085 17.815 ( -2.502 -0.894 0.000) 2.657 18.493 ( -3.334 3.209 0.000) 4.628 19.975 ( -11.111 10.594 0.000) 15.352 20.815 ( 5.514 -41.437 0.000) 41.803 22.713 ( -20.705 17.711 0.000) 27.247 36.823 ( 10.926 1.729 0.000) 11.062 38.490 ( 20.008 -35.946 0.000) 41.139 42.037 ( -27.115 54.694 0.000) 61.047 43.541 ( -4.573 -0.939 0.000) 4.669 55.388 ( -18.040 19.360 0.000) 26.462 60.146 (-115.482 162.917 0.000) 199.695 ======================= Grid point 22 (14/420) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 50.505 18.162 0.000) 53.672 3.838 ( 54.670 24.390 0.000) 59.864 6.239 ( 87.412 22.534 0.000) 90.270 8.584 ( 20.375 11.143 0.000) 23.223 9.993 ( 5.551 1.055 0.000) 5.650 10.869 ( 47.810 -0.697 0.000) 47.815 11.968 ( -3.071 0.045 0.000) 3.072 12.217 ( -3.195 17.135 0.000) 17.430 13.288 ( 17.235 -7.505 0.000) 18.798 13.568 ( 21.311 1.704 0.000) 21.379 14.133 ( 21.658 5.377 0.000) 22.315 16.008 ( -5.753 -8.771 0.000) 10.490 16.532 ( 4.546 -19.195 0.000) 19.726 17.719 ( -6.936 -0.822 0.000) 6.984 18.445 ( -1.189 12.276 0.000) 12.334 19.663 ( -19.806 8.631 0.000) 21.605 20.855 ( -1.376 -36.971 0.000) 36.997 22.370 ( -15.460 9.259 0.000) 18.021 37.078 ( 14.814 1.533 0.000) 14.893 38.797 ( 12.009 -29.228 0.000) 31.599 41.672 ( -11.819 41.134 0.000) 42.799 43.428 ( -7.033 -1.202 0.000) 7.135 54.983 ( -22.790 18.642 0.000) 29.444 58.458 ( -67.480 89.997 0.000) 112.486 ======================= Grid point 23 (15/420) ======================= q-point: ( 0.22 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.624 ( 49.118 10.611 0.000) 50.251 4.912 ( 54.791 14.383 0.000) 56.647 7.784 ( 66.613 11.341 0.000) 67.572 9.143 ( 39.556 11.261 0.000) 41.128 9.927 ( -6.898 4.156 0.000) 8.053 11.760 ( 12.027 -9.824 0.000) 15.529 12.040 ( 8.113 7.358 0.000) 10.952 12.275 ( 36.398 6.340 0.000) 36.946 13.518 ( 9.523 -5.703 0.000) 11.100 14.101 ( 28.653 -2.835 0.000) 28.793 14.633 ( 28.139 0.607 0.000) 28.146 15.869 ( -8.114 -3.906 0.000) 9.005 16.581 ( -0.086 -25.045 0.000) 25.045 17.566 ( -7.917 5.423 0.000) 9.596 18.455 ( 2.304 17.056 0.000) 17.210 19.223 ( -24.727 4.232 0.000) 25.086 20.774 ( -6.557 -29.727 0.000) 30.441 22.077 ( -15.072 3.175 0.000) 15.402 37.393 ( 17.161 1.251 0.000) 17.206 38.981 ( 7.166 -21.235 0.000) 22.412 41.528 ( -3.693 28.216 0.000) 28.457 43.265 ( -9.535 -1.403 0.000) 9.637 54.523 ( -23.616 18.147 0.000) 29.783 57.297 ( -53.610 54.298 0.000) 76.304 ======================= Grid point 24 (16/420) ======================= q-point: ( 0.28 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.550 ( 45.287 6.554 0.000) 45.759 5.966 ( 52.576 6.222 0.000) 52.943 8.744 ( 33.881 -1.262 0.000) 33.904 9.767 ( -6.546 4.326 0.000) 7.846 10.196 ( 61.657 15.439 0.000) 63.561 11.769 ( -1.348 -6.102 0.000) 6.249 11.978 ( -6.017 7.295 0.000) 9.456 13.382 ( 51.048 -12.205 0.000) 52.486 13.741 ( 19.709 -3.767 0.000) 20.066 14.610 ( 22.267 -3.611 0.000) 22.558 15.169 ( 23.714 -4.807 0.000) 24.196 15.723 ( -4.424 4.359 0.000) 6.211 16.530 ( -4.192 -28.556 0.000) 28.862 17.436 ( -4.958 14.830 0.000) 15.637 18.530 ( 5.121 16.738 0.000) 17.504 18.712 ( -27.046 0.018 0.000) 27.046 20.611 ( -9.731 -23.649 0.000) 25.573 21.763 ( -17.412 0.177 0.000) 17.412 37.738 ( 17.897 0.875 0.000) 17.919 39.086 ( 3.737 -14.782 0.000) 15.247 41.505 ( 1.041 18.720 0.000) 18.749 43.057 ( -11.750 -1.486 0.000) 11.843 54.085 ( -20.477 17.963 0.000) 27.239 56.316 ( -47.146 36.848 0.000) 59.838 ======================= Grid point 25 (17/420) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.386 ( 39.945 4.197 0.000) 40.165 6.950 ( 47.411 0.071 0.000) 47.411 9.217 ( 14.109 -9.972 0.000) 17.277 9.663 ( -1.158 6.847 0.000) 6.944 11.295 ( 35.596 6.770 0.000) 36.234 11.847 ( -5.006 2.409 0.000) 5.555 11.891 ( 23.424 1.764 0.000) 23.490 13.793 ( 9.293 -8.282 0.000) 12.448 14.553 ( 38.554 -20.595 0.000) 43.710 14.938 ( 10.830 -3.037 0.000) 11.248 15.379 ( 2.929 -5.606 0.000) 6.325 15.894 ( 19.515 5.933 0.000) 20.397 16.493 ( 3.191 -16.253 0.000) 16.563 17.378 ( -0.702 17.022 0.000) 17.037 18.180 ( -26.884 -3.440 0.000) 27.104 18.649 ( 6.588 14.473 0.000) 15.902 20.405 ( -11.050 -18.929 0.000) 21.918 21.388 ( -20.989 -0.329 0.000) 20.992 38.083 ( 17.161 0.387 0.000) 17.165 39.130 ( 0.679 -9.993 0.000) 10.016 41.559 ( 4.316 11.997 0.000) 12.750 42.810 ( -13.262 -1.349 0.000) 13.330 53.743 ( -13.996 18.076 0.000) 22.861 55.451 ( -41.132 28.073 0.000) 49.798 ======================= Grid point 26 (18/420) ======================= q-point: ( 0.39 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.106 ( 33.559 2.651 0.000) 33.664 7.780 ( 35.703 -3.052 0.000) 35.834 9.287 ( -2.054 -9.245 0.000) 9.470 9.767 ( 7.732 -0.516 0.000) 7.749 11.500 ( 0.211 -4.992 0.000) 4.997 11.713 ( -6.869 0.160 0.000) 6.870 12.784 ( 50.391 9.925 0.000) 51.359 13.958 ( 8.266 -7.129 0.000) 10.915 14.798 ( -6.695 -13.122 0.000) 14.731 15.007 ( -3.119 -6.107 0.000) 6.857 15.675 ( 21.119 -17.311 0.000) 27.308 16.217 ( 11.573 -7.769 0.000) 13.939 16.727 ( 17.665 15.172 0.000) 23.286 17.465 ( 12.310 7.384 0.000) 14.355 17.681 ( -23.081 -2.210 0.000) 23.187 18.769 ( 4.913 10.010 0.000) 11.151 20.195 ( -9.826 -14.557 0.000) 17.563 20.946 ( -23.862 0.922 0.000) 23.879 38.402 ( 15.228 -0.258 0.000) 15.230 39.112 ( -2.459 -6.539 0.000) 6.986 41.671 ( 7.009 7.253 0.000) 10.086 42.545 ( -13.740 -0.873 0.000) 13.768 53.553 ( -5.195 18.441 0.000) 19.158 54.716 ( -33.808 23.579 0.000) 41.219 ======================= Grid point 27 (19/420) ======================= q-point: ( 0.44 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.692 ( 26.168 1.596 0.000) 26.216 8.230 ( 7.376 -1.196 0.000) 7.472 9.341 ( 10.670 -11.146 0.000) 15.429 9.827 ( -3.118 -7.939 0.000) 8.529 11.488 ( -0.365 -5.040 0.000) 5.054 11.589 ( -5.519 -2.017 0.000) 5.876 13.639 ( 35.135 5.201 0.000) 35.518 14.131 ( 9.115 -6.506 0.000) 11.199 14.585 ( -10.992 -0.740 0.000) 11.016 14.873 ( -10.646 -4.917 0.000) 11.726 15.994 ( 12.913 -22.509 0.000) 25.950 16.348 ( 0.787 -17.476 0.000) 17.494 16.973 ( 7.114 22.586 0.000) 23.680 17.279 ( -15.476 7.112 0.000) 17.032 17.946 ( 31.596 -2.108 0.000) 31.666 18.789 ( -4.784 3.407 0.000) 5.873 20.058 ( -2.745 -8.058 0.000) 8.513 20.484 ( -22.168 2.471 0.000) 22.305 38.673 ( 12.451 -1.133 0.000) 12.502 39.032 ( -5.784 -4.085 0.000) 7.081 41.832 ( 9.439 3.915 0.000) 10.219 42.280 ( -13.109 0.066 0.000) 13.109 53.548 ( 4.839 19.023 0.000) 19.629 54.138 ( -25.022 21.212 0.000) 32.803 ======================= Grid point 28 (20/420) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.112 ( -14.703 0.777 0.000) 14.724 8.112 ( 14.704 0.777 0.000) 14.724 9.637 ( -12.183 -11.863 0.000) 17.004 9.637 ( 12.183 -11.863 0.000) 17.004 11.508 ( -0.909 -3.657 0.000) 3.768 11.508 ( 0.909 -3.657 0.000) 3.768 14.118 ( -3.120 -4.326 0.000) 5.333 14.118 ( 3.120 -4.326 0.000) 5.334 14.606 ( -9.100 3.305 0.000) 9.682 14.606 ( 9.100 3.305 0.000) 9.682 16.233 ( -5.529 -23.934 0.000) 24.564 16.233 ( 5.529 -23.934 0.000) 24.564 17.082 ( -0.727 17.283 0.000) 17.298 17.082 ( 0.727 17.283 0.000) 17.298 18.517 ( -23.255 -2.506 0.000) 23.390 18.517 ( 23.255 -2.506 0.000) 23.390 20.140 ( -11.359 0.045 0.000) 11.359 20.140 ( 11.359 0.045 0.000) 11.359 38.886 ( -5.505 -2.354 0.000) 5.987 38.886 ( 5.505 -2.354 0.000) 5.987 42.038 ( -10.858 1.604 0.000) 10.976 42.038 ( 10.858 1.604 0.000) 10.976 53.744 ( -13.061 19.873 0.000) 23.780 53.744 ( 13.061 19.873 0.000) 23.780 ======================= Grid point 38 (21/420) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( 0.000 58.444 0.000) 58.444 2.865 ( 0.000 67.312 0.000) 67.312 4.021 ( 0.000 99.210 0.000) 99.210 8.115 ( 0.000 -10.257 0.000) 10.257 8.834 ( 0.000 35.521 0.000) 35.521 10.504 ( 0.000 -19.795 0.000) 19.795 11.802 ( 0.000 -3.448 0.000) 3.448 11.990 ( 0.000 -0.028 0.000) 0.028 12.223 ( 0.000 -9.112 0.000) 9.112 13.722 ( 0.000 9.116 0.000) 9.116 15.175 ( 0.000 3.786 0.000) 3.786 15.216 ( 0.000 -27.215 0.000) 27.215 16.100 ( 0.000 -3.930 0.000) 3.930 17.374 ( 0.000 -24.835 0.000) 24.835 18.690 ( 0.000 12.006 0.000) 12.006 20.058 ( 0.000 1.005 0.000) 1.005 20.532 ( 0.000 0.503 0.000) 0.503 23.517 ( 0.000 -7.386 0.000) 7.386 36.655 ( 0.000 3.492 0.000) 3.492 37.590 ( 0.000 -2.792 0.000) 2.792 43.358 ( 0.000 -1.955 0.000) 1.955 43.646 ( 0.000 0.114 0.000) 0.114 56.365 ( 0.000 39.672 0.000) 39.672 67.951 ( 0.000 -44.698 0.000) 44.698 ======================= Grid point 39 (22/420) ======================= q-point: ( 0.06 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 35.024 52.322 0.000) 62.962 3.064 ( 20.950 61.526 0.000) 64.995 4.370 ( 36.616 86.304 0.000) 93.751 8.301 ( 16.248 -5.539 0.000) 17.166 8.923 ( 11.324 27.615 0.000) 29.847 10.472 ( -2.513 -16.562 0.000) 16.751 11.949 ( 9.460 -4.838 0.000) 10.625 12.077 ( 10.452 1.370 0.000) 10.541 12.273 ( 7.256 -9.866 0.000) 12.247 13.744 ( 1.962 8.814 0.000) 9.029 14.587 ( -31.465 10.415 0.000) 33.144 15.583 ( 12.577 -22.108 0.000) 25.435 16.119 ( 1.763 -5.473 0.000) 5.751 17.444 ( 5.822 -25.478 0.000) 26.135 18.700 ( 0.930 12.648 0.000) 12.682 20.093 ( 3.159 -5.943 0.000) 6.730 20.442 ( -9.076 1.583 0.000) 9.213 23.310 ( -18.937 -2.622 0.000) 19.118 36.711 ( 5.705 3.428 0.000) 6.656 37.723 ( 12.495 -7.677 0.000) 14.665 43.172 ( -18.012 7.121 0.000) 19.368 43.602 ( -3.548 -0.168 0.000) 3.552 56.260 ( -10.579 39.309 0.000) 40.708 66.039 (-163.101 31.910 0.000) 166.193 ======================= Grid point 40 (23/420) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.478 ( 32.352 46.197 0.000) 56.399 3.698 ( 39.202 50.553 0.000) 63.972 5.425 ( 67.618 57.439 0.000) 88.721 8.595 ( 12.735 12.104 0.000) 17.570 9.373 ( 32.609 0.205 0.000) 32.609 10.457 ( 3.522 -8.518 0.000) 9.218 11.984 ( -2.585 -4.886 0.000) 5.527 12.376 ( 13.627 3.447 0.000) 14.057 12.605 ( 26.477 -9.891 0.000) 28.264 13.736 ( -6.366 11.014 0.000) 12.722 14.149 ( -7.174 16.657 0.000) 18.136 15.732 ( 3.782 -20.018 0.000) 20.372 16.154 ( 1.229 -10.145 0.000) 10.219 17.550 ( 4.324 -20.033 0.000) 20.495 18.722 ( 1.298 14.056 0.000) 14.116 20.129 ( -6.948 -26.630 0.000) 27.522 20.214 ( -7.093 11.118 0.000) 13.188 22.881 ( -22.864 1.416 0.000) 22.908 36.873 ( 10.712 3.239 0.000) 11.191 38.019 ( 16.412 -14.785 0.000) 22.090 42.748 ( -22.766 20.551 0.000) 30.669 43.518 ( -5.193 -1.255 0.000) 5.343 55.965 ( -19.039 38.274 0.000) 42.748 62.808 (-150.616 89.829 0.000) 175.370 ======================= Grid point 41 (24/420) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.170 ( 38.094 33.328 0.000) 50.615 4.496 ( 42.154 40.255 0.000) 58.287 6.836 ( 72.241 35.338 0.000) 80.421 8.881 ( 19.180 17.017 0.000) 25.641 9.869 ( 10.807 -12.997 0.000) 16.903 10.824 ( 37.642 -4.059 0.000) 37.860 11.921 ( -2.541 -5.673 0.000) 6.217 12.541 ( 2.264 11.367 0.000) 11.590 13.146 ( 23.419 -5.231 0.000) 23.996 13.631 ( 4.656 5.305 0.000) 7.058 14.280 ( 15.527 8.097 0.000) 17.511 15.764 ( 0.012 -15.190 0.000) 15.190 16.149 ( -2.048 -16.592 0.000) 16.718 17.614 ( 2.513 -8.452 0.000) 8.818 18.750 ( 1.530 14.588 0.000) 14.668 19.759 ( -23.580 -7.293 0.000) 24.682 20.223 ( 0.820 -15.806 0.000) 15.828 22.455 ( -20.474 -0.111 0.000) 20.474 37.122 ( 14.484 2.918 0.000) 14.775 38.330 ( 14.864 -17.497 0.000) 22.958 42.344 ( -17.825 24.945 0.000) 30.660 43.395 ( -7.460 -2.016 0.000) 7.728 55.539 ( -23.875 36.806 0.000) 43.871 60.320 (-105.736 83.330 0.000) 134.626 ======================= Grid point 42 (25/420) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.947 ( 40.824 21.715 0.000) 46.240 5.337 ( 43.468 27.954 0.000) 51.681 8.064 ( 48.625 15.297 0.000) 50.974 9.461 ( 42.038 18.972 0.000) 46.120 9.918 ( -0.420 -5.586 0.000) 5.602 11.529 ( 16.150 -12.623 0.000) 20.498 12.055 ( 23.219 -7.269 0.000) 24.330 12.517 ( 2.527 15.360 0.000) 15.566 13.413 ( 8.819 -2.401 0.000) 9.140 14.021 ( 27.948 -5.113 0.000) 28.412 14.663 ( 22.040 1.531 0.000) 22.094 15.750 ( -0.818 -8.971 0.000) 9.008 16.076 ( -4.766 -21.083 0.000) 21.615 17.656 ( 1.858 2.724 0.000) 3.297 18.775 ( 0.260 10.787 0.000) 10.790 19.266 ( -25.489 -2.187 0.000) 25.583 20.208 ( -2.382 -19.983 0.000) 20.124 22.075 ( -18.718 -3.224 0.000) 18.994 37.430 ( 16.705 2.451 0.000) 16.884 38.590 ( 11.701 -16.573 0.000) 20.288 42.060 ( -11.363 22.765 0.000) 25.443 43.226 ( -9.806 -2.531 0.000) 10.127 55.059 ( -24.445 35.308 0.000) 42.945 58.557 ( -77.143 64.281 0.000) 100.415 ======================= Grid point 43 (26/420) ======================= q-point: ( 0.28 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.746 ( 40.335 13.121 0.000) 42.415 6.182 ( 42.581 15.998 0.000) 45.487 8.725 ( 22.471 -0.861 0.000) 22.487 9.798 ( -3.520 -2.348 0.000) 4.231 10.594 ( 60.124 22.577 0.000) 64.223 11.583 ( -0.658 -12.297 0.000) 12.315 12.145 ( -9.261 7.209 0.000) 11.736 13.117 ( 42.196 -14.297 0.000) 44.552 13.602 ( 11.917 -6.640 0.000) 13.642 14.544 ( 24.328 -3.319 0.000) 24.553 15.053 ( 14.390 -8.519 0.000) 16.722 15.780 ( 5.762 1.099 0.000) 5.866 16.013 ( 0.773 -20.055 0.000) 20.070 17.682 ( 0.644 9.345 0.000) 9.367 18.597 ( -22.566 -8.752 0.000) 24.204 18.946 ( -2.636 18.015 0.000) 18.206 20.132 ( -5.177 -19.368 0.000) 20.048 21.710 ( -18.875 -5.383 0.000) 19.628 37.765 ( 17.299 1.822 0.000) 17.395 38.785 ( 8.187 -13.984 0.000) 16.204 41.893 ( -5.833 18.166 0.000) 19.080 43.014 ( -11.762 -2.761 0.000) 12.082 54.610 ( -20.912 34.117 0.000) 40.015 57.227 ( -60.161 49.898 0.000) 78.161 ======================= Grid point 44 (27/420) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.507 ( 37.099 7.814 0.000) 37.913 6.990 ( 39.599 4.977 0.000) 39.910 9.025 ( 8.654 -9.378 0.000) 12.761 9.730 ( -2.503 -0.733 0.000) 2.608 11.372 ( 5.648 -1.314 0.000) 5.799 11.930 ( -3.322 7.036 0.000) 7.781 11.969 ( 43.522 4.820 0.000) 43.788 13.643 ( 12.810 -6.296 0.000) 14.274 13.975 ( 21.704 -31.625 0.000) 38.356 14.948 ( 13.081 0.328 0.000) 13.085 15.174 ( 4.377 -15.076 0.000) 15.698 15.912 ( 5.201 -4.262 0.000) 6.724 16.282 ( 27.322 -3.327 0.000) 27.524 17.673 ( -1.860 9.436 0.000) 9.618 18.115 ( -23.231 -1.374 0.000) 23.272 18.964 ( 1.792 14.971 0.000) 15.078 20.017 ( -6.175 -16.193 0.000) 17.331 21.328 ( -20.381 -5.759 0.000) 21.179 38.097 ( 16.384 1.002 0.000) 16.414 38.910 ( 4.501 -10.925 0.000) 11.816 41.825 ( -1.294 13.218 0.000) 13.281 42.771 ( -12.870 -2.568 0.000) 13.124 54.263 ( -14.045 33.362 0.000) 36.198 56.173 ( -48.025 41.320 0.000) 63.354 ======================= Grid point 45 (28/420) ======================= q-point: ( 0.39 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.183 ( 31.771 4.945 0.000) 32.153 7.708 ( 32.774 -3.350 0.000) 32.945 9.079 ( -1.674 -11.047 0.000) 11.173 9.696 ( -2.208 -7.092 0.000) 7.428 11.375 ( -0.959 -7.180 0.000) 7.244 11.726 ( -9.954 1.513 0.000) 10.069 12.979 ( 46.761 6.767 0.000) 47.248 13.843 ( 9.448 -3.347 0.000) 10.024 14.248 ( 7.452 -36.403 0.000) 37.158 14.895 ( -10.349 -7.975 0.000) 13.065 15.455 ( 16.126 -6.416 0.000) 17.355 15.991 ( 2.072 -13.874 0.000) 14.028 16.920 ( 33.985 5.110 0.000) 34.367 17.603 ( -4.975 -0.681 0.000) 5.022 17.773 ( -9.539 17.482 0.000) 19.915 18.968 ( -2.429 7.938 0.000) 8.302 19.917 ( -3.117 -10.470 0.000) 10.924 20.914 ( -21.798 -4.330 0.000) 22.224 38.398 ( 14.208 -0.058 0.000) 14.208 38.960 ( 0.626 -7.965 0.000) 7.990 41.839 ( 2.618 8.709 0.000) 9.094 42.518 ( -12.802 -1.798 0.000) 12.928 54.075 ( -4.921 33.024 0.000) 33.389 55.339 ( -37.369 36.743 0.000) 52.407 ======================= Grid point 46 (29/420) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.739 ( 24.834 3.118 0.000) 25.029 8.182 ( 12.012 -3.739 0.000) 12.580 9.073 ( 5.082 -14.397 0.000) 15.267 9.587 ( -9.830 -15.775 0.000) 18.587 11.374 ( 1.224 -5.812 0.000) 5.939 11.552 ( -7.665 -1.081 0.000) 7.741 13.701 ( 25.842 -1.907 0.000) 25.913 14.037 ( 9.077 -3.750 0.000) 9.821 14.344 ( 4.267 -26.409 0.000) 26.751 14.678 ( -10.579 -9.974 0.000) 14.540 15.689 ( 8.390 -8.838 0.000) 12.186 15.963 ( -4.827 -18.961 0.000) 19.566 17.358 ( 7.045 14.538 0.000) 16.155 17.528 ( -3.818 19.435 0.000) 19.807 17.895 ( 25.186 -2.367 0.000) 25.297 18.824 ( -13.252 -0.663 0.000) 13.268 19.934 ( 5.523 -3.444 0.000) 6.508 20.492 ( -20.660 -1.853 0.000) 20.743 38.646 ( 11.093 -1.426 0.000) 11.185 38.933 ( -3.388 -5.353 0.000) 6.335 41.925 ( 6.117 4.906 0.000) 7.842 42.278 ( -11.498 -0.336 0.000) 11.503 54.079 ( 5.416 33.046 0.000) 33.486 54.711 ( -26.868 34.489 0.000) 43.719 ======================= Grid point 47 (30/420) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.132 ( -10.933 1.041 0.000) 10.982 8.132 ( 10.933 1.041 0.000) 10.982 9.317 ( -10.052 -19.147 0.000) 21.626 9.317 ( 10.052 -19.147 0.000) 21.626 11.431 ( -2.413 -3.446 0.000) 4.207 11.431 ( 2.413 -3.446 0.000) 4.207 14.033 ( -1.414 -6.907 0.000) 7.050 14.033 ( 1.414 -6.907 0.000) 7.050 14.492 ( -4.101 -14.630 0.000) 15.194 14.492 ( 4.101 -14.630 0.000) 15.194 15.834 ( -5.610 -14.385 0.000) 15.440 15.834 ( 5.610 -14.385 0.000) 15.440 17.443 ( -0.318 19.776 0.000) 19.778 17.443 ( 0.318 19.776 0.000) 19.778 18.441 ( -25.492 -4.974 0.000) 25.973 18.441 ( 25.492 -4.974 0.000) 25.973 20.137 ( -14.027 -0.511 0.000) 14.036 20.137 ( 14.027 -0.511 0.000) 14.036 38.828 ( -2.674 -3.173 0.000) 4.150 38.828 ( 2.674 -3.173 0.000) 4.150 42.075 ( -7.622 1.889 0.000) 7.852 42.075 ( 7.622 1.889 0.000) 7.852 54.290 ( -12.032 33.455 0.000) 35.553 54.290 ( 12.032 33.455 0.000) 35.553 ======================= Grid point 57 (31/420) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.537 ( 0.000 54.595 0.000) 54.595 4.147 ( 0.000 61.474 0.000) 61.474 5.941 ( 0.000 92.583 0.000) 92.583 7.857 ( 0.000 -15.690 0.000) 15.690 9.326 ( 0.000 3.300 0.000) 3.300 10.201 ( 0.000 -3.210 0.000) 3.210 11.733 ( 0.000 -3.352 0.000) 3.352 11.982 ( 0.000 -0.791 0.000) 0.791 12.043 ( 0.000 -6.871 0.000) 6.871 13.973 ( 0.000 15.538 0.000) 15.538 14.659 ( 0.000 -28.043 0.000) 28.043 15.260 ( 0.000 4.638 0.000) 4.638 16.010 ( 0.000 -4.955 0.000) 4.955 16.869 ( 0.000 -24.299 0.000) 24.299 18.863 ( 0.000 2.155 0.000) 2.155 19.961 ( 0.000 -5.040 0.000) 5.040 20.607 ( 0.000 3.431 0.000) 3.431 23.364 ( 0.000 -7.513 0.000) 7.513 36.737 ( 0.000 4.603 0.000) 4.603 37.523 ( 0.000 -3.801 0.000) 3.801 43.321 ( 0.000 -1.734 0.000) 1.734 43.644 ( 0.000 -0.335 0.000) 0.335 57.338 ( 0.000 57.641 0.000) 57.641 66.867 ( 0.000 -63.554 0.000) 63.554 ======================= Grid point 58 (32/420) ======================= q-point: ( 0.06 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.876 ( 30.271 51.455 0.000) 59.699 4.265 ( 12.683 58.504 0.000) 59.863 6.096 ( 16.872 84.840 0.000) 86.502 8.091 ( 22.604 -14.147 0.000) 26.666 9.313 ( -0.611 1.270 0.000) 1.409 10.215 ( 1.933 -3.146 0.000) 3.692 11.854 ( 7.182 -4.124 0.000) 8.282 12.057 ( 8.773 -5.488 0.000) 10.348 12.123 ( 10.825 -1.425 0.000) 10.919 13.989 ( 1.381 15.464 0.000) 15.525 14.493 ( -13.847 -18.015 0.000) 22.722 15.343 ( 6.202 -1.929 0.000) 6.496 16.004 ( -0.777 -6.058 0.000) 6.107 16.948 ( 7.822 -23.109 0.000) 24.396 18.862 ( -0.096 0.518 0.000) 0.527 19.915 ( -4.808 -6.019 0.000) 7.703 20.549 ( -5.742 4.477 0.000) 7.281 23.214 ( -14.493 -5.819 0.000) 15.618 36.792 ( 5.572 4.540 0.000) 7.187 37.602 ( 7.722 -5.230 0.000) 9.326 43.236 ( -8.636 0.889 0.000) 8.682 43.598 ( -4.223 -0.293 0.000) 4.233 57.222 ( -11.688 56.849 0.000) 58.039 65.903 ( -90.742 -34.966 0.000) 97.246 ======================= Grid point 59 (33/420) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.438 ( 23.751 48.974 0.000) 54.429 4.726 ( 33.561 51.547 0.000) 61.509 6.648 ( 39.784 62.674 0.000) 74.235 8.642 ( 30.162 -6.831 0.000) 30.926 9.347 ( 5.464 -7.645 0.000) 9.397 10.318 ( 10.369 -3.103 0.000) 10.823 11.856 ( -3.950 -5.923 0.000) 7.119 12.367 ( 16.117 -5.112 0.000) 16.909 12.491 ( 27.897 0.014 0.000) 27.897 13.976 ( -6.180 13.559 0.000) 14.901 14.267 ( -4.023 -6.210 0.000) 7.399 15.448 ( 4.256 -5.926 0.000) 7.296 15.971 ( -2.819 -8.534 0.000) 8.987 17.155 ( 12.761 -18.433 0.000) 22.419 18.853 ( -1.213 -4.876 0.000) 5.024 19.768 ( -10.265 -6.721 0.000) 12.270 20.402 ( -8.559 6.531 0.000) 10.766 22.846 ( -21.733 -3.574 0.000) 22.025 36.950 ( 10.442 4.348 0.000) 11.311 37.805 ( 12.407 -8.059 0.000) 14.795 43.000 ( -14.688 7.014 0.000) 16.277 43.494 ( -6.316 -1.137 0.000) 6.417 56.896 ( -21.007 54.672 0.000) 58.569 63.748 (-119.309 10.616 0.000) 119.780 ======================= Grid point 60 (34/420) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.916 ( 26.327 40.318 0.000) 48.152 5.384 ( 32.435 47.669 0.000) 57.658 7.563 ( 48.836 35.476 0.000) 60.361 9.167 ( 25.179 8.302 0.000) 26.512 9.535 ( 11.479 -18.078 0.000) 21.414 10.704 ( 29.710 -8.490 0.000) 30.900 11.764 ( -4.455 -7.712 0.000) 8.907 12.634 ( 10.115 -0.719 0.000) 10.141 13.093 ( 30.774 -0.567 0.000) 30.779 13.783 ( -8.079 8.674 0.000) 11.853 14.366 ( 10.875 -1.225 0.000) 10.944 15.513 ( 2.619 -5.952 0.000) 6.502 15.896 ( -4.410 -9.829 0.000) 10.773 17.420 ( 13.573 -10.554 0.000) 17.193 18.792 ( -5.929 -16.087 0.000) 17.145 19.531 ( -12.759 -0.210 0.000) 12.761 20.237 ( -7.990 6.417 0.000) 10.248 22.406 ( -22.604 -3.845 0.000) 22.929 37.192 ( 14.061 4.012 0.000) 14.622 38.065 ( 13.681 -10.081 0.000) 16.994 42.696 ( -15.537 11.776 0.000) 19.496 43.351 ( -8.324 -2.283 0.000) 8.632 56.427 ( -26.245 51.615 0.000) 57.904 61.504 (-106.749 34.061 0.000) 112.051 ======================= Grid point 61 (35/420) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.470 ( 29.981 30.002 0.000) 42.414 6.003 ( 31.175 38.274 0.000) 49.364 8.337 ( 27.299 10.574 0.000) 29.276 9.614 ( 8.552 -10.638 0.000) 13.650 9.933 ( 43.812 12.929 0.000) 45.680 11.277 ( 17.134 -12.752 0.000) 21.358 11.797 ( 14.587 -15.731 0.000) 21.453 12.737 ( 1.586 4.866 0.000) 5.118 13.485 ( 6.459 8.917 0.000) 11.011 13.918 ( 24.615 -4.366 0.000) 24.999 14.612 ( 12.283 -8.429 0.000) 14.897 15.576 ( 5.236 -2.820 0.000) 5.947 15.823 ( -2.477 -7.316 0.000) 7.724 17.659 ( 10.137 -2.435 0.000) 10.425 18.586 ( -14.974 -27.872 0.000) 31.639 19.330 ( -6.842 11.141 0.000) 13.074 20.093 ( -6.789 4.013 0.000) 7.887 21.976 ( -21.336 -5.949 0.000) 22.149 37.490 ( 16.108 3.508 0.000) 16.486 38.325 ( 12.622 -10.541 0.000) 16.445 42.414 ( -13.020 13.209 0.000) 18.547 43.168 ( -10.354 -3.164 0.000) 10.826 55.901 ( -26.731 48.283 0.000) 55.189 59.623 ( -85.603 39.294 0.000) 94.190 ======================= Grid point 62 (36/420) ======================= q-point: ( 0.28 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.076 ( 31.666 20.004 0.000) 37.455 6.606 ( 30.281 26.249 0.000) 40.074 8.688 ( 11.273 -3.711 0.000) 11.868 9.674 ( 0.173 -8.843 0.000) 8.845 10.989 ( 57.380 9.737 0.000) 58.200 11.326 ( -3.630 -7.798 0.000) 8.601 12.123 ( 5.335 -11.751 0.000) 12.905 12.883 ( 18.151 -6.751 0.000) 19.366 13.581 ( 5.061 4.677 0.000) 6.891 14.461 ( 27.742 -5.052 0.000) 28.198 14.766 ( 2.634 -18.986 0.000) 19.168 15.789 ( 9.478 -3.022 0.000) 9.948 15.817 ( 9.957 2.822 0.000) 10.349 17.772 ( -0.296 -1.978 0.000) 2.000 18.288 ( -12.091 -19.459 0.000) 22.909 19.247 ( -2.649 12.315 0.000) 12.597 19.970 ( -5.785 2.104 0.000) 6.155 21.569 ( -20.352 -8.057 0.000) 21.889 37.811 ( 16.499 2.800 0.000) 16.735 38.549 ( 10.177 -9.755 0.000) 14.097 42.195 ( -9.220 12.087 0.000) 15.203 42.949 ( -11.866 -3.606 0.000) 12.402 55.410 ( -22.806 45.162 0.000) 50.594 58.136 ( -67.109 38.172 0.000) 77.205 ======================= Grid point 63 (37/420) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.696 ( 31.434 11.427 0.000) 33.446 7.179 ( 28.062 14.207 0.000) 31.454 8.832 ( 3.919 -10.404 0.000) 11.117 9.635 ( -4.371 -7.988 0.000) 9.106 11.247 ( -2.900 -11.121 0.000) 11.493 11.923 ( 9.731 -6.368 0.000) 11.630 12.175 ( 30.407 11.678 0.000) 32.572 13.289 ( 18.321 -26.304 0.000) 32.055 13.682 ( 5.514 1.007 0.000) 5.605 14.751 ( -2.868 -20.050 0.000) 20.254 14.971 ( 23.875 -3.559 0.000) 24.139 15.784 ( -2.785 -7.648 0.000) 8.140 16.324 ( 32.377 6.394 0.000) 33.002 17.654 ( -8.032 -9.303 0.000) 12.290 18.175 ( -1.634 5.006 0.000) 5.266 19.190 ( -3.993 8.213 0.000) 9.132 19.873 ( -3.727 1.826 0.000) 4.150 21.175 ( -20.087 -8.984 0.000) 22.005 38.125 ( 15.343 1.851 0.000) 15.454 38.717 ( 6.875 -8.249 0.000) 10.738 42.055 ( -5.123 9.636 0.000) 10.914 42.710 ( -12.375 -3.454 0.000) 12.848 55.031 ( -15.461 42.499 0.000) 45.224 56.975 ( -52.080 36.517 0.000) 63.606 ======================= Grid point 64 (38/420) ======================= q-point: ( 0.39 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.291 ( 29.028 5.674 0.000) 29.577 7.693 ( 24.162 2.958 0.000) 24.342 8.852 ( -1.589 -11.855 0.000) 11.961 9.492 ( -10.433 -12.675 0.000) 16.417 11.223 ( 0.608 -8.404 0.000) 8.426 11.773 ( -10.984 2.767 0.000) 11.327 12.928 ( 31.932 -13.727 0.000) 34.757 13.551 ( 9.357 -30.132 0.000) 31.552 13.830 ( 10.081 1.256 0.000) 10.159 14.672 ( -5.420 -12.389 0.000) 13.523 15.366 ( 15.682 -3.817 0.000) 16.140 15.687 ( -5.976 -15.757 0.000) 16.852 17.018 ( 37.208 5.818 0.000) 37.660 17.577 ( 1.064 -0.799 0.000) 1.330 18.136 ( -3.416 15.385 0.000) 15.760 19.064 ( -9.532 3.681 0.000) 10.218 19.841 ( 0.775 1.941 0.000) 2.090 20.784 ( -19.744 -8.228 0.000) 21.390 38.403 ( 12.884 0.631 0.000) 12.900 38.815 ( 3.018 -6.415 0.000) 7.089 41.995 ( -1.045 6.714 0.000) 6.795 42.474 ( -11.602 -2.601 0.000) 11.890 54.820 ( -5.906 40.330 0.000) 40.760 56.085 ( -39.215 35.880 0.000) 53.152 ======================= Grid point 65 (39/420) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.809 ( 23.071 3.357 0.000) 23.314 8.092 ( 14.682 -4.349 0.000) 15.312 8.804 ( -1.213 -12.363 0.000) 12.422 9.232 ( -15.714 -18.806 0.000) 24.507 11.270 ( 4.203 -4.633 0.000) 6.256 11.563 ( -10.121 2.391 0.000) 10.399 13.377 ( 15.914 -32.523 0.000) 36.208 13.677 ( 2.407 -29.304 0.000) 29.403 14.056 ( 12.355 -1.209 0.000) 12.414 14.523 ( -9.969 -4.233 0.000) 10.830 15.559 ( 4.244 -5.813 0.000) 7.197 15.626 ( 0.775 -14.764 0.000) 14.784 17.657 ( 12.265 16.011 0.000) 20.169 17.750 ( 30.218 -1.242 0.000) 30.243 18.030 ( -7.045 17.126 0.000) 18.518 18.799 ( -17.857 0.939 0.000) 17.882 19.914 ( 6.881 0.459 0.000) 6.896 20.414 ( -17.689 -5.813 0.000) 18.620 38.622 ( 9.455 -0.863 0.000) 9.494 38.833 ( -1.166 -4.483 0.000) 4.632 42.013 ( 2.900 3.795 0.000) 4.777 42.265 ( -9.565 -1.037 0.000) 9.621 54.808 ( 4.806 38.584 0.000) 38.883 55.434 ( -27.397 36.223 0.000) 45.417 ======================= Grid point 66 (40/420) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.147 ( -5.819 0.355 0.000) 5.830 8.147 ( 5.819 0.355 0.000) 5.830 8.922 ( -6.712 -19.331 0.000) 20.463 8.922 ( 6.712 -19.331 0.000) 20.463 11.387 ( -5.922 -0.751 0.000) 5.970 11.387 ( 5.922 -0.751 0.000) 5.970 13.614 ( -1.920 -34.694 0.000) 34.747 13.614 ( 1.920 -34.694 0.000) 34.747 14.298 ( -2.585 -2.253 0.000) 3.429 14.298 ( 2.585 -2.253 0.000) 3.429 15.621 ( -0.326 -8.774 0.000) 8.780 15.621 ( 0.326 -8.774 0.000) 8.780 17.850 ( -1.593 18.260 0.000) 18.329 17.850 ( 1.593 18.260 0.000) 18.329 18.359 ( -26.802 -0.509 0.000) 26.806 18.359 ( 26.802 -0.509 0.000) 26.806 20.110 ( -10.630 -2.489 0.000) 10.917 20.110 ( 10.630 -2.489 0.000) 10.917 38.769 ( -1.491 -2.595 0.000) 2.993 38.769 ( 1.491 -2.595 0.000) 2.993 42.106 ( -4.939 1.147 0.000) 5.071 42.106 ( 4.939 1.147 0.000) 5.071 55.010 ( -11.521 37.200 0.000) 38.943 55.010 ( 11.521 37.200 0.000) 38.943 ======================= Grid point 76 (41/420) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.572 ( 0.000 49.087 0.000) 49.087 5.314 ( 0.000 55.728 0.000) 55.728 7.487 ( 0.000 -21.490 0.000) 21.490 7.656 ( 0.000 77.821 0.000) 77.821 8.942 ( 0.000 -32.320 0.000) 32.320 10.309 ( 0.000 4.509 0.000) 4.509 11.672 ( 0.000 -2.598 0.000) 2.598 11.962 ( 0.000 -1.132 0.000) 1.132 12.027 ( 0.000 5.946 0.000) 5.946 13.990 ( 0.000 -26.576 0.000) 26.576 14.446 ( 0.000 18.998 0.000) 18.998 15.354 ( 0.000 4.636 0.000) 4.636 15.909 ( 0.000 -5.026 0.000) 5.026 16.423 ( 0.000 -20.670 0.000) 20.670 18.749 ( 0.000 -11.272 0.000) 11.272 19.962 ( 0.000 4.378 0.000) 4.378 20.608 ( 0.000 -3.408 0.000) 3.408 23.234 ( 0.000 -5.206 0.000) 5.206 36.833 ( 0.000 4.924 0.000) 4.924 37.442 ( 0.000 -4.234 0.000) 4.234 43.291 ( 0.000 -1.187 0.000) 1.187 43.634 ( 0.000 -0.560 0.000) 0.560 58.641 ( 0.000 72.558 0.000) 72.558 65.451 ( 0.000 -77.759 0.000) 77.759 ======================= Grid point 77 (42/420) ======================= q-point: ( 0.06 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.863 ( 26.989 47.150 0.000) 54.328 5.384 ( 7.828 53.726 0.000) 54.293 7.596 ( 7.759 36.124 0.000) 36.948 7.827 ( 20.333 14.924 0.000) 25.223 8.949 ( 1.115 -29.933 0.000) 29.954 10.279 ( -2.218 2.035 0.000) 3.010 11.810 ( 10.118 -0.795 0.000) 10.150 11.990 ( 3.402 0.218 0.000) 3.409 12.143 ( 13.584 3.314 0.000) 13.983 13.969 ( -2.236 -27.059 0.000) 27.151 14.403 ( -3.524 20.876 0.000) 21.172 15.390 ( 3.272 4.258 0.000) 5.370 15.883 ( -2.579 -5.968 0.000) 6.501 16.534 ( 10.861 -18.777 0.000) 21.692 18.705 ( -4.604 -13.518 0.000) 14.280 19.922 ( -3.976 5.123 0.000) 6.485 20.568 ( -3.905 -2.428 0.000) 4.598 23.108 ( -12.487 -4.405 0.000) 13.241 36.887 ( 5.466 4.888 0.000) 7.333 37.503 ( 6.094 -4.739 0.000) 7.720 43.238 ( -5.413 -0.287 0.000) 5.421 43.590 ( -4.353 -0.493 0.000) 4.381 58.502 ( -13.938 71.028 0.000) 72.382 64.882 ( -55.453 -64.142 0.000) 84.789 ======================= Grid point 78 (43/420) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.391 ( 20.061 45.878 0.000) 50.072 5.726 ( 30.227 48.501 0.000) 57.149 7.799 ( 14.299 48.243 0.000) 50.317 8.399 ( 34.749 -15.838 0.000) 38.188 9.021 ( 7.747 -20.941 0.000) 22.328 10.271 ( 2.877 -4.680 0.000) 5.494 11.834 ( -4.446 4.425 0.000) 6.273 12.251 ( 17.994 -5.372 0.000) 18.779 12.536 ( 26.000 3.624 0.000) 26.251 13.901 ( -4.494 -22.390 0.000) 22.836 14.351 ( -0.886 19.315 0.000) 19.336 15.465 ( 4.253 4.539 0.000) 6.220 15.812 ( -4.508 -7.103 0.000) 8.413 16.823 ( 17.989 -15.109 0.000) 23.493 18.562 ( -10.217 -19.643 0.000) 22.141 19.816 ( -6.564 7.416 0.000) 9.903 20.465 ( -6.263 0.028 0.000) 6.263 22.775 ( -20.715 -3.132 0.000) 20.951 37.042 ( 10.218 4.772 0.000) 11.277 37.669 ( 10.558 -5.845 0.000) 12.067 43.084 ( -10.104 2.281 0.000) 10.358 43.473 ( -7.368 -0.909 0.000) 7.424 58.115 ( -24.934 66.853 0.000) 71.352 63.455 ( -85.338 -35.456 0.000) 92.410 ======================= Grid point 79 (44/420) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.732 ( 17.677 40.739 0.000) 44.408 6.352 ( 29.093 48.483 0.000) 56.542 8.134 ( 17.338 17.222 0.000) 24.438 9.039 ( 27.192 -14.449 0.000) 30.792 9.337 ( 26.559 -5.206 0.000) 27.064 10.459 ( 18.109 -16.066 0.000) 24.209 11.723 ( -6.195 4.846 0.000) 7.865 12.557 ( 12.249 -5.930 0.000) 13.609 13.114 ( 31.446 2.411 0.000) 31.538 13.818 ( -3.055 -9.452 0.000) 9.934 14.376 ( 2.962 9.027 0.000) 9.500 15.558 ( 5.439 7.562 0.000) 9.314 15.720 ( -4.173 -7.942 0.000) 8.971 17.205 ( 20.114 -10.863 0.000) 22.860 18.303 ( -16.003 -26.743 0.000) 31.166 19.682 ( -6.669 10.069 0.000) 12.077 20.335 ( -6.862 2.828 0.000) 7.422 22.332 ( -23.766 -3.102 0.000) 23.967 37.278 ( 13.687 4.544 0.000) 14.421 37.901 ( 12.710 -6.785 0.000) 14.408 42.858 ( -12.573 5.240 0.000) 13.621 43.307 ( -9.512 -2.005 0.000) 9.721 57.559 ( -30.991 61.051 0.000) 68.466 61.718 ( -88.873 -10.197 0.000) 89.456 ======================= Grid point 80 (45/420) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.108 ( 20.630 33.245 0.000) 39.126 6.834 ( 21.077 44.406 0.000) 49.154 8.396 ( 9.401 -7.165 0.000) 11.820 9.412 ( 11.386 -4.410 0.000) 12.210 10.023 ( 39.854 -8.533 0.000) 40.758 10.966 ( 30.553 -19.856 0.000) 36.438 11.632 ( -1.255 3.283 0.000) 3.515 12.720 ( 4.931 -5.212 0.000) 7.175 13.656 ( 15.308 5.293 0.000) 16.197 13.865 ( 15.684 -2.243 0.000) 15.843 14.428 ( 1.211 -4.148 0.000) 4.321 15.663 ( 2.860 1.762 0.000) 3.359 15.716 ( 7.554 3.027 0.000) 8.138 17.561 ( 13.449 -7.644 0.000) 15.470 17.981 ( -13.550 -28.573 0.000) 31.623 19.563 ( -5.549 10.641 0.000) 12.001 20.203 ( -6.455 5.155 0.000) 8.261 21.867 ( -23.519 -4.505 0.000) 23.946 37.567 ( 15.538 4.153 0.000) 16.084 38.153 ( 12.727 -7.094 0.000) 14.571 42.610 ( -12.426 7.027 0.000) 14.275 43.104 ( -11.194 -3.126 0.000) 11.622 56.939 ( -31.519 54.727 0.000) 63.154 60.068 ( -78.625 5.546 0.000) 78.820 ======================= Grid point 81 (46/420) ======================= q-point: ( 0.28 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.530 ( 22.349 25.140 0.000) 33.638 7.209 ( 17.817 33.727 0.000) 38.144 8.530 ( 4.852 -13.241 0.000) 14.102 9.529 ( 1.279 -3.589 0.000) 3.810 10.662 ( 20.119 -31.432 0.000) 37.320 11.521 ( 23.697 14.678 0.000) 27.875 11.790 ( 20.098 -16.891 0.000) 26.253 12.789 ( 3.075 -5.261 0.000) 6.093 13.742 ( 0.891 9.370 0.000) 9.412 14.328 ( 14.970 -9.236 0.000) 17.590 14.449 ( 10.382 -8.742 0.000) 13.573 15.706 ( 0.572 -4.511 0.000) 4.547 15.992 ( 20.457 12.192 0.000) 23.814 17.524 ( -10.441 -20.823 0.000) 23.294 18.020 ( 12.133 -6.651 0.000) 13.837 19.460 ( -5.188 9.257 0.000) 10.612 20.084 ( -5.658 6.586 0.000) 8.683 21.419 ( -22.165 -6.361 0.000) 23.060 37.875 ( 15.682 3.535 0.000) 16.076 38.388 ( 11.087 -6.720 0.000) 12.964 42.384 ( -10.381 7.225 0.000) 12.648 42.874 ( -12.121 -3.787 0.000) 12.699 56.359 ( -27.153 48.684 0.000) 55.745 58.668 ( -64.369 14.354 0.000) 65.950 ======================= Grid point 82 (47/420) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.973 ( 22.787 16.521 0.000) 28.146 7.541 ( 16.089 21.311 0.000) 26.702 8.596 ( 2.055 -13.484 0.000) 13.639 9.465 ( -8.000 -7.783 0.000) 11.161 10.867 ( 5.824 -27.528 0.000) 28.137 11.809 ( 6.625 -1.619 0.000) 6.820 12.313 ( 24.862 -0.379 0.000) 24.865 12.863 ( 5.297 -15.852 0.000) 16.713 13.757 ( 1.775 5.007 0.000) 5.312 14.385 ( 3.185 -14.140 0.000) 14.495 14.884 ( 22.109 -5.503 0.000) 22.783 15.631 ( -8.336 -6.956 0.000) 10.857 16.500 ( 30.482 10.278 0.000) 32.168 17.424 ( 1.880 -11.840 0.000) 11.989 18.233 ( 8.379 0.809 0.000) 8.418 19.352 ( -6.073 8.534 0.000) 10.475 19.984 ( -4.584 6.397 0.000) 7.870 20.999 ( -20.805 -7.884 0.000) 22.249 38.170 ( 14.243 2.636 0.000) 14.485 38.579 ( 8.263 -5.821 0.000) 10.107 42.211 ( -7.231 6.195 0.000) 9.522 42.637 ( -11.905 -3.752 0.000) 12.482 55.901 ( -19.196 43.320 0.000) 47.382 57.548 ( -50.263 19.794 0.000) 54.020 ======================= Grid point 83 (48/420) ======================= q-point: ( 0.39 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.416 ( 22.403 7.495 0.000) 23.623 7.836 ( 13.922 10.609 0.000) 17.503 8.610 ( -0.711 -12.160 0.000) 12.180 9.225 ( -15.857 -13.393 0.000) 20.756 10.993 ( 7.747 -15.879 0.000) 17.669 11.823 ( -4.730 2.628 0.000) 5.411 12.575 ( 5.167 -15.726 0.000) 16.553 13.018 ( 7.369 -25.680 0.000) 26.717 13.845 ( 7.421 -0.919 0.000) 7.478 14.492 ( 5.615 -4.235 0.000) 7.033 15.222 ( 10.707 -12.701 0.000) 16.612 15.458 ( -5.173 -4.559 0.000) 6.896 17.130 ( 32.007 4.222 0.000) 32.284 17.592 ( 14.612 2.414 0.000) 14.810 18.326 ( 0.970 4.662 0.000) 4.762 19.211 ( -8.833 11.193 0.000) 14.259 19.913 ( -2.296 3.616 0.000) 4.284 20.608 ( -19.045 -8.851 0.000) 21.002 38.424 ( 11.501 1.442 0.000) 11.591 38.706 ( 4.652 -4.580 0.000) 6.528 42.105 ( -3.519 4.457 0.000) 5.678 42.417 ( -10.390 -2.966 0.000) 10.805 55.622 ( -9.068 38.703 0.000) 39.751 56.694 ( -37.284 23.912 0.000) 44.293 ======================= Grid point 84 (49/420) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.840 ( 20.321 -0.429 0.000) 20.326 8.072 ( 9.525 3.173 0.000) 10.039 8.575 ( -2.359 -10.879 0.000) 11.132 8.879 ( -18.420 -15.863 0.000) 24.309 11.172 ( 10.468 -5.955 0.000) 12.043 11.648 ( -12.026 5.933 0.000) 13.409 12.690 ( 8.158 -30.696 0.000) 31.762 13.043 ( -4.687 -32.654 0.000) 32.989 14.034 ( 11.351 -2.715 0.000) 11.671 14.485 ( -7.328 -1.035 0.000) 7.401 15.338 ( 6.375 -12.169 0.000) 13.738 15.488 ( 2.786 -2.491 0.000) 3.738 17.659 ( 20.915 -4.668 0.000) 21.430 17.974 ( 20.583 9.810 0.000) 22.801 18.291 ( -1.350 11.308 0.000) 11.388 18.979 ( -15.630 16.855 0.000) 22.987 19.912 ( 2.659 -1.387 0.000) 2.999 20.268 ( -15.246 -8.644 0.000) 17.526 38.614 ( 7.844 0.005 0.000) 7.844 38.758 ( 0.576 -3.128 0.000) 3.180 42.074 ( 0.407 2.414 0.000) 2.448 42.239 ( -7.724 -1.531 0.000) 7.874 55.553 ( 2.078 34.698 0.000) 34.761 56.084 ( -25.206 27.555 0.000) 37.344 ======================= Grid point 85 (50/420) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.137 ( -3.764 -1.646 0.000) 4.108 8.137 ( 3.764 -1.646 0.000) 4.109 8.589 ( -2.880 -13.256 0.000) 13.565 8.589 ( 2.880 -13.256 0.000) 13.565 11.399 ( -10.973 1.604 0.000) 11.089 11.399 ( 10.973 1.604 0.000) 11.089 12.882 ( -3.991 -34.759 0.000) 34.987 12.882 ( 3.991 -34.759 0.000) 34.987 14.272 ( -3.027 -2.375 0.000) 3.847 14.272 ( 3.027 -2.375 0.000) 3.847 15.468 ( -1.358 -6.062 0.000) 6.213 15.468 ( 1.358 -6.062 0.000) 6.213 17.985 ( -5.921 -3.011 0.000) 6.643 17.985 ( 5.921 -3.011 0.000) 6.643 18.591 ( -17.471 21.626 0.000) 27.801 18.591 ( 17.471 21.626 0.000) 27.801 20.027 ( -5.228 -6.039 0.000) 7.988 20.027 ( 5.228 -6.039 0.000) 7.988 38.727 ( -0.915 -1.562 0.000) 1.810 38.727 ( 0.915 -1.562 0.000) 1.810 42.120 ( -3.086 0.341 0.000) 3.105 42.120 ( 3.086 0.341 0.000) 3.105 55.705 ( -10.057 31.068 0.000) 32.656 55.705 ( 10.057 31.068 0.000) 32.656 ======================= Grid point 95 (51/420) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.477 ( 0.000 41.122 0.000) 41.122 6.368 ( 0.000 50.123 0.000) 50.123 7.003 ( 0.000 -26.728 0.000) 26.728 8.178 ( 0.000 -39.408 0.000) 39.408 8.995 ( 0.000 50.177 0.000) 50.177 10.285 ( 0.000 -5.315 0.000) 5.315 11.632 ( 0.000 -1.402 0.000) 1.402 11.941 ( 0.000 -0.823 0.000) 0.823 12.242 ( 0.000 14.251 0.000) 14.251 13.404 ( 0.000 -29.072 0.000) 29.072 14.903 ( 0.000 23.091 0.000) 23.091 15.437 ( 0.000 3.459 0.000) 3.459 15.819 ( 0.000 -3.728 0.000) 3.728 16.031 ( 0.000 -18.627 0.000) 18.627 18.529 ( 0.000 -8.777 0.000) 8.777 20.070 ( 0.000 5.178 0.000) 5.178 20.501 ( 0.000 -6.073 0.000) 6.073 23.160 ( 0.000 -2.336 0.000) 2.336 36.923 ( 0.000 3.788 0.000) 3.788 37.363 ( 0.000 -3.392 0.000) 3.392 43.274 ( 0.000 -0.581 0.000) 0.581 43.624 ( 0.000 -0.411 0.000) 0.411 60.189 ( 0.000 81.282 0.000) 81.282 63.819 ( 0.000 -84.313 0.000) 84.313 ======================= Grid point 96 (52/420) ======================= q-point: ( 0.06 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.730 ( 23.859 38.960 0.000) 45.686 6.396 ( 4.307 47.239 0.000) 47.435 7.285 ( 27.107 -22.996 0.000) 35.547 8.179 ( -0.102 -36.055 0.000) 36.055 8.959 ( -2.337 43.107 0.000) 43.170 10.224 ( -5.304 -5.915 0.000) 7.945 11.793 ( 14.581 -0.700 0.000) 14.598 12.012 ( 4.479 0.487 0.000) 4.505 12.305 ( 8.903 12.973 0.000) 15.733 13.402 ( 0.037 -27.817 0.000) 27.817 14.858 ( -3.965 22.684 0.000) 23.028 15.450 ( 1.133 -0.053 0.000) 1.134 15.785 ( -2.170 -2.780 0.000) 3.527 16.191 ( 14.505 -15.250 0.000) 21.046 18.447 ( -8.297 -10.226 0.000) 13.169 20.041 ( -2.924 5.469 0.000) 6.202 20.481 ( -1.989 -5.177 0.000) 5.546 23.045 ( -11.494 -1.984 0.000) 11.664 36.977 ( 5.432 3.791 0.000) 6.624 37.418 ( 5.487 -3.579 0.000) 6.551 43.232 ( -4.270 -0.285 0.000) 4.279 43.581 ( -4.350 -0.377 0.000) 4.366 60.009 ( -18.050 78.579 0.000) 80.625 63.453 ( -36.216 -76.747 0.000) 84.863 ======================= Grid point 97 (53/420) ======================= q-point: ( 0.11 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.226 ( 19.865 36.302 0.000) 41.382 6.645 ( 25.181 43.402 0.000) 50.178 7.983 ( 41.354 -19.614 0.000) 45.770 8.161 ( -1.355 -22.972 0.000) 23.012 8.979 ( 6.434 21.959 0.000) 22.882 10.122 ( -4.106 -8.597 0.000) 9.527 11.981 ( -1.278 8.182 0.000) 8.282 12.167 ( 15.834 -3.052 0.000) 16.125 12.643 ( 24.056 7.733 0.000) 25.268 13.422 ( 2.606 -23.628 0.000) 23.771 14.773 ( -4.343 21.567 0.000) 22.000 15.474 ( 1.215 -7.029 0.000) 7.133 15.754 ( -0.616 3.070 0.000) 3.131 16.551 ( 21.418 -11.796 0.000) 24.452 18.209 ( -15.863 -13.738 0.000) 20.985 19.961 ( -5.003 6.062 0.000) 7.860 20.427 ( -3.333 -2.931 0.000) 4.438 22.730 ( -20.034 -1.362 0.000) 20.080 37.131 ( 10.126 3.789 0.000) 10.812 37.570 ( 9.788 -4.010 0.000) 10.578 43.110 ( -7.995 0.640 0.000) 8.021 43.459 ( -7.997 -0.538 0.000) 8.015 59.510 ( -31.983 71.328 0.000) 78.170 62.485 ( -60.152 -58.535 0.000) 83.933 ======================= Grid point 98 (54/420) ======================= q-point: ( 0.17 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.507 ( 12.557 36.055 0.000) 38.179 7.256 ( 30.837 38.786 0.000) 49.551 8.094 ( -3.179 -14.432 0.000) 14.778 8.820 ( 38.022 -16.774 0.000) 41.557 9.274 ( 24.250 5.250 0.000) 24.812 10.113 ( 5.613 -16.934 0.000) 17.840 11.912 ( -4.280 11.460 0.000) 12.233 12.440 ( 10.641 -4.980 0.000) 11.749 13.175 ( 28.814 3.682 0.000) 29.048 13.525 ( 8.208 -15.721 0.000) 17.734 14.684 ( -5.351 18.188 0.000) 18.959 15.494 ( 1.048 -11.143 0.000) 11.192 15.787 ( 4.693 9.789 0.000) 10.856 16.997 ( 23.223 -9.403 0.000) 25.054 17.847 ( -20.083 -17.178 0.000) 26.428 19.852 ( -6.037 6.286 0.000) 8.716 20.355 ( -4.005 -0.283 0.000) 4.015 22.290 ( -24.277 -1.228 0.000) 24.308 37.364 ( 13.487 3.744 0.000) 13.997 37.788 ( 12.242 -4.414 0.000) 13.014 42.927 ( -10.519 2.021 0.000) 10.712 43.275 ( -10.635 -1.202 0.000) 10.702 58.801 ( -39.333 61.533 0.000) 73.030 61.205 ( -68.284 -38.202 0.000) 78.243 ======================= Grid point 99 (55/420) ======================= q-point: ( 0.22 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.767 ( 14.157 32.265 0.000) 35.234 7.729 ( 16.319 42.618 0.000) 45.636 8.064 ( 1.416 -21.574 0.000) 21.620 9.387 ( 20.771 -12.074 0.000) 24.025 9.699 ( 12.516 -9.206 0.000) 15.537 10.541 ( 39.846 -20.806 0.000) 44.951 11.847 ( -1.658 13.757 0.000) 13.856 12.583 ( 4.667 -7.347 0.000) 8.704 13.648 ( 14.034 -5.603 0.000) 15.111 13.808 ( 24.735 -0.950 0.000) 24.754 14.531 ( -10.891 10.578 0.000) 15.183 15.544 ( 4.458 -7.060 0.000) 8.350 15.949 ( 11.769 12.233 0.000) 16.975 17.312 ( -4.417 -16.375 0.000) 16.960 17.588 ( 7.962 -9.692 0.000) 12.543 19.730 ( -6.306 5.873 0.000) 8.617 20.272 ( -4.458 1.817 0.000) 4.814 21.805 ( -24.845 -1.779 0.000) 24.908 37.647 ( 15.156 3.593 0.000) 15.576 38.036 ( 12.768 -4.567 0.000) 13.560 42.710 ( -11.362 3.281 0.000) 11.826 43.050 ( -12.195 -2.158 0.000) 12.384 58.017 ( -39.791 51.227 0.000) 64.866 59.891 ( -64.681 -21.158 0.000) 68.054 ======================= Grid point 100 (56/420) ======================= q-point: ( 0.28 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.056 ( 15.123 27.049 0.000) 30.990 7.891 ( 2.901 28.661 0.000) 28.808 8.183 ( 8.849 -16.122 0.000) 18.391 9.550 ( -4.167 4.138 0.000) 5.872 9.951 ( 16.036 -36.637 0.000) 39.993 11.408 ( 42.491 -14.656 0.000) 44.947 11.861 ( 3.418 13.176 0.000) 13.612 12.644 ( 1.668 -8.722 0.000) 8.881 13.852 ( 7.997 0.695 0.000) 8.028 14.238 ( -3.521 2.190 0.000) 4.147 14.360 ( 15.819 -2.570 0.000) 16.026 15.620 ( 0.724 -3.701 0.000) 3.771 16.248 ( 19.146 12.300 0.000) 22.756 17.118 ( -4.779 -17.479 0.000) 18.121 17.930 ( 18.282 -3.229 0.000) 18.565 19.610 ( -5.871 5.450 0.000) 8.011 20.179 ( -5.105 2.693 0.000) 5.772 21.330 ( -23.557 -2.613 0.000) 23.701 37.945 ( 15.039 3.251 0.000) 15.387 38.277 ( 11.623 -4.374 0.000) 12.418 42.493 ( -10.503 3.874 0.000) 11.194 42.805 ( -12.549 -2.895 0.000) 12.878 57.282 ( -34.576 41.775 0.000) 54.228 58.713 ( -55.124 -8.493 0.000) 55.774 ======================= Grid point 101 (57/420) ======================= q-point: ( 0.33 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.346 ( 14.232 20.456 0.000) 24.920 7.941 ( 3.337 11.983 0.000) 12.439 8.336 ( 6.111 -7.176 0.000) 9.425 9.334 ( -16.115 -6.613 0.000) 17.419 10.282 ( 17.542 -25.953 0.000) 31.326 11.866 ( 4.826 5.301 0.000) 7.169 12.155 ( 22.764 -11.180 0.000) 25.361 12.636 ( -2.867 -8.782 0.000) 9.238 13.847 ( -7.419 3.563 0.000) 8.230 14.236 ( 11.942 -1.430 0.000) 12.027 14.755 ( 16.112 -6.833 0.000) 17.501 15.529 ( -8.065 -3.176 0.000) 8.668 16.692 ( 25.196 8.046 0.000) 26.450 17.224 ( 15.074 -7.661 0.000) 16.909 18.231 ( 11.977 -0.472 0.000) 11.987 19.507 ( -4.405 6.212 0.000) 7.615 20.072 ( -5.850 2.215 0.000) 6.255 20.883 ( -22.270 -3.600 0.000) 22.559 38.225 ( 13.289 2.641 0.000) 13.549 38.482 ( 9.188 -3.831 0.000) 9.955 42.308 ( -8.266 3.643 0.000) 9.034 42.567 ( -11.575 -3.041 0.000) 11.967 56.689 ( -25.504 33.806 0.000) 42.348 57.746 ( -43.646 0.676 0.000) 43.651 ======================= Grid point 102 (58/420) ======================= q-point: ( 0.39 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.604 ( 12.121 10.995 0.000) 16.365 8.039 ( 6.663 5.720 0.000) 8.781 8.412 ( 1.467 -4.465 0.000) 4.700 8.970 ( -19.925 -12.251 0.000) 23.390 10.640 ( 19.114 -16.161 0.000) 25.030 11.913 ( -0.032 6.843 0.000) 6.843 12.335 ( -4.372 -11.436 0.000) 12.243 12.567 ( -2.719 -16.336 0.000) 16.560 13.790 ( 3.184 -3.428 0.000) 4.678 14.512 ( 9.935 5.399 0.000) 11.307 14.932 ( 5.086 -14.524 0.000) 15.388 15.441 ( 0.761 0.817 0.000) 1.116 17.173 ( 22.850 0.635 0.000) 22.858 17.644 ( 25.312 1.923 0.000) 25.385 18.394 ( 5.466 3.074 0.000) 6.271 19.440 ( -2.687 9.919 0.000) 10.276 19.953 ( -6.090 0.446 0.000) 6.107 20.456 ( -21.253 -5.789 0.000) 22.027 38.457 ( 10.257 1.735 0.000) 10.403 38.630 ( 5.857 -2.985 0.000) 6.574 42.176 ( -5.092 2.744 0.000) 5.784 42.361 ( -9.349 -2.502 0.000) 9.678 56.298 ( -14.357 27.372 0.000) 30.909 57.006 ( -32.055 7.476 0.000) 32.916 ======================= Grid point 103 (59/420) ======================= q-point: ( 0.44 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 648 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.835 ( 12.053 0.602 0.000) 12.068 8.177 ( 5.506 5.631 0.000) 7.875 8.384 ( -4.004 -6.839 0.000) 7.925 8.610 ( -14.988 -11.266 0.000) 18.751 11.027 ( 20.325 -7.622 0.000) 21.707 11.786 ( -14.355 7.302 0.000) 16.105 12.246 ( 0.401 -14.044 0.000) 14.050 12.479 ( -6.661 -21.673 0.000) 22.674 13.941 ( 11.059 -5.385 0.000) 12.300 14.453 ( -11.839 -2.239 0.000) 12.049 15.156 ( 15.001 -5.702 0.000) 16.048 15.473 ( 0.000 0.500 0.000) 0.500 17.579 ( 18.762 -3.010 0.000) 19.002 18.011 ( 5.424 -2.257 0.000) 5.875 18.576 ( 18.441 14.143 0.000) 23.240 19.355 ( -8.557 18.430 0.000) 20.320 19.851 ( -3.377 -4.426 0.000) 5.567 20.078 ( -16.074 -10.057 0.000) 18.961 38.621 ( 6.409 0.588 0.000) 6.436 38.707 ( 1.967 -1.904 0.000) 2.737 42.112 ( -1.395 1.442 0.000) 2.006 42.208 ( -6.178 -1.413 0.000) 6.337 56.132 ( -2.518 22.119 0.000) 22.262 56.491 ( -20.672 12.827 0.000) 24.328 ======================= Grid point 104 (60/420) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.083 ( -12.668 -3.131 0.000) 13.050 8.083 ( 12.668 -3.132 0.000) 13.050 8.411 ( -5.152 -4.907 0.000) 7.115 8.411 ( 5.152 -4.907 0.000) 7.115 11.427 ( -19.081 0.607 0.000) 19.090 11.427 ( 19.081 0.607 0.000) 19.090 12.335 ( -2.955 -18.500 0.000) 18.735 12.335 ( 2.955 -18.500 0.000) 18.735 14.189 ( -6.235 -5.005 0.000) 7.995 14.189 ( 6.235 -5.005 0.000) 7.995 15.395 ( -5.945 -1.485 0.000) 6.127 15.395 ( 5.945 -1.485 0.000) 6.127 17.896 ( -11.079 -4.081 0.000) 11.807 17.896 ( 11.079 -4.081 0.000) 11.807 19.035 ( -16.228 20.527 0.000) 26.167 19.035 ( 16.228 20.527 0.000) 26.167 19.867 ( -1.854 -9.649 0.000) 9.825 19.867 ( 1.854 -9.649 0.000) 9.825 38.705 ( -0.617 -0.674 0.000) 0.914 38.705 ( 0.618 -0.674 0.000) 0.914 42.123 ( -1.893 -0.018 0.000) 1.893 42.123 ( 1.893 -0.018 0.000) 1.893 56.198 ( -7.474 17.483 0.000) 19.014 56.198 ( 7.474 17.483 0.000) 19.014 ======================= Grid point 114 (61/420) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 240 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.055 ( 0.000 0.000 0.000) 0.000 6.570 ( 0.000 -0.000 0.000) 0.000 7.245 ( 0.000 0.000 0.000) 0.000 7.400 ( 0.000 -0.000 0.000) 0.000 9.558 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 11.618 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 0.000) 0.000 12.475 ( 0.000 -0.000 0.000) 0.000 13.009 ( 0.000 0.000 0.000) 0.000 15.208 ( 0.000 0.000 0.000) 0.000 15.475 ( 0.000 0.000 0.000) 0.000 15.777 ( 0.000 0.000 0.000) 0.000 15.778 ( 0.000 -0.000 0.000) 0.000 18.439 ( 0.000 0.000 0.000) 0.000 20.130 ( 0.000 0.000 0.000) 0.000 20.426 ( 0.000 0.000 0.000) 0.000 23.137 ( 0.000 0.000 0.000) 0.000 36.965 ( 0.000 -0.000 0.000) 0.000 37.325 ( 0.000 0.000 0.000) 0.000 43.268 ( 0.000 0.000 0.000) 0.000 43.620 ( 0.000 0.000 0.000) 0.000 61.518 ( 0.000 -0.000 0.000) 0.000 62.459 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 116 (62/420) ======================= q-point: ( 0.06 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.250 ( 18.452 0.000 0.000) 18.452 6.838 ( 25.677 0.000 0.000) 25.677 7.322 ( 8.449 0.000 0.000) 8.449 7.434 ( 4.095 -0.000 0.000) 4.095 9.448 ( -9.651 0.000 0.000) 9.651 10.133 ( -5.317 0.000 0.000) 5.317 11.787 ( 15.513 0.000 0.000) 15.513 12.013 ( 6.181 0.000 0.000) 6.181 12.530 ( 6.985 -0.000 0.000) 6.985 13.022 ( 1.588 0.000 0.000) 1.588 15.182 ( -2.613 0.000 0.000) 2.613 15.368 ( -6.488 -0.000 0.000) 6.488 15.786 ( 0.953 0.000 0.000) 0.953 15.999 ( 18.098 0.000 0.000) 18.098 18.342 ( -9.803 0.000 0.000) 9.803 20.103 ( -2.732 0.000 0.000) 2.732 20.416 ( -0.956 0.000 0.000) 0.956 23.026 ( -11.182 0.000 0.000) 11.182 37.019 ( 5.446 -0.000 0.000) 5.446 37.378 ( 5.308 0.000 0.000) 5.308 43.229 ( -3.983 0.000 0.000) 3.983 43.577 ( -4.343 0.000 0.000) 4.343 61.278 ( -23.963 -0.000 0.000) 23.963 62.200 ( -25.841 0.000 0.000) 25.841 ======================= Grid point 118 (63/420) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.666 ( 20.792 0.000 0.000) 20.792 7.338 ( 14.383 0.000 0.000) 14.383 7.623 ( 23.640 -0.000 0.000) 23.640 7.712 ( 32.027 -0.000 0.000) 32.027 9.267 ( -6.068 0.000 0.000) 6.068 10.013 ( -6.349 0.000 0.000) 6.349 12.083 ( 0.314 0.000 0.000) 0.314 12.129 ( 17.015 0.000 0.000) 17.015 12.801 ( 20.426 -0.000 0.000) 20.426 13.092 ( 6.323 0.000 0.000) 6.323 15.101 ( -5.900 0.000 0.000) 5.900 15.286 ( -1.487 -0.000 0.000) 1.487 15.819 ( 2.602 0.000 0.000) 2.602 16.412 ( 23.385 0.000 0.000) 23.385 18.066 ( -17.945 0.000 0.000) 17.945 20.027 ( -4.902 0.000 0.000) 4.902 20.389 ( -1.770 0.000 0.000) 1.770 22.717 ( -19.782 0.000 0.000) 19.782 37.173 ( 10.140 -0.000 0.000) 10.140 37.525 ( 9.544 0.000 0.000) 9.544 43.116 ( -7.400 0.000 0.000) 7.400 43.453 ( -8.197 0.000 0.000) 8.197 60.622 ( -41.717 -0.000 0.000) 41.717 61.496 ( -44.505 0.000 0.000) 44.505 ======================= Grid point 120 (64/420) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.003 ( 14.237 0.000 0.000) 14.237 7.502 ( 6.546 -0.000 0.000) 6.546 8.225 ( 35.480 0.000 0.000) 35.480 8.339 ( 19.382 -0.000 0.000) 19.382 9.409 ( 27.673 0.000 0.000) 27.673 9.895 ( -5.831 0.000 0.000) 5.831 12.054 ( -2.262 0.000 0.000) 2.262 12.384 ( 8.579 0.000 0.000) 8.579 13.274 ( 26.674 -0.000 0.000) 26.674 13.287 ( 13.272 0.000 0.000) 13.272 14.940 ( -10.871 0.000 0.000) 10.871 15.317 ( 4.602 -0.000 0.000) 4.602 15.904 ( 6.652 0.000 0.000) 6.652 16.885 ( 23.837 0.000 0.000) 23.837 17.670 ( -21.053 0.000 0.000) 21.053 19.917 ( -6.233 0.000 0.000) 6.233 20.347 ( -2.556 0.000 0.000) 2.556 22.278 ( -24.379 0.000 0.000) 24.379 37.407 ( 13.471 -0.000 0.000) 13.471 37.740 ( 12.069 0.000 0.000) 12.069 42.946 ( -9.767 0.000 0.000) 9.767 43.262 ( -11.121 0.000 0.000) 11.121 59.708 ( -50.100 -0.000 0.000) 50.100 60.527 ( -52.905 0.000 0.000) 52.905 ======================= Grid point 122 (65/420) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.260 ( 12.619 0.000 0.000) 12.619 7.626 ( 5.898 -0.000 0.000) 5.898 8.453 ( -1.226 0.000 0.000) 1.226 8.911 ( 32.899 -0.000 0.000) 32.899 9.770 ( -7.460 0.000 0.000) 7.460 10.267 ( 51.826 -0.000 0.000) 51.826 12.021 ( -0.797 0.000 0.000) 0.797 12.488 ( 2.899 0.000 0.000) 2.899 13.569 ( 14.552 0.000 0.000) 14.552 13.808 ( 27.179 0.000 0.000) 27.179 14.670 ( -16.681 0.000 0.000) 16.681 15.455 ( 8.612 0.000 0.000) 8.612 16.094 ( 12.921 0.000 0.000) 12.921 17.110 ( -11.101 0.000 0.000) 11.101 17.502 ( 15.388 0.000 0.000) 15.388 19.790 ( -6.616 0.000 0.000) 6.616 20.287 ( -3.635 0.000 0.000) 3.635 21.788 ( -25.206 0.000 0.000) 25.206 37.689 ( 15.061 -0.000 0.000) 15.061 37.985 ( 12.754 0.000 0.000) 12.754 42.743 ( -10.768 0.000 0.000) 10.768 43.026 ( -12.759 -0.000 0.000) 12.759 58.721 ( -49.482 -0.000 0.000) 49.482 59.485 ( -52.405 0.000 0.000) 52.405 ======================= Grid point 124 (66/420) ======================= q-point: ( 0.28 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.508 ( 12.900 0.000 0.000) 12.900 7.719 ( 3.372 -0.000 0.000) 3.372 8.422 ( -0.870 0.000 0.000) 0.870 9.439 ( 11.604 0.000 0.000) 11.604 9.624 ( 1.705 0.000 0.000) 1.705 11.240 ( 44.624 -0.000 0.000) 44.624 12.026 ( 1.078 0.000 0.000) 1.078 12.523 ( 0.990 0.000 0.000) 0.990 13.844 ( 13.562 0.000 0.000) 13.562 14.310 ( -18.592 0.000 0.000) 18.592 14.311 ( 23.442 -0.000 0.000) 23.442 15.579 ( 1.519 0.000 0.000) 1.519 16.402 ( 18.105 -0.000 0.000) 18.105 16.914 ( -1.248 0.000 0.000) 1.248 17.895 ( 19.807 0.000 0.000) 19.807 19.666 ( -5.825 0.000 0.000) 5.825 20.202 ( -5.104 0.000 0.000) 5.104 21.306 ( -23.951 0.000 0.000) 23.951 37.984 ( 14.806 -0.000 0.000) 14.806 38.228 ( 11.806 0.000 0.000) 11.806 42.534 ( -10.314 0.000 0.000) 10.314 42.773 ( -12.887 -0.000 0.000) 12.887 57.816 ( -42.241 -0.000 0.000) 42.241 58.513 ( -46.328 0.000 0.000) 46.328 ======================= Grid point 126 (67/420) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.756 ( 0.746 0.001 0.000) 0.746 7.762 ( 12.885 -0.001 0.000) 12.885 8.430 ( 1.419 0.000 0.000) 1.419 9.213 ( -19.304 0.000 0.000) 19.304 10.009 ( 23.206 0.000 0.000) 23.206 11.914 ( 22.450 -0.000 0.000) 22.450 12.050 ( 1.205 0.000 0.000) 1.205 12.524 ( -1.472 -0.000 0.000) 1.472 13.886 ( -12.222 0.000 0.000) 12.222 14.245 ( 17.462 0.000 0.000) 17.462 14.670 ( 11.092 -0.000 0.000) 11.092 15.499 ( -6.546 0.000 0.000) 6.546 16.782 ( 20.198 -0.000 0.000) 20.198 17.142 ( 22.479 0.000 0.000) 22.479 18.225 ( 13.539 0.000 0.000) 13.539 19.573 ( -3.315 0.000 0.000) 3.315 20.088 ( -6.503 0.000 0.000) 6.503 20.850 ( -22.969 0.000 0.000) 22.969 38.257 ( 12.870 -0.000 0.000) 12.870 38.439 ( 9.573 0.000 0.000) 9.573 42.348 ( -8.536 0.000 0.000) 8.536 42.532 ( -11.501 -0.000 0.000) 11.501 57.094 ( -31.154 -0.000 0.000) 31.154 57.690 ( -37.587 0.000 0.000) 37.587 ======================= Grid point 128 (68/420) ======================= q-point: ( 0.39 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 378 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.773 ( 1.712 0.000 0.000) 1.712 8.005 ( 11.798 -0.000 0.000) 11.798 8.457 ( 0.838 0.000 0.000) 0.838 8.797 ( -22.245 -0.000 0.000) 22.245 10.465 ( 23.611 0.000 0.000) 23.611 12.071 ( 1.081 -0.000 0.000) 1.081 12.112 ( -1.036 0.000 0.000) 1.036 12.417 ( -9.680 -0.000 0.000) 9.680 13.752 ( 0.622 0.000 0.000) 0.622 14.674 ( 23.736 0.000 0.000) 23.736 14.679 ( -9.088 -0.000 0.000) 9.088 15.453 ( 1.875 0.000 0.000) 1.875 17.177 ( 19.870 0.000 0.000) 19.870 17.661 ( 26.670 0.000 0.000) 26.670 18.433 ( 9.213 0.000 0.000) 9.213 19.548 ( 0.958 0.000 0.000) 0.958 19.951 ( -7.477 0.000 0.000) 7.477 20.396 ( -23.738 0.000 0.000) 23.738 38.479 ( 9.646 -0.000 0.000) 9.646 38.596 ( 6.427 0.000 0.000) 6.427 42.207 ( -5.721 0.000 0.000) 5.721 42.331 ( -8.861 -0.000 0.000) 8.861 56.607 ( -18.504 -0.000 0.000) 18.504 57.050 ( -27.776 0.000 0.000) 27.776 ======================= Grid point 130 (69/420) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 384 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.849 ( 6.627 0.000 0.000) 6.627 8.215 ( 9.403 0.000 0.000) 9.403 8.378 ( -19.799 0.000 0.000) 19.799 8.447 ( -2.169 -0.000 0.000) 2.169 10.937 ( 24.709 0.000 0.000) 24.709 11.885 ( -20.391 0.000 0.000) 20.391 12.101 ( 2.088 -0.000 0.000) 2.088 12.250 ( -5.960 0.000 0.000) 5.960 13.878 ( 10.685 0.000 0.000) 10.685 14.422 ( -15.098 0.000 0.000) 15.098 15.103 ( 18.939 0.000 0.000) 18.939 15.483 ( -0.765 0.000 0.000) 0.765 17.548 ( 17.784 0.000 0.000) 17.784 17.980 ( 2.594 0.000 0.000) 2.594 18.736 ( 24.518 -0.000 0.000) 24.518 19.607 ( 4.683 0.000 0.000) 4.683 19.771 ( -14.305 -0.000 0.000) 14.305 19.937 ( -19.884 0.000 0.000) 19.884 38.629 ( 5.661 -0.000 0.000) 5.661 38.686 ( 2.681 0.000 0.000) 2.681 42.129 ( -2.228 0.000 0.000) 2.228 42.191 ( -5.407 -0.000 0.000) 5.407 56.370 ( -5.794 -0.000 0.000) 5.794 56.608 ( -17.357 0.000 0.000) 17.357 ======================= Grid point 132 (70/420) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.046 ( -13.642 0.000 0.000) 13.642 8.046 ( 13.642 0.000 0.000) 13.642 8.367 ( -5.987 0.000 0.000) 5.987 8.367 ( 5.987 0.000 0.000) 5.987 11.426 ( -24.958 0.000 0.000) 24.958 11.426 ( 24.958 0.000 0.000) 24.958 12.158 ( -3.785 0.000 0.000) 3.785 12.158 ( 3.785 0.000 0.000) 3.785 14.129 ( -14.390 0.000 0.000) 14.390 14.129 ( 14.390 0.000 0.000) 14.390 15.385 ( -9.611 0.000 0.000) 9.611 15.385 ( 9.611 0.000 0.000) 9.611 17.853 ( -12.602 0.000 0.000) 12.602 17.853 ( 12.602 0.000 0.000) 12.602 19.293 ( -29.390 -0.000 0.000) 29.390 19.293 ( 29.390 0.000 0.000) 29.390 19.721 ( -6.978 -0.000 0.000) 6.978 19.721 ( 6.978 0.000 0.000) 6.978 38.699 ( -1.429 0.000 0.000) 1.429 38.699 ( 1.429 0.000 0.000) 1.429 42.122 ( -1.591 0.000 0.000) 1.591 42.122 ( 1.591 0.000 0.000) 1.591 56.376 ( -6.218 0.000 0.000) 6.218 56.376 ( 6.218 0.000 0.000) 6.218 ======================= Grid point 247 (71/420) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 0.000 59.388) 59.388 1.385 ( 0.000 0.000 71.090) 71.090 2.048 ( 0.000 0.000 104.642) 104.642 8.218 ( 0.000 0.000 -10.179) 10.179 8.772 ( 0.000 0.000 -4.081) 4.081 10.528 ( 0.000 0.000 1.880) 1.880 11.923 ( 0.000 0.000 2.756) 2.756 11.992 ( 0.000 0.000 1.976) 1.976 12.661 ( 0.000 0.000 10.563) 10.563 13.297 ( 0.000 0.000 -1.536) 1.536 15.110 ( 0.000 0.000 1.775) 1.775 16.147 ( 0.000 0.000 -0.413) 0.413 16.159 ( 0.000 0.000 -2.546) 2.546 16.576 ( 0.000 0.000 -9.923) 9.923 18.636 ( 0.000 0.000 3.656) 3.656 20.021 ( 0.000 0.000 -8.037) 8.037 21.678 ( 0.000 0.000 3.179) 3.179 22.552 ( 0.000 0.000 -5.292) 5.292 36.601 ( 0.000 0.000 1.939) 1.939 37.623 ( 0.000 0.000 -2.486) 2.486 41.013 ( 0.000 0.000 6.412) 6.412 44.369 ( 0.000 0.000 -6.832) 6.832 58.535 ( 0.000 0.000 2.057) 2.057 61.188 ( 0.000 0.000 -10.471) 10.471 ======================= Grid point 248 (72/420) ======================= q-point: ( 0.06 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 38.823 0.000 53.356) 65.986 1.832 ( 45.180 0.000 48.023) 65.935 2.776 ( 72.364 0.000 68.404) 99.577 8.444 ( -17.815 0.000 16.881) 24.542 8.509 ( 28.650 0.000 -10.996) 30.687 10.485 ( -3.467 0.000 3.190) 4.711 11.988 ( 5.205 0.000 3.392) 6.212 12.162 ( 11.419 0.000 0.911) 11.455 12.757 ( 10.431 0.000 9.409) 14.047 13.110 ( -16.112 0.000 13.755) 21.185 14.019 ( -27.650 0.000 36.018) 45.407 16.143 ( -1.822 0.000 -5.646) 5.932 16.600 ( 2.506 0.000 -6.806) 7.252 17.110 ( 30.850 0.000 -35.187) 46.795 18.696 ( 2.148 0.000 2.810) 3.537 19.964 ( -5.804 0.000 -7.526) 9.504 21.639 ( -3.930 0.000 2.866) 4.865 22.436 ( -7.478 0.000 0.350) 7.486 36.657 ( 5.746 0.000 1.842) 6.034 38.232 ( 38.137 0.000 -39.687) 55.041 41.027 ( 1.441 0.000 6.380) 6.541 44.077 ( -20.815 0.000 10.961) 23.524 58.334 (-155.750 0.000 137.402) 207.695 58.401 ( -13.551 0.000 1.805) 13.671 ======================= Grid point 249 (73/420) ======================= q-point: ( 0.11 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.732 ( 52.544 0.000 33.827) 62.491 2.753 ( 49.462 0.000 37.449) 62.039 4.458 ( 92.074 0.000 36.391) 99.004 8.315 ( 3.767 0.000 11.966) 12.545 9.245 ( 41.898 0.000 -14.522) 44.343 10.461 ( 4.403 0.000 7.574) 8.761 12.067 ( 2.199 0.000 4.840) 5.316 12.228 ( -4.966 0.000 13.372) 14.264 13.034 ( 9.235 0.000 0.148) 9.236 13.085 ( 22.595 0.000 6.889) 23.622 13.916 ( 7.887 0.000 15.796) 17.655 16.078 ( -5.037 0.000 -11.354) 12.422 16.677 ( 5.273 0.000 -1.073) 5.381 17.419 ( 6.756 0.000 -22.814) 23.793 18.654 ( -5.907 0.000 9.254) 10.979 19.796 ( -11.315 0.000 -6.013) 12.813 21.527 ( -7.487 0.000 2.002) 7.750 22.308 ( -6.159 0.000 -1.033) 6.245 36.821 ( 10.802 0.000 1.548) 10.913 38.761 ( 17.423 0.000 -34.041) 38.241 41.069 ( 2.806 0.000 6.289) 6.887 43.736 ( -13.945 0.000 10.384) 17.387 56.313 ( -66.212 0.000 88.876) 110.829 58.016 ( -25.445 0.000 1.127) 25.470 ======================= Grid point 250 (74/420) ======================= q-point: ( 0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.742 ( 50.945 0.000 26.711) 57.522 3.811 ( 56.898 0.000 22.817) 61.303 6.240 ( 88.031 0.000 23.863) 91.208 8.545 ( 19.329 0.000 6.123) 20.275 9.805 ( 9.740 0.000 -12.423) 15.786 10.939 ( 48.263 0.000 5.601) 48.587 12.080 ( -0.229 0.000 5.610) 5.614 12.089 ( -7.434 0.000 11.834) 13.976 13.271 ( 11.813 0.000 -8.679) 14.659 13.600 ( 28.952 0.000 5.237) 29.422 14.223 ( 22.565 0.000 12.237) 25.670 15.947 ( -8.189 0.000 -14.452) 16.611 16.794 ( 6.340 0.000 2.101) 6.679 17.467 ( -1.442 0.000 -17.326) 17.386 18.506 ( -7.958 0.000 13.670) 15.818 19.526 ( -16.157 0.000 -3.539) 16.540 21.351 ( -10.379 0.000 0.796) 10.409 22.175 ( -7.870 0.000 -2.332) 8.209 37.072 ( 14.628 0.000 1.047) 14.665 38.996 ( 8.060 0.000 -21.656) 23.107 41.136 ( 4.056 0.000 6.146) 7.364 43.500 ( -11.029 0.000 3.936) 11.710 55.320 ( -40.680 0.000 47.213) 62.321 57.425 ( -34.334 0.000 0.220) 34.335 ======================= Grid point 251 (75/420) ======================= q-point: ( 0.22 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.725 ( 49.145 0.000 20.184) 53.129 4.933 ( 57.287 0.000 16.507) 59.617 7.799 ( 67.516 0.000 13.496) 68.852 9.104 ( 40.291 0.000 7.305) 40.948 9.817 ( -4.159 0.000 -4.352) 6.020 11.892 ( 17.016 0.000 -3.024) 17.282 11.957 ( -6.037 0.000 6.918) 9.181 12.271 ( 46.319 0.000 4.958) 46.583 13.468 ( 8.649 0.000 -10.108) 13.303 14.174 ( 28.716 0.000 4.190) 29.020 14.747 ( 29.601 0.000 10.251) 31.325 15.767 ( -9.756 0.000 -13.426) 16.596 16.910 ( 5.147 0.000 1.921) 5.494 17.352 ( -10.572 0.000 -12.187) 16.133 18.392 ( -2.703 0.000 12.847) 13.128 19.171 ( -19.874 0.000 -0.124) 19.874 21.126 ( -12.429 0.000 -0.461) 12.438 21.989 ( -11.343 0.000 -2.573) 11.631 37.383 ( 16.922 0.000 0.342) 16.925 39.110 ( 4.045 0.000 -14.132) 14.699 41.227 ( 5.209 0.000 5.949) 7.907 43.285 ( -11.175 0.000 -0.005) 11.175 54.622 ( -31.694 0.000 26.609) 41.383 56.698 ( -39.401 0.000 -0.667) 39.406 ======================= Grid point 252 (76/420) ======================= q-point: ( 0.28 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.653 ( 45.461 0.000 16.533) 48.374 6.033 ( 54.807 0.000 12.663) 56.251 8.788 ( 36.403 0.000 2.631) 36.498 9.705 ( -6.782 0.000 -0.170) 6.785 10.158 ( 62.947 0.000 12.280) 64.134 11.862 ( -3.085 0.000 3.297) 4.515 11.900 ( -4.151 0.000 0.118) 4.153 13.470 ( 61.547 0.000 -7.398) 61.990 13.624 ( 7.591 0.000 -10.875) 13.262 14.682 ( 21.981 0.000 1.277) 22.018 15.334 ( 29.565 0.000 9.028) 30.913 15.597 ( -6.042 0.000 -4.740) 7.679 16.991 ( 3.367 0.000 -1.135) 3.553 17.070 ( -17.181 0.000 -5.795) 18.132 18.410 ( 4.117 0.000 8.428) 9.380 18.758 ( -22.056 0.000 4.273) 22.467 20.871 ( -13.546 0.000 -1.485) 13.627 21.724 ( -15.916 0.000 -2.217) 16.069 37.724 ( 17.638 0.000 -0.537) 17.646 39.163 ( 1.474 0.000 -9.879) 9.988 41.340 ( 6.341 0.000 5.670) 8.506 43.057 ( -12.241 0.000 -1.641) 12.351 54.068 ( -24.809 0.000 15.883) 29.458 55.911 ( -40.414 0.000 -1.309) 40.435 ======================= Grid point 253 (77/420) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.494 ( 40.409 0.000 14.828) 43.044 7.056 ( 49.066 0.000 10.373) 50.150 9.365 ( 24.238 0.000 -0.629) 24.246 9.563 ( -7.461 0.000 2.716) 7.940 11.264 ( 37.460 0.000 4.680) 37.752 11.800 ( -5.815 0.000 -1.214) 5.941 11.951 ( 21.947 0.000 6.913) 23.010 13.769 ( 7.339 0.000 -11.934) 14.010 14.409 ( 25.205 0.000 -24.697) 35.288 15.027 ( 15.955 0.000 -3.190) 16.271 15.652 ( 15.671 0.000 17.238) 23.297 15.877 ( 25.335 0.000 8.295) 26.658 16.733 ( -15.835 0.000 -1.386) 15.896 17.065 ( 5.332 0.000 -6.467) 8.382 18.321 ( -22.288 0.000 9.828) 24.358 18.531 ( 7.675 0.000 5.029) 9.176 20.603 ( -13.619 0.000 -2.101) 13.780 21.363 ( -20.931 0.000 -1.568) 20.990 38.064 ( 16.940 0.000 -1.522) 17.008 39.169 ( -0.946 0.000 -7.437) 7.497 41.476 ( 7.555 0.000 5.243) 9.196 42.808 ( -13.175 0.000 -1.705) 13.285 53.660 ( -16.740 0.000 9.688) 19.341 55.141 ( -37.654 0.000 -1.546) 37.686 ======================= Grid point 254 (78/420) ======================= q-point: ( 0.39 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.225 ( 34.138 0.000 14.359) 37.035 7.910 ( 36.375 0.000 9.844) 37.684 9.437 ( -4.210 0.000 4.052) 5.843 9.747 ( 14.327 0.000 -1.045) 14.366 11.498 ( 0.062 0.000 -5.477) 5.478 11.680 ( -6.260 0.000 -3.016) 6.948 12.779 ( 47.855 0.000 10.287) 48.948 13.923 ( 9.058 0.000 -11.737) 14.826 14.466 ( -9.741 0.000 -30.049) 31.589 15.222 ( 0.280 0.000 5.108) 5.116 16.167 ( 27.912 0.000 12.710) 30.670 16.288 ( 13.903 0.000 5.035) 14.787 16.525 ( -1.739 0.000 3.460) 3.873 17.251 ( 13.119 0.000 -10.597) 16.865 17.927 ( -14.811 0.000 17.283) 22.762 18.686 ( 7.435 0.000 3.386) 8.169 20.347 ( -12.189 0.000 -2.292) 12.402 20.912 ( -24.820 0.000 -0.907) 24.836 38.379 ( 15.131 0.000 -2.521) 15.340 39.125 ( -3.607 0.000 -5.989) 6.991 41.636 ( 8.918 0.000 4.573) 10.022 42.546 ( -13.459 0.000 -0.766) 13.481 53.423 ( -7.202 0.000 5.699) 9.184 54.458 ( -31.748 0.000 -1.287) 31.774 ======================= Grid point 255 (79/420) ======================= q-point: ( 0.44 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.821 ( 26.522 0.000 14.354) 30.157 8.362 ( 7.243 0.000 12.218) 14.204 9.484 ( 10.747 0.000 2.249) 10.980 9.898 ( 0.518 0.000 -0.488) 0.711 11.476 ( -0.924 0.000 -6.897) 6.959 11.565 ( -5.238 0.000 -4.813) 7.114 13.549 ( 28.154 0.000 -4.317) 28.483 14.188 ( 20.175 0.000 -1.606) 20.239 14.216 ( -14.255 0.000 -26.937) 30.476 15.063 ( -15.309 0.000 10.281) 18.441 16.396 ( 4.599 0.000 -3.302) 5.661 16.514 ( 7.624 0.000 -1.406) 7.753 16.709 ( 13.112 0.000 11.588) 17.498 17.256 ( -14.235 0.000 5.122) 15.128 18.069 ( 27.642 0.000 10.301) 29.499 18.776 ( -0.050 0.000 3.412) 3.413 20.148 ( -7.249 0.000 -2.140) 7.558 20.430 ( -22.620 0.000 -0.736) 22.632 38.651 ( 12.571 0.000 -3.444) 13.034 39.026 ( -6.541 0.000 -5.038) 8.257 41.825 ( 10.401 0.000 3.573) 10.997 42.286 ( -12.961 0.000 0.686) 12.979 53.384 ( 3.209 0.000 2.906) 4.329 53.915 ( -23.489 0.000 -0.482) 23.494 ======================= Grid point 256 (80/420) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.245 ( -15.407 0.000 14.005) 20.821 8.245 ( 15.407 0.000 14.005) 20.821 9.763 ( -11.714 0.000 0.447) 11.722 9.763 ( 11.714 0.000 0.447) 11.722 11.488 ( -0.939 0.000 -6.311) 6.381 11.488 ( 0.939 0.000 -6.311) 6.381 13.933 ( -5.836 0.000 -20.856) 21.657 13.933 ( 5.836 0.000 -20.856) 21.657 14.662 ( -23.825 0.000 9.781) 25.754 14.662 ( 23.825 0.000 9.781) 25.754 16.518 ( -0.926 0.000 -6.611) 6.676 16.518 ( 0.926 0.000 -6.611) 6.676 16.960 ( -3.676 0.000 13.567) 14.056 16.960 ( 3.676 0.000 13.567) 14.056 18.593 ( -20.062 0.000 5.384) 20.772 18.593 ( 20.062 0.000 5.384) 20.772 20.124 ( -6.680 0.000 -1.529) 6.853 20.124 ( 6.680 0.000 -1.529) 6.853 38.868 ( -7.342 0.000 -4.258) 8.487 38.868 ( 7.342 0.000 -4.258) 8.487 42.043 ( -11.527 0.000 2.232) 11.741 42.043 ( 11.527 0.000 2.232) 11.741 53.549 ( -12.600 0.000 0.897) 12.632 53.549 ( 12.600 0.000 0.897) 12.632 ======================= Grid point 266 (81/420) ======================= q-point: ( 0.00 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 0.000 43.660 40.440) 59.511 1.823 ( 0.000 47.137 43.797) 64.343 3.052 ( 0.000 74.420 78.437) 108.123 8.175 ( 0.000 -4.346 -9.435) 10.388 8.376 ( 0.000 0.830 10.837) 10.869 10.943 ( 0.000 7.658 6.081) 9.778 11.880 ( 0.000 -3.476 1.644) 3.845 12.009 ( 0.000 0.928 2.509) 2.675 12.357 ( 0.000 -12.763 3.713) 13.292 13.440 ( 0.000 5.183 -10.577) 11.779 15.131 ( 0.000 2.111 1.735) 2.732 15.657 ( 0.000 -21.897 -2.969) 22.097 16.138 ( 0.000 -2.068 -2.439) 3.198 17.367 ( 0.000 22.201 -22.201) 31.397 18.575 ( 0.000 -4.264 1.481) 4.514 20.043 ( 0.000 6.394 3.757) 7.416 20.959 ( 0.000 -24.480 27.394) 36.738 23.255 ( 0.000 18.375 -28.531) 33.936 36.619 ( 0.000 1.828 1.888) 2.628 37.609 ( 0.000 -1.385 -2.397) 2.769 42.128 ( 0.000 53.005 -51.745) 74.075 44.149 ( 0.000 -15.058 6.387) 16.356 56.582 ( 0.000 -35.541 57.555) 67.644 65.512 ( 0.000 146.839 -187.092) 237.834 ======================= Grid point 267 (82/420) ======================= q-point: ( 0.06 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 31.934 38.039 37.142) 62.018 2.295 ( 46.414 35.819 33.903) 67.725 3.491 ( 47.645 61.333 63.520) 100.332 8.297 ( 2.270 -0.726 7.343) 7.720 8.520 ( 25.373 2.839 -8.710) 26.976 10.807 ( -10.452 10.323 7.336) 16.420 11.950 ( 3.519 -2.897 -1.394) 4.766 12.161 ( 13.097 -0.485 4.990) 14.024 12.463 ( 12.436 -12.402 5.038) 18.272 13.401 ( -4.636 9.125 -10.682) 14.794 14.381 ( -36.324 25.189 22.577) 49.635 15.967 ( 5.171 -20.783 -9.984) 23.629 16.248 ( 11.038 -11.086 -1.786) 15.746 17.491 ( 8.012 12.640 -23.032) 27.467 18.597 ( 1.219 -5.344 3.275) 6.385 20.038 ( -2.057 7.681 -2.123) 8.230 20.971 ( 0.910 -30.117 22.867) 37.825 23.013 ( -19.655 20.989 -17.378) 33.599 36.676 ( 5.756 1.836 1.843) 6.317 37.895 ( 23.686 -15.642 -9.254) 29.856 42.001 ( -11.387 52.487 -38.780) 66.245 43.972 ( -14.335 -8.391 11.060) 19.955 56.395 ( -18.335 -25.898 54.860) 63.376 62.963 (-181.811 193.796 -61.191) 272.684 ======================= Grid point 268 (83/420) ======================= q-point: ( 0.11 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 45.880 25.265 27.373) 59.098 3.170 ( 44.292 33.339 33.538) 64.792 4.824 ( 81.364 35.114 36.069) 95.677 8.368 ( 7.493 7.644 6.059) 12.300 9.238 ( 42.436 -1.488 -14.526) 44.878 10.655 ( -2.025 10.673 10.302) 14.972 11.973 ( -0.807 -4.725 -1.163) 4.933 12.360 ( 4.836 6.356 8.362) 11.563 12.854 ( 24.586 -9.475 4.253) 26.690 13.301 ( -0.672 11.322 -6.263) 12.956 14.069 ( 1.378 14.955 19.012) 24.228 15.961 ( -3.216 -11.659 -11.336) 16.577 16.443 ( 8.462 -15.689 1.119) 17.861 17.578 ( 0.766 5.692 -19.363) 20.197 18.595 ( -1.348 -1.384 7.499) 7.743 19.917 ( -10.619 10.172 -5.141) 15.578 20.974 ( -1.051 -35.402 13.288) 37.828 22.639 ( -17.376 16.102 -7.503) 24.849 36.839 ( 10.764 1.813 1.637) 11.038 38.349 ( 20.595 -25.041 -12.912) 34.899 41.764 ( -11.192 45.574 -17.715) 50.160 43.702 ( -12.449 -3.229 8.851) 15.613 55.919 ( -28.685 -6.472 45.067) 53.813 60.103 (-108.264 145.024 -4.833) 181.042 ======================= Grid point 269 (84/420) ======================= q-point: ( 0.17 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.886 ( 49.021 15.650 22.833) 56.297 4.080 ( 48.964 24.572 24.397) 59.971 6.458 ( 82.199 21.021 22.398) 87.751 8.627 ( 19.781 8.680 3.770) 21.928 9.863 ( 13.524 1.900 -12.494) 18.510 10.963 ( 38.969 1.890 7.744) 39.776 11.944 ( -1.189 -4.705 0.366) 4.866 12.338 ( -5.291 13.695 9.400) 17.433 13.227 ( 11.601 -3.270 -6.323) 13.611 13.568 ( 26.883 -2.893 2.583) 27.162 14.291 ( 19.276 6.798 13.400) 24.441 15.870 ( -5.875 -7.281 -12.545) 15.650 16.580 ( 5.261 -17.840 3.432) 18.913 17.538 ( -4.347 2.927 -15.496) 16.358 18.561 ( -1.568 6.654 9.550) 11.745 19.633 ( -17.960 9.110 -2.862) 20.340 20.917 ( -4.859 -33.455 5.680) 34.280 22.333 ( -14.426 8.532 -4.055) 17.243 37.089 ( 14.543 1.704 1.222) 14.693 38.681 ( 13.575 -22.697 -11.236) 28.735 41.594 ( -6.076 34.365 -5.354) 35.306 43.479 ( -10.734 -1.983 3.258) 11.392 55.327 ( -30.911 7.137 31.653) 44.815 58.450 ( -67.777 85.907 -0.947) 109.429 ======================= Grid point 270 (85/420) ======================= q-point: ( 0.22 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.832 ( 47.250 10.409 20.146) 52.409 5.074 ( 52.072 14.443 16.479) 56.495 7.895 ( 60.254 9.031 11.094) 61.928 9.208 ( 42.374 10.600 6.746) 44.198 9.903 ( -3.532 6.089 -2.921) 7.621 11.723 ( 12.610 -10.314 -2.981) 16.561 12.075 ( 11.738 4.134 3.337) 12.884 12.325 ( 26.400 5.604 4.430) 27.350 13.419 ( 9.273 -3.797 -9.019) 13.481 14.137 ( 28.635 -3.784 3.991) 29.158 14.761 ( 27.297 1.812 11.279) 29.591 15.742 ( -6.695 -2.616 -11.637) 13.678 16.630 ( -0.580 -23.309 3.815) 23.627 17.432 ( -5.772 5.938 -11.972) 14.557 18.550 ( 0.647 12.791 8.373) 15.301 19.233 ( -22.400 5.724 1.130) 23.148 20.787 ( -8.312 -28.506 1.198) 29.717 22.054 ( -14.582 3.167 -2.683) 15.161 37.398 ( 16.782 1.499 0.594) 16.860 38.893 ( 8.476 -17.315 -8.728) 21.162 41.522 ( -1.499 24.136 0.176) 24.183 43.268 ( -11.104 -1.717 -0.298) 11.240 54.738 ( -28.787 13.139 20.656) 37.789 57.282 ( -53.938 52.769 -1.592) 75.475 ======================= Grid point 271 (86/420) ======================= q-point: ( 0.28 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.725 ( 43.946 7.103 17.211) 47.727 6.090 ( 51.204 6.177 12.564) 53.083 8.757 ( 31.289 -2.362 1.562) 31.417 9.774 ( -4.679 5.139 0.302) 6.956 10.317 ( 61.254 15.197 12.064) 64.254 11.753 ( -0.566 -7.725 -1.058) 7.817 11.999 ( -7.576 6.367 1.858) 10.069 13.284 ( 40.871 -13.410 -9.194) 43.986 13.672 ( 25.171 0.012 -7.009) 26.129 14.620 ( 18.974 -5.016 1.240) 19.665 15.299 ( 25.235 -2.432 11.501) 27.838 15.653 ( 0.314 3.463 -5.997) 6.933 16.562 ( -5.244 -26.111 2.530) 26.753 17.331 ( -4.478 12.067 -9.703) 16.119 18.581 ( 1.229 11.644 4.161) 12.426 18.784 ( -21.768 4.854 7.693) 23.592 20.600 ( -10.568 -23.479 -1.192) 25.775 21.747 ( -17.040 0.491 -1.832) 17.146 37.735 ( 17.423 1.173 -0.234) 17.464 39.021 ( 4.679 -12.175 -6.664) 14.647 41.528 ( 1.905 16.235 2.526) 16.540 43.041 ( -12.170 -1.606 -1.758) 12.400 54.220 ( -23.713 15.561 13.206) 31.287 56.297 ( -47.235 36.053 -1.968) 59.454 ======================= Grid point 272 (87/420) ======================= q-point: ( 0.33 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.542 ( 39.314 4.681 15.351) 42.463 7.054 ( 46.723 0.202 10.529) 47.895 9.217 ( 15.309 -9.960 0.190) 18.265 9.688 ( -1.643 7.303 2.230) 7.811 11.326 ( 25.890 4.574 2.495) 26.409 11.827 ( -4.173 2.873 -1.435) 5.266 11.960 ( 29.122 1.445 7.141) 30.020 13.631 ( 8.746 -10.960 -14.642) 20.273 14.439 ( 32.657 -3.233 -15.388) 36.246 14.836 ( 5.569 -12.325 -2.171) 13.698 15.601 ( 10.401 -5.809 15.910) 19.876 15.924 ( 21.799 1.867 3.497) 22.157 16.518 ( 4.159 -13.505 2.435) 14.340 17.251 ( -3.532 12.378 -11.322) 17.143 18.299 ( -21.541 -1.459 10.365) 23.950 18.698 ( 4.858 14.529 5.432) 16.254 20.383 ( -11.331 -19.080 -2.248) 22.304 21.379 ( -20.661 0.064 -1.103) 20.691 38.070 ( 16.608 0.673 -1.230) 16.667 39.079 ( 1.359 -7.971 -5.139) 9.581 41.592 ( 4.571 10.424 3.399) 11.879 42.794 ( -13.003 -1.389 -1.745) 13.193 53.826 ( -16.144 16.749 8.247) 24.681 55.433 ( -40.996 27.665 -1.911) 49.494 ======================= Grid point 273 (88/420) ======================= q-point: ( 0.39 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.255 ( 33.364 2.927 14.642) 36.553 7.880 ( 36.111 -2.924 9.996) 37.583 9.322 ( -1.305 -9.537 3.496) 10.241 9.769 ( 7.171 0.541 0.221) 7.194 11.451 ( -1.040 -4.392 -4.761) 6.560 11.690 ( -7.165 0.666 -2.551) 7.634 12.853 ( 45.699 6.748 6.531) 46.654 13.801 ( 10.327 -9.010 -13.779) 19.434 14.584 ( -7.974 8.368 -22.121) 24.959 15.007 ( 4.690 -21.989 3.679) 22.783 15.844 ( 12.891 -16.567 11.999) 24.179 16.266 ( 12.814 -8.837 5.234) 16.422 16.757 ( 13.127 14.712 2.511) 19.876 17.259 ( 8.329 1.688 -12.366) 15.004 17.942 ( -12.407 2.313 18.357) 22.277 18.797 ( 4.326 9.646 3.031) 10.998 20.172 ( -9.742 -14.637 -2.414) 17.747 20.943 ( -23.670 1.277 -0.518) 23.710 38.377 ( 14.579 -0.117 -2.375) 14.772 39.074 ( -1.860 -4.637 -3.939) 6.362 41.704 ( 6.878 6.222 3.427) 9.887 42.537 ( -13.106 -0.904 -0.799) 13.162 53.600 ( -6.759 17.560 4.740) 19.404 54.702 ( -33.416 23.440 -1.392) 40.841 ======================= Grid point 274 (89/420) ======================= q-point: ( 0.44 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.838 ( 25.941 1.660 14.429) 29.730 8.355 ( 9.169 -0.971 12.441) 15.485 9.360 ( 8.760 -11.362 1.947) 14.478 9.832 ( -2.346 -6.928 0.537) 7.334 11.423 ( -0.998 -4.337 -6.297) 7.711 11.564 ( -5.357 -0.753 -3.081) 6.225 13.495 ( 17.834 -3.577 -14.619) 23.336 14.135 ( 24.533 -1.921 1.892) 24.681 14.390 ( -9.402 10.778 -18.477) 23.366 14.943 ( -9.912 -13.880 6.475) 18.243 16.054 ( 8.993 -18.238 4.459) 20.818 16.429 ( 2.766 -20.091 7.896) 21.763 16.830 ( -1.417 14.461 -10.155) 17.727 17.420 ( -0.203 12.921 9.499) 16.038 18.047 ( 24.727 -1.806 10.498) 26.924 18.814 ( -4.403 2.714 2.720) 5.844 20.039 ( -2.413 -7.874 -1.984) 8.471 20.481 ( -22.349 2.806 -0.409) 22.528 38.633 ( 11.339 -1.548 -3.862) 12.078 39.008 ( -4.745 -1.734 -2.582) 5.674 41.859 ( 8.956 3.192 2.798) 9.911 42.287 ( -12.308 0.008 0.625) 12.324 53.568 ( 3.468 18.192 1.976) 18.625 54.136 ( -24.198 21.369 -0.260) 32.284 ======================= Grid point 275 (90/420) ======================= q-point: (-0.50 0.08 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.218 ( 0.000 -0.682 12.752) 12.770 8.293 ( -0.000 2.734 15.744) 15.980 9.572 ( 0.000 -15.004 -2.751) 15.254 9.714 ( -0.000 -8.184 4.086) 9.147 11.418 ( 0.000 -3.740 -6.786) 7.749 11.503 ( 0.000 -1.332 -3.086) 3.361 13.651 ( 0.000 -9.489 -26.106) 27.777 14.271 ( 0.000 13.465 -13.055) 18.755 14.609 ( 0.000 -1.761 13.728) 13.840 14.656 ( -0.000 -6.457 0.552) 6.480 16.175 ( 0.000 -16.602 -0.431) 16.608 16.409 ( 0.000 -29.170 10.426) 30.977 16.815 ( 0.000 13.097 -10.890) 17.033 17.395 ( 0.000 20.041 15.698) 25.457 18.556 ( 0.000 -3.250 4.619) 5.648 18.564 ( 0.000 -3.343 4.412) 5.536 20.118 ( -0.000 -0.320 -1.507) 1.541 20.141 ( 0.000 1.156 -0.741) 1.373 38.779 ( -0.000 -4.470 -6.554) 7.934 38.927 ( 0.000 1.670 0.037) 1.670 42.032 ( 0.000 0.282 0.830) 0.877 42.081 ( -0.000 2.230 2.902) 3.660 53.696 ( -0.000 17.234 -1.897) 17.338 53.805 ( 0.000 21.942 3.091) 22.159 ======================= Grid point 285 (91/420) ======================= q-point: ( 0.00 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.658 ( 0.000 52.270 24.424) 57.695 2.984 ( 0.000 63.467 16.700) 65.628 4.652 ( 0.000 83.915 56.437) 101.128 8.043 ( 0.000 -8.978 -7.384) 11.625 8.708 ( 0.000 23.570 -9.666) 25.475 10.851 ( 0.000 -11.295 29.538) 31.624 11.802 ( 0.000 -4.127 0.251) 4.135 12.016 ( 0.000 -0.316 2.342) 2.363 12.183 ( 0.000 -6.771 -3.502) 7.623 13.546 ( 0.000 7.132 -15.226) 16.814 15.190 ( 0.000 3.713 1.617) 4.050 15.219 ( 0.000 -22.531 1.186) 22.562 16.079 ( 0.000 -3.739 -2.135) 4.306 17.324 ( 0.000 -19.062 -5.704) 19.897 18.655 ( 0.000 11.175 -2.765) 11.512 20.159 ( 0.000 -0.320 5.901) 5.910 20.676 ( 0.000 -5.149 15.290) 16.134 23.367 ( 0.000 -1.905 -14.690) 14.813 36.672 ( 0.000 3.397 1.739) 3.816 37.569 ( 0.000 -2.634 -2.145) 3.397 42.775 ( 0.000 18.350 -37.001) 41.301 43.894 ( 0.000 -10.315 7.217) 12.589 56.616 ( 0.000 26.082 23.266) 34.951 66.706 ( 0.000 1.814 -109.165) 109.180 ======================= Grid point 286 (92/420) ======================= q-point: ( 0.06 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.065 ( 30.968 47.986 23.116) 61.612 3.221 ( 27.463 55.340 16.996) 64.074 4.903 ( 27.039 76.666 49.858) 95.366 8.254 ( 18.754 -6.728 -5.119) 20.572 8.773 ( 8.797 19.632 -11.885) 24.577 10.786 ( -5.063 -8.131 26.399) 28.083 11.885 ( 3.930 -3.689 -4.984) 7.342 12.141 ( 13.008 -1.602 4.758) 13.943 12.275 ( 11.238 -7.582 1.130) 13.604 13.540 ( -0.911 7.479 -16.475) 18.116 14.722 ( -23.719 7.775 10.881) 27.229 15.536 ( 10.985 -18.218 -3.732) 21.598 16.111 ( 3.051 -5.696 -0.999) 6.538 17.376 ( 4.435 -19.344 -7.089) 21.074 18.672 ( 1.647 10.885 -2.188) 11.224 20.148 ( -1.526 -2.047 2.752) 3.754 20.602 ( -7.178 -6.531 16.148) 18.840 23.189 ( -16.500 0.621 -12.077) 20.457 36.729 ( 5.736 3.369 1.777) 6.885 37.694 ( 11.877 -6.617 -2.897) 13.901 42.686 ( -8.776 20.490 -32.897) 39.738 43.806 ( -8.116 -7.766 7.414) 13.459 56.499 ( -11.762 26.796 22.309) 36.798 65.220 (-130.793 45.910 -74.490) 157.363 ======================= Grid point 287 (93/420) ======================= q-point: ( 0.11 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.647 ( 32.552 42.549 18.074) 56.540 3.965 ( 39.890 44.593 23.997) 64.464 5.749 ( 58.032 54.745 32.753) 86.240 8.580 ( 12.897 9.750 -1.348) 16.224 9.193 ( 33.118 -2.231 -15.192) 36.504 10.727 ( 1.310 -2.164 22.320) 22.463 11.893 ( -1.991 -4.107 -7.594) 8.860 12.401 ( 11.334 -1.638 1.578) 11.560 12.680 ( 27.809 -7.386 7.735) 29.794 13.495 ( -3.521 9.094 -16.338) 19.027 14.399 ( -6.879 14.261 17.501) 23.600 15.661 ( 2.845 -15.994 -6.043) 17.333 16.177 ( 2.977 -11.213 1.725) 11.729 17.457 ( 3.309 -15.139 -9.092) 17.967 18.713 ( 2.337 10.664 -0.669) 10.937 20.061 ( -8.944 -2.739 -2.774) 9.757 20.434 ( -8.371 -12.582 16.578) 22.432 22.807 ( -20.786 2.153 -7.675) 22.262 36.891 ( 10.679 3.297 1.779) 11.317 37.981 ( 16.193 -12.778 -3.818) 20.978 42.459 ( -13.368 24.030 -22.459) 35.504 43.621 ( -9.985 -4.567 5.193) 12.146 56.172 ( -21.056 28.464 19.628) 40.482 62.486 (-134.112 83.082 -31.227) 160.822 ======================= Grid point 288 (94/420) ======================= q-point: ( 0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.350 ( 38.623 30.000 17.580) 51.969 4.727 ( 38.960 38.971 22.568) 59.548 7.012 ( 65.983 32.585 18.119) 75.788 8.877 ( 20.658 14.959 0.072) 25.506 9.782 ( 19.673 -9.989 -8.617) 23.687 10.979 ( 27.709 -0.990 13.690) 30.922 11.849 ( -1.105 -5.997 -5.993) 8.550 12.527 ( 0.403 4.071 -1.565) 4.380 13.201 ( 18.459 0.476 4.481) 19.001 13.522 ( 13.884 0.042 -6.726) 15.428 14.468 ( 12.470 9.352 15.390) 21.905 15.677 ( -0.663 -11.376 -7.415) 13.595 16.203 ( -0.748 -17.746 4.308) 18.277 17.504 ( 1.735 -5.803 -10.544) 12.160 18.757 ( 1.989 10.468 0.711) 10.679 19.768 ( -19.997 -1.068 0.738) 20.039 20.313 ( -4.527 -19.570 8.660) 21.874 22.413 ( -19.198 -0.094 -4.514) 19.722 37.138 ( 14.344 3.136 1.617) 14.771 38.292 ( 15.113 -15.387 -3.805) 21.901 42.202 ( -12.210 24.354 -12.132) 29.822 43.425 ( -10.155 -3.381 1.429) 10.798 55.703 ( -26.161 30.105 15.846) 42.916 60.191 (-100.574 77.407 -13.018) 127.580 ======================= Grid point 289 (95/420) ======================= q-point: ( 0.22 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.131 ( 40.650 19.583 17.665) 48.456 5.507 ( 40.770 28.537 17.277) 52.679 8.116 ( 42.718 11.960 5.400) 44.688 9.498 ( 42.399 16.032 4.246) 45.527 9.966 ( 6.031 0.168 3.892) 7.180 11.517 ( 10.923 -9.952 -1.557) 14.859 12.043 ( 26.536 -8.445 -0.338) 27.850 12.467 ( -0.224 7.472 -4.761) 8.863 13.396 ( 8.227 3.378 -2.244) 9.172 14.023 ( 28.893 -7.587 2.106) 29.947 14.819 ( 21.602 2.804 13.574) 25.666 15.654 ( -1.118 -6.388 -8.062) 10.347 16.149 ( -4.175 -21.404 5.734) 22.548 17.531 ( 0.984 3.100 -11.794) 12.234 18.776 ( -0.997 6.644 0.146) 6.720 19.341 ( -21.745 2.706 6.888) 22.970 20.225 ( -4.892 -21.505 1.793) 22.127 22.053 ( -17.905 -3.160 -2.521) 18.356 37.442 ( 16.440 2.833 1.234) 16.728 38.561 ( 12.154 -14.647 -3.128) 19.288 41.998 ( -8.392 21.273 -5.365) 23.490 43.219 ( -10.968 -3.118 -1.134) 11.459 55.180 ( -26.532 31.116 11.849) 42.574 58.489 ( -75.446 61.026 -7.060) 97.294 ======================= Grid point 290 (96/420) ======================= q-point: ( 0.28 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.921 ( 39.748 12.288 17.116) 44.987 6.311 ( 41.069 16.697 13.121) 46.234 8.712 ( 21.502 -2.272 -0.695) 21.633 9.837 ( -1.721 -0.049 3.076) 3.525 10.705 ( 58.108 21.984 11.101) 63.112 11.552 ( 0.446 -12.423 -2.833) 12.750 12.129 ( -9.852 5.627 -1.695) 11.472 12.985 ( 34.203 -16.611 -10.903) 39.556 13.632 ( 18.661 -1.603 0.561) 18.738 14.515 ( 19.880 -5.694 -0.557) 20.687 15.218 ( 15.430 -8.190 13.847) 22.291 15.689 ( 7.209 0.697 -6.955) 10.042 16.096 ( 1.290 -17.464 6.304) 18.611 17.531 ( -1.496 7.362 -13.760) 15.677 18.625 ( -16.010 -5.631 1.927) 17.080 19.046 ( -5.966 16.058 9.811) 19.741 20.116 ( -6.225 -20.206 -1.612) 21.204 21.701 ( -18.314 -5.108 -1.187) 19.050 37.770 ( 16.890 2.341 0.597) 17.062 38.765 ( 8.699 -12.188 -2.200) 15.135 41.875 ( -4.286 16.721 -1.526) 17.329 42.994 ( -11.994 -2.993 -2.097) 12.539 54.693 ( -22.627 31.570 8.286) 39.715 57.181 ( -59.349 48.162 -4.745) 76.579 ======================= Grid point 291 (97/420) ======================= q-point: ( 0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.671 ( 36.543 7.813 16.087) 40.685 7.098 ( 38.914 5.406 10.942) 40.783 9.021 ( 10.212 -9.731 -0.018) 14.106 9.778 ( -3.040 1.147 4.295) 5.386 11.351 ( 2.388 -3.297 -2.340) 4.695 11.913 ( -10.053 4.068 -2.508) 11.131 12.041 ( 51.532 7.782 8.444) 52.796 13.403 ( 12.171 -12.490 -17.715) 24.859 14.111 ( 23.320 -22.490 6.182) 32.982 14.765 ( 5.432 0.512 -10.453) 11.792 15.381 ( 5.856 -16.134 13.238) 21.676 15.896 ( 9.442 -4.022 -0.502) 10.276 16.348 ( 25.787 -2.951 6.087) 26.659 17.454 ( -6.451 6.349 -17.071) 19.322 18.282 ( -15.669 0.197 11.832) 19.636 19.011 ( -0.194 14.588 5.167) 15.477 19.990 ( -6.253 -16.482 -2.668) 17.829 21.328 ( -19.999 -5.318 -0.248) 20.695 38.092 ( 15.796 1.590 -0.331) 15.880 38.900 ( 5.074 -9.119 -1.176) 10.502 41.828 ( -0.536 12.026 0.509) 12.049 42.753 ( -12.548 -2.642 -1.858) 12.957 54.316 ( -15.443 31.791 5.321) 35.742 56.141 ( -47.395 40.393 -3.354) 62.363 ======================= Grid point 292 (98/420) ======================= q-point: ( 0.39 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.338 ( 31.417 5.197 15.267) 35.315 7.810 ( 32.970 -3.176 10.257) 34.675 9.110 ( -0.373 -11.240 3.217) 11.697 9.726 ( -2.936 -5.099 2.979) 6.595 11.334 ( -1.343 -6.943 -4.099) 8.174 11.710 ( -9.688 1.701 -1.769) 9.994 12.994 ( 39.342 5.467 0.768) 39.728 13.625 ( 14.028 -9.369 -15.338) 22.800 14.395 ( 6.947 -31.993 9.103) 33.981 14.739 ( -6.718 2.664 -13.458) 15.276 15.562 ( 11.430 -12.836 8.571) 19.206 16.025 ( 3.378 -14.145 3.467) 14.951 16.943 ( 27.909 4.693 1.555) 28.344 17.339 ( -0.077 5.050 -14.938) 15.768 18.058 ( -7.235 9.829 17.702) 21.502 18.985 ( -3.564 7.094 1.920) 8.168 19.895 ( -2.619 -10.087 -2.146) 10.640 20.919 ( -21.628 -3.818 0.339) 21.965 38.379 ( 13.307 0.465 -1.647) 13.417 38.963 ( 1.442 -5.985 0.050) 6.157 41.851 ( 2.846 7.785 1.384) 8.404 42.510 ( -12.192 -1.844 -0.879) 12.362 54.102 ( -6.156 31.999 2.796) 32.706 55.320 ( -36.653 36.274 -2.050) 51.609 ======================= Grid point 293 (99/420) ======================= q-point: ( 0.44 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.887 ( 24.297 3.285 14.703) 28.588 8.310 ( 14.592 -3.791 12.560) 19.622 9.092 ( 2.169 -14.112 2.152) 14.438 9.621 ( -8.534 -13.875 3.300) 16.620 11.328 ( 0.961 -4.832 -4.558) 6.712 11.542 ( -7.334 -0.787 -1.326) 7.494 13.452 ( 10.617 -1.393 -21.163) 23.718 14.036 ( 23.520 -11.106 -1.024) 26.031 14.453 ( -0.666 -24.155 7.823) 25.399 14.584 ( -6.746 -0.805 -8.400) 10.803 15.755 ( 7.814 -12.995 6.186) 16.376 16.014 ( -4.185 -18.620 4.445) 19.595 17.109 ( -0.861 14.249 -15.030) 20.729 17.681 ( 17.991 10.368 5.475) 21.474 18.043 ( 10.955 4.160 14.935) 18.983 18.831 ( -12.956 -1.602 0.964) 13.090 19.922 ( 5.942 -2.931 -1.173) 6.729 20.498 ( -20.762 -1.297 0.446) 20.807 38.602 ( 9.116 -1.226 -3.723) 9.923 38.960 ( -1.485 -2.958 1.973) 3.853 41.937 ( 5.819 4.204 1.324) 7.300 42.283 ( -10.727 -0.435 0.461) 10.745 54.081 ( 3.904 32.235 0.291) 32.472 54.709 ( -25.615 34.326 -0.289) 42.832 ======================= Grid point 294 (100/420) ======================= q-point: (-0.50 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.217 ( 0.000 0.555 12.382) 12.394 8.346 ( 0.000 2.416 17.508) 17.674 9.205 ( 0.000 -20.604 -4.521) 21.095 9.463 ( -0.000 -16.236 7.832) 18.026 11.355 ( 0.000 -2.353 -5.252) 5.755 11.451 ( 0.000 -3.074 -0.554) 3.124 13.549 ( 0.000 -2.204 -27.245) 27.334 14.332 ( 0.000 -25.102 -8.045) 26.360 14.389 ( -0.000 -6.835 8.329) 10.775 14.522 ( -0.000 -5.623 1.933) 5.946 15.874 ( 0.000 -21.549 6.010) 22.371 15.914 ( -0.000 -9.624 5.036) 10.862 17.100 ( 0.000 16.459 -15.722) 22.762 17.788 ( 0.000 19.723 15.289) 24.955 18.465 ( 0.000 -5.951 3.332) 6.820 18.473 ( -0.000 -4.602 3.461) 5.758 20.105 ( -0.000 -1.177 -1.508) 1.913 20.166 ( 0.000 1.128 1.044) 1.537 38.704 ( -0.000 -2.857 -6.113) 6.747 38.934 ( 0.000 -0.861 4.291) 4.377 42.050 ( 0.000 1.320 -0.457) 1.396 42.122 ( -0.000 1.711 2.705) 3.201 54.200 ( -0.000 32.053 -4.187) 32.325 54.377 ( 0.000 34.045 3.940) 34.273 ======================= Grid point 304 (101/420) ======================= q-point: ( 0.00 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.699 ( 0.000 51.449 16.264) 53.958 4.234 ( 0.000 60.921 9.799) 61.704 6.325 ( 0.000 82.276 36.986) 90.207 7.814 ( 0.000 -14.158 -4.501) 14.856 9.037 ( 0.000 4.636 -18.906) 19.467 10.643 ( 0.000 -7.656 32.734) 33.618 11.722 ( 0.000 -3.717 -0.829) 3.809 11.997 ( 0.000 -1.487 1.350) 2.009 12.088 ( 0.000 -1.388 5.863) 6.025 13.736 ( 0.000 10.631 -20.781) 23.342 14.778 ( 0.000 -20.261 9.934) 22.566 15.274 ( 0.000 4.535 1.430) 4.755 15.994 ( 0.000 -4.708 -1.679) 4.998 16.865 ( 0.000 -23.883 -0.983) 23.903 18.854 ( 0.000 5.588 -1.121) 5.699 20.023 ( 0.000 -8.511 5.649) 10.215 20.678 ( 0.000 1.308 7.314) 7.430 23.281 ( 0.000 -5.435 -8.530) 10.115 36.751 ( 0.000 4.470 1.503) 4.716 37.506 ( 0.000 -3.594 -1.768) 4.005 43.014 ( 0.000 7.599 -23.908) 25.087 43.726 ( 0.000 -6.924 2.004) 7.208 57.408 ( 0.000 51.316 7.096) 51.804 66.189 ( 0.000 -46.677 -65.179) 80.169 ======================= Grid point 305 (102/420) ======================= q-point: ( 0.06 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.033 ( 29.634 48.572 15.860) 59.067 4.361 ( 14.044 57.132 10.188) 59.708 6.446 ( 13.256 75.961 33.893) 84.229 8.055 ( 23.355 -12.674 -3.701) 26.829 9.047 ( 1.552 3.270 -17.895) 18.257 10.619 ( -1.465 -6.948 30.371) 31.190 11.816 ( 5.356 -2.577 -3.364) 6.829 12.083 ( 8.895 -3.641 2.184) 9.856 12.183 ( 11.958 -1.235 7.231) 14.028 13.726 ( -1.114 10.043 -21.290) 23.567 14.666 ( -8.916 -11.420 12.900) 19.399 15.344 ( 5.374 -0.910 0.370) 5.463 15.995 ( -0.068 -5.993 -0.975) 6.072 16.934 ( 6.840 -22.361 -1.852) 23.457 18.855 ( 0.022 4.103 -1.021) 4.228 19.976 ( -4.893 -9.209 5.637) 11.854 20.613 ( -6.390 2.255 6.685) 9.519 23.138 ( -13.845 -4.236 -7.849) 16.470 36.807 ( 5.672 4.435 1.609) 7.378 37.585 ( 7.728 -4.886 -1.782) 9.315 42.955 ( -5.904 8.612 -22.343) 24.663 43.669 ( -5.503 -5.994 1.856) 8.346 57.291 ( -11.803 50.793 6.987) 52.613 65.338 ( -80.669 -24.621 -54.741) 100.550 ======================= Grid point 306 (103/420) ======================= q-point: ( 0.11 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.557 ( 22.732 47.311 12.526) 53.963 4.891 ( 36.698 47.395 15.591) 61.936 6.892 ( 33.050 57.240 24.314) 70.426 8.625 ( 30.752 -5.486 -1.412) 31.269 9.146 ( 10.953 -4.222 -14.645) 18.768 10.639 ( 5.195 -6.025 25.558) 26.767 11.818 ( -3.769 -1.840 -3.750) 5.627 12.337 ( 13.951 -4.019 -1.393) 14.584 12.575 ( 27.116 -3.114 7.683) 28.355 13.685 ( -3.203 9.213 -19.690) 21.973 14.526 ( -3.533 -2.162 16.746) 17.250 15.438 ( 3.899 -4.125 -0.740) 5.724 15.979 ( -1.850 -8.896 0.721) 9.115 17.115 ( 11.078 -17.337 -4.262) 21.011 18.850 ( -0.763 -0.734 -0.556) 1.196 19.829 ( -10.186 -9.745 5.902) 15.283 20.447 ( -9.940 4.359 4.616) 11.794 22.787 ( -20.816 -2.908 -6.256) 21.929 36.968 ( 10.556 4.339 1.830) 11.558 37.789 ( 12.548 -7.471 -1.664) 14.698 42.791 ( -10.500 11.048 -17.770) 23.411 43.529 ( -8.397 -4.566 0.724) 9.585 56.962 ( -21.277 49.364 6.620) 54.161 63.391 (-109.562 11.998 -35.291) 115.729 ======================= Grid point 307 (104/420) ======================= q-point: ( 0.17 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.037 ( 26.873 37.776 12.313) 47.967 5.577 ( 32.434 45.220 18.499) 58.643 7.668 ( 41.534 30.805 10.521) 52.770 9.136 ( 24.699 8.026 -1.038) 25.991 9.521 ( 23.163 -13.410 -1.894) 26.832 10.896 ( 22.347 -8.415 17.330) 29.505 11.720 ( -5.151 -4.628 -4.245) 8.122 12.549 ( 6.577 -0.657 -7.369) 9.899 13.168 ( 31.350 -3.718 6.743) 32.282 13.621 ( -1.750 8.377 -11.686) 14.485 14.567 ( 7.543 -1.522 15.701) 17.485 15.500 ( 2.687 -3.179 -1.061) 4.295 15.921 ( -3.839 -10.846 2.293) 11.731 17.341 ( 11.370 -9.894 -7.735) 16.941 18.805 ( -4.686 -10.441 0.756) 11.469 19.594 ( -12.722 -4.503 6.540) 14.997 20.251 ( -9.633 4.921 1.397) 10.907 22.365 ( -21.640 -3.796 -4.381) 22.403 37.211 ( 14.108 4.168 1.998) 14.846 38.053 ( 14.000 -9.323 -1.224) 16.864 42.565 ( -12.028 13.054 -11.909) 21.375 43.350 ( -9.766 -3.978 -1.132) 10.605 56.485 ( -26.689 47.362 5.929) 54.687 61.298 (-101.018 32.156 -20.720) 108.019 ======================= Grid point 308 (105/420) ======================= q-point: ( 0.22 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.602 ( 30.517 27.175 13.022) 42.888 6.180 ( 29.831 38.161 17.462) 51.488 8.321 ( 23.500 7.203 -0.867) 24.594 9.630 ( 16.509 -4.967 2.201) 17.380 10.057 ( 41.647 9.719 10.940) 44.143 11.341 ( 9.852 -7.904 5.898) 13.941 11.759 ( 18.058 -16.968 -3.176) 24.982 12.591 ( -0.750 4.279 -12.694) 13.417 13.554 ( 5.377 10.923 4.003) 12.816 13.854 ( 27.912 -8.400 -2.617) 29.266 14.770 ( 10.981 -9.719 13.266) 19.774 15.568 ( 5.633 1.786 -0.485) 5.929 15.854 ( -2.052 -9.354 3.040) 10.047 17.529 ( 6.985 -3.660 -12.148) 14.483 18.638 ( -12.160 -20.924 3.994) 24.528 19.389 ( -7.243 6.297 6.380) 11.525 20.078 ( -8.008 3.266 -1.544) 8.785 21.953 ( -20.411 -6.056 -2.514) 21.438 37.509 ( 16.035 3.866 1.987) 16.614 38.321 ( 13.078 -9.688 -0.471) 16.283 42.340 ( -10.642 13.207 -6.928) 18.321 43.148 ( -10.926 -3.950 -2.395) 11.863 55.949 ( -27.309 45.150 4.928) 52.997 59.499 ( -82.592 37.307 -12.551) 91.492 ======================= Grid point 309 (106/420) ======================= q-point: ( 0.28 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.216 ( 31.975 17.475 13.664) 38.916 6.755 ( 28.995 27.377 15.065) 42.628 8.648 ( 11.865 -4.900 -2.857) 13.151 9.769 ( 1.436 -5.701 8.023) 9.947 11.074 ( 54.018 4.298 8.176) 54.802 11.315 ( -3.620 -2.296 -0.864) 4.373 12.119 ( 4.995 -10.070 -0.308) 11.245 12.703 ( 17.182 -7.781 -14.917) 24.048 13.671 ( 7.252 5.538 5.782) 10.802 14.376 ( 23.243 -8.320 -4.202) 25.042 14.918 ( 4.230 -19.347 11.205) 22.754 15.745 ( 8.042 4.213 -1.415) 9.188 15.906 ( 12.481 -2.338 6.143) 14.106 17.576 ( -2.866 -4.288 -16.566) 17.350 18.403 ( -9.302 -14.597 8.420) 19.248 19.295 ( -3.474 9.228 5.092) 11.098 19.939 ( -6.088 1.928 -3.001) 7.056 21.564 ( -19.544 -7.984 -0.813) 21.128 37.828 ( 16.255 3.370 1.706) 16.688 38.556 ( 10.740 -8.821 0.509) 13.907 42.159 ( -7.720 11.638 -3.443) 14.384 42.924 ( -11.809 -3.927 -2.626) 12.719 55.446 ( -23.455 43.011 3.722) 49.132 58.057 ( -65.382 36.795 -8.062) 75.457 ======================= Grid point 310 (107/420) ======================= q-point: ( 0.33 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.840 ( 31.556 9.434 13.968) 35.776 7.307 ( 27.216 15.778 13.109) 34.080 8.819 ( 5.854 -10.807 -0.476) 12.300 9.733 ( -4.962 -5.000 8.834) 11.298 11.211 ( -3.211 -10.802 -3.552) 11.815 11.907 ( 4.057 -4.940 -1.906) 6.671 12.244 ( 34.529 10.288 7.257) 36.752 13.077 ( 16.909 -19.426 -16.235) 30.445 13.807 ( 5.540 -6.276 7.755) 11.411 14.687 ( 6.717 -10.436 -4.821) 13.315 15.054 ( 12.851 -13.295 6.664) 19.655 15.789 ( -1.251 -6.532 0.852) 6.705 16.377 ( 31.070 5.230 4.938) 31.892 17.458 ( -6.511 -5.693 -16.271) 18.427 18.307 ( -1.658 1.510 9.873) 10.125 19.214 ( -5.550 6.412 2.461) 8.830 19.848 ( -3.024 2.160 -2.320) 4.381 21.183 ( -19.488 -8.594 0.565) 21.306 38.134 ( 14.856 2.619 1.060) 15.122 38.736 ( 7.578 -7.216 1.688) 10.599 42.041 ( -4.242 9.102 -1.236) 10.118 42.691 ( -11.944 -3.555 -2.031) 12.626 55.054 ( -16.160 41.107 2.400) 44.235 56.924 ( -50.897 35.669 -5.257) 62.373 ======================= Grid point 311 (108/420) ======================= q-point: ( 0.39 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.438 ( 29.129 4.172 14.070) 32.617 7.809 ( 23.828 4.536 11.984) 27.055 8.877 ( -0.003 -12.284 2.840) 12.608 9.574 ( -11.156 -9.534 7.881) 16.658 11.187 ( 0.797 -8.028 -3.619) 8.842 11.758 ( -10.451 2.862 -1.546) 10.946 12.939 ( 26.081 -14.796 0.301) 29.987 13.386 ( 16.816 -13.782 -13.221) 25.446 13.880 ( 2.436 -15.870 4.326) 16.629 14.708 ( -2.593 -5.558 0.837) 6.190 15.337 ( 12.690 -9.532 -0.863) 15.895 15.732 ( -3.050 -14.367 3.681) 15.142 17.031 ( 33.632 5.167 0.674) 34.033 17.405 ( 2.280 1.744 -13.321) 13.627 18.289 ( -0.906 10.906 12.006) 16.245 19.061 ( -10.382 2.921 -0.154) 10.786 19.830 ( 1.422 2.376 -0.802) 2.883 20.801 ( -19.456 -7.559 1.451) 20.923 38.399 ( 11.969 1.563 -0.096) 12.071 38.849 ( 4.047 -5.273 3.171) 7.365 41.994 ( -0.647 6.239 -0.031) 6.273 42.464 ( -11.010 -2.649 -0.973) 11.366 54.828 ( -6.712 39.485 0.942) 40.063 56.055 ( -38.194 35.356 -3.124) 52.140 ======================= Grid point 312 (109/420) ======================= q-point: ( 0.44 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.955 ( 22.786 2.641 14.283) 27.022 8.218 ( 16.734 -3.957 12.493) 21.254 8.832 ( -3.460 -11.866 3.480) 12.841 9.312 ( -14.741 -16.052 7.752) 23.132 11.239 ( 4.398 -4.044 -3.137) 6.748 11.555 ( -9.914 2.451 -0.866) 10.250 13.262 ( 10.151 -24.975 -10.669) 28.994 13.707 ( 13.043 -18.047 -5.137) 22.851 13.907 ( 0.061 -21.189 -2.027) 21.286 14.613 ( -6.201 0.657 2.339) 6.660 15.504 ( 5.265 -12.162 -0.402) 13.259 15.726 ( 1.731 -11.103 5.815) 12.653 17.409 ( 5.363 14.739 -17.442) 23.457 17.744 ( 28.925 -1.296 -0.821) 28.966 18.269 ( -0.304 14.208 16.431) 21.724 18.799 ( -16.552 1.608 0.498) 16.637 19.910 ( 6.899 0.630 -0.285) 6.933 20.434 ( -17.604 -4.940 1.766) 18.369 38.592 ( 7.401 0.245 -2.006) 7.672 38.896 ( 0.930 -3.319 5.234) 6.268 42.015 ( 2.755 3.440 0.259) 4.415 42.268 ( -8.879 -1.148 0.249) 8.956 54.797 ( 3.471 38.122 -0.963) 38.292 55.426 ( -25.980 35.814 -0.929) 44.254 ======================= Grid point 313 (110/420) ======================= q-point: (-0.50 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.235 ( 0.000 1.088 13.072) 13.117 8.374 ( 0.000 -0.338 17.844) 17.847 8.810 ( 0.000 -17.353 -3.043) 17.618 9.107 ( 0.000 -18.407 10.688) 21.285 11.329 ( 0.000 -0.245 -3.929) 3.937 11.410 ( 0.000 -0.496 0.331) 0.596 13.370 ( 0.000 -23.998 -14.302) 27.937 13.845 ( 0.000 -38.798 11.877) 40.575 13.892 ( 0.000 -9.180 -20.269) 22.251 14.535 ( 0.000 1.507 3.619) 3.920 15.563 ( 0.000 -11.585 1.004) 11.628 15.745 ( 0.000 -8.316 6.302) 10.434 17.461 ( 0.000 17.899 -19.555) 26.510 18.088 ( 0.000 3.566 1.520) 3.876 18.411 ( -0.000 0.072 3.770) 3.770 18.440 ( 0.000 10.446 12.879) 16.583 20.062 ( -0.000 -3.327 -1.801) 3.784 20.173 ( 0.000 -0.700 3.260) 3.335 38.669 ( 0.000 -0.622 -3.679) 3.732 38.901 ( 0.000 -2.223 6.949) 7.296 42.077 ( 0.000 1.263 -1.027) 1.628 42.145 ( -0.000 0.581 2.071) 2.151 54.908 ( -0.000 37.258 -5.229) 37.623 55.095 ( 0.000 36.433 3.417) 36.592 ======================= Grid point 323 (111/420) ======================= q-point: ( 0.00 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.685 ( 0.000 47.091 11.382) 48.446 5.390 ( 0.000 54.966 7.832) 55.521 7.475 ( 0.000 -19.962 -1.348) 20.008 7.804 ( 0.000 58.574 12.530) 59.899 8.915 ( 0.000 -8.428 2.695) 8.848 10.522 ( 0.000 -6.304 16.959) 18.093 11.658 ( 0.000 -2.613 -1.307) 2.922 11.961 ( 0.000 -1.986 -0.162) 1.992 12.161 ( 0.000 8.236 14.595) 16.758 13.789 ( 0.000 -11.506 -17.057) 20.575 14.586 ( 0.000 6.617 11.239) 13.042 15.365 ( 0.000 4.516 1.194) 4.672 15.898 ( 0.000 -4.773 -1.157) 4.911 16.419 ( 0.000 -20.714 -0.668) 20.725 18.822 ( 0.000 -7.638 6.879) 10.279 19.949 ( 0.000 1.361 -1.003) 1.691 20.646 ( 0.000 -4.841 3.763) 6.132 23.181 ( 0.000 -4.172 -5.524) 6.922 36.845 ( 0.000 4.771 1.205) 4.921 37.429 ( 0.000 -4.017 -1.327) 4.230 43.120 ( 0.000 3.650 -15.699) 16.118 43.611 ( 0.000 -4.703 -3.827) 6.063 58.606 ( 0.000 67.955 -3.281) 68.034 65.006 ( 0.000 -69.585 -44.061) 82.361 ======================= Grid point 324 (112/420) ======================= q-point: ( 0.06 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.973 ( 26.841 45.205 11.175) 53.747 5.459 ( 7.751 52.647 7.653) 53.762 7.637 ( 12.776 4.874 1.770) 13.788 7.912 ( 14.248 29.552 8.544) 33.902 8.926 ( 1.696 -7.500 2.978) 8.246 10.489 ( -2.468 -7.395 16.925) 18.635 11.790 ( 10.493 -0.662 -1.971) 10.697 12.040 ( 6.244 -0.935 2.963) 6.974 12.219 ( 8.857 5.525 10.610) 14.884 13.773 ( -1.531 -10.947 -16.285) 19.682 14.548 ( -3.208 6.932 11.453) 13.767 15.398 ( 2.925 4.117 0.809) 5.115 15.877 ( -1.972 -5.681 -0.578) 6.041 16.525 ( 10.338 -18.573 -1.074) 21.283 18.782 ( -4.249 -9.936 7.222) 12.998 19.908 ( -3.998 2.194 -0.997) 4.668 20.600 ( -4.458 -3.781 3.202) 6.665 23.056 ( -12.385 -3.537 -5.430) 13.978 36.900 ( 5.615 4.752 1.359) 7.480 37.491 ( 6.232 -4.485 -1.194) 7.770 43.075 ( -4.530 4.095 -14.993) 16.188 43.566 ( -4.484 -4.352 -3.782) 7.304 58.470 ( -13.658 66.585 -3.008) 68.038 64.479 ( -51.511 -57.786 -40.026) 87.147 ======================= Grid point 325 (113/420) ======================= q-point: ( 0.11 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.485 ( 18.535 44.873 9.708) 49.512 5.820 ( 32.420 45.247 9.167) 56.412 7.864 ( 11.947 32.863 5.103) 35.337 8.421 ( 33.948 -13.432 1.748) 36.551 9.025 ( 10.089 -2.830 4.686) 11.478 10.472 ( 2.013 -10.847 16.685) 20.003 11.867 ( -3.223 6.359 2.682) 7.617 12.254 ( 14.853 -4.146 0.943) 15.450 12.559 ( 24.465 1.633 2.869) 24.687 13.738 ( -1.656 -8.134 -13.011) 15.433 14.494 ( -1.577 6.054 11.356) 12.965 15.466 ( 4.003 3.862 0.111) 5.563 15.824 ( -3.365 -6.181 1.236) 7.145 16.795 ( 16.386 -14.677 -2.959) 22.196 18.650 ( -9.419 -16.271 8.303) 20.553 19.802 ( -6.513 4.826 -0.923) 8.158 20.482 ( -7.248 -1.053 1.621) 7.501 22.726 ( -20.441 -2.667 -5.081) 21.231 37.059 ( 10.446 4.695 1.744) 11.585 37.662 ( 10.839 -5.512 -0.780) 12.185 42.947 ( -8.442 5.335 -12.869) 16.289 43.444 ( -7.717 -3.821 -3.847) 9.431 58.091 ( -24.486 62.864 -2.299) 67.503 63.146 ( -80.206 -32.502 -30.919) 91.899 ======================= Grid point 326 (114/420) ======================= q-point: ( 0.17 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.812 ( 17.463 39.114 8.457) 43.662 6.483 ( 30.787 44.574 12.413) 55.577 8.123 ( 13.361 11.513 -0.427) 17.642 9.069 ( 29.278 -10.603 2.797) 31.264 9.405 ( 29.550 -0.073 7.761) 30.552 10.623 ( 15.018 -17.958 14.507) 27.541 11.751 ( -7.315 7.904 3.210) 11.238 12.503 ( 9.409 -3.975 -5.320) 11.517 13.113 ( 30.573 -0.765 0.020) 30.583 13.725 ( 0.720 -1.742 -6.800) 7.056 14.500 ( 1.980 0.978 10.452) 10.682 15.559 ( 5.823 4.884 -0.093) 7.601 15.753 ( -3.391 -4.827 3.420) 6.819 17.129 ( 16.565 -11.116 -7.242) 21.223 18.415 ( -14.027 -23.199 10.429) 29.047 19.672 ( -6.365 8.051 -0.570) 10.279 20.331 ( -7.984 2.128 -0.541) 8.280 22.292 ( -23.199 -3.073 -4.272) 23.789 37.300 ( 13.909 4.587 2.201) 14.810 37.900 ( 13.123 -6.379 -0.092) 14.592 42.756 ( -10.712 6.791 -9.769) 16.009 43.272 ( -9.756 -3.751 -4.038) 11.205 57.544 ( -30.537 57.725 -1.425) 65.320 61.503 ( -84.622 -9.563 -21.707) 87.884 ======================= Grid point 327 (115/420) ======================= q-point: ( 0.22 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.187 ( 20.800 30.947 8.405) 38.223 6.989 ( 21.751 41.943 14.674) 49.474 8.343 ( 9.003 -5.984 -3.308) 11.305 9.514 ( 15.153 -2.755 8.153) 17.426 10.098 ( 38.191 -9.103 7.511) 39.973 11.069 ( 28.314 -21.666 9.843) 36.986 11.630 ( -3.009 7.782 0.525) 8.360 12.616 ( 2.744 -1.836 -10.103) 10.629 13.682 ( 21.554 -3.071 0.975) 21.793 13.792 ( 10.824 5.033 -3.991) 12.587 14.540 ( 1.195 -8.147 9.587) 12.638 15.694 ( 4.710 -4.461 1.193) 6.596 15.740 ( 6.534 9.623 4.089) 12.330 17.377 ( 6.365 -11.643 -14.539) 19.684 18.165 ( -8.509 -22.007 14.250) 27.564 19.560 ( -5.094 9.079 0.141) 10.411 20.179 ( -7.327 4.691 -2.525) 9.059 21.840 ( -22.614 -4.718 -2.822) 23.272 37.592 ( 15.680 4.371 2.574) 16.481 38.161 ( 13.247 -6.640 0.828) 14.841 42.542 ( -10.821 7.572 -6.583) 14.757 43.067 ( -11.093 -4.018 -3.931) 12.435 56.931 ( -31.190 52.162 -0.673) 60.779 59.923 ( -75.644 5.292 -14.691) 77.239 ======================= Grid point 328 (116/420) ======================= q-point: ( 0.28 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.616 ( 22.761 22.432 8.833) 33.156 7.370 ( 17.771 33.176 15.347) 40.645 8.488 ( 6.094 -11.421 -2.241) 13.137 9.681 ( 2.712 -1.355 13.037) 13.385 10.688 ( 17.202 -30.861 2.622) 35.428 11.569 ( 18.326 12.529 3.915) 22.542 11.802 ( 25.060 -15.289 2.541) 29.466 12.649 ( 1.613 -1.344 -12.939) 13.109 13.813 ( 2.161 6.866 5.760) 9.219 14.210 ( 17.752 -6.657 -6.871) 20.166 14.575 ( 6.312 -13.365 8.337) 16.970 15.732 ( 0.172 -3.930 2.331) 4.573 16.029 ( 20.710 11.495 3.625) 23.962 17.342 ( -6.549 -17.521 -15.295) 24.162 18.164 ( 6.695 -8.233 11.419) 15.589 19.464 ( -5.111 8.133 0.493) 9.618 20.049 ( -5.834 6.023 -3.394) 9.046 21.413 ( -21.040 -6.449 -0.828) 22.021 37.902 ( 15.679 3.979 2.733) 16.405 38.407 ( 11.700 -6.247 1.931) 13.404 42.344 ( -9.161 7.270 -3.910) 12.332 42.842 ( -11.708 -4.171 -3.295) 12.859 56.355 ( -27.012 46.860 -0.230) 54.089 58.571 ( -62.337 13.954 -9.833) 64.632 ======================= Grid point 329 (117/420) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.068 ( 23.292 13.857 9.495) 28.717 7.697 ( 15.830 22.043 15.288) 31.149 8.584 ( 3.691 -12.566 0.200) 13.099 9.627 ( -8.216 -4.452 14.821) 17.521 10.852 ( 4.785 -26.141 -1.407) 26.613 11.806 ( 6.064 -1.902 -0.270) 6.361 12.365 ( 23.019 -0.795 5.270) 23.628 12.725 ( 8.984 -14.029 -12.621) 20.900 13.800 ( -2.964 3.688 3.449) 5.855 14.411 ( 7.963 -13.375 2.373) 15.746 14.862 ( 18.035 -8.153 -1.876) 19.881 15.655 ( -7.912 -6.175 2.302) 10.297 16.527 ( 29.289 8.848 2.373) 30.688 17.284 ( 2.589 -10.176 -12.866) 16.607 18.320 ( 7.605 -0.061 7.564) 10.726 19.351 ( -6.598 8.131 -0.296) 10.475 19.953 ( -3.939 5.426 -2.548) 7.173 21.015 ( -19.720 -7.466 1.304) 21.127 38.195 ( 14.012 3.355 2.560) 14.633 38.611 ( 8.996 -5.372 3.204) 10.957 42.191 ( -6.397 6.053 -1.935) 9.017 42.615 ( -11.327 -3.880 -2.251) 12.183 55.898 ( -19.267 42.140 -0.176) 46.336 57.485 ( -48.818 19.463 -6.452) 52.950 ======================= Grid point 330 (118/420) ======================= q-point: ( 0.39 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.521 ( 22.852 5.325 10.084) 25.539 7.988 ( 13.766 11.851 15.240) 23.711 8.628 ( 0.607 -12.112 2.725) 12.429 9.376 ( -16.590 -9.858 14.227) 23.975 10.972 ( 7.856 -14.667 -2.054) 16.765 11.814 ( -4.832 2.971 -0.917) 5.746 12.556 ( 3.274 -16.803 -2.430) 17.291 13.012 ( 12.879 -24.414 -0.341) 27.605 13.757 ( 0.053 0.240 -6.624) 6.629 14.578 ( 6.831 -5.887 6.336) 11.021 15.137 ( 8.682 -11.856 -6.493) 16.065 15.516 ( -2.581 -6.061 4.316) 7.876 17.123 ( 29.725 2.954 -1.094) 29.891 17.440 ( 12.650 2.280 -13.080) 18.339 18.432 ( 3.632 4.147 8.742) 10.335 19.202 ( -8.725 11.246 -0.986) 14.267 19.898 ( -1.543 2.592 -0.917) 3.153 20.642 ( -18.339 -7.726 3.011) 20.127 38.440 ( 10.875 2.505 1.908) 11.322 38.755 ( 5.635 -4.240 4.703) 8.476 42.098 ( -3.061 4.292 -0.679) 5.315 42.407 ( -9.802 -3.016 -1.066) 10.311 55.616 ( -9.394 38.051 -0.564) 39.198 56.655 ( -36.152 23.629 -3.946) 43.369 ======================= Grid point 331 (119/420) ======================= q-point: ( 0.44 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.953 ( 20.742 -2.083 10.400) 23.296 8.224 ( 9.646 4.134 15.451) 18.678 8.608 ( -2.256 -10.566 4.489) 11.700 9.020 ( -18.551 -12.768 13.365) 26.187 11.154 ( 10.552 -5.045 -1.734) 11.824 11.642 ( -11.683 6.073 -0.672) 13.184 12.645 ( 6.232 -29.557 -3.946) 30.463 13.107 ( -2.016 -34.397 5.764) 34.934 13.820 ( 5.331 2.120 -16.972) 17.915 14.581 ( -5.522 -4.722 4.347) 8.467 15.284 ( 8.241 -9.187 -2.628) 12.619 15.553 ( 3.011 -6.014 4.665) 8.185 17.563 ( 13.778 -0.831 -11.363) 17.879 17.777 ( 19.291 4.809 -11.197) 22.818 18.480 ( 2.715 9.259 11.710) 15.173 19.003 ( -11.570 17.241 2.888) 20.964 19.904 ( 2.412 -2.031 -0.336) 3.171 20.312 ( -14.776 -6.990 3.924) 16.811 38.611 ( 6.312 1.580 0.630) 6.537 38.832 ( 2.292 -3.127 6.512) 7.578 42.072 ( 0.403 2.328 -0.189) 2.370 42.239 ( -7.162 -1.640 0.037) 7.348 55.536 ( 1.190 34.519 -1.616) 34.577 56.067 ( -23.945 27.157 -1.744) 36.248 ======================= Grid point 332 (120/420) ======================= q-point: (-0.50 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.250 ( -0.000 -0.061 14.271) 14.271 8.294 ( 0.000 -7.456 9.523) 12.095 8.584 ( -0.000 -5.057 8.563) 9.945 8.770 ( 0.000 -14.515 11.899) 18.769 11.344 ( 0.000 1.617 -3.273) 3.651 11.435 ( 0.000 2.614 1.350) 2.942 12.737 ( -0.000 -32.306 -6.692) 32.991 13.050 ( 0.000 -37.759 9.073) 38.834 13.890 ( 0.000 3.396 -21.666) 21.931 14.499 ( 0.000 -6.301 5.372) 8.280 15.388 ( -0.000 -5.367 -1.899) 5.693 15.579 ( 0.000 -7.880 5.573) 9.652 17.703 ( 0.000 5.029 -18.612) 19.280 17.984 ( 0.000 -8.512 -6.473) 10.694 18.560 ( -0.000 15.558 2.014) 15.688 18.824 ( 0.000 22.236 15.081) 26.868 19.964 ( -0.000 -6.613 -1.956) 6.896 20.125 ( 0.000 -4.343 5.495) 7.004 38.675 ( 0.000 1.092 -0.433) 1.175 38.852 ( 0.000 -2.577 7.755) 8.172 42.097 ( 0.000 0.812 -0.952) 1.251 42.147 ( 0.000 -0.321 1.356) 1.393 55.615 ( 0.000 32.253 -4.954) 32.631 55.765 ( 0.000 29.426 1.958) 29.491 ======================= Grid point 342 (121/420) ======================= q-point: ( 0.00 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.555 ( 0.000 39.667 7.966) 40.459 6.419 ( 0.000 48.215 5.210) 48.496 7.020 ( 0.000 -25.371 1.637) 25.424 8.009 ( 0.000 -26.876 -10.960) 29.025 9.361 ( 0.000 40.790 31.573) 51.582 10.377 ( 0.000 -7.554 8.031) 11.025 11.620 ( 0.000 -1.263 -1.219) 1.756 11.925 ( 0.000 -1.441 -1.647) 2.188 12.378 ( 0.000 13.020 13.791) 18.966 13.367 ( 0.000 -25.551 -3.534) 25.794 14.917 ( 0.000 20.299 1.512) 20.355 15.446 ( 0.000 3.357 0.954) 3.490 15.812 ( 0.000 -3.544 -0.696) 3.612 16.035 ( 0.000 -17.636 0.260) 17.638 18.651 ( 0.000 -7.365 12.209) 14.259 20.024 ( 0.000 4.692 -4.355) 6.402 20.511 ( 0.000 -7.369 0.881) 7.422 23.121 ( 0.000 -1.870 -3.968) 4.386 36.932 ( 0.000 3.662 0.905) 3.772 37.354 ( 0.000 -3.228 -0.923) 3.357 43.172 ( 0.000 1.692 -10.271) 10.409 43.538 ( 0.000 -2.575 -8.777) 9.147 60.069 ( 0.000 77.322 -11.910) 78.234 63.502 ( 0.000 -79.290 -31.759) 85.414 ======================= Grid point 343 (122/420) ======================= q-point: ( 0.06 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.806 ( 23.759 37.489 7.776) 45.060 6.441 ( 3.595 45.084 4.646) 45.465 7.297 ( 26.618 -21.452 1.097) 34.204 8.021 ( 1.263 -25.463 -10.148) 27.440 9.312 ( -3.884 35.465 30.436) 46.895 10.326 ( -4.347 -8.036 8.985) 12.814 11.780 ( 14.354 -0.159 -1.361) 14.420 12.019 ( 7.768 -1.212 0.021) 7.862 12.408 ( 4.720 12.918 11.233) 17.758 13.371 ( 0.658 -24.451 -2.896) 24.631 14.868 ( -4.300 19.786 1.160) 20.281 15.449 ( 0.158 -0.586 -0.035) 0.608 15.789 ( -0.943 -2.124 0.405) 2.359 16.194 ( 14.175 -14.300 0.119) 20.136 18.570 ( -8.149 -8.924 12.349) 17.279 19.996 ( -2.776 5.020 -4.221) 7.122 20.487 ( -2.353 -6.371 0.516) 6.811 23.005 ( -11.594 -1.574 -4.088) 12.394 36.988 ( 5.603 3.668 1.081) 6.784 37.410 ( 5.670 -3.399 -0.739) 6.651 43.133 ( -3.927 1.864 -9.929) 10.839 43.497 ( -4.115 -2.459 -8.537) 9.791 59.895 ( -17.447 74.794 -11.309) 77.630 63.155 ( -34.310 -72.368 -29.824) 85.462 ======================= Grid point 344 (123/420) ======================= q-point: ( 0.11 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.299 ( 18.889 35.081 7.552) 40.553 6.671 ( 24.667 39.495 2.719) 46.645 7.963 ( 31.609 -13.630 -3.261) 34.576 8.083 ( 13.022 -22.800 -2.827) 26.408 9.271 ( 1.473 21.178 26.135) 33.670 10.248 ( -2.767 -10.185 11.326) 15.481 12.015 ( 3.287 7.112 2.062) 8.102 12.182 ( 12.092 -2.990 2.401) 12.686 12.656 ( 20.824 8.657 1.925) 22.634 13.409 ( 3.746 -20.803 -1.037) 21.163 14.777 ( -4.601 18.388 0.559) 18.963 15.453 ( 0.465 -7.092 -1.823) 7.338 15.790 ( 1.023 3.269 3.280) 4.743 16.535 ( 19.658 -10.964 -1.690) 22.572 18.338 ( -15.184 -12.594 12.977) 23.613 19.922 ( -4.647 5.697 -3.743) 8.250 20.424 ( -3.981 -3.867 -0.486) 5.571 22.689 ( -20.087 -1.110 -4.297) 20.572 37.146 ( 10.418 3.687 1.553) 11.160 37.568 ( 10.127 -3.795 -0.213) 10.817 43.022 ( -7.332 2.406 -8.924) 11.798 43.381 ( -7.572 -2.334 -7.868) 11.166 59.412 ( -30.965 68.011 -9.696) 75.355 62.236 ( -57.255 -55.576 -24.987) 83.613 ======================= Grid point 345 (124/420) ======================= q-point: ( 0.17 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.558 ( 11.708 34.698 5.549) 37.038 7.266 ( 29.209 28.749 0.990) 40.996 8.109 ( 4.157 -5.712 2.324) 7.437 8.848 ( 40.223 -14.944 2.469) 42.980 9.441 ( 17.536 4.970 16.276) 24.436 10.255 ( 5.045 -17.103 13.234) 22.206 11.973 ( -4.403 11.917 6.355) 14.205 12.416 ( 9.387 -3.921 -2.654) 10.514 13.145 ( 26.968 3.832 -2.699) 27.372 13.534 ( 9.341 -14.041 1.132) 16.902 14.689 ( -4.812 14.896 0.790) 15.674 15.477 ( 2.244 -10.098 -1.480) 10.450 15.838 ( 4.437 8.584 4.702) 10.746 16.917 ( 17.686 -9.318 -7.133) 21.225 18.011 ( -16.472 -15.478 15.496) 27.405 19.822 ( -5.441 6.010 -2.811) 8.581 20.337 ( -4.848 -0.949 -1.945) 5.309 22.250 ( -24.027 -1.197 -4.172) 24.415 37.386 ( 13.827 3.700 2.192) 14.481 37.794 ( 12.694 -4.168 0.580) 13.374 42.853 ( -9.628 3.222 -7.369) 12.545 43.207 ( -10.055 -2.521 -6.854) 12.427 58.725 ( -38.176 58.852 -7.540) 70.553 61.014 ( -65.372 -36.568 -19.208) 77.328 ======================= Grid point 346 (125/420) ======================= q-point: ( 0.22 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.806 ( 13.801 30.454 4.583) 33.748 7.702 ( 15.311 15.367 -2.253) 21.809 8.206 ( 5.723 7.207 13.794) 16.582 9.451 ( 22.728 -15.259 6.126) 28.052 9.835 ( 13.491 -4.101 11.997) 18.514 10.597 ( 33.787 -23.539 6.227) 41.647 11.900 ( -2.173 14.708 5.802) 15.960 12.541 ( 3.904 -4.747 -4.709) 7.743 13.608 ( 17.083 -3.730 -3.240) 17.783 13.807 ( 20.440 -2.712 -0.250) 20.621 14.559 ( -9.144 7.850 2.998) 12.419 15.555 ( 5.780 -7.112 1.004) 9.220 15.985 ( 10.829 11.422 3.448) 16.113 17.102 ( -1.883 -13.792 -14.380) 20.013 17.838 ( 2.911 -10.662 18.341) 21.414 19.713 ( -5.540 5.756 -1.473) 8.123 20.237 ( -5.375 1.223 -3.651) 6.611 21.775 ( -24.038 -1.925 -3.176) 24.324 37.675 ( 15.476 3.658 2.855) 16.156 38.051 ( 13.292 -4.319 1.552) 14.062 42.655 ( -10.394 3.932 -5.512) 12.405 42.995 ( -11.484 -2.962 -5.555) 13.096 57.963 ( -38.739 49.220 -5.360) 62.865 59.752 ( -62.251 -20.367 -13.945) 66.966 ======================= Grid point 347 (126/420) ======================= q-point: ( 0.28 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.093 ( 15.236 24.873 4.429) 29.503 7.909 ( 7.272 5.498 0.552) 9.133 8.325 ( 6.146 9.848 15.714) 19.537 9.735 ( 1.558 5.492 16.127) 17.108 9.990 ( 10.551 -36.374 4.891) 38.188 11.385 ( 39.340 -16.132 -2.104) 42.571 11.913 ( 4.269 12.444 5.576) 14.288 12.584 ( 0.518 -5.210 -6.282) 8.178 13.857 ( 10.356 -1.761 0.803) 10.535 14.199 ( 7.578 4.296 -4.210) 9.675 14.394 ( 2.983 -5.228 3.900) 7.172 15.651 ( 1.356 -3.524 2.988) 4.816 16.266 ( 18.197 11.148 1.626) 21.402 16.988 ( -3.089 -15.783 -11.815) 19.956 18.052 ( 14.486 -3.677 10.928) 18.515 19.608 ( -5.152 5.780 -0.061) 7.743 20.127 ( -5.856 1.705 -5.161) 7.990 21.322 ( -22.126 -2.702 -1.014) 22.313 37.979 ( 15.279 3.490 3.418) 16.040 38.303 ( 12.191 -4.174 2.630) 13.151 42.457 ( -9.603 4.138 -3.651) 11.076 42.766 ( -11.769 -3.294 -4.055) 12.876 57.246 ( -33.779 40.390 -3.545) 52.773 58.617 ( -53.261 -8.139 -9.738) 54.753 ======================= Grid point 348 (127/420) ======================= q-point: ( 0.33 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.392 ( 15.054 18.234 5.192) 24.208 8.028 ( 5.630 0.791 6.259) 8.456 8.433 ( 4.512 6.329 12.452) 14.678 9.552 ( -16.181 -5.158 20.307) 26.472 10.288 ( 17.426 -24.845 0.849) 30.359 11.846 ( 7.175 3.807 -1.953) 8.354 12.182 ( 20.611 -12.272 2.779) 24.148 12.551 ( -3.855 -5.935 -8.131) 10.779 13.893 ( -8.441 4.302 4.095) 10.321 14.249 ( 13.021 -2.377 1.641) 13.337 14.693 ( 14.589 -8.454 -5.804) 17.832 15.564 ( -8.089 -2.902 3.204) 9.172 16.691 ( 24.096 6.832 -0.350) 25.048 17.102 ( 14.339 -7.236 -11.402) 19.697 18.316 ( 11.725 -0.142 7.660) 14.006 19.516 ( -4.175 7.401 0.707) 8.527 20.009 ( -6.071 0.193 -5.668) 8.308 20.908 ( -20.395 -3.203 2.050) 20.746 38.262 ( 13.386 3.144 3.772) 14.258 38.520 ( 9.791 -3.761 3.766) 11.144 42.288 ( -7.544 3.703 -2.040) 8.648 42.543 ( -10.831 -3.197 -2.524) 11.571 56.666 ( -25.023 32.952 -2.295) 41.440 57.682 ( -42.264 0.804 -6.564) 42.778 ======================= Grid point 349 (128/420) ======================= q-point: ( 0.39 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.674 ( 13.798 9.938 7.145) 18.445 8.147 ( 6.609 -1.925 9.056) 11.375 8.491 ( 1.287 3.480 10.575) 11.207 9.181 ( -20.410 -10.018 19.750) 30.117 10.647 ( 19.150 -14.716 0.906) 24.168 11.907 ( -0.008 6.855 -0.590) 6.880 12.323 ( -7.251 -9.481 -2.117) 12.122 12.531 ( 2.634 -19.747 -2.640) 20.096 13.774 ( -1.069 0.414 -1.450) 1.849 14.526 ( 7.750 1.358 0.887) 7.918 14.878 ( 8.485 -13.008 -4.568) 16.189 15.468 ( -0.192 -0.164 2.319) 2.332 17.144 ( 21.135 -0.133 -3.069) 21.358 17.481 ( 21.783 1.244 -14.336) 26.107 18.507 ( 8.477 3.682 9.213) 13.049 19.445 ( -3.206 11.581 0.083) 12.017 19.895 ( -5.371 -2.943 -4.326) 7.498 20.519 ( -19.304 -4.162 5.305) 20.448 38.494 ( 10.102 2.642 3.794) 11.110 38.680 ( 6.536 -3.194 4.952) 8.800 42.168 ( -4.621 2.744 -0.855) 5.442 42.349 ( -8.746 -2.569 -1.177) 9.191 56.280 ( -14.217 26.959 -1.689) 30.524 56.965 ( -31.029 7.438 -4.208) 32.184 ======================= Grid point 350 (129/420) ======================= q-point: ( 0.44 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.936 ( 13.209 1.038 9.400) 16.245 8.268 ( 4.103 -3.351 8.388) 9.921 8.484 ( -1.092 1.589 12.163) 12.315 8.802 ( -17.079 -9.485 18.188) 26.692 11.032 ( 20.050 -6.403 0.634) 21.057 11.782 ( -13.850 7.375 -0.432) 15.697 12.211 ( -0.594 -13.372 -3.150) 13.751 12.504 ( -4.645 -23.962 2.392) 24.525 13.849 ( 7.262 0.416 -8.641) 11.295 14.443 ( -10.540 -7.372 -1.752) 12.981 15.152 ( 15.448 -4.133 -0.009) 15.991 15.489 ( 0.079 -0.940 1.412) 1.699 17.510 ( 16.148 -2.682 -7.216) 17.890 17.810 ( 8.424 -1.115 -16.388) 18.460 18.711 ( 13.886 12.143 9.669) 20.827 19.363 ( -6.447 16.957 0.606) 18.152 19.816 ( -2.145 -6.741 -1.348) 7.201 20.170 ( -15.313 -6.682 7.429) 18.285 38.650 ( 5.682 2.166 3.320) 6.928 38.773 ( 2.978 -2.691 6.222) 7.404 42.110 ( -1.260 1.496 -0.232) 1.970 42.206 ( -5.750 -1.526 -0.171) 5.952 56.114 ( -2.843 22.148 -1.816) 22.403 56.468 ( -19.788 12.528 -2.392) 23.542 ======================= Grid point 351 (130/420) ======================= q-point: (-0.50 0.42 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.162 ( 0.000 -4.209 6.038) 7.361 8.214 ( 0.000 -3.604 13.117) 13.604 8.537 ( 0.000 -1.093 15.984) 16.021 8.567 ( -0.000 -5.451 13.607) 14.659 11.383 ( -0.000 2.148 -2.087) 2.995 11.477 ( 0.000 0.275 2.640) 2.654 12.236 ( -0.000 -15.486 -4.870) 16.234 12.432 ( 0.000 -22.963 4.905) 23.481 13.960 ( 0.000 3.845 -14.160) 14.673 14.296 ( 0.000 -12.401 1.717) 12.520 15.352 ( -0.000 0.890 -1.562) 1.797 15.453 ( 0.000 -4.539 3.103) 5.498 17.725 ( 0.000 -0.543 -14.125) 14.136 17.827 ( -0.000 -6.601 -8.986) 11.150 18.946 ( -0.000 20.476 -1.605) 20.539 19.224 ( 0.000 15.747 10.169) 18.745 19.810 ( 0.000 -7.659 -0.315) 7.666 19.995 ( 0.000 -8.759 7.562) 11.572 38.707 ( 0.000 2.010 2.735) 3.394 38.801 ( 0.000 -2.532 7.088) 7.526 42.111 ( -0.000 0.587 -0.524) 0.787 42.136 ( 0.000 -0.680 0.680) 0.962 56.139 ( 0.000 19.321 -3.714) 19.674 56.221 ( 0.000 15.437 0.054) 15.437 ======================= Grid point 361 (131/420) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.113 ( 0.000 0.000 5.914) 5.914 6.606 ( 0.000 -0.000 3.629) 3.629 7.306 ( 0.000 0.001 -7.468) 7.468 7.308 ( 0.000 -0.001 6.625) 6.625 9.848 ( 0.000 0.000 27.521) 27.521 10.267 ( 0.000 0.000 6.749) 6.749 11.607 ( 0.000 0.000 -1.065) 1.065 11.910 ( 0.000 0.000 -2.298) 2.298 12.604 ( 0.000 -0.000 13.391) 13.391 12.992 ( 0.000 0.000 -1.701) 1.701 15.184 ( 0.000 0.000 -2.264) 2.264 15.484 ( 0.000 0.000 0.832) 0.832 15.773 ( 0.000 0.000 -0.491) 0.491 15.805 ( 0.000 0.000 2.600) 2.600 18.574 ( 0.000 0.000 13.726) 13.726 20.083 ( 0.000 0.000 -4.483) 4.483 20.420 ( 0.000 0.000 -0.798) 0.798 23.104 ( 0.000 0.000 -3.476) 3.476 36.973 ( 0.000 -0.000 0.758) 0.758 37.318 ( 0.000 0.000 -0.737) 0.737 43.189 ( 0.000 0.000 -8.065) 8.065 43.512 ( 0.000 0.000 -10.954) 10.954 61.345 ( 0.000 -0.000 -17.378) 17.378 62.205 ( 0.000 0.000 -25.454) 25.454 ======================= Grid point 363 (132/420) ======================= q-point: ( 0.06 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.307 ( 18.272 0.000 5.746) 19.154 6.863 ( 24.014 0.000 2.505) 24.145 7.348 ( 5.618 0.000 -6.577) 8.650 7.376 ( 7.653 -0.000 5.824) 9.617 9.730 ( -10.388 0.000 26.592) 28.549 10.221 ( -4.219 0.000 7.825) 8.890 11.781 ( 15.736 0.000 -0.635) 15.749 12.004 ( 7.894 0.000 -1.167) 7.980 12.639 ( 4.636 -0.000 11.618) 12.509 13.008 ( 1.906 0.000 -1.323) 2.320 15.149 ( -3.428 0.000 -3.159) 4.662 15.376 ( -6.688 -0.000 0.830) 6.740 15.795 ( 2.132 0.000 0.754) 2.261 16.019 ( 17.420 0.000 1.784) 17.511 18.477 ( -9.768 0.000 13.740) 16.858 20.058 ( -2.581 0.000 -4.366) 5.072 20.408 ( -1.181 0.000 -1.000) 1.547 22.990 ( -11.334 0.000 -3.650) 11.907 37.028 ( 5.620 -0.000 0.936) 5.697 37.372 ( 5.507 0.000 -0.534) 5.533 43.152 ( -3.754 0.000 -7.833) 8.686 43.472 ( -4.029 0.000 -10.639) 11.376 61.114 ( -23.072 -0.000 -16.476) 28.351 61.958 ( -24.618 0.000 -24.225) 34.538 ======================= Grid point 365 (133/420) ======================= q-point: ( 0.11 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.718 ( 20.419 0.000 5.421) 21.126 7.252 ( 9.508 0.000 -6.556) 11.550 7.658 ( 22.551 -0.000 3.761) 22.863 7.747 ( 38.665 -0.000 3.031) 38.784 9.524 ( -8.610 0.000 24.342) 25.820 10.129 ( -4.638 0.000 10.509) 11.487 12.121 ( 2.517 0.000 3.584) 4.380 12.122 ( 16.755 -0.000 -0.896) 16.779 12.845 ( 17.182 -0.000 5.248) 17.965 13.086 ( 6.730 0.000 -0.359) 6.740 15.056 ( -6.068 0.000 -4.193) 7.376 15.289 ( -1.736 -0.000 0.347) 1.770 15.850 ( 3.509 0.000 2.861) 4.528 16.408 ( 21.438 0.000 -0.494) 21.443 18.206 ( -17.281 0.000 14.184) 22.356 19.987 ( -4.545 0.000 -3.926) 6.005 20.375 ( -2.230 0.000 -1.624) 2.759 22.678 ( -19.935 0.000 -4.017) 20.336 37.187 ( 10.448 -0.000 1.427) 10.545 37.526 ( 9.903 0.000 0.030) 9.903 43.046 ( -6.958 0.000 -7.153) 9.979 43.357 ( -7.597 0.000 -9.722) 12.338 60.481 ( -40.241 -0.000 -14.091) 42.636 61.287 ( -42.503 0.000 -20.998) 47.407 ======================= Grid point 367 (134/420) ======================= q-point: ( 0.17 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.044 ( 13.562 0.000 4.529) 14.298 7.388 ( 6.433 -0.000 -8.032) 10.291 8.243 ( 34.749 0.000 1.883) 34.800 8.521 ( 29.873 -0.000 13.794) 32.904 9.534 ( 16.593 0.000 13.595) 21.451 10.047 ( -3.889 0.000 13.999) 14.529 12.115 ( -2.024 0.000 6.347) 6.662 12.373 ( 8.517 0.000 -1.525) 8.652 13.272 ( 24.913 -0.000 0.028) 24.913 13.284 ( 13.074 0.000 0.094) 13.074 14.906 ( -9.477 0.000 -3.013) 9.944 15.318 ( 4.754 -0.000 0.176) 4.758 15.942 ( 6.355 0.000 3.507) 7.258 16.810 ( 17.470 0.000 -6.555) 18.659 17.850 ( -16.674 0.000 17.041) 23.842 19.886 ( -5.614 0.000 -3.001) 6.365 20.321 ( -3.271 0.000 -2.728) 4.259 22.239 ( -24.246 0.000 -4.122) 24.594 37.428 ( 13.853 -0.000 2.125) 14.016 37.748 ( 12.529 0.000 0.855) 12.558 42.886 ( -9.152 0.000 -6.084) 10.990 43.180 ( -10.294 0.000 -8.291) 13.217 59.599 ( -48.452 -0.000 -10.962) 49.676 60.359 ( -50.698 0.000 -16.817) 53.415 ======================= Grid point 369 (135/420) ======================= q-point: ( 0.22 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.288 ( 12.118 0.000 3.463) 12.603 7.520 ( 6.997 -0.000 -6.856) 9.796 8.746 ( -0.193 0.000 25.511) 25.511 8.917 ( 32.393 -0.000 0.658) 32.400 9.960 ( -5.591 0.000 17.744) 18.604 10.257 ( 48.986 -0.000 -0.729) 48.991 12.076 ( -1.411 0.000 6.007) 6.170 12.476 ( 2.827 0.000 -1.611) 3.254 13.558 ( 14.117 0.000 -0.642) 14.131 13.774 ( 25.672 0.000 -3.249) 25.877 14.673 ( -14.480 0.000 0.620) 14.494 15.466 ( 9.534 0.000 1.132) 9.601 16.118 ( 11.951 0.000 2.225) 12.156 16.939 ( -6.207 0.000 -12.576) 14.024 17.733 ( 7.844 0.000 18.482) 20.078 19.773 ( -5.700 0.000 -1.484) 5.890 20.245 ( -4.628 0.000 -4.373) 6.367 21.757 ( -24.453 0.000 -3.317) 24.677 37.717 ( 15.460 -0.000 2.908) 15.731 38.003 ( 13.260 0.000 1.821) 13.384 42.696 ( -10.051 0.000 -4.740) 11.113 42.962 ( -11.797 -0.000 -6.498) 13.468 58.643 ( -47.986 -0.000 -7.832) 48.621 59.359 ( -50.402 0.000 -12.666) 51.969 ======================= Grid point 371 (136/420) ======================= q-point: ( 0.28 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.530 ( 12.624 0.000 2.796) 12.930 7.652 ( 6.264 -0.000 -3.690) 7.270 8.698 ( -3.015 0.000 24.732) 24.915 9.460 ( 20.377 0.000 0.933) 20.398 9.825 ( -5.819 0.000 20.144) 20.967 11.196 ( 43.558 -0.000 -4.315) 43.771 12.066 ( 0.139 0.000 4.335) 4.337 12.503 ( 0.019 0.000 -2.446) 2.446 13.832 ( 14.156 0.000 -0.719) 14.174 14.249 ( 22.049 0.000 -6.094) 22.876 14.353 ( -17.164 0.000 4.341) 17.705 15.612 ( 2.421 0.000 3.203) 4.015 16.407 ( 17.145 -0.000 0.333) 17.148 16.800 ( -0.641 0.000 -10.543) 10.563 18.014 ( 16.742 0.000 10.975) 20.019 19.670 ( -4.667 0.000 0.610) 4.706 20.138 ( -6.324 0.000 -6.484) 9.058 21.297 ( -22.392 0.000 -1.106) 22.419 38.020 ( 15.180 -0.000 3.675) 15.618 38.256 ( 12.307 0.000 2.822) 12.627 42.502 ( -9.588 0.000 -3.288) 10.136 42.728 ( -11.915 -0.000 -4.563) 12.759 57.764 ( -41.076 -0.000 -5.196) 41.403 58.423 ( -44.699 0.000 -9.105) 45.617 ======================= Grid point 373 (137/420) ======================= q-point: ( 0.33 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.759 ( 4.704 0.000 1.572) 4.960 7.779 ( 12.664 -0.000 2.470) 12.903 8.650 ( -1.851 0.000 20.777) 20.859 9.419 ( -16.883 0.000 18.515) 25.057 10.046 ( 21.793 0.000 4.810) 22.317 11.869 ( 23.729 -0.000 -4.559) 24.163 12.072 ( 0.310 0.000 2.347) 2.368 12.472 ( -3.572 -0.000 -5.200) 6.309 13.938 ( -10.850 0.000 4.927) 11.916 14.254 ( 16.674 0.000 1.413) 16.734 14.585 ( 10.400 -0.000 -8.178) 13.230 15.536 ( -6.919 0.000 3.397) 7.708 16.767 ( 19.210 -0.000 -1.534) 19.271 17.023 ( 21.214 0.000 -11.177) 23.978 18.315 ( 13.495 0.000 8.111) 15.745 19.600 ( -2.260 0.000 2.887) 3.666 19.999 ( -7.801 0.000 -8.601) 11.611 20.879 ( -20.644 0.000 2.396) 20.783 38.300 ( 13.189 -0.000 4.357) 13.890 38.476 ( 10.022 0.000 3.765) 10.706 42.329 ( -7.899 0.000 -1.922) 8.129 42.505 ( -10.652 -0.000 -2.744) 11.000 57.061 ( -30.378 -0.000 -3.282) 30.554 57.628 ( -36.348 0.000 -6.300) 36.890 ======================= Grid point 375 (138/420) ======================= q-point: ( 0.39 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.847 ( 4.760 0.000 7.324) 8.735 8.015 ( 11.166 -0.000 2.194) 11.379 8.620 ( -1.556 0.000 16.294) 16.368 9.033 ( -20.979 0.000 21.919) 30.341 10.491 ( 23.357 0.000 2.936) 23.541 12.078 ( 0.453 -0.000 0.741) 0.868 12.101 ( -0.053 0.000 -1.367) 1.368 12.351 ( -8.073 -0.000 -6.317) 10.251 13.775 ( -2.393 0.000 2.230) 3.271 14.600 ( -8.165 0.000 -7.788) 11.284 14.686 ( 23.823 -0.000 1.396) 23.864 15.471 ( 0.602 0.000 1.571) 1.682 17.141 ( 18.589 0.000 -3.710) 18.956 17.491 ( 22.997 0.000 -15.027) 27.472 18.551 ( 11.875 0.000 9.656) 15.306 19.590 ( 1.381 0.000 4.379) 4.591 19.835 ( -9.023 0.000 -10.041) 13.500 20.479 ( -20.419 0.000 6.640) 21.471 38.527 ( 9.883 -0.000 4.901) 11.031 38.642 ( 6.773 0.000 4.553) 8.162 42.199 ( -5.259 0.000 -0.822) 5.323 42.319 ( -8.241 -0.000 -1.279) 8.340 56.586 ( -18.107 -0.000 -2.132) 18.232 57.008 ( -26.888 0.000 -4.214) 27.216 ======================= Grid point 377 (139/420) ======================= q-point: ( 0.44 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.965 ( 7.716 0.000 10.966) 13.409 8.191 ( 5.436 -0.000 1.873) 5.750 8.579 ( -2.786 0.000 13.723) 14.003 8.656 ( -15.633 -0.000 23.251) 28.018 10.957 ( 24.309 0.000 2.131) 24.402 11.877 ( -19.773 0.000 -1.035) 19.801 12.098 ( 1.748 -0.000 -0.228) 1.763 12.230 ( -4.589 0.000 -1.765) 4.917 13.849 ( 8.763 0.000 -2.845) 9.213 14.358 ( -14.549 0.000 -6.464) 15.921 15.113 ( 18.636 0.000 0.971) 18.662 15.485 ( -1.033 0.000 0.213) 1.055 17.481 ( 15.837 0.000 -6.739) 17.211 17.790 ( 5.652 0.000 -16.597) 17.533 18.854 ( 20.103 -0.000 9.096) 22.065 19.630 ( -12.955 0.000 -9.319) 15.959 19.655 ( 5.228 -0.000 5.063) 7.278 20.089 ( -18.535 0.000 10.266) 21.188 38.681 ( 5.780 -0.000 5.248) 7.807 38.737 ( 2.881 0.000 5.096) 5.854 42.127 ( -2.000 0.000 -0.133) 2.005 42.188 ( -5.071 -0.000 -0.328) 5.082 56.353 ( -5.746 0.000 -1.705) 5.993 56.580 ( -16.783 0.000 -2.773) 17.010 ======================= Grid point 379 (140/420) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.144 ( -8.338 -0.871 8.907) 12.232 8.144 ( 8.338 0.871 8.907) 12.232 8.524 ( -1.350 -0.001 16.352) 16.408 8.524 ( 1.350 0.001 16.352) 16.408 11.435 ( -23.395 -0.812 0.835) 23.424 11.435 ( 23.395 0.812 0.835) 23.424 12.150 ( -1.060 -5.339 -0.713) 5.490 12.150 ( 1.061 5.339 -0.713) 5.490 14.076 ( -8.512 -6.669 -5.325) 12.053 14.076 ( 8.512 6.669 -5.325) 12.053 15.388 ( -8.346 -1.089 0.320) 8.423 15.388 ( 8.346 1.089 0.320) 8.423 17.736 ( -8.311 -1.062 -11.298) 14.066 17.736 ( 8.311 1.062 -11.298) 14.066 19.288 ( -15.361 -7.734 -0.539) 17.207 19.288 ( 15.361 7.734 -0.539) 17.207 19.802 ( -5.545 -7.103 7.699) 11.852 19.802 ( 5.545 7.103 7.699) 11.852 38.752 ( -0.392 -2.284 5.329) 5.811 38.752 ( 0.392 2.284 5.329) 5.811 42.123 ( -1.186 -0.414 0.050) 1.257 42.123 ( 1.186 0.414 0.050) 1.257 56.356 ( -4.860 -1.210 -1.934) 5.369 56.356 ( 4.860 1.210 -1.934) 5.369 ======================= Grid point 494 (141/420) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.288 ( 0.000 0.000 57.529) 57.529 2.737 ( 0.000 0.000 68.502) 68.502 4.019 ( 0.000 0.000 98.429) 98.429 7.931 ( 0.000 0.000 -19.385) 19.385 8.645 ( 0.000 0.000 -9.353) 9.353 10.555 ( 0.000 0.000 0.204) 0.204 11.994 ( 0.000 0.000 4.371) 4.371 12.045 ( 0.000 0.000 3.306) 3.306 12.952 ( 0.000 0.000 18.696) 18.696 13.255 ( 0.000 0.000 -2.688) 2.688 15.161 ( 0.000 0.000 3.564) 3.564 16.087 ( 0.000 0.000 -4.871) 4.871 16.149 ( 0.000 0.000 0.862) 0.862 16.310 ( 0.000 0.000 -16.747) 16.747 18.720 ( 0.000 0.000 4.564) 4.564 19.810 ( 0.000 0.000 -13.240) 13.240 21.751 ( 0.000 0.000 4.022) 4.022 22.411 ( 0.000 0.000 -8.913) 8.913 36.656 ( 0.000 0.000 3.789) 3.789 37.553 ( 0.000 0.000 -4.709) 4.709 41.199 ( 0.000 0.000 12.770) 12.770 44.172 ( 0.000 0.000 -13.489) 13.489 58.598 ( 0.000 0.000 4.602) 4.602 60.900 ( 0.000 0.000 -18.787) 18.787 ======================= Grid point 495 (142/420) ======================= q-point: ( 0.06 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.780 ( 40.994 0.000 50.091) 64.728 2.961 ( 22.168 0.000 62.205) 66.037 4.358 ( 36.291 0.000 87.640) 94.857 8.205 ( 26.847 0.000 -20.106) 33.541 8.535 ( -8.130 0.000 -3.583) 8.884 10.541 ( -0.561 0.000 1.704) 1.794 12.074 ( 6.836 0.000 5.144) 8.556 12.193 ( 13.018 0.000 2.081) 13.183 13.020 ( 7.607 0.000 17.142) 18.754 13.203 ( -5.788 0.000 0.466) 5.807 14.577 ( -32.738 0.000 20.561) 38.659 15.965 ( -9.058 0.000 -12.976) 15.825 16.440 ( 9.788 0.000 -8.612) 13.038 16.646 ( 27.933 0.000 -14.236) 31.352 18.775 ( 4.228 0.000 4.637) 6.275 19.766 ( -4.442 0.000 -12.400) 13.171 21.705 ( -4.659 0.000 3.621) 5.901 22.352 ( -5.341 0.000 -7.717) 9.385 36.711 ( 5.497 0.000 3.647) 6.596 37.781 ( 20.105 0.000 -14.013) 24.506 41.212 ( 1.303 0.000 12.648) 12.714 44.053 ( -11.096 0.000 -9.391) 14.537 58.456 ( -14.305 0.000 4.059) 14.870 59.727 ( -98.886 0.000 26.793) 102.452 ======================= Grid point 496 (143/420) ======================= q-point: ( 0.11 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 38.194 0.000 49.329) 62.387 3.602 ( 41.246 0.000 47.096) 62.604 5.429 ( 69.404 0.000 60.781) 92.257 8.453 ( 1.853 0.000 1.796) 2.580 8.881 ( 38.153 0.000 -22.421) 44.253 10.598 ( 9.084 0.000 5.404) 10.570 12.193 ( 4.146 0.000 7.708) 8.752 12.418 ( 5.593 0.000 5.564) 7.890 13.064 ( -4.658 0.000 2.812) 5.441 13.279 ( 19.065 0.000 12.778) 22.951 14.253 ( -0.415 0.000 16.908) 16.913 15.779 ( -9.647 0.000 -18.729) 21.068 16.639 ( 9.974 0.000 -2.751) 10.347 17.022 ( 11.542 0.000 -16.187) 19.880 18.825 ( -0.042 0.000 8.159) 8.159 19.638 ( -8.558 0.000 -9.818) 13.024 21.573 ( -8.811 0.000 2.467) 9.150 22.229 ( -6.944 0.000 -7.172) 9.983 36.867 ( 10.287 0.000 3.206) 10.775 38.202 ( 20.619 0.000 -22.837) 30.769 41.249 ( 2.546 0.000 12.295) 12.556 43.793 ( -14.400 0.000 -4.376) 15.050 57.792 ( -89.640 0.000 56.070) 105.731 58.051 ( -26.717 0.000 2.607) 26.844 ======================= Grid point 497 (144/420) ======================= q-point: ( 0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.409 ( 47.324 0.000 37.472) 60.363 4.412 ( 42.053 0.000 40.428) 58.334 6.878 ( 74.010 0.000 39.775) 84.021 8.654 ( 19.849 0.000 4.736) 20.407 9.485 ( 19.405 0.000 -20.229) 28.031 11.038 ( 37.776 0.000 3.730) 37.960 12.232 ( 0.769 0.000 9.623) 9.654 12.344 ( -10.136 0.000 12.664) 16.221 13.109 ( 6.889 0.000 -6.998) 9.820 13.739 ( 26.604 0.000 8.380) 27.892 14.470 ( 20.124 0.000 12.015) 23.438 15.596 ( -8.745 0.000 -20.557) 22.339 16.814 ( 7.590 0.000 -0.262) 7.595 17.147 ( 1.946 0.000 -14.178) 14.311 18.773 ( -4.713 0.000 13.257) 14.070 19.436 ( -11.972 0.000 -5.361) 13.118 21.367 ( -12.028 0.000 0.730) 12.051 22.082 ( -8.271 0.000 -7.539) 11.191 37.105 ( 13.833 0.000 2.435) 14.046 38.547 ( 14.568 0.000 -22.526) 26.827 41.311 ( 3.691 0.000 11.747) 12.313 43.514 ( -13.852 0.000 -3.320) 14.244 56.305 ( -63.656 0.000 48.038) 79.748 57.434 ( -35.753 0.000 0.700) 35.760 ======================= Grid point 498 (145/420) ======================= q-point: ( 0.22 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.246 ( 42.918 0.000 32.343) 53.740 5.379 ( 51.057 0.000 28.711) 58.576 8.125 ( 49.158 0.000 17.443) 52.161 9.321 ( 50.572 0.000 16.134) 53.083 9.672 ( 2.868 0.000 -11.083) 11.448 11.826 ( 24.905 0.000 -3.691) 25.177 12.128 ( -10.793 0.000 10.025) 14.731 12.386 ( 28.200 0.000 6.547) 28.950 13.249 ( 6.808 0.000 -11.370) 13.253 14.258 ( 24.684 0.000 2.844) 24.847 14.959 ( 28.281 0.000 10.388) 30.128 15.467 ( -3.053 0.000 -15.470) 15.769 16.922 ( 3.132 0.000 -1.041) 3.301 17.111 ( -5.494 0.000 -11.346) 12.606 18.675 ( -4.380 0.000 15.522) 16.128 19.177 ( -14.330 0.000 0.963) 14.363 21.110 ( -14.028 0.000 -1.261) 14.084 21.896 ( -10.978 0.000 -7.391) 13.234 37.398 ( 15.859 0.000 1.320) 15.914 38.777 ( 9.153 0.000 -18.823) 20.930 41.393 ( 4.736 0.000 11.032) 12.005 43.252 ( -13.051 0.000 -3.984) 13.645 55.241 ( -46.331 0.000 34.047) 57.495 56.680 ( -40.591 0.000 -1.122) 40.606 ======================= Grid point 499 (146/420) ======================= q-point: ( 0.28 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.078 ( 41.843 0.000 26.279) 49.411 6.380 ( 50.715 0.000 22.568) 55.510 8.851 ( 29.363 0.000 3.119) 29.528 9.673 ( -1.928 0.000 -4.000) 4.441 10.495 ( 62.091 0.000 22.029) 65.883 11.906 ( -4.988 0.000 0.540) 5.017 11.956 ( -5.171 0.000 6.465) 8.279 13.277 ( 46.734 0.000 -12.039) 48.259 13.373 ( 5.920 0.000 -13.959) 15.163 14.633 ( 13.639 0.000 -7.785) 15.704 15.526 ( 28.722 0.000 9.528) 30.261 15.564 ( 14.703 0.000 2.845) 14.975 16.934 ( -1.634 0.000 -4.907) 5.172 16.940 ( -11.494 0.000 -6.783) 13.346 18.629 ( 0.127 0.000 13.756) 13.757 18.883 ( -15.554 0.000 8.550) 17.749 20.827 ( -14.717 0.000 -3.036) 15.027 21.643 ( -15.024 0.000 -6.474) 16.359 37.715 ( 16.366 0.000 -0.106) 16.366 38.913 ( 4.924 0.000 -15.089) 15.872 41.495 ( 5.717 0.000 10.145) 11.645 43.001 ( -12.619 0.000 -4.265) 13.320 54.461 ( -33.914 0.000 22.956) 40.953 55.874 ( -41.092 0.000 -2.408) 41.163 ======================= Grid point 500 (147/420) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.870 ( 38.908 0.000 22.789) 45.091 7.339 ( 46.723 0.000 18.424) 50.225 9.357 ( 22.707 0.000 -0.272) 22.709 9.614 ( -3.831 0.000 1.670) 4.179 11.359 ( 14.678 0.000 4.669) 15.403 11.768 ( -8.434 0.000 -2.016) 8.671 12.175 ( 37.235 0.000 16.471) 40.715 13.487 ( 6.201 0.000 -15.902) 17.068 13.870 ( 10.679 0.000 -29.277) 31.164 14.944 ( 20.557 0.000 -5.590) 21.304 15.997 ( 26.458 0.000 17.556) 31.752 16.050 ( 23.837 0.000 8.202) 25.208 16.702 ( -11.160 0.000 -1.350) 11.241 16.893 ( -0.453 0.000 -10.915) 10.924 18.576 ( -15.533 0.000 15.969) 22.278 18.679 ( 4.634 0.000 10.264) 11.262 20.543 ( -14.152 0.000 -4.135) 14.744 21.303 ( -19.803 0.000 -5.037) 20.434 38.029 ( 15.562 0.000 -1.754) 15.660 38.974 ( 1.304 0.000 -12.172) 12.242 41.617 ( 6.687 0.000 9.029) 11.235 42.758 ( -12.261 0.000 -3.450) 12.737 53.907 ( -22.749 0.000 15.008) 27.254 55.098 ( -37.656 0.000 -2.873) 37.765 ======================= Grid point 501 (148/420) ======================= q-point: ( 0.39 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.587 ( 34.045 0.000 21.616) 40.328 8.172 ( 37.039 0.000 16.676) 40.620 9.535 ( -3.592 0.000 5.415) 6.498 9.727 ( 14.532 0.000 -0.730) 14.550 11.373 ( -4.479 0.000 -6.734) 8.087 11.592 ( -9.173 0.000 -6.011) 10.967 13.009 ( 34.434 0.000 10.469) 35.990 13.681 ( 18.088 0.000 -9.547) 20.453 13.846 ( -8.180 0.000 -32.483) 33.497 15.268 ( 8.071 0.000 0.313) 8.077 16.346 ( 2.330 0.000 0.379) 2.361 16.397 ( 9.726 0.000 8.768) 13.095 16.650 ( 10.762 0.000 8.830) 13.920 17.071 ( 20.460 0.000 -6.823) 21.568 18.307 ( -9.926 0.000 21.548) 23.724 18.791 ( 6.158 0.000 7.632) 9.807 20.282 ( -12.152 0.000 -4.392) 12.922 20.873 ( -23.882 0.000 -3.479) 24.134 38.318 ( 13.770 0.000 -3.490) 14.206 38.966 ( -2.083 0.000 -10.016) 10.230 41.757 ( 7.692 0.000 7.581) 10.800 42.523 ( -11.697 0.000 -1.609) 11.807 53.572 ( -11.469 0.000 9.198) 14.702 54.422 ( -31.001 0.000 -2.392) 31.093 ======================= Grid point 502 (149/420) ======================= q-point: ( 0.44 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.187 ( 26.794 0.000 21.958) 34.642 8.682 ( 11.291 0.000 19.845) 22.833 9.544 ( 7.181 0.000 3.671) 8.065 9.892 ( 1.432 0.000 0.026) 1.433 11.298 ( -2.149 0.000 -10.956) 11.164 11.424 ( -7.659 0.000 -9.742) 12.392 13.356 ( 7.537 0.000 -15.057) 16.838 13.655 ( -9.980 0.000 -29.410) 31.058 14.258 ( 34.252 0.000 9.256) 35.481 15.221 ( -11.801 0.000 6.374) 13.413 16.346 ( 1.614 0.000 -2.314) 2.821 16.463 ( -0.302 0.000 -4.046) 4.057 16.940 ( 15.138 0.000 11.623) 19.086 17.365 ( 1.366 0.000 5.633) 5.796 18.352 ( 17.130 0.000 18.194) 24.989 18.879 ( 1.127 0.000 7.224) 7.312 20.088 ( -6.810 0.000 -4.046) 7.921 20.401 ( -22.786 0.000 -2.551) 22.928 38.564 ( 11.318 0.000 -5.186) 12.450 38.893 ( -5.348 0.000 -8.320) 9.890 41.918 ( 8.751 0.000 5.706) 10.447 42.302 ( -10.857 0.000 0.838) 10.890 53.460 ( 0.050 0.000 4.794) 4.795 53.901 ( -21.973 0.000 -0.945) 21.993 ======================= Grid point 503 (150/420) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.608 ( -14.264 0.000 22.332) 26.499 8.608 ( 14.264 0.000 22.332) 26.499 9.777 ( -8.147 0.000 1.080) 8.218 9.777 ( 8.147 0.000 1.080) 8.218 11.310 ( -1.478 0.000 -11.789) 11.881 11.310 ( 1.478 0.000 -11.789) 11.881 13.485 ( -1.287 0.000 -24.087) 24.122 13.485 ( 1.287 0.000 -24.087) 24.122 14.852 ( -23.457 0.000 9.862) 25.445 14.852 ( 23.457 0.000 9.862) 25.445 16.414 ( -0.777 0.000 -4.620) 4.685 16.414 ( 0.777 0.000 -4.620) 4.685 17.212 ( -3.062 0.000 11.925) 12.312 17.212 ( 3.062 0.000 11.925) 12.312 18.748 ( -16.016 0.000 10.424) 19.110 18.748 ( 16.016 0.000 10.424) 19.110 20.079 ( -7.818 0.000 -3.225) 8.457 20.079 ( 7.818 0.000 -3.225) 8.457 38.758 ( -4.597 0.000 -6.777) 8.189 38.758 ( 4.597 0.000 -6.777) 8.189 42.100 ( -9.071 0.000 3.401) 9.688 42.100 ( 9.071 0.000 3.401) 9.688 53.573 ( -8.647 0.000 1.450) 8.768 53.573 ( 8.647 0.000 1.450) 8.768 ======================= Grid point 513 (151/420) ======================= q-point: ( 0.00 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.579 ( 0.000 27.289 50.305) 57.230 2.885 ( 0.000 19.106 60.686) 63.623 4.676 ( 0.000 55.632 86.203) 102.596 7.907 ( 0.000 -2.431 -18.177) 18.339 8.459 ( 0.000 -6.550 -1.945) 6.832 10.965 ( 0.000 28.362 -3.706) 28.603 11.928 ( 0.000 -4.905 3.316) 5.920 12.070 ( 0.000 0.940 3.511) 3.634 12.558 ( 0.000 -27.008 15.081) 30.933 13.315 ( 0.000 0.255 -1.811) 1.829 15.181 ( 0.000 1.984 3.469) 3.997 15.633 ( 0.000 -21.028 0.205) 21.029 16.069 ( 0.000 -1.764 -4.663) 4.986 16.971 ( 0.000 26.504 -19.385) 32.837 18.624 ( 0.000 -6.469 3.112) 7.178 19.984 ( 0.000 14.064 -7.430) 15.906 21.396 ( 0.000 -22.077 16.736) 27.704 22.754 ( 0.000 19.127 -22.697) 29.681 36.673 ( 0.000 1.680 3.686) 4.051 37.541 ( 0.000 -1.139 -4.543) 4.684 41.611 ( 0.000 32.022 -7.864) 32.973 44.077 ( 0.000 -8.646 -10.749) 13.795 57.506 ( 0.000 -46.797 37.543) 59.995 62.905 ( 0.000 117.440 -93.842) 150.328 ======================= Grid point 514 (152/420) ======================= q-point: ( 0.06 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.023 ( 33.530 24.139 46.082) 61.891 3.132 ( 29.085 18.515 53.181) 63.379 4.926 ( 27.088 49.661 79.688) 97.725 8.179 ( 26.067 -3.367 -17.838) 31.765 8.436 ( -0.678 -1.665 -1.918) 2.629 10.876 ( -6.671 24.133 -0.800) 25.051 11.989 ( 4.092 -7.435 4.569) 9.639 12.220 ( 13.209 1.308 1.823) 13.399 12.660 ( 11.143 -21.730 13.530) 27.918 13.292 ( -2.362 0.648 -0.751) 2.562 14.740 ( -26.449 12.089 14.652) 32.564 15.771 ( 0.968 -15.721 -9.554) 18.422 16.201 ( 12.660 -7.929 -2.758) 15.190 17.073 ( 8.083 18.955 -19.661) 28.481 18.665 ( 3.535 -7.175 3.618) 8.779 19.938 ( -4.705 13.781 -7.556) 16.405 21.350 ( -4.560 -23.091 15.256) 28.049 22.653 ( -9.304 17.086 -18.691) 26.978 36.729 ( 5.595 1.776 3.581) 6.876 37.713 ( 15.754 -5.162 -9.044) 18.885 41.598 ( -1.212 30.434 -5.928) 31.030 43.975 ( -9.575 -7.165 -8.073) 14.429 57.315 ( -19.246 -42.742 38.399) 60.595 61.833 ( -93.103 121.134 -52.924) 161.686 ======================= Grid point 515 (153/420) ======================= q-point: ( 0.11 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.655 ( 36.626 15.379 43.606) 58.987 3.923 ( 41.447 24.603 42.377) 64.179 5.780 ( 58.823 32.845 59.150) 89.653 8.447 ( 6.199 1.849 1.241) 6.587 8.883 ( 39.282 -0.490 -21.645) 44.853 10.807 ( 2.235 16.794 4.071) 17.424 12.035 ( 0.437 -12.347 6.858) 14.130 12.469 ( 9.437 1.167 2.764) 9.902 12.957 ( 13.696 -6.218 4.837) 15.800 13.279 ( 6.809 -1.911 5.177) 8.765 14.423 ( -4.096 14.528 16.385) 22.278 15.704 ( -5.772 -6.830 -14.477) 17.016 16.447 ( 11.306 -12.881 -0.508) 17.147 17.201 ( 3.945 9.162 -18.047) 20.621 18.730 ( 2.402 -5.793 6.192) 8.813 19.799 ( -9.591 12.846 -6.811) 17.418 21.224 ( -8.168 -25.154 11.252) 28.741 22.438 ( -11.835 12.150 -12.795) 21.246 36.887 ( 10.368 1.948 3.254) 11.039 38.070 ( 18.927 -10.317 -14.533) 25.997 41.571 ( -1.262 26.238 -1.654) 26.321 43.743 ( -13.192 -4.707 -4.557) 14.730 56.776 ( -34.846 -29.169 39.187) 60.006 59.938 ( -90.478 105.502 -12.529) 139.548 ======================= Grid point 516 (154/420) ======================= q-point: ( 0.17 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.455 ( 44.101 10.589 34.905) 57.231 4.709 ( 40.135 22.879 38.380) 60.061 7.061 ( 66.659 17.280 37.465) 78.394 8.705 ( 22.184 6.109 4.311) 23.411 9.544 ( 23.233 3.624 -19.971) 30.851 11.088 ( 28.628 4.879 3.917) 29.304 12.030 ( 0.312 -12.093 8.163) 14.594 12.501 ( -5.826 5.173 6.332) 10.040 13.095 ( 5.886 1.226 -5.686) 8.275 13.685 ( 28.265 -5.428 8.470) 30.002 14.560 ( 16.392 8.578 13.013) 22.619 15.581 ( -6.321 -1.691 -16.385) 17.643 16.627 ( 6.601 -15.498 1.192) 16.888 17.225 ( -1.089 4.299 -15.211) 15.844 18.751 ( -0.154 -0.619 9.406) 9.428 19.567 ( -13.828 11.059 -3.517) 18.052 21.038 ( -10.694 -26.240 6.061) 28.977 22.204 ( -12.045 7.040 -9.320) 16.779 37.126 ( 13.869 2.071 2.634) 14.268 38.411 ( 15.437 -11.288 -15.463) 24.593 41.556 ( -0.165 20.786 2.418) 20.927 43.482 ( -13.250 -3.134 -3.773) 14.128 56.015 ( -41.103 -10.239 35.565) 55.310 58.408 ( -67.257 73.323 -3.881) 99.574 ======================= Grid point 517 (155/420) ======================= q-point: ( 0.22 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.332 ( 44.310 8.197 30.037) 54.155 5.529 ( 44.274 15.288 29.786) 55.508 8.164 ( 42.661 3.673 14.428) 45.185 9.405 ( 47.765 8.488 13.051) 50.238 9.798 ( 8.872 10.843 -7.169) 15.737 11.671 ( 15.556 -11.548 -2.216) 19.500 12.161 ( 8.754 0.371 5.302) 10.241 12.413 ( 13.045 0.301 4.100) 13.678 13.228 ( 7.648 0.293 -9.365) 12.095 14.236 ( 25.964 -2.900 4.814) 26.566 14.992 ( 26.132 3.678 11.135) 28.642 15.486 ( -2.085 1.267 -13.151) 13.375 16.684 ( -1.199 -19.710 1.211) 19.783 17.181 ( -2.808 4.521 -12.436) 13.527 18.732 ( -1.619 4.226 9.794) 10.789 19.273 ( -15.667 9.222 3.162) 18.452 20.812 ( -12.253 -25.314 1.200) 28.149 21.960 ( -13.207 3.323 -7.336) 15.469 37.419 ( 15.828 2.095 1.675) 16.053 38.668 ( 10.936 -9.386 -13.768) 19.931 41.568 ( 1.452 15.350 5.120) 16.247 43.228 ( -12.750 -2.340 -4.299) 13.657 55.229 ( -38.152 3.453 27.761) 47.309 57.232 ( -54.528 47.794 -3.690) 72.603 ======================= Grid point 518 (156/420) ======================= q-point: ( 0.28 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.163 ( 40.788 7.928 26.709) 49.395 6.433 ( 47.244 6.074 22.386) 52.631 8.803 ( 26.077 -3.976 2.705) 26.517 9.748 ( -0.370 6.303 -3.953) 7.449 10.639 ( 58.955 13.672 20.534) 63.908 11.752 ( 1.464 -10.553 1.497) 10.758 12.037 ( -10.185 3.179 1.917) 10.840 13.072 ( 25.671 -13.077 -11.655) 31.078 13.491 ( 26.388 5.057 -10.991) 29.030 14.619 ( 12.258 -1.685 -3.270) 12.798 15.524 ( 25.274 1.387 7.276) 26.337 15.578 ( 14.671 -0.778 3.157) 15.027 16.597 ( -6.061 -20.623 0.600) 21.503 17.116 ( -4.284 6.834 -11.306) 13.888 18.679 ( -4.704 1.924 6.369) 8.149 18.992 ( -11.538 11.736 12.863) 20.889 20.565 ( -12.772 -22.781 -2.360) 26.223 21.678 ( -15.891 1.369 -5.778) 16.964 37.735 ( 16.218 1.952 0.386) 16.339 38.841 ( 6.807 -6.450 -11.458) 14.806 41.613 ( 3.145 10.626 6.458) 12.826 42.982 ( -12.414 -1.882 -4.420) 13.312 54.551 ( -30.728 10.383 19.738) 37.969 56.239 ( -47.385 33.491 -4.006) 58.163 ======================= Grid point 519 (157/420) ======================= q-point: ( 0.33 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.930 ( 37.574 5.838 23.518) 44.710 7.340 ( 44.641 0.399 18.473) 48.313 9.232 ( 17.092 -9.224 1.287) 19.465 9.723 ( -0.750 7.565 0.536) 7.620 11.363 ( 7.321 -0.890 1.211) 7.474 11.790 ( -8.335 2.212 -2.591) 9.004 12.190 ( 42.508 2.102 16.751) 45.738 13.309 ( 7.264 -12.001 -16.997) 22.039 14.029 ( 15.603 9.097 -24.036) 30.066 14.833 ( 14.153 -9.858 -0.750) 17.265 15.858 ( 13.340 -10.278 9.292) 19.234 16.054 ( 23.122 -3.590 10.193) 25.523 16.576 ( 8.981 -7.289 3.164) 11.992 17.000 ( -7.133 6.891 -13.539) 16.783 18.516 ( -11.015 -2.596 11.479) 16.119 18.875 ( -0.979 14.820 12.884) 19.662 20.320 ( -12.099 -19.291 -4.214) 23.158 21.332 ( -19.586 1.083 -4.266) 20.074 38.044 ( 15.205 1.525 -1.181) 15.327 38.937 ( 3.058 -3.374 -9.316) 10.369 41.690 ( 4.759 6.820 6.733) 10.700 42.743 ( -12.041 -1.489 -3.510) 12.630 54.040 ( -21.283 13.736 13.151) 28.541 55.378 ( -40.573 26.315 -3.773) 48.506 ======================= Grid point 520 (158/420) ======================= q-point: ( 0.39 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.624 ( 32.998 3.624 22.062) 39.859 8.145 ( 36.536 -2.654 16.819) 40.309 9.412 ( 1.309 -9.617 5.393) 11.103 9.776 ( 5.916 2.494 0.349) 6.430 11.335 ( -4.514 -3.785 -6.611) 8.855 11.611 ( -8.826 1.574 -5.634) 10.588 12.961 ( 23.063 -3.494 0.736) 23.337 13.574 ( 26.509 -4.751 -4.565) 27.316 14.079 ( -5.191 15.183 -27.772) 32.074 15.093 ( 7.582 -17.732 4.060) 19.708 16.011 ( 5.167 -16.768 4.693) 18.163 16.421 ( 14.838 -11.599 10.150) 21.395 16.755 ( -5.271 9.821 -5.155) 12.281 17.102 ( 27.125 2.794 -2.019) 27.344 18.316 ( -7.620 1.389 19.823) 21.283 18.898 ( 2.063 9.083 7.743) 12.112 20.104 ( -9.476 -14.683 -4.476) 18.039 20.914 ( -22.893 2.148 -2.875) 23.173 38.322 ( 12.987 0.586 -2.958) 13.332 38.963 ( -0.343 -0.372 -7.434) 7.451 41.799 ( 6.273 3.890 6.154) 9.610 42.513 ( -11.370 -0.982 -1.658) 11.532 53.726 ( -10.722 15.514 7.916) 20.452 54.662 ( -32.313 22.872 -2.783) 39.686 ======================= Grid point 521 (159/420) ======================= q-point: ( 0.44 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.206 ( 26.023 1.955 22.174) 34.245 8.677 ( 13.864 -0.851 19.794) 24.181 9.417 ( 3.652 -11.219 3.963) 12.446 9.848 ( -0.557 -4.778 1.117) 4.939 11.264 ( -2.041 -2.582 -9.676) 10.220 11.457 ( -6.585 2.151 -8.126) 10.678 13.136 ( 2.098 -11.463 -20.308) 23.414 13.940 ( -5.746 17.488 -25.612) 31.540 14.242 ( 32.356 -2.727 8.291) 33.513 15.091 ( -6.782 -13.433 8.220) 17.146 16.117 ( 5.224 -12.846 1.660) 13.966 16.545 ( -4.028 -15.322 -3.358) 16.194 16.713 ( 4.963 0.421 4.507) 6.717 17.567 ( 13.094 12.352 5.468) 18.813 18.337 ( 12.985 -0.631 18.479) 22.594 18.901 ( -3.582 1.063 6.355) 7.372 19.984 ( -1.529 -7.228 -3.707) 8.266 20.460 ( -22.487 3.564 -2.105) 22.865 38.543 ( 9.223 -1.409 -4.963) 10.568 38.929 ( -2.770 2.911 -5.546) 6.849 41.935 ( 7.605 1.631 4.805) 9.142 42.301 ( -10.242 -0.158 0.727) 10.269 53.622 ( -0.017 16.295 3.559) 16.679 54.126 ( -22.071 21.516 -0.841) 30.834 ======================= Grid point 522 (160/420) ======================= q-point: (-0.50 0.08 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.572 ( 0.000 -0.773 22.662) 22.675 8.677 ( -0.000 3.995 22.630) 22.980 9.537 ( 0.000 -16.892 -0.705) 16.907 9.790 ( -0.000 -4.891 3.624) 6.087 11.252 ( 0.000 -1.915 -10.116) 10.295 11.381 ( 0.000 2.664 -9.555) 9.919 13.151 ( 0.000 -12.285 -24.406) 27.323 13.873 ( 0.000 17.812 -24.428) 30.232 14.675 ( 0.000 -14.738 2.373) 14.927 14.919 ( -0.000 1.316 15.931) 15.985 16.182 ( 0.000 -11.167 0.436) 11.176 16.477 ( 0.000 -14.265 -6.178) 15.545 16.776 ( 0.000 -8.033 8.606) 11.772 17.654 ( 0.000 19.450 10.361) 22.038 18.691 ( 0.000 -4.787 8.741) 9.966 18.703 ( 0.000 -4.696 10.516) 11.517 20.082 ( -0.000 0.263 -2.241) 2.256 20.106 ( 0.000 2.494 -2.944) 3.858 38.648 ( -0.000 -4.094 -6.647) 7.806 38.888 ( 0.000 6.032 -3.937) 7.203 42.068 ( 0.000 -1.029 2.723) 2.911 42.142 ( -0.000 2.028 3.210) 3.797 53.674 ( -0.000 14.892 -0.236) 14.894 53.857 ( 0.000 22.798 2.170) 22.901 ======================= Grid point 532 (161/420) ======================= q-point: ( 0.00 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 0.000 40.685 37.807) 55.540 3.542 ( 0.000 44.768 39.084) 59.429 5.926 ( 0.000 66.157 70.844) 96.931 7.829 ( 0.000 -5.533 -14.750) 15.753 8.534 ( 0.000 11.128 -8.247) 13.851 11.365 ( 0.000 5.851 16.683) 17.679 11.820 ( 0.000 -5.658 1.811) 5.940 12.067 ( 0.000 -1.252 2.639) 2.921 12.155 ( 0.000 -6.844 3.472) 7.674 13.284 ( 0.000 -1.695 -8.497) 8.665 15.237 ( 0.000 3.472 3.196) 4.719 15.285 ( 0.000 -15.455 5.760) 16.494 16.019 ( 0.000 -3.179 -4.071) 5.166 17.137 ( 0.000 -8.566 -13.596) 16.070 18.618 ( 0.000 7.199 -0.299) 7.205 20.208 ( 0.000 5.056 -0.339) 5.067 21.036 ( 0.000 -13.095 18.819) 22.927 22.995 ( 0.000 5.710 -22.579) 23.289 36.722 ( 0.000 3.112 3.387) 4.600 37.508 ( 0.000 -2.178 -4.071) 4.617 42.187 ( 0.000 23.453 -21.569) 31.863 43.872 ( 0.000 -11.065 -8.286) 13.824 57.147 ( 0.000 6.409 29.591) 30.277 64.480 ( 0.000 38.919 -110.325) 116.988 ======================= Grid point 533 (162/420) ======================= q-point: ( 0.06 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.675 ( 29.909 36.762 37.031) 60.144 3.720 ( 24.005 41.724 34.698) 59.339 6.073 ( 15.974 61.591 66.460) 92.008 8.082 ( 24.197 -5.881 -13.213) 28.190 8.562 ( 3.888 11.617 -9.131) 15.279 11.238 ( -9.299 7.998 14.661) 19.115 11.808 ( -1.261 -8.414 -1.010) 8.568 12.196 ( 10.991 -4.534 0.743) 11.913 12.385 ( 21.167 -3.133 10.104) 23.663 13.265 ( -1.769 -1.360 -9.046) 9.317 14.935 ( -15.907 5.873 10.489) 19.938 15.483 ( 6.686 -11.673 -1.198) 13.505 16.077 ( 5.559 -5.642 -2.445) 8.289 17.170 ( 2.805 -8.937 -14.062) 16.896 18.646 ( 2.660 6.235 0.096) 6.780 20.162 ( -4.782 5.315 -1.066) 7.228 20.963 ( -7.291 -14.358 18.426) 24.471 22.872 ( -11.645 5.322 -19.824) 23.599 36.779 ( 5.771 3.194 3.399) 7.420 37.616 ( 10.397 -4.404 -5.077) 12.380 42.157 ( -2.987 23.198 -19.585) 30.506 43.800 ( -7.030 -9.805 -7.213) 14.057 57.013 ( -13.466 7.902 28.873) 32.824 63.598 ( -81.762 52.144 -85.548) 129.316 ======================= Grid point 534 (163/420) ======================= q-point: ( 0.11 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.154 ( 29.096 33.255 33.079) 55.197 4.524 ( 42.654 34.904 32.702) 64.086 6.602 ( 38.575 46.241 51.610) 79.308 8.552 ( 15.778 6.773 -1.342) 17.222 8.861 ( 32.987 -0.773 -18.517) 37.837 11.107 ( -2.275 10.205 12.440) 16.250 11.779 ( -1.434 -11.169 -1.628) 11.378 12.419 ( 9.428 -4.766 0.377) 10.571 12.886 ( 28.111 -2.548 11.816) 30.600 13.235 ( 0.124 -0.142 -8.573) 8.575 14.712 ( -5.240 12.043 14.159) 19.312 15.544 ( 0.398 -8.271 -5.476) 9.927 16.201 ( 6.008 -11.658 0.665) 13.132 17.221 ( 2.063 -7.291 -14.606) 16.454 18.713 ( 3.910 4.483 1.158) 6.061 20.019 ( -9.827 6.213 -2.017) 11.800 20.767 ( -12.139 -18.065 16.477) 27.298 22.590 ( -16.035 3.263 -14.503) 21.865 36.941 ( 10.587 3.414 3.363) 11.621 37.878 ( 15.408 -8.265 -6.628) 18.699 42.078 ( -4.727 22.117 -14.523) 26.878 43.620 ( -10.796 -7.359 -5.595) 14.213 56.638 ( -24.335 11.970 26.676) 38.040 61.711 (-101.789 65.878 -46.164) 129.739 ======================= Grid point 535 (164/420) ======================= q-point: ( 0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.807 ( 36.885 23.984 28.769) 52.568 5.287 ( 35.946 34.148 33.365) 59.761 7.493 ( 47.272 23.865 28.778) 60.269 8.914 ( 26.466 14.135 4.713) 30.372 9.554 ( 30.878 -3.008 -14.352) 34.183 11.216 ( 14.144 6.991 6.960) 17.244 11.777 ( 2.965 -13.321 0.924) 13.678 12.484 ( -3.192 -4.223 -2.354) 5.793 13.220 ( 5.182 9.710 -2.985) 11.404 13.532 ( 30.388 -9.243 8.148) 32.791 14.765 ( 10.672 10.145 13.954) 20.286 15.525 ( -1.838 -3.672 -7.692) 8.720 16.279 ( 1.384 -17.886 3.188) 18.221 17.248 ( 0.817 -2.347 -14.828) 15.035 18.782 ( 2.573 3.191 2.114) 4.612 19.780 ( -14.369 7.573 0.294) 16.245 20.516 ( -12.900 -22.408 11.254) 28.199 22.274 ( -15.980 -0.024 -10.022) 18.863 37.184 ( 14.013 3.649 3.131) 14.815 38.186 ( 15.492 -10.185 -7.058) 19.838 41.983 ( -4.713 19.802 -8.488) 22.054 43.395 ( -11.862 -5.428 -5.093) 14.004 56.093 ( -30.476 17.312 23.051) 41.950 59.834 ( -87.977 62.704 -23.349) 110.530 ======================= Grid point 536 (165/420) ======================= q-point: ( 0.22 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.566 ( 40.045 15.401 26.183) 50.263 5.973 ( 34.995 28.439 29.524) 53.899 8.255 ( 29.513 4.859 7.793) 30.909 9.605 ( 33.562 8.602 4.043) 34.882 10.048 ( 30.084 13.972 6.385) 33.779 11.464 ( 4.681 -7.759 -3.527) 9.724 12.074 ( 26.471 -10.967 3.009) 28.810 12.360 ( -4.324 -2.921 -4.940) 7.186 13.331 ( 7.155 9.395 -3.736) 12.386 14.123 ( 27.914 -8.392 7.045) 29.988 15.092 ( 21.099 4.314 12.803) 25.054 15.494 ( -0.515 -0.071 -7.408) 7.426 16.253 ( -3.384 -20.952 4.539) 21.703 17.257 ( -0.123 2.314 -15.229) 15.404 18.788 ( -2.695 0.423 1.476) 3.102 19.490 ( -13.846 10.281 7.630) 18.858 20.278 ( -11.289 -24.055 3.691) 26.828 21.965 ( -15.748 -2.846 -6.886) 17.422 37.478 ( 15.811 3.773 2.598) 16.461 38.469 ( 13.170 -9.614 -6.358) 17.501 41.903 ( -3.337 16.426 -3.313) 17.086 43.161 ( -11.981 -4.267 -5.192) 13.737 55.482 ( -31.029 22.226 18.471) 42.402 58.287 ( -70.689 52.341 -13.685) 89.016 ======================= Grid point 537 (166/420) ======================= q-point: ( 0.28 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.345 ( 38.995 9.610 25.200) 47.413 6.672 ( 36.584 18.644 23.513) 47.316 8.719 ( 19.646 -4.325 1.445) 20.168 9.866 ( 2.144 4.336 -1.385) 5.031 10.982 ( 48.850 19.097 15.593) 54.719 11.510 ( 7.828 -13.380 0.269) 15.504 12.079 ( -10.608 1.878 -3.241) 11.250 12.785 ( 24.910 -16.357 -8.414) 30.965 13.578 ( 20.810 4.918 -5.675) 22.124 14.547 ( 13.768 -5.967 2.346) 15.188 15.459 ( 9.341 -12.324 5.781) 16.510 15.606 ( 17.566 6.507 3.297) 19.021 16.212 ( 2.341 -15.270 5.290) 16.329 17.226 ( -3.535 3.619 -16.352) 17.117 18.663 ( -9.334 -3.395 2.502) 10.242 19.283 ( -7.226 14.470 13.568) 21.111 20.076 ( -9.273 -22.151 -2.221) 24.116 21.649 ( -16.760 -4.310 -4.624) 17.913 37.791 ( 15.933 3.672 1.711) 16.439 38.695 ( 9.942 -7.414 -5.077) 13.401 41.857 ( -1.283 12.571 0.305) 12.640 42.928 ( -11.858 -3.511 -4.860) 13.287 54.911 ( -26.699 25.779 13.710) 39.565 57.044 ( -56.963 43.321 -9.355) 72.173 ======================= Grid point 538 (167/420) ======================= q-point: ( 0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.074 ( 35.254 7.099 24.048) 43.262 7.395 ( 36.839 7.002 19.199) 42.128 9.042 ( 13.014 -9.655 2.315) 16.369 9.853 ( -2.340 4.860 2.184) 5.819 11.284 ( -2.002 -6.857 -4.172) 8.272 11.835 ( -8.802 1.529 -5.430) 10.455 12.293 ( 48.186 8.270 17.136) 51.806 13.077 ( 9.727 -12.232 -14.475) 21.301 14.065 ( 22.482 -6.682 -11.065) 25.934 14.666 ( 0.479 -4.334 -0.094) 4.362 15.573 ( 4.879 -18.448 5.773) 19.936 15.945 ( 13.369 -5.764 6.192) 15.821 16.482 ( 25.124 -2.276 6.853) 26.142 17.114 ( -7.043 3.763 -16.963) 18.748 18.485 ( -7.526 -0.606 9.064) 11.797 19.173 ( -5.110 12.503 11.371) 17.656 19.921 ( -6.368 -16.638 -4.262) 18.317 21.302 ( -18.858 -4.186 -2.883) 19.531 38.091 ( 14.485 3.215 0.460) 14.845 38.856 ( 6.429 -4.427 -3.583) 8.588 41.854 ( 0.984 8.778 2.413) 9.157 42.700 ( -11.436 -2.822 -3.674) 12.338 54.460 ( -18.975 28.076 9.286) 35.136 56.044 ( -45.569 37.728 -6.684) 59.537 ======================= Grid point 539 (168/420) ======================= q-point: ( 0.39 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.720 ( 30.647 5.157 22.479) 38.356 8.085 ( 32.814 -2.134 17.590) 37.292 9.203 ( 2.907 -11.059 6.252) 13.032 9.794 ( -3.651 -0.752 3.246) 4.943 11.227 ( -2.502 -6.574 -6.467) 9.555 11.649 ( -9.087 2.341 -4.733) 10.510 12.924 ( 10.778 0.020 -9.577) 14.418 13.463 ( 33.165 -8.793 1.821) 34.359 14.296 ( 1.128 0.072 -20.326) 20.357 14.667 ( 1.340 -16.583 7.798) 18.374 15.706 ( 8.878 -15.254 5.264) 18.418 16.116 ( 3.530 -16.873 5.212) 18.009 16.892 ( 1.739 4.310 -8.487) 9.676 17.172 ( 26.290 3.562 -0.660) 26.539 18.384 ( -2.931 5.594 15.633) 16.861 19.057 ( -7.131 4.394 5.997) 10.302 19.841 ( -1.274 -8.213 -3.170) 8.895 20.911 ( -20.963 -2.580 -1.589) 21.180 38.349 ( 11.572 2.247 -1.130) 11.842 38.948 ( 3.052 -1.193 -1.972) 3.825 41.895 ( 3.211 5.379 3.222) 7.044 42.484 ( -10.513 -1.959 -1.775) 10.840 54.181 ( -9.359 29.533 5.267) 31.425 55.259 ( -34.676 34.856 -4.281) 49.353 ======================= Grid point 540 (169/420) ======================= q-point: ( 0.44 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.261 ( 24.178 3.239 22.188) 32.975 8.627 ( 20.109 -4.464 19.049) 28.056 9.170 ( -4.222 -11.943 6.427) 14.204 9.700 ( -6.099 -9.567 4.448) 12.186 11.209 ( 0.740 -2.834 -7.423) 7.980 11.488 ( -7.169 1.172 -4.621) 8.610 13.007 ( 1.557 -1.741 -22.620) 22.741 14.032 ( 19.990 -18.885 1.196) 27.525 14.228 ( -4.947 7.647 -20.881) 22.781 14.727 ( 4.591 -20.547 13.528) 25.025 15.876 ( 7.530 -13.144 4.996) 15.950 16.097 ( -4.064 -20.049 2.879) 20.659 16.872 ( -0.532 10.222 -8.439) 13.266 17.733 ( 23.943 3.139 0.634) 24.156 18.384 ( 4.239 6.499 18.516) 20.076 18.876 ( -11.807 -3.471 4.204) 13.005 19.892 ( 6.840 -1.233 -1.881) 7.200 20.497 ( -20.779 -0.005 -0.935) 20.800 38.533 ( 6.930 0.754 -2.916) 7.556 38.981 ( 0.574 1.842 -0.279) 1.950 41.977 ( 5.046 2.478 2.854) 6.304 42.293 ( -8.807 -0.696 0.448) 8.845 54.095 ( 0.325 30.341 1.361) 30.374 54.694 ( -22.665 33.657 -1.424) 40.602 ======================= Grid point 541 (170/420) ======================= q-point: (-0.50 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.578 ( 0.000 1.279 23.609) 23.643 8.758 ( -0.000 3.597 23.357) 23.632 9.151 ( 0.000 -20.240 -0.566) 20.248 9.608 ( 0.000 -12.644 6.864) 14.387 11.231 ( 0.000 -0.329 -7.429) 7.437 11.402 ( 0.000 -0.312 -4.804) 4.814 13.022 ( 0.000 -1.045 -25.788) 25.809 14.161 ( 0.000 10.485 -20.781) 23.276 14.226 ( 0.000 -29.545 -2.349) 29.638 14.792 ( 0.000 -17.711 16.335) 24.094 15.999 ( 0.000 -22.694 4.501) 23.136 16.000 ( -0.000 -7.487 3.434) 8.237 16.869 ( 0.000 10.511 -7.205) 12.744 17.969 ( 0.000 10.501 2.618) 10.823 18.586 ( 0.000 -6.030 8.432) 10.366 18.608 ( -0.000 -0.998 11.751) 11.793 20.077 ( -0.000 -0.978 -1.530) 1.816 20.169 ( 0.000 3.451 -0.838) 3.551 38.604 ( 0.000 -0.248 -3.947) 3.955 38.983 ( 0.000 3.389 0.699) 3.460 42.060 ( 0.000 0.170 1.472) 1.481 42.174 ( -0.000 1.047 2.497) 2.708 54.136 ( 0.000 30.276 -2.201) 30.356 54.434 ( 0.000 33.675 1.779) 33.722 ======================= Grid point 551 (171/420) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.133 ( 0.000 43.979 27.606) 51.926 4.552 ( 0.000 54.001 23.168) 58.761 7.204 ( 0.000 58.660 48.236) 75.945 7.678 ( 0.000 -9.850 -9.676) 13.808 8.782 ( 0.000 13.252 -5.186) 14.231 11.169 ( 0.000 -18.199 18.644) 26.054 11.712 ( 0.000 -4.945 0.092) 4.946 12.022 ( 0.000 -3.109 1.002) 3.266 12.326 ( 0.000 15.699 17.637) 23.612 13.305 ( 0.000 4.806 -20.251) 20.813 14.996 ( 0.000 -13.171 12.362) 18.064 15.315 ( 0.000 4.206 2.780) 5.042 15.946 ( 0.000 -3.989 -3.198) 5.112 16.801 ( 0.000 -21.233 -6.333) 22.157 18.827 ( 0.000 10.895 -0.891) 10.932 20.138 ( 0.000 -9.958 5.376) 11.317 20.874 ( 0.000 -5.191 12.033) 13.105 23.036 ( 0.000 -0.313 -16.703) 16.706 36.794 ( 0.000 4.074 2.917) 5.011 37.456 ( 0.000 -2.999 -3.362) 4.506 42.546 ( 0.000 13.499 -22.296) 26.064 43.654 ( 0.000 -10.560 -9.196) 14.003 57.605 ( 0.000 36.816 13.153) 39.095 64.618 ( 0.000 -19.760 -90.677) 92.805 ======================= Grid point 552 (172/420) ======================= q-point: ( 0.06 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.459 ( 29.262 41.251 27.222) 57.436 4.669 ( 13.429 50.911 21.847) 57.005 7.250 ( 5.975 51.793 43.148) 67.676 7.947 ( 25.681 -6.942 -7.307) 27.588 8.807 ( 3.023 12.985 -4.213) 13.982 11.117 ( -3.755 -15.665 18.382) 24.441 11.750 ( 1.457 0.066 -2.895) 3.242 12.116 ( 9.848 -2.939 0.954) 10.321 12.450 ( 12.322 6.841 19.516) 24.073 13.300 ( -0.073 5.791 -20.141) 20.957 14.917 ( -6.105 -7.226 12.809) 15.923 15.367 ( 3.951 0.365 2.207) 4.540 15.966 ( 1.675 -5.541 -2.039) 6.137 16.853 ( 5.106 -19.423 -7.097) 21.300 18.830 ( 0.312 9.496 -0.730) 9.529 20.094 ( -4.514 -9.983 5.640) 12.322 20.794 ( -8.005 -4.609 11.252) 14.558 22.911 ( -12.149 -0.263 -15.608) 19.781 36.853 ( 5.914 4.130 3.066) 7.838 37.534 ( 7.713 -3.923 -3.415) 9.302 42.515 ( -3.090 13.583 -21.052) 25.243 43.602 ( -5.196 -9.801 -8.713) 14.105 57.484 ( -12.136 36.841 12.921) 40.883 63.993 ( -60.215 -8.163 -79.082) 99.732 ======================= Grid point 553 (173/420) ======================= q-point: ( 0.11 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.916 ( 20.450 41.741 24.017) 52.320 5.276 ( 41.066 39.524 23.433) 61.625 7.482 ( 18.211 37.914 31.632) 52.628 8.589 ( 36.308 -4.530 -4.264) 36.837 8.944 ( 13.583 11.263 -1.471) 17.706 11.083 ( 1.640 -12.188 17.409) 21.315 11.724 ( -3.829 5.684 -5.603) 8.852 12.339 ( 9.595 -2.669 1.409) 10.058 12.793 ( 22.511 -6.374 14.843) 27.707 13.330 ( 4.004 9.042 -15.573) 18.447 14.823 ( -2.296 -1.912 13.666) 13.989 15.436 ( 2.951 -0.952 0.925) 3.236 15.992 ( 0.498 -9.027 0.539) 9.056 16.985 ( 7.885 -14.338 -9.343) 18.843 18.835 ( -0.021 5.174 -0.276) 5.182 19.963 ( -8.692 -9.675 6.961) 14.751 20.576 ( -13.728 -2.902 8.381) 16.344 22.601 ( -18.344 -1.134 -12.958) 22.487 37.019 ( 10.843 4.312 3.395) 12.152 37.740 ( 12.856 -5.794 -3.319) 14.486 42.430 ( -5.451 13.623 -17.576) 22.896 43.463 ( -8.699 -8.144 -7.797) 14.240 57.145 ( -22.008 36.952 12.205) 44.708 62.485 ( -87.922 13.080 -55.508) 104.797 ======================= Grid point 554 (174/420) ======================= q-point: ( 0.17 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.377 ( 26.632 32.415 22.338) 47.529 6.025 ( 34.076 38.730 26.174) 57.847 7.923 ( 24.117 17.441 13.591) 32.719 9.169 ( 26.388 5.885 1.951) 27.106 9.496 ( 38.417 2.452 3.400) 38.645 11.232 ( 14.450 -10.554 13.667) 22.516 11.620 ( -5.952 3.209 -5.262) 8.568 12.421 ( -0.884 -1.636 -3.940) 4.357 13.281 ( 23.219 -8.775 0.708) 24.832 13.479 ( 13.164 8.988 1.537) 16.013 14.859 ( 6.166 -2.898 13.356) 14.993 15.489 ( 2.763 1.936 0.336) 3.390 15.974 ( -2.300 -11.747 2.930) 12.324 17.139 ( 7.233 -8.136 -12.763) 16.775 18.813 ( -2.919 -2.305 0.523) 3.756 19.766 ( -10.771 -6.990 10.185) 16.389 20.290 ( -14.568 -0.891 2.784) 14.858 22.230 ( -19.033 -3.535 -9.759) 21.679 37.267 ( 14.251 4.569 3.678) 15.411 38.015 ( 14.767 -7.087 -2.735) 16.606 42.311 ( -6.473 13.153 -12.747) 19.427 43.274 ( -10.388 -6.583 -7.121) 14.211 56.650 ( -27.853 37.183 10.978) 47.737 60.742 ( -87.009 27.058 -35.395) 97.752 ======================= Grid point 555 (175/420) ======================= q-point: ( 0.22 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.943 ( 30.742 22.161 21.550) 43.596 6.621 ( 27.975 35.537 26.496) 52.417 8.333 ( 17.399 2.376 2.286) 17.709 9.670 ( 20.060 -1.241 0.196) 20.099 10.314 ( 47.182 9.401 15.774) 50.629 11.410 ( -5.651 3.226 -1.990) 6.805 11.744 ( 25.870 -19.447 3.267) 32.529 12.355 ( -4.109 1.684 -8.672) 9.743 13.536 ( 8.102 9.387 -4.604) 13.227 13.930 ( 26.445 -9.574 8.671) 29.431 15.022 ( 8.134 -12.092 11.298) 18.439 15.575 ( 7.225 9.059 1.578) 11.695 15.928 ( -1.028 -11.140 4.243) 11.965 17.241 ( 2.518 -4.511 -16.651) 17.434 18.701 ( -8.216 -9.937 2.591) 13.152 19.579 ( -7.782 -0.955 12.751) 14.968 20.033 ( -11.271 0.297 -3.081) 11.688 21.868 ( -17.967 -6.159 -6.614) 20.112 37.565 ( 15.904 4.781 3.734) 17.021 38.302 ( 14.205 -7.106 -1.641) 15.967 42.186 ( -6.013 11.858 -7.827) 15.428 43.063 ( -11.031 -5.466 -6.529) 13.935 56.087 ( -28.827 37.442 9.280) 48.157 59.154 ( -74.663 32.176 -22.643) 84.395 ======================= Grid point 556 (176/420) ======================= q-point: ( 0.28 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.562 ( 32.136 12.765 21.175) 40.547 7.150 ( 26.438 28.059 24.239) 45.539 8.625 ( 13.019 -5.289 1.076) 14.094 9.904 ( 5.183 0.023 4.234) 6.693 11.189 ( 10.508 -15.047 -1.155) 18.389 11.374 ( 31.174 14.636 10.129) 35.898 12.112 ( 3.770 -1.082 -0.592) 3.967 12.445 ( 18.382 -14.186 -8.349) 24.675 13.708 ( 10.149 8.007 -2.154) 13.106 14.376 ( 17.757 -10.922 3.484) 21.136 15.110 ( 1.676 -20.141 7.979) 21.728 15.754 ( 7.586 6.497 2.512) 10.299 16.033 ( 15.124 -2.762 6.449) 16.672 17.220 ( -4.485 -5.292 -19.169) 20.385 18.542 ( -6.414 -8.275 5.687) 11.915 19.445 ( -6.991 1.201 10.024) 12.280 19.865 ( -5.643 2.264 -4.248) 7.417 21.523 ( -17.454 -7.677 -3.821) 19.447 37.877 ( 15.760 4.826 3.448) 16.839 38.561 ( 12.095 -5.986 -0.206) 13.497 42.083 ( -4.425 9.817 -3.754) 11.403 42.846 ( -11.094 -4.624 -5.519) 13.226 55.552 ( -25.191 37.580 7.234) 45.817 57.831 ( -60.638 33.183 -15.010) 70.735 ======================= Grid point 557 (177/420) ======================= q-point: ( 0.33 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.185 ( 31.222 5.089 20.522) 37.708 7.660 ( 25.621 18.578 22.056) 38.575 8.846 ( 9.262 -10.039 3.628) 14.132 9.910 ( -4.113 1.263 7.751) 8.865 11.118 ( -3.802 -9.971 -5.730) 12.113 11.837 ( -1.485 -1.410 -5.578) 5.942 12.448 ( 34.801 4.340 13.219) 37.479 12.791 ( 15.676 -15.051 -11.146) 24.423 13.895 ( 7.047 -6.591 0.701) 9.674 14.603 ( 5.730 -4.772 -3.519) 8.245 15.181 ( 7.406 -19.129 5.955) 21.360 15.828 ( 0.489 -6.281 3.164) 7.050 16.484 ( 27.865 2.489 5.129) 28.442 17.121 ( -3.305 -3.416 -17.230) 17.874 18.481 ( -0.030 -0.167 7.754) 7.756 19.279 ( -9.937 -0.089 3.817) 10.645 19.808 ( -0.613 4.494 -0.860) 4.617 21.178 ( -17.913 -7.617 -1.545) 19.527 38.170 ( 13.929 4.601 2.769) 14.928 38.769 ( 9.110 -4.151 1.400) 10.109 42.018 ( -2.193 7.353 -0.886) 7.724 42.633 ( -10.585 -3.791 -3.908) 11.903 55.125 ( -18.051 37.519 4.957) 41.929 56.775 ( -47.597 33.416 -10.031) 59.015 ======================= Grid point 558 (178/420) ======================= q-point: ( 0.39 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.771 ( 28.466 -0.284 18.891) 34.165 8.143 ( 23.471 8.871 21.568) 33.087 8.972 ( 3.250 -11.974 7.256) 14.373 9.756 ( -11.184 -2.651 9.556) 14.948 11.093 ( 1.193 -6.929 -5.746) 9.080 11.707 ( -8.853 3.428 -4.061) 10.326 12.857 ( 8.494 -12.816 -9.978) 18.329 13.228 ( 24.394 -9.474 0.229) 26.170 13.973 ( 2.371 -21.588 4.291) 22.138 14.623 ( -3.050 2.247 -8.764) 9.548 15.386 ( 11.634 -16.388 5.173) 20.753 15.801 ( -1.567 -13.939 2.995) 14.343 16.972 ( 14.100 4.238 -8.555) 17.028 17.214 ( 19.034 0.432 -3.961) 19.446 18.513 ( 2.491 6.060 10.381) 12.276 19.068 ( -11.342 0.158 1.180) 11.404 19.826 ( 2.344 4.350 0.781) 5.002 20.821 ( -18.562 -6.014 0.079) 19.512 38.412 ( 10.579 4.058 1.733) 11.462 38.915 ( 5.778 -2.053 3.052) 6.850 41.999 ( 0.284 4.796 0.737) 4.861 42.436 ( -9.378 -2.762 -1.907) 9.961 54.860 ( -8.864 37.263 2.449) 38.381 55.964 ( -35.394 33.961 -6.232) 49.446 ======================= Grid point 559 (179/420) ======================= q-point: ( 0.44 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.284 ( 23.442 -2.991 17.025) 29.126 8.556 ( 17.611 0.489 22.282) 28.405 8.960 ( -4.362 -9.832 9.950) 14.653 9.501 ( -13.759 -9.501 10.929) 19.975 11.156 ( 4.884 -2.380 -5.226) 7.539 11.525 ( -9.246 3.021 -2.563) 10.059 12.976 ( 4.566 -7.257 -17.708) 19.675 13.541 ( 8.175 -21.806 -5.458) 23.919 14.024 ( 2.339 -30.898 6.949) 31.756 14.519 ( -6.052 2.050 -10.061) 11.919 15.577 ( 7.230 -15.292 6.512) 18.125 15.816 ( 2.635 -10.481 3.258) 11.288 17.097 ( 3.234 11.399 -13.780) 18.174 17.707 ( 24.129 -4.346 -3.443) 24.758 18.546 ( -0.167 6.313 11.153) 12.817 18.854 ( -9.544 5.386 6.156) 12.570 19.909 ( 6.521 1.713 0.323) 6.749 20.465 ( -17.244 -2.955 0.978) 17.523 38.575 ( 5.835 3.335 0.587) 6.747 38.997 ( 2.635 -0.224 4.519) 5.236 42.027 ( 2.481 2.394 1.112) 3.623 42.272 ( -7.208 -1.417 0.123) 7.347 54.780 ( 0.413 36.853 -0.535) 36.860 55.393 ( -22.669 34.750 -2.670) 41.576 ======================= Grid point 560 (180/420) ======================= q-point: (-0.50 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.616 ( 0.000 2.221 24.749) 24.848 8.697 ( 0.000 -14.454 8.224) 16.629 8.895 ( -0.000 0.138 17.704) 17.705 9.319 ( 0.000 -15.481 10.762) 18.855 11.238 ( 0.000 1.031 -5.372) 5.470 11.399 ( 0.000 0.785 -1.687) 1.861 13.026 ( 0.000 -3.972 -20.479) 20.861 13.612 ( 0.000 -25.794 -7.799) 26.947 14.043 ( 0.000 -34.713 6.369) 35.293 14.451 ( 0.000 -0.328 -9.028) 9.034 15.652 ( 0.000 -14.187 6.532) 15.619 15.851 ( 0.000 -8.094 4.424) 9.224 17.128 ( 0.000 13.844 -14.156) 19.800 17.992 ( 0.000 -7.074 -8.806) 11.295 18.510 ( 0.000 -0.160 6.706) 6.708 18.755 ( 0.000 15.008 16.775) 22.508 20.037 ( -0.000 -3.080 -0.919) 3.214 20.226 ( 0.000 1.795 1.937) 2.641 38.633 ( 0.000 2.952 0.021) 2.952 39.022 ( 0.000 0.560 5.182) 5.212 42.070 ( 0.000 0.746 0.380) 0.837 42.183 ( 0.000 -0.145 1.704) 1.710 54.819 ( 0.000 36.557 -3.674) 36.741 55.136 ( 0.000 35.219 0.633) 35.225 ======================= Grid point 570 (181/420) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.994 ( 0.000 41.812 20.007) 46.352 5.617 ( 0.000 51.615 15.649) 53.935 7.428 ( 0.000 -15.511 -3.804) 15.971 7.989 ( 0.000 13.455 4.628) 14.229 9.237 ( 0.000 37.523 30.895) 48.605 10.810 ( 0.000 -16.419 12.212) 20.462 11.631 ( 0.000 -3.126 -1.273) 3.375 11.950 ( 0.000 -3.916 -1.093) 4.065 12.570 ( 0.000 7.988 23.654) 24.967 13.433 ( 0.000 3.946 -16.673) 17.134 14.825 ( 0.000 -1.440 13.197) 13.275 15.399 ( 0.000 4.144 2.276) 4.728 15.865 ( 0.000 -4.043 -2.210) 4.608 16.381 ( 0.000 -19.921 -3.866) 20.293 18.976 ( 0.000 3.054 8.073) 8.632 19.951 ( 0.000 -5.955 2.041) 6.295 20.741 ( 0.000 -9.122 5.753) 10.785 23.018 ( 0.000 -0.948 -11.423) 11.463 36.879 ( 0.000 4.317 2.327) 4.905 37.391 ( 0.000 -3.389 -2.534) 4.232 42.758 ( 0.000 8.441 -20.169) 21.864 43.457 ( 0.000 -9.180 -12.130) 15.212 58.538 ( 0.000 55.550 -2.865) 55.624 63.869 ( 0.000 -51.940 -69.862) 87.055 ======================= Grid point 571 (182/420) ======================= q-point: ( 0.06 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.277 ( 26.619 39.959 19.608) 51.863 5.678 ( 6.976 49.128 15.125) 51.875 7.629 ( 18.291 -10.959 -2.438) 21.462 8.043 ( 7.061 8.141 2.828) 11.141 9.244 ( 1.435 34.764 29.948) 45.907 10.783 ( -1.895 -16.042 12.776) 20.595 11.742 ( 9.051 -0.639 -2.789) 9.492 12.058 ( 10.733 -3.108 -0.626) 11.192 12.576 ( 1.150 5.178 22.086) 22.714 13.443 ( 1.348 4.403 -14.993) 15.684 14.786 ( -3.340 -1.842 12.846) 13.400 15.422 ( 2.036 3.364 1.738) 4.299 15.861 ( -0.211 -4.721 -1.030) 4.837 16.477 ( 9.174 -17.362 -4.421) 20.128 18.944 ( -3.349 0.891 8.586) 9.259 19.913 ( -3.761 -5.250 2.308) 6.858 20.681 ( -6.006 -7.895 4.790) 11.016 22.895 ( -12.125 -0.799 -11.277) 16.578 36.939 ( 6.014 4.355 2.585) 7.863 37.457 ( 6.601 -3.744 -2.309) 7.933 42.729 ( -2.966 8.481 -19.342) 21.327 43.416 ( -4.093 -8.741 -11.752) 15.207 58.409 ( -13.037 54.618 -2.535) 56.210 63.439 ( -42.231 -43.851 -64.264) 88.522 ======================= Grid point 572 (183/420) ======================= q-point: ( 0.11 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.760 ( 15.431 41.660 18.341) 48.063 6.058 ( 35.847 38.087 15.086) 54.435 7.943 ( 11.152 7.480 2.860) 13.730 8.411 ( 31.370 -12.684 -3.559) 34.024 9.340 ( 9.952 27.205 27.353) 39.842 10.776 ( 2.135 -16.094 13.726) 21.259 11.870 ( 2.209 7.007 -3.941) 8.337 12.308 ( 10.618 -1.084 3.674) 11.288 12.685 ( 13.526 -2.757 10.268) 17.204 13.505 ( 5.289 4.946 -8.711) 11.328 14.726 ( -2.066 -3.218 12.234) 12.818 15.471 ( 3.010 1.591 0.411) 3.429 15.857 ( -0.403 -3.815 2.009) 4.330 16.704 ( 13.064 -13.152 -6.696) 19.709 18.838 ( -7.607 -5.466 10.094) 13.770 19.814 ( -5.995 -2.701 3.121) 7.279 20.519 ( -10.096 -4.414 1.922) 11.185 22.574 ( -19.712 -1.118 -10.705) 22.459 37.108 ( 11.059 4.490 3.234) 12.367 37.639 ( 11.598 -4.517 -1.613) 12.551 42.645 ( -5.461 8.537 -16.947) 19.746 43.303 ( -7.254 -7.715 -10.813) 15.135 58.046 ( -23.491 52.121 -1.677) 57.195 62.330 ( -67.685 -25.727 -51.173) 88.666 ======================= Grid point 573 (184/420) ======================= q-point: ( 0.17 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.059 ( 16.964 35.062 16.855) 42.440 6.777 ( 33.482 35.048 16.850) 51.316 8.145 ( 10.429 5.018 2.923) 11.937 9.086 ( 33.596 -9.082 -2.264) 34.875 9.689 ( 26.238 10.955 21.437) 35.609 10.906 ( 12.187 -18.424 13.195) 25.731 11.821 ( -6.200 13.693 1.025) 15.066 12.402 ( 0.945 -0.938 -2.187) 2.560 13.112 ( 26.459 -5.737 -0.379) 27.077 13.646 ( 8.738 4.679 -0.034) 9.913 14.720 ( 1.264 -6.484 11.700) 13.436 15.552 ( 5.744 0.200 -0.516) 5.771 15.842 ( -0.887 0.004 5.253) 5.328 16.947 ( 10.661 -10.433 -11.210) 18.659 18.647 ( -11.428 -13.035 12.229) 21.214 19.697 ( -5.574 1.254 4.302) 7.152 20.306 ( -11.136 0.055 -2.215) 11.354 22.162 ( -21.657 -2.803 -9.309) 23.740 37.361 ( 14.513 4.718 4.013) 15.779 37.895 ( 14.230 -5.130 -0.459) 15.133 42.521 ( -6.981 8.419 -13.367) 17.271 43.140 ( -9.198 -6.631 -9.606) 14.861 57.519 ( -29.529 48.756 -0.620) 57.004 60.920 ( -73.800 -7.929 -37.168) 83.010 ======================= Grid point 574 (185/420) ======================= q-point: ( 0.22 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.431 ( 20.854 26.275 16.498) 37.382 7.325 ( 23.205 32.402 18.153) 43.794 8.345 ( 9.697 0.083 4.335) 10.622 9.636 ( 21.527 -0.519 3.094) 21.755 10.299 ( 32.427 -10.680 12.726) 36.435 11.267 ( 23.267 -22.013 8.383) 33.109 11.695 ( -3.550 17.515 5.815) 18.794 12.394 ( -1.127 1.579 -9.571) 9.765 13.606 ( 21.415 -3.130 -6.137) 22.496 13.844 ( 12.378 1.414 6.795) 14.191 14.746 ( 0.420 -11.848 11.174) 16.292 15.698 ( 8.027 -3.498 -0.061) 8.756 15.860 ( 4.915 8.465 6.911) 11.982 17.073 ( 1.172 -11.779 -16.466) 20.279 18.441 ( -7.891 -13.837 13.290) 20.745 19.598 ( -4.902 3.717 4.690) 7.735 20.104 ( -8.984 3.460 -5.303) 10.991 21.750 ( -20.220 -5.120 -6.820) 21.945 37.663 ( 16.095 4.964 4.678) 17.481 38.181 ( 14.610 -5.203 1.056) 15.545 42.380 ( -7.207 7.892 -9.330) 14.187 42.950 ( -10.143 -5.749 -8.147) 14.224 56.924 ( -30.474 45.203 0.270) 54.517 59.523 ( -67.776 4.825 -25.875) 72.707 ======================= Grid point 575 (186/420) ======================= q-point: ( 0.28 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.864 ( 23.067 17.469 16.393) 33.256 7.722 ( 18.263 26.304 18.733) 37.099 8.521 ( 8.273 -3.240 6.811) 11.195 9.921 ( 8.012 3.281 9.797) 13.074 10.751 ( 9.913 -27.677 3.169) 29.568 11.614 ( 11.986 2.032 0.701) 12.178 11.946 ( 29.307 -6.029 10.725) 31.785 12.377 ( -0.097 2.960 -11.390) 11.769 13.871 ( 6.272 6.941 -1.665) 9.502 14.154 ( 16.991 -9.463 2.296) 19.584 14.739 ( 0.722 -15.872 8.823) 18.174 15.785 ( 0.626 -2.473 2.955) 3.904 16.113 ( 19.603 8.840 4.344) 21.938 17.011 ( -4.932 -14.427 -17.977) 23.572 18.384 ( 1.859 -6.524 10.487) 12.490 19.486 ( -6.914 4.653 1.823) 8.531 19.971 ( -4.455 4.562 -3.949) 7.500 21.374 ( -18.256 -6.568 -3.606) 19.734 37.978 ( 15.773 5.128 5.064) 17.342 38.455 ( 13.236 -4.697 2.790) 14.319 42.248 ( -6.200 6.853 -5.594) 10.802 42.749 ( -10.288 -4.991 -6.318) 13.064 56.357 ( -26.756 41.861 0.726) 49.686 58.300 ( -56.839 13.089 -17.704) 60.954 ======================= Grid point 576 (187/420) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.322 ( 23.471 9.237 16.174) 29.964 8.058 ( 16.341 18.109 19.398) 31.165 8.665 ( 6.286 -5.823 9.402) 12.720 9.943 ( -6.215 3.082 15.501) 16.983 10.817 ( 2.279 -22.005 -2.146) 22.227 11.798 ( 4.544 -1.142 -0.900) 4.771 12.401 ( 2.863 -6.645 -11.101) 13.251 12.561 ( 29.332 -9.807 7.222) 31.760 13.860 ( -6.779 2.998 2.498) 7.822 14.446 ( 12.781 -9.679 0.077) 16.032 14.849 ( 10.144 -14.429 1.731) 17.722 15.708 ( -7.826 -5.237 2.715) 9.800 16.568 ( 25.720 5.192 1.004) 26.258 16.996 ( 4.796 -8.095 -15.320) 17.979 18.474 ( 6.357 -0.258 7.641) 9.943 19.331 ( -8.542 6.464 -2.049) 10.907 19.919 ( -1.348 3.636 -0.051) 3.878 21.029 ( -17.202 -6.597 -0.420) 18.428 38.269 ( 13.695 5.131 5.082) 15.482 38.691 ( 10.644 -3.788 4.602) 12.200 42.144 ( -4.292 5.382 -2.642) 7.374 42.552 ( -9.645 -4.162 -4.183) 11.307 55.900 ( -19.546 38.853 0.603) 43.497 57.306 ( -44.856 18.736 -11.853) 50.036 ======================= Grid point 577 (188/420) ======================= q-point: ( 0.39 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.772 ( 22.337 1.821 15.184) 27.071 8.365 ( 15.045 9.636 20.879) 27.480 8.756 ( 2.684 -7.199 11.836) 14.111 9.704 ( -16.647 -2.386 17.781) 24.474 10.921 ( 8.152 -11.156 -2.820) 14.102 11.783 ( -5.349 4.249 -2.682) 7.339 12.469 ( 4.097 -18.713 -5.958) 20.062 13.017 ( 16.542 -19.546 1.034) 25.627 13.679 ( -9.958 -3.555 -0.227) 10.576 14.612 ( 1.937 -3.757 -5.406) 6.862 15.071 ( 12.020 -14.683 1.909) 19.071 15.589 ( -1.521 -6.992 2.821) 7.691 17.040 ( 18.362 1.755 -9.467) 20.733 17.203 ( 17.715 -0.999 -8.421) 19.639 18.598 ( 5.425 3.351 7.597) 9.918 19.173 ( -6.847 10.094 -1.863) 12.339 19.905 ( -0.178 1.801 2.161) 2.818 20.698 ( -16.647 -5.648 2.122) 17.707 38.504 ( 10.124 4.957 4.746) 12.230 38.867 ( 7.320 -2.739 6.327) 10.056 42.083 ( -1.881 3.669 -0.697) 4.181 42.377 ( -8.180 -3.127 -2.024) 8.988 55.606 ( -10.307 36.169 -0.196) 37.609 56.544 ( -33.056 23.001 -7.467) 40.957 ======================= Grid point 578 (189/420) ======================= q-point: ( 0.44 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.181 ( 18.829 -4.678 12.312) 22.978 8.632 ( 10.037 1.743 23.985) 26.059 8.774 ( 1.283 -5.492 13.539) 14.667 9.346 ( -18.911 -6.060 19.061) 27.526 11.110 ( 10.597 -2.458 -2.589) 11.182 11.618 ( -10.641 6.263 -2.065) 12.519 12.564 ( 5.251 -26.578 -3.923) 27.375 13.214 ( 3.934 -31.897 2.786) 32.260 13.518 ( -5.393 -0.303 -10.517) 11.823 14.535 ( -6.610 -3.416 -9.406) 11.994 15.304 ( 10.198 -10.903 4.619) 15.627 15.633 ( 3.737 -7.843 3.300) 9.293 17.266 ( 7.311 4.650 -16.350) 18.504 17.601 ( 17.893 -5.804 -8.948) 20.831 18.651 ( -0.427 7.593 6.154) 9.783 19.095 ( -0.850 15.092 5.880) 16.219 19.918 ( 1.726 -1.458 2.097) 3.083 20.392 ( -13.829 -4.062 3.741) 14.891 38.657 ( 5.402 4.698 4.250) 8.326 38.975 ( 3.681 -1.867 7.683) 8.722 42.070 ( 0.509 1.940 0.118) 2.010 42.238 ( -5.775 -1.883 -0.166) 6.076 55.499 ( -0.854 33.818 -1.881) 33.881 56.014 ( -20.885 26.287 -3.815) 33.790 ======================= Grid point 579 (190/420) ======================= q-point: (-0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.424 ( 0.000 -10.524 6.050) 12.139 8.638 ( 0.000 -1.364 23.536) 23.575 8.941 ( 0.000 2.512 24.522) 24.650 9.038 ( 0.000 -10.910 16.054) 19.411 11.275 ( 0.000 2.717 -3.809) 4.679 11.449 ( 0.000 4.085 -0.062) 4.085 12.629 ( 0.000 -28.830 -4.178) 29.131 13.226 ( 0.000 -40.845 8.853) 41.793 13.477 ( 0.000 6.548 -19.839) 20.892 14.457 ( 0.000 -3.879 -9.168) 9.954 15.412 ( 0.000 -8.719 3.919) 9.560 15.675 ( 0.000 -9.099 4.282) 10.056 17.340 ( 0.000 6.353 -17.699) 18.804 17.793 ( 0.000 -11.104 -12.307) 16.576 18.628 ( 0.000 12.181 4.632) 13.032 19.100 ( 0.000 17.528 12.343) 21.438 19.954 ( 0.000 -5.136 0.901) 5.215 20.227 ( 0.000 -1.894 4.741) 5.105 38.711 ( 0.000 4.568 3.997) 6.070 39.011 ( 0.000 -1.517 8.226) 8.365 42.086 ( 0.000 0.846 -0.151) 0.860 42.171 ( 0.000 -0.962 1.033) 1.411 55.524 ( 0.000 32.587 -4.280) 32.867 55.777 ( 0.000 27.839 -0.789) 27.850 ======================= Grid point 589 (191/420) ======================= q-point: ( 0.00 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.772 ( 0.000 35.575 14.032) 38.242 6.568 ( 0.000 43.054 10.290) 44.266 7.058 ( 0.000 -21.349 1.987) 21.441 7.886 ( 0.000 -17.557 -1.072) 17.589 10.054 ( 0.000 35.660 36.070) 50.721 10.548 ( 0.000 -9.066 10.880) 14.163 11.589 ( 0.000 -1.143 -1.786) 2.120 11.878 ( 0.000 -2.948 -3.153) 4.316 12.708 ( 0.000 8.272 15.376) 17.459 13.321 ( 0.000 -14.673 2.794) 14.936 14.965 ( 0.000 12.416 3.503) 12.901 15.473 ( 0.000 3.045 1.780) 3.527 15.792 ( 0.000 -3.018 -1.344) 3.303 16.029 ( 0.000 -14.730 -1.334) 14.790 18.967 ( 0.000 -2.263 18.899) 19.034 19.935 ( 0.000 3.244 -3.348) 4.662 20.524 ( 0.000 -11.324 0.300) 11.328 23.006 ( 0.000 -0.307 -8.048) 8.054 36.958 ( 0.000 3.288 1.740) 3.720 37.328 ( 0.000 -2.753 -1.770) 3.273 42.898 ( 0.000 5.745 -17.202) 18.135 43.295 ( 0.000 -6.840 -16.003) 17.404 59.765 ( 0.000 66.037 -18.259) 68.514 62.664 ( 0.000 -66.397 -52.435) 84.606 ======================= Grid point 590 (192/420) ======================= q-point: ( 0.06 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.018 ( 23.476 33.415 13.630) 43.052 6.579 ( 2.219 39.681 9.830) 40.941 7.320 ( 25.148 -17.456 1.162) 30.635 7.912 ( 2.938 -17.279 -0.669) 17.539 9.979 ( -6.452 31.596 34.826) 47.464 10.518 ( -2.276 -10.058 11.570) 15.499 11.742 ( 13.228 0.958 -2.462) 13.489 11.996 ( 11.533 -2.845 -2.247) 12.089 12.700 ( -0.342 9.156 14.840) 17.441 13.340 ( 2.151 -14.360 2.987) 14.824 14.908 ( -4.990 11.762 3.070) 13.140 15.451 ( -2.036 -1.445 0.302) 2.515 15.799 ( 1.927 -0.859 0.519) 2.173 16.183 ( 13.251 -11.670 -1.758) 17.744 18.892 ( -7.557 -4.040 19.525) 21.322 19.909 ( -2.517 3.496 -3.366) 5.467 20.490 ( -3.352 -9.973 -0.400) 10.529 22.886 ( -11.949 -0.185 -8.330) 14.568 37.018 ( 6.084 3.313 2.057) 7.226 37.389 ( 6.182 -2.875 -1.438) 6.968 42.869 ( -2.980 5.695 -16.602) 17.803 43.260 ( -3.442 -6.585 -15.557) 17.240 59.606 ( -15.924 63.998 -17.340) 68.191 62.367 ( -29.491 -60.990 -49.450) 83.874 ======================= Grid point 591 (193/420) ======================= q-point: ( 0.11 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.514 ( 17.211 31.797 14.393) 38.916 6.757 ( 23.018 31.215 6.548) 39.332 7.903 ( 22.101 -7.710 -1.095) 23.432 8.091 ( 26.686 -18.874 1.963) 32.745 9.860 ( -4.447 21.222 31.510) 38.249 10.492 ( 0.336 -11.814 13.855) 18.211 11.993 ( 10.302 5.757 -4.757) 12.725 12.260 ( 11.437 -4.151 3.626) 12.696 12.754 ( 9.077 10.521 8.334) 16.204 13.420 ( 6.294 -13.173 4.046) 15.150 14.806 ( -4.848 10.077 2.641) 11.490 15.418 ( -0.607 -6.686 -1.508) 6.880 15.862 ( 3.865 3.297 3.702) 6.286 16.480 ( 15.936 -8.801 -4.233) 18.690 18.678 ( -13.942 -8.138 20.885) 26.397 19.845 ( -3.812 4.034 -3.022) 6.319 20.400 ( -5.691 -6.538 -2.194) 8.941 22.562 ( -20.355 -0.213 -8.879) 22.209 37.190 ( 11.230 3.412 2.901) 12.090 37.561 ( 11.072 -3.162 -0.499) 11.526 42.785 ( -5.530 5.568 -14.870) 16.814 43.164 ( -6.336 -5.970 -14.292) 16.735 59.165 ( -28.386 58.533 -14.868) 66.731 61.572 ( -49.829 -47.598 -41.887) 80.641 ======================= Grid point 592 (194/420) ======================= q-point: ( 0.17 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.730 ( 10.282 31.020 12.185) 34.877 7.310 ( 25.451 14.248 4.360) 29.492 8.196 ( 16.086 3.597 6.157) 17.596 8.887 ( 43.648 -10.651 0.965) 44.940 9.851 ( 4.758 6.243 24.169) 25.411 10.551 ( 6.289 -16.455 16.378) 24.053 12.103 ( 0.809 13.120 2.002) 13.296 12.369 ( 2.253 -2.435 1.504) 3.642 13.102 ( 23.279 5.211 -0.880) 23.872 13.584 ( 10.185 -10.682 4.688) 15.487 14.729 ( -3.242 6.976 3.572) 8.482 15.448 ( 3.950 -8.396 -1.328) 9.374 15.941 ( 4.553 6.648 5.359) 9.677 16.754 ( 10.409 -8.056 -9.489) 16.226 18.387 ( -14.050 -10.956 22.065) 28.361 19.768 ( -3.910 4.344 -1.722) 6.092 20.275 ( -6.997 -2.626 -4.624) 8.788 22.125 ( -23.422 -0.980 -8.841) 25.054 37.447 ( 14.764 3.604 4.029) 15.722 37.809 ( 13.943 -3.439 0.903) 14.389 42.658 ( -7.231 5.382 -12.237) 15.198 43.018 ( -8.370 -5.297 -12.364) 15.843 58.533 ( -35.231 51.165 -11.546) 63.185 60.500 ( -57.784 -31.876 -32.648) 73.627 ======================= Grid point 593 (195/420) ======================= q-point: ( 0.22 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.961 ( 13.328 26.070 11.445) 31.437 7.690 ( 14.687 -0.779 2.012) 14.845 8.518 ( 14.527 21.545 16.182) 30.612 9.596 ( 25.899 -10.081 7.547) 28.799 10.071 ( 15.041 -2.771 11.697) 19.255 10.790 ( 20.609 -25.006 13.248) 35.008 12.072 ( -2.140 16.838 9.791) 19.595 12.406 ( 1.480 -0.305 -7.187) 7.344 13.551 ( 20.822 -0.510 -2.502) 20.978 13.812 ( 13.402 -6.227 1.661) 14.871 14.651 ( -5.578 2.117 6.571) 8.876 15.576 ( 8.774 -6.550 1.072) 11.001 16.064 ( 8.648 9.154 4.183) 13.270 16.825 ( -3.607 -11.346 -14.231) 18.554 18.214 ( -2.036 -8.215 19.848) 21.578 19.693 ( -3.825 4.774 0.154) 6.119 20.132 ( -7.336 -0.325 -7.060) 10.187 21.676 ( -21.914 -2.226 -7.188) 23.170 37.754 ( 16.349 3.863 5.183) 17.580 38.092 ( 14.714 -3.565 2.587) 15.360 42.509 ( -7.795 5.068 -9.115) 13.021 42.842 ( -9.460 -4.725 -9.938) 14.511 57.826 ( -36.047 43.433 -8.160) 57.030 59.377 ( -55.821 -17.879 -24.038) 63.352 ======================= Grid point 594 (196/420) ======================= q-point: ( 0.28 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.245 ( 15.511 20.288 11.353) 27.948 7.936 ( 11.227 -7.233 3.298) 13.756 8.725 ( 7.049 25.775 22.772) 35.109 9.985 ( 16.753 -12.407 8.572) 22.540 10.209 ( -2.347 -10.257 15.853) 19.027 11.351 ( 31.384 -19.500 -0.367) 36.951 12.074 ( 3.228 10.606 9.394) 14.531 12.420 ( -0.211 0.408 -8.552) 8.565 13.887 ( 14.100 -3.753 1.785) 14.699 14.095 ( 12.742 1.280 -5.237) 13.835 14.514 ( -5.951 -5.990 8.362) 11.883 15.723 ( 2.872 -2.880 4.101) 5.776 16.295 ( 15.251 8.341 0.711) 17.397 16.719 ( -2.178 -13.200 -14.946) 20.059 18.291 ( 8.198 -2.925 12.766) 15.451 19.613 ( -4.573 6.990 0.521) 8.369 19.999 ( -5.996 -1.513 -7.207) 9.496 21.279 ( -18.696 -2.893 -3.752) 19.287 38.073 ( 15.947 4.130 6.165) 17.589 38.373 ( 13.683 -3.503 4.388) 14.791 42.361 ( -7.189 4.517 -5.991) 10.392 42.654 ( -9.593 -4.190 -7.219) 12.715 57.156 ( -31.730 36.359 -5.317) 48.549 58.353 ( -48.272 -6.878 -17.018) 51.644 ======================= Grid point 595 (197/420) ======================= q-point: ( 0.33 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.557 ( 16.162 14.155 11.803) 24.513 8.142 ( 9.926 -9.675 6.389) 15.263 8.818 ( 2.963 20.295 24.713) 32.116 9.997 ( -15.428 -4.690 21.696) 27.032 10.335 ( 17.157 -16.946 5.449) 24.723 11.797 ( 11.695 -1.087 -2.887) 12.095 12.223 ( 10.001 -9.410 -3.010) 14.058 12.399 ( -0.465 -5.241 -2.022) 5.636 13.972 ( -9.524 6.505 3.554) 12.069 14.296 ( 14.669 -3.604 1.725) 15.203 14.582 ( 10.071 -12.632 -3.250) 16.479 15.631 ( -9.154 -2.404 3.244) 10.005 16.664 ( 21.389 4.067 -3.242) 22.012 16.842 ( 13.419 -6.533 -13.818) 20.339 18.478 ( 10.161 0.552 8.180) 13.056 19.513 ( -5.494 10.758 -2.196) 12.278 19.907 ( -3.376 -4.824 -2.958) 6.589 20.937 ( -16.630 -2.600 0.400) 16.837 38.366 ( 13.742 4.359 6.850) 15.961 38.619 ( 11.276 -3.313 6.168) 13.272 42.234 ( -5.606 3.681 -3.285) 7.468 42.473 ( -8.778 -3.546 -4.505) 10.484 56.609 ( -23.794 30.409 -3.361) 38.758 57.502 ( -38.522 1.389 -11.631) 40.264 ======================= Grid point 596 (198/420) ======================= q-point: ( 0.39 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.868 ( 15.445 7.832 12.543) 21.383 8.325 ( 8.747 -10.877 9.523) 16.896 8.854 ( 0.828 13.379 24.885) 28.265 9.634 ( -20.373 -5.958 24.364) 32.313 10.687 ( 18.611 -9.457 3.728) 21.206 11.887 ( -0.704 6.536 -1.989) 6.868 12.222 ( -6.055 -7.120 -7.438) 11.945 12.519 ( 7.030 -24.983 1.744) 26.011 13.748 ( -9.598 6.358 -0.745) 11.537 14.490 ( -0.639 -7.155 -6.162) 9.464 14.829 ( 17.358 -9.017 1.415) 19.611 15.511 ( -1.732 -1.536 1.694) 2.869 17.043 ( 16.117 -0.644 -8.057) 18.030 17.180 ( 19.185 -1.356 -14.798) 24.267 18.677 ( 10.055 4.152 7.417) 13.167 19.412 ( -4.284 12.751 -4.177) 14.085 19.862 ( -1.385 -6.145 2.201) 6.673 20.618 ( -16.144 -2.257 4.163) 16.824 38.601 ( 10.064 4.543 7.180) 13.170 38.808 ( 7.931 -3.111 7.782) 11.538 42.146 ( -3.356 2.622 -1.295) 4.451 42.317 ( -7.095 -2.712 -2.144) 7.893 56.238 ( -13.881 25.641 -2.445) 29.259 56.849 ( -28.231 7.530 -7.576) 30.184 ======================= Grid point 597 (199/420) ======================= q-point: ( 0.44 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.150 ( 12.757 1.847 12.092) 17.675 8.472 ( 5.553 -11.179 12.236) 17.479 8.865 ( 1.113 7.721 25.534) 26.699 9.244 ( -18.369 -4.550 25.624) 31.855 11.055 ( 18.667 -2.740 1.791) 18.951 11.758 ( -12.316 6.855 -2.639) 14.340 12.150 ( -0.273 -12.575 -2.219) 12.772 12.563 ( -1.738 -28.027 3.451) 28.292 13.654 ( -0.391 8.923 -10.298) 13.632 14.359 ( -8.768 -12.324 -7.211) 16.756 15.170 ( 14.882 -3.225 2.059) 15.366 15.518 ( 0.533 -3.482 1.283) 3.749 17.301 ( 9.975 0.076 -13.951) 17.150 17.488 ( 10.769 -5.052 -15.657) 19.663 18.861 ( 7.994 11.524 5.402) 15.030 19.361 ( -0.736 10.157 -1.217) 10.256 19.853 ( 0.616 -4.263 5.483) 6.972 20.314 ( -14.093 -3.412 6.836) 16.031 38.753 ( 5.324 4.691 7.208) 10.115 38.926 ( 4.062 -2.999 9.007) 10.326 42.105 ( -0.849 1.513 -0.228) 1.750 42.201 ( -4.631 -1.764 -0.415) 4.973 56.068 ( -3.624 21.959 -2.682) 22.417 56.400 ( -17.497 11.973 -4.482) 21.669 ======================= Grid point 598 (200/420) ======================= q-point: (-0.50 0.42 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.303 ( 0.000 -1.612 8.892) 9.037 8.520 ( -0.000 -9.272 16.413) 18.851 8.941 ( -0.000 0.090 24.807) 24.807 8.975 ( 0.000 0.717 26.840) 26.850 11.346 ( 0.000 4.416 -1.852) 4.788 11.521 ( 0.000 1.132 1.454) 1.843 12.162 ( 0.000 -14.148 -2.190) 14.317 12.527 ( 0.000 -27.899 4.987) 28.341 13.668 ( 0.000 11.587 -15.238) 19.143 14.255 ( 0.000 -15.072 -5.689) 16.110 15.338 ( -0.000 0.705 0.112) 0.714 15.510 ( 0.000 -7.114 2.629) 7.584 17.406 ( 0.000 1.735 -17.513) 17.598 17.590 ( 0.000 -8.748 -14.559) 16.985 18.946 ( 0.000 17.853 1.030) 17.882 19.365 ( 0.000 5.870 3.497) 6.833 19.873 ( 0.000 -0.456 6.928) 6.943 20.144 ( 0.000 -6.429 7.561) 9.925 38.806 ( 0.000 4.759 7.160) 8.597 38.965 ( 0.000 -2.976 9.490) 9.946 42.104 ( 0.000 0.930 -0.182) 0.947 42.148 ( 0.000 -1.236 0.501) 1.334 56.062 ( 0.000 20.374 -4.076) 20.777 56.200 ( 0.000 13.806 -2.156) 13.973 ======================= Grid point 608 (201/420) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.272 ( 0.000 0.000 10.174) 10.174 6.702 ( 0.000 -0.000 5.926) 5.926 7.203 ( 0.000 0.000 -1.567) 1.567 7.501 ( 0.000 -0.000 13.037) 13.037 10.395 ( 0.000 0.000 5.440) 5.440 10.500 ( 0.000 -0.000 36.885) 36.885 11.579 ( 0.000 0.000 -1.744) 1.744 11.847 ( 0.000 0.000 -4.139) 4.139 12.951 ( 0.000 -0.000 -1.928) 1.928 12.981 ( 0.000 0.000 24.732) 24.732 15.132 ( 0.000 0.000 -2.765) 2.765 15.507 ( 0.000 0.000 1.533) 1.533 15.759 ( 0.000 0.000 -0.959) 0.959 15.857 ( 0.000 0.000 2.000) 2.000 18.939 ( 0.000 0.000 22.260) 22.260 19.995 ( 0.000 0.000 -2.702) 2.702 20.381 ( 0.000 0.000 -3.637) 3.637 23.003 ( 0.000 0.000 -6.925) 6.925 36.994 ( 0.000 -0.000 1.452) 1.452 37.297 ( 0.000 0.000 -1.417) 1.417 42.967 ( 0.000 0.000 -14.459) 14.459 43.214 ( 0.000 -0.000 -19.146) 19.146 60.884 ( 0.000 0.000 -28.872) 28.872 61.538 ( 0.000 0.000 -41.389) 41.389 ======================= Grid point 610 (202/420) ======================= q-point: ( 0.06 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.464 ( 18.138 0.000 10.130) 20.775 6.929 ( 19.289 0.000 4.213) 19.744 7.268 ( 9.778 0.000 -0.393) 9.785 7.549 ( 5.509 -0.000 11.729) 12.959 10.354 ( -12.365 0.000 35.015) 37.134 10.372 ( -1.912 -0.000 6.642) 6.912 11.762 ( 15.717 0.000 -1.358) 15.776 11.961 ( 10.608 0.000 -3.265) 11.099 12.981 ( 0.475 -0.000 23.038) 23.043 12.982 ( 3.410 0.000 -0.648) 3.471 15.078 ( -4.924 0.000 -3.723) 6.173 15.400 ( -7.018 0.000 1.562) 7.190 15.809 ( 4.551 0.000 0.544) 4.584 16.050 ( 15.650 0.000 0.825) 15.672 18.845 ( -9.401 0.000 22.867) 24.724 19.968 ( -2.612 0.000 -3.209) 4.137 20.366 ( -1.601 0.000 -3.802) 4.126 22.885 ( -11.855 0.000 -7.322) 13.934 37.055 ( 6.117 -0.000 1.782) 6.372 37.357 ( 6.069 0.000 -1.050) 6.159 42.936 ( -3.082 0.000 -14.013) 14.348 43.183 ( -3.148 -0.000 -18.580) 18.844 60.677 ( -20.725 0.000 -27.397) 34.353 61.322 ( -21.495 0.000 -39.469) 44.943 ======================= Grid point 612 (203/420) ======================= q-point: ( 0.11 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.876 ( 20.485 0.000 10.732) 23.126 7.169 ( 6.441 0.000 -0.736) 6.483 7.771 ( 19.074 -0.000 7.793) 20.605 7.815 ( 42.979 -0.000 3.783) 43.145 10.103 ( -11.924 0.000 33.138) 35.219 10.341 ( -0.923 0.000 9.746) 9.790 12.080 ( 14.770 0.000 -3.991) 15.299 12.185 ( 9.879 -0.000 1.834) 10.048 13.042 ( 7.361 -0.000 15.817) 17.446 13.098 ( 8.783 0.000 2.528) 9.140 14.966 ( -6.027 0.000 -4.434) 7.483 15.303 ( -2.261 0.000 1.139) 2.532 15.911 ( 5.432 0.000 2.995) 6.203 16.384 ( 17.179 0.000 -2.438) 17.351 18.588 ( -16.147 0.000 24.121) 29.026 19.901 ( -3.993 0.000 -3.747) 5.476 20.319 ( -3.195 0.000 -4.419) 5.453 22.561 ( -20.511 0.000 -8.202) 22.090 37.228 ( 11.321 -0.000 2.684) 11.634 37.526 ( 10.908 0.000 -0.032) 10.908 42.850 ( -5.675 0.000 -12.720) 13.929 43.093 ( -5.922 -0.000 -16.941) 17.946 60.107 ( -36.338 0.000 -23.477) 43.262 60.734 ( -37.370 0.000 -34.410) 50.799 ======================= Grid point 614 (204/420) ======================= q-point: ( 0.17 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.191 ( 12.469 0.000 10.813) 16.504 7.294 ( 7.174 -0.000 -0.589) 7.199 8.299 ( 32.523 0.000 3.780) 32.742 8.731 ( 45.555 -0.000 6.838) 46.065 9.943 ( -1.853 0.000 27.517) 27.580 10.341 ( 0.707 0.000 14.176) 14.194 12.288 ( 0.846 -0.000 10.269) 10.303 12.300 ( 7.686 0.000 -6.740) 10.223 13.300 ( 18.215 -0.000 3.987) 18.646 13.318 ( 12.949 0.000 4.302) 13.645 14.849 ( -6.138 0.000 -2.354) 6.573 15.327 ( 4.985 0.000 0.864) 5.059 16.019 ( 5.994 0.000 3.995) 7.204 16.665 ( 9.719 0.000 -8.199) 12.715 18.270 ( -14.127 0.000 25.159) 28.854 19.820 ( -4.071 0.000 -2.939) 5.021 20.239 ( -4.984 0.000 -5.821) 7.663 22.117 ( -23.998 0.000 -8.634) 25.504 37.487 ( 14.918 -0.000 3.939) 15.429 37.771 ( 13.805 0.000 1.435) 13.880 42.720 ( -7.395 0.000 -10.725) 13.027 42.956 ( -8.003 -0.000 -14.409) 16.482 59.308 ( -44.067 0.000 -18.295) 47.714 59.915 ( -45.004 0.000 -27.806) 52.901 ======================= Grid point 616 (205/420) ======================= q-point: ( 0.22 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.413 ( 11.078 0.000 9.662) 14.700 7.456 ( 9.256 -0.000 0.947) 9.304 8.938 ( 30.977 0.000 1.472) 31.012 9.284 ( 7.046 -0.000 26.511) 27.431 10.269 ( 37.406 0.000 3.624) 37.581 10.350 ( -0.452 -0.000 19.888) 19.893 12.261 ( -2.629 -0.000 12.730) 12.998 12.396 ( 2.567 0.000 -7.378) 7.812 13.575 ( 13.096 -0.000 3.345) 13.516 13.698 ( 21.221 0.000 -3.937) 21.583 14.705 ( -9.227 0.000 2.928) 9.680 15.495 ( 11.525 0.000 1.812) 11.667 16.167 ( 9.712 0.000 2.492) 10.026 16.695 ( -6.610 0.000 -12.427) 14.075 18.130 ( 0.964 0.000 21.743) 21.764 19.748 ( -3.136 0.000 -0.445) 3.167 20.121 ( -7.120 0.000 -8.297) 10.933 21.655 ( -22.479 0.000 -7.351) 23.651 37.798 ( 16.547 -0.000 5.307) 17.377 38.052 ( 14.643 0.000 3.125) 14.973 42.567 ( -8.033 0.000 -8.271) 11.529 42.786 ( -9.157 -0.000 -11.276) 14.526 58.435 ( -43.984 0.000 -13.065) 45.884 59.023 ( -45.193 0.000 -21.185) 49.912 ======================= Grid point 618 (206/420) ======================= q-point: ( 0.28 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.639 ( 12.067 0.000 8.706) 14.880 7.649 ( 10.212 -0.000 3.685) 10.856 9.258 ( -5.012 0.000 30.929) 31.332 9.470 ( 22.620 0.000 0.278) 22.622 10.303 ( -4.109 0.000 26.224) 26.544 11.090 ( 40.494 -0.000 -5.929) 40.926 12.205 ( -2.859 0.000 10.303) 10.692 12.407 ( -1.474 0.000 -7.789) 7.927 13.845 ( 14.996 0.000 2.693) 15.236 14.096 ( 18.725 0.000 -8.964) 20.760 14.474 ( -13.984 0.000 8.050) 16.135 15.691 ( 4.341 0.000 4.574) 6.306 16.408 ( 14.661 -0.000 -0.391) 14.666 16.553 ( -1.517 0.000 -14.231) 14.311 18.262 ( 10.496 0.000 13.574) 17.159 19.702 ( -1.482 0.000 3.239) 3.562 19.963 ( -8.868 0.000 -11.258) 14.331 21.252 ( -18.705 0.000 -3.865) 19.100 38.121 ( 16.171 -0.000 6.598) 17.465 38.332 ( 13.659 0.000 4.845) 14.493 42.413 ( -7.572 0.000 -5.674) 9.462 42.604 ( -9.265 -0.000 -7.929) 12.195 57.626 ( -37.945 0.000 -8.630) 38.914 58.179 ( -40.424 0.000 -15.432) 43.269 ======================= Grid point 620 (207/420) ======================= q-point: ( 0.33 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.847 ( 9.983 0.000 7.583) 12.537 7.881 ( 12.518 -0.000 8.273) 15.004 9.150 ( -5.587 0.000 29.028) 29.560 9.731 ( -0.109 0.000 9.355) 9.356 10.291 ( 7.925 0.000 22.148) 23.523 11.744 ( 25.159 -0.000 -8.111) 26.434 12.151 ( -2.681 0.000 6.093) 6.657 12.337 ( -5.642 -0.000 -8.255) 9.999 14.044 ( -6.342 0.000 5.292) 8.260 14.328 ( 11.922 0.000 6.855) 13.753 14.383 ( 8.971 -0.000 -11.895) 14.899 15.608 ( -8.627 0.000 3.503) 9.311 16.720 ( 16.593 0.000 -3.448) 16.947 16.759 ( 19.473 0.000 -14.952) 24.551 18.486 ( 11.829 0.000 8.515) 14.575 19.692 ( 0.427 0.000 6.867) 6.880 19.785 ( -9.041 -0.000 -12.882) 15.738 20.914 ( -16.309 0.000 0.675) 16.323 38.419 ( 14.010 -0.000 7.697) 15.985 38.577 ( 11.218 0.000 6.430) 12.931 42.278 ( -6.150 0.000 -3.273) 6.967 42.431 ( -8.341 -0.000 -4.798) 9.622 56.974 ( -28.292 0.000 -5.400) 28.803 57.458 ( -33.054 0.000 -10.820) 34.780 ======================= Grid point 622 (208/420) ======================= q-point: ( 0.39 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.038 ( 9.562 0.000 11.902) 15.268 8.118 ( 11.313 -0.000 8.383) 14.080 9.047 ( -4.908 -0.000 26.375) 26.828 9.519 ( -16.877 0.000 24.813) 30.008 10.603 ( 20.368 0.000 9.596) 22.515 12.026 ( 0.824 -0.000 -7.961) 8.004 12.107 ( -1.552 0.000 2.537) 2.974 12.223 ( -2.931 -0.000 -4.824) 5.645 13.829 ( -8.758 0.000 3.175) 9.315 14.401 ( -6.736 0.000 -12.023) 13.781 14.735 ( 23.069 0.000 3.824) 23.383 15.500 ( -1.726 0.000 1.065) 2.029 17.036 ( 15.271 0.000 -6.988) 16.794 17.162 ( 18.940 0.000 -17.691) 25.918 18.726 ( 13.011 0.000 7.361) 14.949 19.617 ( -8.104 0.000 -11.835) 14.344 19.720 ( 2.522 -0.000 9.020) 9.366 20.598 ( -16.312 0.000 4.989) 17.058 38.660 ( 10.467 -0.000 8.526) 13.500 38.764 ( 7.692 0.000 7.739) 10.912 42.177 ( -4.001 0.000 -1.370) 4.229 42.284 ( -6.545 -0.000 -2.268) 6.927 56.530 ( -17.060 0.000 -3.482) 17.412 56.894 ( -24.483 0.000 -7.312) 25.552 ======================= Grid point 624 (209/420) ======================= q-point: ( 0.44 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.221 ( 8.955 0.000 14.479) 17.025 8.304 ( 7.014 -0.000 9.221) 11.586 8.965 ( -3.076 -0.000 25.073) 25.261 9.181 ( -15.787 0.000 29.056) 33.067 11.025 ( 22.187 0.000 4.968) 22.736 11.827 ( -16.397 0.000 -4.744) 17.070 12.099 ( 0.857 0.000 0.621) 1.058 12.204 ( -2.257 0.000 -0.273) 2.274 13.779 ( 3.594 0.000 -4.032) 5.401 14.188 ( -13.233 0.000 -10.606) 16.959 15.141 ( 17.428 0.000 1.959) 17.538 15.487 ( -1.438 0.000 -0.206) 1.453 17.301 ( 11.380 0.000 -11.413) 16.117 17.430 ( 7.581 0.000 -19.309) 20.744 19.001 ( 14.808 -0.000 5.376) 15.754 19.461 ( -8.268 0.000 -7.993) 11.500 19.801 ( 6.213 -0.000 9.755) 11.565 20.275 ( -16.413 0.000 8.518) 18.491 38.823 ( 6.051 -0.000 9.012) 10.855 38.873 ( 3.422 0.000 8.646) 9.299 42.124 ( -1.392 0.000 -0.201) 1.406 42.179 ( -4.139 -0.000 -0.605) 4.183 56.308 ( -5.653 0.000 -2.820) 6.317 56.505 ( -15.196 0.000 -4.814) 15.940 ======================= Grid point 626 (210/420) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.352 ( -0.640 -6.030 12.221) 13.643 8.352 ( 0.640 6.030 12.221) 13.643 8.967 ( -4.315 -0.689 27.590) 27.934 8.967 ( 4.315 0.689 27.590) 27.934 11.453 ( -18.294 -3.020 0.748) 18.557 11.453 ( 18.294 3.020 0.748) 18.557 12.141 ( -0.496 -10.432 0.223) 10.446 12.141 ( 0.496 10.432 0.223) 10.446 13.936 ( -3.992 -14.440 -8.572) 17.260 13.936 ( 3.992 14.440 -8.572) 17.260 15.396 ( -5.913 -3.202 0.364) 6.734 15.396 ( 5.913 3.202 0.364) 6.734 17.458 ( -1.709 -3.923 -16.294) 16.846 17.458 ( 1.709 3.923 -16.294) 16.846 19.270 ( -4.903 -11.813 -1.340) 12.860 19.270 ( 4.903 11.813 -1.340) 12.860 19.983 ( -7.241 -7.311 10.128) 14.438 19.983 ( 7.241 7.311 10.128) 14.438 38.895 ( -0.197 -4.033 9.072) 9.930 38.895 ( 0.197 4.033 9.072) 9.930 42.124 ( -0.745 -0.956 0.083) 1.215 42.124 ( 0.745 0.956 0.083) 1.215 56.305 ( -3.044 -2.875 -3.299) 5.330 56.305 ( 3.044 2.875 -3.299) 5.331 ======================= Grid point 741 (211/420) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.373 ( 0.000 0.000 54.548) 54.548 4.021 ( 0.000 0.000 64.011) 64.011 5.815 ( 0.000 0.000 85.873) 85.873 7.477 ( 0.000 0.000 -27.335) 27.335 8.408 ( 0.000 0.000 -14.652) 14.652 10.507 ( 0.000 0.000 -5.924) 5.924 12.082 ( 0.000 0.000 4.467) 4.467 12.113 ( 0.000 0.000 3.553) 3.553 13.204 ( 0.000 0.000 -2.118) 2.118 13.328 ( 0.000 0.000 18.017) 18.017 15.247 ( 0.000 0.000 5.319) 5.319 15.973 ( 0.000 0.000 -6.753) 6.753 15.981 ( 0.000 0.000 -15.323) 15.323 16.181 ( 0.000 0.000 2.096) 2.096 18.793 ( 0.000 0.000 2.639) 2.639 19.529 ( 0.000 0.000 -15.305) 15.305 21.822 ( 0.000 0.000 3.092) 3.092 22.227 ( 0.000 0.000 -9.523) 9.523 36.746 ( 0.000 0.000 5.445) 5.445 37.444 ( 0.000 0.000 -6.446) 6.446 41.504 ( 0.000 0.000 18.750) 18.750 43.851 ( 0.000 0.000 -19.557) 19.557 58.718 ( 0.000 0.000 7.992) 7.992 60.485 ( 0.000 0.000 -23.464) 23.464 ======================= Grid point 742 (212/420) ======================= q-point: ( 0.06 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( 34.826 0.000 50.520) 61.361 4.157 ( 13.916 0.000 60.725) 62.299 6.007 ( 20.523 0.000 80.029) 82.619 7.743 ( 25.815 0.000 -27.558) 37.760 8.379 ( -1.614 0.000 -11.140) 11.257 10.520 ( 2.059 0.000 -4.610) 5.049 12.173 ( 8.296 0.000 4.878) 9.624 12.237 ( 11.360 0.000 2.336) 11.598 13.194 ( -1.428 0.000 -0.651) 1.570 13.369 ( 4.630 0.000 16.795) 17.422 14.875 ( -25.627 0.000 11.688) 28.167 15.666 ( -15.192 0.000 -16.316) 22.294 16.296 ( 15.904 0.000 -5.886) 16.958 16.489 ( 20.678 0.000 -3.588) 20.987 18.852 ( 5.306 0.000 2.883) 6.039 19.504 ( -2.511 0.000 -14.213) 14.434 21.768 ( -5.413 0.000 2.739) 6.066 22.177 ( -4.867 0.000 -9.574) 10.740 36.798 ( 5.233 0.000 5.339) 7.476 37.564 ( 11.477 0.000 -9.628) 14.981 41.513 ( 0.910 0.000 18.458) 18.481 43.782 ( -6.817 0.000 -17.898) 19.152 58.563 ( -15.697 0.000 7.059) 17.212 59.862 ( -58.413 0.000 -6.358) 58.758 ======================= Grid point 743 (213/420) ======================= q-point: ( 0.11 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.521 ( 39.288 0.000 47.541) 61.674 4.562 ( 27.208 0.000 52.667) 59.280 6.653 ( 44.955 0.000 60.910) 75.703 8.390 ( 36.834 0.000 -28.318) 46.461 8.420 ( 7.858 0.000 -2.973) 8.402 10.639 ( 11.977 0.000 -1.693) 12.096 12.340 ( 7.090 0.000 6.944) 9.924 12.472 ( 9.992 0.000 0.972) 10.039 13.127 ( -5.595 0.000 3.462) 6.580 13.538 ( 13.342 0.000 12.264) 18.122 14.532 ( -5.995 0.000 11.862) 13.291 15.393 ( -12.399 0.000 -19.818) 23.378 16.585 ( 13.155 0.000 -2.299) 13.355 16.809 ( 11.428 0.000 -6.339) 13.069 18.959 ( 4.536 0.000 5.366) 7.026 19.434 ( -4.518 0.000 -10.820) 11.726 21.614 ( -10.248 0.000 1.704) 10.389 22.052 ( -7.578 0.000 -10.323) 12.806 36.946 ( 9.713 0.000 4.984) 10.917 37.846 ( 16.152 0.000 -15.016) 22.054 41.540 ( 1.807 0.000 17.622) 17.714 43.602 ( -11.031 0.000 -14.449) 18.179 58.120 ( -29.022 0.000 4.607) 29.385 58.482 ( -76.165 0.000 18.582) 78.399 ======================= Grid point 744 (214/420) ======================= q-point: ( 0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.203 ( 37.608 0.000 43.309) 57.358 5.247 ( 35.507 0.000 44.914) 57.254 7.618 ( 47.285 0.000 30.027) 56.013 8.791 ( 33.755 0.000 14.003) 36.544 9.031 ( 25.689 0.000 -26.664) 37.026 11.063 ( 32.000 0.000 -1.485) 32.034 12.422 ( 1.802 0.000 9.216) 9.390 12.528 ( -5.543 0.000 5.722) 7.966 13.034 ( -1.528 0.000 -0.063) 1.530 13.875 ( 19.367 0.000 3.723) 19.722 14.662 ( 17.397 0.000 7.679) 19.016 15.207 ( -5.431 0.000 -17.929) 18.734 16.793 ( 7.798 0.000 -1.334) 7.911 16.946 ( 3.049 0.000 -6.540) 7.216 19.004 ( -0.004 0.000 10.355) 10.355 19.333 ( -5.699 0.000 -4.942) 7.543 21.375 ( -13.973 0.000 0.066) 13.973 21.890 ( -8.898 0.000 -11.721) 14.716 37.169 ( 12.891 0.000 4.288) 13.586 38.158 ( 15.075 0.000 -17.728) 23.271 41.584 ( 2.676 0.000 16.335) 16.553 43.369 ( -12.506 0.000 -11.402) 16.923 57.048 ( -68.404 0.000 28.169) 73.977 57.454 ( -38.249 0.000 1.483) 38.278 ======================= Grid point 745 (215/420) ======================= q-point: ( 0.22 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.937 ( 35.514 0.000 38.509) 52.385 6.004 ( 43.570 0.000 34.953) 55.858 8.348 ( 29.333 0.000 3.612) 29.555 9.374 ( 10.912 0.000 -19.968) 22.755 9.775 ( 61.981 0.000 30.730) 69.181 11.749 ( 28.575 0.000 -4.410) 28.913 12.319 ( -13.055 0.000 9.309) 16.034 12.509 ( 13.340 0.000 5.760) 14.530 13.061 ( 2.846 0.000 -7.401) 7.929 14.198 ( 11.641 0.000 -10.774) 15.862 15.119 ( 27.309 0.000 5.849) 27.929 15.257 ( 12.524 0.000 -4.869) 13.437 16.877 ( 0.587 0.000 -2.942) 3.000 16.943 ( -3.154 0.000 -5.853) 6.649 18.971 ( -2.806 0.000 14.646) 14.912 19.215 ( -6.340 0.000 3.064) 7.042 21.078 ( -16.138 0.000 -2.005) 16.262 21.701 ( -10.648 0.000 -12.531) 16.444 37.440 ( 14.532 0.000 3.173) 14.875 38.421 ( 11.637 0.000 -17.482) 21.001 41.644 ( 3.505 0.000 14.718) 15.130 43.124 ( -12.383 0.000 -9.233) 15.446 55.840 ( -54.914 0.000 26.528) 60.986 56.656 ( -42.610 0.000 -1.381) 42.632 ======================= Grid point 746 (216/420) ======================= q-point: ( 0.28 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.639 ( 36.074 0.000 31.314) 47.770 6.878 ( 45.145 0.000 28.194) 53.226 8.871 ( 25.207 0.000 -2.003) 25.287 9.518 ( 4.869 0.000 -12.677) 13.579 10.978 ( 53.931 0.000 26.620) 60.143 11.919 ( -5.271 0.000 0.595) 5.304 12.117 ( -2.996 0.000 10.554) 10.971 13.031 ( 28.816 0.000 -12.655) 31.472 13.121 ( 3.195 0.000 -11.317) 11.759 14.390 ( 12.829 0.000 -16.223) 20.682 15.669 ( 27.784 0.000 4.894) 28.212 15.682 ( 28.723 0.000 7.361) 29.651 16.819 ( -6.164 0.000 -5.998) 8.600 16.835 ( -7.356 0.000 -3.684) 8.227 18.920 ( -1.726 0.000 15.804) 15.898 19.082 ( -7.465 0.000 11.706) 13.884 20.756 ( -16.453 0.000 -4.148) 16.968 21.465 ( -13.729 0.000 -12.021) 18.248 37.728 ( 14.701 0.000 1.626) 14.791 38.610 ( 7.645 0.000 -15.715) 17.476 41.721 ( 4.284 0.000 12.868) 13.563 42.889 ( -11.540 0.000 -7.352) 13.683 54.897 ( -41.683 0.000 21.081) 46.710 55.819 ( -42.195 0.000 -3.300) 42.323 ======================= Grid point 747 (217/420) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.341 ( 35.494 0.000 25.466) 43.685 7.745 ( 42.877 0.000 22.912) 48.614 9.339 ( 22.231 0.000 -2.282) 22.348 9.586 ( 2.295 0.000 -5.615) 6.066 11.443 ( -3.631 0.000 4.206) 5.556 11.727 ( -12.718 0.000 -2.078) 12.887 12.560 ( 41.888 0.000 21.238) 46.964 13.208 ( 8.403 0.000 -10.848) 13.721 13.331 ( 2.539 0.000 -25.258) 25.386 14.807 ( 26.802 0.000 -8.738) 28.191 16.154 ( 19.549 0.000 2.130) 19.664 16.301 ( 31.741 0.000 12.457) 34.098 16.669 ( -6.711 0.000 -10.773) 12.692 16.700 ( -3.856 0.000 1.501) 4.138 18.918 ( 1.595 0.000 14.033) 14.124 18.918 ( -9.182 0.000 18.979) 21.083 20.446 ( -14.950 0.000 -5.696) 15.999 21.156 ( -17.917 0.000 -10.337) 20.685 38.007 ( 13.671 0.000 -0.285) 13.674 38.720 ( 3.690 0.000 -13.494) 13.989 41.812 ( 5.008 0.000 10.825) 11.927 42.674 ( -10.397 0.000 -5.196) 11.623 54.206 ( -29.042 0.000 15.204) 32.781 55.032 ( -37.651 0.000 -3.947) 37.857 ======================= Grid point 748 (218/420) ======================= q-point: ( 0.39 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.015 ( 33.009 0.000 21.877) 39.600 8.528 ( 36.243 0.000 19.442) 41.128 9.608 ( -0.095 0.000 0.960) 0.964 9.716 ( 15.536 0.000 -0.887) 15.561 11.262 ( -10.962 0.000 -4.227) 11.749 11.456 ( -14.279 0.000 -7.605) 16.178 13.013 ( 4.483 0.000 -9.864) 10.835 13.264 ( -6.719 0.000 -26.504) 27.342 13.743 ( 42.108 0.000 16.021) 45.053 15.246 ( 14.633 0.000 -2.489) 14.843 16.315 ( -0.944 0.000 -3.108) 3.249 16.438 ( -6.614 0.000 -4.570) 8.039 16.826 ( 15.315 0.000 8.730) 17.628 17.029 ( 31.262 0.000 2.284) 31.345 18.745 ( -7.125 0.000 23.332) 24.396 18.977 ( 4.089 0.000 11.337) 12.052 20.180 ( -11.952 0.000 -6.027) 13.385 20.765 ( -21.945 0.000 -7.982) 23.352 38.257 ( 11.795 0.000 -2.433) 12.043 38.756 ( -0.047 0.000 -11.261) 11.261 41.916 ( 5.688 0.000 8.569) 10.285 42.483 ( -9.184 0.000 -2.590) 9.542 53.760 ( -16.527 0.000 9.878) 19.254 54.367 ( -29.876 0.000 -3.279) 30.056 ======================= Grid point 749 (219/420) ======================= q-point: ( 0.44 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.612 ( 27.426 0.000 20.792) 34.416 9.085 ( 16.342 0.000 20.719) 26.388 9.612 ( 3.506 0.000 2.885) 4.540 9.907 ( 2.898 0.000 1.572) 3.297 11.082 ( -6.256 0.000 -10.587) 12.297 11.199 ( -11.132 0.000 -12.790) 16.956 13.030 ( -0.385 0.000 -17.310) 17.314 13.129 ( -6.229 0.000 -24.056) 24.850 14.511 ( 33.985 0.000 15.825) 37.489 15.322 ( -6.366 0.000 4.343) 7.706 16.292 ( 0.232 0.000 -3.539) 3.547 16.356 ( -1.961 0.000 -6.965) 7.236 17.145 ( 15.749 0.000 9.549) 18.417 17.463 ( 9.218 0.000 4.308) 10.175 18.738 ( 8.528 0.000 20.892) 22.566 19.049 ( 1.914 0.000 10.008) 10.190 19.995 ( -6.201 0.000 -5.448) 8.254 20.323 ( -21.910 0.000 -5.736) 22.648 38.465 ( 9.376 0.000 -4.675) 10.477 38.721 ( -3.482 0.000 -9.085) 9.730 42.034 ( 6.370 0.000 6.055) 8.788 42.314 ( -8.067 0.000 0.321) 8.074 53.560 ( -4.008 0.000 5.291) 6.637 53.878 ( -19.801 0.000 -1.410) 19.851 ======================= Grid point 750 (220/420) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.049 ( -15.260 0.000 21.566) 26.419 9.049 ( 15.260 0.000 21.566) 26.419 9.812 ( -6.977 0.000 2.836) 7.531 9.812 ( 6.977 0.000 2.836) 7.531 11.051 ( -1.804 0.000 -14.256) 14.370 11.051 ( 1.804 0.000 -14.256) 14.370 13.043 ( -0.163 0.000 -20.847) 20.848 13.043 ( 0.163 0.000 -20.847) 20.848 15.047 ( -14.977 0.000 10.335) 18.197 15.047 ( 14.977 0.000 10.335) 18.197 16.322 ( -0.370 0.000 -5.263) 5.276 16.322 ( 0.370 0.000 -5.263) 5.276 17.413 ( -2.490 0.000 8.891) 9.233 17.413 ( 2.490 0.000 8.891) 9.233 18.979 ( -9.450 0.000 12.922) 16.009 18.979 ( 9.450 0.000 12.922) 16.009 19.999 ( -8.402 0.000 -4.989) 9.772 19.999 ( 8.402 0.000 -4.989) 9.772 38.622 ( -2.889 0.000 -6.904) 7.484 38.622 ( 2.889 0.000 -6.904) 7.484 42.166 ( -6.295 0.000 3.274) 7.096 42.166 ( 6.295 0.000 3.274) 7.096 53.602 ( -5.091 0.000 1.496) 5.307 53.602 ( 5.091 0.000 1.496) 5.307 ======================= Grid point 760 (221/420) ======================= q-point: ( 0.00 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 0.000 18.407 50.791) 54.023 4.070 ( 0.000 7.560 60.716) 61.185 6.288 ( 0.000 42.001 77.830) 88.440 7.479 ( 0.000 0.103 -25.939) 25.939 8.330 ( 0.000 -3.581 -10.075) 10.692 10.826 ( 0.000 27.559 -10.357) 29.441 12.003 ( 0.000 -5.738 4.249) 7.140 12.135 ( 0.000 0.156 2.980) 2.984 12.810 ( 0.000 -27.594 8.781) 28.957 13.388 ( 0.000 -1.790 8.605) 8.789 15.265 ( 0.000 1.732 5.147) 5.431 15.653 ( 0.000 -14.203 1.914) 14.332 15.960 ( 0.000 -1.278 -6.456) 6.581 16.625 ( 0.000 21.238 -15.637) 26.374 18.685 ( 0.000 -6.402 3.218) 7.165 19.792 ( 0.000 20.664 -12.162) 23.978 21.633 ( 0.000 -14.325 8.661) 16.740 22.371 ( 0.000 9.763 -17.111) 19.700 36.760 ( 0.000 1.433 5.291) 5.482 37.436 ( 0.000 -0.764 -6.223) 6.270 41.658 ( 0.000 13.567 10.381) 17.083 43.785 ( 0.000 -6.376 -18.752) 19.806 58.107 ( 0.000 -34.228 26.664) 43.388 61.488 ( 0.000 68.319 -58.807) 90.143 ======================= Grid point 761 (222/420) ======================= q-point: ( 0.06 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.928 ( 32.772 16.881 47.436) 60.076 4.221 ( 16.028 8.198 57.200) 59.966 6.434 ( 15.788 38.205 72.834) 83.748 7.747 ( 26.148 0.272 -26.111) 36.954 8.334 ( 1.251 -1.255 -7.560) 7.765 10.788 ( -2.425 23.281 -8.056) 24.754 12.089 ( 6.565 -7.133 5.208) 11.004 12.250 ( 11.035 -0.318 1.427) 11.131 12.874 ( 6.602 -22.245 6.935) 24.218 13.387 ( 0.293 -3.185 9.506) 10.030 14.972 ( -20.108 7.933 10.046) 23.836 15.596 ( -7.649 -5.506 -8.758) 12.866 16.154 ( 15.309 -7.170 -1.704) 16.991 16.744 ( 9.652 13.916 -13.872) 21.891 18.732 ( 4.423 -7.082 3.364) 9.002 19.757 ( -3.544 19.607 -11.109) 22.812 21.571 ( -6.213 -15.065 8.233) 18.258 22.312 ( -5.660 8.965 -16.183) 19.347 36.814 ( 5.391 1.590 5.202) 7.659 37.545 ( 10.485 -1.734 -8.454) 13.580 41.661 ( 0.273 13.046 10.527) 16.766 43.721 ( -6.327 -5.897 -17.354) 19.390 57.927 ( -18.207 -32.926 26.779) 46.181 60.910 ( -54.310 69.498 -43.385) 98.294 ======================= Grid point 762 (223/420) ======================= q-point: ( 0.11 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.556 ( 29.480 8.419 48.131) 57.066 4.777 ( 38.072 16.821 45.510) 61.673 6.944 ( 36.222 26.343 55.568) 71.371 8.389 ( 27.885 0.626 -20.981) 34.902 8.456 ( 21.443 4.337 -5.930) 22.666 10.806 ( 6.294 15.099 -3.908) 16.819 12.187 ( 2.743 -13.133 7.689) 15.463 12.488 ( 10.577 -1.145 -0.147) 10.639 13.016 ( 4.645 -6.930 2.235) 8.637 13.469 ( 11.366 -6.796 11.280) 17.396 14.688 ( -6.224 12.955 11.203) 18.223 15.418 ( -9.278 1.983 -14.665) 17.466 16.440 ( 12.924 -10.587 0.235) 16.708 16.913 ( 6.456 5.390 -11.345) 14.122 18.834 ( 5.298 -7.304 4.731) 10.188 19.656 ( -6.698 16.770 -8.020) 19.759 21.397 ( -11.371 -17.014 6.809) 21.567 22.167 ( -8.799 7.142 -14.597) 18.480 36.966 ( 9.925 1.950 4.927) 11.251 37.809 ( 15.457 -3.331 -12.429) 20.112 41.670 ( 0.707 11.613 10.830) 15.895 43.553 ( -10.395 -4.817 -14.356) 18.367 57.408 ( -34.289 -27.481 27.268) 51.716 59.623 ( -71.062 66.694 -19.625) 99.413 ======================= Grid point 763 (224/420) ======================= q-point: ( 0.17 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.199 ( 36.517 5.517 41.096) 55.252 5.499 ( 35.150 19.087 42.330) 58.238 7.731 ( 38.663 9.861 24.746) 46.952 8.842 ( 33.597 6.179 9.648) 35.497 9.127 ( 31.902 8.511 -18.243) 37.723 11.104 ( 24.838 4.063 -2.029) 25.250 12.211 ( 0.865 -14.711 9.141) 17.341 12.567 ( -3.524 -3.142 1.023) 4.831 13.045 ( 1.167 3.681 0.756) 3.935 13.837 ( 22.982 -4.232 5.199) 23.940 14.769 ( 13.728 9.718 8.420) 18.810 15.270 ( -4.757 5.533 -14.712) 16.422 16.637 ( 6.729 -12.903 0.509) 14.561 16.986 ( 1.381 1.481 -9.090) 9.313 18.916 ( 2.561 -5.300 7.640) 9.645 19.505 ( -8.320 13.286 -2.920) 15.946 21.138 ( -14.767 -19.296 4.297) 24.675 21.979 ( -10.231 5.170 -13.518) 17.723 37.193 ( 13.097 2.359 4.379) 14.010 38.115 ( 15.234 -3.835 -14.650) 21.480 41.690 ( 1.361 9.586 11.005) 14.658 43.331 ( -11.966 -3.706 -11.549) 17.038 56.625 ( -44.250 -15.714 27.231) 54.281 58.287 ( -63.843 54.262 -8.750) 84.243 ======================= Grid point 764 (225/420) ======================= q-point: ( 0.22 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.959 ( 40.169 4.309 34.412) 53.069 6.182 ( 35.719 15.560 36.627) 53.474 8.349 ( 26.269 0.133 2.857) 26.424 9.410 ( 15.216 3.897 -16.878) 23.056 9.946 ( 57.650 15.666 26.386) 65.308 11.633 ( 20.399 -10.368 -2.024) 22.972 12.262 ( -0.485 -4.633 4.590) 6.540 12.476 ( 6.418 -6.155 2.637) 9.275 13.094 ( 3.834 5.803 -3.897) 7.972 14.241 ( 15.698 2.160 -6.478) 17.119 15.153 ( 22.909 4.041 5.082) 23.811 15.307 ( 11.462 4.283 -3.915) 12.847 16.684 ( -2.020 -15.440 -0.435) 15.578 16.985 ( -1.316 1.256 -7.651) 7.864 18.920 ( -2.252 -3.516 9.698) 10.558 19.353 ( -6.660 11.445 4.761) 14.072 20.832 ( -16.259 -20.800 0.986) 26.419 21.766 ( -11.735 3.515 -12.616) 17.586 37.467 ( 14.684 2.719 3.458) 15.329 38.388 ( 12.458 -2.964 -14.622) 19.437 41.724 ( 2.190 7.332 10.824) 13.255 43.095 ( -11.978 -2.816 -9.400) 15.484 55.744 ( -44.314 -2.446 24.518) 50.704 57.135 ( -54.473 39.035 -6.503) 67.330 ======================= Grid point 765 (226/420) ======================= q-point: ( 0.28 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.720 ( 36.883 7.060 30.285) 48.243 6.931 ( 40.919 6.311 28.410) 50.213 8.827 ( 23.200 -3.812 -1.306) 23.547 9.589 ( 5.529 6.484 -13.081) 15.611 11.069 ( 47.125 7.920 22.304) 52.735 11.815 ( 5.657 -8.988 4.286) 11.452 12.091 ( -7.194 -2.874 5.138) 9.296 12.871 ( 15.412 -8.861 -8.467) 19.692 13.276 ( 18.232 8.661 -10.479) 22.742 14.455 ( 9.930 5.226 -13.311) 17.410 15.593 ( 23.240 -4.330 4.423) 24.050 15.737 ( 27.613 2.126 6.902) 28.542 16.591 ( -5.701 -14.916 -0.495) 15.976 16.925 ( -5.182 2.416 -8.008) 9.840 18.841 ( -5.026 -4.980 10.450) 12.621 19.250 ( -4.297 12.924 13.091) 18.891 20.515 ( -15.805 -20.819 -2.513) 26.259 21.513 ( -14.268 2.507 -11.313) 18.381 37.757 ( 14.725 2.921 2.132) 15.162 38.597 ( 8.823 -1.165 -13.269) 15.978 41.776 ( 3.106 5.148 10.188) 11.830 42.867 ( -11.229 -2.139 -7.452) 13.645 54.939 ( -37.162 6.340 19.587) 42.484 56.141 ( -47.307 28.898 -6.178) 55.779 ======================= Grid point 766 (227/420) ======================= q-point: ( 0.33 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.412 ( 34.250 6.776 25.753) 43.385 7.744 ( 41.097 0.257 22.722) 46.961 9.249 ( 19.087 -7.145 -0.369) 20.384 9.670 ( 3.413 6.675 -6.965) 10.233 11.387 ( -4.778 -5.945 1.668) 7.807 11.729 ( -12.464 -0.051 -3.485) 12.942 12.565 ( 38.297 1.344 18.954) 42.752 13.043 ( 12.755 -7.251 -7.523) 16.488 13.571 ( 6.084 13.426 -22.181) 26.632 14.771 ( 21.787 -3.628 -5.858) 22.851 15.970 ( 10.904 -14.675 2.914) 18.513 16.264 ( 23.109 -6.354 9.305) 25.710 16.602 ( 12.093 -2.143 -2.516) 12.536 16.787 ( -7.149 4.189 -5.463) 9.925 18.752 ( -3.777 -6.390 13.278) 15.212 19.169 ( -4.026 14.082 16.539) 22.092 20.226 ( -13.391 -18.876 -5.150) 23.710 21.201 ( -17.784 2.398 -9.473) 20.292 38.035 ( 13.440 2.797 0.448) 13.735 38.733 ( 5.056 1.122 -11.402) 12.523 41.846 ( 4.029 3.219 9.083) 10.445 42.658 ( -10.129 -1.590 -5.236) 11.513 54.309 ( -26.923 11.104 14.179) 32.391 55.287 ( -39.816 23.790 -5.588) 46.718 ======================= Grid point 767 (228/420) ======================= q-point: ( 0.39 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.059 ( 31.627 4.231 22.147) 38.842 8.503 ( 35.573 -2.430 19.464) 40.622 9.510 ( 5.647 -7.620 3.949) 10.274 9.761 ( 6.836 2.705 -2.812) 7.872 11.219 ( -9.665 -4.143 -4.742) 11.535 11.480 ( -12.415 2.087 -7.401) 14.604 12.824 ( -0.719 -9.551 -11.173) 14.717 13.528 ( -0.682 16.306 -23.143) 28.319 13.750 ( 38.881 0.504 14.472) 41.490 15.145 ( 12.869 -10.841 1.049) 16.860 16.046 ( 1.905 -16.027 -0.439) 16.146 16.523 ( -5.744 -10.183 -9.042) 14.780 16.670 ( 11.702 -0.301 7.246) 13.767 17.140 ( 30.272 5.578 3.327) 30.961 18.693 ( -2.047 -3.107 18.764) 19.130 19.103 ( -2.362 9.419 13.486) 16.618 20.003 ( -9.066 -14.271 -5.801) 17.875 20.818 ( -21.220 3.212 -7.319) 22.675 38.276 ( 11.040 2.074 -1.486) 11.331 38.797 ( 1.573 3.710 -9.412) 10.238 41.933 ( 4.900 1.617 7.510) 9.111 42.472 ( -8.892 -1.066 -2.629) 9.333 53.893 ( -15.531 13.641 9.113) 22.590 54.595 ( -30.675 21.558 -4.186) 37.725 ======================= Grid point 768 (229/420) ======================= q-point: ( 0.44 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.633 ( 26.559 1.980 20.655) 33.703 9.075 ( 19.446 -1.517 20.305) 28.156 9.511 ( -1.796 -8.523 5.388) 10.242 9.871 ( 1.999 -3.763 1.006) 4.379 11.070 ( -4.579 -0.673 -9.705) 10.753 11.259 ( -9.664 4.795 -11.678) 15.899 12.777 ( -2.766 -11.394 -15.736) 19.624 13.439 ( -4.624 17.293 -25.206) 30.916 14.456 ( 28.485 -7.249 13.494) 32.342 15.246 ( -1.034 -7.914 7.533) 10.975 16.117 ( 4.476 -10.187 -1.693) 11.255 16.371 ( -6.378 -7.307 -11.015) 14.677 16.903 ( 8.941 -12.366 11.367) 19.028 17.633 ( 16.908 8.521 1.286) 18.978 18.720 ( 6.472 -0.973 20.174) 21.209 19.062 ( -3.210 -0.126 10.211) 10.705 19.898 ( -0.506 -6.059 -5.009) 7.878 20.389 ( -21.697 4.322 -5.378) 22.767 38.458 ( 7.215 0.298 -3.484) 8.018 38.801 ( -0.856 6.733 -7.461) 10.086 42.036 ( 5.614 0.254 5.474) 7.845 42.311 ( -7.564 -0.383 0.194) 7.577 53.702 ( -4.260 14.630 4.580) 15.911 54.101 ( -19.375 21.008 -1.852) 28.638 ======================= Grid point 769 (230/420) ======================= q-point: (-0.50 0.08 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.034 ( 0.000 0.408 23.326) 23.330 9.101 ( -0.000 2.960 19.013) 19.241 9.566 ( 0.000 -15.891 4.804) 16.602 9.852 ( -0.000 -3.167 2.846) 4.258 11.041 ( 0.000 1.121 -11.297) 11.352 11.144 ( 0.000 6.020 -14.188) 15.412 12.746 ( 0.000 -11.719 -16.843) 20.519 13.389 ( 0.000 17.032 -24.675) 29.983 14.768 ( 0.000 -19.220 7.468) 20.619 15.201 ( 0.000 4.350 12.969) 13.679 16.174 ( 0.000 -7.849 -1.538) 7.999 16.301 ( 0.000 -10.023 -10.479) 14.500 16.993 ( 0.000 -16.353 12.182) 20.392 17.782 ( 0.000 13.806 2.920) 14.112 18.896 ( 0.000 -4.283 12.148) 12.881 18.950 ( 0.000 -5.507 14.450) 15.464 20.024 ( -0.000 3.637 -5.575) 6.656 20.027 ( 0.000 1.294 -3.535) 3.764 38.535 ( 0.000 -1.625 -4.687) 4.961 38.785 ( 0.000 9.093 -6.291) 11.058 42.129 ( 0.000 -1.682 3.399) 3.792 42.199 ( -0.000 1.322 2.567) 2.888 53.687 ( 0.000 13.626 1.451) 13.703 53.884 ( 0.000 22.205 0.549) 22.212 ======================= Grid point 779 (231/420) ======================= q-point: ( 0.00 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.063 ( 0.000 30.444 42.302) 52.118 4.408 ( 0.000 27.014 48.609) 55.612 7.224 ( 0.000 45.182 56.007) 71.960 7.475 ( 0.000 -0.793 -21.889) 21.904 8.415 ( 0.000 15.056 0.420) 15.061 11.406 ( 0.000 23.955 -8.783) 25.514 11.872 ( 0.000 -7.103 3.482) 7.911 12.108 ( 0.000 -2.774 1.461) 3.135 12.305 ( 0.000 -16.801 8.294) 18.736 13.287 ( 0.000 -6.764 7.318) 9.965 15.313 ( 0.000 3.009 4.665) 5.551 15.435 ( 0.000 -9.189 9.616) 13.301 15.924 ( 0.000 -2.293 -5.622) 6.072 16.823 ( 0.000 -1.997 -17.744) 17.856 18.662 ( 0.000 5.197 5.178) 7.336 20.152 ( 0.000 12.056 -5.794) 13.376 21.344 ( 0.000 -13.681 12.721) 18.681 22.537 ( 0.000 6.717 -23.678) 24.612 36.802 ( 0.000 2.640 4.845) 5.517 37.414 ( 0.000 -1.482 -5.589) 5.782 41.956 ( 0.000 14.651 -2.935) 14.942 43.614 ( 0.000 -10.340 -17.584) 20.399 57.726 ( 0.000 -3.533 30.338) 30.543 62.580 ( 0.000 35.930 -86.329) 93.508 ======================= Grid point 780 (232/420) ======================= q-point: ( 0.06 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.403 ( 30.480 29.637 39.378) 57.948 4.543 ( 15.160 24.720 46.799) 55.055 7.280 ( 6.754 39.581 49.453) 63.702 7.748 ( 26.272 0.192 -20.336) 33.224 8.461 ( 5.248 16.760 3.452) 17.899 11.278 ( -9.249 21.079 -7.464) 24.199 11.884 ( -0.876 -13.492 7.010) 15.230 12.198 ( 10.605 -4.593 -0.178) 11.559 12.546 ( 20.387 -6.066 4.426) 21.726 13.265 ( -1.658 -7.459 7.831) 10.941 15.121 ( -12.240 5.799 8.808) 16.156 15.489 ( 0.299 -4.809 1.423) 5.024 16.028 ( 9.168 -5.831 -2.129) 11.071 16.861 ( 3.363 -3.345 -16.739) 17.398 18.693 ( 3.073 4.137 5.194) 7.317 20.103 ( -4.975 12.017 -5.460) 14.106 21.265 ( -7.969 -14.591 12.569) 20.842 22.458 ( -7.653 5.502 -22.011) 23.944 36.859 ( 5.764 2.854 4.839) 8.049 37.503 ( 8.764 -2.336 -6.458) 11.135 41.949 ( -0.681 14.283 -2.335) 14.489 43.561 ( -5.235 -9.723 -16.635) 19.967 57.579 ( -14.787 -2.096 29.633) 33.184 62.051 ( -50.869 39.935 -73.517) 97.914 ======================= Grid point 781 (233/420) ======================= q-point: ( 0.11 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.877 ( 24.122 23.421 40.558) 52.681 5.207 ( 41.899 25.924 37.402) 61.859 7.520 ( 18.046 26.460 34.197) 46.853 8.400 ( 35.676 -0.102 -21.519) 41.664 8.682 ( 21.098 20.673 12.821) 32.200 11.149 ( -2.465 16.686 -5.713) 17.808 11.859 ( -0.980 -18.177 7.811) 19.809 12.423 ( 9.052 -3.833 0.140) 9.831 12.964 ( 17.529 1.526 -2.859) 17.826 13.299 ( 9.900 -9.008 11.932) 17.931 14.940 ( -4.698 10.472 9.618) 14.975 15.452 ( -3.194 1.224 -4.377) 5.555 16.215 ( 8.644 -11.569 1.314) 14.501 16.929 ( 3.074 -4.423 -14.595) 15.557 18.772 ( 4.612 1.670 5.305) 7.225 19.964 ( -8.991 11.900 -4.319) 15.527 21.042 ( -14.373 -17.217 11.871) 25.376 22.264 ( -11.469 2.614 -18.477) 21.903 37.020 ( 10.486 3.409 4.807) 12.028 37.734 ( 14.094 -3.876 -8.101) 16.712 41.931 ( -1.044 13.199 -0.756) 13.262 43.420 ( -8.890 -8.248 -14.431) 18.850 57.165 ( -26.955 2.053 27.631) 38.656 60.781 ( -73.934 45.346 -48.716) 99.478 ======================= Grid point 782 (234/420) ======================= q-point: ( 0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.432 ( 32.303 17.552 35.220) 50.911 5.968 ( 35.002 27.366 36.406) 57.441 7.939 ( 22.543 9.683 12.118) 27.364 9.004 ( 30.072 6.898 -6.963) 31.629 9.377 ( 43.836 18.073 9.938) 48.446 11.217 ( 9.330 6.947 -4.597) 12.507 11.876 ( 4.111 -18.266 6.847) 19.936 12.466 ( -4.330 -4.127 0.966) 6.059 13.164 ( 6.765 6.089 -1.909) 9.300 13.715 ( 26.987 -7.060 7.762) 28.955 14.979 ( 8.985 9.337 8.047) 15.253 15.392 ( -2.144 6.287 -5.912) 8.892 16.332 ( 2.840 -16.656 2.851) 17.136 16.973 ( 1.527 -2.950 -12.667) 13.095 18.851 ( 2.697 -1.076 5.408) 6.138 19.770 ( -10.084 11.929 -1.685) 15.710 20.724 ( -17.621 -20.607 10.057) 28.919 22.028 ( -12.462 -0.350 -15.113) 19.592 37.259 ( 13.679 4.116 4.645) 15.021 38.028 ( 15.423 -4.494 -9.050) 18.438 41.911 ( -0.911 11.487 1.269) 11.593 43.227 ( -10.599 -6.592 -12.044) 17.345 56.557 ( -34.260 8.184 24.543) 42.932 59.316 ( -73.317 45.127 -29.552) 91.023 ======================= Grid point 783 (235/420) ======================= q-point: ( 0.22 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.118 ( 37.154 11.486 30.444) 49.388 6.596 ( 30.253 25.371 33.935) 52.063 8.356 ( 20.303 0.681 1.166) 20.348 9.513 ( 18.677 5.397 -13.854) 23.872 10.327 ( 53.186 20.670 21.910) 61.123 11.409 ( 6.967 -10.204 -1.524) 12.449 12.077 ( 11.738 -14.160 -2.854) 18.613 12.363 ( 1.294 -2.514 5.489) 6.175 13.273 ( 5.167 10.178 -1.937) 11.578 14.217 ( 22.170 -4.822 0.268) 22.690 15.248 ( 15.019 2.643 2.808) 15.506 15.424 ( 8.725 8.477 1.113) 12.216 16.326 ( -2.787 -18.829 3.466) 19.347 16.986 ( -0.491 -1.259 -12.038) 12.114 18.849 ( -3.325 -3.791 5.155) 7.211 19.604 ( -6.171 12.661 3.407) 14.491 20.375 ( -17.523 -22.827 6.685) 29.543 21.779 ( -13.117 -2.358 -12.408) 18.209 37.544 ( 15.153 4.795 4.221) 16.444 38.319 ( 14.065 -3.624 -8.866) 17.017 41.899 ( -0.289 9.328 3.169) 9.856 43.015 ( -10.894 -5.146 -9.874) 15.578 55.864 ( -35.523 14.780 20.602) 43.643 57.968 ( -63.888 40.832 -18.980) 78.161 ======================= Grid point 784 (236/420) ======================= q-point: ( 0.28 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.858 ( 37.688 6.556 27.321) 47.008 7.185 ( 30.554 19.100 28.622) 46.017 8.743 ( 19.223 -4.198 -0.135) 19.676 9.745 ( 6.675 8.320 -11.606) 15.764 11.194 ( 17.499 1.471 5.282) 18.338 11.634 ( 27.114 -7.450 10.087) 29.874 12.053 ( -0.030 1.433 4.109) 4.351 12.686 ( 16.738 -10.707 -1.874) 19.958 13.448 ( 15.118 8.917 -6.856) 18.843 14.523 ( 9.466 -0.050 -6.424) 11.440 15.483 ( 11.116 -8.066 2.171) 13.905 15.770 ( 20.767 1.910 7.719) 22.237 16.295 ( 3.077 -12.790 3.573) 13.632 16.940 ( -4.373 -0.978 -12.546) 13.322 18.743 ( -6.137 -4.971 6.248) 10.070 19.521 ( -3.427 12.836 9.189) 16.154 20.058 ( -14.286 -22.028 1.864) 26.321 21.509 ( -14.615 -3.129 -10.069) 18.021 37.841 ( 14.921 5.283 3.462) 16.203 38.569 ( 11.312 -1.544 -7.860) 13.861 41.902 ( 0.694 6.963 4.537) 8.339 42.806 ( -10.370 -3.972 -7.721) 13.525 55.203 ( -31.295 20.334 16.172) 40.674 56.823 ( -53.249 36.441 -13.380) 65.897 ======================= Grid point 785 (237/420) ======================= q-point: ( 0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.557 ( 33.121 5.160 25.329) 42.014 7.809 ( 33.350 8.861 22.795) 41.356 9.095 ( 16.153 -7.865 2.220) 18.103 9.818 ( 1.455 7.917 -6.583) 10.399 11.214 ( -4.960 -10.377 -2.262) 11.721 11.715 ( -9.098 -1.230 -6.492) 11.244 12.646 ( 27.385 6.476 14.513) 31.662 12.910 ( 21.716 -8.197 1.495) 23.260 13.772 ( 12.309 6.131 -16.962) 21.836 14.671 ( 7.711 -5.863 -1.302) 9.774 15.640 ( 4.913 -17.683 2.484) 18.520 16.086 ( 10.942 -9.975 6.279) 16.083 16.563 ( 20.695 -2.178 -0.031) 20.810 16.851 ( -0.963 1.956 -8.296) 8.577 18.656 ( -2.166 -3.375 9.264) 10.095 19.417 ( -8.144 6.993 11.929) 16.048 19.847 ( -6.667 -13.714 -1.907) 15.368 21.201 ( -17.029 -2.641 -7.883) 18.949 38.117 ( 13.156 5.410 2.381) 14.422 38.758 ( 7.974 1.234 -6.443) 10.326 41.927 ( 1.868 4.628 5.168) 7.185 42.612 ( -9.383 -2.992 -5.336) 11.201 54.665 ( -23.331 24.331 11.661) 35.670 55.884 ( -42.751 33.744 -9.741) 55.328 ======================= Grid point 786 (238/420) ======================= q-point: ( 0.39 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.154 ( 28.250 3.502 21.692) 35.789 8.460 ( 32.015 0.147 20.314) 37.916 9.338 ( 7.487 -9.339 6.959) 13.846 9.816 ( -1.422 3.102 -1.954) 3.933 11.109 ( -4.765 -6.386 -5.014) 9.414 11.529 ( -9.398 2.810 -7.260) 12.203 12.717 ( -3.440 -1.731 -8.996) 9.785 13.628 ( 31.435 -8.898 9.129) 33.922 13.870 ( 1.653 11.068 -18.129) 21.305 14.824 ( 7.337 -19.387 7.091) 21.908 15.760 ( 8.335 -13.199 0.735) 15.628 16.169 ( -2.575 -19.289 -1.663) 19.532 16.739 ( 3.849 3.176 -3.889) 6.326 17.203 ( 28.361 0.862 1.430) 28.411 18.660 ( 2.235 0.019 13.084) 13.274 19.216 ( -11.317 -1.501 9.619) 14.928 19.788 ( 0.127 -2.783 -1.567) 3.196 20.842 ( -19.536 -0.987 -5.868) 20.422 38.346 ( 10.043 5.027 1.085) 11.283 38.881 ( 4.631 4.219 -4.915) 7.962 41.976 ( 3.059 2.497 4.987) 6.361 42.441 ( -8.111 -2.076 -2.717) 8.803 54.303 ( -13.460 26.970 7.295) 31.012 55.154 ( -31.833 32.581 -6.583) 46.024 ======================= Grid point 787 (239/420) ======================= q-point: ( 0.44 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.666 ( 24.041 -0.177 18.126) 30.109 9.012 ( 22.830 -3.649 20.152) 30.669 9.347 ( -6.651 -7.157 11.164) 14.836 9.772 ( -3.101 -5.179 2.528) 6.544 11.059 ( -0.061 -0.513 -7.539) 7.556 11.356 ( -8.045 4.559 -8.855) 12.803 12.645 ( -3.188 -1.727 -13.689) 14.161 13.750 ( -3.822 12.785 -25.123) 28.447 14.145 ( 12.771 -23.717 8.388) 28.213 14.978 ( 8.224 -20.938 11.444) 25.239 15.925 ( 6.916 -10.223 -0.097) 12.343 16.077 ( -4.364 -15.661 -4.934) 16.990 16.819 ( 3.133 1.792 2.994) 4.689 17.706 ( 20.444 -1.337 -3.641) 20.808 18.725 ( 4.085 1.248 16.321) 16.871 19.007 ( -9.554 -4.107 9.270) 13.931 19.853 ( 6.973 1.846 -1.944) 7.471 20.449 ( -20.041 1.553 -4.232) 20.542 38.502 ( 5.615 4.213 -0.150) 7.021 38.943 ( 1.870 6.819 -3.571) 7.922 42.045 ( 3.903 0.607 4.003) 5.623 42.297 ( -6.418 -1.021 -0.104) 6.500 54.138 ( -3.706 28.437 3.159) 28.851 54.649 ( -19.308 32.304 -3.317) 37.780 ======================= Grid point 788 (240/420) ======================= q-point: (-0.50 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.064 ( 0.000 2.384 24.634) 24.749 9.094 ( -0.000 -9.424 6.214) 11.289 9.292 ( 0.000 -4.868 19.251) 19.856 9.717 ( 0.000 -9.472 4.350) 10.423 11.077 ( 0.000 2.281 -8.141) 8.454 11.256 ( 0.000 4.691 -10.105) 11.141 12.611 ( 0.000 -1.396 -15.508) 15.571 13.704 ( 0.000 14.329 -25.173) 28.965 14.255 ( 0.000 -31.752 5.474) 32.221 15.074 ( 0.000 -21.949 11.982) 25.007 15.991 ( 0.000 -14.546 -4.993) 15.379 16.039 ( 0.000 -5.912 0.572) 5.939 16.848 ( 0.000 0.334 4.755) 4.767 17.920 ( 0.000 -0.544 -6.446) 6.469 18.795 ( 0.000 -8.533 12.752) 15.344 18.879 ( 0.000 3.918 15.023) 15.525 20.038 ( -0.000 -0.264 -2.713) 2.726 20.129 ( 0.000 6.152 -3.390) 7.024 38.558 ( 0.000 3.700 -0.718) 3.769 38.960 ( 0.000 7.967 -2.975) 8.504 42.102 ( 0.000 -0.945 2.776) 2.933 42.215 ( 0.000 0.235 1.700) 1.716 54.119 ( 0.000 28.716 0.472) 28.719 54.442 ( 0.000 32.481 -0.937) 32.495 ======================= Grid point 798 (241/420) ======================= q-point: ( 0.00 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.728 ( 0.000 35.297 33.067) 48.367 5.112 ( 0.000 41.858 33.891) 53.858 7.435 ( 0.000 -3.562 -15.622) 16.023 7.845 ( 0.000 16.330 9.636) 18.961 9.029 ( 0.000 44.548 35.465) 56.941 11.418 ( 0.000 -16.953 10.351) 19.864 11.732 ( 0.000 -6.686 1.967) 6.969 12.029 ( 0.000 -5.069 -0.476) 5.091 12.451 ( 0.000 22.133 -11.320) 24.860 13.194 ( 0.000 0.661 11.238) 11.258 15.254 ( 0.000 -9.141 14.323) 16.992 15.380 ( 0.000 3.603 3.960) 5.354 15.872 ( 0.000 -2.869 -4.413) 5.264 16.612 ( 0.000 -16.519 -12.768) 20.878 18.864 ( 0.000 13.347 5.811) 14.557 20.210 ( 0.000 -5.525 1.603) 5.753 21.104 ( 0.000 -10.924 11.114) 15.584 22.648 ( 0.000 4.826 -22.818) 23.322 36.863 ( 0.000 3.422 4.149) 5.378 37.378 ( 0.000 -2.087 -4.634) 5.082 42.210 ( 0.000 10.818 -11.516) 15.800 43.390 ( 0.000 -11.812 -17.493) 21.107 57.921 ( 0.000 21.583 19.845) 29.320 62.869 ( 0.000 -5.643 -87.310) 87.492 ======================= Grid point 799 (242/420) ======================= q-point: ( 0.06 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.040 ( 29.715 33.172 31.760) 54.700 5.201 ( 9.324 39.932 32.691) 52.442 7.644 ( 17.765 -1.374 -9.433) 20.161 7.901 ( 8.621 12.812 2.549) 15.651 9.072 ( 5.032 42.200 34.852) 54.962 11.359 ( -4.349 -13.416 8.981) 16.720 11.713 ( -3.577 -1.465 -0.821) 3.951 12.115 ( 10.956 -3.916 -1.035) 11.681 12.650 ( 16.759 11.348 -6.999) 21.415 13.170 ( -1.581 1.678 11.314) 11.546 15.155 ( -6.830 -3.254 11.552) 13.809 15.434 ( 2.945 0.095 4.677) 5.528 15.921 ( 4.289 -4.866 -2.373) 6.906 16.655 ( 4.183 -15.082 -12.871) 20.264 18.869 ( 0.514 11.945 5.827) 13.301 20.171 ( -3.968 -4.856 1.806) 6.526 21.014 ( -9.183 -10.962 10.824) 17.934 22.545 ( -10.015 3.741 -21.699) 24.190 36.924 ( 6.184 3.621 4.286) 8.350 37.454 ( 7.601 -2.528 -4.751) 9.313 42.198 ( -1.198 10.656 -10.827) 15.239 43.349 ( -4.099 -11.271 -16.820) 20.658 57.793 ( -12.817 22.111 19.347) 32.055 62.439 ( -42.085 -0.189 -78.930) 89.449 ======================= Grid point 800 (243/420) ======================= q-point: ( 0.11 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.458 ( 17.656 33.877 31.317) 49.398 5.782 ( 41.653 30.897 28.539) 59.195 7.882 ( 9.049 10.156 6.837) 15.224 8.374 ( 34.919 -2.674 -16.660) 38.782 9.273 ( 17.262 35.472 33.120) 51.509 11.301 ( -0.724 -7.077 5.852) 9.211 11.622 ( -4.725 0.417 -3.303) 5.780 12.372 ( 11.058 -1.310 1.636) 11.255 12.961 ( 12.039 -6.201 -4.993) 14.433 13.244 ( 13.445 8.197 11.255) 19.355 15.050 ( -2.965 -0.260 9.923) 10.359 15.476 ( 1.700 1.558 2.848) 3.664 16.003 ( 3.334 -8.831 0.956) 9.488 16.760 ( 6.021 -11.271 -13.326) 18.462 18.878 ( 0.142 7.737 5.674) 9.596 20.062 ( -6.813 -2.579 2.539) 7.714 20.754 ( -16.902 -11.225 9.753) 22.512 22.290 ( -15.106 0.644 -18.908) 24.210 37.097 ( 11.204 4.187 4.624) 12.823 37.661 ( 13.059 -3.371 -4.847) 14.332 42.165 ( -2.096 10.143 -8.913) 13.664 43.237 ( -7.193 -9.902 -15.106) 19.442 57.435 ( -23.308 23.642 17.958) 37.745 61.345 ( -66.112 11.089 -60.282) 90.153 ======================= Grid point 801 (244/420) ======================= q-point: ( 0.17 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.876 ( 24.732 26.257 28.545) 45.999 6.554 ( 35.372 30.333 28.194) 54.463 8.100 ( 13.357 6.668 3.233) 15.275 9.053 ( 32.044 -1.390 -12.906) 34.573 9.810 ( 37.519 22.057 25.811) 50.600 11.337 ( 2.558 0.697 -3.028) 4.025 11.569 ( 2.024 -6.971 2.360) 7.633 12.437 ( -3.263 0.937 4.794) 5.875 13.209 ( 14.043 -3.206 -4.530) 15.100 13.633 ( 22.976 1.046 8.851) 24.644 15.065 ( 4.582 -1.707 8.128) 9.485 15.517 ( 3.011 5.655 2.101) 6.743 16.032 ( -0.477 -11.684 3.308) 12.153 16.869 ( 4.618 -7.296 -14.393) 16.784 18.858 ( -2.668 1.160 5.079) 5.853 19.923 ( -6.771 1.883 4.148) 8.161 20.380 ( -20.401 -12.139 7.527) 24.904 21.985 ( -15.585 -3.212 -15.458) 22.185 37.351 ( 14.498 4.985 4.986) 16.121 37.945 ( 15.531 -3.723 -4.518) 16.597 42.120 ( -2.469 9.225 -6.200) 11.386 43.077 ( -8.903 -8.223 -12.918) 17.713 56.909 ( -29.671 25.957 15.917) 42.514 59.982 ( -70.710 20.513 -41.980) 84.752 ======================= Grid point 802 (245/420) ======================= q-point: ( 0.22 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.410 ( 29.465 17.620 26.189) 43.180 7.152 ( 26.626 28.940 27.571) 48.027 8.383 ( 15.004 2.322 1.594) 15.266 9.589 ( 21.923 2.055 -8.914) 23.755 10.646 ( 44.387 6.626 16.220) 47.720 11.306 ( -3.753 2.287 -5.849) 7.317 11.802 ( 18.988 -11.387 2.623) 22.295 12.351 ( -2.739 1.012 7.658) 8.196 13.446 ( 9.817 6.207 -3.971) 12.275 14.083 ( 21.843 -7.096 5.079) 23.522 15.187 ( 5.745 -8.524 6.405) 12.111 15.630 ( 9.439 10.138 3.400) 14.263 16.010 ( -0.221 -11.036 4.269) 11.835 16.919 ( -0.007 -5.917 -15.949) 17.011 18.764 ( -6.566 -4.688 4.800) 9.388 19.813 ( -5.191 6.219 5.494) 9.788 20.000 ( -16.825 -12.271 4.907) 21.395 21.688 ( -14.765 -6.001 -12.028) 19.967 37.652 ( 15.891 5.831 5.196) 17.707 38.252 ( 15.435 -3.111 -3.647) 16.162 42.073 ( -2.231 7.899 -3.261) 8.832 42.896 ( -9.434 -6.613 -10.573) 15.637 56.307 ( -31.037 28.624 13.457) 44.314 58.651 ( -64.317 25.844 -28.649) 75.002 ======================= Grid point 803 (246/420) ======================= q-point: ( 0.28 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.008 ( 31.167 9.099 24.451) 40.645 7.636 ( 23.694 24.368 25.046) 42.220 8.676 ( 14.826 -1.856 3.082) 15.256 9.893 ( 9.427 6.342 -5.809) 12.761 11.099 ( -2.953 -10.260 -5.829) 12.164 11.533 ( 24.678 -1.851 1.738) 24.808 12.159 ( 20.466 4.597 9.183) 22.898 12.452 ( 12.784 -9.833 7.681) 17.864 13.630 ( 10.116 9.004 -4.807) 14.370 14.432 ( 12.588 -8.437 0.222) 15.155 15.238 ( 0.238 -15.632 6.276) 16.847 15.829 ( 7.561 3.029 4.329) 9.224 16.134 ( 15.449 -2.998 3.691) 16.164 16.869 ( -4.140 -6.626 -16.282) 18.059 18.643 ( -4.596 -4.901 5.566) 8.725 19.601 ( -14.828 -7.984 0.940) 16.867 19.848 ( -0.781 4.908 7.279) 8.813 21.402 ( -14.674 -6.947 -8.873) 18.502 37.961 ( 15.417 6.557 5.147) 17.526 38.538 ( 13.575 -1.609 -2.393) 13.878 42.036 ( -1.441 6.248 -0.641) 6.444 42.713 ( -9.148 -5.207 -8.089) 13.275 55.726 ( -27.668 31.124 10.731) 43.004 57.491 ( -54.004 28.623 -19.805) 64.249 ======================= Grid point 804 (247/420) ======================= q-point: ( 0.33 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.607 ( 29.439 1.761 22.704) 37.219 8.099 ( 23.946 17.632 22.123) 37.064 8.951 ( 12.814 -5.873 6.311) 15.444 9.976 ( -0.500 7.960 -1.903) 8.199 11.013 ( -3.500 -9.711 -4.242) 11.160 11.694 ( -2.324 -0.376 -8.727) 9.039 12.613 ( 8.839 -16.684 1.020) 18.909 12.814 ( 31.804 3.573 15.613) 35.609 13.837 ( 9.778 1.784 -5.780) 11.498 14.550 ( -0.283 -6.595 -2.490) 7.055 15.283 ( 6.458 -17.763 4.926) 19.532 15.893 ( -1.147 -9.108 2.525) 9.521 16.529 ( 20.538 -0.860 -1.416) 20.604 16.848 ( 5.703 -2.549 -9.503) 11.372 18.613 ( 1.605 -1.097 6.421) 6.709 19.326 ( -12.925 -8.637 -0.059) 15.545 19.856 ( 0.864 8.054 6.694) 10.509 21.107 ( -15.654 -6.168 -6.089) 17.893 38.244 ( 13.271 7.033 4.823) 15.775 38.776 ( 10.640 0.433 -0.994) 10.695 42.019 ( -0.258 4.424 1.277) 4.612 42.542 ( -8.309 -3.985 -5.449) 10.706 55.248 ( -20.736 33.101 7.811) 39.833 56.543 ( -42.848 30.521 -13.693) 54.360 ======================= Grid point 805 (248/420) ======================= q-point: ( 0.39 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.140 ( 24.814 -3.468 19.165) 31.545 8.574 ( 24.354 9.726 21.155) 33.693 9.152 ( 6.956 -8.496 10.630) 15.283 9.890 ( -7.736 4.387 3.033) 9.396 10.990 ( 1.219 -5.307 -4.042) 6.782 11.594 ( -6.877 3.835 -7.507) 10.879 12.675 ( 0.411 -6.148 -5.978) 8.586 13.330 ( 17.375 -16.627 7.784) 25.277 13.976 ( 4.197 -4.210 -5.441) 8.059 14.481 ( -4.833 -11.525 -3.112) 12.879 15.486 ( 12.495 -14.622 4.400) 19.730 15.829 ( -2.820 -14.140 -0.579) 14.430 16.791 ( 8.042 2.204 -7.394) 11.145 17.178 ( 23.494 -3.219 -2.015) 23.799 18.683 ( 4.428 1.640 7.528) 8.887 19.107 ( -8.947 -4.380 2.330) 10.231 19.875 ( 1.344 7.487 4.720) 8.952 20.788 ( -16.927 -3.983 -3.760) 17.791 38.471 ( 9.746 7.195 4.310) 12.857 38.950 ( 7.162 2.557 0.315) 7.611 42.027 ( 1.093 2.592 2.279) 3.621 42.391 ( -7.047 -2.858 -2.792) 8.101 54.928 ( -11.812 34.430 4.697) 36.701 55.816 ( -31.451 32.162 -8.966) 45.869 ======================= Grid point 806 (249/420) ======================= q-point: ( 0.44 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.570 ( 18.766 -8.270 13.184) 24.380 9.025 ( 20.384 4.582 23.159) 31.190 9.199 ( -1.899 -8.012 14.080) 16.310 9.701 ( -11.012 -1.569 8.963) 14.285 11.053 ( 4.827 0.122 -4.879) 6.864 11.443 ( -8.068 4.564 -6.155) 11.127 12.672 ( -0.306 1.943 -11.446) 11.614 13.523 ( 4.825 -29.144 2.519) 29.648 13.981 ( -3.495 0.036 -13.157) 13.613 14.411 ( -1.895 -29.001 1.646) 29.109 15.694 ( 7.114 -12.788 4.681) 15.364 15.847 ( 4.425 -9.117 0.119) 10.135 16.904 ( 3.628 5.583 -5.598) 8.699 17.601 ( 17.488 -8.306 -7.534) 20.775 18.716 ( -2.160 -1.654 7.946) 8.399 19.020 ( 0.487 6.372 9.164) 11.172 19.928 ( 4.563 4.281 1.751) 6.497 20.458 ( -16.126 -0.433 -1.906) 16.244 38.618 ( 5.177 7.119 3.807) 9.591 39.055 ( 3.548 4.223 1.289) 5.664 42.060 ( 2.133 0.893 2.292) 3.255 42.270 ( -5.167 -1.711 -0.412) 5.458 54.786 ( -2.970 35.120 1.387) 35.273 55.320 ( -18.881 33.433 -4.902) 38.708 ======================= Grid point 807 (250/420) ======================= q-point: (-0.50 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.802 ( 0.000 -14.720 6.018) 15.903 9.109 ( -0.000 1.038 23.359) 23.382 9.331 ( 0.000 4.321 22.780) 23.186 9.514 ( -0.000 -9.605 9.707) 13.655 11.129 ( 0.000 2.980 -5.622) 6.363 11.334 ( 0.000 3.680 -5.319) 6.468 12.669 ( 0.000 5.259 -14.036) 14.989 13.571 ( 0.000 -33.920 3.025) 34.055 13.922 ( 0.000 3.262 -18.181) 18.471 14.396 ( 0.000 -36.942 3.141) 37.076 15.759 ( 0.000 -11.712 3.867) 12.334 15.912 ( 0.000 -7.391 1.889) 7.629 16.938 ( 0.000 6.923 -5.064) 8.577 17.787 ( 0.000 -11.144 -11.874) 16.284 18.672 ( 0.000 -2.401 9.873) 10.161 19.044 ( 0.000 11.317 12.609) 16.943 20.022 ( -0.000 -1.185 -0.730) 1.392 20.242 ( 0.000 4.667 -0.370) 4.681 38.669 ( 0.000 7.043 3.590) 7.905 39.090 ( 0.000 4.870 1.661) 5.145 42.091 ( 0.000 -0.212 1.747) 1.760 42.209 ( 0.000 -0.816 0.968) 1.266 54.773 ( 0.000 35.315 -0.935) 35.328 55.118 ( 0.000 33.933 -2.357) 34.014 ======================= Grid point 817 (251/420) ======================= q-point: ( 0.00 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.432 ( 0.000 34.639 24.640) 42.509 5.995 ( 0.000 44.833 23.286) 50.519 7.317 ( 0.000 -8.602 -7.897) 11.677 8.001 ( 0.000 1.607 -2.908) 3.323 9.951 ( 0.000 42.320 37.591) 56.604 11.077 ( 0.000 -13.735 18.940) 23.396 11.618 ( 0.000 -4.502 0.116) 4.503 11.916 ( 0.000 -5.981 -2.507) 6.485 12.693 ( 0.000 2.950 -14.720) 15.012 13.427 ( 0.000 17.866 16.819) 24.537 15.089 ( 0.000 -6.334 14.013) 15.378 15.452 ( 0.000 3.492 3.148) 4.702 15.813 ( 0.000 -2.922 -3.072) 4.240 16.255 ( 0.000 -17.575 -9.141) 19.810 19.129 ( 0.000 11.867 8.577) 14.642 20.033 ( 0.000 -8.995 5.485) 10.535 20.863 ( 0.000 -14.166 7.156) 15.871 22.737 ( 0.000 4.083 -17.642) 18.108 36.934 ( 0.000 3.578 3.287) 4.859 37.333 ( 0.000 -2.423 -3.511) 4.266 42.396 ( 0.000 8.144 -16.041) 17.990 43.155 ( 0.000 -11.527 -18.476) 21.777 58.533 ( 0.000 38.752 3.303) 38.893 62.441 ( 0.000 -34.884 -74.883) 82.610 ======================= Grid point 818 (252/420) ======================= q-point: ( 0.06 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.704 ( 26.134 32.785 23.864) 48.243 6.045 ( 5.425 42.789 22.632) 48.708 7.541 ( 21.436 -8.092 -6.842) 23.913 8.033 ( 3.958 1.186 -3.513) 5.423 9.924 ( -1.789 38.151 35.110) 51.879 11.061 ( -0.929 -12.580 19.446) 23.179 11.684 ( 4.062 -1.443 -3.306) 5.433 12.029 ( 12.523 -4.426 -2.014) 13.434 12.737 ( 3.742 -0.301 -9.496) 10.211 13.426 ( 0.818 17.659 14.483) 22.853 15.038 ( -4.342 -6.205 13.037) 15.077 15.464 ( 0.925 1.578 2.602) 3.180 15.839 ( 2.496 -3.178 -1.231) 4.224 16.341 ( 8.042 -14.824 -9.613) 19.412 19.107 ( -2.421 10.447 8.988) 13.993 20.003 ( -2.900 -8.678 6.023) 10.954 20.782 ( -8.071 -13.236 6.117) 16.666 22.618 ( -11.784 3.510 -17.462) 21.357 36.999 ( 6.540 3.723 3.571) 8.330 37.403 ( 7.074 -2.586 -3.281) 8.215 42.381 ( -1.454 8.036 -15.366) 17.402 43.124 ( -3.157 -11.105 -17.897) 21.297 58.408 ( -12.599 38.423 3.381) 40.577 62.116 ( -32.124 -29.948 -69.842) 82.503 ======================= Grid point 819 (253/420) ======================= q-point: ( 0.11 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.174 ( 12.245 36.503 23.895) 45.314 6.397 ( 37.209 29.822 19.731) 51.606 7.973 ( 14.966 -0.012 -0.131) 14.966 8.290 ( 28.509 -5.835 -8.834) 30.411 9.935 ( 4.245 27.526 29.482) 40.557 11.069 ( 2.396 -11.086 19.705) 22.737 11.718 ( -0.393 5.581 -10.914) 12.264 12.356 ( 16.634 -0.873 1.573) 16.731 12.814 ( 5.551 -4.557 -0.153) 7.183 13.508 ( 8.255 13.442 8.835) 18.080 14.960 ( -2.830 -6.605 11.832) 13.843 15.487 ( 1.699 -1.754 1.385) 2.807 15.896 ( 2.851 -1.474 1.926) 3.743 16.530 ( 10.203 -10.764 -11.207) 18.589 19.027 ( -6.033 5.836 9.980) 13.041 19.930 ( -4.130 -7.402 7.798) 11.517 20.558 ( -14.389 -9.926 2.790) 17.701 22.309 ( -18.708 1.402 -16.769) 25.163 37.182 ( 11.878 4.169 4.298) 13.302 37.599 ( 12.569 -2.906 -2.567) 13.153 42.340 ( -2.654 7.698 -13.446) 15.719 43.036 ( -5.681 -9.992 -16.309) 19.952 58.056 ( -22.792 37.589 3.577) 44.105 61.258 ( -53.270 -18.238 -57.561) 80.521 ======================= Grid point 820 (254/420) ======================= q-point: ( 0.17 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.445 ( 16.205 29.887 22.397) 40.712 7.117 ( 33.108 24.365 18.186) 44.950 8.216 ( 13.056 5.300 3.343) 14.482 8.983 ( 36.783 -4.891 -7.968) 37.953 10.134 ( 16.542 9.296 21.044) 28.336 11.178 ( 9.055 -10.772 17.017) 22.082 11.688 ( -1.976 12.069 -12.684) 17.619 12.486 ( -2.279 3.344 8.387) 9.313 13.090 ( 21.280 -5.127 -1.597) 21.948 13.726 ( 12.809 5.310 6.642) 15.375 14.943 ( 0.993 -8.275 11.339) 14.073 15.549 ( 5.224 -3.417 0.466) 6.260 15.937 ( 1.329 2.200 4.179) 4.906 16.702 ( 6.429 -8.815 -13.930) 17.694 18.866 ( -10.092 -1.041 10.856) 14.859 19.858 ( -3.172 -5.231 11.365) 12.907 20.244 ( -16.784 -4.028 -3.487) 17.609 21.927 ( -19.466 -2.170 -15.033) 24.691 37.451 ( 15.348 4.870 5.202) 16.921 37.879 ( 15.634 -3.027 -1.384) 15.984 42.280 ( -3.375 7.099 -10.595) 13.193 42.908 ( -7.254 -8.529 -14.037) 17.955 57.543 ( -28.847 36.587 3.789) 46.745 60.125 ( -60.482 -5.489 -43.530) 74.720 ======================= Grid point 821 (255/420) ======================= q-point: ( 0.22 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.805 ( 20.387 21.512 21.536) 36.636 7.651 ( 22.263 17.818 15.340) 32.379 8.489 ( 13.925 9.969 9.040) 19.365 9.622 ( 27.201 2.380 -4.212) 27.628 10.532 ( 20.635 -13.918 9.388) 26.602 11.398 ( 10.970 -4.518 3.868) 12.478 11.714 ( 8.358 8.127 -1.650) 11.773 12.413 ( -2.807 5.073 11.375) 12.768 13.499 ( 18.462 -0.262 -4.534) 19.013 13.984 ( 13.466 -2.960 6.489) 15.238 14.965 ( -0.001 -11.504 11.518) 16.279 15.701 ( 9.760 -3.815 0.474) 10.490 15.974 ( 3.982 6.920 4.461) 9.146 16.751 ( -1.672 -10.281 -16.446) 19.468 18.667 ( -8.971 -4.907 10.498) 14.655 19.761 ( -9.684 -3.957 11.279) 15.383 19.977 ( -7.063 2.173 -6.855) 10.080 21.569 ( -16.936 -5.344 -11.952) 21.406 37.768 ( 16.742 5.693 6.039) 18.687 38.194 ( 16.289 -2.699 0.142) 16.511 42.212 ( -3.477 6.221 -7.306) 10.206 42.758 ( -7.899 -7.019 -11.361) 15.515 56.959 ( -30.078 35.675 3.859) 46.822 58.959 ( -57.517 4.917 -31.418) 65.723 ======================= Grid point 822 (256/420) ======================= q-point: ( 0.28 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.229 ( 22.602 13.059 20.776) 33.362 8.034 ( 17.842 11.293 13.305) 24.958 8.739 ( 11.611 11.102 13.906) 21.247 10.026 ( 14.016 8.289 0.838) 16.305 10.776 ( 3.085 -21.332 -0.791) 21.569 11.594 ( 10.312 4.896 -5.216) 12.550 12.012 ( 16.261 -12.426 1.042) 20.492 12.461 ( 10.230 4.906 17.264) 20.659 13.788 ( 11.037 6.327 -5.022) 13.677 14.238 ( 11.722 -9.554 4.248) 15.708 14.923 ( -3.219 -14.570 10.309) 18.136 15.840 ( 1.613 -1.753 2.489) 3.445 16.166 ( 15.993 4.805 0.427) 16.705 16.678 ( -2.893 -11.761 -15.588) 19.740 18.561 ( -1.394 -3.106 8.084) 8.771 19.504 ( -13.826 0.098 -1.683) 13.928 19.948 ( 1.208 2.379 3.484) 4.388 21.262 ( -14.677 -6.398 -8.147) 17.964 38.093 ( 16.123 6.488 6.661) 18.612 38.503 ( 15.005 -1.913 1.813) 15.234 42.149 ( -2.944 5.089 -4.126) 7.182 42.604 ( -7.790 -5.617 -8.460) 12.799 56.396 ( -26.840 34.896 3.611) 44.172 57.909 ( -49.374 12.581 -22.159) 55.561 ======================= Grid point 823 (257/420) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.674 ( 22.440 5.490 19.717) 30.371 8.370 ( 16.661 4.973 12.615) 21.482 8.945 ( 9.454 8.770 17.418) 21.672 10.155 ( -1.612 10.560 5.067) 11.823 10.780 ( 1.438 -15.250 -1.002) 15.350 11.724 ( 1.788 3.419 -8.258) 9.115 12.245 ( 8.979 -16.762 -0.263) 19.017 12.787 ( 18.303 -8.150 13.080) 23.927 13.894 ( -1.560 4.718 1.035) 5.076 14.402 ( 4.339 -7.863 -3.791) 9.748 14.942 ( 7.421 -16.300 7.266) 19.327 15.741 ( -9.402 -5.763 0.044) 11.028 16.526 ( 18.435 0.061 -5.745) 19.309 16.757 ( 11.722 -5.823 -8.104) 15.394 18.603 ( 5.026 0.010 5.717) 7.612 19.265 ( -10.075 2.897 -4.706) 11.491 19.976 ( 1.195 2.639 6.176) 6.821 20.984 ( -14.029 -5.453 -4.458) 15.697 38.387 ( 13.734 7.139 7.020) 16.996 38.772 ( 12.316 -0.840 3.418) 12.809 42.101 ( -1.886 3.777 -1.518) 4.486 42.458 ( -7.090 -4.350 -5.521) 9.984 55.931 ( -20.237 34.144 2.883) 39.795 57.040 ( -39.337 18.259 -15.269) 45.978 ======================= Grid point 824 (258/420) ======================= q-point: ( 0.39 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.091 ( 19.757 -0.430 17.448) 26.362 8.687 ( 15.579 -2.778 12.323) 20.057 9.103 ( 6.582 6.991 21.533) 23.577 9.990 ( -13.214 5.242 10.030) 17.398 10.884 ( 8.271 -5.704 -0.289) 10.051 11.685 ( -5.003 5.180 -7.927) 10.710 12.396 ( 6.821 -17.984 0.474) 19.240 13.054 ( 8.423 -16.410 2.732) 18.646 13.745 ( -11.569 -9.554 6.038) 16.173 14.398 ( -4.914 -1.348 -14.428) 15.302 15.180 ( 14.375 -15.478 7.327) 22.359 15.616 ( -1.142 -7.425 -0.207) 7.515 16.820 ( 11.655 0.559 -10.416) 15.641 17.084 ( 18.941 -5.927 -5.982) 20.729 18.716 ( 4.942 2.284 4.754) 7.228 19.134 ( -2.400 6.296 -2.256) 7.105 19.989 ( 0.122 2.787 6.393) 6.975 20.708 ( -14.218 -3.447 -1.307) 14.688 38.621 ( 9.947 7.579 7.159) 14.410 38.979 ( 8.681 0.262 4.755) 9.902 42.077 ( -0.517 2.392 0.214) 2.457 42.330 ( -5.890 -3.184 -2.806) 7.259 55.617 ( -11.716 33.310 1.546) 35.344 56.373 ( -28.744 22.560 -9.993) 37.882 ======================= Grid point 825 (259/420) ======================= q-point: ( 0.44 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.425 ( 13.676 -4.877 13.170) 19.603 8.952 ( 9.901 -11.353 11.525) 18.967 9.216 ( 6.433 8.538 26.505) 28.580 9.701 ( -15.305 1.027 16.280) 22.369 11.066 ( 9.679 1.222 -1.571) 9.882 11.548 ( -8.450 5.932 -5.545) 11.719 12.521 ( 5.790 -19.076 0.511) 19.942 13.147 ( 2.370 -10.698 -5.284) 12.165 13.510 ( -11.234 -27.247 5.354) 29.955 14.260 ( -6.956 0.972 -17.651) 18.997 15.421 ( 8.840 -13.335 6.483) 17.262 15.676 ( 5.219 -8.283 1.145) 9.857 16.993 ( 5.967 2.619 -11.178) 12.939 17.406 ( 12.531 -10.547 -11.047) 19.756 18.750 ( -0.833 6.048 4.879) 7.815 19.188 ( 6.250 8.670 2.864) 11.065 19.990 ( 0.398 1.764 5.355) 5.652 20.442 ( -12.142 -1.028 1.209) 12.245 38.770 ( 5.211 7.809 7.175) 11.816 39.108 ( 4.474 1.099 5.645) 7.287 42.080 ( 0.724 1.086 0.917) 1.595 42.231 ( -4.048 -2.100 -0.628) 4.603 55.474 ( -3.157 32.405 -0.470) 32.561 55.921 ( -17.216 25.594 -5.787) 31.384 ======================= Grid point 826 (260/420) ======================= q-point: (-0.50 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.574 ( 0.000 -7.621 9.589) 12.249 9.034 ( -0.000 -9.201 14.890) 17.503 9.413 ( 0.000 0.217 22.347) 22.348 9.419 ( -0.000 4.242 23.212) 23.597 11.202 ( 0.000 4.507 -3.534) 5.727 11.422 ( -0.000 5.196 -3.073) 6.037 12.589 ( 0.000 -19.720 0.576) 19.729 13.175 ( 0.000 1.708 -10.163) 10.305 13.376 ( 0.000 -42.134 6.021) 42.562 14.186 ( 0.000 1.150 -17.782) 17.819 15.507 ( 0.000 -12.083 5.224) 13.164 15.740 ( 0.000 -9.634 2.287) 9.902 17.051 ( 0.000 3.505 -11.553) 12.073 17.534 ( 0.000 -13.166 -13.916) 19.157 18.734 ( 0.000 8.589 6.289) 10.645 19.270 ( 0.000 9.718 4.758) 10.820 20.002 ( 0.000 -0.215 4.141) 4.147 20.300 ( 0.000 0.957 2.638) 2.806 38.822 ( 0.000 7.876 7.166) 10.648 39.152 ( 0.000 1.415 5.957) 6.123 42.093 ( 0.000 0.343 0.825) 0.893 42.186 ( 0.000 -1.449 0.462) 1.521 55.459 ( 0.000 31.940 -2.235) 32.018 55.736 ( 0.000 26.784 -3.320) 26.989 ======================= Grid point 836 (261/420) ======================= q-point: ( 0.00 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.078 ( 0.000 29.426 17.057) 34.012 6.821 ( 0.000 36.045 15.906) 39.399 7.083 ( 0.000 -14.852 0.203) 14.854 7.938 ( 0.000 -7.775 4.747) 9.109 10.466 ( 0.000 6.096 8.100) 10.137 11.017 ( 0.000 8.840 33.991) 35.122 11.558 ( 0.000 -1.597 -1.274) 2.043 11.806 ( 0.000 -4.572 -4.262) 6.250 12.789 ( 0.000 9.761 -2.776) 10.148 13.613 ( 0.000 -1.922 22.960) 23.040 15.047 ( 0.000 1.984 4.759) 5.156 15.514 ( 0.000 2.519 2.382) 3.467 15.761 ( 0.000 -2.212 -1.907) 2.921 15.962 ( 0.000 -10.925 -6.160) 12.542 19.282 ( 0.000 2.955 11.142) 11.527 19.971 ( 0.000 4.348 7.516) 8.684 20.543 ( 0.000 -17.193 3.762) 17.600 22.804 ( 0.000 2.433 -13.087) 13.311 36.998 ( 0.000 2.685 2.438) 3.626 37.286 ( 0.000 -2.018 -2.470) 3.190 42.547 ( 0.000 7.230 -17.928) 19.332 42.940 ( 0.000 -9.814 -19.975) 22.256 59.420 ( 0.000 49.150 -15.794) 51.625 61.576 ( 0.000 -49.605 -57.555) 75.982 ======================= Grid point 837 (262/420) ======================= q-point: ( 0.06 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.313 ( 22.756 27.476 16.432) 39.278 6.824 ( 1.447 32.508 15.408) 36.004 7.335 ( 23.961 -11.349 0.187) 26.513 7.963 ( 3.005 -8.059 4.395) 9.659 10.414 ( -4.662 9.480 9.723) 14.358 10.944 ( -5.062 0.877 31.150) 31.571 11.682 ( 9.127 1.633 -4.043) 10.115 11.944 ( 13.994 -4.322 -2.827) 14.916 12.822 ( 3.214 11.037 0.560) 11.509 13.603 ( -0.559 -2.440 20.961) 21.110 14.984 ( -5.386 1.300 4.627) 7.219 15.463 ( -4.014 -1.712 0.987) 4.474 15.805 ( 4.930 -0.133 0.032) 4.932 16.107 ( 12.038 -8.192 -6.516) 15.953 19.234 ( -4.998 2.116 13.241) 14.310 19.940 ( -3.037 3.591 7.404) 8.772 20.486 ( -5.526 -15.720 1.715) 16.751 22.677 ( -12.583 2.260 -13.477) 18.576 37.066 ( 6.770 2.758 2.822) 7.836 37.355 ( 6.905 -2.057 -2.077) 7.499 42.530 ( -1.711 7.071 -17.273) 18.743 42.916 ( -2.423 -9.486 -19.393) 21.724 59.279 ( -14.191 47.825 -14.984) 52.087 61.338 ( -23.684 -45.842 -54.563) 75.097 ======================= Grid point 838 (263/420) ======================= q-point: ( 0.11 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.835 ( 17.436 26.833 18.028) 36.729 6.936 ( 19.974 23.901 12.119) 33.422 7.915 ( 27.624 -4.549 1.189) 28.022 8.131 ( 21.365 -10.437 1.711) 23.839 10.319 ( -4.298 12.669 13.745) 19.181 10.877 ( -1.189 -9.645 26.757) 28.467 11.840 ( 6.762 7.074 -10.529) 14.374 12.283 ( 17.441 -6.883 -1.077) 18.781 12.914 ( 6.731 15.027 7.790) 18.215 13.621 ( 3.206 -4.385 15.535) 16.458 14.881 ( -4.345 -0.129 5.082) 6.688 15.404 ( -1.302 -5.419 0.149) 5.575 15.921 ( 6.105 2.646 2.268) 7.030 16.359 ( 12.447 -6.066 -8.610) 16.305 19.077 ( -11.233 -0.486 18.126) 21.330 19.867 ( -3.840 1.666 6.728) 7.924 20.343 ( -8.731 -11.034 -2.866) 14.359 22.340 ( -20.934 1.416 -14.277) 25.378 37.256 ( 12.373 3.016 3.836) 13.300 37.547 ( 12.392 -2.152 -0.975) 12.615 42.482 ( -3.162 6.617 -15.402) 17.059 42.848 ( -4.446 -8.602 -17.734) 20.205 58.885 ( -25.434 44.284 -12.793) 52.646 60.694 ( -40.683 -36.272 -46.858) 71.878 ======================= Grid point 839 (264/420) ======================= q-point: ( 0.17 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.016 ( 9.460 25.847 16.792) 32.242 7.454 ( 22.262 8.146 10.361) 25.871 8.319 ( 22.215 4.788 5.840) 23.463 8.873 ( 44.048 -5.912 -2.573) 44.518 10.268 ( -0.539 8.098 16.592) 18.470 10.912 ( 5.040 -16.949 21.747) 28.029 11.945 ( 4.070 12.472 -14.111) 19.267 12.501 ( 3.753 -3.405 6.189) 7.999 13.143 ( 17.228 11.898 6.187) 21.832 13.732 ( 7.557 -6.599 10.128) 14.256 14.830 ( -1.029 -1.808 6.815) 7.125 15.434 ( 4.755 -6.496 0.030) 8.050 16.028 ( 4.839 4.820 3.313) 7.591 16.548 ( 5.794 -5.898 -11.888) 14.481 18.815 ( -14.333 -3.401 20.806) 25.493 19.805 ( -2.437 0.110 6.889) 7.308 20.156 ( -10.138 -4.769 -7.503) 13.484 21.903 ( -22.649 -0.458 -14.309) 26.794 37.537 ( 16.057 3.494 5.163) 17.224 37.825 ( 15.653 -2.241 0.642) 15.825 42.410 ( -4.121 5.928 -12.595) 14.517 42.746 ( -5.823 -7.394 -15.218) 17.894 58.316 ( -31.827 39.536 -9.815) 51.695 59.810 ( -48.183 -24.502 -37.192) 65.614 ======================= Grid point 840 (265/420) ======================= q-point: ( 0.22 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.236 ( 13.025 20.801 16.468) 29.555 7.790 ( 13.976 -2.585 7.988) 16.304 8.776 ( 21.743 15.754 10.144) 28.703 9.674 ( 34.475 -0.286 -0.661) 34.482 10.311 ( 5.336 -1.549 13.318) 14.430 11.083 ( 12.779 -22.570 16.662) 30.828 12.005 ( 2.193 15.151 -14.220) 20.894 12.501 ( -1.405 2.127 12.976) 13.224 13.518 ( 19.354 4.312 0.134) 19.829 13.895 ( 8.932 -7.673 6.656) 13.526 14.809 ( -2.332 -3.356 9.633) 10.464 15.595 ( 11.302 -5.398 0.836) 12.553 16.128 ( 5.984 6.654 2.073) 9.186 16.552 ( -5.324 -8.510 -13.916) 17.159 18.580 ( -8.121 -3.414 17.509) 19.600 19.750 ( -4.765 2.037 5.792) 7.771 19.972 ( -7.044 -2.366 -8.660) 11.411 21.490 ( -18.924 -2.476 -12.141) 22.620 37.869 ( 17.540 4.145 6.496) 19.158 38.144 ( 16.598 -2.252 2.525) 16.939 42.325 ( -4.433 5.076 -9.287) 11.475 42.625 ( -6.492 -6.103 -12.131) 15.052 57.675 ( -32.899 34.588 -6.734) 48.208 58.863 ( -47.483 -13.420 -27.924) 56.696 ======================= Grid point 841 (266/420) ======================= q-point: ( 0.28 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.518 ( 15.477 15.371 16.199) 27.170 8.046 ( 12.675 -7.258 7.703) 16.513 9.112 ( 12.467 22.787 15.769) 30.387 10.135 ( 13.709 -11.717 5.700) 18.914 10.448 ( 6.216 4.787 9.082) 12.002 11.412 ( 19.596 -21.749 6.832) 30.061 12.033 ( 0.877 11.818 -12.073) 16.917 12.494 ( 0.958 -1.897 14.039) 14.199 13.869 ( 15.834 2.483 -3.332) 16.371 14.080 ( 9.628 -6.995 4.002) 12.556 14.708 ( -7.340 -6.154 11.537) 14.995 15.795 ( 4.063 -2.147 2.696) 5.328 16.258 ( 7.015 3.170 -5.858) 9.673 16.459 ( 2.371 -8.431 -9.928) 13.239 18.519 ( 1.520 -1.177 10.552) 10.725 19.586 ( -10.441 7.102 -5.475) 13.764 19.921 ( 0.580 -4.840 1.914) 5.237 21.167 ( -14.414 -3.006 -7.980) 16.747 38.209 ( 16.881 4.877 7.627) 19.156 38.461 ( 15.557 -2.168 4.442) 16.323 42.241 ( -4.063 4.123 -5.977) 8.321 42.497 ( -6.498 -4.879 -8.787) 11.968 57.060 ( -29.324 30.088 -4.122) 42.215 57.986 ( -41.665 -4.246 -20.176) 46.488 ======================= Grid point 842 (267/420) ======================= q-point: ( 0.33 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.831 ( 16.295 10.121 15.908) 24.920 8.291 ( 12.276 -9.574 8.760) 17.863 9.281 ( 5.561 21.656 21.054) 30.711 10.239 ( -4.372 -16.209 4.774) 17.454 10.566 ( 9.237 8.392 15.403) 19.824 11.731 ( 9.760 -7.350 -4.923) 13.172 12.065 ( 3.310 1.788 -6.768) 7.743 12.528 ( 2.177 -15.111 10.523) 18.543 14.019 ( -5.352 7.033 0.932) 8.887 14.259 ( 8.430 -6.120 -3.488) 10.986 14.652 ( 6.179 -12.016 9.248) 16.373 15.666 ( -11.448 -2.045 -0.421) 11.637 16.510 ( 17.357 -1.788 -11.055) 20.657 16.660 ( 14.390 -3.012 -5.499) 15.696 18.613 ( 7.374 0.803 5.670) 9.336 19.398 ( -7.985 8.759 -9.146) 14.971 19.949 ( 1.698 -4.754 7.016) 8.644 20.909 ( -12.471 -2.061 -3.462) 13.105 38.517 ( 14.355 5.595 8.468) 17.581 38.743 ( 12.974 -2.027 6.199) 14.521 42.170 ( -3.099 3.114 -3.111) 5.383 42.374 ( -5.914 -3.768 -5.540) 8.937 56.550 ( -22.393 26.318 -2.361) 34.636 57.249 ( -33.467 2.894 -14.086) 36.426 ======================= Grid point 843 (268/420) ======================= q-point: ( 0.39 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.142 ( 15.106 5.612 15.292) 22.216 8.521 ( 11.106 -10.889 10.436) 18.731 9.352 ( 2.187 14.825 24.463) 28.688 10.025 ( -15.056 -4.516 14.412) 21.326 10.812 ( 14.587 1.123 9.197) 17.281 11.779 ( -2.943 3.280 -9.934) 10.867 12.138 ( 2.508 -5.951 0.921) 6.523 12.582 ( 3.264 -26.365 4.261) 26.905 13.759 ( -16.344 7.760 2.012) 18.204 14.308 ( -3.978 -8.167 -11.044) 14.300 14.922 ( 17.528 -9.104 7.014) 20.960 15.521 ( -2.351 -2.513 -0.966) 3.574 16.823 ( 13.255 0.293 -12.390) 18.147 16.961 ( 15.302 -5.906 -9.202) 18.808 18.783 ( 9.178 3.704 3.714) 10.571 19.293 ( -2.412 8.150 -7.475) 11.319 19.977 ( 1.261 -3.161 8.877) 9.507 20.665 ( -12.645 -0.905 0.568) 12.690 38.761 ( 10.372 6.210 9.015) 15.080 38.962 ( 9.273 -1.890 7.620) 12.150 42.122 ( -1.725 2.105 -1.017) 2.905 42.269 ( -4.810 -2.770 -2.753) 6.196 56.196 ( -13.603 23.308 -1.667) 27.039 56.682 ( -24.389 8.221 -9.386) 27.396 ======================= Grid point 844 (269/420) ======================= q-point: ( 0.44 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.399 ( 10.349 2.341 13.613) 17.259 8.715 ( 8.252 -11.606 12.171) 18.733 9.387 ( 2.050 7.733 26.377) 27.564 9.715 ( -15.291 -0.266 21.402) 26.304 11.104 ( 14.640 2.683 3.292) 15.243 11.660 ( -8.652 4.290 -7.507) 12.232 12.165 ( 1.083 -11.396 4.375) 12.255 12.627 ( 0.655 -29.894 2.919) 30.043 13.493 ( -9.307 12.630 -5.486) 16.620 14.174 ( -7.411 -10.240 -11.447) 17.053 15.228 ( 12.096 -5.293 3.683) 13.708 15.531 ( 1.678 -5.704 -0.090) 5.946 17.020 ( 6.915 1.067 -13.594) 15.289 17.207 ( 8.969 -8.854 -13.656) 18.583 18.930 ( 4.926 10.228 2.258) 11.575 19.311 ( 3.697 2.833 -3.864) 6.052 20.006 ( 2.002 0.266 9.454) 9.667 20.421 ( -11.713 -0.994 3.978) 12.411 38.917 ( 5.419 6.631 9.315) 12.653 39.100 ( 4.828 -1.797 8.548) 9.981 42.103 ( -0.266 1.217 0.098) 1.250 42.190 ( -3.158 -1.928 -0.734) 3.773 56.019 ( -4.576 21.064 -2.120) 21.659 56.299 ( -14.545 11.851 -5.797) 19.636 ======================= Grid point 845 (270/420) ======================= q-point: (-0.50 0.42 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.508 ( 0.000 0.955 12.067) 12.104 8.808 ( -0.000 -11.857 13.001) 17.596 9.463 ( -0.000 3.269 26.849) 27.047 9.489 ( 0.000 2.522 24.650) 24.778 11.311 ( 0.000 6.423 -1.734) 6.652 11.512 ( -0.000 2.083 -2.797) 3.487 12.181 ( 0.000 -13.845 4.671) 14.612 12.623 ( 0.000 -31.400 4.611) 31.737 13.407 ( 0.000 16.630 -10.702) 19.776 14.091 ( 0.000 -11.636 -10.848) 15.909 15.353 ( 0.000 -2.265 1.376) 2.650 15.549 ( 0.000 -9.027 1.217) 9.109 17.089 ( 0.000 1.315 -14.430) 14.490 17.296 ( 0.000 -10.188 -15.120) 18.233 18.974 ( 0.000 13.977 1.723) 14.083 19.366 ( 0.000 -1.119 -2.618) 2.847 20.044 ( 0.000 4.840 9.562) 10.717 20.275 ( 0.000 -3.466 5.716) 6.685 38.970 ( 0.000 6.781 9.409) 11.598 39.148 ( 0.000 -1.764 8.870) 9.044 42.104 ( 0.000 0.832 0.274) 0.876 42.155 ( 0.000 -1.567 0.169) 1.576 55.990 ( 0.000 20.287 -3.158) 20.532 56.142 ( 0.000 13.091 -3.731) 13.612 ======================= Grid point 855 (271/420) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.489 ( 0.000 0.000 11.690) 11.690 6.821 ( 0.000 -0.000 5.939) 5.939 7.271 ( 0.000 0.000 8.512) 8.512 7.781 ( 0.000 -0.000 14.698) 14.698 10.474 ( 0.000 0.000 3.385) 3.385 11.145 ( 0.000 0.000 25.692) 25.692 11.545 ( 0.000 0.000 -1.658) 1.658 11.756 ( 0.000 0.000 -5.095) 5.095 12.977 ( 0.000 0.000 7.450) 7.450 13.499 ( 0.000 0.000 26.914) 26.914 15.088 ( 0.000 0.000 -1.563) 1.563 15.541 ( 0.000 0.000 2.011) 2.011 15.736 ( 0.000 0.000 -1.387) 1.387 15.849 ( 0.000 0.000 -3.839) 3.839 19.297 ( 0.000 0.000 10.728) 10.728 20.126 ( 0.000 -0.000 20.422) 20.422 20.267 ( 0.000 0.000 -8.403) 8.403 22.829 ( 0.000 0.000 -11.445) 11.445 37.028 ( 0.000 -0.000 2.025) 2.025 37.263 ( 0.000 0.000 -1.986) 1.986 42.654 ( 0.000 0.000 -17.157) 17.157 42.806 ( 0.000 -0.000 -21.924) 21.924 60.290 ( 0.000 0.000 -30.870) 30.870 60.698 ( 0.000 0.000 -43.066) 43.066 ======================= Grid point 857 (272/420) ======================= q-point: ( 0.06 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.681 ( 18.500 0.000 11.877) 21.984 7.028 ( 17.104 0.000 5.836) 18.072 7.341 ( 10.580 0.000 7.638) 13.048 7.803 ( 2.756 -0.000 13.422) 13.702 10.468 ( -0.161 0.000 3.952) 3.955 10.971 ( -12.930 0.000 25.929) 28.974 11.719 ( 12.765 0.000 -3.577) 13.257 11.882 ( 12.037 0.000 -4.775) 12.949 13.041 ( 6.483 0.000 8.959) 11.058 13.471 ( -2.477 0.000 25.745) 25.864 15.020 ( -5.876 0.000 -1.988) 6.203 15.434 ( -7.040 0.000 1.770) 7.259 15.812 ( 6.699 0.000 -0.311) 6.707 16.023 ( 13.643 0.000 -4.306) 14.307 19.242 ( -5.804 0.000 14.003) 15.158 20.060 ( -6.139 -0.000 17.037) 18.109 20.250 ( -1.726 0.000 -8.314) 8.492 22.701 ( -12.770 0.000 -12.005) 17.527 37.096 ( 6.851 -0.000 2.442) 7.273 37.332 ( 6.873 0.000 -1.542) 7.044 42.633 ( -2.057 0.000 -16.578) 16.705 42.787 ( -1.912 -0.000 -21.262) 21.348 60.113 ( -17.734 0.000 -29.307) 34.255 60.520 ( -17.758 0.000 -41.197) 44.862 ======================= Grid point 859 (273/420) ======================= q-point: ( 0.11 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.117 ( 22.464 0.000 13.644) 26.283 7.240 ( 6.313 0.000 7.795) 10.031 7.885 ( 41.606 -0.000 3.250) 41.732 7.940 ( 13.467 -0.000 8.947) 16.168 10.485 ( 2.157 0.000 5.631) 6.030 10.721 ( -12.058 0.000 28.784) 31.208 11.949 ( 9.995 0.000 -9.614) 13.868 12.171 ( 15.749 -0.000 -3.190) 16.069 13.224 ( 11.809 -0.000 11.383) 16.401 13.427 ( -1.057 0.000 22.015) 22.040 14.903 ( -5.220 0.000 -1.686) 5.486 15.334 ( -2.502 0.000 2.008) 3.208 15.955 ( 7.210 0.000 1.418) 7.348 16.297 ( 13.074 0.000 -6.978) 14.820 19.060 ( -12.756 0.000 21.552) 25.044 19.923 ( -6.861 -0.000 9.240) 11.509 20.197 ( -3.809 0.000 -8.284) 9.118 22.355 ( -21.603 0.000 -13.278) 25.357 37.289 ( 12.578 -0.000 3.557) 13.071 37.523 ( 12.330 0.000 -0.319) 12.334 42.575 ( -3.752 0.000 -14.920) 15.384 42.733 ( -3.594 -0.000 -19.359) 19.690 59.624 ( -31.322 0.000 -25.128) 40.156 60.032 ( -31.185 0.000 -36.247) 47.816 ======================= Grid point 861 (274/420) ======================= q-point: ( 0.17 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.372 ( 7.885 0.000 8.205) 11.380 7.452 ( 12.007 -0.000 15.473) 19.585 8.376 ( 29.272 0.000 3.807) 29.519 8.795 ( 48.275 -0.000 0.304) 48.276 10.519 ( -7.829 -0.000 30.014) 31.018 10.557 ( 5.118 0.000 8.486) 9.910 12.103 ( 5.898 0.000 -13.140) 14.403 12.426 ( 8.834 0.000 2.030) 9.064 13.471 ( 12.571 -0.001 11.434) 16.993 13.472 ( 6.400 0.001 13.884) 15.288 14.833 ( -2.096 0.000 0.988) 2.318 15.354 ( 4.904 0.000 1.879) 5.252 16.082 ( 5.835 0.000 2.197) 6.235 16.487 ( 5.069 0.000 -10.525) 11.682 18.773 ( -15.022 0.000 25.207) 29.344 19.820 ( -3.378 0.000 4.666) 5.760 20.095 ( -6.748 0.000 -9.056) 11.294 21.900 ( -23.797 0.000 -13.969) 27.594 37.576 ( 16.400 -0.000 5.054) 17.161 37.800 ( 15.581 0.000 1.417) 15.646 42.490 ( -4.823 0.000 -12.417) 13.321 42.650 ( -4.857 -0.000 -16.450) 17.152 58.931 ( -38.374 0.000 -19.544) 43.064 59.344 ( -38.073 0.000 -29.725) 48.302 ======================= Grid point 863 (275/420) ======================= q-point: ( 0.22 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.555 ( 10.739 0.000 8.741) 13.847 7.653 ( 9.808 -0.000 14.430) 17.447 8.969 ( 29.182 0.000 1.675) 29.230 9.610 ( 28.318 -0.000 5.093) 28.773 10.504 ( 11.519 0.000 21.777) 24.636 10.668 ( 5.565 -0.000 12.837) 13.992 12.186 ( 2.683 0.000 -13.691) 13.952 12.501 ( -0.487 0.000 8.963) 8.977 13.672 ( 13.136 -0.000 2.982) 13.470 13.702 ( 11.404 0.000 9.483) 14.832 14.792 ( -3.350 0.000 6.141) 6.995 15.531 ( 12.794 0.000 1.702) 12.907 16.202 ( 7.213 0.000 0.871) 7.265 16.457 ( -8.035 0.000 -12.244) 14.646 18.544 ( -7.019 0.000 20.338) 21.515 19.789 ( 0.078 0.000 5.676) 5.677 19.929 ( -10.120 0.000 -11.404) 15.247 21.467 ( -19.689 0.000 -12.265) 23.197 37.916 ( 17.995 -0.000 6.604) 19.168 38.117 ( 16.527 0.000 3.375) 16.869 42.392 ( -5.152 0.000 -9.420) 10.737 42.547 ( -5.577 -0.000 -12.895) 14.050 58.167 ( -38.741 0.000 -13.847) 41.141 58.583 ( -38.765 0.000 -23.093) 45.122 ======================= Grid point 865 (276/420) ======================= q-point: ( 0.28 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.785 ( 12.580 0.000 9.806) 15.951 7.857 ( 11.160 -0.000 13.134) 17.235 9.476 ( 22.246 0.000 0.547) 22.253 9.801 ( -2.280 0.000 22.077) 22.194 10.748 ( 2.141 0.000 18.654) 18.776 11.014 ( 32.819 -0.000 0.125) 32.819 12.208 ( -0.458 0.000 -12.066) 12.075 12.437 ( -5.522 0.000 11.459) 12.720 13.943 ( 13.551 -0.000 7.069) 15.284 13.946 ( 13.837 0.000 -5.077) 14.739 14.659 ( -10.294 0.000 10.985) 15.054 15.771 ( 5.923 0.000 2.929) 6.608 16.275 ( -3.561 0.000 -13.599) 14.057 16.385 ( 11.520 -0.000 -2.101) 11.710 18.508 ( 2.741 0.000 11.464) 11.787 19.715 ( -11.135 0.000 -14.105) 17.970 19.815 ( 2.262 -0.000 8.755) 9.042 21.139 ( -14.162 0.000 -8.024) 16.277 38.265 ( 17.420 -0.000 7.974) 19.159 38.433 ( 15.457 0.000 5.317) 16.346 42.294 ( -4.760 0.000 -6.334) 7.923 42.435 ( -5.697 -0.000 -9.131) 10.762 57.450 ( -33.823 0.000 -8.982) 34.995 57.856 ( -35.043 0.000 -17.211) 39.041 ======================= Grid point 867 (277/420) ======================= q-point: ( 0.33 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.038 ( 13.036 0.000 11.464) 17.360 8.087 ( 12.165 -0.000 12.288) 17.291 9.699 ( -6.506 -0.000 25.783) 26.591 9.819 ( 11.752 0.000 2.071) 11.933 10.767 ( 1.295 0.000 22.964) 23.000 11.572 ( 21.859 -0.000 -8.948) 23.619 12.177 ( -2.012 0.000 -7.481) 7.747 12.308 ( -7.045 0.000 9.416) 11.760 14.135 ( -2.389 0.000 4.254) 4.879 14.163 ( 6.743 -0.000 -9.741) 11.847 14.517 ( 5.072 0.000 12.183) 13.197 15.647 ( -11.391 0.000 -0.237) 11.394 16.484 ( 18.751 0.000 -12.452) 22.509 16.634 ( 13.272 -0.000 -5.318) 14.297 18.623 ( 8.483 0.000 5.621) 10.176 19.519 ( -8.465 0.000 -14.317) 16.633 19.868 ( 2.963 0.000 11.176) 11.563 20.891 ( -11.774 0.000 -3.211) 12.204 38.585 ( 14.975 -0.000 9.046) 17.495 38.711 ( 12.775 0.000 7.063) 14.598 42.209 ( -3.761 0.000 -3.553) 5.174 42.328 ( -5.225 -0.000 -5.610) 7.666 56.866 ( -25.568 0.000 -5.454) 26.143 57.229 ( -28.791 0.000 -12.349) 31.328 ======================= Grid point 869 (278/420) ======================= q-point: ( 0.39 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.287 ( 12.250 0.000 13.293) 18.076 8.322 ( 11.547 -0.000 12.021) 16.669 9.573 ( -6.061 -0.000 26.262) 26.952 9.886 ( -4.899 0.000 12.510) 13.435 10.874 ( 10.552 0.000 17.009) 20.016 11.800 ( 0.807 -0.000 -13.786) 13.809 12.184 ( 3.405 0.001 -0.012) 3.405 12.186 ( -4.795 -0.001 5.748) 7.486 13.896 ( -14.247 0.000 3.732) 14.728 14.166 ( -6.214 0.000 -11.417) 12.999 14.833 ( 19.948 0.000 6.207) 20.892 15.499 ( -3.267 0.000 -1.515) 3.602 16.842 ( 16.107 0.000 -14.664) 21.783 16.880 ( 11.348 -0.000 -8.812) 14.368 18.826 ( 11.839 0.000 3.240) 12.274 19.391 ( -4.735 0.000 -11.378) 12.324 19.928 ( 3.256 0.000 11.985) 12.419 20.659 ( -12.291 0.000 1.160) 12.346 38.842 ( 11.092 -0.000 9.768) 14.780 38.925 ( 8.882 0.000 8.482) 12.282 42.149 ( -2.319 0.000 -1.409) 2.713 42.235 ( -4.228 -0.000 -2.734) 5.035 56.460 ( -15.757 0.000 -3.435) 16.127 56.738 ( -21.255 0.000 -8.484) 22.886 ======================= Grid point 871 (279/420) ======================= q-point: ( 0.44 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.502 ( 9.031 0.000 14.095) 16.740 8.519 ( 8.010 -0.000 12.287) 14.667 9.481 ( -2.603 -0.000 26.461) 26.589 9.698 ( -11.826 0.000 22.750) 25.640 11.147 ( 15.886 0.000 7.177) 17.432 11.690 ( -9.794 -0.000 -8.914) 13.243 12.136 ( -0.193 0.000 3.543) 3.549 12.229 ( -0.612 -0.000 2.587) 2.658 13.712 ( -3.217 -0.000 -2.387) 4.005 13.974 ( -11.643 0.000 -10.698) 15.812 15.185 ( 14.910 0.000 2.413) 15.104 15.471 ( -1.306 0.000 -1.600) 2.065 17.064 ( 7.118 0.000 -12.465) 14.354 17.078 ( 7.719 -0.000 -16.357) 18.087 19.061 ( 11.274 -0.000 1.176) 11.336 19.319 ( -3.216 0.000 -6.771) 7.496 20.010 ( 5.719 0.000 11.202) 12.577 20.409 ( -13.033 0.000 5.186) 14.027 39.013 ( 6.275 -0.000 10.108) 11.897 39.053 ( 4.153 0.000 9.485) 10.354 42.120 ( -0.617 0.000 -0.144) 0.634 42.165 ( -2.825 -0.000 -0.786) 2.932 56.251 ( -5.668 0.000 -2.885) 6.361 56.402 ( -12.960 0.000 -5.571) 14.107 ======================= Grid point 873 (280/420) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.602 ( -0.009 -8.080 13.140) 15.425 8.602 ( 0.009 8.080 13.140) 15.425 9.508 ( -5.841 -0.207 26.442) 27.080 9.508 ( 5.841 0.207 26.442) 27.080 11.451 ( -10.399 -4.769 -1.262) 11.509 11.451 ( 10.399 4.769 -1.263) 11.509 12.174 ( -0.492 -12.518 3.409) 12.983 12.174 ( 0.492 12.518 3.409) 12.983 13.769 ( -1.674 -18.255 -8.020) 20.009 13.769 ( 1.674 18.255 -8.020) 20.009 15.398 ( -3.609 -4.826 -0.260) 6.032 15.398 ( 3.609 4.826 -0.260) 6.032 17.144 ( -0.055 -4.909 -15.400) 16.163 17.144 ( 0.055 4.909 -15.400) 16.163 19.235 ( -1.685 -10.600 -2.278) 10.972 19.235 ( 1.685 10.600 -2.278) 10.972 20.170 ( -6.701 -5.178 8.806) 12.217 20.170 ( 6.701 5.178 8.806) 12.217 39.084 ( -0.117 -4.533 10.025) 11.003 39.084 ( 0.117 4.533 10.025) 11.003 42.126 ( -0.472 -1.178 0.086) 1.272 42.126 ( 0.472 1.178 0.086) 1.272 56.235 ( -1.811 -3.479 -3.657) 5.363 56.235 ( 1.811 3.479 -3.657) 5.363 ======================= Grid point 988 (281/420) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.391 ( 0.000 0.000 50.594) 50.594 5.198 ( 0.000 0.000 57.383) 57.383 6.881 ( 0.000 0.000 -34.242) 34.242 7.156 ( 0.000 0.000 38.442) 38.442 8.219 ( 0.000 0.000 8.491) 8.491 10.294 ( 0.000 0.000 -17.115) 17.115 12.158 ( 0.000 0.000 3.294) 3.294 12.174 ( 0.000 0.000 2.635) 2.635 13.194 ( 0.000 0.000 1.580) 1.580 13.551 ( 0.000 0.000 3.105) 3.105 15.366 ( 0.000 0.000 6.881) 6.881 15.808 ( 0.000 0.000 -0.833) 0.833 15.830 ( 0.000 0.000 -7.981) 7.981 16.205 ( 0.000 0.000 -0.489) 0.489 18.824 ( 0.000 0.000 1.058) 1.058 19.238 ( 0.000 0.000 -14.307) 14.307 21.870 ( 0.000 0.000 1.940) 1.940 22.063 ( 0.000 0.000 -7.149) 7.149 36.865 ( 0.000 0.000 6.780) 6.780 37.308 ( 0.000 0.000 -7.544) 7.544 41.917 ( 0.000 0.000 23.651) 23.651 43.425 ( 0.000 0.000 -24.288) 24.288 58.913 ( 0.000 0.000 12.301) 12.301 60.019 ( 0.000 0.000 -24.137) 24.137 ======================= Grid point 989 (282/420) ======================= q-point: ( 0.06 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.716 ( 30.547 0.000 48.357) 57.197 5.283 ( 8.907 0.000 55.174) 55.888 7.146 ( 25.745 0.000 -33.968) 42.622 7.217 ( 6.685 0.000 30.084) 30.818 8.289 ( 8.137 0.000 15.775) 17.750 10.332 ( 4.509 0.000 -15.752) 16.385 12.254 ( 8.883 0.000 3.305) 9.478 12.278 ( 9.568 0.000 1.810) 9.738 13.203 ( 0.769 0.000 2.200) 2.330 13.574 ( 2.619 0.000 2.530) 3.641 15.064 ( -22.197 0.000 8.370) 23.723 15.409 ( -19.685 0.000 -8.899) 21.603 16.229 ( 19.816 0.000 -0.527) 19.823 16.454 ( 17.680 0.000 -1.296) 17.727 18.885 ( 5.831 0.000 0.877) 5.896 19.236 ( -0.104 0.000 -12.990) 12.990 21.810 ( -6.001 0.000 1.703) 6.238 22.008 ( -5.459 0.000 -7.493) 9.271 36.916 ( 5.124 0.000 6.801) 8.515 37.387 ( 7.796 0.000 -8.893) 11.826 41.918 ( 0.135 0.000 23.146) 23.146 43.381 ( -4.416 0.000 -23.221) 23.637 58.734 ( -17.993 0.000 10.778) 20.974 59.624 ( -38.486 0.000 -16.140) 41.733 ======================= Grid point 990 (283/420) ======================= q-point: ( 0.11 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.428 ( 38.261 0.000 46.052) 59.873 5.559 ( 19.462 0.000 49.598) 53.279 7.437 ( 15.940 0.000 8.739) 18.179 7.789 ( 36.696 0.000 -33.775) 49.873 8.602 ( 25.796 0.000 31.646) 40.828 10.510 ( 15.056 0.000 -12.380) 19.493 12.447 ( 9.139 0.000 3.932) 9.949 12.481 ( 9.184 0.000 0.333) 9.190 13.202 ( -1.870 0.000 4.724) 5.080 13.666 ( 6.856 0.000 -0.842) 6.908 14.721 ( -9.295 0.000 8.039) 12.290 15.079 ( -13.002 0.000 -11.315) 17.236 16.572 ( 14.661 0.000 1.363) 14.724 16.743 ( 10.873 0.000 -1.590) 10.988 19.027 ( 7.866 0.000 1.835) 8.077 19.238 ( 0.432 0.000 -9.015) 9.026 21.639 ( -11.370 0.000 1.036) 11.418 21.860 ( -9.290 0.000 -8.854) 12.833 37.059 ( 9.378 0.000 6.771) 11.567 37.592 ( 12.572 0.000 -11.708) 17.180 41.923 ( 0.357 0.000 21.700) 21.703 43.260 ( -7.706 0.000 -20.488) 21.890 58.231 ( -32.702 0.000 6.881) 33.418 58.633 ( -59.424 0.000 -0.393) 59.425 ======================= Grid point 991 (284/420) ======================= q-point: ( 0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.041 ( 29.556 0.000 42.527) 51.789 6.120 ( 32.115 0.000 44.923) 55.222 7.813 ( 21.549 0.000 -8.183) 23.050 8.456 ( 29.124 0.000 -32.743) 43.822 9.342 ( 49.277 0.000 39.582) 63.206 10.965 ( 31.538 0.000 -9.243) 32.865 12.564 ( 2.573 0.000 5.055) 5.672 12.580 ( -0.019 0.000 0.818) 0.818 13.104 ( -7.221 0.000 6.524) 9.732 13.808 ( 5.831 0.000 -10.977) 12.429 14.774 ( 14.180 0.000 4.376) 14.840 14.966 ( 3.468 0.000 -6.677) 7.524 16.785 ( 6.824 0.000 0.782) 6.869 16.876 ( 3.035 0.000 -1.491) 3.381 19.161 ( 5.232 0.000 5.637) 7.691 19.257 ( 1.514 0.000 -2.709) 3.104 21.373 ( -15.541 0.000 0.033) 15.541 21.658 ( -11.088 0.000 -11.447) 15.936 37.273 ( 12.176 0.000 6.477) 13.791 37.854 ( 13.684 0.000 -13.918) 19.518 41.933 ( 0.723 0.000 19.508) 19.521 43.090 ( -9.395 0.000 -17.028) 19.448 57.417 ( -62.571 0.000 11.287) 63.581 57.490 ( -42.042 0.000 2.159) 42.097 ======================= Grid point 992 (285/420) ======================= q-point: ( 0.22 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.694 ( 36.472 0.000 35.506) 50.901 6.710 ( 29.031 0.000 40.791) 50.067 8.262 ( 24.149 0.000 -11.754) 26.858 8.901 ( 17.111 0.000 -28.835) 33.529 10.437 ( 59.324 0.000 35.260) 69.011 11.643 ( 31.704 0.000 -7.042) 32.477 12.471 ( -9.658 0.000 6.153) 11.451 12.594 ( 3.620 0.000 2.737) 4.538 12.993 ( -3.150 0.000 1.221) 3.378 13.866 ( 2.000 0.000 -21.383) 21.476 15.191 ( 26.068 0.000 2.094) 26.152 15.239 ( 22.868 0.000 0.768) 22.881 16.835 ( -1.477 0.000 -0.892) 1.725 16.877 ( -2.549 0.000 -1.488) 2.952 19.222 ( 1.111 0.000 10.808) 10.865 19.293 ( 1.869 0.000 4.665) 5.025 21.042 ( -18.037 0.000 -1.232) 18.079 21.433 ( -11.888 0.000 -14.342) 18.628 37.525 ( 13.334 0.000 5.714) 14.507 38.110 ( 12.173 0.000 -14.584) 18.997 41.952 ( 1.236 0.000 16.826) 16.871 42.902 ( -9.644 0.000 -13.506) 16.596 56.248 ( -56.006 0.000 15.794) 58.190 56.625 ( -45.488 0.000 -1.878) 45.526 ======================= Grid point 993 (286/420) ======================= q-point: ( 0.28 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.276 ( 29.098 0.000 34.316) 44.992 7.440 ( 39.175 0.000 29.184) 48.850 8.751 ( 25.543 0.000 -10.635) 27.668 9.170 ( 11.389 0.000 -23.296) 25.931 11.451 ( 33.086 0.000 20.454) 38.898 11.919 ( -3.603 0.000 -0.877) 3.708 12.372 ( 9.306 0.000 15.065) 17.707 12.813 ( 13.880 0.000 -9.432) 16.781 12.975 ( 1.579 0.000 -1.992) 2.542 14.033 ( 19.111 0.000 -20.474) 28.007 15.720 ( 26.435 0.000 0.913) 26.450 15.778 ( 30.476 0.000 1.652) 30.521 16.743 ( -7.252 0.000 -1.256) 7.360 16.796 ( -4.918 0.000 -0.719) 4.971 19.218 ( -1.029 0.000 14.299) 14.336 19.316 ( 0.122 0.000 11.679) 11.680 20.682 ( -18.425 0.000 -2.791) 18.635 21.189 ( -13.290 0.000 -15.955) 20.765 37.785 ( 13.019 0.000 4.382) 13.737 38.321 ( 9.251 0.000 -13.858) 16.662 41.982 ( 1.847 0.000 13.908) 14.030 42.719 ( -8.891 0.000 -10.137) 13.483 55.251 ( -45.542 0.000 15.329) 48.052 55.746 ( -43.636 0.000 -4.347) 43.852 ======================= Grid point 994 (287/420) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.850 ( 29.557 0.000 27.265) 40.212 8.200 ( 37.948 0.000 23.554) 44.663 9.242 ( 24.095 0.000 -8.204) 25.453 9.369 ( 9.285 0.000 -16.954) 19.330 11.527 ( -12.719 0.000 4.412) 13.462 11.691 ( -16.683 0.000 -1.633) 16.763 12.770 ( 8.305 0.000 -2.722) 8.740 12.928 ( -1.146 0.000 -15.961) 16.002 13.285 ( 39.722 0.000 21.639) 45.234 14.594 ( 33.233 0.000 -13.702) 35.947 16.147 ( 14.278 0.000 -1.838) 14.396 16.328 ( 16.942 0.000 -8.640) 19.018 16.637 ( 5.269 0.000 6.977) 8.743 16.750 ( 3.236 0.000 2.920) 4.358 19.201 ( -0.332 0.000 14.584) 14.587 19.284 ( -3.510 0.000 17.758) 18.102 20.338 ( -16.289 0.000 -4.611) 16.929 20.904 ( -16.011 0.000 -15.495) 22.281 38.027 ( 11.595 0.000 2.508) 11.864 38.469 ( 5.755 0.000 -12.219) 13.507 42.024 ( 2.475 0.000 10.944) 11.220 42.557 ( -7.617 0.000 -6.903) 10.279 54.476 ( -33.596 0.000 12.434) 35.823 54.946 ( -37.576 0.000 -5.030) 37.911 ======================= Grid point 995 (288/420) ======================= q-point: ( 0.39 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.425 ( 28.941 0.000 20.840) 35.664 8.901 ( 33.074 0.000 18.627) 37.959 9.530 ( 6.787 0.000 -9.579) 11.740 9.668 ( 18.696 0.000 -4.771) 19.295 11.220 ( -16.766 0.000 -0.188) 16.767 11.327 ( -19.505 0.000 -5.035) 20.144 12.784 ( -2.434 0.000 -11.263) 11.523 12.849 ( -5.521 0.000 -16.166) 17.083 14.149 ( 41.953 0.000 23.529) 48.101 15.162 ( 21.979 0.000 -6.780) 23.001 16.239 ( -1.474 0.000 -4.418) 4.657 16.291 ( -7.327 0.000 -8.556) 11.264 16.977 ( 17.024 0.000 6.772) 18.321 17.097 ( 27.979 0.000 3.284) 28.171 19.188 ( -5.459 0.000 21.587) 22.267 19.213 ( 1.550 0.000 12.481) 12.577 20.060 ( -11.875 0.000 -5.840) 13.234 20.559 ( -19.133 0.000 -13.178) 23.232 38.234 ( 9.469 0.000 0.214) 9.472 38.546 ( 2.202 0.000 -10.057) 10.295 42.078 ( 3.061 0.000 8.021) 8.585 42.422 ( -6.253 0.000 -3.764) 7.298 53.941 ( -20.968 0.000 8.641) 22.679 54.296 ( -28.452 0.000 -4.119) 28.749 ======================= Grid point 996 (289/420) ======================= q-point: ( 0.44 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.964 ( 25.391 0.000 15.620) 29.811 9.438 ( 16.532 0.000 14.050) 21.696 9.634 ( 7.223 0.000 -0.344) 7.231 9.936 ( 7.462 0.000 0.570) 7.484 10.918 ( -12.732 0.000 -5.790) 13.986 10.974 ( -15.161 0.000 -9.183) 17.725 12.727 ( -2.780 0.000 -13.236) 13.524 12.747 ( -4.296 0.000 -15.212) 15.807 14.840 ( 27.972 0.000 17.505) 32.998 15.388 ( 0.916 0.000 2.002) 2.202 16.205 ( -1.066 0.000 -7.998) 8.069 16.207 ( -0.733 0.000 -5.168) 5.220 17.312 ( 15.983 0.000 7.769) 17.771 17.523 ( 12.710 0.000 1.622) 12.813 19.133 ( 1.455 0.000 19.272) 19.327 19.249 ( 1.455 0.000 10.275) 10.378 19.884 ( -5.598 0.000 -5.708) 7.995 20.175 ( -19.150 0.000 -9.588) 21.416 38.395 ( 6.948 0.000 -2.338) 7.331 38.556 ( -1.133 0.000 -7.600) 7.684 42.144 ( 3.614 0.000 5.139) 6.283 42.311 ( -5.096 0.000 -0.713) 5.145 53.658 ( -8.014 0.000 4.722) 9.302 53.846 ( -17.281 0.000 -1.963) 17.392 ======================= Grid point 997 (290/420) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.376 ( -15.122 0.000 11.023) 18.714 9.376 ( 15.122 0.000 11.023) 18.714 9.905 ( -8.226 0.000 6.809) 10.678 9.905 ( 8.226 0.000 6.809) 10.678 10.796 ( -1.266 0.000 -11.176) 11.247 10.796 ( 1.266 0.000 -11.176) 11.247 12.699 ( -0.007 0.000 -14.314) 14.314 12.699 ( 0.007 0.000 -14.314) 14.314 15.247 ( -7.897 0.000 9.977) 12.724 15.247 ( 7.897 0.000 9.977) 12.724 16.206 ( -0.000 0.000 -6.610) 6.610 16.206 ( 0.000 0.000 -6.610) 6.610 17.558 ( -1.778 0.000 6.058) 6.314 17.558 ( 1.778 0.000 6.058) 6.314 19.225 ( -2.259 0.000 11.946) 12.158 19.225 ( 2.259 0.000 11.946) 12.158 19.888 ( -6.360 0.000 -6.305) 8.956 19.888 ( 6.360 0.000 -6.305) 8.956 38.504 ( -1.619 0.000 -4.988) 5.245 38.504 ( 1.619 0.000 -4.988) 5.245 42.220 ( -3.652 0.000 2.246) 4.287 42.220 ( 3.652 0.000 2.246) 4.287 53.628 ( -2.556 0.000 1.087) 2.777 53.628 ( 2.556 0.000 1.087) 2.777 ======================= Grid point 1007 (291/420) ======================= q-point: ( 0.00 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.523 ( 0.000 12.937 48.168) 49.875 5.202 ( 0.000 2.236 55.891) 55.936 6.910 ( 0.000 2.871 -32.770) 32.895 7.372 ( 0.000 15.645 15.026) 21.692 8.334 ( 0.000 16.129 28.702) 32.924 10.552 ( 0.000 23.872 -18.845) 30.414 12.085 ( 0.000 -5.597 4.018) 6.889 12.178 ( 0.000 -1.284 1.379) 1.884 12.937 ( 0.000 -21.722 6.563) 22.692 13.509 ( 0.000 -4.923 0.197) 4.927 15.379 ( 0.000 1.319 6.618) 6.748 15.734 ( 0.000 -4.139 7.534) 8.597 15.823 ( 0.000 -0.648 -7.623) 7.651 16.384 ( 0.000 11.342 -9.843) 15.018 18.763 ( 0.000 -1.593 5.520) 5.745 19.519 ( 0.000 22.439 -15.894) 27.497 21.757 ( 0.000 -9.461 4.723) 10.574 22.095 ( 0.000 1.792 -11.311) 11.452 36.876 ( 0.000 1.091 6.580) 6.669 37.305 ( 0.000 -0.303 -7.292) 7.298 41.957 ( 0.000 3.667 19.677) 20.016 43.370 ( 0.000 -5.378 -23.767) 24.368 58.597 ( 0.000 -19.774 25.261) 32.080 60.505 ( 0.000 35.190 -44.428) 56.676 ======================= Grid point 1008 (292/420) ======================= q-point: ( 0.06 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.838 ( 29.498 12.047 46.238) 56.154 5.299 ( 10.221 3.005 53.571) 54.620 7.172 ( 25.232 2.759 -31.664) 40.581 7.403 ( 3.911 13.441 9.094) 16.693 8.426 ( 10.042 17.176 32.566) 38.163 10.554 ( 1.147 20.510 -16.887) 26.592 12.181 ( 7.958 -5.930 4.141) 10.753 12.273 ( 9.154 -1.960 0.765) 9.393 12.976 ( 4.072 -18.705 5.663) 19.963 13.516 ( 1.081 -5.986 0.372) 6.094 15.144 ( -17.625 6.710 7.928) 20.458 15.450 ( -15.643 3.376 -5.596) 16.953 16.153 ( 18.418 -5.760 2.108) 19.413 16.542 ( 12.333 5.274 -7.717) 15.474 18.810 ( 4.537 -2.395 5.279) 7.361 19.509 ( -0.975 21.220 -14.444) 25.688 21.691 ( -6.707 -10.004 4.638) 12.906 22.042 ( -5.263 1.778 -11.493) 12.765 36.928 ( 5.308 1.273 6.602) 8.566 37.382 ( 7.662 -0.445 -8.400) 11.378 41.957 ( -0.010 3.543 19.316) 19.639 43.328 ( -4.176 -5.143 -22.773) 23.717 58.410 ( -18.867 -19.101 24.377) 36.264 60.134 ( -36.206 36.080 -37.225) 63.232 ======================= Grid point 1009 (293/420) ======================= q-point: ( 0.11 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.475 ( 28.543 5.628 46.390) 54.757 5.662 ( 30.222 10.057 45.388) 55.449 7.539 ( 11.847 7.954 -1.048) 14.308 7.820 ( 36.569 2.990 -32.684) 49.138 8.772 ( 26.831 18.049 38.846) 50.544 10.651 ( 10.354 13.152 -12.687) 21.004 12.313 ( 4.508 -11.059 5.463) 13.133 12.481 ( 9.741 -2.161 -0.469) 9.989 13.075 ( 4.498 -9.337 4.480) 11.291 13.589 ( 7.680 -6.986 -1.022) 10.432 14.867 ( -8.048 11.944 7.477) 16.228 15.176 ( -11.367 8.593 -9.268) 16.998 16.472 ( 13.629 -8.419 3.317) 16.359 16.758 ( 8.591 -0.340 -5.353) 10.128 18.926 ( 6.857 -3.882 5.356) 9.528 19.482 ( -1.817 17.576 -10.198) 20.401 21.501 ( -12.507 -11.461 4.359) 17.515 21.900 ( -8.881 1.914 -12.329) 15.315 37.077 ( 9.680 1.748 6.606) 11.849 37.586 ( 12.574 -0.590 -10.751) 16.554 41.958 ( 0.093 3.189 18.272) 18.549 43.214 ( -7.317 -4.530 -20.200) 21.957 57.878 ( -34.859 -16.490 22.474) 44.633 59.203 ( -55.600 36.802 -23.183) 70.592 ======================= Grid point 1010 (294/420) ======================= q-point: ( 0.17 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.009 ( 29.490 1.674 41.941) 51.298 6.318 ( 32.231 14.926 41.757) 54.820 7.847 ( 19.042 2.879 -10.230) 21.807 8.497 ( 30.192 4.181 -30.869) 43.381 9.504 ( 47.421 15.632 38.490) 63.044 11.006 ( 26.123 3.738 -8.590) 27.752 12.356 ( 0.392 -14.934 5.944) 16.078 12.573 ( -1.099 -4.597 -0.083) 4.728 13.110 ( -0.579 1.865 5.536) 5.870 13.806 ( 11.987 -1.513 -9.301) 15.247 14.892 ( 10.649 10.278 4.602) 15.499 15.061 ( 1.483 9.041 -6.298) 11.118 16.666 ( 5.841 -10.323 2.734) 12.172 16.866 ( 2.750 -2.235 -3.911) 5.277 19.053 ( 5.395 -4.833 6.934) 10.027 19.444 ( -1.731 12.435 -3.904) 13.148 21.213 ( -16.591 -13.249 3.834) 21.576 21.707 ( -10.687 2.334 -13.941) 17.720 37.297 ( 12.538 2.393 6.411) 14.284 37.851 ( 14.016 -0.282 -12.639) 18.875 41.962 ( 0.381 2.661 16.654) 16.869 43.052 ( -8.963 -3.732 -16.879) 19.472 57.083 ( -45.227 -10.324 20.838) 50.855 58.072 ( -58.035 33.841 -13.337) 68.492 ======================= Grid point 1011 (295/420) ======================= q-point: ( 0.22 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.643 ( 34.634 0.706 35.670) 49.723 6.909 ( 29.240 14.120 37.838) 49.860 8.259 ( 22.681 -0.187 -11.747) 25.543 8.962 ( 17.852 6.091 -27.818) 33.611 10.547 ( 55.968 10.176 32.135) 65.335 11.574 ( 26.169 -6.883 -4.683) 27.461 12.337 ( -4.326 -11.653 3.904) 13.029 12.525 ( 3.116 -5.226 2.131) 6.446 13.086 ( -1.052 8.580 3.049) 9.166 13.973 ( 5.369 7.649 -19.689) 21.795 15.217 ( 20.781 3.090 2.636) 21.175 15.298 ( 22.098 5.440 0.598) 22.765 16.695 ( -2.507 -11.594 1.924) 12.017 16.878 ( -1.461 -1.934 -3.831) 4.533 19.110 ( 0.047 -6.291 9.922) 11.749 19.432 ( 0.826 8.734 2.557) 9.138 20.865 ( -18.649 -14.595 3.040) 23.876 21.488 ( -11.696 2.814 -15.526) 19.642 37.556 ( 13.699 3.101 5.819) 15.203 38.117 ( 12.847 0.662 -13.228) 18.452 41.974 ( 0.860 2.026 14.618) 14.783 42.872 ( -9.239 -2.922 -13.430) 16.561 56.165 ( -47.141 -1.418 19.229) 50.932 56.979 ( -53.209 27.561 -9.619) 60.690 ======================= Grid point 1012 (296/420) ======================= q-point: ( 0.28 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.319 ( 33.014 3.400 31.355) 45.658 7.506 ( 32.990 7.483 30.467) 45.526 8.721 ( 24.152 -2.624 -10.137) 26.324 9.238 ( 11.391 6.629 -22.930) 26.448 11.432 ( 21.868 -3.443 14.420) 26.420 11.853 ( 1.299 -6.163 -1.266) 6.425 12.310 ( 16.655 -3.426 16.892) 23.968 12.757 ( 11.766 -2.670 -3.445) 12.547 13.125 ( 6.684 10.816 -3.376) 13.155 14.130 ( 14.829 8.291 -19.924) 26.184 15.668 ( 23.064 -4.146 2.838) 23.605 15.806 ( 27.803 1.776 0.207) 27.860 16.607 ( -4.994 -10.499 2.532) 11.898 16.812 ( -4.763 -0.994 -3.949) 6.267 19.073 ( -2.838 -8.657 13.133) 15.983 19.461 ( 1.346 8.194 7.435) 11.146 20.497 ( -18.570 -15.044 1.866) 23.971 21.246 ( -13.217 3.180 -16.005) 20.999 37.823 ( 13.301 3.745 4.733) 14.606 38.344 ( 10.183 2.159 -12.603) 16.345 41.996 ( 1.475 1.353 12.328) 12.489 42.697 ( -8.547 -2.199 -10.085) 13.401 55.290 ( -41.358 5.937 16.574) 44.949 56.000 ( -46.728 22.529 -8.465) 52.562 ======================= Grid point 1013 (297/420) ======================= q-point: ( 0.33 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.919 ( 29.045 6.414 26.646) 39.934 8.196 ( 36.148 -0.093 23.439) 43.082 9.182 ( 22.142 -4.797 -7.343) 23.816 9.436 ( 9.400 5.763 -17.048) 20.303 11.438 ( -10.960 -8.579 3.644) 14.387 11.663 ( -14.925 -2.670 -3.214) 15.499 12.704 ( 1.658 -1.458 -1.563) 2.705 13.077 ( 15.693 8.339 -7.570) 19.316 13.348 ( 29.151 6.532 14.602) 33.251 14.599 ( 29.551 0.133 -12.278) 32.001 15.994 ( 7.260 -13.087 0.350) 14.971 16.284 ( 15.041 -5.933 -7.871) 17.983 16.594 ( 6.483 -2.539 5.607) 8.940 16.782 ( 7.830 1.524 1.459) 8.110 19.028 ( -1.367 -9.604 14.916) 17.793 19.461 ( -1.747 9.015 11.312) 14.570 20.156 ( -15.795 -14.444 -0.191) 21.404 20.963 ( -15.812 3.585 -14.968) 22.066 38.069 ( 11.663 4.141 3.183) 12.779 38.511 ( 6.866 4.033 -11.170) 13.718 42.032 ( 2.132 0.700 9.910) 10.161 42.541 ( -7.338 -1.600 -6.865) 10.175 54.574 ( -31.491 10.499 12.946) 35.630 55.162 ( -38.660 20.130 -7.383) 44.208 ======================= Grid point 1014 (298/420) ======================= q-point: ( 0.39 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.471 ( 27.383 4.264 20.705) 34.593 8.876 ( 32.590 -2.390 18.689) 37.645 9.513 ( 9.037 -2.373 -5.658) 10.923 9.650 ( 14.002 -0.520 -7.853) 16.062 11.170 ( -14.749 -4.450 -0.200) 15.407 11.351 ( -16.359 1.880 -5.350) 17.315 12.646 ( -4.857 -4.625 -6.004) 9.002 13.087 ( -4.669 14.253 -20.258) 25.206 14.144 ( 39.343 -1.396 22.922) 45.555 15.118 ( 20.546 -5.326 -4.552) 21.708 16.017 ( -0.582 -14.419 -1.879) 14.553 16.289 ( -7.119 -7.058 -12.103) 15.716 16.857 ( 15.924 -6.152 9.696) 19.633 17.178 ( 25.752 3.290 0.160) 25.962 19.028 ( 1.372 -7.625 15.740) 17.544 19.389 ( -5.175 7.564 13.896) 16.646 19.902 ( -9.573 -11.366 -2.992) 15.159 20.625 ( -18.712 4.240 -12.657) 22.985 38.273 ( 9.080 4.026 1.318) 10.020 38.612 ( 3.523 6.150 -9.325) 11.713 42.079 ( 2.747 0.096 7.427) 7.919 42.411 ( -6.008 -1.105 -3.763) 7.175 54.069 ( -19.941 13.112 8.924) 25.479 54.500 ( -28.666 19.371 -5.586) 35.046 ======================= Grid point 1015 (299/420) ======================= q-point: ( 0.44 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.977 ( 23.788 0.903 15.058) 28.168 9.429 ( 21.017 -1.714 15.569) 26.211 9.581 ( 0.434 -3.743 0.320) 3.782 9.881 ( 7.064 -4.842 -0.003) 8.564 10.918 ( -9.500 0.782 -5.293) 10.903 11.049 ( -13.671 5.898 -8.944) 17.369 12.553 ( -4.003 -6.410 -7.131) 10.391 12.992 ( -4.188 13.691 -20.485) 24.992 14.752 ( 21.514 -10.341 16.740) 29.155 15.362 ( 5.536 -3.613 3.590) 7.522 16.051 ( 3.459 -9.616 -5.049) 11.398 16.161 ( -4.654 -8.761 -9.703) 13.876 17.124 ( 10.450 -11.485 11.413) 19.271 17.614 ( 16.406 3.128 -3.227) 17.010 19.080 ( 3.852 -3.448 16.206) 17.010 19.289 ( -4.350 0.285 12.807) 13.528 19.799 ( -0.459 -4.022 -4.715) 6.214 20.246 ( -19.300 4.808 -9.538) 22.058 38.417 ( 5.471 3.082 -0.544) 6.303 38.653 ( 0.859 8.467 -7.472) 11.325 42.138 ( 3.232 -0.509 4.899) 5.891 42.305 ( -4.757 -0.600 -0.822) 4.864 53.796 ( -8.166 14.232 5.032) 17.162 54.053 ( -16.676 19.522 -3.101) 25.862 ======================= Grid point 1016 (300/420) ======================= q-point: (-0.50 0.08 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.343 ( 0.000 -3.607 6.857) 7.748 9.400 ( -0.000 1.781 12.701) 12.825 9.753 ( 0.000 -8.029 12.866) 15.166 9.910 ( -0.000 -3.927 3.635) 5.351 10.839 ( 0.000 4.158 -8.938) 9.858 10.881 ( 0.000 7.236 -11.611) 13.682 12.510 ( 0.000 -7.020 -7.449) 10.235 12.948 ( 0.000 13.317 -20.422) 24.380 14.962 ( 0.000 -19.538 12.334) 23.105 15.405 ( 0.000 4.196 7.420) 8.524 16.094 ( 0.000 -12.629 -10.174) 16.217 16.119 ( 0.000 -5.646 -4.087) 6.970 17.233 ( 0.000 -14.907 12.513) 19.462 17.775 ( 0.000 5.000 -3.381) 6.036 19.143 ( 0.000 -2.221 12.929) 13.118 19.234 ( 0.000 -5.059 14.143) 15.021 19.893 ( -0.000 4.383 -7.694) 8.855 19.940 ( 0.000 1.902 -5.604) 5.918 38.474 ( 0.000 2.031 -1.513) 2.533 38.658 ( 0.000 10.006 -6.506) 11.935 42.191 ( 0.000 -1.610 2.851) 3.274 42.238 ( -0.000 0.461 1.373) 1.449 53.727 ( 0.000 13.837 2.664) 14.091 53.877 ( 0.000 20.371 -1.207) 20.406 ======================= Grid point 1026 (301/420) ======================= q-point: ( 0.00 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.883 ( 0.000 22.392 41.964) 47.564 5.365 ( 0.000 15.308 49.254) 51.578 6.986 ( 0.000 4.484 -28.497) 28.848 7.583 ( 0.000 6.277 -15.223) 16.466 8.969 ( 0.000 44.247 51.505) 67.901 11.131 ( 0.000 30.965 -18.962) 36.309 11.949 ( 0.000 -7.780 4.264) 8.872 12.119 ( 0.000 -4.583 -0.438) 4.604 12.472 ( 0.000 -22.100 11.110) 24.736 13.386 ( 0.000 -5.810 -1.642) 6.038 15.416 ( 0.000 2.274 5.896) 6.319 15.660 ( 0.000 -4.134 13.651) 14.263 15.805 ( 0.000 -1.165 -6.630) 6.732 16.497 ( 0.000 -1.279 -15.242) 15.295 18.834 ( 0.000 8.745 13.015) 15.680 19.962 ( 0.000 18.659 -14.441) 23.595 21.538 ( 0.000 -11.850 7.924) 14.256 22.122 ( 0.000 1.470 -18.400) 18.458 36.907 ( 0.000 1.990 5.999) 6.321 37.295 ( 0.000 -0.626 -6.567) 6.597 42.041 ( 0.000 4.270 10.886) 11.694 43.219 ( 0.000 -9.456 -22.595) 24.494 58.339 ( 0.000 -5.123 33.725) 34.112 61.107 ( 0.000 21.677 -67.042) 70.459 ======================= Grid point 1027 (302/420) ======================= q-point: ( 0.06 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.180 ( 27.790 21.675 40.358) 53.581 5.464 ( 10.751 14.541 47.379) 50.713 7.245 ( 25.137 4.220 -27.860) 37.761 7.600 ( 2.259 6.709 -14.929) 16.523 9.039 ( 7.718 41.430 49.458) 64.978 11.044 ( -6.476 25.402 -16.328) 30.883 12.025 ( 2.929 -9.920 7.043) 12.514 12.195 ( 9.816 -5.325 -0.023) 11.167 12.617 ( 13.826 -14.297 5.511) 20.638 13.375 ( -0.386 -6.469 -1.064) 6.567 15.277 ( -10.990 5.776 7.334) 14.420 15.514 ( -8.267 2.452 0.453) 8.635 16.026 ( 13.989 -6.797 2.876) 15.816 16.567 ( 6.091 -3.827 -13.080) 14.928 18.861 ( 2.705 7.585 12.577) 14.934 19.927 ( -3.547 17.797 -13.339) 22.522 21.459 ( -7.943 -12.532 8.114) 16.911 22.062 ( -5.870 0.710 -18.051) 18.994 36.965 ( 5.795 2.290 6.050) 8.684 37.370 ( 7.433 -0.745 -7.184) 10.364 42.038 ( -0.262 4.166 10.799) 11.578 43.184 ( -3.556 -9.080 -21.756) 23.841 58.174 ( -16.515 -3.837 32.556) 36.706 60.760 ( -34.114 23.499 -60.327) 73.180 ======================= Grid point 1028 (303/420) ======================= q-point: ( 0.11 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.683 ( 20.446 15.649 42.065) 49.320 5.947 ( 38.202 18.095 38.502) 57.177 7.681 ( 8.656 6.133 -12.595) 16.467 7.900 ( 37.043 4.716 -28.611) 47.043 9.311 ( 21.414 33.789 43.696) 59.242 10.967 ( 0.254 16.579 -12.591) 20.820 12.032 ( -0.831 -15.772 10.265) 18.836 12.425 ( 9.858 -2.293 -0.175) 10.123 12.929 ( 15.173 -5.083 0.375) 16.007 13.435 ( 8.964 -7.007 -0.947) 11.417 15.096 ( -5.803 9.599 6.798) 13.116 15.366 ( -6.323 9.363 -4.333) 12.100 16.271 ( 10.299 -11.294 4.723) 15.999 16.691 ( 5.772 -6.606 -9.778) 13.136 18.932 ( 4.125 4.332 11.468) 12.934 19.827 ( -6.367 15.373 -10.371) 19.607 21.236 ( -14.487 -14.341 8.742) 22.180 21.908 ( -9.377 -0.851 -17.497) 19.870 37.126 ( 10.498 3.092 6.175) 12.566 37.572 ( 12.667 -0.793 -8.517) 15.285 42.032 ( -0.383 3.856 10.530) 11.220 43.086 ( -6.290 -8.078 -19.522) 22.044 57.713 ( -29.924 -0.134 29.510) 42.028 59.864 ( -54.757 26.953 -45.546) 76.153 ======================= Grid point 1029 (304/420) ======================= q-point: ( 0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.140 ( 26.851 11.441 37.275) 47.342 6.675 ( 33.712 20.381 36.058) 53.405 7.916 ( 15.503 4.254 -12.326) 20.258 8.612 ( 32.890 6.723 -26.467) 42.749 9.911 ( 39.565 22.988 33.980) 56.996 11.091 ( 12.513 4.331 -8.379) 15.670 12.023 ( 0.599 -16.428 9.615) 19.044 12.502 ( -1.361 -0.924 1.506) 2.230 13.158 ( 8.567 1.831 1.542) 8.895 13.739 ( 19.185 -4.307 -6.596) 20.740 15.095 ( 6.026 8.493 4.633) 11.398 15.298 ( 0.586 13.489 -3.821) 14.032 16.408 ( 3.388 -14.888 5.189) 16.127 16.776 ( 2.867 -6.644 -7.832) 10.663 19.001 ( 2.265 -0.416 10.270) 10.525 19.695 ( -6.539 11.962 -6.628) 15.158 20.912 ( -18.114 -16.112 9.866) 26.173 21.709 ( -10.711 -2.030 -17.197) 20.361 37.364 ( 13.524 4.201 6.248) 15.479 37.846 ( 14.857 -0.236 -9.592) 17.686 42.025 ( -0.270 3.352 10.060) 10.607 42.946 ( -7.795 -6.736 -16.502) 19.454 57.039 ( -37.947 5.451 25.549) 46.070 58.719 ( -60.233 29.043 -31.557) 73.941 ======================= Grid point 1030 (305/420) ======================= q-point: ( 0.22 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.725 ( 32.518 7.446 31.877) 46.141 7.256 ( 26.601 20.045 33.463) 47.214 8.266 ( 19.723 1.591 -10.383) 22.346 9.130 ( 19.930 10.105 -24.420) 33.101 10.773 ( 43.878 9.898 21.108) 49.687 11.393 ( 15.705 -10.289 -1.687) 18.851 12.082 ( 5.288 -10.632 6.451) 13.514 12.483 ( 3.949 0.794 5.131) 6.523 13.268 ( 3.283 8.545 1.864) 9.342 14.073 ( 13.523 1.651 -14.964) 20.237 15.294 ( 12.826 3.326 3.339) 13.664 15.454 ( 16.044 10.117 0.278) 18.969 16.409 ( -2.478 -16.117 5.498) 17.208 16.798 ( -0.847 -5.968 -7.780) 9.841 18.995 ( -3.049 -5.153 9.924) 11.591 19.600 ( -2.838 7.573 -4.136) 9.084 20.550 ( -18.350 -15.626 11.624) 26.759 21.493 ( -11.380 -2.376 -16.711) 20.358 37.643 ( 14.701 5.426 6.089) 16.811 38.136 ( 14.467 1.160 -9.854) 17.543 42.023 ( 0.095 2.679 9.371) 9.746 42.789 ( -8.126 -5.332 -13.213) 16.403 56.270 ( -39.624 11.835 21.373) 46.550 57.568 ( -56.472 29.298 -22.072) 67.340 ======================= Grid point 1031 (306/420) ======================= q-point: ( 0.28 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.389 ( 34.642 3.844 27.333) 44.294 7.751 ( 24.805 16.306 29.268) 41.687 8.671 ( 21.258 -1.603 -7.900) 22.735 9.422 ( 10.991 11.483 -21.204) 26.500 11.274 ( 4.819 -11.582 4.746) 13.413 11.678 ( 5.840 -11.187 -4.462) 13.385 12.349 ( 31.437 7.283 21.849) 38.971 12.698 ( 12.042 -3.845 2.651) 12.916 13.350 ( 7.067 11.408 -1.775) 13.537 14.289 ( 10.879 6.002 -17.231) 21.243 15.562 ( 12.370 -6.836 5.145) 15.041 15.839 ( 20.143 1.615 -0.645) 20.218 16.375 ( 1.741 -11.569 5.284) 12.837 16.748 ( -3.298 -5.239 -7.599) 9.801 18.910 ( -4.432 -7.519 10.909) 13.971 19.565 ( -1.715 0.702 -4.650) 5.006 20.215 ( -15.435 -10.407 14.200) 23.413 21.260 ( -12.623 -1.956 -15.507) 20.090 37.928 ( 14.136 6.582 5.596) 16.567 38.400 ( 12.372 3.277 -9.308) 15.826 42.030 ( 0.662 1.883 8.450) 8.682 42.634 ( -7.591 -4.052 -9.921) 13.132 55.527 ( -35.588 17.701 17.176) 43.300 56.535 ( -48.752 29.041 -16.205) 59.014 ======================= Grid point 1032 (307/420) ======================= q-point: ( 0.33 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.040 ( 30.437 2.896 24.396) 39.115 8.256 ( 27.814 8.642 23.123) 37.189 9.081 ( 20.129 -4.635 -4.605) 21.163 9.590 ( 6.655 9.734 -16.625) 20.382 11.220 ( -6.913 -12.078 3.126) 14.263 11.594 ( -9.241 -4.040 -6.174) 11.826 12.730 ( -2.051 2.252 1.715) 3.495 13.155 ( 32.334 -0.593 7.333) 33.161 13.537 ( 13.749 11.262 1.476) 17.834 14.576 ( 18.094 -2.961 -8.990) 20.420 15.694 ( 2.007 -15.921 3.408) 16.405 16.103 ( 4.109 -11.177 -5.652) 13.182 16.543 ( 12.274 -2.861 2.000) 12.760 16.787 ( 12.484 -1.068 -1.290) 12.596 18.858 ( -0.407 -7.178 11.672) 13.709 19.497 ( -5.713 -8.384 -4.611) 11.145 19.967 ( -9.514 0.018 14.903) 17.681 20.993 ( -14.818 -0.840 -13.550) 20.097 38.187 ( 12.105 7.472 4.790) 15.010 38.614 ( 9.343 5.807 -8.229) 13.738 42.050 ( 1.333 1.027 7.281) 7.473 42.495 ( -6.559 -2.978 -6.736) 9.862 54.904 ( -27.619 22.290 12.973) 37.789 55.672 ( -39.280 29.227 -12.085) 50.430 ======================= Grid point 1033 (308/420) ======================= q-point: ( 0.39 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.554 ( 23.010 1.978 20.005) 30.554 8.840 ( 30.240 0.749 18.457) 35.436 9.420 ( 12.954 -6.132 -0.008) 14.332 9.696 ( 4.765 5.212 -10.233) 12.433 11.064 ( -7.966 -5.530 0.955) 9.744 11.390 ( -11.101 1.949 -6.787) 13.156 12.625 ( -6.905 1.872 -0.227) 7.158 13.352 ( -2.564 10.919 -22.026) 24.717 14.044 ( 26.838 -9.183 20.387) 34.932 14.904 ( 13.867 -16.690 0.088) 21.699 15.754 ( 5.807 -11.275 -0.738) 12.704 16.041 ( -6.669 -14.989 -9.676) 19.047 16.777 ( 11.358 -2.643 6.415) 13.309 17.190 ( 23.477 -2.028 -3.041) 23.759 18.899 ( 4.355 -5.177 11.793) 13.596 19.351 ( -8.389 -11.481 1.877) 14.342 19.842 ( -3.551 6.671 8.832) 11.624 20.678 ( -17.289 0.958 -11.083) 20.558 38.394 ( 8.912 7.919 3.811) 12.516 38.764 ( 5.994 8.354 -6.956) 12.414 42.082 ( 1.985 0.166 5.845) 6.175 42.378 ( -5.345 -2.102 -3.734) 6.851 54.460 ( -17.594 25.499 8.835) 32.215 55.006 ( -28.538 29.835 -8.527) 42.157 ======================= Grid point 1034 (309/420) ======================= q-point: ( 0.44 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.959 ( 18.045 -4.067 13.137) 22.688 9.373 ( 22.515 -1.848 16.043) 27.708 9.524 ( -1.511 -3.197 4.387) 5.635 9.796 ( 3.921 -1.983 0.548) 4.428 10.946 ( -3.323 1.847 -3.346) 5.065 11.175 ( -10.318 6.316 -8.900) 15.018 12.498 ( -5.264 1.134 -1.461) 5.580 13.269 ( -4.255 13.727 -23.744) 27.755 14.376 ( 7.819 -26.927 15.157) 31.874 15.125 ( 8.432 -24.001 2.224) 25.536 15.865 ( 2.310 -7.463 -5.010) 9.281 15.973 ( 2.143 -7.441 -4.447) 8.929 16.954 ( 6.208 -5.593 9.905) 12.959 17.590 ( 15.642 -5.302 -8.155) 18.420 19.003 ( 5.183 -5.080 12.404) 14.371 19.205 ( -5.654 -5.983 9.558) 12.614 19.834 ( 3.428 6.582 0.869) 7.472 20.328 ( -17.974 3.432 -8.317) 20.100 38.529 ( 4.784 7.919 2.934) 9.706 38.849 ( 2.815 10.399 -5.870) 12.269 42.126 ( 2.374 -0.701 4.165) 4.845 42.287 ( -3.979 -1.299 -1.053) 4.317 54.218 ( -7.327 27.371 5.036) 28.779 54.566 ( -16.164 30.475 -5.214) 34.888 ======================= Grid point 1035 (310/420) ======================= q-point: (-0.50 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.188 ( 0.000 -11.437 5.594) 12.732 9.437 ( -0.000 1.049 10.951) 11.001 9.669 ( 0.000 -0.081 16.863) 16.863 9.795 ( -0.000 -6.082 5.153) 7.972 10.933 ( 0.000 4.973 -6.270) 8.002 11.044 ( 0.000 8.269 -10.523) 13.383 12.443 ( 0.000 0.777 -1.964) 2.112 13.223 ( 0.000 14.207 -23.878) 27.785 14.437 ( 0.000 -32.735 13.114) 35.264 15.207 ( 0.000 -28.954 0.077) 28.954 15.877 ( 0.000 -3.995 -4.304) 5.872 16.022 ( 0.000 -4.224 -2.307) 4.813 17.014 ( 0.000 -7.053 11.412) 13.416 17.750 ( 0.000 -6.729 -10.661) 12.607 19.056 ( 0.000 -10.712 13.470) 17.210 19.152 ( -0.000 2.659 12.488) 12.768 19.969 ( -0.000 1.524 -4.223) 4.490 20.041 ( 0.000 8.978 -5.541) 10.550 38.576 ( 0.000 7.815 2.562) 8.224 38.876 ( 0.000 11.230 -5.425) 12.471 42.159 ( 0.000 -1.518 2.899) 3.273 42.237 ( 0.000 -0.519 0.559) 0.763 54.154 ( 0.000 27.903 2.981) 28.061 54.400 ( 0.000 30.825 -3.338) 31.005 ======================= Grid point 1045 (311/420) ======================= q-point: ( 0.00 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.382 ( 0.000 26.898 33.966) 43.327 5.821 ( 0.000 29.833 38.438) 48.656 7.073 ( 0.000 3.726 -21.801) 22.117 7.704 ( 0.000 6.905 -18.596) 19.837 9.900 ( 0.000 44.789 46.563) 64.608 11.584 ( 0.000 8.059 0.932) 8.113 11.787 ( 0.000 -8.155 3.607) 8.917 12.002 ( 0.000 -6.928 -2.266) 7.289 12.198 ( 0.000 -0.944 -3.144) 3.283 13.366 ( 0.000 6.485 -0.477) 6.503 15.466 ( 0.000 2.687 4.875) 5.566 15.546 ( 0.000 -7.517 15.572) 17.292 15.778 ( 0.000 -1.474 -5.220) 5.424 16.344 ( 0.000 -12.814 -13.800) 18.832 19.079 ( 0.000 14.465 16.641) 22.049 20.169 ( 0.000 1.637 -6.899) 7.091 21.300 ( 0.000 -12.047 9.552) 15.375 22.188 ( 0.000 5.832 -23.576) 24.287 36.953 ( 0.000 2.536 5.103) 5.698 37.280 ( 0.000 -0.961 -5.473) 5.557 42.117 ( 0.000 3.278 1.802) 3.741 43.007 ( 0.000 -11.571 -21.385) 24.315 58.390 ( 0.000 9.763 29.306) 30.890 61.306 ( 0.000 -1.847 -73.632) 73.656 ======================= Grid point 1046 (312/420) ======================= q-point: ( 0.06 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.664 ( 27.207 25.821 32.506) 49.635 5.891 ( 7.341 28.071 37.345) 47.291 7.324 ( 24.451 3.293 -20.867) 32.313 7.731 ( 3.099 7.276 -18.044) 19.701 9.899 ( 0.770 40.533 43.313) 59.325 11.424 ( -10.827 10.572 -6.516) 16.475 11.805 ( -2.663 -10.467 13.813) 17.535 12.089 ( 13.987 -5.184 -0.947) 14.947 12.465 ( 19.740 -1.696 -5.951) 20.687 13.347 ( -1.131 6.313 -0.133) 6.415 15.351 ( -8.160 0.891 8.391) 11.738 15.536 ( -1.195 -0.230 4.769) 4.922 15.896 ( 8.762 -5.729 0.877) 10.505 16.395 ( 4.762 -12.430 -12.916) 18.547 19.081 ( 0.114 13.202 16.218) 20.913 20.133 ( -3.594 2.298 -6.626) 7.880 21.209 ( -9.197 -12.505 9.778) 18.346 22.104 ( -8.249 4.199 -22.891) 24.691 37.017 ( 6.433 2.865 5.230) 8.772 37.353 ( 7.352 -0.967 -5.646) 9.320 42.113 ( -0.404 3.240 1.945) 3.800 42.979 ( -2.759 -11.157 -20.679) 23.658 58.249 ( -14.231 10.694 28.285) 33.420 61.007 ( -29.608 1.018 -68.302) 74.450 ======================= Grid point 1047 (313/420) ======================= q-point: ( 0.11 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.097 ( 14.866 25.433 34.025) 45.006 6.357 ( 39.336 22.313 30.293) 54.432 7.804 ( 10.541 6.495 -12.842) 17.839 7.991 ( 35.592 4.121 -22.300) 42.203 9.983 ( 9.277 29.815 35.180) 47.039 11.246 ( -6.590 10.736 -11.101) 16.790 11.760 ( -1.163 -9.831 18.628) 21.095 12.400 ( 14.067 -0.731 1.219) 14.139 12.839 ( 16.908 -5.130 -4.526) 18.240 13.396 ( 8.711 5.534 -0.889) 10.358 15.219 ( -4.438 2.303 7.830) 9.290 15.514 ( -0.592 4.660 0.046) 4.697 16.049 ( 6.099 -9.901 4.262) 12.386 16.508 ( 6.217 -10.923 -11.682) 17.159 19.076 ( -0.938 9.266 14.858) 17.536 20.033 ( -6.492 4.364 -6.287) 10.035 20.952 ( -16.610 -13.885 10.909) 24.242 21.894 ( -12.410 0.188 -21.261) 24.618 37.196 ( 11.601 3.769 5.580) 13.414 37.556 ( 12.951 -0.805 -5.974) 14.286 42.102 ( -0.682 3.109 2.341) 3.951 42.903 ( -4.933 -10.033 -18.742) 21.823 57.852 ( -25.735 13.314 25.574) 38.648 60.215 ( -49.234 7.693 -55.577) 74.646 ======================= Grid point 1048 (314/420) ======================= q-point: ( 0.17 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.455 ( 21.638 19.737 30.731) 42.452 7.096 ( 33.785 20.787 26.807) 47.876 8.037 ( 14.819 8.400 -8.926) 19.231 8.733 ( 36.194 4.711 -19.486) 41.375 10.308 ( 24.271 14.100 22.536) 35.997 11.177 ( -0.729 4.453 -11.527) 12.378 11.786 ( 4.822 -5.857 20.103) 21.487 12.537 ( 0.607 3.682 3.931) 5.420 13.149 ( 15.316 -3.156 -1.161) 15.681 13.694 ( 19.177 1.410 -4.379) 19.721 15.202 ( 2.952 1.814 6.747) 7.585 15.532 ( 3.070 8.355 -1.408) 9.012 16.119 ( 1.005 -12.402 6.067) 13.843 16.613 ( 3.950 -9.266 -11.486) 15.277 19.029 ( -4.223 2.892 12.648) 13.644 19.889 ( -8.014 6.900 -7.403) 12.909 20.595 ( -18.635 -15.300 14.067) 27.915 21.644 ( -12.643 -3.785 -19.275) 23.360 37.458 ( 14.868 5.046 6.027) 16.818 37.842 ( 15.883 -0.139 -6.087) 17.010 42.087 ( -0.742 2.849 2.895) 4.129 42.792 ( -6.202 -8.480 -15.991) 19.134 57.273 ( -32.603 17.150 21.966) 42.890 59.164 ( -56.238 14.744 -41.601) 71.490 ======================= Grid point 1049 (315/420) ======================= q-point: ( 0.22 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.933 ( 26.839 13.178 27.322) 40.503 7.654 ( 24.117 17.726 22.334) 37.345 8.365 ( 17.744 9.724 -2.426) 20.379 9.330 ( 24.041 9.127 -17.609) 31.166 10.846 ( 24.558 -3.839 5.164) 25.387 11.212 ( 5.915 -5.716 -5.462) 9.874 11.995 ( 17.262 0.434 18.777) 25.510 12.531 ( 1.551 4.071 8.383) 9.447 13.400 ( 9.935 4.454 -0.046) 10.888 14.060 ( 17.009 -1.712 -8.257) 18.985 15.309 ( 6.375 -2.488 6.799) 9.647 15.660 ( 10.217 8.743 -1.253) 13.505 16.110 ( -0.540 -11.960 6.607) 13.674 16.646 ( -0.752 -9.006 -12.056) 15.067 18.911 ( -7.260 -3.035 10.607) 13.207 19.713 ( -10.428 3.393 -10.618) 15.264 20.280 ( -12.184 -10.890 18.631) 24.782 21.406 ( -11.775 -5.816 -16.952) 21.444 37.764 ( 16.082 6.471 6.393) 18.476 38.160 ( 16.261 1.182 -5.764) 17.293 42.074 ( -0.546 2.427 3.470) 4.270 42.666 ( -6.563 -6.803 -12.847) 15.950 56.611 ( -34.138 21.524 18.162) 44.255 58.075 ( -53.996 20.372 -30.149) 65.112 ======================= Grid point 1050 (316/420) ======================= q-point: ( 0.28 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.486 ( 29.191 6.187 24.470) 38.590 8.084 ( 20.732 14.229 19.617) 31.892 8.709 ( 17.373 7.503 0.887) 18.945 9.675 ( 11.835 13.317 -16.475) 24.266 11.031 ( -0.330 -12.110 0.077) 12.115 11.451 ( 10.537 -9.621 -7.885) 16.302 12.437 ( 24.342 -5.073 15.952) 29.542 12.668 ( 13.736 4.883 12.669) 19.314 13.566 ( 8.321 9.942 -0.255) 12.967 14.334 ( 10.798 -1.379 -10.631) 15.216 15.381 ( 0.278 -11.296 8.595) 14.197 15.867 ( 7.307 0.626 -2.037) 7.611 16.193 ( 11.292 -5.923 3.739) 13.288 16.611 ( -0.691 -8.238 -10.392) 13.279 18.783 ( -4.758 -4.934 9.344) 11.588 19.484 ( -12.274 -6.598 -10.011) 17.158 20.127 ( -4.458 -0.130 18.085) 18.627 21.178 ( -11.726 -5.739 -14.211) 19.298 38.074 ( 15.364 7.851 6.557) 18.458 38.465 ( 14.690 3.045 -5.042) 15.827 42.067 ( -0.115 1.834 3.904) 4.315 42.540 ( -6.219 -5.233 -9.610) 12.586 55.969 ( -30.830 25.732 14.471) 42.685 57.084 ( -46.849 24.603 -21.787) 57.225 ======================= Grid point 1051 (317/420) ======================= q-point: ( 0.33 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.046 ( 27.124 -0.422 22.266) 35.095 8.487 ( 20.989 10.514 17.273) 29.146 9.043 ( 16.481 2.845 2.688) 16.940 9.821 ( 3.727 13.242 -13.816) 19.497 10.997 ( -2.035 -9.868 3.302) 10.603 11.518 ( -1.862 -2.984 -9.389) 10.026 12.683 ( 3.007 -9.360 6.844) 11.979 13.105 ( 23.083 -3.085 9.357) 25.098 13.753 ( 10.396 9.836 1.028) 14.348 14.473 ( 2.919 -7.099 -6.390) 9.988 15.386 ( 3.242 -14.781 6.021) 16.286 15.872 ( -5.524 -11.342 -5.548) 13.782 16.482 ( 14.843 -3.053 -0.411) 15.160 16.739 ( 15.007 -3.746 -3.943) 15.962 18.750 ( 1.445 -3.599 8.057) 8.942 19.265 ( -9.570 -10.518 -5.938) 15.411 20.065 ( -2.534 6.192 14.133) 15.637 20.939 ( -12.891 -4.094 -11.250) 17.593 38.354 ( 13.007 9.024 6.505) 17.115 38.726 ( 11.810 5.160 -4.109) 13.527 42.071 ( 0.478 1.101 4.041) 4.216 42.425 ( -5.435 -3.894 -6.477) 9.309 55.428 ( -23.979 29.260 10.889) 39.366 56.257 ( -37.510 27.946 -15.618) 49.314 ======================= Grid point 1052 (318/420) ======================= q-point: ( 0.39 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.510 ( 19.791 -4.677 18.947) 27.795 8.919 ( 22.929 3.608 14.031) 27.123 9.331 ( 12.085 -0.273 6.554) 13.750 9.845 ( -0.485 9.424 -7.493) 12.050 10.972 ( -0.243 -3.337 2.824) 4.378 11.433 ( -6.176 2.508 -8.744) 10.995 12.664 ( -3.604 -0.319 4.654) 5.895 13.392 ( 7.098 -10.128 -6.300) 13.880 13.896 ( 1.409 -0.694 4.070) 4.363 14.473 ( -1.226 -24.832 -0.662) 24.871 15.549 ( 11.821 -10.247 2.315) 15.815 15.771 ( -2.002 -11.637 -4.997) 12.822 16.731 ( 10.532 -2.104 1.264) 10.815 17.104 ( 19.370 -6.341 -5.712) 21.167 18.822 ( 4.836 -2.629 7.167) 9.037 19.130 ( -3.493 -7.639 -0.553) 8.418 20.016 ( -2.434 8.546 9.721) 13.170 20.671 ( -14.443 -1.311 -8.284) 16.701 38.575 ( 9.391 9.869 6.309) 15.013 38.922 ( 8.154 7.148 -3.192) 11.304 42.086 ( 1.112 0.289 3.756) 3.928 42.329 ( -4.422 -2.807 -3.615) 6.364 55.044 ( -15.148 31.852 7.347) 36.027 55.624 ( -27.059 30.580 -10.709) 42.214 ======================= Grid point 1053 (319/420) ======================= q-point: ( 0.44 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.822 ( 12.063 -8.062 13.246) 19.646 9.314 ( 13.165 -7.614 6.094) 16.384 9.506 ( 8.523 4.719 15.644) 18.429 9.826 ( -1.680 4.246 3.846) 5.970 10.991 ( 2.216 2.853 -0.907) 3.725 11.294 ( -7.417 5.756 -8.542) 12.693 12.584 ( -3.706 6.313 2.558) 7.755 13.468 ( 2.349 -1.770 -15.451) 15.728 13.812 ( -7.365 -19.622 5.319) 21.623 14.442 ( -2.010 -40.425 -1.446) 40.501 15.747 ( 6.227 -7.146 1.179) 9.551 15.833 ( 7.285 -7.320 -1.184) 10.395 16.886 ( 5.130 -1.842 3.356) 6.401 17.424 ( 12.087 -10.789 -10.463) 19.287 18.880 ( 0.666 -5.270 8.930) 10.390 19.153 ( 4.931 0.582 3.870) 6.295 19.987 ( 0.215 7.635 4.675) 8.955 20.388 ( -13.776 2.657 -5.305) 14.999 38.716 ( 4.916 10.347 6.098) 12.977 39.043 ( 4.133 8.593 -2.515) 9.862 42.113 ( 1.481 -0.540 3.026) 3.412 42.254 ( -3.112 -1.906 -1.234) 3.852 54.838 ( -6.113 33.419 3.984) 34.206 55.206 ( -15.292 32.338 -6.682) 36.390 ======================= Grid point 1054 (320/420) ======================= q-point: (-0.50 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.952 ( 0.000 -10.897 9.385) 14.382 9.388 ( -0.000 -6.637 4.119) 7.811 9.713 ( 0.000 3.702 16.037) 16.458 9.739 ( -0.000 1.324 13.363) 13.429 11.034 ( 0.000 5.218 -3.832) 6.474 11.196 ( 0.000 6.979 -8.258) 10.812 12.544 ( 0.000 8.785 1.514) 8.915 13.501 ( 0.000 12.892 -23.406) 26.722 13.715 ( 0.000 -37.661 11.434) 39.358 14.417 ( 0.000 -45.118 -2.878) 45.209 15.806 ( 0.000 -6.605 1.621) 6.801 15.924 ( 0.000 -6.290 -0.648) 6.323 16.935 ( 0.000 -1.675 4.309) 4.623 17.546 ( 0.000 -12.852 -12.857) 18.179 18.881 ( 0.000 -5.412 11.359) 12.583 19.221 ( 0.000 3.749 5.141) 6.363 20.017 ( 0.000 3.464 0.668) 3.527 20.211 ( 0.000 7.505 -2.792) 8.007 38.764 ( 0.000 10.494 6.007) 12.092 39.083 ( 0.000 9.127 -2.264) 9.404 42.133 ( 0.000 -1.113 2.373) 2.621 42.218 ( 0.000 -1.328 -0.011) 1.328 54.785 ( 0.000 33.953 2.119) 34.019 55.049 ( 0.000 32.950 -4.618) 33.272 ======================= Grid point 1064 (321/420) ======================= q-point: ( 0.00 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.922 ( 0.000 26.569 25.449) 36.791 6.498 ( 0.000 36.175 27.958) 45.720 7.114 ( 0.000 -0.095 -13.245) 13.245 7.861 ( 0.000 8.325 -12.117) 14.701 10.556 ( 0.000 16.482 25.432) 30.305 11.561 ( 0.000 -3.385 22.361) 22.616 11.639 ( 0.000 -6.316 2.090) 6.653 11.854 ( 0.000 -7.557 -3.759) 8.440 12.377 ( 0.000 17.050 -6.995) 18.429 13.667 ( 0.000 20.426 1.983) 20.522 15.360 ( 0.000 -10.910 13.795) 17.587 15.519 ( 0.000 2.547 3.744) 4.528 15.748 ( 0.000 -1.546 -3.683) 3.994 16.047 ( 0.000 -15.509 -11.566) 19.346 19.343 ( 0.000 10.162 14.070) 17.357 20.094 ( 0.000 -5.972 -1.057) 6.065 21.053 ( 0.000 -12.618 13.627) 18.572 22.341 ( 0.000 8.491 -23.037) 24.552 37.005 ( 0.000 2.586 4.007) 4.769 37.258 ( 0.000 -1.222 -4.178) 4.353 42.178 ( 0.000 3.136 -5.767) 6.565 42.772 ( 0.000 -11.630 -20.246) 23.349 58.704 ( 0.000 21.184 15.293) 26.128 61.064 ( 0.000 -21.111 -65.880) 69.180 ======================= Grid point 1065 (322/420) ======================= q-point: ( 0.06 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.176 ( 24.667 24.953 24.442) 42.761 6.532 ( 3.929 34.260 26.741) 43.638 7.359 ( 23.699 -0.149 -11.906) 26.522 7.891 ( 3.356 8.166 -11.770) 14.713 10.477 ( -6.214 14.796 22.811) 27.890 11.497 ( -5.471 -1.915 5.756) 8.169 11.662 ( 0.090 -4.342 14.220) 14.869 12.001 ( 15.965 -3.519 0.111) 16.348 12.518 ( 12.247 10.262 -5.093) 16.770 13.641 ( -1.895 19.713 1.693) 19.876 15.279 ( -6.114 -8.091 11.519) 15.347 15.521 ( -0.246 -1.084 3.039) 3.236 15.816 ( 5.794 -2.204 -0.913) 6.266 16.127 ( 7.429 -12.861 -11.474) 18.768 19.326 ( -1.903 9.671 14.206) 17.291 20.073 ( -2.064 -5.428 -0.814) 5.864 20.956 ( -9.730 -12.876 13.042) 20.750 22.225 ( -11.362 7.213 -22.795) 26.472 37.075 ( 7.047 2.857 4.245) 8.709 37.332 ( 7.454 -1.147 -4.042) 8.557 42.173 ( -0.465 3.104 -5.452) 6.291 42.753 ( -1.960 -11.250 -19.621) 22.702 58.575 ( -12.935 21.509 14.818) 29.146 60.824 ( -23.849 -18.145 -62.159) 69.005 ======================= Grid point 1066 (323/420) ======================= q-point: ( 0.11 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.658 ( 9.835 29.432 25.476) 40.149 6.803 ( 35.692 21.740 21.499) 46.998 7.915 ( 22.156 3.074 -6.386) 23.262 8.070 ( 24.698 4.393 -13.864) 28.662 10.385 ( -1.818 10.595 18.194) 21.132 11.377 ( -6.120 1.630 -9.349) 11.292 11.670 ( 1.571 -0.819 24.660) 24.724 12.381 ( 19.247 -2.861 0.594) 19.467 12.776 ( 13.412 4.497 0.655) 14.161 13.644 ( 3.654 16.067 0.268) 16.479 15.177 ( -3.580 -6.450 10.445) 12.787 15.520 ( 0.691 -3.891 1.440) 4.206 15.930 ( 5.091 -1.543 1.755) 5.602 16.295 ( 8.700 -9.482 -11.957) 17.566 19.257 ( -5.540 7.715 14.380) 17.234 20.021 ( -2.989 -3.585 -0.989) 4.772 20.686 ( -17.269 -12.857 12.171) 24.732 21.931 ( -17.570 3.358 -22.018) 28.368 37.271 ( 12.702 3.631 4.881) 14.083 37.539 ( 13.355 -0.882 -3.621) 13.865 42.160 ( -0.834 2.996 -4.557) 5.517 42.698 ( -3.541 -10.203 -17.869) 20.879 58.215 ( -23.360 22.454 13.561) 35.124 60.177 ( -40.801 -10.702 -52.772) 67.559 ======================= Grid point 1067 (324/420) ======================= q-point: ( 0.17 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.899 ( 14.946 23.913 23.901) 36.966 7.457 ( 28.173 14.734 15.450) 35.348 8.245 ( 19.582 11.170 -0.137) 22.544 8.789 ( 39.057 1.129 -11.835) 40.827 10.441 ( 7.859 1.539 11.989) 14.418 11.274 ( -4.054 5.007 -14.813) 16.153 11.747 ( 6.811 -1.487 25.745) 26.672 12.611 ( 3.807 1.426 2.497) 4.771 13.095 ( 19.575 2.364 4.106) 20.141 13.801 ( 11.422 7.728 -1.344) 13.856 15.155 ( 1.214 -6.386 10.479) 12.331 15.566 ( 4.406 -4.779 0.360) 6.510 16.001 ( 2.131 0.945 2.881) 3.706 16.432 ( 4.579 -8.248 -13.044) 16.098 19.100 ( -10.446 3.691 13.928) 17.797 19.955 ( -4.774 -0.088 -6.204) 7.829 20.321 ( -18.024 -11.774 15.446) 26.497 21.584 ( -16.967 -1.900 -20.225) 26.467 37.558 ( 16.239 4.773 5.720) 17.866 37.838 ( 16.777 -0.332 -2.904) 17.030 42.142 ( -1.028 2.783 -3.226) 4.383 42.618 ( -4.516 -8.721 -15.294) 18.176 57.690 ( -29.541 23.912 11.900) 39.825 59.292 ( -48.157 -1.743 -41.424) 63.546 ======================= Grid point 1068 (325/420) ======================= q-point: ( 0.22 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.237 ( 19.283 16.781 22.371) 33.969 7.895 ( 18.462 6.746 8.343) 21.353 8.660 ( 20.359 17.409 9.284) 28.351 9.481 ( 30.255 6.447 -10.440) 32.649 10.652 ( 10.835 -11.788 4.569) 16.650 11.249 ( 2.815 8.157 -14.613) 16.971 11.943 ( 12.717 -7.889 21.340) 26.065 12.643 ( 2.296 5.147 8.075) 9.847 13.464 ( 16.646 3.614 2.443) 17.208 14.042 ( 12.476 -0.057 -1.662) 12.586 15.190 ( 0.744 -8.697 11.629) 14.540 15.706 ( 9.658 -4.257 -1.031) 10.605 16.031 ( 1.958 3.818 2.130) 4.790 16.458 ( -1.670 -9.198 -13.222) 16.193 18.878 ( -10.946 -0.375 12.173) 16.375 19.731 ( -17.719 -1.091 -12.100) 21.484 20.120 ( -2.167 -5.657 18.606) 19.567 21.288 ( -13.236 -5.423 -16.988) 22.208 37.891 ( 17.509 6.080 6.544) 19.656 38.178 ( 17.645 0.554 -1.948) 17.761 42.122 ( -0.997 2.434 -1.681) 3.122 42.526 ( -4.861 -7.077 -12.258) 14.966 57.091 ( -30.896 25.676 10.154) 41.435 58.346 ( -47.429 6.526 -31.015) 57.044 ======================= Grid point 1069 (326/420) ======================= q-point: ( 0.28 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.640 ( 21.567 9.192 21.001) 31.475 8.234 ( 16.833 1.541 6.552) 18.129 8.998 ( 14.513 18.985 12.928) 27.170 9.938 ( 15.986 12.940 -10.504) 23.094 10.773 ( 2.332 -13.480 2.557) 13.917 11.390 ( 9.010 4.390 -13.407) 16.739 12.195 ( 11.834 -16.360 15.668) 25.557 12.769 ( 10.700 1.412 10.482) 15.045 13.739 ( 11.939 7.427 1.802) 14.176 14.265 ( 9.308 -4.561 -2.312) 10.620 15.140 ( -5.168 -11.804 12.117) 17.688 15.840 ( -1.063 -3.155 -4.552) 5.640 16.140 ( 11.199 -0.378 -0.850) 11.238 16.443 ( 3.738 -7.755 -8.618) 12.182 18.719 ( -4.491 -1.617 9.003) 10.190 19.388 ( -15.616 -2.066 -9.606) 18.450 20.128 ( 1.476 -0.843 13.976) 14.079 21.058 ( -10.712 -5.721 -12.939) 17.745 38.229 ( 16.672 7.365 7.211) 19.601 38.514 ( 16.387 1.713 -0.877) 16.499 42.104 ( -0.729 1.937 -0.185) 2.078 42.431 ( -4.693 -5.500 -9.082) 11.608 56.510 ( -27.893 27.453 8.407) 40.029 57.469 ( -41.683 13.345 -22.627) 49.270 ======================= Grid point 1070 (327/420) ======================= q-point: ( 0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.061 ( 20.881 2.312 19.656) 28.770 8.561 ( 16.489 -2.546 6.792) 18.014 9.252 ( 11.878 16.403 13.671) 24.435 10.105 ( 1.693 14.398 -10.051) 17.641 10.825 ( 4.210 -7.247 6.550) 10.637 11.506 ( 2.334 2.412 -12.629) 13.068 12.387 ( 7.819 -17.676 12.814) 23.190 12.990 ( 9.544 -10.494 5.458) 15.199 13.919 ( 4.864 6.855 2.967) 8.914 14.328 ( -4.792 -6.445 -3.923) 8.939 15.104 ( 4.852 -13.493 9.115) 16.991 15.680 ( -10.263 -7.322 -6.699) 14.276 16.422 ( 15.163 -3.183 -2.636) 15.716 16.645 ( 14.939 -5.212 -5.090) 16.621 18.709 ( 3.012 -0.759 5.752) 6.537 19.150 ( -8.339 -0.836 -7.112) 10.992 20.151 ( 0.482 1.830 11.392) 11.548 20.854 ( -10.402 -3.837 -8.917) 14.229 38.532 ( 14.064 8.485 7.674) 18.129 38.809 ( 13.538 2.981 0.151) 13.863 42.094 ( -0.258 1.310 1.004) 1.670 42.344 ( -4.169 -4.129 -6.033) 8.416 56.021 ( -21.682 28.950 6.546) 36.756 56.732 ( -33.453 18.751 -16.105) 41.594 ======================= Grid point 1071 (328/420) ======================= q-point: ( 0.39 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.433 ( 16.573 -2.223 17.496) 24.202 8.872 ( 14.982 -7.148 6.634) 17.877 9.470 ( 10.385 12.286 15.132) 22.086 10.054 ( -5.401 10.670 -3.207) 12.382 10.936 ( 6.563 -0.129 5.885) 8.816 11.495 ( -2.994 3.688 -10.734) 11.738 12.512 ( 5.453 -14.574 10.827) 18.957 13.104 ( 2.413 -16.986 1.134) 17.194 13.859 ( -10.809 -8.455 4.457) 14.428 14.128 ( -12.877 -3.207 -11.676) 17.676 15.314 ( 13.668 -13.183 6.237) 19.988 15.580 ( 1.043 -7.521 -3.255) 8.262 16.685 ( 11.219 -2.636 -3.202) 11.960 16.951 ( 14.870 -8.573 -7.640) 18.788 18.798 ( 4.560 0.543 4.225) 6.240 19.079 ( 1.590 1.645 -3.609) 4.273 20.143 ( -1.173 3.844 9.236) 10.072 20.644 ( -11.073 -1.016 -5.247) 12.295 38.770 ( 10.111 9.341 7.955) 15.898 39.037 ( 9.587 4.141 0.990) 10.490 42.095 ( 0.321 0.603 1.677) 1.811 42.270 ( -3.406 -3.012 -3.341) 5.642 55.673 ( -13.659 29.956 4.414) 33.218 56.168 ( -24.088 22.865 -10.941) 34.968 ======================= Grid point 1072 (329/420) ======================= q-point: ( 0.44 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.691 ( 9.475 -4.298 14.102) 17.525 9.118 ( 9.227 -10.678 5.021) 14.978 9.654 ( 8.447 8.597 17.668) 21.388 9.935 ( -6.331 6.044 7.388) 11.454 11.064 ( 6.232 4.515 1.580) 7.857 11.406 ( -5.605 5.352 -8.479) 11.487 12.616 ( 5.173 -9.421 9.524) 14.360 13.113 ( -0.598 -15.568 1.364) 15.640 13.590 ( -13.845 -28.446 1.532) 31.673 13.900 ( -9.016 2.711 -18.204) 20.495 15.533 ( 7.224 -13.059 4.868) 15.698 15.680 ( 6.975 -8.391 -0.649) 10.931 16.851 ( 5.699 -2.055 -3.295) 6.896 17.187 ( 8.619 -12.263 -11.219) 18.722 18.855 ( 1.572 2.949 6.029) 6.893 19.192 ( 7.709 2.393 -2.374) 8.414 20.116 ( -1.229 5.062 7.200) 8.887 20.434 ( -9.547 1.983 -1.959) 9.946 38.922 ( 5.272 9.873 8.099) 13.815 39.180 ( 4.955 4.963 1.534) 7.178 42.106 ( 0.742 -0.094 1.745) 1.899 42.213 ( -2.313 -2.146 -1.249) 3.394 55.488 ( -5.428 30.407 2.051) 30.956 55.796 ( -13.656 25.601 -6.870) 29.818 ======================= Grid point 1073 (330/420) ======================= q-point: (-0.50 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.787 ( 0.000 -5.206 12.093) 13.166 9.209 ( -0.000 -10.237 3.738) 10.898 9.799 ( 0.000 4.627 15.527) 16.202 9.813 ( -0.000 4.919 16.743) 17.451 11.147 ( 0.000 6.259 -1.902) 6.542 11.326 ( -0.000 6.027 -6.471) 8.843 12.680 ( 0.000 -5.155 9.346) 10.673 13.106 ( 0.000 -12.159 2.716) 12.458 13.429 ( 0.000 -37.936 -1.414) 37.963 13.809 ( 0.000 2.968 -20.193) 20.410 15.600 ( 0.000 -12.563 4.398) 13.311 15.761 ( 0.000 -9.869 -0.132) 9.869 16.907 ( 0.000 -1.766 -3.273) 3.719 17.273 ( 0.000 -13.750 -12.749) 18.751 18.870 ( 0.000 4.202 7.728) 8.796 19.284 ( 0.000 2.120 -2.831) 3.537 20.105 ( 0.000 5.157 6.014) 7.922 20.325 ( 0.000 3.802 -0.094) 3.803 38.974 ( 0.000 10.053 8.143) 12.937 39.228 ( 0.000 5.261 1.721) 5.536 42.116 ( 0.000 -0.492 1.528) 1.605 42.187 ( 0.000 -1.709 -0.288) 1.733 55.442 ( 0.000 30.511 0.564) 30.517 55.655 ( 0.000 26.584 -4.831) 27.020 ======================= Grid point 1083 (331/420) ======================= q-point: ( 0.00 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.411 ( 0.000 21.730 16.809) 27.472 7.052 ( 0.000 -6.372 -3.739) 7.388 7.173 ( 0.000 29.043 19.984) 35.254 7.994 ( 0.000 3.705 -0.803) 3.791 10.623 ( 0.000 -3.582 10.704) 11.287 11.458 ( 0.000 -7.078 5.285) 8.834 11.547 ( 0.000 -2.826 0.289) 2.841 11.718 ( 0.000 -5.566 -4.622) 7.235 12.898 ( 0.000 31.399 19.571) 36.999 13.981 ( 0.000 6.556 11.112) 12.902 15.148 ( 0.000 -8.326 6.115) 10.330 15.563 ( 0.000 1.783 2.721) 3.253 15.719 ( 0.000 -1.224 -2.356) 2.655 15.784 ( 0.000 -9.864 -11.962) 15.504 19.430 ( 0.000 -0.750 7.066) 7.106 20.038 ( 0.000 0.710 -4.454) 4.510 20.826 ( 0.000 -9.084 26.400) 27.919 22.487 ( 0.000 5.467 -20.033) 20.765 37.051 ( 0.000 1.886 2.942) 3.494 37.233 ( 0.000 -1.098 -2.966) 3.163 42.252 ( 0.000 4.536 -11.465) 12.330 42.556 ( 0.000 -9.843 -18.817) 21.236 59.211 ( 0.000 29.128 -4.505) 29.474 60.526 ( 0.000 -31.276 -49.224) 58.320 ======================= Grid point 1084 (332/420) ======================= q-point: ( 0.06 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.634 ( 21.684 20.308 16.247) 33.861 7.133 ( 3.965 17.905 12.579) 22.238 7.341 ( 20.829 4.011 3.385) 21.480 8.012 ( 2.319 2.795 -0.918) 3.746 10.577 ( -3.759 -0.231 10.094) 10.774 11.379 ( -5.156 -8.449 5.376) 11.264 11.606 ( 4.053 -0.461 0.159) 4.082 11.887 ( 14.921 -7.586 -3.636) 17.130 12.963 ( 6.446 29.719 18.282) 35.483 13.941 ( -3.492 6.120 10.132) 12.341 15.088 ( -4.925 -8.506 6.469) 11.767 15.483 ( -4.971 -2.568 0.460) 5.614 15.796 ( 6.962 -0.223 -1.056) 7.046 15.934 ( 11.377 -6.021 -10.448) 16.579 19.415 ( -1.759 -0.316 8.019) 8.216 20.022 ( -1.626 0.867 -3.757) 4.184 20.720 ( -10.427 -9.733 24.559) 28.401 22.354 ( -13.221 4.937 -20.290) 24.716 37.125 ( 7.480 2.032 3.279) 8.417 37.309 ( 7.617 -1.025 -2.651) 8.130 42.246 ( -0.592 4.430 -11.015) 11.887 42.543 ( -1.269 -9.532 -18.250) 20.628 59.081 ( -13.062 28.626 -4.201) 31.744 60.340 ( -18.551 -28.895 -46.896) 58.124 ======================= Grid point 1085 (333/420) ======================= q-point: ( 0.11 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.161 ( 24.601 17.938 15.130) 33.998 7.231 ( 11.217 20.972 17.295) 29.407 7.915 ( 33.087 -1.289 -1.387) 33.142 8.134 ( 14.101 -0.014 -2.174) 14.267 10.515 ( -1.937 5.362 9.841) 11.373 11.291 ( -3.470 -9.940 5.345) 11.807 11.681 ( 3.462 3.309 1.690) 5.078 12.222 ( 17.446 -10.803 -5.187) 21.166 13.133 ( 10.304 26.259 16.551) 32.706 13.881 ( -1.496 4.223 7.945) 9.122 15.004 ( -2.897 -8.671 7.803) 12.019 15.418 ( -1.338 -4.904 0.536) 5.112 15.944 ( 7.310 1.575 0.022) 7.478 16.156 ( 10.371 -4.322 -11.308) 15.941 19.345 ( -6.022 1.071 11.092) 12.666 19.978 ( -2.646 0.401 -2.594) 3.727 20.448 ( -16.288 -10.293 19.457) 27.383 22.003 ( -21.489 3.127 -20.775) 30.053 37.334 ( 13.538 2.492 4.163) 14.381 37.521 ( 13.674 -0.848 -1.775) 13.815 42.230 ( -1.092 4.123 -9.732) 10.626 42.507 ( -2.314 -8.666 -16.639) 18.902 58.718 ( -23.483 27.303 -3.358) 36.169 59.832 ( -32.418 -22.684 -40.817) 56.847 ======================= Grid point 1086 (334/420) ======================= q-point: ( 0.17 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.354 ( 9.203 19.859 17.524) 28.039 7.678 ( 18.448 7.514 11.294) 22.899 8.405 ( 25.582 4.036 3.261) 26.102 8.787 ( 42.291 -1.496 -6.292) 42.782 10.512 ( 1.596 8.315 10.863) 13.773 11.258 ( 0.567 -10.555 4.428) 11.460 11.743 ( 3.063 4.986 1.721) 6.099 12.503 ( 10.271 -10.151 -5.546) 15.469 13.356 ( 12.605 20.510 15.031) 28.381 13.908 ( 4.104 0.430 5.813) 7.129 14.990 ( 1.312 -8.235 9.705) 12.796 15.444 ( 4.414 -5.488 0.340) 7.050 16.063 ( 4.733 3.342 0.327) 5.803 16.306 ( 4.117 -4.237 -12.325) 13.668 19.158 ( -12.993 1.890 14.968) 19.911 19.920 ( -4.488 -2.308 -7.359) 8.923 20.136 ( -13.509 -6.591 17.439) 23.023 21.568 ( -21.478 0.001 -20.303) 29.556 37.640 ( 17.346 3.245 5.299) 18.425 37.828 ( 17.275 -0.623 -0.512) 17.294 42.205 ( -1.420 3.643 -7.815) 8.738 42.455 ( -2.995 -7.417 -14.227) 16.321 58.192 ( -29.527 25.579 -2.159) 39.125 59.119 ( -39.267 -14.693 -33.016) 53.366 ======================= Grid point 1087 (335/420) ======================= q-point: ( 0.22 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.569 ( 12.641 15.360 17.093) 26.228 7.958 ( 12.275 0.037 7.715) 14.498 8.931 ( 25.295 8.449 7.162) 27.613 9.574 ( 35.713 1.132 -9.018) 36.852 10.566 ( 3.702 7.271 12.906) 15.269 11.331 ( 6.838 -8.986 1.168) 11.352 11.808 ( 3.814 2.375 2.393) 5.091 12.630 ( 3.795 -6.539 -2.047) 7.833 13.617 ( 13.551 11.719 10.588) 20.811 14.021 ( 7.047 -3.363 4.791) 9.161 15.019 ( 0.205 -6.980 11.994) 13.879 15.598 ( 10.893 -4.987 -1.327) 12.053 16.134 ( 2.385 4.787 -1.498) 5.555 16.305 ( -3.220 -5.824 -10.636) 12.547 18.885 ( -13.046 0.643 14.349) 19.404 19.701 ( -15.956 -1.311 -11.974) 19.992 20.033 ( 1.011 -3.326 15.905) 16.281 21.206 ( -15.126 -2.708 -17.257) 23.107 37.996 ( 18.702 4.183 6.405) 20.206 38.180 ( 18.325 -0.359 0.929) 18.352 42.176 ( -1.515 3.038 -5.557) 6.513 42.393 ( -3.292 -6.008 -11.331) 13.241 57.595 ( -30.731 23.847 -0.861) 38.908 58.339 ( -39.537 -6.751 -25.354) 47.451 ======================= Grid point 1088 (336/420) ======================= q-point: ( 0.28 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.841 ( 15.003 10.449 16.445) 24.591 8.199 ( 12.656 -4.329 6.788) 15.000 9.343 ( 16.732 14.010 9.720) 23.889 10.098 ( 16.501 -2.013 -9.590) 19.191 10.667 ( 7.183 10.011 14.143) 18.757 11.486 ( 7.167 -4.839 -5.784) 10.404 11.912 ( 7.451 -4.222 6.557) 10.785 12.683 ( 1.654 -9.184 1.721) 9.489 13.869 ( 11.761 5.917 5.237) 14.169 14.170 ( 7.483 -5.118 3.675) 9.782 14.953 ( -6.720 -6.189 13.689) 16.458 15.771 ( 0.062 -3.074 -7.355) 7.971 16.123 ( 2.627 -1.870 -3.565) 4.807 16.340 ( 8.301 -2.253 -4.507) 9.710 18.707 ( -4.437 -0.015 9.382) 10.378 19.398 ( -13.734 2.206 -12.465) 18.678 20.083 ( 3.251 -3.173 13.166) 13.928 20.969 ( -9.667 -2.933 -12.410) 16.002 38.357 ( 17.792 5.165 7.312) 19.917 38.530 ( 17.186 -0.059 2.351) 17.346 42.147 ( -1.351 2.365 -3.300) 4.279 42.328 ( -3.260 -4.642 -8.279) 10.036 57.017 ( -27.690 22.324 0.238) 35.569 57.602 ( -35.216 0.166 -18.794) 39.918 ======================= Grid point 1089 (337/420) ======================= q-point: ( 0.33 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.144 ( 15.645 5.931 15.678) 22.929 8.453 ( 13.112 -7.203 6.957) 16.499 9.598 ( 9.795 17.165 12.440) 23.352 10.245 ( 0.657 -5.205 -4.793) 7.106 10.835 ( 9.046 12.798 13.117) 20.437 11.567 ( 1.297 -0.571 -11.261) 11.350 12.091 ( 9.572 -8.371 8.964) 15.558 12.687 ( -1.204 -17.746 3.325) 18.094 14.024 ( 1.094 3.488 1.508) 3.954 14.234 ( -3.338 -2.978 0.243) 4.480 14.871 ( 2.945 -8.981 12.552) 15.712 15.587 ( -11.306 -2.321 -7.959) 14.020 16.355 ( 15.696 -3.180 -3.864) 16.474 16.555 ( 12.322 -3.394 -5.766) 14.022 18.710 ( 4.180 0.502 4.869) 6.436 19.195 ( -6.594 3.855 -11.118) 13.489 20.141 ( 2.385 -2.086 11.979) 12.391 20.801 ( -8.118 -1.475 -7.657) 11.257 38.680 ( 14.993 6.069 7.973) 18.033 38.841 ( 14.341 0.254 3.594) 14.786 42.124 ( -0.943 1.677 -1.366) 2.360 42.267 ( -2.970 -3.455 -5.374) 7.045 56.532 ( -21.588 21.073 0.831) 30.179 56.978 ( -28.390 5.738 -13.489) 31.951 ======================= Grid point 1090 (338/420) ======================= q-point: ( 0.39 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.438 ( 13.889 2.787 14.636) 20.369 8.703 ( 12.159 -8.915 7.469) 16.826 9.742 ( 5.277 14.249 15.463) 21.679 10.182 ( -6.269 -0.662 2.407) 6.748 11.008 ( 8.698 8.564 10.045) 15.808 11.557 ( -2.033 1.415 -11.464) 11.729 12.243 ( 5.478 -8.725 8.791) 13.543 12.656 ( -1.070 -25.281 2.247) 25.403 13.818 ( -18.766 5.336 3.700) 19.858 14.112 ( -8.137 -2.936 -8.383) 12.046 15.070 ( 13.776 -9.777 7.892) 18.645 15.468 ( -0.642 -3.721 -4.438) 5.827 16.635 ( 11.996 -1.929 -6.401) 13.734 16.789 ( 11.040 -6.899 -8.457) 15.525 18.838 ( 7.807 2.650 2.537) 8.626 19.143 ( 1.093 3.575 -7.750) 8.605 20.173 ( 0.959 -0.258 10.680) 10.727 20.637 ( -8.784 0.187 -3.442) 9.436 38.934 ( 10.769 6.795 8.409) 15.260 39.083 ( 10.250 0.537 4.540) 11.223 42.111 ( -0.365 1.025 -0.008) 1.088 42.213 ( -2.462 -2.507 -2.885) 4.546 56.184 ( -13.783 20.057 0.679) 24.346 56.499 ( -20.408 9.923 -9.227) 24.497 ======================= Grid point 1091 (339/420) ======================= q-point: ( 0.44 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.664 ( 8.584 1.601 13.255) 15.872 8.913 ( 8.673 -9.615 7.522) 14.975 9.821 ( 3.268 7.835 17.597) 19.537 10.032 ( -8.208 2.535 10.964) 13.929 11.174 ( 8.024 6.458 3.697) 10.943 11.492 ( -4.431 2.684 -8.986) 10.372 12.310 ( 2.050 -12.916 9.756) 16.315 12.664 ( 1.565 -28.153 0.645) 28.204 13.456 ( -15.539 11.413 1.575) 19.345 13.940 ( -7.869 -2.892 -12.130) 14.745 15.304 ( 8.716 -8.098 4.085) 12.579 15.511 ( 3.385 -7.697 -1.963) 8.635 16.811 ( 5.990 -1.318 -7.567) 9.740 16.965 ( 6.420 -9.374 -11.075) 15.866 18.968 ( 4.750 7.128 2.145) 8.830 19.219 ( 5.459 -0.148 -5.393) 7.675 20.189 ( 1.157 2.444 9.007) 9.404 20.464 ( -8.419 0.907 0.418) 8.478 39.095 ( 5.611 7.263 8.657) 12.617 39.237 ( 5.333 0.741 5.122) 7.431 42.110 ( 0.190 0.487 0.629) 0.817 42.172 ( -1.669 -1.832 -1.056) 2.694 55.995 ( -5.669 19.275 -0.258) 20.093 56.184 ( -11.589 12.659 -5.876) 18.140 ======================= Grid point 1092 (340/420) ======================= q-point: (-0.50 0.42 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.751 ( 0.000 1.505 12.500) 12.590 9.006 ( -0.000 -9.709 7.046) 11.997 9.887 ( -0.000 3.937 16.061) 16.537 9.904 ( 0.000 3.663 17.589) 17.967 11.281 ( 0.000 6.943 -1.256) 7.056 11.420 ( -0.000 2.707 -5.921) 6.511 12.333 ( 0.000 -15.713 10.039) 18.646 12.686 ( 0.000 -31.423 1.346) 31.452 13.290 ( 0.000 18.058 -0.759) 18.074 13.856 ( 0.000 -3.223 -12.989) 13.383 15.390 ( 0.000 -6.428 2.384) 6.856 15.551 ( 0.000 -10.414 -1.011) 10.463 16.870 ( 0.000 -1.256 -7.909) 8.008 17.029 ( 0.000 -10.106 -12.007) 15.694 19.015 ( 0.000 9.102 2.655) 9.481 19.286 ( -0.000 -2.324 -5.239) 5.731 20.214 ( 0.000 5.546 7.636) 9.438 20.358 ( 0.000 -0.450 2.781) 2.817 39.150 ( 0.000 7.424 8.739) 11.467 39.289 ( 0.000 0.816 5.317) 5.379 42.114 ( 0.000 0.273 0.686) 0.739 42.154 ( 0.000 -1.582 -0.266) 1.604 55.947 ( 0.000 19.063 -1.197) 19.100 56.063 ( 0.000 13.532 -4.141) 14.151 ======================= Grid point 1102 (341/420) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.705 ( 0.000 0.000 10.191) 10.191 6.915 ( 0.000 -0.000 3.385) 3.385 7.509 ( 0.000 0.000 15.138) 15.138 8.008 ( 0.000 -0.000 7.200) 7.200 10.572 ( 0.000 0.000 8.022) 8.022 11.367 ( 0.000 0.000 -2.744) 2.744 11.522 ( 0.000 0.000 -0.570) 0.570 11.657 ( 0.000 0.000 -4.863) 4.863 13.325 ( 0.000 -0.000 27.580) 27.580 13.953 ( 0.000 0.000 18.462) 18.462 15.076 ( 0.000 0.000 0.387) 0.387 15.583 ( 0.000 0.000 2.237) 2.237 15.681 ( 0.000 0.000 -13.715) 13.715 15.705 ( 0.000 0.000 -1.761) 1.761 19.405 ( 0.000 0.000 4.531) 4.531 20.059 ( 0.000 -0.000 -12.790) 12.790 20.730 ( 0.000 0.000 37.585) 37.585 22.543 ( 0.000 0.000 -18.637) 18.637 37.071 ( 0.000 -0.000 2.430) 2.430 37.221 ( 0.000 0.000 -2.400) 2.400 42.341 ( 0.000 0.000 -14.166) 14.166 42.412 ( 0.000 -0.000 -17.628) 17.628 59.756 ( 0.000 0.000 -22.861) 22.861 59.956 ( 0.000 -0.000 -31.851) 31.851 ======================= Grid point 1104 (342/420) ======================= q-point: ( 0.06 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.903 ( 19.240 0.000 10.533) 21.934 7.127 ( 19.576 -0.000 3.652) 19.914 7.551 ( 5.904 0.000 13.579) 14.807 8.011 ( 0.740 -0.000 6.677) 6.717 10.569 ( 0.192 0.000 7.727) 7.729 11.270 ( -6.873 0.000 3.426) 7.680 11.622 ( 7.072 0.000 -4.695) 8.488 11.784 ( 12.064 0.000 -5.125) 13.108 13.381 ( 5.650 -0.000 25.149) 25.776 13.905 ( -4.416 0.000 17.532) 18.079 15.008 ( -5.515 0.000 1.008) 5.607 15.449 ( -6.632 0.000 -1.393) 6.777 15.796 ( 7.902 0.000 -1.351) 8.016 15.878 ( 12.722 0.000 -9.736) 16.019 19.395 ( -1.190 0.000 5.687) 5.810 20.046 ( -1.323 -0.000 -12.452) 12.522 20.614 ( -11.304 0.000 35.963) 37.697 22.405 ( -13.759 0.000 -19.080) 23.524 37.147 ( 7.635 -0.000 2.807) 8.135 37.297 ( 7.693 0.000 -2.025) 7.955 42.331 ( -0.935 0.000 -13.634) 13.666 42.405 ( -0.717 -0.000 -17.111) 17.126 59.606 ( -15.018 0.000 -21.662) 26.359 59.810 ( -14.712 -0.000 -30.609) 33.961 ======================= Grid point 1106 (343/420) ======================= q-point: ( 0.11 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.376 ( 25.732 0.000 12.457) 28.589 7.439 ( 8.621 0.000 11.495) 14.369 7.936 ( 35.583 0.000 2.172) 35.649 8.079 ( 8.268 -0.000 4.361) 9.347 10.600 ( 3.281 0.000 7.449) 8.140 11.135 ( -6.676 0.000 11.247) 13.079 11.752 ( 5.901 0.000 -7.702) 9.702 12.075 ( 16.118 0.000 -6.396) 17.341 13.536 ( 9.634 -0.000 19.521) 21.769 13.811 ( -4.263 0.000 15.905) 16.466 14.913 ( -3.290 0.000 3.053) 4.488 15.363 ( -1.915 0.000 -0.031) 1.915 15.963 ( 8.251 0.000 -0.625) 8.275 16.115 ( 10.730 0.000 -10.878) 15.280 19.344 ( -4.734 0.000 9.637) 10.737 20.001 ( -3.542 -0.000 -11.699) 12.224 20.329 ( -16.135 0.000 30.534) 34.535 22.036 ( -22.768 0.000 -20.053) 30.339 37.361 ( 13.875 -0.000 3.788) 14.383 37.511 ( 13.768 0.000 -0.995) 13.804 42.305 ( -1.685 0.000 -12.128) 12.245 42.385 ( -1.358 -0.000 -15.627) 15.686 59.190 ( -26.727 0.000 -18.433) 32.467 59.403 ( -26.110 -0.000 -27.307) 37.781 ======================= Grid point 1108 (344/420) ======================= q-point: ( 0.17 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.583 ( 7.840 0.000 12.724) 14.945 7.750 ( 11.616 -0.000 13.912) 18.124 8.436 ( 27.580 0.000 2.479) 27.691 8.754 ( 44.339 0.000 -4.281) 44.545 10.704 ( 7.349 0.000 7.830) 10.738 11.019 ( -4.754 0.000 18.762) 19.354 11.850 ( 4.218 0.000 -10.010) 10.863 12.358 ( 11.682 0.000 -8.188) 14.266 13.731 ( 9.669 -0.000 14.048) 17.054 13.770 ( 0.570 0.000 14.517) 14.528 14.899 ( 1.800 0.000 6.266) 6.520 15.385 ( 4.452 0.000 0.390) 4.469 16.099 ( 5.630 0.000 -0.363) 5.642 16.264 ( 3.613 0.000 -11.722) 12.266 19.175 ( -12.860 0.000 15.736) 20.322 19.894 ( -7.837 -0.000 -11.546) 13.954 20.068 ( -8.736 0.000 21.382) 23.098 21.570 ( -23.265 0.000 -20.202) 30.812 37.675 ( 17.846 -0.000 5.030) 18.541 37.820 ( 17.352 0.000 0.464) 17.359 42.267 ( -2.124 0.000 -9.902) 10.127 42.353 ( -1.863 -0.000 -13.366) 13.495 58.596 ( -33.098 0.000 -14.072) 35.966 58.823 ( -32.320 0.000 -22.923) 39.624 ======================= Grid point 1110 (345/420) ======================= q-point: ( 0.22 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.765 ( 10.720 0.000 12.063) 16.138 7.927 ( 8.402 -0.000 12.392) 14.972 9.012 ( 28.544 0.000 3.363) 28.741 9.555 ( 34.461 0.000 -8.261) 35.438 10.872 ( 9.121 0.000 9.230) 12.976 10.983 ( 2.418 -0.000 23.048) 23.174 11.923 ( 3.456 0.000 -10.961) 11.493 12.513 ( 4.276 0.000 -7.781) 8.879 13.831 ( 5.250 -0.000 11.662) 12.789 13.907 ( 8.702 0.000 10.396) 13.557 14.947 ( 1.435 0.000 10.039) 10.141 15.543 ( 11.321 0.000 -1.436) 11.411 16.196 ( 4.973 -0.000 -1.557) 5.211 16.234 ( -6.620 0.000 -9.948) 11.949 18.893 ( -13.700 0.000 15.603) 20.764 19.688 ( -12.840 0.000 -13.287) 18.477 19.996 ( 0.379 0.000 15.822) 15.826 21.179 ( -15.986 0.000 -17.450) 23.665 38.042 ( 19.305 -0.000 6.208) 20.279 38.173 ( 18.373 0.000 2.102) 18.493 42.224 ( -2.210 0.000 -7.304) 7.631 42.313 ( -2.192 -0.000 -10.606) 10.830 57.933 ( -33.842 0.000 -9.584) 35.173 58.173 ( -33.328 0.000 -18.396) 38.068 ======================= Grid point 1112 (346/420) ======================= q-point: ( 0.28 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.998 ( 12.969 0.000 11.396) 17.265 8.107 ( 10.123 -0.000 11.417) 15.258 9.507 ( 21.796 0.000 3.261) 22.038 10.001 ( 10.818 0.000 -1.459) 10.916 11.030 ( 6.324 0.000 11.358) 13.000 11.158 ( 14.638 -0.000 13.147) 19.675 11.992 ( 3.817 0.000 -8.134) 8.985 12.534 ( -2.014 0.000 -3.412) 3.962 13.955 ( 6.810 -0.000 6.128) 9.161 14.088 ( 9.788 0.000 6.980) 12.022 14.896 ( -6.967 0.000 13.460) 15.156 15.738 ( 1.872 0.000 -8.476) 8.680 16.096 ( -0.186 0.000 -2.767) 2.773 16.325 ( 8.646 -0.000 -4.041) 9.543 18.708 ( -4.444 0.000 9.654) 10.628 19.430 ( -12.312 0.000 -15.063) 19.454 20.042 ( 3.473 0.000 14.387) 14.800 20.941 ( -9.153 0.000 -12.384) 15.399 38.415 ( 18.446 -0.000 7.133) 19.777 38.524 ( 17.182 0.000 3.714) 17.579 42.183 ( -1.969 0.000 -4.709) 5.105 42.269 ( -2.321 -0.000 -7.669) 8.013 57.302 ( -29.985 0.000 -5.761) 30.534 57.545 ( -30.347 0.000 -14.252) 33.527 ======================= Grid point 1114 (347/420) ======================= q-point: ( 0.33 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.263 ( 13.838 0.000 11.069) 17.721 8.321 ( 11.600 -0.000 10.861) 15.891 9.861 ( 14.259 -0.000 3.085) 14.589 10.065 ( -1.684 0.000 10.241) 10.378 11.113 ( 2.648 0.000 12.964) 13.231 11.435 ( 10.838 -0.000 -4.457) 11.719 12.084 ( 5.794 0.000 -1.094) 5.896 12.443 ( -6.664 0.000 2.314) 7.055 14.057 ( 2.085 -0.000 -0.319) 2.109 14.206 ( -2.738 0.000 2.646) 3.808 14.777 ( 0.688 0.000 14.353) 14.369 15.568 ( -11.307 0.000 -8.324) 14.041 16.319 ( 16.354 0.000 -4.051) 16.848 16.520 ( 10.510 -0.000 -6.293) 12.250 18.717 ( 4.831 0.000 4.639) 6.698 19.244 ( -6.221 0.000 -13.744) 15.087 20.111 ( 3.249 0.000 13.503) 13.888 20.788 ( -7.184 0.000 -7.415) 10.325 38.751 ( 15.666 -0.000 7.739) 17.473 38.834 ( 14.246 0.000 5.153) 15.149 42.149 ( -1.463 0.000 -2.454) 2.857 42.224 ( -2.239 -0.000 -4.879) 5.368 56.779 ( -23.117 0.000 -3.082) 23.322 57.002 ( -24.880 0.000 -10.626) 27.054 ======================= Grid point 1116 (348/420) ======================= q-point: ( 0.39 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.528 ( 12.941 0.000 11.014) 16.993 8.550 ( 11.440 -0.000 10.628) 15.615 9.998 ( -4.278 -0.000 16.289) 16.841 10.047 ( 4.235 0.000 5.665) 7.073 11.164 ( 3.507 0.000 11.379) 11.908 11.546 ( 1.024 -0.000 -11.361) 11.407 12.209 ( 6.152 -0.000 2.561) 6.664 12.308 ( -6.196 0.000 5.450) 8.252 13.966 ( -16.726 0.000 3.048) 17.001 13.998 ( -7.802 -0.000 -5.126) 9.335 14.969 ( 14.458 0.000 7.677) 16.369 15.432 ( -2.493 0.000 -5.495) 6.034 16.618 ( 13.275 0.000 -8.047) 15.523 16.711 ( 8.565 -0.000 -8.214) 11.867 18.870 ( 9.935 0.000 1.858) 10.107 19.184 ( -0.408 0.000 -9.813) 9.822 20.164 ( 2.303 0.000 12.048) 12.266 20.641 ( -8.103 0.000 -3.004) 8.642 39.018 ( 11.443 -0.000 8.033) 13.981 39.073 ( 10.012 0.000 6.330) 11.845 42.127 ( -0.773 0.000 -0.803) 1.114 42.183 ( -1.942 -0.000 -2.523) 3.184 56.408 ( -14.756 0.000 -1.744) 14.859 56.580 ( -18.080 0.000 -7.485) 19.568 ======================= Grid point 1118 (349/420) ======================= q-point: ( 0.44 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.748 ( 8.765 0.009 10.831) 13.933 8.748 ( 8.183 -0.009 10.573) 13.370 9.927 ( -2.233 -0.000 18.483) 18.617 10.033 ( -4.522 0.000 12.093) 12.911 11.268 ( 6.744 0.000 4.512) 8.114 11.509 ( -4.084 -0.000 -9.019) 9.900 12.234 ( -0.917 0.000 5.928) 5.998 12.288 ( 1.189 -0.000 3.059) 3.282 13.695 ( -8.883 0.000 0.476) 8.896 13.804 ( -10.383 -0.000 -6.307) 12.148 15.231 ( 11.115 0.000 2.363) 11.363 15.422 ( -0.089 -0.000 -3.428) 3.429 16.818 ( 6.928 0.000 -10.197) 12.328 16.844 ( 4.795 -0.000 -9.706) 10.826 19.066 ( 9.010 -0.000 -0.201) 9.013 19.199 ( 1.052 0.000 -5.513) 5.613 20.214 ( 3.320 0.000 9.571) 10.130 20.472 ( -8.888 0.000 1.305) 8.983 39.193 ( 6.280 -0.000 8.039) 10.201 39.220 ( 4.900 0.000 7.202) 8.711 42.119 ( 0.007 0.000 0.066) 0.066 42.149 ( -1.442 -0.000 -0.826) 1.662 56.204 ( -6.010 0.000 -1.724) 6.252 56.299 ( -10.556 0.000 -4.844) 11.614 ======================= Grid point 1120 (350/420) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.838 ( -0.002 -6.801 10.559) 12.560 8.838 ( 0.002 6.801 10.559) 12.560 9.937 ( -3.350 -0.194 17.254) 17.577 9.937 ( 3.350 0.194 17.254) 17.577 11.403 ( -3.859 -3.561 -3.330) 6.218 11.403 ( 3.859 3.561 -3.330) 6.218 12.261 ( -0.384 -9.565 4.887) 10.748 12.261 ( 0.384 9.565 4.887) 10.748 13.651 ( -0.473 -15.998 -3.900) 16.473 13.651 ( 0.473 15.998 -3.900) 16.473 15.384 ( -1.775 -4.842 -1.164) 5.286 15.384 ( 1.775 4.842 -1.164) 5.287 16.889 ( -0.025 -3.760 -10.516) 11.168 16.889 ( 0.025 3.760 -10.516) 11.168 19.188 ( -0.638 -7.210 -2.384) 7.621 19.188 ( 0.638 7.210 -2.384) 7.621 20.312 ( -4.523 -2.976 5.750) 7.898 20.312 ( 4.523 2.976 5.750) 7.898 39.261 ( -0.063 -3.559 7.766) 8.543 39.261 ( 0.063 3.559 7.766) 8.543 42.127 ( -0.272 -0.971 0.061) 1.010 42.127 ( 0.272 0.971 0.061) 1.010 56.171 ( -0.962 -2.778 -2.842) 4.089 56.171 ( 0.962 2.779 -2.842) 4.090 ======================= Grid point 1235 (351/420) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 420 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.324 ( 0.000 0.000 45.826) 45.826 6.158 ( 0.000 0.000 -40.366) 40.366 6.223 ( 0.000 0.000 48.131) 48.131 7.025 ( 0.000 0.000 -32.846) 32.846 8.977 ( 0.000 0.000 50.083) 50.083 9.807 ( 0.000 0.000 -34.044) 34.044 12.204 ( 0.000 0.000 1.341) 1.341 12.209 ( 0.000 0.000 0.831) 0.831 13.282 ( 0.000 0.000 7.636) 7.636 13.464 ( 0.000 0.000 -9.545) 9.545 15.510 ( 0.000 0.000 7.993) 7.993 15.670 ( 0.000 0.000 -8.404) 8.404 15.931 ( 0.000 0.000 11.044) 11.044 16.130 ( 0.000 0.000 -7.678) 7.678 18.864 ( 0.000 0.000 3.939) 3.939 18.998 ( 0.000 0.000 -9.979) 9.979 21.904 ( 0.000 0.000 1.929) 1.929 21.957 ( 0.000 0.000 -3.856) 3.856 37.005 ( 0.000 0.000 7.655) 7.655 37.157 ( 0.000 0.000 -7.940) 7.940 42.406 ( 0.000 0.000 26.571) 26.571 42.927 ( 0.000 0.000 -26.814) 26.814 59.197 ( 0.000 0.000 17.142) 17.142 59.573 ( 0.000 0.000 -21.559) 21.559 ======================= Grid point 1236 (352/420) ======================= q-point: ( 0.06 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.616 ( 27.915 0.000 44.512) 52.541 6.264 ( 5.892 0.000 42.887) 43.290 6.440 ( 25.824 0.000 -36.187) 44.457 7.043 ( 2.378 0.000 -31.486) 31.576 9.078 ( 10.693 0.000 48.396) 49.563 9.874 ( 7.338 0.000 -32.433) 33.253 12.298 ( 8.769 0.000 1.221) 8.854 12.303 ( 8.703 0.000 0.614) 8.725 13.297 ( 1.509 0.000 7.730) 7.876 13.481 ( 1.736 0.000 -9.697) 9.851 15.205 ( -21.799 0.000 6.195) 22.662 15.302 ( -22.227 0.000 -4.078) 22.598 16.285 ( 20.932 0.000 5.724) 21.700 16.400 ( 18.609 0.000 -4.826) 19.224 18.913 ( 4.937 0.000 2.953) 5.753 19.023 ( 2.608 0.000 -8.584) 8.972 21.842 ( -6.282 0.000 1.881) 6.557 21.896 ( -6.099 0.000 -4.057) 7.325 37.058 ( 5.341 0.000 7.898) 9.534 37.218 ( 6.096 0.000 -8.555) 10.505 42.396 ( -1.053 0.000 25.865) 25.886 42.901 ( -2.584 0.000 -25.948) 26.076 58.980 ( -21.709 0.000 14.636) 26.182 59.292 ( -27.849 0.000 -17.259) 32.763 ======================= Grid point 1237 (353/420) ======================= q-point: ( 0.11 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.291 ( 37.389 0.000 42.950) 56.945 6.451 ( 13.776 0.000 41.882) 44.089 7.087 ( 37.028 0.000 -38.612) 53.497 7.154 ( 10.106 0.000 -28.995) 30.706 9.426 ( 25.832 0.000 43.562) 50.645 10.128 ( 19.689 0.000 -27.953) 34.191 12.490 ( 8.730 0.000 0.567) 8.749 12.492 ( 9.352 0.000 0.801) 9.386 13.327 ( 0.571 0.000 8.533) 8.552 13.526 ( 2.346 0.000 -11.026) 11.273 14.851 ( -11.430 0.000 5.533) 12.699 14.943 ( -12.472 0.000 -4.524) 13.268 16.634 ( 14.020 0.000 4.390) 14.691 16.708 ( 11.918 0.000 -2.746) 12.230 19.048 ( 8.479 0.000 1.172) 8.559 19.102 ( 5.434 0.000 -4.831) 7.271 21.664 ( -11.786 0.000 1.863) 11.933 21.726 ( -11.068 0.000 -4.916) 12.111 37.207 ( 9.556 0.000 8.424) 12.739 37.384 ( 10.509 0.000 -9.939) 14.465 42.367 ( -1.840 0.000 23.865) 23.936 42.829 ( -4.609 0.000 -23.556) 24.002 58.382 ( -38.351 0.000 8.499) 39.281 58.543 ( -46.882 0.000 -7.496) 47.478 ======================= Grid point 1238 (354/420) ======================= q-point: ( 0.17 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.813 ( 23.137 0.000 36.245) 43.000 6.959 ( 29.553 0.000 40.160) 49.862 7.464 ( 21.293 0.000 -24.296) 32.306 7.772 ( 30.962 0.000 -37.639) 48.738 10.109 ( 43.551 0.000 36.196) 56.629 10.674 ( 35.927 0.000 -21.768) 42.007 12.597 ( 1.667 0.000 1.230) 2.072 12.613 ( 2.548 0.000 0.270) 2.562 13.270 ( -6.677 0.000 10.747) 12.652 13.526 ( -3.160 0.000 -15.467) 15.786 14.844 ( 11.082 0.000 3.017) 11.486 14.895 ( 8.645 0.000 -2.385) 8.968 16.820 ( 5.048 0.000 2.378) 5.580 16.857 ( 3.486 0.000 -1.188) 3.683 19.223 ( 8.712 0.000 1.131) 8.785 19.230 ( 7.350 0.000 -0.343) 7.358 21.390 ( -15.889 0.000 2.186) 16.038 21.476 ( -14.166 0.000 -6.958) 15.783 37.420 ( 11.980 0.000 8.790) 14.859 37.613 ( 12.483 0.000 -11.168) 16.750 42.327 ( -2.180 0.000 20.883) 20.997 42.727 ( -5.728 0.000 -20.132) 20.931 57.530 ( -47.412 0.000 1.645) 47.441 57.534 ( -54.490 0.000 1.975) 54.526 ======================= Grid point 1239 (355/420) ======================= q-point: ( 0.22 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.341 ( 30.369 0.000 30.354) 42.938 7.475 ( 24.508 0.000 34.967) 42.700 7.939 ( 26.097 0.000 -18.261) 31.851 8.276 ( 21.271 0.000 -34.864) 40.840 11.052 ( 49.218 0.000 26.765) 56.025 11.447 ( 38.285 0.000 -14.363) 40.891 12.561 ( -4.142 0.000 3.485) 5.413 12.609 ( -1.259 0.000 -1.154) 1.708 13.123 ( -6.015 0.000 12.149) 13.556 13.447 ( -2.217 0.000 -20.461) 20.581 15.219 ( 24.829 0.000 1.176) 24.857 15.240 ( 24.365 0.000 -0.752) 24.377 16.842 ( -2.349 0.000 1.098) 2.593 16.861 ( -2.529 0.000 -0.707) 2.626 19.368 ( 5.747 0.000 3.889) 6.939 19.373 ( 6.858 0.000 2.799) 7.407 21.054 ( -18.211 0.000 3.179) 18.487 21.185 ( -15.318 0.000 -10.376) 18.501 37.663 ( 12.536 0.000 8.595) 15.199 37.858 ( 12.220 0.000 -11.569) 16.828 42.285 ( -2.030 0.000 17.329) 17.448 42.612 ( -5.891 0.000 -16.226) 17.262 56.470 ( -53.119 0.000 7.847) 53.695 56.575 ( -49.147 0.000 -3.578) 49.277 ======================= Grid point 1240 (356/420) ======================= q-point: ( 0.28 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.940 ( 23.213 0.000 32.616) 40.033 7.973 ( 33.492 0.000 24.632) 41.575 8.469 ( 27.965 0.000 -17.117) 32.788 8.641 ( 16.863 0.000 -30.047) 34.456 11.741 ( 11.032 0.000 10.097) 14.955 11.873 ( 0.783 0.000 -4.187) 4.259 12.588 ( 10.368 0.000 5.667) 11.815 12.674 ( 6.986 0.000 -5.087) 8.642 13.146 ( 14.054 0.000 19.817) 24.295 13.599 ( 22.303 0.000 -24.171) 32.889 15.731 ( 25.601 0.000 0.849) 25.615 15.762 ( 27.023 0.000 -2.080) 27.103 16.758 ( -5.016 0.000 1.827) 5.338 16.786 ( -4.027 0.000 -0.830) 4.112 19.442 ( 1.872 0.000 7.833) 8.053 19.483 ( 4.051 0.000 4.014) 5.702 20.690 ( -18.680 0.000 4.882) 19.307 20.884 ( -15.371 0.000 -14.282) 20.982 37.901 ( 11.558 0.000 7.649) 13.860 38.081 ( 10.372 0.000 -10.949) 15.082 42.250 ( -1.485 0.000 13.601) 13.682 42.501 ( -5.285 0.000 -12.273) 13.362 55.492 ( -46.188 0.000 9.872) 47.232 55.645 ( -45.168 0.000 -6.271) 45.602 ======================= Grid point 1241 (357/420) ======================= q-point: ( 0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.388 ( 22.744 0.000 27.747) 35.878 8.622 ( 32.075 0.000 17.800) 36.683 8.961 ( 16.297 0.000 -22.622) 27.881 9.017 ( 27.478 0.000 -14.690) 31.158 11.606 ( -16.414 0.000 3.499) 16.783 11.658 ( -17.800 0.000 -2.015) 17.913 12.690 ( -1.018 0.000 -2.428) 2.633 12.719 ( -2.173 0.000 -5.860) 6.250 13.790 ( 43.436 0.000 26.826) 51.052 14.260 ( 39.087 0.000 -21.065) 44.402 16.121 ( 11.042 0.000 0.012) 11.042 16.173 ( 10.004 0.000 -5.688) 11.508 16.756 ( 9.743 0.000 4.052) 10.552 16.788 ( 7.457 0.000 0.505) 7.474 19.451 ( -0.553 0.000 10.172) 10.187 19.525 ( 0.250 0.000 4.564) 4.571 20.335 ( -17.382 0.000 6.437) 18.535 20.582 ( -15.661 0.000 -16.720) 22.909 38.108 ( 9.554 0.000 5.969) 11.265 38.258 ( 7.634 0.000 -9.431) 12.133 42.228 ( -0.729 0.000 10.001) 10.028 42.408 ( -4.244 0.000 -8.545) 9.541 54.684 ( -36.121 0.000 9.138) 37.259 54.834 ( -37.217 0.000 -6.617) 37.801 ======================= Grid point 1242 (358/420) ======================= q-point: ( 0.39 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.829 ( 22.142 0.000 20.905) 30.452 9.174 ( 21.456 0.000 -3.596) 21.755 9.309 ( 21.279 0.000 0.563) 21.286 9.518 ( 23.153 0.000 -10.611) 25.468 11.238 ( -19.987 0.000 1.443) 20.039 11.266 ( -21.194 0.000 -1.752) 21.267 12.628 ( -4.341 0.000 -4.186) 6.031 12.640 ( -5.038 0.000 -5.613) 7.542 14.598 ( 36.453 0.000 21.825) 42.487 14.958 ( 29.802 0.000 -14.767) 33.260 16.165 ( -2.874 0.000 -2.534) 3.832 16.168 ( -5.228 0.000 -3.321) 6.194 17.083 ( 19.305 0.000 4.057) 19.727 17.127 ( 22.927 0.000 -0.382) 22.931 19.434 ( -0.823 0.000 9.479) 9.515 19.496 ( -2.925 0.000 6.605) 7.223 20.024 ( -13.898 0.000 5.481) 14.940 20.269 ( -16.269 0.000 -16.056) 22.858 38.271 ( 7.010 0.000 3.699) 7.926 38.377 ( 4.563 0.000 -7.245) 8.563 42.221 ( 0.046 0.000 6.685) 6.685 42.336 ( -3.121 0.000 -5.159) 6.029 54.091 ( -24.297 0.000 6.802) 25.232 54.206 ( -26.674 0.000 -5.223) 27.181 ======================= Grid point 1243 (359/420) ======================= q-point: ( 0.44 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 700 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.234 ( 18.317 0.000 12.833) 22.365 9.456 ( 8.781 0.000 -9.138) 12.673 9.749 ( 20.637 0.000 9.781) 22.837 9.897 ( 14.781 0.000 -4.967) 15.593 10.858 ( -17.670 0.000 -0.914) 17.693 10.868 ( -18.225 0.000 -2.218) 18.360 12.544 ( -3.647 0.000 -5.035) 6.217 12.547 ( -3.912 0.000 -5.355) 6.632 15.159 ( 20.381 0.000 14.610) 25.077 15.363 ( 10.880 0.000 -5.679) 12.273 16.089 ( -1.618 0.000 -2.730) 3.174 16.110 ( -1.785 0.000 -4.052) 4.428 17.442 ( 15.832 0.000 5.539) 16.773 17.518 ( 14.795 0.000 -2.135) 14.949 19.424 ( -0.266 0.000 6.976) 6.981 19.433 ( -2.677 0.000 9.040) 9.428 19.812 ( -7.177 0.000 0.758) 7.217 19.962 ( -14.160 0.000 -11.640) 18.330 38.381 ( 4.257 0.000 1.039) 4.382 38.436 ( 1.505 0.000 -4.631) 4.869 42.229 ( 0.740 0.000 3.652) 3.726 42.285 ( -2.157 0.000 -2.090) 3.003 53.739 ( -11.524 0.000 3.703) 12.105 53.801 ( -14.551 0.000 -2.718) 14.803 ======================= Grid point 1244 (360/420) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.490 ( -5.716 0.000 2.109) 6.093 9.490 ( 5.716 0.000 2.109) 6.093 10.028 ( -3.958 0.000 4.100) 5.699 10.028 ( 3.958 0.000 4.100) 5.699 10.648 ( -0.390 0.000 -3.765) 3.785 10.648 ( 0.391 0.000 -3.765) 3.785 12.505 ( -0.000 0.000 -5.296) 5.296 12.505 ( 0.000 0.000 -5.296) 5.296 15.405 ( -2.597 0.000 5.197) 5.810 15.405 ( 2.597 0.000 5.197) 5.810 16.091 ( -0.337 0.000 -4.051) 4.065 16.091 ( 0.337 0.000 -4.051) 4.065 17.641 ( -0.677 0.000 2.268) 2.367 17.641 ( 0.677 0.000 2.268) 2.367 19.416 ( -0.042 0.000 6.682) 6.683 19.416 ( 0.042 0.000 6.682) 6.683 19.772 ( -2.247 0.000 -4.723) 5.230 19.772 ( 2.247 0.000 -4.723) 5.230 38.437 ( -0.524 0.000 -1.803) 1.878 38.437 ( 0.524 0.000 -1.803) 1.878 42.250 ( -1.192 0.000 0.787) 1.428 42.250 ( 1.192 0.000 0.787) 1.428 53.642 ( -0.766 0.000 0.393) 0.861 53.642 ( 0.766 0.000 0.393) 0.861 ======================= Grid point 1254 (361/420) ======================= q-point: ( 0.00 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.416 ( 0.000 9.007 43.986) 44.899 6.211 ( 0.000 -0.083 47.862) 47.862 6.217 ( 0.000 5.785 -38.786) 39.216 7.024 ( 0.000 0.157 -35.039) 35.039 9.251 ( 0.000 26.350 49.630) 56.191 10.058 ( 0.000 23.770 -33.206) 40.837 12.151 ( 0.000 -4.578 2.705) 5.318 12.185 ( 0.000 -3.005 -0.718) 3.089 13.113 ( 0.000 -15.007 11.909) 19.159 13.369 ( 0.000 -8.783 -12.735) 15.469 15.518 ( 0.000 0.743 7.653) 7.689 15.671 ( 0.000 0.056 -8.029) 8.029 15.949 ( 0.000 1.312 13.464) 13.527 16.194 ( 0.000 4.390 -10.986) 11.831 18.924 ( 0.000 7.686 11.450) 13.790 19.199 ( 0.000 17.386 -16.323) 23.848 21.835 ( 0.000 -6.290 3.915) 7.409 21.929 ( 0.000 -3.132 -6.249) 6.990 37.012 ( 0.000 0.668 7.418) 7.448 37.159 ( 0.000 0.190 -7.684) 7.686 42.391 ( 0.000 -1.528 24.606) 24.653 42.885 ( 0.000 -4.123 -25.882) 26.209 59.116 ( 0.000 -4.939 28.998) 29.415 59.736 ( 0.000 12.351 -35.572) 37.655 ======================= Grid point 1255 (362/420) ======================= q-point: ( 0.06 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.702 ( 27.355 8.495 42.878) 51.565 6.265 ( 6.350 0.788 44.939) 45.392 6.492 ( 26.110 5.389 -37.096) 45.682 7.050 ( 3.114 0.875 -33.492) 33.648 9.330 ( 8.573 24.257 47.559) 54.072 10.098 ( 4.697 21.164 -31.241) 38.026 12.246 ( 8.385 -4.471 2.487) 9.823 12.275 ( 8.506 -3.181 -0.602) 9.101 13.136 ( 2.489 -14.126 11.128) 18.154 13.380 ( 1.377 -9.118 -12.344) 15.408 15.279 ( -17.842 6.169 5.886) 19.775 15.370 ( -18.819 5.834 -3.746) 20.055 16.249 ( 18.616 -3.379 7.481) 20.345 16.403 ( 15.369 -0.511 -7.543) 17.128 18.960 ( 3.691 6.774 10.694) 13.186 19.216 ( 1.754 16.320 -15.081) 22.290 21.770 ( -6.592 -6.544 4.103) 10.155 21.869 ( -5.968 -3.111 -6.626) 9.445 37.067 ( 5.517 0.840 7.642) 9.463 37.221 ( 6.204 0.291 -8.229) 10.310 42.381 ( -1.009 -1.481 23.965) 24.032 42.861 ( -2.442 -3.983 -25.060) 25.492 58.901 ( -21.505 -4.309 26.963) 34.757 59.467 ( -26.719 13.086 -31.774) 43.528 ======================= Grid point 1256 (363/420) ======================= q-point: ( 0.11 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.337 ( 30.025 4.457 42.432) 52.171 6.498 ( 21.634 5.164 40.004) 45.771 7.121 ( 27.702 3.255 -36.644) 46.052 7.198 ( 20.311 4.523 -30.431) 36.865 9.621 ( 22.354 18.774 41.826) 51.005 10.284 ( 15.596 14.739 -26.196) 33.863 12.404 ( 6.225 -6.999 3.983) 10.179 12.462 ( 8.488 -3.622 -1.845) 9.411 13.209 ( 4.431 -9.728 9.716) 14.446 13.437 ( 4.654 -7.980 -12.320) 15.399 14.983 ( -9.968 11.131 4.695) 15.662 15.060 ( -11.290 10.372 -3.879) 15.814 16.564 ( 12.864 -6.504 5.721) 15.509 16.669 ( 10.667 -4.295 -4.723) 12.432 19.062 ( 6.417 4.227 8.991) 11.827 19.267 ( 3.307 12.907 -11.548) 17.632 21.584 ( -12.193 -7.110 4.790) 14.905 21.704 ( -10.650 -2.849 -7.970) 13.604 37.220 ( 9.887 1.332 8.145) 12.879 37.391 ( 10.775 0.646 -9.472) 14.361 42.354 ( -1.762 -1.350 22.149) 22.260 42.793 ( -4.357 -3.595 -22.781) 23.471 58.306 ( -38.240 -2.431 22.293) 44.331 58.748 ( -44.910 14.669 -23.427) 52.735 ======================= Grid point 1257 (364/420) ======================= q-point: ( 0.17 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.786 ( 23.305 -0.251 37.257) 43.947 7.081 ( 28.855 9.625 33.794) 45.467 7.480 ( 21.648 2.279 -22.669) 31.427 7.852 ( 31.692 7.699 -35.086) 47.903 10.231 ( 39.655 11.436 33.450) 53.124 10.743 ( 31.322 6.291 -19.471) 37.414 12.463 ( 0.073 -10.600 5.452) 11.921 12.550 ( 0.290 -5.813 -2.861) 6.486 13.264 ( 0.202 -0.391 10.837) 10.846 13.533 ( 3.525 -0.454 -16.163) 16.549 14.957 ( 8.034 10.173 2.482) 13.198 14.996 ( 6.153 9.486 -1.810) 11.450 16.737 ( 4.627 -7.862 4.044) 9.979 16.806 ( 3.492 -5.321 -3.022) 7.045 19.195 ( 6.585 0.565 7.755) 10.190 19.341 ( 4.114 7.451 -6.798) 10.893 21.305 ( -15.989 -7.418 6.200) 18.685 21.466 ( -13.337 -1.952 -10.540) 17.111 37.442 ( 12.440 2.095 8.532) 15.229 37.627 ( 12.944 1.338 -10.596) 16.781 42.315 ( -2.086 -1.168 19.438) 19.584 42.696 ( -5.419 -3.044 -19.507) 20.473 57.454 ( -47.594 0.861 17.923) 50.864 57.784 ( -52.062 15.709 -16.157) 56.730 ======================= Grid point 1258 (365/420) ======================= q-point: ( 0.22 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.305 ( 29.334 -1.282 31.559) 43.106 7.591 ( 24.689 8.583 25.721) 36.671 7.951 ( 25.098 2.373 -13.010) 28.369 8.368 ( 21.492 8.731 -32.806) 40.179 11.093 ( 44.188 2.953 22.915) 49.864 11.423 ( 33.147 -3.087 -11.730) 35.297 12.439 ( -1.121 -9.270 6.224) 11.222 12.530 ( 1.179 -4.661 -2.253) 5.309 13.226 ( -2.716 8.145 12.165) 14.890 13.558 ( 0.700 8.466 -21.131) 22.774 15.262 ( 21.370 4.195 1.954) 21.866 15.293 ( 22.119 5.035 -1.115) 22.712 16.752 ( -2.447 -8.177 3.529) 9.235 16.817 ( -2.067 -5.007 -2.997) 6.191 19.296 ( 3.286 -4.009 8.816) 10.227 19.424 ( 4.241 1.995 -3.763) 6.011 20.973 ( -17.651 -6.724 8.537) 20.728 21.195 ( -14.136 -0.262 -13.993) 19.892 37.694 ( 13.080 3.060 8.436) 15.862 37.882 ( 12.865 2.390 -10.994) 17.091 42.275 ( -1.942 -0.975 16.200) 16.345 42.587 ( -5.576 -2.432 -15.754) 16.888 56.497 ( -49.022 5.304 15.331) 51.637 56.765 ( -51.121 15.600 -12.480) 54.886 ======================= Grid point 1259 (366/420) ======================= q-point: ( 0.28 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.902 ( 30.537 -1.320 27.565) 41.159 8.075 ( 25.348 7.324 25.004) 36.351 8.450 ( 26.017 -0.520 -14.569) 29.823 8.730 ( 16.584 8.250 -28.314) 33.834 11.646 ( 6.076 -9.446 8.564) 14.124 11.782 ( 0.598 -8.782 -5.576) 10.420 12.589 ( 17.280 1.737 9.101) 19.607 12.700 ( 12.843 2.347 -3.689) 13.566 13.256 ( 10.879 9.550 18.044) 23.133 13.698 ( 18.331 8.671 -24.238) 31.602 15.713 ( 22.339 -1.636 2.363) 22.523 15.769 ( 24.260 0.395 -3.122) 24.464 16.678 ( -3.580 -7.143 4.183) 9.019 16.750 ( -3.497 -4.174 -3.129) 6.280 19.324 ( -0.086 -8.327 11.919) 14.540 19.493 ( 2.442 -2.094 -4.363) 5.421 20.627 ( -17.403 -4.546 11.746) 21.482 20.918 ( -14.164 1.829 -17.069) 22.256 37.943 ( 12.114 4.119 7.691) 14.928 38.119 ( 11.147 3.732 -10.493) 15.757 42.242 ( -1.421 -0.816 12.793) 12.897 42.483 ( -5.009 -1.856 -11.942) 13.082 55.580 ( -43.888 9.385 13.440) 46.849 55.813 ( -45.579 15.479 -10.826) 49.338 ======================= Grid point 1260 (367/420) ======================= q-point: ( 0.33 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.435 ( 23.787 4.092 26.107) 35.555 8.621 ( 30.124 0.193 18.547) 35.376 8.946 ( 22.679 -1.656 -16.581) 28.142 9.055 ( 18.416 4.562 -19.929) 27.516 11.520 ( -13.698 -7.978 4.480) 16.473 11.599 ( -14.944 -5.388 -3.632) 16.296 12.708 ( -2.527 3.950 3.268) 5.715 12.843 ( -0.571 8.864 -10.631) 13.853 13.822 ( 40.747 2.948 26.408) 48.646 14.284 ( 36.261 1.962 -20.454) 41.678 16.016 ( 6.011 -9.426 2.711) 11.503 16.115 ( 7.331 -6.242 -7.571) 12.249 16.717 ( 10.274 -3.184 5.479) 12.071 16.786 ( 10.754 -1.001 -1.542) 10.910 19.309 ( -0.980 -10.278 13.510) 17.003 19.512 ( -0.416 -4.935 -5.898) 7.702 20.300 ( -15.901 -1.250 14.694) 21.687 20.636 ( -14.785 3.639 -18.239) 23.759 38.161 ( 10.012 5.107 6.335) 12.902 38.312 ( 8.460 5.229 -9.228) 13.567 42.221 ( -0.701 -0.719 9.485) 9.538 42.394 ( -4.029 -1.381 -8.339) 9.364 54.806 ( -34.742 12.336 11.060) 38.490 55.002 ( -37.023 15.942 -9.187) 41.343 ======================= Grid point 1261 (368/420) ======================= q-point: ( 0.39 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.869 ( 20.851 3.650 20.468) 29.445 9.186 ( 25.196 0.046 5.282) 25.744 9.289 ( 16.040 -0.639 -7.661) 17.787 9.481 ( 22.017 -3.136 -10.597) 24.634 11.204 ( -17.450 -2.842 3.131) 17.955 11.270 ( -17.948 -0.016 -3.554) 18.296 12.615 ( -5.768 2.250 3.109) 6.928 12.767 ( -5.493 8.900 -12.489) 16.290 14.585 ( 33.997 -2.160 21.664) 40.371 14.940 ( 28.233 -2.687 -14.185) 31.710 16.006 ( -3.316 -11.959 1.624) 12.516 16.095 ( -5.171 -9.231 -7.521) 12.982 17.026 ( 17.949 -4.127 7.547) 19.904 17.140 ( 21.371 -0.513 -4.075) 21.762 19.301 ( 0.508 -9.148 12.438) 15.448 19.486 ( -1.862 -5.686 -5.023) 7.812 20.011 ( -13.415 1.586 14.566) 19.866 20.336 ( -15.932 4.774 -16.840) 23.669 38.330 ( 7.208 5.805 4.574) 10.324 38.448 ( 5.386 6.719 -7.488) 11.412 42.214 ( 0.034 -0.697 6.417) 6.454 42.325 ( -2.964 -1.025 -5.070) 5.961 54.234 ( -23.502 14.284 8.065) 28.660 54.379 ( -26.324 16.673 -6.909) 31.917 ======================= Grid point 1262 (369/420) ======================= q-point: ( 0.44 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.239 ( 16.256 0.094 12.631) 20.587 9.463 ( 6.950 0.225 -9.562) 11.823 9.701 ( 20.578 -3.905 10.420) 23.394 9.847 ( 14.341 -4.153 -4.407) 15.567 10.878 ( -14.555 2.454 0.821) 14.783 10.927 ( -16.053 4.653 -4.058) 17.200 12.510 ( -4.384 0.702 2.907) 5.307 12.665 ( -4.307 7.883 -12.873) 15.697 15.080 ( 15.817 -9.634 16.336) 24.696 15.331 ( 11.586 -5.187 -7.945) 14.976 15.969 ( -0.325 -9.602 -1.137) 9.674 16.019 ( -1.155 -7.908 -5.304) 9.592 17.337 ( 12.488 -7.929 10.271) 18.009 17.510 ( 14.637 -2.768 -7.391) 16.630 19.335 ( 2.771 -5.276 10.373) 11.963 19.457 ( -0.795 -3.723 0.273) 3.816 19.796 ( -7.563 2.312 7.645) 10.999 20.025 ( -15.116 4.818 -12.897) 20.446 38.439 ( 3.913 5.984 2.814) 7.683 38.523 ( 2.417 8.047 -5.728) 10.169 42.221 ( 0.657 -0.769 3.616) 3.755 42.277 ( -2.009 -0.751 -2.151) 3.038 53.893 ( -11.378 15.316 4.911) 19.702 53.982 ( -14.091 17.367 -4.224) 22.760 ======================= Grid point 1263 (370/420) ======================= q-point: (-0.50 0.08 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.442 ( 0.000 -3.936 4.301) 5.831 9.502 ( -0.000 -0.213 -0.750) 0.780 9.955 ( 0.000 -4.534 6.340) 7.795 9.984 ( -0.000 -4.354 2.586) 5.065 10.719 ( 0.000 6.083 -2.992) 6.779 10.729 ( -0.000 7.079 -4.044) 8.153 12.464 ( 0.000 0.137 2.848) 2.851 12.620 ( 0.000 7.468 -12.978) 14.973 15.223 ( 0.000 -15.333 13.726) 20.579 15.433 ( 0.000 -4.723 -5.784) 7.467 15.970 ( 0.000 -9.299 -1.064) 9.359 16.026 ( 0.000 -4.976 -4.990) 7.047 17.467 ( 0.000 -10.492 11.407) 15.499 17.660 ( 0.000 -3.680 -8.226) 9.012 19.376 ( 0.000 -1.050 10.336) 10.390 19.450 ( 0.000 -3.734 5.671) 6.790 19.758 ( 0.000 4.444 -3.990) 5.972 19.814 ( 0.000 2.152 -6.901) 7.228 38.479 ( 0.000 5.820 1.946) 6.137 38.546 ( 0.000 8.748 -4.859) 10.007 42.235 ( 0.000 -1.091 1.583) 1.923 42.251 ( 0.000 -0.367 -0.079) 0.376 53.784 ( 0.000 15.424 3.066) 15.726 53.840 ( 0.000 17.857 -2.538) 18.036 ======================= Grid point 1273 (371/420) ======================= q-point: ( 0.00 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.668 ( 0.000 15.803 38.952) 42.035 6.279 ( 0.000 8.151 44.558) 45.298 6.378 ( 0.000 9.979 -34.290) 35.712 7.059 ( 0.000 4.224 -35.259) 35.511 9.941 ( 0.000 39.997 44.917) 60.144 10.663 ( 0.000 34.260 -30.117) 45.616 12.029 ( 0.000 -7.460 3.841) 8.391 12.091 ( 0.000 -6.281 -2.406) 6.726 12.775 ( 0.000 -16.863 19.831) 26.031 13.173 ( 0.000 -8.954 -18.627) 20.667 15.538 ( 0.000 1.270 6.725) 6.844 15.672 ( 0.000 0.076 -7.000) 7.000 15.947 ( 0.000 -2.388 15.250) 15.436 16.226 ( 0.000 -2.297 -13.619) 13.811 19.168 ( 0.000 15.662 20.969) 26.172 19.599 ( 0.000 20.443 -22.064) 30.079 21.676 ( 0.000 -9.166 7.050) 11.564 21.841 ( 0.000 -4.911 -10.871) 11.929 37.031 ( 0.000 1.192 6.734) 6.839 37.164 ( 0.000 0.295 -6.946) 6.952 42.344 ( 0.000 -3.223 19.602) 19.865 42.767 ( 0.000 -7.488 -23.422) 24.590 59.057 ( 0.000 -0.828 41.277) 41.285 59.958 ( 0.000 8.379 -52.470) 53.135 ======================= Grid point 1274 (372/420) ======================= q-point: ( 0.06 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.942 ( 26.162 15.118 38.020) 48.565 6.338 ( 6.870 7.544 41.120) 42.367 6.650 ( 26.027 10.211 -32.055) 42.534 7.098 ( 4.402 4.777 -33.731) 34.351 9.962 ( 2.902 36.281 42.193) 55.722 10.630 ( -2.123 29.430 -27.247) 40.162 12.138 ( 8.204 -5.694 4.265) 10.859 12.188 ( 9.584 -4.956 -1.163) 10.852 12.824 ( 5.656 -15.374 16.207) 23.044 13.179 ( 1.114 -9.301 -17.369) 19.734 15.402 ( -11.068 5.481 5.552) 13.542 15.488 ( -11.942 5.230 -3.125) 13.407 16.151 ( 13.750 -6.584 9.261) 17.837 16.346 ( 9.802 -5.715 -10.457) 15.431 19.181 ( 1.325 14.322 19.973) 24.613 19.589 ( -1.038 19.075 -20.697) 28.166 21.604 ( -7.231 -9.612 7.526) 14.188 21.779 ( -6.180 -5.287 -11.314) 13.934 37.091 ( 6.007 1.499 6.919) 9.284 37.229 ( 6.525 0.495 -7.324) 9.821 42.335 ( -0.852 -3.111 19.117) 19.387 42.747 ( -2.044 -7.236 -22.705) 23.918 58.862 ( -19.525 0.400 39.179) 43.777 59.708 ( -24.824 9.696 -48.754) 55.563 ======================= Grid point 1275 (373/420) ======================= q-point: ( 0.11 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.474 ( 18.541 9.708 38.757) 44.047 6.662 ( 32.272 10.809 33.580) 47.812 7.223 ( 16.552 7.593 -30.851) 35.825 7.337 ( 34.067 9.222 -29.372) 45.916 10.102 ( 12.745 26.711 35.209) 45.996 10.645 ( 5.224 19.212 -21.559) 29.345 12.249 ( 2.696 -6.927 10.867) 13.166 12.394 ( 8.418 -1.817 -3.847) 9.432 13.009 ( 12.411 -9.557 8.861) 17.997 13.260 ( 8.455 -8.494 -14.521) 18.828 15.208 ( -7.031 10.139 4.863) 13.263 15.289 ( -7.463 11.232 -3.778) 14.005 16.391 ( 10.074 -10.482 7.236) 16.240 16.533 ( 8.267 -9.181 -7.308) 14.354 19.214 ( 1.866 10.283 17.245) 20.165 19.558 ( -2.169 15.025 -16.958) 22.760 21.404 ( -12.833 -10.524 9.164) 18.958 21.612 ( -10.424 -5.859 -12.875) 17.571 37.258 ( 10.798 2.367 7.369) 13.286 37.409 ( 11.515 1.150 -8.206) 14.187 42.312 ( -1.487 -2.806 17.743) 18.025 42.690 ( -3.650 -6.538 -20.707) 22.019 58.323 ( -34.627 3.765 33.945) 48.637 59.036 ( -42.374 12.894 -39.914) 59.623 ======================= Grid point 1276 (374/420) ======================= q-point: ( 0.17 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.842 ( 21.533 6.136 34.207) 40.883 7.272 ( 25.562 8.202 12.093) 29.444 7.607 ( 25.637 11.810 -5.045) 28.674 8.057 ( 33.997 12.333 -30.224) 47.132 10.498 ( 27.705 12.939 25.040) 39.521 10.875 ( 18.366 5.475 -14.653) 24.124 12.265 ( 0.166 -6.790 14.055) 15.610 12.472 ( 0.636 -0.353 -5.825) 5.870 13.245 ( 10.261 -1.721 8.417) 13.382 13.494 ( 13.133 -2.896 -15.792) 20.743 15.174 ( 4.225 10.288 3.643) 11.703 15.236 ( 3.089 13.122 -2.940) 13.798 16.526 ( 3.483 -12.726 6.583) 14.745 16.649 ( 3.371 -10.146 -6.076) 12.297 19.241 ( 0.459 3.803 13.976) 14.491 19.507 ( -2.899 8.706 -12.483) 15.493 21.121 ( -15.455 -10.581 12.138) 22.319 21.389 ( -12.054 -5.565 -15.470) 20.386 37.500 ( 13.676 3.681 7.810) 16.173 37.664 ( 14.164 2.334 -9.041) 16.965 42.280 ( -1.759 -2.381 15.691) 15.968 42.609 ( -4.548 -5.543 -17.807) 19.196 57.553 ( -42.861 8.501 27.780) 51.780 58.116 ( -50.075 16.548 -30.387) 60.866 ======================= Grid point 1277 (375/420) ======================= q-point: ( 0.22 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.324 ( 27.428 3.381 29.042) 40.090 7.731 ( 23.437 4.535 -0.831) 23.886 8.108 ( 23.553 14.548 10.832) 29.727 8.606 ( 22.128 14.700 -29.010) 39.335 11.096 ( 28.201 -4.213 12.881) 31.288 11.297 ( 21.224 -9.546 -8.062) 24.629 12.324 ( 8.538 -0.117 14.712) 17.010 12.511 ( 6.309 2.886 -3.475) 7.759 13.380 ( 3.923 6.620 11.013) 13.435 13.703 ( 8.181 5.447 -20.659) 22.878 15.367 ( 14.470 5.557 3.745) 15.946 15.429 ( 15.823 8.174 -2.520) 17.987 16.534 ( -2.098 -13.210 6.937) 15.068 16.664 ( -1.526 -9.950 -6.546) 12.008 19.219 ( -2.768 -3.469 12.618) 13.376 19.452 ( -2.690 0.906 -10.603) 10.977 20.820 ( -14.914 -8.167 15.984) 23.337 21.153 ( -11.898 -3.939 -17.954) 21.896 37.779 ( 14.517 5.293 7.952) 17.378 37.948 ( 14.514 4.028 -9.381) 17.745 42.246 ( -1.637 -1.937 13.235) 13.476 42.517 ( -4.693 -4.438 -14.449) 15.827 56.692 ( -44.108 13.714 22.268) 51.278 57.130 ( -49.680 19.823 -22.886) 58.179 ======================= Grid point 1278 (376/420) ======================= q-point: ( 0.28 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.895 ( 30.443 0.642 24.214) 38.904 8.203 ( 24.365 3.579 4.732) 25.077 8.530 ( 20.415 10.801 6.054) 23.876 8.956 ( 14.664 14.230 -26.092) 33.141 11.395 ( 2.832 -14.582 7.567) 16.671 11.549 ( 2.495 -13.698 -7.910) 16.013 12.676 ( 22.038 5.722 9.428) 24.644 12.751 ( 15.778 2.350 0.868) 15.975 13.473 ( 9.290 11.497 16.175) 21.912 13.888 ( 14.012 9.265 -23.179) 28.626 15.665 ( 13.103 -3.426 5.507) 14.620 15.772 ( 16.239 -0.181 -5.237) 17.063 16.496 ( 0.609 -10.418 6.747) 12.427 16.622 ( -0.955 -8.325 -6.176) 10.410 19.149 ( -3.705 -8.587 13.225) 16.198 19.396 ( -3.162 -6.865 -11.601) 13.846 20.549 ( -12.739 -3.129 19.135) 23.200 20.923 ( -11.749 -1.506 -18.929) 22.330 38.057 ( 13.573 7.025 7.661) 17.096 38.220 ( 13.063 6.088 -9.099) 17.044 42.218 ( -1.198 -1.565 10.631) 10.812 42.429 ( -4.233 -3.396 -11.007) 12.272 55.864 ( -39.741 18.596 17.672) 47.302 56.206 ( -44.115 22.671 -17.538) 52.609 ======================= Grid point 1279 (377/420) ======================= q-point: ( 0.33 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.483 ( 28.312 -0.662 20.574) 35.005 8.665 ( 23.071 3.535 13.889) 27.160 8.936 ( 21.274 3.188 -4.997) 22.084 9.210 ( 11.929 10.982 -21.449) 26.888 11.326 ( -7.765 -10.565 7.103) 14.912 11.467 ( -8.503 -7.346 -7.078) 13.281 12.817 ( -2.196 5.596 7.516) 9.624 13.013 ( 3.498 6.936 -12.072) 14.356 13.889 ( 31.032 3.401 24.066) 39.417 14.311 ( 26.810 0.116 -18.381) 32.506 15.784 ( -0.393 -13.028 6.234) 14.448 15.937 ( -0.352 -10.954 -9.311) 14.381 16.638 ( 13.313 -4.642 6.044) 15.340 16.739 ( 14.269 -3.590 -3.985) 15.243 19.097 ( -1.163 -10.219 12.679) 16.326 19.331 ( -3.168 -11.610 -11.059) 16.344 20.317 ( -11.199 2.418 19.523) 22.636 20.685 ( -12.753 1.029 -17.956) 22.048 38.301 ( 11.263 8.654 6.984) 15.828 38.451 ( 10.412 8.272 -8.321) 15.686 42.200 ( -0.590 -1.327 8.066) 8.195 42.354 ( -3.426 -2.536 -7.739) 8.835 55.162 ( -31.638 22.643 13.579) 41.207 55.424 ( -35.510 25.196 -13.367) 45.546 ======================= Grid point 1280 (378/420) ======================= q-point: ( 0.39 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.931 ( 17.504 0.388 18.711) 25.625 9.145 ( 24.873 -2.665 9.186) 26.649 9.313 ( 15.011 1.725 -7.325) 16.792 9.464 ( 16.009 4.211 -12.436) 20.705 11.139 ( -10.527 -3.263 5.981) 12.540 11.264 ( -11.697 -0.423 -6.496) 13.387 12.711 ( -7.099 6.701 9.051) 13.313 12.967 ( -5.524 10.398 -17.105) 20.765 14.454 ( 22.389 -12.278 20.629) 32.827 14.788 ( 19.069 -14.229 -12.457) 26.856 15.765 ( 1.023 -10.602 2.687) 10.985 15.865 ( -3.423 -11.710 -7.531) 14.337 16.932 ( 14.860 -5.267 8.734) 18.024 17.089 ( 18.720 -4.494 -7.065) 20.507 19.115 ( 3.012 -9.025 10.341) 14.052 19.287 ( -0.960 -12.055 -7.038) 13.992 20.105 ( -10.453 6.590 16.362) 20.504 20.420 ( -14.364 3.476 -15.369) 21.322 38.491 ( 8.012 9.943 6.112) 14.157 38.623 ( 7.101 10.268 -7.319) 14.472 42.195 ( 0.025 -1.241 5.639) 5.774 42.296 ( -2.530 -1.898 -4.785) 5.736 54.641 ( -21.440 25.645 9.707) 34.808 54.829 ( -25.054 27.278 -9.642) 38.272 ======================= Grid point 1281 (379/420) ======================= q-point: ( 0.44 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.205 ( 10.615 -4.281 12.595) 17.018 9.429 ( 4.712 -4.510 -9.266) 11.332 9.657 ( 19.595 0.898 10.078) 22.053 9.787 ( 13.890 -0.400 -2.981) 14.212 10.943 ( -8.556 3.806 2.755) 9.761 11.031 ( -11.324 5.447 -5.986) 13.919 12.580 ( -5.436 6.358 9.648) 12.770 12.856 ( -4.818 11.147 -18.397) 22.043 14.705 ( 4.910 -27.950 17.964) 33.586 15.019 ( 5.276 -27.743 -12.648) 30.943 15.825 ( 3.849 -3.379 1.581) 5.361 15.891 ( 5.119 -4.318 -4.254) 7.934 17.171 ( 8.864 -8.292 12.039) 17.095 17.400 ( 11.820 -7.892 -11.199) 18.095 19.205 ( 5.523 -7.896 8.272) 12.700 19.301 ( 2.028 -9.207 -0.608) 9.447 19.927 ( -6.602 9.032 8.924) 14.311 20.135 ( -14.077 6.106 -11.218) 19.008 38.611 ( 4.165 10.722 5.347) 12.685 38.727 ( 3.554 11.721 -6.453) 13.843 42.200 ( 0.491 -1.313 3.416) 3.692 42.255 ( -1.653 -1.440 -2.237) 3.132 54.329 ( -10.435 27.492 6.257) 30.064 54.452 ( -13.278 28.677 -6.336) 32.230 ======================= Grid point 1282 (380/420) ======================= q-point: (-0.50 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.321 ( 0.000 -7.984 7.823) 11.178 9.462 ( -0.000 -4.288 -5.426) 6.915 9.900 ( 0.000 -0.478 6.459) 6.477 9.914 ( -0.000 -1.507 4.477) 4.724 10.855 ( 0.000 7.126 -1.341) 7.251 10.890 ( 0.000 8.474 -4.971) 9.825 12.523 ( 0.000 6.075 9.866) 11.586 12.805 ( 0.000 11.213 -18.728) 21.828 14.739 ( 0.000 -32.762 17.223) 37.014 15.057 ( 0.000 -32.635 -14.086) 35.546 15.875 ( 0.000 -0.456 3.274) 3.306 15.956 ( 0.000 -2.269 -4.265) 4.831 17.260 ( 0.000 -9.844 13.524) 16.727 17.520 ( 0.000 -9.635 -12.959) 16.149 19.279 ( 0.000 -10.795 8.372) 13.661 19.326 ( -0.000 -4.360 4.148) 6.018 19.899 ( 0.000 6.710 -1.831) 6.955 19.932 ( 0.000 10.781 -4.792) 11.798 38.652 ( 0.000 10.967 5.034) 12.067 38.762 ( 0.000 12.266 -6.102) 13.700 42.208 ( 0.000 -1.510 2.049) 2.545 42.236 ( 0.000 -1.124 -0.760) 1.357 54.228 ( 0.000 28.094 4.543) 28.459 54.320 ( 0.000 29.194 -4.676) 29.566 ======================= Grid point 1292 (381/420) ======================= q-point: ( 0.00 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.021 ( 0.000 18.979 31.741) 36.983 6.560 ( 0.000 19.962 37.012) 42.052 6.596 ( 0.000 11.309 -27.426) 29.666 7.220 ( 0.000 12.167 -30.458) 32.798 10.698 ( 0.000 31.266 35.489) 47.297 11.289 ( 0.000 24.343 -25.739) 35.427 11.865 ( 0.000 -8.741 4.245) 9.717 11.943 ( 0.000 -8.272 -3.702) 9.063 12.533 ( 0.000 -3.890 30.122) 30.372 13.107 ( 0.000 5.190 -24.784) 25.322 15.566 ( 0.000 1.468 5.433) 5.628 15.673 ( 0.000 0.032 -5.561) 5.561 15.839 ( 0.000 -8.502 14.279) 16.619 16.094 ( 0.000 -10.580 -12.493) 16.371 19.483 ( 0.000 14.099 23.681) 27.560 19.917 ( 0.000 9.445 -19.070) 21.280 21.499 ( 0.000 -7.731 11.758) 14.072 21.781 ( 0.000 0.209 -17.875) 17.876 37.058 ( 0.000 1.458 5.687) 5.871 37.170 ( 0.000 0.260 -5.825) 5.831 42.267 ( 0.000 -4.267 13.193) 13.866 42.597 ( 0.000 -9.306 -20.052) 22.106 59.076 ( 0.000 2.499 42.166) 42.240 60.037 ( 0.000 -0.688 -57.554) 57.558 ======================= Grid point 1293 (382/420) ======================= q-point: ( 0.06 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.279 ( 24.826 17.929 30.448) 43.184 6.585 ( 5.208 17.032 29.295) 34.284 6.882 ( 25.797 12.797 -20.255) 35.207 7.266 ( 5.080 12.326 -28.965) 31.886 10.625 ( -5.633 25.830 31.431) 41.072 11.134 ( -11.196 17.597 -21.452) 29.920 12.057 ( 12.787 -2.363 5.631) 14.170 12.096 ( 14.053 -4.436 0.618) 14.749 12.595 ( 7.542 -4.624 22.375) 24.061 13.103 ( 0.253 4.735 -23.427) 23.902 15.482 ( -7.133 2.321 5.496) 9.299 15.562 ( -6.295 1.891 -2.194) 6.929 15.990 ( 10.114 -9.099 8.346) 15.960 16.174 ( 6.941 -11.164 -10.206) 16.643 19.472 ( -1.171 13.200 22.857) 26.421 19.890 ( -2.737 9.316 -18.366) 20.774 21.415 ( -8.378 -8.522 12.168) 17.056 21.702 ( -7.712 -1.130 -17.921) 19.543 37.124 ( 6.700 1.829 5.838) 9.072 37.240 ( 7.020 0.530 -6.006) 9.254 42.261 ( -0.578 -4.110 12.893) 13.545 42.582 ( -1.474 -8.998 -19.460) 21.490 58.907 ( -16.944 3.804 40.275) 43.859 59.819 ( -21.714 1.130 -54.308) 58.499 ======================= Grid point 1294 (383/420) ======================= q-point: ( 0.11 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.736 ( 12.617 16.637 30.366) 36.851 6.903 ( 32.232 12.959 22.404) 41.337 7.444 ( 16.358 14.552 -20.281) 29.843 7.546 ( 38.355 11.188 -22.539) 45.872 10.554 ( -0.068 15.802 24.294) 28.981 10.957 ( -5.756 10.495 -17.944) 21.570 12.197 ( 3.022 1.589 20.498) 20.780 12.400 ( 12.622 0.886 -2.572) 12.912 12.852 ( 17.225 -4.776 8.603) 19.837 13.178 ( 9.494 3.408 -19.307) 21.783 15.358 ( -4.488 4.365 6.518) 9.038 15.467 ( -3.111 5.864 -4.512) 8.027 16.167 ( 7.322 -11.276 7.398) 15.346 16.319 ( 7.024 -11.672 -8.361) 15.983 19.430 ( -3.388 10.171 20.552) 23.180 19.807 ( -5.839 8.616 -16.733) 19.706 21.189 ( -14.010 -10.273 13.997) 22.310 21.502 ( -11.945 -4.141 -18.506) 22.412 37.311 ( 12.059 2.863 6.248) 13.880 37.434 ( 12.557 1.347 -6.445) 14.178 42.246 ( -1.008 -3.681 12.045) 12.635 42.542 ( -2.637 -8.144 -17.800) 19.751 58.438 ( -30.154 7.352 35.393) 47.074 59.226 ( -37.599 5.782 -46.183) 59.833 ======================= Grid point 1295 (384/420) ======================= q-point: ( 0.17 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.032 ( 18.093 12.802 27.801) 35.555 7.418 ( 20.391 7.621 -4.135) 22.158 7.933 ( 31.166 19.172 9.195) 37.729 8.316 ( 37.224 12.852 -23.027) 45.619 10.661 ( 11.219 2.893 15.135) 19.061 10.932 ( 3.433 0.645 -13.356) 13.805 12.247 ( 3.717 3.530 22.938) 23.504 12.533 ( 2.736 4.575 -6.094) 8.097 13.203 ( 17.423 -1.392 8.293) 19.346 13.470 ( 17.702 2.411 -16.418) 24.264 15.335 ( 2.555 5.073 6.875) 8.918 15.459 ( 2.783 8.016 -5.631) 10.184 16.262 ( 2.213 -12.659 8.232) 15.262 16.424 ( 3.296 -11.642 -8.637) 14.866 19.330 ( -6.993 4.606 17.545) 19.441 19.661 ( -9.034 6.053 -15.469) 18.909 20.902 ( -14.324 -10.882 17.483) 25.085 21.263 ( -11.954 -6.375 -19.603) 23.829 37.582 ( 15.331 4.380 6.756) 17.316 37.715 ( 15.749 2.691 -6.872) 17.392 42.224 ( -1.192 -3.085 10.784) 11.280 42.483 ( -3.296 -6.922 -15.368) 17.174 57.766 ( -37.471 12.266 29.255) 49.095 58.404 ( -45.142 11.612 -36.527) 59.219 ======================= Grid point 1296 (385/420) ======================= q-point: ( 0.22 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.440 ( 23.356 8.188 24.237) 34.640 7.806 ( 20.514 4.045 -10.039) 23.195 8.488 ( 23.696 21.778 18.768) 37.256 8.927 ( 24.428 16.623 -23.315) 37.639 10.940 ( 13.950 -9.815 5.887) 18.044 11.077 ( 10.672 -10.640 -7.733) 16.938 12.398 ( 12.683 3.956 18.335) 22.643 12.603 ( 6.387 5.019 -2.541) 8.511 13.491 ( 11.711 5.120 10.660) 16.643 13.790 ( 14.327 4.264 -17.629) 23.113 15.449 ( 7.991 1.842 7.389) 11.038 15.583 ( 9.387 5.995 -6.037) 12.669 16.264 ( -0.981 -12.408 8.945) 15.328 16.443 ( -0.988 -11.459 -9.506) 14.921 19.165 ( -9.232 -1.802 15.041) 17.740 19.462 ( -10.917 0.113 -14.841) 18.424 20.659 ( -10.257 -7.840 20.137) 23.921 21.047 ( -10.071 -6.246 -19.725) 23.012 37.896 ( 16.373 6.167 7.142) 18.898 38.035 ( 16.523 4.462 -7.033) 18.504 42.201 ( -1.106 -2.462 9.276) 9.661 42.416 ( -3.419 -5.561 -12.521) 14.121 57.012 ( -38.695 17.612 23.329) 48.495 57.509 ( -45.262 17.322 -27.875) 55.908 ======================= Grid point 1297 (386/420) ======================= q-point: ( 0.28 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.930 ( 26.272 2.902 20.639) 33.535 8.229 ( 22.444 0.397 -7.307) 23.606 8.864 ( 15.831 20.807 18.005) 31.745 9.285 ( 13.229 18.276 -22.646) 31.967 11.109 ( 3.879 -13.268 7.233) 15.602 11.278 ( 7.008 -12.272 -9.471) 17.012 12.701 ( 14.290 -4.208 10.734) 18.362 12.818 ( 15.231 2.966 0.269) 15.520 13.697 ( 11.075 10.726 14.466) 21.142 14.042 ( 12.324 6.142 -18.417) 22.995 15.561 ( 1.278 -7.258 9.790) 12.254 15.748 ( 4.163 -2.814 -8.939) 10.255 16.302 ( 7.169 -8.117 7.004) 12.897 16.444 ( 3.903 -8.601 -7.639) 12.148 19.002 ( -6.681 -5.868 12.807) 15.591 19.257 ( -9.420 -6.293 -12.996) 17.240 20.495 ( -6.909 -2.544 19.507) 20.850 20.863 ( -9.086 -4.222 -18.063) 20.656 38.210 ( 15.420 8.018 7.280) 18.843 38.348 ( 15.277 6.479 -6.848) 17.952 42.182 ( -0.802 -1.937 7.664) 7.946 42.352 ( -3.114 -4.274 -9.581) 10.943 56.285 ( -34.945 22.664 18.187) 45.448 56.666 ( -40.298 22.359 -20.995) 50.642 ======================= Grid point 1298 (387/420) ======================= q-point: ( 0.33 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.441 ( 25.003 -2.570 17.645) 30.709 8.666 ( 21.701 -2.873 -2.563) 22.040 9.148 ( 14.138 16.577 12.457) 25.097 9.485 ( 8.131 16.249 -19.374) 26.561 11.130 ( -0.975 -8.434 9.514) 12.751 11.328 ( -1.101 -6.037 -10.304) 11.993 12.863 ( 2.581 -2.829 11.094) 11.737 13.076 ( 8.019 -1.294 -9.384) 12.411 13.960 ( 14.255 4.027 17.040) 22.579 14.277 ( 10.311 -3.117 -13.981) 17.649 15.525 ( -1.704 -12.583 8.420) 15.236 15.707 ( -5.447 -11.515 -9.999) 16.194 16.539 ( 14.874 -5.055 5.265) 16.568 16.649 ( 15.534 -5.233 -5.483) 17.285 18.925 ( -0.886 -6.637 9.821) 11.886 19.114 ( -4.823 -9.018 -9.215) 13.766 20.369 ( -6.443 2.257 16.529) 17.884 20.680 ( -9.806 -1.273 -15.183) 18.120 38.489 ( 12.873 9.730 7.180) 17.661 38.622 ( 12.540 8.498 -6.405) 16.446 42.170 ( -0.377 -1.591 6.036) 6.253 42.296 ( -2.556 -3.208 -6.779) 7.923 55.667 ( -27.811 26.953 13.720) 41.087 55.952 ( -32.350 26.563 -15.533) 44.647 ======================= Grid point 1299 (388/420) ======================= q-point: ( 0.39 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.856 ( 16.282 -6.128 15.943) 23.597 9.058 ( 17.554 -6.662 -2.248) 18.910 9.438 ( 15.430 11.334 7.524) 20.570 9.642 ( 9.010 12.123 -12.028) 19.308 11.089 ( -2.948 -1.419 8.334) 8.953 11.261 ( -5.241 0.407 -9.017) 10.437 12.838 ( -3.906 4.273 12.827) 14.073 13.132 ( -0.956 4.002 -16.495) 17.001 14.124 ( 0.613 -17.465 15.183) 23.151 14.379 ( -0.161 -24.422 -9.666) 26.265 15.594 ( 8.552 -7.673 2.826) 11.832 15.668 ( 3.254 -8.520 -4.891) 10.349 16.818 ( 12.661 -6.103 6.863) 15.641 16.968 ( 15.413 -7.508 -7.971) 18.906 18.961 ( 3.990 -5.959 6.959) 9.993 19.078 ( 1.284 -7.800 -4.681) 9.187 20.236 ( -7.062 6.018 12.478) 15.550 20.475 ( -11.132 2.166 -11.690) 16.287 38.706 ( 9.179 11.109 6.947) 15.997 38.833 ( 8.815 10.241 -5.875) 14.734 42.167 ( 0.057 -1.446 4.430) 4.661 42.252 ( -1.914 -2.419 -4.262) 5.261 55.210 ( -18.771 30.202 9.689) 36.856 55.412 ( -22.746 29.799 -10.964) 39.058 ======================= Grid point 1300 (389/420) ======================= q-point: ( 0.44 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.080 ( 7.302 -7.234 13.039) 16.603 9.291 ( 5.936 -8.415 -7.460) 12.717 9.740 ( 14.633 6.727 8.707) 18.308 9.846 ( 10.015 5.668 -2.126) 11.703 11.026 ( -2.993 4.602 4.237) 6.935 11.139 ( -6.622 5.446 -7.146) 11.161 12.751 ( -4.077 9.963 13.921) 17.597 13.088 ( -2.493 10.869 -20.039) 22.933 14.048 ( -5.459 -34.786 15.087) 38.307 14.317 ( -4.389 -39.485 -11.244) 41.289 15.768 ( 7.180 -4.437 1.518) 8.575 15.804 ( 8.086 -5.614 -1.873) 10.020 17.012 ( 6.855 -7.743 9.033) 13.731 17.211 ( 8.865 -10.704 -11.097) 17.785 19.047 ( 3.958 -6.554 7.748) 10.893 19.158 ( 5.830 -4.778 -3.217) 8.195 20.108 ( -5.242 8.547 7.521) 12.534 20.260 ( -10.081 6.114 -7.634) 14.046 38.843 ( 4.762 11.999 6.723) 14.555 38.964 ( 4.528 11.433 -5.451) 13.451 42.172 ( 0.351 -1.481 2.913) 3.287 42.221 ( -1.225 -1.882 -2.171) 3.123 54.938 ( -9.060 32.233 6.204) 34.052 55.070 ( -12.048 31.863 -7.212) 34.820 ======================= Grid point 1301 (390/420) ======================= q-point: (-0.50 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.152 ( 0.000 -8.134 10.780) 13.505 9.338 ( 0.000 -7.475 -7.405) 10.522 9.929 ( 0.001 2.993 5.931) 6.644 9.935 ( -0.001 3.154 5.364) 6.222 10.997 ( 0.000 7.097 0.368) 7.106 11.054 ( 0.000 7.958 -5.543) 9.698 12.707 ( 0.000 12.070 14.355) 18.755 13.060 ( 0.000 13.995 -21.330) 25.512 13.986 ( 0.000 -40.736 15.512) 43.590 14.266 ( 0.000 -43.839 -12.202) 45.506 15.843 ( 0.000 -4.527 2.412) 5.129 15.892 ( 0.000 -5.105 -2.376) 5.631 17.080 ( 0.000 -8.415 9.994) 13.065 17.300 ( 0.000 -12.061 -12.367) 17.275 19.091 ( 0.000 -6.880 9.765) 11.946 19.231 ( 0.000 -4.134 -3.956) 5.721 20.059 ( 0.000 8.534 3.555) 9.245 20.139 ( 0.000 9.456 -4.315) 10.394 38.890 ( 0.000 12.306 6.632) 13.979 39.008 ( 0.000 11.858 -5.290) 12.984 42.177 ( 0.000 -1.590 2.045) 2.590 42.208 ( 0.000 -1.619 -1.106) 1.961 54.851 ( 0.000 32.931 4.497) 33.236 54.949 ( 0.000 32.569 -5.424) 33.018 ======================= Grid point 1311 (391/420) ======================= q-point: ( 0.00 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 670 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.396 ( 0.000 17.987 23.184) 29.343 6.804 ( 0.000 9.006 -18.758) 20.808 7.043 ( 0.000 27.181 27.590) 38.730 7.529 ( 0.000 17.963 -21.846) 28.283 11.022 ( 0.000 1.431 24.225) 24.267 11.484 ( 0.000 -4.383 -21.520) 21.962 11.696 ( 0.000 -7.758 3.688) 8.591 11.775 ( 0.000 -8.221 -4.272) 9.265 12.784 ( 0.000 28.668 37.325) 47.064 13.432 ( 0.000 25.242 -25.419) 35.823 15.595 ( 0.000 1.331 4.033) 4.247 15.613 ( 0.000 -13.989 12.149) 18.528 15.673 ( 0.000 -0.075 -4.009) 4.010 15.831 ( 0.000 -14.976 -10.783) 18.454 19.659 ( 0.000 2.533 17.418) 17.601 19.961 ( 0.000 -3.570 -12.335) 12.841 21.402 ( 0.000 -1.429 21.967) 22.014 21.868 ( 0.000 7.612 -25.197) 26.321 37.087 ( 0.000 1.397 4.422) 4.637 37.173 ( 0.000 0.092 -4.486) 4.487 42.185 ( 0.000 -3.610 6.475) 7.413 42.411 ( 0.000 -9.014 -16.110) 18.460 59.153 ( 0.000 5.212 31.653) 32.080 59.939 ( 0.000 -8.539 -49.764) 50.491 ======================= Grid point 1312 (392/420) ======================= q-point: ( 0.06 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.629 ( 22.533 16.737 21.916) 35.611 6.946 ( 9.764 15.424 0.238) 18.257 7.180 ( 17.899 18.873 8.475) 27.357 7.573 ( 4.899 17.421 -20.613) 27.430 10.889 ( -10.176 2.190 20.891) 23.341 11.277 ( -12.755 -1.215 -18.159) 22.224 11.912 ( 14.649 -11.164 5.415) 19.197 11.996 ( 17.063 -8.578 -3.256) 19.373 12.824 ( 4.677 27.480 32.587) 42.882 13.419 ( -0.709 24.468 -23.865) 34.187 15.464 ( -7.085 -5.790 7.307) 11.710 15.551 ( -3.955 -3.127 -1.177) 5.177 15.827 ( 9.106 -5.919 2.953) 11.255 15.936 ( 8.403 -11.343 -7.912) 16.183 19.642 ( -1.908 2.786 17.320) 17.646 19.941 ( -2.014 -2.967 -12.264) 12.778 21.298 ( -10.338 -2.651 21.663) 24.149 21.757 ( -10.842 6.030 -24.890) 27.811 37.161 ( 7.423 1.733 4.565) 8.885 37.249 ( 7.581 0.361 -4.497) 8.821 42.183 ( -0.272 -3.471 6.358) 7.249 42.402 ( -0.864 -8.723 -15.643) 17.931 59.007 ( -14.591 6.214 30.350) 34.244 59.759 ( -18.077 -6.740 -47.365) 51.144 ======================= Grid point 1313 (393/420) ======================= q-point: ( 0.11 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.113 ( 10.061 19.713 19.042) 29.197 7.174 ( 27.471 14.461 13.838) 33.990 7.742 ( 29.209 10.930 -9.279) 32.538 7.780 ( 25.508 14.564 -13.765) 32.438 10.717 ( -6.252 2.721 17.350) 18.642 11.065 ( -8.586 1.832 -18.214) 20.219 12.137 ( 7.633 -10.036 16.537) 20.796 12.336 ( 15.446 -9.433 -5.851) 19.021 12.993 ( 12.774 21.510 22.137) 33.405 13.448 ( 5.067 21.014 -19.754) 29.283 15.361 ( -3.170 -4.622 8.559) 10.231 15.496 ( -1.275 -3.308 -4.656) 5.852 15.986 ( 6.801 -5.772 4.542) 10.010 16.104 ( 7.955 -8.910 -7.681) 14.201 19.572 ( -5.684 3.219 17.220) 18.417 19.876 ( -5.010 -1.259 -12.897) 13.893 21.025 ( -16.432 -5.540 21.600) 27.699 21.477 ( -16.567 1.628 -24.239) 29.405 37.367 ( 13.352 2.665 4.970) 14.494 37.460 ( 13.630 1.119 -4.523) 14.404 42.175 ( -0.474 -3.091 6.033) 6.795 42.378 ( -1.548 -7.912 -14.328) 16.441 58.602 ( -26.084 8.946 26.933) 38.546 59.262 ( -31.721 -2.015 -41.168) 52.010 ======================= Grid point 1314 (394/420) ======================= q-point: ( 0.17 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.335 ( 13.461 16.909 19.993) 29.443 7.597 ( 16.449 10.239 -4.115) 19.807 8.295 ( 33.503 15.290 8.280) 37.746 8.535 ( 39.425 8.395 -14.043) 42.685 10.669 ( 1.627 0.259 12.766) 12.872 10.951 ( -2.736 2.774 -16.339) 16.797 12.244 ( 4.682 -6.757 21.617) 23.127 12.542 ( 6.053 -6.065 -9.504) 12.796 13.301 ( 17.548 13.619 16.395) 27.608 13.635 ( 13.034 13.228 -15.112) 23.942 15.349 ( 1.991 -3.982 9.644) 10.622 15.513 ( 3.169 -3.036 -6.339) 7.709 16.080 ( 2.682 -4.459 5.842) 7.823 16.222 ( 3.685 -7.819 -8.779) 12.320 19.405 ( -11.441 2.542 17.063) 20.701 19.727 ( -10.787 0.385 -15.307) 18.730 20.712 ( -14.038 -7.726 22.673) 27.764 21.160 ( -14.749 -3.534 -23.123) 27.653 37.668 ( 16.968 4.004 5.519) 18.287 37.766 ( 17.235 2.248 -4.507) 17.956 42.165 ( -0.559 -2.566 5.558) 6.147 42.344 ( -1.945 -6.749 -12.389) 14.241 58.020 ( -32.577 12.751 22.522) 41.607 58.562 ( -38.684 4.153 -33.367) 51.255 ======================= Grid point 1315 (395/420) ======================= q-point: ( 0.22 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.640 ( 17.558 11.428 18.459) 27.922 7.906 ( 16.236 5.875 -7.647) 18.884 8.898 ( 25.637 17.052 15.586) 34.510 9.220 ( 28.949 11.517 -16.177) 35.105 10.767 ( 7.141 -5.282 8.139) 12.047 10.972 ( 5.282 1.671 -12.915) 14.052 12.359 ( 7.451 -8.629 19.404) 22.506 12.639 ( 5.492 -3.642 -8.416) 10.689 13.630 ( 15.317 9.822 13.692) 22.772 13.903 ( 13.374 6.964 -12.204) 19.398 15.412 ( 2.853 -5.614 11.324) 12.957 15.613 ( 6.100 -3.503 -8.593) 11.105 16.104 ( 0.928 -2.820 5.982) 6.679 16.249 ( 0.013 -7.131 -8.792) 11.320 19.148 ( -13.644 -0.016 15.485) 20.638 19.456 ( -15.845 -0.700 -15.705) 22.320 20.515 ( -6.180 -6.426 21.330) 23.118 20.923 ( -9.551 -5.779 -20.418) 23.271 38.015 ( 18.136 5.525 6.031) 19.895 38.117 ( 18.269 3.611 -4.364) 19.127 42.154 ( -0.516 -2.019 4.995) 5.412 42.304 ( -2.039 -5.446 -10.106) 11.659 57.363 ( -33.767 16.914 18.135) 41.894 57.790 ( -39.261 10.423 -25.876) 48.162 ======================= Grid point 1316 (396/420) ======================= q-point: ( 0.28 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.011 ( 19.998 5.075 16.509) 26.424 8.241 ( 17.907 0.903 -6.318) 19.010 9.281 ( 14.494 18.949 17.099) 29.352 9.640 ( 14.428 15.727 -18.671) 28.357 10.902 ( 6.385 -6.038 10.056) 13.355 11.130 ( 8.795 -0.807 -13.014) 15.728 12.525 ( 8.819 -13.213 16.770) 23.100 12.784 ( 8.853 -7.169 -8.229) 14.053 13.893 ( 11.624 8.818 12.676) 19.327 14.137 ( 9.929 3.475 -10.646) 14.967 15.389 ( -5.625 -9.217 13.458) 17.254 15.651 ( -4.725 -6.442 -13.077) 15.325 16.192 ( 9.519 -3.222 5.252) 11.339 16.308 ( 7.955 -4.851 -6.305) 11.250 18.922 ( -8.408 -2.183 11.923) 14.752 19.166 ( -12.505 -2.686 -12.699) 18.023 20.440 ( -2.389 -3.088 17.302) 17.737 20.771 ( -6.564 -4.590 -16.402) 18.253 38.363 ( 17.113 7.038 6.386) 19.575 38.466 ( 17.090 5.061 -4.073) 18.283 42.145 ( -0.361 -1.563 4.376) 4.661 42.265 ( -1.893 -4.205 -7.737) 9.007 56.728 ( -30.534 20.866 14.236) 39.628 57.057 ( -35.158 16.043 -19.550) 43.309 ======================= Grid point 1317 (397/420) ======================= q-point: ( 0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.402 ( 19.400 -1.034 14.749) 24.392 8.594 ( 17.655 -3.889 -4.204) 18.561 9.512 ( 10.146 18.208 14.580) 25.437 9.825 ( 5.749 16.496 -16.922) 24.321 11.015 ( 5.083 -2.213 12.032) 13.248 11.259 ( 4.015 0.037 -12.845) 13.458 12.676 ( 6.202 -14.940 15.748) 22.576 12.941 ( 6.300 -12.599 -9.868) 17.199 14.048 ( 1.954 4.316 9.529) 10.642 14.224 ( -3.595 -1.514 -7.476) 8.432 15.292 ( -0.306 -10.525 10.411) 14.807 15.501 ( -6.249 -8.617 -10.806) 15.168 16.441 ( 14.027 -4.795 3.827) 15.310 16.539 ( 13.996 -5.559 -5.719) 16.109 18.838 ( -0.265 -2.265 7.650) 7.983 18.997 ( -4.434 -2.667 -8.441) 9.901 20.395 ( -2.592 0.292 13.343) 13.595 20.647 ( -6.473 -1.784 -12.240) 13.960 38.673 ( 14.325 8.390 6.567) 17.853 38.774 ( 14.199 6.442 -3.698) 16.024 42.141 ( -0.135 -1.270 3.694) 3.909 42.231 ( -1.602 -3.167 -5.477) 6.527 56.188 ( -24.265 24.224 10.788) 35.944 56.434 ( -28.228 20.707 -14.374) 37.844 ======================= Grid point 1318 (398/420) ======================= q-point: ( 0.39 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.741 ( 14.454 -4.815 13.407) 20.295 8.911 ( 14.165 -7.460 -3.405) 16.368 9.706 ( 10.065 14.397 10.633) 20.534 9.910 ( 3.844 13.881 -10.144) 17.617 11.094 ( 2.884 2.231 9.704) 10.367 11.290 ( -0.604 2.657 -10.379) 10.731 12.773 ( 4.280 -12.661 14.945) 20.049 13.030 ( 3.399 -14.866 -9.681) 18.063 13.913 ( -14.613 -4.427 2.687) 15.503 13.985 ( -18.128 -8.906 -4.394) 20.670 15.419 ( 10.841 -10.140 4.684) 15.566 15.504 ( 5.896 -8.097 -4.290) 10.896 16.693 ( 11.096 -6.299 3.573) 13.251 16.803 ( 12.061 -8.637 -7.214) 16.495 18.889 ( 4.514 -1.187 5.220) 7.002 18.993 ( 3.722 -1.124 -5.175) 6.473 20.331 ( -3.904 3.381 9.853) 11.125 20.510 ( -7.453 1.484 -8.358) 11.296 38.915 ( 10.241 9.459 6.624) 15.434 39.013 ( 10.094 7.593 -3.333) 13.064 42.140 ( 0.106 -1.156 2.923) 3.145 42.203 ( -1.243 -2.394 -3.463) 4.389 55.790 ( -16.306 26.741 7.593) 32.228 55.962 ( -19.806 24.259 -10.043) 32.888 ======================= Grid point 1319 (399/420) ======================= q-point: ( 0.44 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.951 ( 7.046 -5.175 12.064) 14.899 9.122 ( 7.048 -8.082 -4.757) 11.731 9.898 ( 8.803 8.555 8.184) 14.753 9.989 ( 3.821 8.203 -1.306) 9.143 11.129 ( 0.874 5.682 4.929) 7.572 11.248 ( -3.171 5.407 -7.355) 9.664 12.866 ( 5.352 -6.158 14.956) 17.036 13.104 ( 5.044 -15.401 -6.289) 17.383 13.564 ( -18.650 -13.901 -1.203) 23.292 13.638 ( -15.118 -11.970 -7.862) 20.824 15.608 ( 6.973 -11.073 3.072) 13.441 15.655 ( 7.575 -9.269 -1.834) 12.110 16.861 ( 5.908 -7.331 3.961) 10.214 16.989 ( 6.656 -11.126 -8.855) 15.700 18.981 ( 4.248 0.031 6.864) 8.072 19.108 ( 6.474 -0.561 -5.870) 8.756 20.254 ( -3.481 5.913 6.786) 9.650 20.368 ( -6.435 4.561 -4.815) 9.241 39.068 ( 5.322 10.145 6.623) 13.233 39.164 ( 5.228 8.362 -3.073) 10.329 42.144 ( 0.257 -1.188 2.092) 2.419 42.183 ( -0.808 -1.882 -1.839) 2.753 55.554 ( -7.801 28.269 4.702) 29.700 55.664 ( -10.501 26.531 -6.507) 29.267 ======================= Grid point 1320 (400/420) ======================= q-point: (-0.50 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 9.020 ( 0.000 -4.866 11.197) 12.209 9.189 ( 0.000 -7.119 -5.496) 8.993 10.008 ( 0.000 4.648 5.921) 7.527 10.021 ( -0.000 5.116 4.781) 7.003 11.139 ( 0.000 7.153 1.355) 7.280 11.204 ( 0.000 6.904 -5.277) 8.689 12.941 ( 0.000 2.539 16.780) 16.971 13.243 ( -0.000 -23.528 10.239) 25.660 13.275 ( 0.000 -10.808 -15.177) 18.632 13.468 ( -0.000 -16.788 -13.546) 21.572 15.678 ( 0.000 -11.422 3.597) 11.975 15.736 ( 0.000 -10.356 -2.317) 10.612 16.919 ( 0.000 -7.660 4.199) 8.735 17.055 ( 0.000 -11.996 -9.475) 15.287 19.028 ( 0.000 0.425 8.401) 8.412 19.182 ( 0.000 -0.838 -7.141) 7.190 20.217 ( 0.000 7.006 5.189) 8.719 20.296 ( 0.000 6.096 -2.889) 6.746 39.120 ( 0.000 10.382 6.616) 12.311 39.216 ( 0.000 8.632 -2.979) 9.132 42.148 ( 0.000 -1.254 1.596) 2.029 42.174 ( 0.000 -1.669 -1.072) 1.983 55.480 ( 0.000 28.779 3.206) 28.957 55.559 ( 0.000 27.317 -4.802) 27.736 ======================= Grid point 1330 (401/420) ======================= q-point: ( 0.00 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.710 ( 0.000 12.843 13.751) 18.816 6.931 ( 0.000 3.210 -8.902) 9.463 7.561 ( 0.000 22.246 19.135) 29.343 7.871 ( 0.000 14.234 -11.862) 18.528 10.909 ( 0.000 -8.481 18.441) 20.297 11.282 ( 0.000 -11.685 -17.923) 21.396 11.572 ( 0.000 -4.389 2.315) 4.962 11.634 ( 0.000 -5.492 -3.952) 6.766 13.457 ( 0.000 33.542 31.903) 46.291 13.946 ( 0.000 21.755 -15.261) 26.574 15.305 ( 0.000 -15.366 10.212) 18.450 15.533 ( 0.000 -14.002 -13.012) 19.115 15.617 ( 0.000 0.870 2.802) 2.934 15.670 ( 0.000 -0.162 -2.666) 2.671 19.611 ( 0.000 -5.045 11.661) 12.706 19.854 ( 0.000 -5.437 -12.474) 13.608 21.428 ( 0.000 2.750 32.737) 32.852 22.023 ( 0.000 6.570 -27.897) 28.660 37.111 ( 0.000 0.941 3.210) 3.345 37.173 ( 0.000 -0.081 -3.219) 3.220 42.137 ( 0.000 -1.012 -0.021) 1.012 42.252 ( 0.000 -6.599 -11.582) 13.331 59.286 ( 0.000 8.293 12.981) 15.403 59.727 ( 0.000 -11.975 -32.539) 34.672 ======================= Grid point 1331 (402/420) ======================= q-point: ( 0.06 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.924 ( 20.768 12.205 13.317) 27.525 7.132 ( 18.994 4.215 -7.732) 20.936 7.602 ( 5.150 19.739 17.592) 26.937 7.894 ( 2.759 12.792 -11.318) 17.301 10.841 ( -5.301 -4.146 16.921) 18.210 11.188 ( -6.544 -5.937 -17.189) 19.327 11.698 ( 10.167 -8.415 5.251) 14.204 11.797 ( 13.813 -9.347 -5.169) 17.461 13.467 ( 1.344 31.980 28.779) 43.043 13.909 ( -3.173 20.351 -13.799) 24.792 15.246 ( -4.283 -13.377 9.743) 17.094 15.429 ( -5.005 -8.746 -7.279) 12.431 15.765 ( 8.592 -1.335 -1.404) 8.808 15.784 ( 10.384 -3.373 -3.437) 11.447 19.604 ( -0.828 -4.488 11.732) 12.588 19.846 ( -0.999 -5.062 -12.238) 13.281 21.300 ( -12.572 1.850 32.069) 34.495 21.888 ( -13.344 5.744 -27.753) 31.325 37.190 ( 7.974 1.140 3.370) 8.731 37.253 ( 8.035 0.092 -3.121) 8.620 42.136 ( -0.075 -0.964 0.040) 0.968 42.249 ( -0.355 -6.390 -11.247) 12.941 59.155 ( -13.189 8.651 12.503) 20.128 59.577 ( -14.973 -10.691 -31.135) 36.164 ======================= Grid point 1332 (403/420) ======================= q-point: ( 0.11 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.421 ( 24.408 11.942 10.813) 29.245 7.493 ( 13.926 13.723 6.170) 20.502 7.899 ( 28.245 6.293 2.308) 29.029 8.030 ( 14.563 7.951 -8.136) 18.479 10.756 ( -2.731 2.563 15.290) 15.742 11.084 ( -3.657 0.465 -17.388) 17.774 11.891 ( 8.481 -11.588 12.190) 18.836 12.088 ( 14.437 -12.801 -8.451) 21.064 13.527 ( 5.152 27.164 21.674) 35.131 13.859 ( -0.814 16.546 -10.362) 19.540 15.184 ( -1.474 -11.205 10.518) 15.439 15.369 ( -1.060 -7.691 -6.811) 10.328 15.935 ( 8.085 -0.379 0.116) 8.095 15.984 ( 9.229 -3.337 -5.420) 11.211 19.565 ( -3.732 -2.596 12.232) 13.050 19.808 ( -3.239 -4.085 -12.090) 13.166 20.971 ( -19.682 -0.518 30.242) 36.087 21.537 ( -21.263 3.225 -27.235) 34.702 37.412 ( 14.340 1.705 3.785) 14.928 37.477 ( 14.420 0.542 -2.845) 14.708 42.134 ( -0.133 -0.836 0.220) 0.875 42.239 ( -0.637 -5.805 -10.303) 11.844 58.789 ( -23.640 9.639 11.261) 27.902 59.164 ( -26.564 -7.267 -27.441) 38.878 ======================= Grid point 1333 (404/420) ======================= q-point: ( 0.17 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.661 ( 9.223 14.168 13.096) 21.385 7.804 ( 12.115 9.614 -0.323) 15.469 8.483 ( 32.759 3.555 6.036) 33.499 8.637 ( 38.986 1.759 -8.763) 39.997 10.747 ( 1.914 8.104 14.118) 16.390 11.054 ( 0.827 6.060 -16.714) 17.798 12.016 ( 4.607 -12.889 17.893) 22.528 12.319 ( 8.786 -13.626 -12.938) 20.742 13.670 ( 9.122 19.675 15.776) 26.818 13.901 ( 5.022 10.707 -6.791) 13.637 15.199 ( 2.852 -9.272 11.479) 15.028 15.392 ( 3.581 -6.801 -6.909) 10.335 16.060 ( 4.387 0.912 0.587) 4.519 16.121 ( 4.362 -2.723 -6.077) 7.960 19.429 ( -10.832 0.132 13.747) 17.503 19.694 ( -9.234 -2.695 -13.414) 16.506 20.605 ( -15.569 -3.060 27.141) 31.438 21.123 ( -19.252 -0.594 -25.482) 31.942 37.734 ( 18.201 2.530 4.297) 18.872 37.800 ( 18.225 1.142 -2.425) 18.421 42.131 ( -0.164 -0.670 0.500) 0.852 42.225 ( -0.807 -4.958 -8.908) 10.227 58.260 ( -29.613 11.035 9.686) 33.053 58.574 ( -32.829 -2.688 -22.647) 39.973 ======================= Grid point 1334 (405/420) ======================= q-point: ( 0.22 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.865 ( 11.815 10.042 12.656) 20.015 8.020 ( 11.148 4.766 -2.484) 12.376 9.103 ( 28.269 4.066 11.307) 30.717 9.351 ( 31.936 1.672 -13.225) 34.606 10.825 ( 5.693 11.401 14.249) 19.116 11.120 ( 5.718 10.133 -15.802) 19.623 12.097 ( 4.393 -15.006 19.863) 25.279 12.448 ( 5.232 -13.578 -15.121) 20.985 13.862 ( 9.917 11.847 12.384) 19.801 14.032 ( 7.662 4.716 -4.290) 9.967 15.265 ( 2.428 -7.453 13.137) 15.298 15.498 ( 6.042 -6.029 -9.559) 12.815 16.107 ( 0.592 1.288 0.492) 1.501 16.163 ( 1.377 -1.982 -4.773) 5.349 19.157 ( -15.338 0.687 14.247) 20.945 19.437 ( -15.929 -0.987 -14.500) 21.563 20.411 ( -4.622 -3.764 21.680) 22.485 20.832 ( -10.308 -3.180 -21.083) 23.683 38.107 ( 19.424 3.468 4.740) 20.293 38.172 ( 19.344 1.793 -1.899) 19.520 42.128 ( -0.158 -0.515 0.836) 0.994 42.208 ( -0.867 -3.999 -7.260) 8.334 57.662 ( -30.761 12.587 8.162) 34.224 57.915 ( -33.691 2.079 -17.882) 38.199 ======================= Grid point 1335 (406/420) ======================= q-point: ( 0.28 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.120 ( 14.062 5.351 11.512) 18.945 8.255 ( 12.916 0.152 -1.935) 13.061 9.552 ( 17.775 7.967 12.901) 23.363 9.837 ( 17.559 3.306 -15.577) 23.704 10.955 ( 7.247 12.189 15.137) 20.742 11.247 ( 6.198 9.874 -14.944) 18.953 12.206 ( 6.758 -16.762 18.922) 26.166 12.544 ( 4.509 -15.377 -14.247) 21.442 14.040 ( 7.702 5.758 9.953) 13.840 14.179 ( 6.498 0.598 -3.441) 7.377 15.233 ( -5.978 -5.622 15.169) 17.246 15.531 ( -4.862 -4.654 -15.138) 16.567 16.149 ( 6.559 -1.464 4.355) 8.008 16.247 ( 7.729 -1.557 -5.218) 9.455 18.903 ( -9.157 -0.103 11.289) 14.536 19.143 ( -12.437 0.010 -13.252) 18.174 20.379 ( 0.137 -2.696 16.507) 16.727 20.695 ( -4.631 -2.758 -15.679) 16.580 38.479 ( 18.312 4.392 5.034) 19.493 38.542 ( 18.147 2.432 -1.327) 18.357 42.125 ( -0.112 -0.411 1.151) 1.228 42.191 ( -0.846 -3.077 -5.541) 6.394 57.083 ( -27.837 14.080 6.812) 31.930 57.283 ( -30.355 6.414 -13.732) 33.928 ======================= Grid point 1336 (407/420) ======================= q-point: ( 0.33 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.404 ( 14.685 1.178 10.376) 18.020 8.518 ( 13.680 -3.588 -1.027) 14.180 9.821 ( 10.345 11.992 11.846) 19.777 10.064 ( 6.749 5.936 -12.472) 15.373 11.090 ( 6.164 10.227 13.065) 17.700 11.335 ( 2.691 6.143 -12.341) 14.046 12.342 ( 6.397 -16.135 15.181) 23.060 12.609 ( 1.837 -18.481 -10.634) 21.401 14.112 ( -2.419 1.922 6.472) 7.172 14.215 ( -5.312 0.075 -3.173) 6.188 15.123 ( -1.439 -6.012 13.356) 14.718 15.379 ( -6.600 -3.667 -12.721) 14.793 16.354 ( 12.395 -3.599 2.948) 13.239 16.442 ( 11.090 -3.827 -5.614) 13.006 18.822 ( 0.595 0.130 7.089) 7.115 18.988 ( -3.268 0.883 -9.964) 10.523 20.385 ( 0.054 -0.959 12.770) 12.806 20.618 ( -3.764 -0.966 -11.023) 11.688 38.811 ( 15.326 5.207 5.185) 16.996 38.870 ( 15.135 3.011 -0.789) 15.451 42.123 ( -0.023 -0.380 1.348) 1.400 42.175 ( -0.774 -2.299 -3.890) 4.585 56.591 ( -22.110 15.360 5.494) 27.476 56.745 ( -24.395 10.011 -10.236) 28.286 ======================= Grid point 1337 (408/420) ======================= q-point: ( 0.39 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.678 ( 12.853 -1.274 9.439) 15.997 8.777 ( 12.374 -5.706 -0.441) 13.633 9.977 ( 5.967 12.035 9.872) 16.670 10.138 ( 1.447 7.289 -6.257) 9.714 11.189 ( 3.915 7.250 8.870) 12.107 11.359 ( -0.022 3.502 -9.107) 9.757 12.443 ( 3.964 -15.732 10.995) 19.599 12.622 ( 0.060 -21.913 -6.223) 22.779 13.897 ( -17.965 3.721 4.576) 18.908 13.990 ( -14.650 2.312 -4.970) 15.642 15.220 ( 9.029 -8.545 7.483) 14.509 15.358 ( 3.748 -5.953 -6.670) 9.694 16.581 ( 10.127 -4.399 0.635) 11.060 16.647 ( 9.378 -6.273 -5.805) 12.688 18.899 ( 6.310 1.456 4.162) 7.698 19.003 ( 4.151 1.342 -6.489) 7.819 20.372 ( -1.357 0.966 9.629) 9.772 20.535 ( -4.843 0.938 -7.005) 8.567 39.070 ( 10.961 5.842 5.242) 13.481 39.125 ( 10.803 3.481 -0.361) 11.356 42.124 ( 0.093 -0.417 1.334) 1.400 42.161 ( -0.661 -1.718 -2.413) 3.035 56.228 ( -14.849 16.313 3.987) 22.416 56.338 ( -17.076 12.728 -7.199) 22.481 ======================= Grid point 1338 (409/420) ======================= q-point: ( 0.44 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 1188 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.885 ( 7.764 -1.337 8.887) 11.877 8.982 ( 7.979 -5.797 -0.704) 9.888 10.064 ( 3.209 7.729 8.042) 11.606 10.140 ( -0.852 5.790 0.479) 5.872 11.246 ( 2.084 5.734 3.965) 7.276 11.341 ( -1.605 3.430 -6.251) 7.309 12.502 ( 2.157 -18.768 9.097) 20.968 12.635 ( 1.442 -24.892 -4.198) 25.285 13.544 ( -15.380 9.882 7.245) 19.665 13.720 ( -11.239 5.440 -10.477) 16.299 15.383 ( 6.321 -9.753 4.051) 12.308 15.457 ( 4.934 -9.396 -3.451) 11.160 16.735 ( 5.429 -4.708 -0.316) 7.193 16.794 ( 5.349 -7.752 -6.218) 11.286 19.024 ( 5.411 3.299 3.749) 7.363 19.113 ( 5.802 0.391 -5.302) 7.869 20.342 ( -1.361 2.895 6.521) 7.263 20.436 ( -4.769 2.270 -3.207) 6.179 39.234 ( 5.699 6.246 5.257) 9.956 39.287 ( 5.613 3.794 -0.092) 6.775 42.127 ( 0.178 -0.491 1.085) 1.204 42.150 ( -0.472 -1.348 -1.229) 1.884 56.014 ( -7.093 16.871 2.272) 18.442 56.081 ( -9.048 14.456 -4.579) 17.658 ======================= Grid point 1339 (410/420) ======================= q-point: (-0.50 0.42 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 660 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.964 ( 0.000 -0.740 8.758) 8.789 9.065 ( 0.000 -5.215 -1.202) 5.351 10.104 ( -0.000 4.557 6.243) 7.730 10.121 ( 0.000 4.271 4.837) 6.453 11.271 ( 0.000 5.689 0.618) 5.723 11.316 ( 0.000 3.925 -4.137) 5.703 12.525 ( 0.000 -21.374 8.929) 23.164 12.657 ( 0.000 -27.604 -4.410) 27.954 13.379 ( 0.000 15.080 9.185) 17.657 13.602 ( 0.000 7.128 -12.921) 14.756 15.446 ( 0.000 -9.830 3.363) 10.390 15.511 ( 0.000 -11.023 -3.025) 11.431 16.789 ( 0.000 -4.833 -0.480) 4.856 16.848 ( 0.000 -8.155 -6.416) 10.376 19.081 ( 0.000 3.958 4.284) 5.832 19.178 ( 0.000 -0.239 -5.581) 5.586 20.331 ( -0.000 4.357 4.318) 6.134 20.379 ( 0.000 2.245 -0.694) 2.350 39.290 ( 0.000 6.384 5.258) 8.271 39.342 ( 0.000 3.904 -0.000) 3.904 42.129 ( 0.000 -0.526 0.850) 0.999 42.145 ( 0.000 -1.221 -0.671) 1.393 55.947 ( 0.000 17.088 1.193) 17.129 55.990 ( 0.000 15.017 -3.200) 15.354 ======================= Grid point 1349 (411/420) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 390 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.867 ( 0.000 0.000 6.237) 6.237 6.938 ( 0.000 -0.000 -1.143) 1.143 7.810 ( 0.000 0.000 14.650) 14.650 8.021 ( 0.000 -0.000 -5.922) 5.922 10.808 ( 0.000 0.000 16.052) 16.052 11.145 ( 0.000 0.000 -16.962) 16.962 11.528 ( 0.000 0.000 1.357) 1.357 11.575 ( 0.000 0.000 -3.449) 3.449 13.887 ( 0.000 -0.000 25.447) 25.447 14.148 ( 0.000 0.000 -0.257) 0.257 15.125 ( 0.000 0.000 6.053) 6.053 15.357 ( 0.000 -0.000 -17.180) 17.180 15.626 ( 0.000 0.000 2.235) 2.235 15.668 ( 0.000 0.000 -2.057) 2.057 19.548 ( 0.000 0.000 10.480) 10.480 19.793 ( 0.000 0.000 -14.036) 14.036 21.462 ( 0.000 0.000 36.411) 36.411 22.093 ( 0.000 0.000 -28.152) 28.152 37.121 ( 0.000 -0.000 2.634) 2.634 37.172 ( 0.000 0.000 -2.623) 2.623 42.146 ( 0.000 0.000 -5.098) 5.098 42.165 ( 0.000 -0.000 -7.224) 7.224 59.458 ( 0.000 0.000 -6.914) 6.914 59.515 ( 0.000 -0.000 -13.099) 13.099 ======================= Grid point 1351 (412/420) ======================= q-point: ( 0.06 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.072 ( 20.073 0.000 6.648) 21.145 7.151 ( 20.576 -0.000 -1.414) 20.625 7.827 ( 2.326 0.000 13.615) 13.813 8.024 ( 0.630 -0.000 -5.483) 5.519 10.793 ( -0.853 0.000 15.173) 15.197 11.112 ( -2.411 0.000 -15.786) 15.969 11.617 ( 7.601 0.000 2.884) 8.130 11.690 ( 10.627 0.000 -4.463) 11.526 13.879 ( -0.528 -0.000 21.831) 21.838 14.093 ( -4.929 0.000 0.443) 4.949 15.082 ( -3.224 0.000 7.622) 8.276 15.307 ( -3.164 0.000 -13.083) 13.460 15.749 ( 10.032 0.000 -1.801) 10.192 15.763 ( 8.294 0.000 -1.828) 8.493 19.547 ( -0.181 0.000 10.495) 10.496 19.788 ( -0.605 0.000 -13.666) 13.679 21.326 ( -13.501 0.000 35.733) 38.198 21.950 ( -14.186 0.000 -28.132) 31.506 37.202 ( 8.180 -0.000 2.805) 8.648 37.254 ( 8.211 0.000 -2.488) 8.579 42.144 ( -0.134 0.000 -4.842) 4.844 42.165 ( -0.032 -0.000 -7.066) 7.066 59.325 ( -13.331 0.000 -6.402) 14.789 59.384 ( -13.163 -0.000 -12.740) 18.318 ======================= Grid point 1353 (413/420) ======================= q-point: ( 0.11 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.572 ( 27.123 0.000 7.046) 28.024 7.610 ( 18.880 0.000 4.075) 19.315 7.992 ( 20.591 0.000 4.406) 21.057 8.086 ( 8.262 -0.000 -3.464) 8.959 10.802 ( 2.217 0.000 13.458) 13.639 11.081 ( -0.311 0.000 -13.140) 13.144 11.770 ( 7.056 0.000 7.524) 10.314 11.932 ( 12.636 0.000 -8.223) 15.076 13.885 ( 1.636 -0.000 13.722) 13.820 13.996 ( -3.940 0.000 2.465) 4.648 15.042 ( -0.223 0.000 10.576) 10.578 15.272 ( -0.061 0.000 -10.235) 10.235 15.939 ( 8.672 0.000 -1.359) 8.777 15.951 ( 9.555 0.000 -4.241) 10.454 19.529 ( -2.178 0.000 10.663) 10.883 19.760 ( -2.632 0.000 -12.752) 13.021 20.972 ( -21.210 0.000 33.565) 39.705 21.573 ( -22.988 0.000 -27.868) 36.125 37.430 ( 14.723 -0.000 3.219) 15.071 37.482 ( 14.698 0.000 -2.090) 14.846 42.141 ( -0.231 0.000 -4.128) 4.134 42.164 ( -0.070 -0.000 -6.606) 6.606 58.955 ( -23.842 0.000 -5.009) 24.363 59.019 ( -23.526 -0.000 -11.795) 26.317 ======================= Grid point 1355 (414/420) ======================= q-point: ( 0.17 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.819 ( 7.496 0.000 10.270) 12.715 7.917 ( 8.922 0.000 1.713) 9.085 8.502 ( 31.912 0.000 5.395) 32.364 8.637 ( 38.519 0.000 -7.421) 39.227 10.889 ( 6.716 0.000 11.410) 13.240 11.108 ( 3.126 0.000 -8.321) 8.888 11.872 ( 3.389 0.000 11.724) 12.204 12.141 ( 8.112 0.000 -13.634) 15.865 13.948 ( 4.596 -0.000 6.886) 8.279 13.967 ( 1.108 0.000 4.989) 5.111 15.083 ( 4.325 0.000 12.378) 13.112 15.313 ( 4.332 0.000 -8.888) 9.887 16.077 ( 5.207 -0.000 -1.323) 5.373 16.093 ( 4.437 0.000 -4.500) 6.320 19.427 ( -9.332 0.000 11.844) 15.079 19.660 ( -8.311 0.000 -12.317) 14.859 20.578 ( -16.725 0.000 28.875) 33.369 21.120 ( -21.343 0.000 -26.223) 33.811 37.761 ( 18.696 -0.000 3.660) 19.050 37.811 ( 18.531 0.000 -1.463) 18.589 42.136 ( -0.273 0.000 -3.104) 3.116 42.162 ( -0.122 -0.000 -5.877) 5.878 58.423 ( -29.754 0.000 -3.102) 29.915 58.493 ( -29.370 -0.000 -10.552) 31.208 ======================= Grid point 1357 (415/420) ======================= q-point: ( 0.22 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.981 ( 9.431 0.000 9.123) 13.122 8.068 ( 8.006 -0.000 1.177) 8.092 9.130 ( 29.737 0.000 9.268) 31.148 9.348 ( 32.059 0.000 -12.122) 34.274 11.052 ( 9.320 0.000 9.608) 13.386 11.202 ( 6.202 -0.000 -2.375) 6.641 11.924 ( 2.839 0.000 12.895) 13.204 12.254 ( 4.164 0.000 -17.339) 17.832 14.025 ( 4.192 -0.000 6.545) 7.772 14.053 ( 5.934 0.000 3.635) 6.959 15.180 ( 4.045 0.000 13.628) 14.216 15.430 ( 6.607 0.000 -10.561) 12.457 16.120 ( -1.011 0.000 -1.305) 1.650 16.149 ( 2.842 0.000 -2.858) 4.031 19.166 ( -15.648 0.000 13.354) 20.572 19.426 ( -14.837 0.000 -13.640) 20.154 20.373 ( -4.582 0.000 21.882) 22.356 20.800 ( -10.899 0.000 -21.459) 24.068 38.143 ( 19.958 -0.000 3.956) 20.346 38.189 ( 19.636 0.000 -0.676) 19.647 42.130 ( -0.260 0.000 -1.964) 1.982 42.159 ( -0.190 -0.000 -4.936) 4.940 57.824 ( -30.744 0.000 -1.144) 30.765 57.901 ( -30.462 0.000 -9.238) 31.832 ======================= Grid point 1359 (416/420) ======================= q-point: ( 0.28 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.189 ( 11.791 0.000 7.392) 13.916 8.247 ( 10.240 -0.000 2.170) 10.467 9.626 ( 20.965 0.000 9.382) 22.969 9.845 ( 18.567 0.000 -11.798) 21.998 11.216 ( 6.510 0.000 8.243) 10.504 11.320 ( 4.950 -0.000 -0.152) 4.953 12.015 ( 6.705 -0.000 11.921) 13.677 12.324 ( 3.112 0.000 -16.151) 16.448 14.108 ( 3.694 -0.000 7.156) 8.053 14.173 ( 5.757 0.000 0.876) 5.824 15.177 ( -4.928 0.000 15.513) 16.277 15.483 ( -3.436 0.000 -15.618) 15.992 16.133 ( 4.963 0.000 4.567) 6.745 16.233 ( 6.671 0.000 -5.283) 8.509 18.904 ( -9.349 0.000 11.147) 14.548 19.147 ( -11.879 0.000 -13.860) 18.254 20.349 ( 0.884 0.000 16.733) 16.756 20.667 ( -3.880 0.000 -15.684) 16.157 38.526 ( 18.832 -0.000 4.042) 19.261 38.564 ( 18.393 0.000 0.181) 18.393 42.126 ( -0.201 0.000 -0.908) 0.930 42.154 ( -0.268 -0.000 -3.857) 3.866 57.247 ( -27.655 0.000 0.429) 27.659 57.327 ( -27.695 0.000 -7.895) 28.798 ======================= Grid point 1361 (417/420) ======================= q-point: ( 0.33 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.434 ( 13.030 0.000 5.890) 14.299 8.464 ( 11.806 -0.000 3.162) 12.222 9.957 ( 13.085 0.000 6.903) 14.795 10.094 ( 7.652 0.000 -5.269) 9.291 11.295 ( 1.844 0.000 6.490) 6.747 11.380 ( 1.392 -0.000 -2.704) 3.041 12.163 ( 7.444 -0.000 8.947) 11.639 12.364 ( 0.549 0.000 -9.400) 9.416 14.129 ( -3.001 -0.000 5.888) 6.608 14.215 ( -4.004 0.000 -2.105) 4.524 15.063 ( -2.950 0.000 14.958) 15.246 15.345 ( -7.011 0.000 -13.795) 15.475 16.315 ( 11.684 0.000 2.805) 12.016 16.401 ( 9.623 -0.000 -5.678) 11.173 18.826 ( 1.079 0.000 7.118) 7.199 19.001 ( -2.807 0.000 -11.044) 11.396 20.373 ( 1.046 0.000 13.206) 13.247 20.609 ( -2.727 0.000 -10.955) 11.289 38.868 ( 15.799 -0.000 3.936) 16.282 38.896 ( 15.306 0.000 1.018) 15.340 42.123 ( -0.104 0.000 -0.099) 0.143 42.148 ( -0.336 -0.000 -2.725) 2.745 56.759 ( -21.848 0.000 1.291) 21.886 56.834 ( -22.394 0.000 -6.428) 23.298 ======================= Grid point 1363 (418/420) ======================= q-point: ( 0.39 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 693 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.687 ( 12.416 0.000 4.814) 13.316 8.697 ( 11.624 -0.000 3.888) 12.257 10.141 ( 5.623 -0.000 4.129) 6.976 10.174 ( 1.216 0.000 2.300) 2.601 11.309 ( 0.245 0.000 4.523) 4.530 11.388 ( -0.351 -0.000 -5.070) 5.082 12.280 ( 4.307 -0.000 4.401) 6.158 12.348 ( -1.660 0.000 -1.509) 2.244 13.971 ( -12.012 0.000 1.339) 12.086 13.996 ( -15.753 -0.000 -0.195) 15.754 15.127 ( 7.706 0.000 8.599) 11.546 15.294 ( 1.471 0.000 -8.346) 8.475 16.535 ( 10.099 0.000 -0.713) 10.124 16.580 ( 8.121 0.000 -4.933) 9.502 18.918 ( 7.375 0.000 3.626) 8.218 19.020 ( 3.857 0.000 -6.966) 7.963 20.380 ( -0.300 0.000 10.035) 10.040 20.545 ( -3.959 0.000 -6.856) 7.917 39.135 ( 11.365 -0.000 3.689) 11.948 39.154 ( 10.868 0.000 1.768) 11.011 42.122 ( 0.021 0.000 0.350) 0.350 42.141 ( -0.371 -0.000 -1.633) 1.675 56.401 ( -14.621 0.000 1.280) 14.677 56.460 ( -15.727 0.000 -4.750) 16.428 ======================= Grid point 1365 (419/420) ======================= q-point: ( 0.44 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 694 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.898 ( 8.159 0.003 4.228) 9.189 8.898 ( 8.408 -0.003 4.186) 9.392 10.168 ( -1.032 -0.000 6.302) 6.386 10.185 ( -0.458 0.000 3.857) 3.884 11.320 ( 0.963 0.000 1.651) 1.912 11.372 ( -1.196 -0.000 -4.662) 4.813 12.324 ( -0.368 -0.000 2.618) 2.644 12.333 ( 1.198 0.000 1.313) 1.777 13.714 ( -10.948 0.000 1.069) 11.000 13.734 ( -10.442 -0.000 -1.498) 10.549 15.280 ( 6.632 0.000 2.897) 7.237 15.347 ( 2.594 -0.000 -3.944) 4.720 16.692 ( 5.650 0.000 -2.816) 6.313 16.706 ( 4.594 0.000 -4.157) 6.196 19.070 ( 6.944 -0.000 0.976) 7.012 19.112 ( 4.394 0.000 -3.423) 5.570 20.370 ( -0.275 0.000 6.430) 6.436 20.459 ( -4.489 0.000 -2.666) 5.220 39.306 ( 6.019 -0.000 3.346) 6.886 39.315 ( 5.542 0.000 2.401) 6.040 42.124 ( 0.157 0.000 0.386) 0.417 42.134 ( -0.352 -0.000 -0.683) 0.768 56.191 ( -6.894 0.000 0.424) 6.907 56.223 ( -8.435 0.000 -2.898) 8.919 ======================= Grid point 1367 (420/420) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 Number of triplets: 385 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 8.985 ( -0.001 -2.672 4.125) 4.914 8.985 ( 0.002 2.672 4.125) 4.914 10.162 ( -0.456 -0.512 5.887) 5.927 10.162 ( 0.457 0.512 5.887) 5.927 11.345 ( -0.740 -1.080 -1.952) 2.351 11.345 ( 0.740 1.080 -1.952) 2.351 12.333 ( -0.093 -3.469 2.010) 4.010 12.333 ( 0.093 3.469 2.010) 4.010 13.614 ( -0.065 -6.534 -0.481) 6.552 13.614 ( 0.065 6.534 -0.481) 6.552 15.362 ( -0.501 -2.172 -0.803) 2.369 15.362 ( 0.501 2.172 -0.803) 2.369 16.750 ( -0.029 -1.371 -3.646) 3.895 16.750 ( 0.029 1.371 -3.646) 3.895 19.152 ( -0.172 -2.566 -1.044) 2.775 19.152 ( 0.172 2.566 -1.044) 2.775 20.388 ( -1.579 -0.966 1.981) 2.711 20.388 ( 1.579 0.966 1.981) 2.711 39.368 ( -0.020 -1.350 2.920) 3.217 39.368 ( 0.020 1.350 2.920) 3.217 42.128 ( -0.090 -0.378 0.021) 0.389 42.128 ( 0.090 0.378 0.021) 0.389 56.132 ( -0.301 -1.055 -1.071) 1.534 56.132 ( 0.302 1.055 -1.071) 1.534 =================== 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 3/57024 10.0 35732.760 14266.016 25847.189 0.000 0.000 0.000 3/57024 20.0 21647.278 18091.235 25766.251 0.000 0.000 0.000 3/57024 30.0 10637.003 9373.770 12396.964 0.000 0.000 0.000 3/57024 40.0 5108.476 4412.745 5673.606 0.000 0.000 0.000 3/57024 50.0 2464.427 2106.184 2615.343 0.000 0.000 0.000 3/57024 60.0 1293.799 1087.634 1313.044 0.000 0.000 0.000 3/57024 70.0 752.336 617.401 732.713 0.000 0.000 0.000 3/57024 80.0 479.578 382.891 450.846 0.000 0.000 0.000 3/57024 90.0 329.769 256.067 300.977 0.000 0.000 0.000 3/57024 100.0 240.962 182.209 214.509 0.000 0.000 0.000 3/57024 110.0 184.805 136.351 161.032 0.000 0.000 0.000 3/57024 120.0 147.328 106.293 125.993 0.000 0.000 0.000 3/57024 130.0 121.166 85.672 101.913 0.000 0.000 0.000 3/57024 140.0 102.202 70.969 84.694 0.000 0.000 0.000 3/57024 150.0 88.010 60.138 71.964 0.000 0.000 0.000 3/57024 160.0 77.096 51.931 62.284 0.000 0.000 0.000 3/57024 170.0 68.505 45.561 54.742 0.000 0.000 0.000 3/57024 180.0 61.604 40.510 48.743 0.000 0.000 0.000 3/57024 190.0 55.960 36.431 43.882 0.000 0.000 0.000 3/57024 200.0 51.274 33.082 39.881 0.000 0.000 0.000 3/57024 210.0 47.328 30.294 36.540 0.000 0.000 0.000 3/57024 220.0 43.964 27.940 33.715 0.000 0.000 0.000 3/57024 230.0 41.066 25.932 31.300 0.000 0.000 0.000 3/57024 240.0 38.545 24.200 29.214 0.000 0.000 0.000 3/57024 250.0 36.332 22.692 27.396 0.000 0.000 0.000 3/57024 260.0 34.374 21.369 25.798 0.000 0.000 0.000 3/57024 270.0 32.630 20.198 24.384 0.000 0.000 0.000 3/57024 280.0 31.066 19.155 23.123 0.000 0.000 0.000 3/57024 290.0 29.656 18.220 21.993 0.000 0.000 0.000 3/57024 300.0 28.377 17.377 20.974 0.000 0.000 0.000 3/57024 310.0 27.211 16.613 20.049 0.000 0.000 0.000 3/57024 320.0 26.145 15.917 19.208 0.000 0.000 0.000 3/57024 330.0 25.164 15.280 18.438 0.000 0.000 0.000 3/57024 340.0 24.260 14.695 17.730 0.000 0.000 0.000 3/57024 350.0 23.423 14.156 17.078 0.000 0.000 0.000 3/57024 360.0 22.645 13.657 16.475 0.000 0.000 0.000 3/57024 370.0 21.921 13.194 15.916 0.000 0.000 0.000 3/57024 380.0 21.245 12.762 15.395 0.000 0.000 0.000 3/57024 390.0 20.612 12.360 14.909 0.000 0.000 0.000 3/57024 400.0 20.017 11.983 14.454 0.000 0.000 0.000 3/57024 410.0 19.458 11.630 14.028 0.000 0.000 0.000 3/57024 420.0 18.931 11.298 13.627 0.000 0.000 0.000 3/57024 430.0 18.433 10.985 13.249 0.000 0.000 0.000 3/57024 440.0 17.962 10.689 12.893 0.000 0.000 0.000 3/57024 450.0 17.516 10.410 12.556 0.000 0.000 0.000 3/57024 460.0 17.092 10.145 12.237 0.000 0.000 0.000 3/57024 470.0 16.690 9.894 11.935 0.000 0.000 0.000 3/57024 480.0 16.306 9.656 11.647 0.000 0.000 0.000 3/57024 490.0 15.940 9.429 11.374 0.000 0.000 0.000 3/57024 500.0 15.592 9.212 11.114 0.000 0.000 0.000 3/57024 510.0 15.258 9.006 10.865 0.000 0.000 0.000 3/57024 520.0 14.939 8.809 10.628 0.000 0.000 0.000 3/57024 530.0 14.634 8.621 10.402 0.000 0.000 0.000 3/57024 540.0 14.341 8.441 10.185 0.000 0.000 0.000 3/57024 550.0 14.060 8.268 9.977 0.000 0.000 0.000 3/57024 560.0 13.790 8.102 9.778 0.000 0.000 0.000 3/57024 570.0 13.531 7.944 9.586 0.000 0.000 0.000 3/57024 580.0 13.281 7.791 9.403 0.000 0.000 0.000 3/57024 590.0 13.041 7.644 9.226 0.000 0.000 0.000 3/57024 600.0 12.809 7.503 9.056 0.000 0.000 0.000 3/57024 610.0 12.586 7.367 8.892 0.000 0.000 0.000 3/57024 620.0 12.370 7.236 8.735 0.000 0.000 0.000 3/57024 630.0 12.162 7.109 8.582 0.000 0.000 0.000 3/57024 640.0 11.961 6.987 8.436 0.000 0.000 0.000 3/57024 650.0 11.767 6.869 8.294 0.000 0.000 0.000 3/57024 660.0 11.579 6.755 8.157 0.000 0.000 0.000 3/57024 670.0 11.397 6.645 8.025 0.000 0.000 0.000 3/57024 680.0 11.221 6.539 7.896 0.000 0.000 0.000 3/57024 690.0 11.050 6.436 7.772 0.000 0.000 0.000 3/57024 700.0 10.885 6.336 7.652 0.000 0.000 0.000 3/57024 710.0 10.724 6.239 7.536 0.000 0.000 0.000 3/57024 720.0 10.568 6.146 7.423 0.000 0.000 0.000 3/57024 730.0 10.417 6.055 7.314 0.000 0.000 0.000 3/57024 740.0 10.270 5.966 7.207 0.000 0.000 0.000 3/57024 750.0 10.128 5.881 7.104 0.000 0.000 0.000 3/57024 760.0 9.989 5.798 7.004 0.000 0.000 0.000 3/57024 770.0 9.854 5.717 6.907 0.000 0.000 0.000 3/57024 780.0 9.723 5.638 6.812 0.000 0.000 0.000 3/57024 790.0 9.595 5.562 6.720 0.000 0.000 0.000 3/57024 800.0 9.470 5.487 6.631 0.000 0.000 0.000 3/57024 810.0 9.349 5.415 6.544 0.000 0.000 0.000 3/57024 820.0 9.231 5.345 6.459 0.000 0.000 0.000 3/57024 830.0 9.116 5.276 6.376 0.000 0.000 0.000 3/57024 840.0 9.004 5.209 6.296 0.000 0.000 0.000 3/57024 850.0 8.895 5.144 6.217 0.000 0.000 0.000 3/57024 860.0 8.788 5.081 6.141 0.000 0.000 0.000 3/57024 870.0 8.684 5.019 6.066 0.000 0.000 0.000 3/57024 880.0 8.582 4.958 5.993 0.000 0.000 0.000 3/57024 890.0 8.483 4.899 5.922 0.000 0.000 0.000 3/57024 900.0 8.386 4.842 5.853 0.000 0.000 0.000 3/57024 910.0 8.291 4.786 5.785 0.000 0.000 0.000 3/57024 920.0 8.198 4.731 5.719 0.000 0.000 0.000 3/57024 930.0 8.108 4.677 5.654 0.000 0.000 0.000 3/57024 940.0 8.019 4.625 5.591 0.000 0.000 0.000 3/57024 950.0 7.932 4.573 5.529 0.000 0.000 0.000 3/57024 960.0 7.848 4.523 5.469 0.000 0.000 0.000 3/57024 970.0 7.765 4.474 5.410 0.000 0.000 0.000 3/57024 980.0 7.684 4.426 5.352 0.000 0.000 0.000 3/57024 990.0 7.604 4.380 5.296 0.000 0.000 0.000 3/57024 1000.0 7.526 4.334 5.240 0.000 0.000 0.000 3/57024 Thermal conductivity related properties were written into "kappa-m181211.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:41:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|