----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:35:04]------------------------- 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: [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.641796950004917 -5.327967844999999 0.000000000000000 b 3.641796950004917 5.327967844999999 0.000000000000000 c -3.640823957643160 0.000000000000000 3.643402286603953 Atomic positions (fractional): *1 Li 0.62486488722582 0.37513511277418 0.75000000000000 6.941 2 Li 0.37513511277418 0.62486488722582 0.25000000000000 6.941 *3 Y 0.87497581252196 0.12502418747804 0.25000000000000 88.906 4 Y 0.12502418747804 0.87497581252196 0.75000000000000 88.906 *5 F 0.26240189520588 0.17514246232531 0.30331769148686 18.998 *6 F 0.12842626593103 0.54110041730790 0.36598629030662 18.998 7 F 0.17514246232531 0.26240189520589 0.80331769148686 18.998 8 F 0.45889958269210 0.87157373406897 0.13401370969338 18.998 9 F 0.73759810479412 0.82485753767469 0.69668230851314 18.998 10 F 0.82485753767469 0.73759810479411 0.19668230851314 18.998 11 F 0.54110041730790 0.12842626593103 0.86598629030662 18.998 12 F 0.87157373406897 0.45889958269210 0.63401370969338 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.283593900009834 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655935689999998 0.000000000000000 c -3.640823957643160 0.000000000000000 3.643402286603953 Atomic positions (fractional): *1 Li 0.50000000000000 0.87513511277418 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.62486488722582 0.25000000000000 6.941 > 2 3 Li 0.00000000000000 0.37513511277418 0.75000000000000 6.941 > 1 4 Li 0.50000000000000 0.12486488722582 0.25000000000000 6.941 > 2 *5 Y 0.50000000000000 0.62502418747804 0.25000000000000 88.906 > 3 6 Y 0.00000000000000 0.87497581252196 0.75000000000000 88.906 > 4 7 Y 0.00000000000000 0.12502418747804 0.25000000000000 88.906 > 3 8 Y 0.50000000000000 0.37497581252196 0.75000000000000 88.906 > 4 *9 F 0.21877217876560 0.95637028355971 0.30331769148686 18.998 > 5 *10 F 0.83476334161947 0.70633707568844 0.36598629030662 18.998 > 6 11 F 0.71877217876560 0.54362971644029 0.80331769148686 18.998 > 7 12 F 0.16523665838053 0.70633707568844 0.13401370969338 18.998 > 8 13 F 0.28122782123440 0.54362971644029 0.69668230851314 18.998 > 9 14 F 0.78122782123440 0.95637028355971 0.19668230851314 18.998 > 10 15 F 0.33476334161947 0.79366292431156 0.86598629030662 18.998 > 11 16 F 0.66523665838053 0.79366292431156 0.63401370969338 18.998 > 12 17 F 0.71877217876560 0.45637028355971 0.30331769148686 18.998 > 5 18 F 0.33476334161947 0.20633707568844 0.36598629030662 18.998 > 6 19 F 0.21877217876560 0.04362971644029 0.80331769148686 18.998 > 7 20 F 0.66523665838053 0.20633707568844 0.13401370969338 18.998 > 8 21 F 0.78122782123440 0.04362971644029 0.69668230851314 18.998 > 9 22 F 0.28122782123440 0.45637028355971 0.19668230851314 18.998 > 10 23 F 0.83476334161947 0.29366292431156 0.86598629030662 18.998 > 11 24 F 0.16523665838053 0.29366292431156 0.63401370969338 18.998 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.567187800019669 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655935689999998 0.000000000000000 c -10.922471872929480 0.000000000000000 10.930206859811859 Atomic positions (fractional): *1 Li 0.25000000000000 0.87513511277418 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.87513511277418 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.87513511277418 0.58333333333333 6.941 > 1 4 Li 0.75000000000000 0.87513511277418 0.58333333333333 6.941 > 1 5 Li 0.25000000000000 0.87513511277418 0.91666666666667 6.941 > 1 6 Li 0.75000000000000 0.87513511277418 0.91666666666667 6.941 > 1 7 Li 0.00000000000000 0.62486488722582 0.08333333333333 6.941 > 2 8 Li 0.50000000000000 0.62486488722582 0.08333333333333 6.941 > 2 9 Li 0.00000000000000 0.62486488722582 0.41666666666667 6.941 > 2 10 Li 0.50000000000000 0.62486488722582 0.41666666666667 6.941 > 2 11 Li 0.00000000000000 0.62486488722582 0.75000000000000 6.941 > 2 12 Li 0.50000000000000 0.62486488722582 0.75000000000000 6.941 > 2 13 Li 0.00000000000000 0.37513511277418 0.25000000000000 6.941 > 1 14 Li 0.50000000000000 0.37513511277418 0.25000000000000 6.941 > 1 15 Li 0.00000000000000 0.37513511277418 0.58333333333333 6.941 > 1 16 Li 0.50000000000000 0.37513511277418 0.58333333333333 6.941 > 1 17 Li 0.00000000000000 0.37513511277418 0.91666666666667 6.941 > 1 18 Li 0.50000000000000 0.37513511277418 0.91666666666667 6.941 > 1 19 Li 0.25000000000000 0.12486488722582 0.08333333333333 6.941 > 2 20 Li 0.75000000000000 0.12486488722582 0.08333333333333 6.941 > 2 21 Li 0.25000000000000 0.12486488722582 0.41666666666667 6.941 > 2 22 Li 0.75000000000000 0.12486488722582 0.41666666666667 6.941 > 2 23 Li 0.25000000000000 0.12486488722582 0.75000000000000 6.941 > 2 24 Li 0.75000000000000 0.12486488722582 0.75000000000000 6.941 > 2 *25 Y 0.25000000000000 0.62502418747804 0.08333333333333 88.906 > 3 26 Y 0.75000000000000 0.62502418747804 0.08333333333333 88.906 > 3 27 Y 0.25000000000000 0.62502418747804 0.41666666666667 88.906 > 3 28 Y 0.75000000000000 0.62502418747804 0.41666666666667 88.906 > 3 29 Y 0.25000000000000 0.62502418747804 0.75000000000000 88.906 > 3 30 Y 0.75000000000000 0.62502418747804 0.75000000000000 88.906 > 3 31 Y 0.00000000000000 0.87497581252196 0.25000000000000 88.906 > 4 32 Y 0.50000000000000 0.87497581252196 0.25000000000000 88.906 > 4 33 Y 0.00000000000000 0.87497581252196 0.58333333333333 88.906 > 4 34 Y 0.50000000000000 0.87497581252196 0.58333333333333 88.906 > 4 35 Y 0.00000000000000 0.87497581252196 0.91666666666667 88.906 > 4 36 Y 0.50000000000000 0.87497581252196 0.91666666666667 88.906 > 4 37 Y 0.00000000000000 0.12502418747804 0.08333333333333 88.906 > 3 38 Y 0.50000000000000 0.12502418747804 0.08333333333333 88.906 > 3 39 Y 0.00000000000000 0.12502418747804 0.41666666666667 88.906 > 3 40 Y 0.50000000000000 0.12502418747804 0.41666666666667 88.906 > 3 41 Y 0.00000000000000 0.12502418747804 0.75000000000000 88.906 > 3 42 Y 0.50000000000000 0.12502418747804 0.75000000000000 88.906 > 3 43 Y 0.25000000000000 0.37497581252196 0.25000000000000 88.906 > 4 44 Y 0.75000000000000 0.37497581252196 0.25000000000000 88.906 > 4 45 Y 0.25000000000000 0.37497581252196 0.58333333333333 88.906 > 4 46 Y 0.75000000000000 0.37497581252196 0.58333333333333 88.906 > 4 47 Y 0.25000000000000 0.37497581252196 0.91666666666667 88.906 > 4 48 Y 0.75000000000000 0.37497581252196 0.91666666666667 88.906 > 4 *49 F 0.10938608938280 0.95637028355971 0.10110589716229 18.998 > 5 50 F 0.60938608938280 0.95637028355971 0.10110589716229 18.998 > 5 51 F 0.10938608938280 0.95637028355971 0.43443923049562 18.998 > 5 52 F 0.60938608938280 0.95637028355971 0.43443923049562 18.998 > 5 53 F 0.10938608938280 0.95637028355971 0.76777256382895 18.998 > 5 54 F 0.60938608938280 0.95637028355971 0.76777256382895 18.998 > 5 *55 F 0.41738167080973 0.70633707568844 0.12199543010221 18.998 > 6 56 F 0.91738167080973 0.70633707568844 0.12199543010221 18.998 > 6 57 F 0.41738167080973 0.70633707568844 0.45532876343554 18.998 > 6 58 F 0.91738167080973 0.70633707568844 0.45532876343554 18.998 > 6 59 F 0.41738167080973 0.70633707568844 0.78866209676887 18.998 > 6 60 F 0.91738167080973 0.70633707568844 0.78866209676887 18.998 > 6 61 F 0.35938608938280 0.54362971644029 0.26777256382895 18.998 > 7 62 F 0.85938608938280 0.54362971644029 0.26777256382895 18.998 > 7 63 F 0.35938608938280 0.54362971644029 0.60110589716229 18.998 > 7 64 F 0.85938608938280 0.54362971644029 0.60110589716229 18.998 > 7 65 F 0.35938608938280 0.54362971644029 0.93443923049562 18.998 > 7 66 F 0.85938608938280 0.54362971644029 0.93443923049562 18.998 > 7 67 F 0.08261832919027 0.70633707568844 0.04467123656446 18.998 > 8 68 F 0.58261832919027 0.70633707568844 0.04467123656446 18.998 > 8 69 F 0.08261832919027 0.70633707568844 0.37800456989779 18.998 > 8 70 F 0.58261832919027 0.70633707568844 0.37800456989779 18.998 > 8 71 F 0.08261832919027 0.70633707568844 0.71133790323113 18.998 > 8 72 F 0.58261832919027 0.70633707568844 0.71133790323113 18.998 > 8 73 F 0.14061391061720 0.54362971644029 0.23222743617105 18.998 > 9 74 F 0.64061391061720 0.54362971644029 0.23222743617105 18.998 > 9 75 F 0.14061391061720 0.54362971644029 0.56556076950438 18.998 > 9 76 F 0.64061391061720 0.54362971644029 0.56556076950438 18.998 > 9 77 F 0.14061391061720 0.54362971644029 0.89889410283771 18.998 > 9 78 F 0.64061391061720 0.54362971644029 0.89889410283771 18.998 > 9 79 F 0.39061391061720 0.95637028355971 0.06556076950438 18.998 > 10 80 F 0.89061391061720 0.95637028355971 0.06556076950438 18.998 > 10 81 F 0.39061391061720 0.95637028355971 0.39889410283771 18.998 > 10 82 F 0.89061391061720 0.95637028355971 0.39889410283771 18.998 > 10 83 F 0.39061391061720 0.95637028355971 0.73222743617105 18.998 > 10 84 F 0.89061391061720 0.95637028355971 0.73222743617105 18.998 > 10 85 F 0.16738167080973 0.79366292431156 0.28866209676887 18.998 > 11 86 F 0.66738167080973 0.79366292431156 0.28866209676887 18.998 > 11 87 F 0.16738167080973 0.79366292431156 0.62199543010221 18.998 > 11 88 F 0.66738167080973 0.79366292431156 0.62199543010221 18.998 > 11 89 F 0.16738167080973 0.79366292431156 0.95532876343554 18.998 > 11 90 F 0.66738167080973 0.79366292431156 0.95532876343554 18.998 > 11 91 F 0.33261832919027 0.79366292431156 0.21133790323113 18.998 > 12 92 F 0.83261832919027 0.79366292431156 0.21133790323113 18.998 > 12 93 F 0.33261832919027 0.79366292431156 0.54467123656446 18.998 > 12 94 F 0.83261832919027 0.79366292431156 0.54467123656446 18.998 > 12 95 F 0.33261832919027 0.79366292431156 0.87800456989779 18.998 > 12 96 F 0.83261832919027 0.79366292431156 0.87800456989779 18.998 > 12 97 F 0.35938608938280 0.45637028355971 0.10110589716229 18.998 > 5 98 F 0.85938608938280 0.45637028355971 0.10110589716229 18.998 > 5 99 F 0.35938608938280 0.45637028355971 0.43443923049562 18.998 > 5 100 F 0.85938608938280 0.45637028355971 0.43443923049562 18.998 > 5 101 F 0.35938608938280 0.45637028355971 0.76777256382895 18.998 > 5 102 F 0.85938608938280 0.45637028355971 0.76777256382895 18.998 > 5 103 F 0.16738167080973 0.20633707568844 0.12199543010221 18.998 > 6 104 F 0.66738167080973 0.20633707568844 0.12199543010221 18.998 > 6 105 F 0.16738167080973 0.20633707568844 0.45532876343554 18.998 > 6 106 F 0.66738167080973 0.20633707568844 0.45532876343554 18.998 > 6 107 F 0.16738167080973 0.20633707568844 0.78866209676887 18.998 > 6 108 F 0.66738167080973 0.20633707568844 0.78866209676887 18.998 > 6 109 F 0.10938608938280 0.04362971644029 0.26777256382895 18.998 > 7 110 F 0.60938608938280 0.04362971644029 0.26777256382895 18.998 > 7 111 F 0.10938608938280 0.04362971644029 0.60110589716229 18.998 > 7 112 F 0.60938608938280 0.04362971644029 0.60110589716229 18.998 > 7 113 F 0.10938608938280 0.04362971644029 0.93443923049562 18.998 > 7 114 F 0.60938608938280 0.04362971644029 0.93443923049562 18.998 > 7 115 F 0.33261832919027 0.20633707568844 0.04467123656446 18.998 > 8 116 F 0.83261832919027 0.20633707568844 0.04467123656446 18.998 > 8 117 F 0.33261832919027 0.20633707568844 0.37800456989779 18.998 > 8 118 F 0.83261832919027 0.20633707568844 0.37800456989779 18.998 > 8 119 F 0.33261832919027 0.20633707568844 0.71133790323113 18.998 > 8 120 F 0.83261832919027 0.20633707568844 0.71133790323113 18.998 > 8 121 F 0.39061391061720 0.04362971644029 0.23222743617105 18.998 > 9 122 F 0.89061391061720 0.04362971644029 0.23222743617105 18.998 > 9 123 F 0.39061391061720 0.04362971644029 0.56556076950438 18.998 > 9 124 F 0.89061391061720 0.04362971644029 0.56556076950438 18.998 > 9 125 F 0.39061391061720 0.04362971644029 0.89889410283771 18.998 > 9 126 F 0.89061391061720 0.04362971644029 0.89889410283771 18.998 > 9 127 F 0.14061391061720 0.45637028355971 0.06556076950438 18.998 > 10 128 F 0.64061391061720 0.45637028355971 0.06556076950438 18.998 > 10 129 F 0.14061391061720 0.45637028355971 0.39889410283771 18.998 > 10 130 F 0.64061391061720 0.45637028355971 0.39889410283771 18.998 > 10 131 F 0.14061391061720 0.45637028355971 0.73222743617105 18.998 > 10 132 F 0.64061391061720 0.45637028355971 0.73222743617105 18.998 > 10 133 F 0.41738167080973 0.29366292431156 0.28866209676887 18.998 > 11 134 F 0.91738167080973 0.29366292431156 0.28866209676887 18.998 > 11 135 F 0.41738167080973 0.29366292431156 0.62199543010221 18.998 > 11 136 F 0.91738167080973 0.29366292431156 0.62199543010221 18.998 > 11 137 F 0.41738167080973 0.29366292431156 0.95532876343554 18.998 > 11 138 F 0.91738167080973 0.29366292431156 0.95532876343554 18.998 > 11 139 F 0.08261832919027 0.29366292431156 0.21133790323113 18.998 > 12 140 F 0.58261832919027 0.29366292431156 0.21133790323113 18.998 > 12 141 F 0.08261832919027 0.29366292431156 0.54467123656446 18.998 > 12 142 F 0.58261832919027 0.29366292431156 0.54467123656446 18.998 > 12 143 F 0.08261832919027 0.29366292431156 0.87800456989779 18.998 > 12 144 F 0.58261832919027 0.29366292431156 0.87800456989779 18.998 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3310155 0.0000000 0.0001948 0.0000000 2.4345376 0.0000000 0.0001941 0.0000000 2.3310872 -------------------------- Born effective charges -------------------------- 1 Li 1.1646814 0.0000000 -0.0081615 0.0000000 0.9818051 0.0000000 0.0082435 0.0000000 1.1645982 2 Li 1.1646814 0.0000000 -0.0081615 0.0000000 0.9818051 0.0000000 0.0082435 0.0000000 1.1645982 3 Y 3.4039318 0.0000000 0.0191609 0.0000000 3.8871206 0.0000000 -0.0179239 0.0000000 3.4045742 4 Y 3.4039318 0.0000000 0.0191609 0.0000000 3.8871206 0.0000000 -0.0179239 0.0000000 3.4045742 5 F -0.9966788 0.3709572 0.1115583 0.3284876 -1.2171493 -0.1670129 0.1167298 -0.1668047 -1.2878421 6 F -1.2876278 -0.1664300 -0.1170580 -0.1666366 -1.2173136 -0.3289893 -0.1118896 -0.3714707 -0.9967441 7 F -0.9966788 -0.3709572 0.1115583 -0.3284876 -1.2171493 0.1670129 0.1167298 0.1668047 -1.2878421 8 F -1.2876278 0.1664300 -0.1170580 0.1666366 -1.2173136 0.3289893 -0.1118896 0.3714707 -0.9967441 9 F -0.9966788 0.3709572 0.1115583 0.3284876 -1.2171493 -0.1670129 0.1167298 -0.1668047 -1.2878421 10 F -0.9966788 -0.3709572 0.1115583 -0.3284876 -1.2171493 0.1670129 0.1167298 0.1668047 -1.2878421 11 F -1.2876278 0.1664300 -0.1170580 0.1666366 -1.2173136 0.3289893 -0.1118896 0.3714707 -0.9967441 12 F -1.2876278 -0.1664300 -0.1170580 -0.1666366 -1.2173136 -0.3289893 -0.1118896 -0.3714707 -0.9967441 ---------------------------------------------------------------------------- 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: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.936 Solver_block: 200 / 400 - Time: 0.935 Solver_block: 300 / 400 - Time: 0.933 Solver_block: 400 / 400 - Time: 0.954 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.843 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 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: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:35:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:35:30]------------------------- 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): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.641796950004917 -5.327967844999999 0.000000000000000 b 3.641796950004917 5.327967844999999 0.000000000000000 c -3.640823957643160 0.000000000000000 3.643402286603953 Atomic positions (fractional): 1 Li 0.62486488722582 0.37513511277418 0.75000000000000 6.941 2 Li 0.37513511277418 0.62486488722582 0.25000000000000 6.941 3 Y 0.87497581252196 0.12502418747804 0.25000000000000 88.906 4 Y 0.12502418747804 0.87497581252196 0.75000000000000 88.906 5 F 0.26240189520588 0.17514246232531 0.30331769148686 18.998 6 F 0.12842626593103 0.54110041730790 0.36598629030662 18.998 7 F 0.17514246232531 0.26240189520589 0.80331769148686 18.998 8 F 0.45889958269210 0.87157373406897 0.13401370969338 18.998 9 F 0.73759810479412 0.82485753767469 0.69668230851314 18.998 10 F 0.82485753767469 0.73759810479411 0.19668230851314 18.998 11 F 0.54110041730790 0.12842626593103 0.86598629030662 18.998 12 F 0.87157373406897 0.45889958269210 0.63401370969338 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.567187800019669 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655935689999998 0.000000000000000 c -10.922471872929480 0.000000000000000 10.930206859811859 Atomic positions (fractional): 1 Li 0.25000000000000 0.87513511277418 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.87513511277418 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.87513511277418 0.58333333333333 6.941 > 1 4 Li 0.75000000000000 0.87513511277418 0.58333333333333 6.941 > 1 5 Li 0.25000000000000 0.87513511277418 0.91666666666667 6.941 > 1 6 Li 0.75000000000000 0.87513511277418 0.91666666666667 6.941 > 1 7 Li 0.00000000000000 0.62486488722582 0.08333333333333 6.941 > 7 8 Li 0.50000000000000 0.62486488722582 0.08333333333333 6.941 > 7 9 Li 0.00000000000000 0.62486488722582 0.41666666666667 6.941 > 7 10 Li 0.50000000000000 0.62486488722582 0.41666666666667 6.941 > 7 11 Li 0.00000000000000 0.62486488722582 0.75000000000000 6.941 > 7 12 Li 0.50000000000000 0.62486488722582 0.75000000000000 6.941 > 7 13 Li 0.00000000000000 0.37513511277418 0.25000000000000 6.941 > 1 14 Li 0.50000000000000 0.37513511277418 0.25000000000000 6.941 > 1 15 Li 0.00000000000000 0.37513511277418 0.58333333333333 6.941 > 1 16 Li 0.50000000000000 0.37513511277418 0.58333333333333 6.941 > 1 17 Li 0.00000000000000 0.37513511277418 0.91666666666667 6.941 > 1 18 Li 0.50000000000000 0.37513511277418 0.91666666666667 6.941 > 1 19 Li 0.25000000000000 0.12486488722582 0.08333333333333 6.941 > 7 20 Li 0.75000000000000 0.12486488722582 0.08333333333333 6.941 > 7 21 Li 0.25000000000000 0.12486488722582 0.41666666666667 6.941 > 7 22 Li 0.75000000000000 0.12486488722582 0.41666666666667 6.941 > 7 23 Li 0.25000000000000 0.12486488722582 0.75000000000000 6.941 > 7 24 Li 0.75000000000000 0.12486488722582 0.75000000000000 6.941 > 7 25 Y 0.25000000000000 0.62502418747804 0.08333333333333 88.906 > 25 26 Y 0.75000000000000 0.62502418747804 0.08333333333333 88.906 > 25 27 Y 0.25000000000000 0.62502418747804 0.41666666666667 88.906 > 25 28 Y 0.75000000000000 0.62502418747804 0.41666666666667 88.906 > 25 29 Y 0.25000000000000 0.62502418747804 0.75000000000000 88.906 > 25 30 Y 0.75000000000000 0.62502418747804 0.75000000000000 88.906 > 25 31 Y 0.00000000000000 0.87497581252196 0.25000000000000 88.906 > 31 32 Y 0.50000000000000 0.87497581252196 0.25000000000000 88.906 > 31 33 Y 0.00000000000000 0.87497581252196 0.58333333333333 88.906 > 31 34 Y 0.50000000000000 0.87497581252196 0.58333333333333 88.906 > 31 35 Y 0.00000000000000 0.87497581252196 0.91666666666667 88.906 > 31 36 Y 0.50000000000000 0.87497581252196 0.91666666666667 88.906 > 31 37 Y 0.00000000000000 0.12502418747804 0.08333333333333 88.906 > 25 38 Y 0.50000000000000 0.12502418747804 0.08333333333333 88.906 > 25 39 Y 0.00000000000000 0.12502418747804 0.41666666666667 88.906 > 25 40 Y 0.50000000000000 0.12502418747804 0.41666666666667 88.906 > 25 41 Y 0.00000000000000 0.12502418747804 0.75000000000000 88.906 > 25 42 Y 0.50000000000000 0.12502418747804 0.75000000000000 88.906 > 25 43 Y 0.25000000000000 0.37497581252196 0.25000000000000 88.906 > 31 44 Y 0.75000000000000 0.37497581252196 0.25000000000000 88.906 > 31 45 Y 0.25000000000000 0.37497581252196 0.58333333333333 88.906 > 31 46 Y 0.75000000000000 0.37497581252196 0.58333333333333 88.906 > 31 47 Y 0.25000000000000 0.37497581252196 0.91666666666667 88.906 > 31 48 Y 0.75000000000000 0.37497581252196 0.91666666666667 88.906 > 31 49 F 0.10938608938280 0.95637028355971 0.10110589716229 18.998 > 49 50 F 0.60938608938280 0.95637028355971 0.10110589716229 18.998 > 49 51 F 0.10938608938280 0.95637028355971 0.43443923049562 18.998 > 49 52 F 0.60938608938280 0.95637028355971 0.43443923049562 18.998 > 49 53 F 0.10938608938280 0.95637028355971 0.76777256382895 18.998 > 49 54 F 0.60938608938280 0.95637028355971 0.76777256382895 18.998 > 49 55 F 0.41738167080973 0.70633707568844 0.12199543010221 18.998 > 55 56 F 0.91738167080973 0.70633707568844 0.12199543010221 18.998 > 55 57 F 0.41738167080973 0.70633707568844 0.45532876343554 18.998 > 55 58 F 0.91738167080973 0.70633707568844 0.45532876343554 18.998 > 55 59 F 0.41738167080973 0.70633707568844 0.78866209676887 18.998 > 55 60 F 0.91738167080973 0.70633707568844 0.78866209676887 18.998 > 55 61 F 0.35938608938280 0.54362971644029 0.26777256382895 18.998 > 61 62 F 0.85938608938280 0.54362971644029 0.26777256382895 18.998 > 61 63 F 0.35938608938280 0.54362971644029 0.60110589716229 18.998 > 61 64 F 0.85938608938280 0.54362971644029 0.60110589716229 18.998 > 61 65 F 0.35938608938280 0.54362971644029 0.93443923049562 18.998 > 61 66 F 0.85938608938280 0.54362971644029 0.93443923049562 18.998 > 61 67 F 0.08261832919027 0.70633707568844 0.04467123656446 18.998 > 67 68 F 0.58261832919027 0.70633707568844 0.04467123656446 18.998 > 67 69 F 0.08261832919027 0.70633707568844 0.37800456989779 18.998 > 67 70 F 0.58261832919027 0.70633707568844 0.37800456989779 18.998 > 67 71 F 0.08261832919027 0.70633707568844 0.71133790323113 18.998 > 67 72 F 0.58261832919027 0.70633707568844 0.71133790323113 18.998 > 67 73 F 0.14061391061720 0.54362971644029 0.23222743617105 18.998 > 73 74 F 0.64061391061720 0.54362971644029 0.23222743617105 18.998 > 73 75 F 0.14061391061720 0.54362971644029 0.56556076950438 18.998 > 73 76 F 0.64061391061720 0.54362971644029 0.56556076950438 18.998 > 73 77 F 0.14061391061720 0.54362971644029 0.89889410283771 18.998 > 73 78 F 0.64061391061720 0.54362971644029 0.89889410283771 18.998 > 73 79 F 0.39061391061720 0.95637028355971 0.06556076950438 18.998 > 79 80 F 0.89061391061720 0.95637028355971 0.06556076950438 18.998 > 79 81 F 0.39061391061720 0.95637028355971 0.39889410283771 18.998 > 79 82 F 0.89061391061720 0.95637028355971 0.39889410283771 18.998 > 79 83 F 0.39061391061720 0.95637028355971 0.73222743617105 18.998 > 79 84 F 0.89061391061720 0.95637028355971 0.73222743617105 18.998 > 79 85 F 0.16738167080973 0.79366292431156 0.28866209676887 18.998 > 85 86 F 0.66738167080973 0.79366292431156 0.28866209676887 18.998 > 85 87 F 0.16738167080973 0.79366292431156 0.62199543010221 18.998 > 85 88 F 0.66738167080973 0.79366292431156 0.62199543010221 18.998 > 85 89 F 0.16738167080973 0.79366292431156 0.95532876343554 18.998 > 85 90 F 0.66738167080973 0.79366292431156 0.95532876343554 18.998 > 85 91 F 0.33261832919027 0.79366292431156 0.21133790323113 18.998 > 91 92 F 0.83261832919027 0.79366292431156 0.21133790323113 18.998 > 91 93 F 0.33261832919027 0.79366292431156 0.54467123656446 18.998 > 91 94 F 0.83261832919027 0.79366292431156 0.54467123656446 18.998 > 91 95 F 0.33261832919027 0.79366292431156 0.87800456989779 18.998 > 91 96 F 0.83261832919027 0.79366292431156 0.87800456989779 18.998 > 91 97 F 0.35938608938280 0.45637028355971 0.10110589716229 18.998 > 49 98 F 0.85938608938280 0.45637028355971 0.10110589716229 18.998 > 49 99 F 0.35938608938280 0.45637028355971 0.43443923049562 18.998 > 49 100 F 0.85938608938280 0.45637028355971 0.43443923049562 18.998 > 49 101 F 0.35938608938280 0.45637028355971 0.76777256382895 18.998 > 49 102 F 0.85938608938280 0.45637028355971 0.76777256382895 18.998 > 49 103 F 0.16738167080973 0.20633707568844 0.12199543010221 18.998 > 55 104 F 0.66738167080973 0.20633707568844 0.12199543010221 18.998 > 55 105 F 0.16738167080973 0.20633707568844 0.45532876343554 18.998 > 55 106 F 0.66738167080973 0.20633707568844 0.45532876343554 18.998 > 55 107 F 0.16738167080973 0.20633707568844 0.78866209676887 18.998 > 55 108 F 0.66738167080973 0.20633707568844 0.78866209676887 18.998 > 55 109 F 0.10938608938280 0.04362971644029 0.26777256382895 18.998 > 61 110 F 0.60938608938280 0.04362971644029 0.26777256382895 18.998 > 61 111 F 0.10938608938280 0.04362971644029 0.60110589716229 18.998 > 61 112 F 0.60938608938280 0.04362971644029 0.60110589716229 18.998 > 61 113 F 0.10938608938280 0.04362971644029 0.93443923049562 18.998 > 61 114 F 0.60938608938280 0.04362971644029 0.93443923049562 18.998 > 61 115 F 0.33261832919027 0.20633707568844 0.04467123656446 18.998 > 67 116 F 0.83261832919027 0.20633707568844 0.04467123656446 18.998 > 67 117 F 0.33261832919027 0.20633707568844 0.37800456989779 18.998 > 67 118 F 0.83261832919027 0.20633707568844 0.37800456989779 18.998 > 67 119 F 0.33261832919027 0.20633707568844 0.71133790323113 18.998 > 67 120 F 0.83261832919027 0.20633707568844 0.71133790323113 18.998 > 67 121 F 0.39061391061720 0.04362971644029 0.23222743617105 18.998 > 73 122 F 0.89061391061720 0.04362971644029 0.23222743617105 18.998 > 73 123 F 0.39061391061720 0.04362971644029 0.56556076950438 18.998 > 73 124 F 0.89061391061720 0.04362971644029 0.56556076950438 18.998 > 73 125 F 0.39061391061720 0.04362971644029 0.89889410283771 18.998 > 73 126 F 0.89061391061720 0.04362971644029 0.89889410283771 18.998 > 73 127 F 0.14061391061720 0.45637028355971 0.06556076950438 18.998 > 79 128 F 0.64061391061720 0.45637028355971 0.06556076950438 18.998 > 79 129 F 0.14061391061720 0.45637028355971 0.39889410283771 18.998 > 79 130 F 0.64061391061720 0.45637028355971 0.39889410283771 18.998 > 79 131 F 0.14061391061720 0.45637028355971 0.73222743617105 18.998 > 79 132 F 0.64061391061720 0.45637028355971 0.73222743617105 18.998 > 79 133 F 0.41738167080973 0.29366292431156 0.28866209676887 18.998 > 85 134 F 0.91738167080973 0.29366292431156 0.28866209676887 18.998 > 85 135 F 0.41738167080973 0.29366292431156 0.62199543010221 18.998 > 85 136 F 0.91738167080973 0.29366292431156 0.62199543010221 18.998 > 85 137 F 0.41738167080973 0.29366292431156 0.95532876343554 18.998 > 85 138 F 0.91738167080973 0.29366292431156 0.95532876343554 18.998 > 85 139 F 0.08261832919027 0.29366292431156 0.21133790323113 18.998 > 91 140 F 0.58261832919027 0.29366292431156 0.21133790323113 18.998 > 91 141 F 0.08261832919027 0.29366292431156 0.54467123656446 18.998 > 91 142 F 0.58261832919027 0.29366292431156 0.54467123656446 18.998 > 91 143 F 0.08261832919027 0.29366292431156 0.87800456989779 18.998 > 91 144 F 0.58261832919027 0.29366292431156 0.87800456989779 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3310155 0.0000000 0.0001948 0.0000000 2.4345376 0.0000000 0.0001941 0.0000000 2.3310872 -------------------------- Born effective charges -------------------------- 1 Li 1.1646814 0.0000000 -0.0081615 0.0000000 0.9818051 0.0000000 0.0082435 0.0000000 1.1645982 2 Li 1.1646814 0.0000000 -0.0081615 0.0000000 0.9818051 0.0000000 0.0082435 0.0000000 1.1645982 3 Y 3.4039318 0.0000000 0.0191609 0.0000000 3.8871206 0.0000000 -0.0179239 0.0000000 3.4045742 4 Y 3.4039318 0.0000000 0.0191609 0.0000000 3.8871206 0.0000000 -0.0179239 0.0000000 3.4045742 5 F -0.9966788 0.3709572 0.1115583 0.3284876 -1.2171493 -0.1670129 0.1167298 -0.1668047 -1.2878421 6 F -1.2876278 -0.1664300 -0.1170580 -0.1666366 -1.2173136 -0.3289893 -0.1118896 -0.3714707 -0.9967441 7 F -0.9966788 -0.3709572 0.1115583 -0.3284876 -1.2171493 0.1670129 0.1167298 0.1668047 -1.2878421 8 F -1.2876278 0.1664300 -0.1170580 0.1666366 -1.2173136 0.3289893 -0.1118896 0.3714707 -0.9967441 9 F -0.9966788 0.3709572 0.1115583 0.3284876 -1.2171493 -0.1670129 0.1167298 -0.1668047 -1.2878421 10 F -0.9966788 -0.3709572 0.1115583 -0.3284876 -1.2171493 0.1670129 0.1167298 0.1668047 -1.2878421 11 F -1.2876278 0.1664300 -0.1170580 0.1666366 -1.2173136 0.3289893 -0.1118896 0.3714707 -0.9967441 12 F -1.2876278 -0.1664300 -0.1170580 -0.1666366 -1.2173136 -0.3289893 -0.1118896 -0.3714707 -0.9967441 ---------------------------------------------------------------------------- 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] [-0.0071 0.0000 0.0071] [ 0.0071 0.0000 -0.0071] Computing fc3[ 25, 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] [-0.0071 0.0000 0.0071] [ 0.0071 0.0000 -0.0071] Computing fc3[ 49, 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] [-0.0071 0.0000 0.0071] [ 0.0071 0.0000 -0.0071] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0071 0.0000 0.0071] [ 0.0071 0.0000 -0.0071] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:35:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:35:55]------------------------- 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): [2 1 3] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.641796950004917 -5.327967844999999 0.000000000000000 b 3.641796950004917 5.327967844999999 0.000000000000000 c -3.640823957643160 0.000000000000000 3.643402286603953 Atomic positions (fractional): 1 Li 0.62486488722582 0.37513511277418 0.75000000000000 6.941 2 Li 0.37513511277418 0.62486488722582 0.25000000000000 6.941 3 Y 0.87497581252196 0.12502418747804 0.25000000000000 88.906 4 Y 0.12502418747804 0.87497581252196 0.75000000000000 88.906 5 F 0.26240189520588 0.17514246232531 0.30331769148686 18.998 6 F 0.12842626593103 0.54110041730790 0.36598629030662 18.998 7 F 0.17514246232531 0.26240189520589 0.80331769148686 18.998 8 F 0.45889958269210 0.87157373406897 0.13401370969338 18.998 9 F 0.73759810479412 0.82485753767469 0.69668230851314 18.998 10 F 0.82485753767469 0.73759810479411 0.19668230851314 18.998 11 F 0.54110041730790 0.12842626593103 0.86598629030662 18.998 12 F 0.87157373406897 0.45889958269210 0.63401370969338 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.567187800019669 0.000000000000000 0.000000000000000 b 0.000000000000000 10.655935689999998 0.000000000000000 c -10.922471872929480 0.000000000000000 10.930206859811859 Atomic positions (fractional): 1 Li 0.25000000000000 0.87513511277418 0.25000000000000 6.941 > 1 2 Li 0.75000000000000 0.87513511277418 0.25000000000000 6.941 > 1 3 Li 0.25000000000000 0.87513511277418 0.58333333333333 6.941 > 1 4 Li 0.75000000000000 0.87513511277418 0.58333333333333 6.941 > 1 5 Li 0.25000000000000 0.87513511277418 0.91666666666667 6.941 > 1 6 Li 0.75000000000000 0.87513511277418 0.91666666666667 6.941 > 1 7 Li 0.00000000000000 0.62486488722582 0.08333333333333 6.941 > 7 8 Li 0.50000000000000 0.62486488722582 0.08333333333333 6.941 > 7 9 Li 0.00000000000000 0.62486488722582 0.41666666666667 6.941 > 7 10 Li 0.50000000000000 0.62486488722582 0.41666666666667 6.941 > 7 11 Li 0.00000000000000 0.62486488722582 0.75000000000000 6.941 > 7 12 Li 0.50000000000000 0.62486488722582 0.75000000000000 6.941 > 7 13 Li 0.00000000000000 0.37513511277418 0.25000000000000 6.941 > 1 14 Li 0.50000000000000 0.37513511277418 0.25000000000000 6.941 > 1 15 Li 0.00000000000000 0.37513511277418 0.58333333333333 6.941 > 1 16 Li 0.50000000000000 0.37513511277418 0.58333333333333 6.941 > 1 17 Li 0.00000000000000 0.37513511277418 0.91666666666667 6.941 > 1 18 Li 0.50000000000000 0.37513511277418 0.91666666666667 6.941 > 1 19 Li 0.25000000000000 0.12486488722582 0.08333333333333 6.941 > 7 20 Li 0.75000000000000 0.12486488722582 0.08333333333333 6.941 > 7 21 Li 0.25000000000000 0.12486488722582 0.41666666666667 6.941 > 7 22 Li 0.75000000000000 0.12486488722582 0.41666666666667 6.941 > 7 23 Li 0.25000000000000 0.12486488722582 0.75000000000000 6.941 > 7 24 Li 0.75000000000000 0.12486488722582 0.75000000000000 6.941 > 7 25 Y 0.25000000000000 0.62502418747804 0.08333333333333 88.906 > 25 26 Y 0.75000000000000 0.62502418747804 0.08333333333333 88.906 > 25 27 Y 0.25000000000000 0.62502418747804 0.41666666666667 88.906 > 25 28 Y 0.75000000000000 0.62502418747804 0.41666666666667 88.906 > 25 29 Y 0.25000000000000 0.62502418747804 0.75000000000000 88.906 > 25 30 Y 0.75000000000000 0.62502418747804 0.75000000000000 88.906 > 25 31 Y 0.00000000000000 0.87497581252196 0.25000000000000 88.906 > 31 32 Y 0.50000000000000 0.87497581252196 0.25000000000000 88.906 > 31 33 Y 0.00000000000000 0.87497581252196 0.58333333333333 88.906 > 31 34 Y 0.50000000000000 0.87497581252196 0.58333333333333 88.906 > 31 35 Y 0.00000000000000 0.87497581252196 0.91666666666667 88.906 > 31 36 Y 0.50000000000000 0.87497581252196 0.91666666666667 88.906 > 31 37 Y 0.00000000000000 0.12502418747804 0.08333333333333 88.906 > 25 38 Y 0.50000000000000 0.12502418747804 0.08333333333333 88.906 > 25 39 Y 0.00000000000000 0.12502418747804 0.41666666666667 88.906 > 25 40 Y 0.50000000000000 0.12502418747804 0.41666666666667 88.906 > 25 41 Y 0.00000000000000 0.12502418747804 0.75000000000000 88.906 > 25 42 Y 0.50000000000000 0.12502418747804 0.75000000000000 88.906 > 25 43 Y 0.25000000000000 0.37497581252196 0.25000000000000 88.906 > 31 44 Y 0.75000000000000 0.37497581252196 0.25000000000000 88.906 > 31 45 Y 0.25000000000000 0.37497581252196 0.58333333333333 88.906 > 31 46 Y 0.75000000000000 0.37497581252196 0.58333333333333 88.906 > 31 47 Y 0.25000000000000 0.37497581252196 0.91666666666667 88.906 > 31 48 Y 0.75000000000000 0.37497581252196 0.91666666666667 88.906 > 31 49 F 0.10938608938280 0.95637028355971 0.10110589716229 18.998 > 49 50 F 0.60938608938280 0.95637028355971 0.10110589716229 18.998 > 49 51 F 0.10938608938280 0.95637028355971 0.43443923049562 18.998 > 49 52 F 0.60938608938280 0.95637028355971 0.43443923049562 18.998 > 49 53 F 0.10938608938280 0.95637028355971 0.76777256382895 18.998 > 49 54 F 0.60938608938280 0.95637028355971 0.76777256382895 18.998 > 49 55 F 0.41738167080973 0.70633707568844 0.12199543010221 18.998 > 55 56 F 0.91738167080973 0.70633707568844 0.12199543010221 18.998 > 55 57 F 0.41738167080973 0.70633707568844 0.45532876343554 18.998 > 55 58 F 0.91738167080973 0.70633707568844 0.45532876343554 18.998 > 55 59 F 0.41738167080973 0.70633707568844 0.78866209676887 18.998 > 55 60 F 0.91738167080973 0.70633707568844 0.78866209676887 18.998 > 55 61 F 0.35938608938280 0.54362971644029 0.26777256382895 18.998 > 61 62 F 0.85938608938280 0.54362971644029 0.26777256382895 18.998 > 61 63 F 0.35938608938280 0.54362971644029 0.60110589716229 18.998 > 61 64 F 0.85938608938280 0.54362971644029 0.60110589716229 18.998 > 61 65 F 0.35938608938280 0.54362971644029 0.93443923049562 18.998 > 61 66 F 0.85938608938280 0.54362971644029 0.93443923049562 18.998 > 61 67 F 0.08261832919027 0.70633707568844 0.04467123656446 18.998 > 67 68 F 0.58261832919027 0.70633707568844 0.04467123656446 18.998 > 67 69 F 0.08261832919027 0.70633707568844 0.37800456989779 18.998 > 67 70 F 0.58261832919027 0.70633707568844 0.37800456989779 18.998 > 67 71 F 0.08261832919027 0.70633707568844 0.71133790323113 18.998 > 67 72 F 0.58261832919027 0.70633707568844 0.71133790323113 18.998 > 67 73 F 0.14061391061720 0.54362971644029 0.23222743617105 18.998 > 73 74 F 0.64061391061720 0.54362971644029 0.23222743617105 18.998 > 73 75 F 0.14061391061720 0.54362971644029 0.56556076950438 18.998 > 73 76 F 0.64061391061720 0.54362971644029 0.56556076950438 18.998 > 73 77 F 0.14061391061720 0.54362971644029 0.89889410283771 18.998 > 73 78 F 0.64061391061720 0.54362971644029 0.89889410283771 18.998 > 73 79 F 0.39061391061720 0.95637028355971 0.06556076950438 18.998 > 79 80 F 0.89061391061720 0.95637028355971 0.06556076950438 18.998 > 79 81 F 0.39061391061720 0.95637028355971 0.39889410283771 18.998 > 79 82 F 0.89061391061720 0.95637028355971 0.39889410283771 18.998 > 79 83 F 0.39061391061720 0.95637028355971 0.73222743617105 18.998 > 79 84 F 0.89061391061720 0.95637028355971 0.73222743617105 18.998 > 79 85 F 0.16738167080973 0.79366292431156 0.28866209676887 18.998 > 85 86 F 0.66738167080973 0.79366292431156 0.28866209676887 18.998 > 85 87 F 0.16738167080973 0.79366292431156 0.62199543010221 18.998 > 85 88 F 0.66738167080973 0.79366292431156 0.62199543010221 18.998 > 85 89 F 0.16738167080973 0.79366292431156 0.95532876343554 18.998 > 85 90 F 0.66738167080973 0.79366292431156 0.95532876343554 18.998 > 85 91 F 0.33261832919027 0.79366292431156 0.21133790323113 18.998 > 91 92 F 0.83261832919027 0.79366292431156 0.21133790323113 18.998 > 91 93 F 0.33261832919027 0.79366292431156 0.54467123656446 18.998 > 91 94 F 0.83261832919027 0.79366292431156 0.54467123656446 18.998 > 91 95 F 0.33261832919027 0.79366292431156 0.87800456989779 18.998 > 91 96 F 0.83261832919027 0.79366292431156 0.87800456989779 18.998 > 91 97 F 0.35938608938280 0.45637028355971 0.10110589716229 18.998 > 49 98 F 0.85938608938280 0.45637028355971 0.10110589716229 18.998 > 49 99 F 0.35938608938280 0.45637028355971 0.43443923049562 18.998 > 49 100 F 0.85938608938280 0.45637028355971 0.43443923049562 18.998 > 49 101 F 0.35938608938280 0.45637028355971 0.76777256382895 18.998 > 49 102 F 0.85938608938280 0.45637028355971 0.76777256382895 18.998 > 49 103 F 0.16738167080973 0.20633707568844 0.12199543010221 18.998 > 55 104 F 0.66738167080973 0.20633707568844 0.12199543010221 18.998 > 55 105 F 0.16738167080973 0.20633707568844 0.45532876343554 18.998 > 55 106 F 0.66738167080973 0.20633707568844 0.45532876343554 18.998 > 55 107 F 0.16738167080973 0.20633707568844 0.78866209676887 18.998 > 55 108 F 0.66738167080973 0.20633707568844 0.78866209676887 18.998 > 55 109 F 0.10938608938280 0.04362971644029 0.26777256382895 18.998 > 61 110 F 0.60938608938280 0.04362971644029 0.26777256382895 18.998 > 61 111 F 0.10938608938280 0.04362971644029 0.60110589716229 18.998 > 61 112 F 0.60938608938280 0.04362971644029 0.60110589716229 18.998 > 61 113 F 0.10938608938280 0.04362971644029 0.93443923049562 18.998 > 61 114 F 0.60938608938280 0.04362971644029 0.93443923049562 18.998 > 61 115 F 0.33261832919027 0.20633707568844 0.04467123656446 18.998 > 67 116 F 0.83261832919027 0.20633707568844 0.04467123656446 18.998 > 67 117 F 0.33261832919027 0.20633707568844 0.37800456989779 18.998 > 67 118 F 0.83261832919027 0.20633707568844 0.37800456989779 18.998 > 67 119 F 0.33261832919027 0.20633707568844 0.71133790323113 18.998 > 67 120 F 0.83261832919027 0.20633707568844 0.71133790323113 18.998 > 67 121 F 0.39061391061720 0.04362971644029 0.23222743617105 18.998 > 73 122 F 0.89061391061720 0.04362971644029 0.23222743617105 18.998 > 73 123 F 0.39061391061720 0.04362971644029 0.56556076950438 18.998 > 73 124 F 0.89061391061720 0.04362971644029 0.56556076950438 18.998 > 73 125 F 0.39061391061720 0.04362971644029 0.89889410283771 18.998 > 73 126 F 0.89061391061720 0.04362971644029 0.89889410283771 18.998 > 73 127 F 0.14061391061720 0.45637028355971 0.06556076950438 18.998 > 79 128 F 0.64061391061720 0.45637028355971 0.06556076950438 18.998 > 79 129 F 0.14061391061720 0.45637028355971 0.39889410283771 18.998 > 79 130 F 0.64061391061720 0.45637028355971 0.39889410283771 18.998 > 79 131 F 0.14061391061720 0.45637028355971 0.73222743617105 18.998 > 79 132 F 0.64061391061720 0.45637028355971 0.73222743617105 18.998 > 79 133 F 0.41738167080973 0.29366292431156 0.28866209676887 18.998 > 85 134 F 0.91738167080973 0.29366292431156 0.28866209676887 18.998 > 85 135 F 0.41738167080973 0.29366292431156 0.62199543010221 18.998 > 85 136 F 0.91738167080973 0.29366292431156 0.62199543010221 18.998 > 85 137 F 0.41738167080973 0.29366292431156 0.95532876343554 18.998 > 85 138 F 0.91738167080973 0.29366292431156 0.95532876343554 18.998 > 85 139 F 0.08261832919027 0.29366292431156 0.21133790323113 18.998 > 91 140 F 0.58261832919027 0.29366292431156 0.21133790323113 18.998 > 91 141 F 0.08261832919027 0.29366292431156 0.54467123656446 18.998 > 91 142 F 0.58261832919027 0.29366292431156 0.54467123656446 18.998 > 91 143 F 0.08261832919027 0.29366292431156 0.87800456989779 18.998 > 91 144 F 0.58261832919027 0.29366292431156 0.87800456989779 18.998 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3310155 0.0000000 0.0001948 0.0000000 2.4345376 0.0000000 0.0001941 0.0000000 2.3310872 -------------------------- Born effective charges -------------------------- 1 Li 1.1646814 0.0000000 -0.0081615 0.0000000 0.9818051 0.0000000 0.0082435 0.0000000 1.1645982 2 Li 1.1646814 0.0000000 -0.0081615 0.0000000 0.9818051 0.0000000 0.0082435 0.0000000 1.1645982 3 Y 3.4039318 0.0000000 0.0191609 0.0000000 3.8871206 0.0000000 -0.0179239 0.0000000 3.4045742 4 Y 3.4039318 0.0000000 0.0191609 0.0000000 3.8871206 0.0000000 -0.0179239 0.0000000 3.4045742 5 F -0.9966788 0.3709572 0.1115583 0.3284876 -1.2171493 -0.1670129 0.1167298 -0.1668047 -1.2878421 6 F -1.2876278 -0.1664300 -0.1170580 -0.1666366 -1.2173136 -0.3289893 -0.1118896 -0.3714707 -0.9967441 7 F -0.9966788 -0.3709572 0.1115583 -0.3284876 -1.2171493 0.1670129 0.1167298 0.1668047 -1.2878421 8 F -1.2876278 0.1664300 -0.1170580 0.1666366 -1.2173136 0.3289893 -0.1118896 0.3714707 -0.9967441 9 F -0.9966788 0.3709572 0.1115583 0.3284876 -1.2171493 -0.1670129 0.1167298 -0.1668047 -1.2878421 10 F -0.9966788 -0.3709572 0.1115583 -0.3284876 -1.2171493 0.1670129 0.1167298 0.1668047 -1.2878421 11 F -1.2876278 0.1664300 -0.1170580 0.1666366 -1.2173136 0.3289893 -0.1118896 0.3714707 -0.9967441 12 F -1.2876278 -0.1664300 -0.1170580 -0.1666366 -1.2173136 -0.3289893 -0.1118896 -0.3714707 -0.9967441 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 14 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.80, Number of G-points: 289, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/468) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 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 4.139 ( 0.000 0.000 0.000) 0.000 4.146 ( 0.000 0.000 0.000) 0.000 4.307 ( 0.000 0.000 0.000) 0.000 4.464 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 5.131 ( 0.000 0.000 0.000) 0.000 5.853 ( 0.000 0.000 0.000) 0.000 5.858 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 8.695 ( 0.000 0.000 0.000) 0.000 9.573 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.748 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 10.627 ( 0.000 0.000 0.000) 0.000 10.717 ( 0.000 0.000 0.000) 0.000 10.972 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.008 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 12.824 ( 0.000 0.000 0.000) 0.000 13.352 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.392 ( 0.000 0.000 0.000) 0.000 14.049 ( 0.000 0.000 0.000) 0.000 14.054 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/468) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 3.639 -14.031 21.664) 26.066 0.601 ( 18.533 -14.673 19.185) 30.444 1.120 ( 36.882 -31.740 28.997) 56.644 4.118 ( 5.451 14.383 1.319) 15.438 4.210 ( -3.907 15.544 -3.160) 16.336 4.406 ( 2.400 4.701 1.539) 5.498 4.545 ( 2.314 -10.649 1.655) 11.022 4.856 ( 11.698 13.146 14.671) 22.911 5.182 ( 3.594 -0.877 3.907) 5.381 5.624 ( -12.794 1.315 -10.919) 16.871 5.827 ( 0.638 6.123 -1.216) 6.275 6.260 ( -1.048 -27.333 -1.058) 27.374 6.929 ( -1.049 1.181 -0.538) 1.669 7.023 ( -6.878 0.362 -5.076) 8.556 7.579 ( -2.918 -7.017 -4.055) 8.613 7.833 ( -0.085 -15.830 -0.364) 15.835 8.751 ( 0.957 -0.098 6.029) 6.105 8.996 ( 0.292 3.780 -0.478) 3.821 9.423 ( -3.330 11.732 -10.519) 16.105 9.588 ( -0.071 4.435 5.489) 7.058 9.736 ( 4.084 -8.085 -8.242) 12.246 9.903 ( 2.050 7.458 7.507) 10.778 10.315 ( 12.462 36.383 10.010) 39.739 10.480 ( -10.208 3.316 0.104) 10.733 10.714 ( -11.146 -0.356 -11.062) 15.708 11.147 ( 7.796 4.237 -3.207) 9.435 11.222 ( 8.459 -4.253 -1.044) 9.525 11.353 ( 6.823 -8.264 18.089) 21.025 11.708 ( -33.492 -75.210 -23.487) 85.615 12.708 ( -4.070 11.075 -4.674) 12.691 12.856 ( 2.618 -2.394 3.205) 4.780 13.331 ( -4.941 -3.874 -4.828) 7.920 13.401 ( 2.847 -7.792 -4.230) 9.312 14.033 ( -1.443 -0.516 -2.172) 2.658 14.117 ( 3.876 -1.316 5.612) 6.946 17.179 ( 10.378 37.805 10.759) 40.653 ======================= Grid point 2 (3/468) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 4.180 -13.744 19.971) 24.601 1.184 ( 17.821 -13.527 18.116) 28.788 2.156 ( 31.304 -29.381 25.693) 50.033 3.931 ( -7.354 20.685 -2.700) 22.119 4.095 ( 9.527 15.168 -0.544) 17.920 4.456 ( 3.045 -2.669 0.648) 4.101 4.703 ( 2.653 -10.103 2.868) 10.832 5.050 ( 4.012 -0.425 6.520) 7.667 5.323 ( 6.255 -1.211 6.018) 8.764 5.354 ( -8.897 1.312 -4.312) 9.973 5.742 ( 2.134 10.259 -3.158) 10.944 6.411 ( -0.512 -11.198 -0.605) 11.226 6.868 ( -6.756 -1.215 -4.108) 7.999 6.890 ( -4.871 -0.393 0.895) 4.968 7.594 ( 5.847 3.632 1.428) 7.030 7.973 ( 1.272 -13.547 0.853) 13.634 8.791 ( -5.842 4.130 4.453) 8.427 8.954 ( -0.177 0.985 -3.218) 3.370 9.123 ( -2.107 11.457 -11.042) 16.051 9.653 ( 3.527 2.867 6.593) 8.008 9.775 ( 4.411 -5.359 -4.447) 8.243 9.916 ( 3.221 9.971 2.169) 10.701 10.305 ( 2.798 3.687 -2.567) 5.293 10.352 ( -16.944 5.165 12.280) 21.554 10.482 ( -0.055 1.411 -11.096) 11.186 11.047 ( -3.181 -3.518 -12.462) 13.334 11.331 ( 6.130 -4.835 -5.659) 9.643 11.629 ( -16.401 -25.427 -3.370) 30.445 11.782 ( 6.557 -6.661 19.290) 21.435 12.464 ( -5.060 12.289 -7.244) 15.136 12.968 ( 2.993 -2.192 4.068) 5.506 13.197 ( -8.905 -6.866 -8.325) 13.991 13.460 ( 6.716 -4.584 -4.847) 9.466 13.978 ( -2.424 -1.498 -3.885) 4.818 14.290 ( 4.648 -6.266 7.579) 10.877 17.093 ( 2.830 21.729 3.100) 22.131 ======================= Grid point 3 (4/468) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 4.401 -12.678 17.355) 21.938 1.714 ( 15.549 -11.607 15.629) 24.915 3.001 ( 20.007 -24.375 18.917) 36.774 3.622 ( -6.991 18.468 -4.068) 20.162 4.091 ( 10.534 13.319 -0.868) 17.003 4.518 ( 3.456 0.565 0.518) 3.540 4.805 ( -3.155 -4.111 3.314) 6.151 5.085 ( 4.087 -5.157 -5.547) 8.606 5.356 ( -1.923 -5.922 7.657) 9.869 5.441 ( 3.963 8.092 1.134) 9.082 5.702 ( 6.135 2.322 2.345) 6.967 6.425 ( -2.042 -4.426 -3.565) 6.039 6.783 ( -4.039 -0.392 -1.046) 4.191 6.854 ( -6.594 -0.387 4.210) 7.832 7.690 ( 9.892 3.973 2.816) 11.026 8.105 ( 1.035 -9.902 1.575) 10.080 8.618 ( -4.773 10.625 -6.019) 13.111 8.897 ( -3.474 0.173 -2.289) 4.164 8.991 ( 2.012 3.220 -1.449) 4.064 9.709 ( -2.175 11.633 0.718) 11.856 9.792 ( -1.365 -5.403 4.012) 6.867 9.958 ( 8.278 -2.711 -0.966) 8.764 10.164 ( -7.944 -0.669 -3.361) 8.652 10.344 ( -4.097 4.452 5.821) 8.396 10.419 ( 4.204 1.483 -3.154) 5.461 10.863 ( -3.496 -4.402 -13.603) 14.719 11.301 ( -8.103 -7.985 -4.658) 12.293 11.624 ( -5.342 -10.816 -0.813) 12.090 11.994 ( -1.870 11.660 1.772) 11.941 12.331 ( 2.565 -0.414 7.268) 7.719 12.938 ( -4.722 -0.571 -9.589) 10.703 13.154 ( -1.299 -4.711 4.965) 6.966 13.520 ( 7.658 -3.209 -5.434) 9.923 13.907 ( -2.718 -2.538 -4.735) 6.021 14.511 ( 4.093 -10.171 7.147) 13.087 16.963 ( -0.142 16.558 -0.041) 16.559 ======================= Grid point 4 (5/468) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 3.684 -9.959 13.333) 17.045 2.139 ( 11.074 -8.981 10.813) 17.895 3.245 ( -5.684 10.152 -5.667) 12.941 3.613 ( 6.050 -9.882 11.240) 16.143 4.101 ( 8.332 9.704 -1.186) 12.845 4.541 ( 3.389 5.044 0.961) 6.152 4.854 ( -2.879 -12.670 2.217) 13.181 5.165 ( 11.507 -2.191 -4.874) 12.688 5.352 ( -0.655 10.225 -1.730) 10.391 5.480 ( -1.968 -4.999 7.455) 9.190 5.853 ( 5.313 -2.737 4.926) 7.745 6.398 ( -0.250 -3.748 -2.885) 4.737 6.707 ( -3.029 2.978 -2.738) 5.053 6.828 ( -5.956 4.226 6.324) 9.661 7.823 ( 8.622 0.200 1.950) 8.842 8.208 ( 0.605 -7.573 1.915) 7.834 8.453 ( 1.975 8.157 -3.910) 9.259 8.797 ( -5.804 3.608 -0.739) 6.874 9.033 ( 5.481 -3.870 -1.247) 6.825 9.514 ( -12.969 8.747 0.929) 15.670 9.865 ( -0.309 -3.023 0.280) 3.052 10.021 ( 1.015 -5.399 -3.776) 6.666 10.156 ( 10.050 4.681 0.994) 11.132 10.292 ( -9.091 -0.901 2.786) 9.551 10.426 ( 3.474 2.205 -1.705) 4.454 10.752 ( 0.942 -3.431 -6.211) 7.158 11.191 ( -11.928 -7.691 -1.877) 14.316 11.615 ( -2.106 -1.101 -5.125) 5.649 11.772 ( -4.952 9.774 -4.354) 11.790 12.531 ( -0.067 -0.956 11.759) 11.798 12.778 ( 0.390 -0.332 -8.450) 8.465 13.242 ( -0.661 -1.744 5.087) 5.418 13.568 ( 5.990 -2.208 -4.306) 7.700 13.841 ( -2.221 -2.658 -4.426) 5.620 14.725 ( 3.080 -9.960 5.327) 11.707 16.821 ( -1.163 11.954 -1.230) 12.073 ======================= Grid point 5 (6/468) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 1.560 -4.144 5.655) 7.182 2.391 ( 4.388 -4.427 3.901) 7.353 3.033 ( -3.116 6.667 -3.437) 8.122 3.802 ( 0.364 -3.423 3.764) 5.101 4.096 ( 2.546 3.812 -0.790) 4.652 4.553 ( 1.643 1.984 0.430) 2.612 5.001 ( 0.725 -18.354 0.138) 18.368 5.175 ( 3.503 20.110 0.573) 20.421 5.308 ( 1.141 -6.414 -1.789) 6.756 5.563 ( -0.721 -1.721 3.324) 3.812 5.955 ( 1.689 -0.954 1.613) 2.522 6.401 ( -0.074 -1.365 -0.928) 1.652 6.624 ( -0.287 1.026 -2.442) 2.665 6.789 ( -3.355 4.297 3.343) 6.395 7.928 ( 3.535 -1.484 0.695) 3.896 8.305 ( 0.368 -7.324 1.708) 7.529 8.395 ( 2.983 7.706 -1.390) 8.379 8.702 ( -3.683 1.456 -0.213) 3.966 9.143 ( 8.207 -5.324 -1.346) 9.875 9.302 ( -11.627 6.167 0.792) 13.185 9.850 ( -0.811 0.636 -0.626) 1.206 10.059 ( 1.822 -3.794 -1.357) 4.423 10.179 ( 0.736 2.646 -1.479) 3.120 10.264 ( -1.707 -0.158 1.818) 2.499 10.452 ( 2.341 0.099 1.101) 2.589 10.748 ( 1.353 -1.221 -1.927) 2.653 11.128 ( -5.691 -5.147 1.264) 7.776 11.437 ( -2.294 6.428 -6.502) 9.426 11.704 ( -0.939 -0.291 0.250) 1.015 12.560 ( -3.025 0.244 0.660) 3.105 12.791 ( 3.406 -0.157 0.934) 3.535 13.284 ( -0.510 -0.483 1.533) 1.686 13.601 ( 2.423 -0.757 -1.123) 2.776 13.793 ( -1.044 -1.207 -2.179) 2.701 14.865 ( 1.218 -4.303 2.044) 4.918 16.721 ( -0.633 4.648 -0.701) 4.743 ======================= Grid point 12 (7/468) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 0.729 -0.000 29.053) 29.062 1.051 ( 20.355 -0.000 20.557) 28.930 1.882 ( 39.354 -0.000 28.654) 48.681 4.144 ( -2.648 0.000 -6.229) 6.769 4.276 ( -10.170 0.000 -4.478) 11.112 4.366 ( 11.618 -0.000 3.964) 12.275 4.625 ( 8.658 -0.000 2.125) 8.915 5.075 ( 2.324 -0.000 5.333) 5.818 5.313 ( 5.615 -0.000 8.048) 9.813 5.365 ( -10.575 0.000 -8.432) 13.526 5.833 ( 0.069 -0.000 -2.089) 2.090 6.252 ( 4.663 -0.000 5.249) 7.021 6.837 ( -9.144 0.000 -6.320) 11.115 6.906 ( -2.696 0.000 0.944) 2.856 7.665 ( 7.387 -0.000 5.628) 9.287 7.806 ( 3.192 -0.000 1.344) 3.464 8.809 ( -9.978 0.000 9.108) 13.510 8.977 ( 6.208 -0.000 -5.729) 8.447 9.241 ( -3.798 0.000 -19.226) 19.598 9.676 ( -3.372 0.000 9.880) 10.440 9.684 ( 9.547 -0.000 -6.099) 11.329 10.067 ( 3.340 -0.000 6.405) 7.224 10.246 ( -17.999 0.000 -1.605) 18.071 10.467 ( -2.357 0.000 -9.198) 9.495 10.666 ( -1.902 0.000 -1.435) 2.382 10.889 ( -1.338 0.000 -16.313) 16.368 11.215 ( -18.208 0.000 11.266) 21.412 11.371 ( 16.251 -0.000 -4.762) 16.935 11.751 ( 11.059 -0.000 23.725) 26.176 12.588 ( -7.864 0.000 -9.049) 11.989 12.955 ( 3.574 -0.000 6.555) 7.466 13.116 ( -6.187 0.000 -10.350) 12.058 13.419 ( 7.639 -0.000 -3.388) 8.357 13.962 ( -2.919 0.000 -4.108) 5.039 14.239 ( 3.372 -0.000 7.550) 8.269 17.309 ( -3.365 0.000 -3.016) 4.519 ======================= Grid point 13 (8/468) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 2.117 -3.142 25.499) 25.779 1.566 ( 17.991 -5.177 18.538) 26.346 2.683 ( 27.754 -10.590 22.277) 37.131 3.918 ( -8.019 15.667 -6.593) 18.794 4.141 ( -4.531 -7.813 -5.336) 10.490 4.568 ( 15.277 6.376 1.391) 16.612 4.777 ( 8.446 -3.873 2.972) 9.756 5.074 ( -4.902 6.903 -5.465) 10.077 5.234 ( -1.903 -8.637 2.675) 9.240 5.507 ( 5.774 0.894 10.703) 12.194 5.777 ( -0.524 3.932 -2.724) 4.812 6.350 ( 0.904 -3.435 0.769) 3.635 6.696 ( -6.502 -4.606 -2.152) 8.254 6.901 ( -1.153 2.321 3.415) 4.287 7.783 ( 7.278 6.995 4.168) 10.921 7.934 ( 3.762 -9.641 2.650) 10.683 8.747 ( -10.234 2.588 3.549) 11.136 8.917 ( 1.540 5.283 -14.013) 15.055 9.023 ( 2.544 -2.000 -7.061) 7.768 9.735 ( -1.328 0.353 5.234) 5.411 9.786 ( 4.269 -2.954 1.980) 5.556 9.946 ( -18.004 1.207 -2.059) 18.162 10.180 ( 3.262 1.866 3.256) 4.972 10.419 ( 5.592 -0.865 -5.165) 7.661 10.517 ( -2.045 14.499 -1.085) 14.683 10.752 ( -2.997 -9.815 -12.802) 16.407 11.135 ( -20.847 -8.408 7.949) 23.843 11.502 ( 11.325 -3.010 -4.928) 12.713 12.140 ( 7.029 4.516 16.518) 18.510 12.341 ( -7.325 1.013 -7.382) 10.449 12.921 ( -3.454 -1.052 -11.407) 11.965 13.097 ( 2.702 -1.695 7.432) 8.087 13.480 ( 9.298 -1.319 -5.149) 10.710 13.868 ( -3.378 -1.561 -5.258) 6.442 14.392 ( 1.982 -3.531 9.168) 10.023 17.180 ( -3.889 7.306 -4.016) 9.199 ======================= Grid point 14 (9/468) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 2.352 -4.165 21.235) 21.767 2.017 ( 13.674 -5.168 13.925) 20.189 3.240 ( 9.571 -9.931 11.025) 17.657 3.612 ( -6.134 12.128 -4.554) 14.333 4.120 ( -0.676 -8.823 -5.016) 10.172 4.636 ( 5.698 4.878 -3.124) 8.125 4.849 ( -2.255 12.194 1.125) 12.452 5.026 ( 14.772 -9.655 -4.521) 18.217 5.366 ( 0.530 -8.343 5.717) 10.128 5.581 ( -0.701 11.648 2.070) 11.852 5.797 ( 2.679 -3.677 6.049) 7.569 6.367 ( 1.878 0.553 -0.918) 2.162 6.690 ( -4.031 -4.803 2.365) 6.701 6.902 ( -0.586 3.951 2.280) 4.599 7.844 ( 4.784 2.955 0.072) 5.624 8.073 ( 1.475 -7.847 1.622) 8.148 8.606 ( 0.417 8.907 -3.325) 9.516 8.810 ( -1.785 -2.027 -4.216) 5.007 8.998 ( 1.748 -0.648 -2.442) 3.072 9.610 ( -18.892 2.722 0.292) 19.089 9.821 ( -0.082 -1.545 3.979) 4.269 9.915 ( 1.803 -7.060 -1.785) 7.502 10.251 ( 8.570 6.527 2.572) 11.076 10.339 ( -5.001 6.089 -3.353) 8.563 10.460 ( 4.688 1.173 -2.838) 5.605 10.687 ( -0.126 -4.067 -2.823) 4.952 11.039 ( -18.773 -9.560 4.994) 21.651 11.578 ( 6.895 -1.300 -4.239) 8.198 11.967 ( -8.179 10.278 -9.437) 16.174 12.496 ( 1.737 -2.885 12.255) 12.709 12.774 ( 2.691 -0.139 -10.316) 10.662 13.222 ( 1.734 -0.474 5.924) 6.191 13.539 ( 8.365 -1.120 -4.671) 9.646 13.788 ( -2.388 -3.038 -4.331) 5.804 14.576 ( 1.083 -6.676 9.967) 12.045 17.004 ( -4.111 8.441 -5.006) 10.640 ======================= Grid point 15 (10/468) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.951 -2.405 15.525) 15.739 2.319 ( 7.898 -3.413 6.698) 10.903 3.214 ( -5.856 12.957 -3.334) 14.604 3.623 ( -1.448 -12.720 2.432) 13.031 4.109 ( -1.063 -3.860 -5.868) 7.104 4.625 ( -2.126 -12.354 -3.399) 12.989 4.768 ( 3.473 10.226 -0.207) 10.802 5.236 ( 13.545 -2.577 -2.145) 13.954 5.431 ( -2.050 5.645 -0.932) 6.078 5.557 ( 3.959 2.780 8.101) 9.436 5.921 ( 0.291 -2.462 4.479) 5.119 6.391 ( 4.031 1.648 -0.023) 4.355 6.662 ( -3.514 2.682 -0.863) 4.503 6.874 ( -2.522 3.992 0.946) 4.816 7.868 ( 2.906 -3.646 -3.281) 5.702 8.152 ( -0.920 -9.208 -0.453) 9.265 8.560 ( 4.476 9.467 0.660) 10.492 8.724 ( -4.850 1.195 -1.982) 5.374 9.054 ( 5.409 -4.998 -0.342) 7.372 9.383 ( -14.758 3.177 1.990) 15.227 9.854 ( -1.951 -1.422 0.268) 2.429 9.981 ( 4.779 -4.558 -0.392) 6.615 10.198 ( -4.395 2.683 -2.774) 5.848 10.321 ( 6.402 4.882 -0.487) 8.066 10.472 ( -2.144 1.741 4.657) 5.414 10.720 ( 2.379 -1.896 -0.076) 3.043 10.998 ( -8.828 -9.398 5.302) 13.941 11.548 ( -0.673 5.923 -6.816) 9.055 11.738 ( -0.907 3.634 -3.421) 5.073 12.561 ( -0.051 -0.110 -1.834) 1.838 12.776 ( 4.140 -1.397 -1.100) 4.506 13.287 ( 1.696 0.834 1.562) 2.452 13.593 ( 5.082 -0.246 -1.516) 5.309 13.761 ( -0.656 -2.378 -0.498) 2.516 14.766 ( 0.417 -6.379 9.131) 11.147 16.821 ( -3.913 6.196 -5.597) 9.221 ======================= Grid point 16 (11/468) ======================= q-point: (-0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -1.726 3.874 5.664) 7.076 2.441 ( 2.186 0.873 0.363) 2.382 3.027 ( -3.929 6.488 -0.377) 7.594 3.695 ( -4.153 -12.466 -2.068) 13.302 4.013 ( -5.487 -5.354 -7.619) 10.809 4.676 ( 6.681 7.368 -2.827) 10.340 4.774 ( -6.412 -17.761 2.579) 19.058 5.252 ( -6.155 9.552 3.358) 11.849 5.415 ( 13.212 2.052 -7.893) 15.526 5.653 ( 2.938 9.561 4.524) 10.978 5.947 ( -3.798 -1.404 0.853) 4.138 6.416 ( 2.712 1.712 0.129) 3.210 6.616 ( 0.097 -0.360 1.031) 1.097 6.784 ( -2.234 3.534 -3.886) 5.708 7.888 ( -0.969 -5.523 -3.793) 6.770 8.201 ( -3.289 -11.104 -1.422) 11.668 8.498 ( -0.288 10.340 -0.363) 10.350 8.680 ( 0.030 -0.684 -0.100) 0.692 9.181 ( 5.810 -6.209 -0.478) 8.517 9.241 ( -7.252 4.711 3.549) 9.347 9.847 ( 0.531 -0.714 0.400) 0.976 10.078 ( 2.797 -1.951 1.871) 3.890 10.127 ( -2.695 -0.818 -0.435) 2.850 10.312 ( 2.757 4.259 -2.215) 5.536 10.468 ( -6.089 1.274 4.166) 7.487 10.760 ( 0.292 0.195 2.548) 2.572 11.122 ( 3.168 -6.862 7.284) 10.497 11.405 ( -0.035 4.499 -2.076) 4.955 11.734 ( 4.381 2.189 -0.655) 4.942 12.554 ( 5.173 -0.464 -4.292) 6.737 12.782 ( -1.428 -1.044 -2.059) 2.714 13.300 ( 2.686 1.232 -2.360) 3.782 13.619 ( 0.284 1.413 1.255) 1.911 13.800 ( 0.808 -0.279 4.279) 4.363 14.894 ( -1.011 -0.795 6.001) 6.137 16.680 ( -3.122 -0.216 -5.133) 6.012 ======================= Grid point 17 (12/468) ======================= q-point: (-0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -3.743 11.897 -3.889) 13.065 2.321 ( -6.445 11.914 -6.834) 15.171 3.058 ( 2.059 -9.762 4.490) 10.941 3.683 ( -3.011 -4.274 -5.724) 7.752 3.893 ( -11.026 -11.467 -6.544) 17.202 4.603 ( 3.532 11.686 -4.294) 12.941 4.916 ( -8.420 -21.714 5.775) 23.995 5.105 ( -2.608 13.816 -0.823) 14.084 5.420 ( 3.465 6.661 -2.957) 8.069 5.571 ( 1.316 9.123 -5.482) 10.725 5.879 ( -7.120 -0.042 -2.427) 7.523 6.459 ( 2.836 2.102 2.600) 4.384 6.653 ( -1.425 -1.051 2.939) 3.431 6.752 ( 8.270 -4.599 -4.655) 10.545 7.806 ( -9.574 -2.471 -4.004) 10.668 8.231 ( 0.032 -7.955 -2.958) 8.487 8.423 ( -1.748 6.709 3.154) 7.617 8.710 ( 2.618 -5.384 -2.033) 6.323 9.115 ( -7.456 4.636 1.594) 8.924 9.355 ( 9.428 -7.861 -1.676) 12.389 9.898 ( 0.834 -0.148 3.610) 3.708 10.089 ( -6.316 -0.360 2.970) 6.989 10.113 ( 1.241 2.559 -0.447) 2.879 10.302 ( 3.883 -0.197 -2.847) 4.819 10.428 ( -1.935 2.502 1.182) 3.377 10.795 ( -1.641 1.451 7.222) 7.547 11.303 ( 8.213 4.168 6.429) 11.232 11.488 ( 2.445 -9.705 8.378) 13.052 11.767 ( 8.242 4.304 -1.968) 9.504 12.531 ( 1.390 -0.822 -10.535) 10.658 12.787 ( 3.080 0.799 5.024) 5.947 13.275 ( 3.602 1.968 -5.384) 6.770 13.613 ( -3.699 3.094 4.345) 6.491 13.873 ( 0.902 1.190 5.861) 6.048 14.883 ( -3.238 7.721 0.963) 8.428 16.631 ( -2.394 -9.471 -3.933) 10.531 ======================= Grid point 18 (13/468) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -4.474 18.346 -8.166) 20.573 1.956 ( -11.988 16.700 -11.802) 23.704 3.290 ( 5.312 -17.433 4.303) 18.726 3.434 ( -9.938 20.673 -14.003) 26.874 3.801 ( -13.910 -18.345 -2.630) 23.173 4.516 ( 2.344 2.571 -3.231) 4.748 4.968 ( 2.307 12.009 -2.131) 12.413 5.052 ( -7.726 -13.314 6.208) 16.598 5.350 ( -4.190 2.573 2.182) 5.379 5.444 ( 3.573 4.857 -10.841) 12.406 5.706 ( -10.364 1.422 -5.693) 11.910 6.496 ( 3.310 4.002 2.179) 5.632 6.712 ( 2.937 -4.827 1.398) 5.820 6.879 ( 9.057 -1.260 -0.409) 9.153 7.638 ( -11.556 -2.431 -2.382) 12.047 8.248 ( 3.595 4.623 -1.980) 6.182 8.455 ( -0.438 -6.070 6.635) 9.003 8.785 ( 3.678 -10.034 -3.017) 11.105 9.011 ( -4.772 2.225 -0.836) 5.331 9.499 ( 4.736 -10.044 -2.483) 11.379 9.842 ( -10.150 -0.321 -3.224) 10.654 10.038 ( -5.803 6.552 5.503) 10.339 10.189 ( 10.649 1.664 4.326) 11.614 10.324 ( 5.291 -1.149 -5.518) 7.730 10.392 ( -2.550 0.636 0.433) 2.663 10.911 ( 1.911 1.010 12.024) 12.217 11.413 ( 1.459 5.841 7.379) 9.524 11.724 ( 2.244 -7.981 7.889) 11.444 11.851 ( 15.621 3.040 -0.994) 15.945 12.362 ( -2.013 3.134 -11.152) 11.758 12.943 ( 6.234 0.241 7.574) 9.813 13.242 ( 6.001 5.129 -3.149) 8.500 13.582 ( -5.494 3.864 4.831) 8.274 13.944 ( 0.515 1.666 5.903) 6.155 14.717 ( -5.130 13.175 -3.899) 14.667 16.664 ( -3.524 -17.292 -4.303) 18.165 ======================= Grid point 19 (14/468) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -4.426 23.386 -8.689) 25.338 1.474 ( -13.827 20.022 -13.462) 27.808 2.769 ( -19.179 39.410 -18.797) 47.690 3.560 ( 5.412 -21.409 0.803) 22.097 3.781 ( -11.237 -19.750 -1.660) 22.783 4.513 ( 1.700 3.296 -0.542) 3.748 4.885 ( 0.385 10.081 -0.484) 10.100 5.074 ( -3.787 -0.892 -2.039) 4.393 5.333 ( 3.719 -0.334 -7.284) 8.185 5.335 ( -4.897 -0.906 0.762) 5.038 5.544 ( -7.623 -9.316 -1.059) 12.084 6.534 ( 4.086 4.305 1.264) 6.069 6.830 ( 4.112 -2.892 4.075) 6.472 6.933 ( 2.708 0.621 -2.395) 3.668 7.560 ( -2.594 -0.957 3.140) 4.184 8.195 ( 1.676 11.864 0.541) 11.994 8.649 ( 3.415 -11.098 4.671) 12.516 8.900 ( 1.879 -13.407 -0.996) 13.575 8.952 ( 1.243 -1.858 -1.654) 2.780 9.552 ( -8.321 -8.670 -0.851) 12.047 9.674 ( -4.612 -5.823 -8.663) 11.411 9.988 ( -4.277 9.221 7.881) 12.862 10.246 ( -1.607 1.833 -6.766) 7.192 10.353 ( 9.013 -2.390 -3.399) 9.925 10.477 ( 7.603 1.023 10.180) 12.747 11.065 ( 0.479 -0.662 7.989) 8.031 11.400 ( -6.233 3.240 1.584) 7.202 11.787 ( -3.192 3.769 -3.630) 6.129 12.080 ( 23.926 8.543 6.078) 26.123 12.277 ( 2.051 -1.926 3.644) 4.604 13.026 ( 1.783 4.275 0.135) 4.634 13.310 ( 8.371 6.476 5.994) 12.163 13.552 ( -1.764 5.257 5.504) 7.813 14.004 ( 0.078 1.447 5.133) 5.333 14.458 ( -6.181 13.122 -7.342) 16.257 16.692 ( -8.425 -23.078 -8.678) 26.056 ======================= Grid point 20 (15/468) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( -3.426 28.018 -5.317) 28.723 0.956 ( -12.189 24.769 -11.699) 29.983 1.893 ( -18.612 52.498 -17.858) 58.492 3.790 ( 2.814 -22.491 -3.540) 22.941 3.823 ( -7.500 -20.912 -0.106) 22.217 4.456 ( -0.682 7.905 -1.003) 7.998 4.771 ( -1.701 12.913 -0.126) 13.025 4.885 ( -7.177 8.017 -9.151) 14.125 5.211 ( -3.674 2.300 -4.114) 5.976 5.500 ( 9.454 -11.676 5.533) 16.010 5.626 ( -2.547 -16.216 1.527) 16.486 6.521 ( 0.447 7.565 -0.226) 7.582 6.889 ( -0.518 -3.446 -0.510) 3.522 7.000 ( 4.459 -2.692 3.932) 6.526 7.666 ( 7.974 3.668 9.023) 12.588 8.136 ( 4.434 14.316 4.746) 15.720 8.734 ( -0.602 -3.108 -2.379) 3.960 8.891 ( -5.952 -8.020 -5.739) 11.518 9.194 ( 9.790 -14.013 7.147) 18.528 9.455 ( -9.289 -7.442 -2.396) 12.141 9.622 ( -4.368 -15.397 -8.460) 18.103 9.963 ( -1.678 10.498 6.469) 12.444 10.095 ( -3.871 2.587 -9.222) 10.331 10.442 ( 4.727 -3.955 1.721) 6.399 10.730 ( 12.481 1.468 9.970) 16.041 11.093 ( -6.833 -2.047 0.592) 7.158 11.247 ( -8.086 0.539 -8.973) 12.091 11.576 ( -2.935 15.676 -4.242) 16.503 12.424 ( 5.968 -17.336 2.348) 18.484 12.531 ( 26.232 18.227 25.636) 40.958 13.001 ( 6.974 14.600 5.660) 17.141 13.376 ( 0.142 2.653 2.057) 3.360 13.617 ( 7.276 13.243 9.145) 17.662 14.046 ( -0.571 1.094 3.841) 4.034 14.186 ( -5.421 7.608 -8.679) 12.751 16.566 ( -21.080 -27.639 -21.015) 40.619 ======================= Grid point 21 (16/468) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -0.000 30.660 -0.000) 30.660 0.531 ( -0.000 30.931 -0.000) 30.931 1.100 ( -0.000 63.988 -0.000) 63.988 3.929 ( 0.000 -18.227 0.000) 18.227 3.933 ( 0.000 -18.323 0.000) 18.323 4.371 ( -0.000 7.253 -0.000) 7.253 4.639 ( -0.000 14.075 -0.000) 14.075 4.642 ( -0.000 14.278 -0.000) 14.278 5.145 ( -0.000 1.516 -0.000) 1.516 5.742 ( 0.000 -12.484 0.000) 12.484 5.746 ( 0.000 -12.555 0.000) 12.555 6.466 ( -0.000 3.858 -0.000) 3.858 6.917 ( 0.000 -3.092 0.000) 3.092 7.089 ( 0.000 -2.617 0.000) 2.617 7.785 ( -0.000 3.528 -0.000) 3.528 8.315 ( 0.000 -1.833 0.000) 1.833 8.706 ( -0.000 0.948 -0.000) 0.948 8.709 ( -0.000 0.920 -0.000) 0.920 9.436 ( 0.000 -9.556 0.000) 9.556 9.442 ( 0.000 -9.409 0.000) 9.409 9.665 ( 0.000 -19.191 0.000) 19.191 9.898 ( -0.000 11.522 -0.000) 11.522 9.902 ( -0.000 11.547 -0.000) 11.547 10.561 ( 0.000 -6.290 0.000) 6.290 10.976 ( -0.000 0.770 -0.000) 0.770 11.010 ( -0.000 0.519 -0.000) 0.519 11.013 ( -0.000 0.571 -0.000) 0.571 11.402 ( -0.000 15.699 -0.000) 15.699 12.623 ( 0.000 -18.502 0.000) 18.502 12.805 ( -0.000 0.122 -0.000) 0.122 13.366 ( -0.000 1.539 -0.000) 1.539 13.368 ( -0.000 1.577 -0.000) 1.577 13.598 ( -0.000 19.095 -0.000) 19.095 14.058 ( -0.000 1.002 -0.000) 1.002 14.063 ( -0.000 1.022 -0.000) 1.022 16.140 ( 0.000 -3.967 0.000) 3.967 ======================= Grid point 24 (17/468) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 1.102 -0.000 24.252) 24.277 1.971 ( 14.732 -0.000 15.591) 21.450 3.133 ( 13.591 -0.000 13.376) 19.069 3.842 ( -10.834 0.000 -5.661) 12.224 3.911 ( -1.385 0.000 -6.739) 6.880 4.723 ( -5.107 0.000 -10.007) 11.235 4.905 ( 24.182 -0.000 0.716) 24.193 5.022 ( 1.142 -0.000 -1.272) 1.710 5.247 ( 2.192 -0.000 5.627) 6.039 5.719 ( -5.233 0.000 -2.300) 5.717 5.727 ( 4.217 -0.000 11.893) 12.618 6.392 ( 2.490 -0.000 3.460) 4.263 6.620 ( -1.005 0.000 1.868) 2.122 6.939 ( 0.245 -0.000 0.248) 0.348 7.904 ( 0.928 -0.000 -0.473) 1.041 7.971 ( 3.620 -0.000 2.430) 4.360 8.725 ( -4.492 0.000 4.684) 6.490 8.752 ( 3.684 -0.000 -13.497) 13.991 8.993 ( 1.643 -0.000 -3.834) 4.172 9.635 ( -22.628 0.000 1.005) 22.650 9.813 ( -3.993 0.000 5.140) 6.509 9.833 ( 6.660 -0.000 -0.957) 6.728 10.319 ( 5.174 -0.000 3.523) 6.260 10.422 ( 4.824 -0.000 -4.865) 6.851 10.476 ( 0.980 -0.000 -10.886) 10.930 10.630 ( -0.078 0.000 3.115) 3.116 10.936 ( -22.698 0.000 9.448) 24.586 11.570 ( 10.535 -0.000 -4.938) 11.635 12.067 ( -11.261 0.000 -11.379) 16.009 12.461 ( 3.806 -0.000 13.208) 13.745 12.773 ( 3.627 -0.000 -10.802) 11.395 13.220 ( 2.747 -0.000 6.554) 7.107 13.530 ( 9.462 -0.000 -4.981) 10.693 13.758 ( -2.255 0.000 -4.529) 5.059 14.516 ( -0.228 0.000 11.757) 11.759 17.080 ( -5.361 0.000 -6.488) 8.416 ======================= Grid point 25 (18/468) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.068 -0.546 20.615) 20.622 2.282 ( 8.710 -1.034 8.936) 12.521 3.331 ( -0.799 -2.090 3.595) 4.234 3.589 ( -5.285 12.196 -3.171) 13.665 3.924 ( -1.050 -15.660 -5.309) 16.569 4.467 ( -11.444 -3.457 -11.005) 16.249 5.001 ( 8.099 11.477 -3.423) 14.458 5.194 ( 22.415 -3.075 -6.286) 23.482 5.410 ( 0.578 -3.169 11.438) 11.883 5.617 ( -5.282 1.563 1.529) 5.716 5.891 ( 1.120 -0.833 7.361) 7.493 6.460 ( 4.714 4.592 3.431) 7.421 6.688 ( 0.644 0.111 4.028) 4.081 6.901 ( -0.453 -0.194 -4.849) 4.874 7.855 ( -2.177 2.261 -3.006) 4.346 8.003 ( -0.572 -7.301 -4.696) 8.699 8.687 ( 2.954 5.072 1.013) 5.957 8.738 ( -1.762 -0.334 -2.264) 2.888 8.989 ( 3.522 -1.973 -0.692) 4.096 9.413 ( -15.591 0.541 3.262) 15.938 9.811 ( -4.640 -2.107 1.872) 5.429 9.920 ( 5.518 -2.206 1.221) 6.066 10.280 ( -0.487 4.456 -6.302) 7.734 10.397 ( 3.498 3.390 -1.739) 5.172 10.494 ( -1.778 0.512 4.936) 5.271 10.694 ( 2.764 -0.772 2.226) 3.632 10.842 ( -11.042 -6.965 7.659) 15.136 11.627 ( 6.479 2.734 -2.861) 7.592 11.793 ( -8.189 2.029 -8.121) 11.710 12.558 ( 2.644 -0.199 -2.563) 3.688 12.754 ( 4.450 -0.862 -3.061) 5.470 13.304 ( 3.252 0.794 0.986) 3.490 13.591 ( 6.392 0.012 -1.136) 6.493 13.723 ( 0.372 -1.520 0.177) 1.575 14.680 ( -0.907 -2.911 13.285) 13.630 16.903 ( -5.777 2.786 -8.181) 10.395 ======================= Grid point 26 (19/468) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( -1.959 2.095 14.001) 14.291 2.433 ( 4.169 -1.054 2.675) 5.065 3.215 ( -7.693 12.395 -2.522) 14.805 3.506 ( -2.997 -6.194 -0.809) 6.928 3.907 ( -5.041 -7.977 -10.548) 14.153 4.357 ( -7.424 -19.253 -0.134) 20.635 4.947 ( 8.436 12.849 -5.155) 16.213 5.362 ( 15.698 -2.126 -7.909) 17.706 5.423 ( -4.944 6.893 2.362) 8.805 5.722 ( 1.298 -3.911 10.085) 10.895 5.952 ( -1.513 1.965 3.195) 4.044 6.511 ( 6.030 8.031 0.417) 10.052 6.632 ( -3.342 3.686 -2.374) 5.513 6.840 ( -2.475 1.041 -3.916) 4.748 7.792 ( -1.170 -4.051 -4.038) 5.838 7.993 ( -3.588 -12.212 -5.236) 13.763 8.643 ( -2.826 4.953 -2.679) 6.301 8.694 ( -0.979 2.727 1.448) 3.239 9.088 ( 6.992 -3.603 0.047) 7.866 9.317 ( -8.204 3.436 6.639) 11.099 9.798 ( -2.884 -4.231 0.661) 5.163 10.033 ( 4.016 -2.541 2.768) 5.500 10.176 ( 1.460 5.763 -3.509) 6.903 10.382 ( 0.106 3.151 -0.588) 3.207 10.476 ( -9.599 -0.540 6.606) 11.665 10.757 ( 1.833 -0.507 1.926) 2.707 10.972 ( 3.183 -8.294 7.619) 11.704 11.534 ( -0.817 8.609 -2.413) 8.978 11.749 ( 4.525 -0.957 -0.457) 4.647 12.546 ( 5.960 -0.417 -7.448) 9.549 12.763 ( 1.856 -0.974 -2.498) 3.261 13.319 ( 4.532 0.887 -4.619) 6.532 13.647 ( 1.701 1.671 2.732) 3.627 13.786 ( 0.842 -1.174 5.786) 5.964 14.858 ( -0.792 -2.585 12.128) 12.426 16.698 ( -5.923 1.651 -9.366) 11.204 ======================= Grid point 27 (20/468) ======================= q-point: (-0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -3.368 8.921 4.155) 10.402 2.491 ( 1.569 5.197 0.531) 5.454 2.979 ( -8.010 3.054 -4.149) 9.524 3.522 ( -5.801 -11.232 -1.055) 12.686 3.760 ( -3.592 -4.830 -9.105) 10.915 4.513 ( -6.226 -22.802 5.939) 24.372 4.854 ( 5.974 13.548 -6.809) 16.297 5.313 ( -4.130 10.816 1.991) 11.748 5.437 ( 10.793 -2.160 -10.108) 14.944 5.802 ( -2.310 8.691 1.947) 9.202 5.860 ( -8.698 2.710 -2.227) 9.379 6.479 ( 3.859 2.259 -0.682) 4.523 6.649 ( 1.733 -2.377 4.139) 5.078 6.722 ( -0.856 2.932 -5.783) 6.540 7.742 ( -7.710 -4.336 -3.342) 9.456 8.022 ( 0.680 -15.069 -4.878) 15.853 8.547 ( -2.277 5.498 0.117) 5.952 8.657 ( -2.163 -0.184 -1.307) 2.534 9.145 ( -2.097 -0.428 -2.848) 3.563 9.316 ( 4.132 2.938 4.169) 6.564 9.841 ( -3.244 -5.787 3.553) 7.526 10.096 ( -1.082 -2.689 0.684) 2.978 10.143 ( 5.030 5.222 -0.449) 7.265 10.338 ( -3.705 3.867 2.935) 6.107 10.462 ( -0.534 0.570 0.578) 0.972 10.799 ( -1.453 -0.949 4.843) 5.144 11.208 ( 4.430 -10.081 9.243) 14.377 11.513 ( 4.996 8.285 5.810) 11.285 11.815 ( 7.615 0.690 -1.361) 7.766 12.511 ( 2.440 -1.237 -8.478) 8.909 12.804 ( 7.763 1.183 1.247) 7.951 13.303 ( 6.393 1.146 -6.795) 9.400 13.669 ( -2.480 3.229 4.771) 6.272 13.883 ( -0.797 -0.049 8.163) 8.202 14.973 ( -1.613 2.904 7.569) 8.266 16.513 ( -5.903 -4.258 -9.362) 11.858 ======================= Grid point 28 (21/468) ======================= q-point: (-0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -3.383 16.264 -1.602) 16.689 2.280 ( -7.999 20.773 -7.690) 23.551 2.981 ( 0.587 -16.822 -0.151) 16.833 3.499 ( -11.484 -15.410 -3.233) 19.488 3.696 ( 2.619 7.267 -1.990) 7.976 4.639 ( 1.270 3.632 -7.902) 8.789 4.740 ( -7.104 -11.571 6.148) 14.905 5.183 ( -1.892 11.533 -1.319) 11.761 5.408 ( 0.528 1.463 -6.649) 6.828 5.571 ( -1.855 10.954 -9.452) 14.587 5.723 ( -11.181 0.403 -3.419) 11.699 6.543 ( 3.405 0.036 0.875) 3.516 6.667 ( 3.373 0.580 1.332) 3.672 6.801 ( 5.461 -6.760 2.829) 9.139 7.602 ( -10.713 -1.805 -2.253) 11.095 8.143 ( 5.624 -14.038 -2.212) 15.284 8.494 ( -2.220 5.683 3.067) 6.829 8.635 ( -0.194 -5.797 -3.274) 6.660 9.020 ( -7.362 0.409 -4.687) 8.737 9.420 ( 7.608 0.131 -0.029) 7.609 9.813 ( -11.841 -2.595 -0.219) 12.124 10.091 ( -2.193 -3.579 -0.811) 4.275 10.227 ( 8.836 5.030 4.729) 11.214 10.320 ( -0.648 2.278 4.623) 5.195 10.436 ( 2.475 2.828 -4.723) 6.036 10.895 ( 0.227 -2.944 8.903) 9.380 11.439 ( 1.043 -6.317 6.260) 8.954 11.610 ( 3.253 1.588 8.620) 9.349 11.916 ( 11.337 2.076 1.287) 11.597 12.425 ( 3.319 3.586 -8.074) 9.437 12.956 ( 9.601 1.386 5.342) 11.074 13.317 ( 10.122 3.431 -3.074) 11.121 13.648 ( -4.425 3.679 3.701) 6.843 13.965 ( -2.512 0.889 8.960) 9.348 14.931 ( -3.779 11.166 0.444) 11.796 16.401 ( -6.436 -13.077 -8.520) 16.883 ======================= Grid point 29 (22/468) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -3.054 22.940 -3.185) 23.361 1.851 ( -10.558 23.605 -9.880) 27.682 3.153 ( 2.755 -14.693 -2.962) 15.240 3.439 ( -11.381 -5.548 -2.320) 12.872 3.506 ( -3.424 19.163 -4.468) 19.973 4.543 ( 5.086 0.929 -1.712) 5.446 4.899 ( -5.331 -18.464 5.304) 19.936 5.044 ( -2.103 8.612 -2.618) 9.243 5.302 ( -5.189 -0.194 -1.760) 5.483 5.384 ( 2.843 5.383 -12.236) 13.666 5.503 ( -11.947 2.046 -5.090) 13.146 6.587 ( 5.044 1.346 0.515) 5.246 6.787 ( 5.264 -1.973 5.333) 7.748 6.888 ( -2.695 -4.959 -2.660) 6.239 7.540 ( -0.838 -1.610 4.453) 4.809 8.329 ( 8.975 -4.033 0.611) 9.858 8.482 ( -2.463 -1.525 6.105) 6.757 8.675 ( 2.410 -11.616 -4.527) 12.697 8.877 ( -7.810 -5.118 -5.119) 10.649 9.466 ( 1.543 -0.565 -2.988) 3.410 9.632 ( -11.957 -0.426 -4.616) 12.824 10.098 ( -1.988 0.766 4.323) 4.820 10.289 ( 1.572 -1.999 -0.374) 2.570 10.316 ( -0.007 5.115 -4.887) 7.074 10.513 ( 11.921 2.902 8.535) 14.946 11.031 ( -0.182 -3.383 6.227) 7.089 11.432 ( -5.589 0.537 -3.398) 6.563 11.796 ( 3.476 -5.351 7.422) 9.788 12.037 ( 3.401 0.412 0.646) 3.487 12.419 ( 13.480 8.210 3.576) 16.184 13.104 ( 8.721 4.627 3.748) 10.560 13.421 ( 6.617 6.346 5.832) 10.866 13.623 ( 3.503 3.057 1.938) 5.037 14.028 ( -3.417 1.501 8.747) 9.510 14.713 ( -5.932 15.966 -6.015) 18.064 16.334 ( -9.431 -18.875 -9.978) 23.340 ======================= Grid point 30 (23/468) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -2.076 27.607 -2.148) 27.768 1.402 ( -8.311 26.663 -7.581) 28.939 2.806 ( -8.125 52.093 -8.981) 53.482 3.431 ( 1.772 -18.273 -0.753) 18.374 3.484 ( -5.597 -18.602 -1.943) 19.523 4.605 ( 3.377 7.718 2.227) 8.714 4.943 ( -1.565 5.650 -0.075) 5.864 4.979 ( -2.835 -2.150 -2.516) 4.358 5.245 ( -2.478 0.120 -4.042) 4.743 5.296 ( 1.516 -8.223 -2.376) 8.693 5.347 ( -5.613 -10.948 -1.830) 12.439 6.634 ( 2.609 6.219 0.617) 6.772 6.806 ( -4.668 -6.455 -3.297) 8.621 6.936 ( 3.635 -3.914 3.916) 6.624 7.693 ( 7.315 -1.220 8.357) 11.173 8.344 ( 2.258 11.894 1.781) 12.237 8.630 ( 0.839 -8.846 2.116) 9.134 8.735 ( -3.552 -9.862 -6.064) 12.110 8.897 ( 4.075 -21.085 3.440) 21.749 9.391 ( -7.795 -0.221 -1.124) 7.878 9.451 ( -4.677 -3.346 -10.045) 11.575 10.123 ( -0.320 7.136 5.961) 9.304 10.196 ( -0.031 7.144 -4.980) 8.708 10.339 ( 1.032 -7.499 0.061) 7.570 10.763 ( 12.317 2.427 9.756) 15.899 11.068 ( -3.953 -1.209 0.715) 4.195 11.258 ( -7.863 0.882 -9.024) 12.001 11.844 ( 0.641 14.194 1.126) 14.254 12.107 ( 0.629 -17.119 -0.050) 17.131 12.669 ( 12.197 2.346 10.498) 16.262 13.231 ( 12.759 10.207 8.315) 18.333 13.431 ( -3.000 3.698 2.496) 5.377 13.793 ( 15.633 7.355 8.753) 19.367 14.073 ( -3.090 1.963 7.174) 8.054 14.387 ( -7.451 15.524 -10.363) 20.097 16.197 ( -14.235 -17.695 -13.994) 26.675 ======================= Grid point 31 (24/468) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -0.000 29.649 -0.000) 29.649 1.051 ( -0.000 29.763 -0.000) 29.763 2.175 ( -0.000 61.844 -0.000) 61.844 3.598 ( 0.000 -19.716 0.000) 19.716 3.602 ( 0.000 -19.722 0.000) 19.722 4.538 ( -0.000 11.798 -0.000) 11.798 4.862 ( -0.000 10.919 -0.000) 10.919 4.869 ( -0.000 11.141 -0.000) 11.141 5.178 ( -0.000 2.123 -0.000) 2.123 5.456 ( 0.000 -19.559 0.000) 19.559 5.462 ( 0.000 -19.315 0.000) 19.315 6.564 ( -0.000 7.526 -0.000) 7.526 6.837 ( 0.000 -6.639 0.000) 6.639 7.025 ( 0.000 -4.443 0.000) 4.443 7.835 ( -0.000 0.569 -0.000) 0.569 8.315 ( -0.000 3.792 -0.000) 3.792 8.688 ( 0.000 -3.966 0.000) 3.966 8.691 ( 0.000 -3.852 0.000) 3.852 9.245 ( 0.000 -28.422 0.000) 28.422 9.326 ( 0.000 -2.580 0.000) 2.580 9.334 ( 0.000 -2.493 0.000) 2.493 10.084 ( -0.000 9.893 -0.000) 9.893 10.088 ( -0.000 9.892 -0.000) 9.892 10.432 ( 0.000 -8.976 0.000) 8.976 10.998 ( -0.000 1.786 -0.000) 1.786 11.023 ( -0.000 1.043 -0.000) 1.043 11.028 ( -0.000 1.132 -0.000) 1.132 11.703 ( -0.000 18.309 -0.000) 18.309 12.282 ( 0.000 -20.463 0.000) 20.463 12.804 ( 0.000 -0.376 0.000) 0.376 13.400 ( -0.000 2.341 -0.000) 2.341 13.404 ( -0.000 2.403 -0.000) 2.403 13.956 ( -0.000 21.976 -0.000) 21.976 14.083 ( -0.000 1.911 -0.000) 1.911 14.088 ( -0.000 1.916 -0.000) 1.916 16.039 ( 0.000 -7.815 0.000) 7.815 ======================= Grid point 36 (25/468) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -2.109 0.000 17.009) 17.139 2.422 ( 3.546 -0.000 2.714) 4.465 3.300 ( -5.304 0.000 0.141) 5.306 3.556 ( -8.609 0.000 -4.095) 9.533 3.762 ( 1.682 -0.000 -6.404) 6.621 4.182 ( -10.631 0.000 -4.485) 11.538 5.079 ( 6.650 -0.000 -7.066) 9.703 5.308 ( 20.451 -0.000 -13.282) 24.386 5.557 ( -5.783 0.000 2.540) 6.316 5.616 ( -0.695 0.000 15.875) 15.890 5.970 ( 0.134 -0.000 4.932) 4.933 6.571 ( 1.777 -0.000 3.658) 4.067 6.765 ( -1.527 0.000 -12.182) 12.278 6.783 ( 2.168 -0.000 2.616) 3.397 7.776 ( -7.225 0.000 -1.718) 7.426 7.854 ( -0.275 0.000 -9.727) 9.731 8.676 ( -2.782 0.000 -2.943) 4.050 8.729 ( -2.603 0.000 0.731) 2.703 9.063 ( 8.120 -0.000 1.147) 8.200 9.347 ( -7.453 0.000 8.131) 11.031 9.753 ( -3.941 0.000 0.014) 3.941 10.008 ( 3.667 -0.000 3.575) 5.121 10.250 ( 3.211 -0.000 -4.557) 5.575 10.406 ( 1.254 -0.000 -1.409) 1.886 10.463 ( -14.805 0.000 8.568) 17.106 10.750 ( 2.457 -0.000 0.661) 2.545 10.894 ( 4.775 -0.000 8.316) 9.589 11.638 ( -3.304 0.000 -2.467) 4.123 11.715 ( 6.016 -0.000 0.094) 6.017 12.542 ( 5.956 -0.000 -8.656) 10.507 12.754 ( 3.703 -0.000 -2.652) 4.555 13.327 ( 5.360 -0.000 -5.988) 8.036 13.665 ( 1.850 -0.000 3.906) 4.322 13.773 ( 1.139 -0.000 6.145) 6.250 14.832 ( -0.818 0.000 14.365) 14.388 16.715 ( -6.913 0.000 -10.798) 12.822 ======================= Grid point 37 (26/468) ======================= q-point: (-0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -3.293 3.698 10.004) 11.162 2.490 ( 3.796 -2.229 1.719) 4.726 3.148 ( -10.725 12.531 -5.898) 17.517 3.351 ( -9.893 -8.905 -6.175) 14.673 3.719 ( 2.753 -0.201 -6.228) 6.812 4.179 ( -7.070 -13.315 9.165) 17.642 5.029 ( 8.088 5.887 -10.387) 14.421 5.375 ( 14.642 -2.258 -13.669) 20.157 5.493 ( -3.562 7.330 2.621) 8.561 5.748 ( -7.525 -5.028 7.611) 11.825 6.009 ( -2.286 5.017 3.505) 6.533 6.542 ( -3.300 2.316 -10.327) 11.086 6.628 ( 2.119 1.435 2.077) 3.296 6.777 ( -2.281 2.122 -2.409) 3.938 7.683 ( -5.265 -2.010 -2.120) 6.021 7.786 ( 0.317 -9.581 -6.750) 11.724 8.600 ( -3.468 1.634 -1.622) 4.163 8.667 ( -4.889 -0.029 -1.588) 5.141 9.166 ( 6.792 2.285 -1.064) 7.244 9.370 ( -2.013 1.976 5.567) 6.241 9.742 ( -3.113 -4.198 2.444) 5.769 10.050 ( -3.156 -1.696 0.439) 3.609 10.252 ( 7.428 5.675 -0.952) 9.396 10.394 ( -5.542 2.276 4.975) 7.787 10.438 ( -2.046 -3.075 2.535) 4.480 10.772 ( -0.401 -1.464 0.619) 1.640 11.085 ( 4.162 -3.630 10.614) 11.965 11.654 ( 5.763 6.900 5.800) 10.699 11.788 ( 5.027 -3.310 -1.490) 6.200 12.495 ( 2.910 -0.555 -6.946) 7.552 12.821 ( 11.428 0.619 -1.093) 11.497 13.315 ( 8.125 0.312 -8.093) 11.472 13.714 ( -2.304 1.600 5.028) 5.757 13.877 ( -1.738 -0.384 10.038) 10.195 14.996 ( -0.080 0.319 11.797) 11.802 16.474 ( -8.145 -0.859 -12.771) 15.172 ======================= Grid point 38 (27/468) ======================= q-point: (-0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -2.638 10.151 2.781) 10.851 2.591 ( 3.259 8.271 1.260) 8.978 2.781 ( -10.476 -0.076 -9.373) 14.057 3.275 ( -10.177 -10.710 -2.493) 14.983 3.743 ( 7.838 0.279 0.537) 7.862 4.346 ( -8.905 -18.207 10.123) 22.655 4.920 ( 7.309 11.922 -11.666) 18.211 5.338 ( 3.288 4.721 -9.197) 10.849 5.423 ( 0.485 2.614 -3.681) 4.540 5.696 ( -11.826 -1.179 -1.245) 11.949 5.815 ( -9.269 14.349 -5.611) 17.980 6.460 ( -0.879 -9.693 -5.014) 10.948 6.704 ( 2.978 -1.238 2.908) 4.343 6.726 ( 2.016 2.913 3.363) 4.885 7.586 ( -6.760 0.452 -1.611) 6.964 7.869 ( 4.300 -15.928 -3.396) 16.844 8.527 ( -2.818 0.078 -1.910) 3.406 8.595 ( -4.586 -1.602 -1.187) 5.000 9.104 ( -1.779 9.853 -3.906) 10.747 9.437 ( 5.519 -0.248 1.590) 5.749 9.752 ( -7.559 -4.356 1.225) 8.809 9.991 ( -5.337 -5.256 -3.775) 8.388 10.333 ( 6.997 6.041 4.319) 10.203 10.372 ( -1.969 3.096 6.123) 7.138 10.466 ( 4.435 0.442 -3.808) 5.863 10.819 ( -1.405 -5.223 5.528) 7.733 11.316 ( 2.702 -5.336 11.471) 12.936 11.682 ( 1.902 4.130 -2.528) 5.202 11.929 ( 8.500 -0.046 7.949) 11.638 12.468 ( 4.949 1.442 -4.455) 6.813 12.986 ( 13.690 1.809 2.899) 14.110 13.357 ( 13.294 1.359 -4.054) 13.965 13.702 ( -4.798 2.465 3.124) 6.233 13.975 ( -4.653 0.326 11.995) 12.870 15.081 ( -0.910 6.044 5.486) 8.213 16.230 ( -9.348 -6.782 -13.051) 17.427 ======================= Grid point 39 (28/468) ======================= q-point: (-0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -1.686 16.494 -0.222) 16.581 2.249 ( -10.287 21.462 -9.777) 25.730 2.882 ( 5.956 -13.287 1.962) 14.693 3.211 ( -9.300 -10.506 -1.984) 14.171 3.883 ( 9.143 8.598 5.731) 13.798 4.509 ( -6.315 -18.093 5.472) 19.929 4.697 ( -0.250 13.375 -9.462) 16.385 5.182 ( -2.394 7.309 -7.405) 10.676 5.327 ( -6.012 2.456 -2.871) 7.100 5.478 ( -1.577 4.505 -11.158) 12.136 5.561 ( -10.827 5.214 -3.504) 12.518 6.488 ( -1.939 -14.657 -4.292) 15.395 6.784 ( 5.758 2.038 4.496) 7.584 6.835 ( 1.383 -0.217 4.209) 4.436 7.519 ( -1.449 -0.012 2.297) 2.716 8.066 ( 6.149 -19.294 0.511) 20.256 8.496 ( -1.094 -3.786 -1.633) 4.266 8.552 ( -3.755 -3.589 -0.701) 5.241 8.914 ( -4.186 11.772 -4.575) 13.305 9.489 ( 3.467 1.715 -3.004) 4.898 9.635 ( -11.173 0.336 -2.557) 11.467 9.978 ( -1.899 -11.671 -1.505) 11.920 10.326 ( -2.997 3.736 3.461) 5.909 10.397 ( 1.038 3.990 -4.370) 6.008 10.572 ( 13.413 4.012 7.508) 15.887 10.950 ( 0.436 -5.858 6.762) 8.957 11.428 ( -4.546 -0.628 0.151) 4.592 11.667 ( 2.459 -6.927 -1.860) 7.582 12.114 ( 4.097 5.887 9.410) 11.832 12.503 ( 9.321 2.262 0.438) 9.601 13.177 ( 13.068 3.786 4.325) 14.276 13.517 ( 7.610 4.605 7.113) 11.389 13.659 ( 5.333 1.332 -2.283) 5.952 14.054 ( -5.925 1.350 12.284) 13.705 14.979 ( -3.910 14.468 -3.059) 15.296 16.047 ( -10.288 -14.688 -11.530) 21.319 ======================= Grid point 40 (29/468) ======================= q-point: (-0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -1.062 22.653 -0.840) 22.693 1.839 ( -7.126 23.514 -6.577) 25.435 3.094 ( 6.038 -12.663 1.499) 14.109 3.195 ( -5.689 -13.235 -0.944) 14.436 3.729 ( -2.520 45.100 -2.264) 45.227 4.607 ( 7.936 -9.071 2.177) 12.247 4.727 ( -3.878 -21.355 3.536) 21.991 4.988 ( -4.924 5.172 -6.942) 9.959 5.223 ( -3.947 1.041 -0.065) 4.082 5.313 ( 2.205 5.303 -10.350) 11.837 5.347 ( -9.852 4.577 -2.197) 11.083 6.562 ( -1.227 -16.385 -2.209) 16.579 6.813 ( -1.207 8.165 -0.173) 8.256 6.897 ( 3.650 -0.336 3.836) 5.305 7.627 ( 4.614 -5.440 5.560) 9.044 8.364 ( 7.571 -21.350 4.423) 23.080 8.513 ( -1.115 -3.390 1.085) 3.730 8.556 ( -0.924 -9.050 -2.051) 9.325 8.702 ( -5.479 9.576 -4.462) 11.900 9.422 ( -2.317 2.856 -3.952) 5.399 9.454 ( -6.803 2.143 -5.241) 8.851 10.091 ( 1.373 -12.167 2.449) 12.487 10.295 ( -2.824 3.707 1.862) 5.018 10.309 ( 1.023 5.479 -4.284) 7.030 10.812 ( 12.064 3.292 9.535) 15.726 11.046 ( -0.682 -1.470 2.709) 3.156 11.281 ( -7.404 1.853 -7.811) 10.921 11.778 ( 0.437 -15.202 -0.013) 15.209 12.128 ( 1.322 13.058 2.035) 13.282 12.672 ( 7.799 -1.521 6.255) 10.113 13.351 ( 11.190 4.539 4.404) 12.853 13.495 ( -6.384 3.404 2.265) 7.581 13.887 ( 20.664 4.148 7.033) 22.219 14.110 ( -4.578 2.220 9.490) 10.768 14.685 ( -7.331 18.513 -8.770) 21.758 15.917 ( -10.150 -15.817 -9.909) 21.246 ======================= Grid point 41 (30/468) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.000 26.658 -0.000) 26.658 1.536 ( -0.000 26.602 -0.000) 26.602 3.200 ( -0.000 57.949 -0.000) 57.949 3.280 ( 0.000 -16.756 0.000) 16.756 3.284 ( 0.000 -16.756 0.000) 16.756 4.755 ( -0.000 13.179 -0.000) 13.179 4.889 ( 0.000 -14.136 0.000) 14.136 4.897 ( 0.000 -14.392 0.000) 14.392 5.207 ( -0.000 0.996 -0.000) 0.996 5.222 ( 0.000 -0.615 0.000) 0.615 5.228 ( 0.000 -1.034 0.000) 1.034 6.668 ( 0.000 -13.447 0.000) 13.447 6.719 ( -0.000 10.027 -0.000) 10.027 6.960 ( 0.000 -2.521 0.000) 2.521 7.772 ( 0.000 -7.232 0.000) 7.232 8.485 ( -0.000 15.758 -0.000) 15.758 8.577 ( 0.000 -8.039 0.000) 8.039 8.582 ( 0.000 -8.031 0.000) 8.031 8.734 ( 0.000 -30.573 0.000) 30.573 9.338 ( -0.000 3.009 -0.000) 3.009 9.346 ( -0.000 2.951 -0.000) 2.951 10.230 ( -0.000 7.109 -0.000) 7.109 10.233 ( -0.000 7.066 -0.000) 7.066 10.246 ( 0.000 -13.056 0.000) 13.056 11.040 ( -0.000 3.240 -0.000) 3.240 11.044 ( -0.000 1.413 -0.000) 1.413 11.050 ( -0.000 1.430 -0.000) 1.430 11.923 ( 0.000 -14.350 0.000) 14.350 12.022 ( -0.000 11.965 -0.000) 11.965 12.787 ( 0.000 -1.844 0.000) 1.844 13.440 ( -0.000 2.214 -0.000) 2.214 13.444 ( -0.000 2.232 -0.000) 2.232 14.120 ( -0.000 2.403 -0.000) 2.403 14.126 ( -0.000 2.367 -0.000) 2.367 14.334 ( -0.000 22.160 -0.000) 22.160 15.874 ( 0.000 -11.425 0.000) 11.425 ======================= Grid point 48 (31/468) ======================= q-point: ( 0.36 -0.64 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -3.076 0.000 4.784) 5.687 2.568 ( 6.772 -0.000 2.983) 7.400 2.912 ( -14.504 0.000 -15.805) 21.451 3.152 ( -7.850 0.000 2.531) 8.248 3.746 ( 8.721 -0.000 -2.734) 9.139 4.166 ( -10.567 0.000 13.709) 17.309 5.028 ( 11.377 -0.000 -12.286) 16.745 5.354 ( 9.720 -0.000 -12.851) 16.113 5.477 ( -3.561 0.000 -2.956) 4.628 5.672 ( -11.505 0.000 2.895) 11.863 6.000 ( -10.501 0.000 0.675) 10.523 6.315 ( -7.771 0.000 -13.330) 15.430 6.694 ( 2.490 -0.000 4.887) 5.485 6.768 ( 1.876 -0.000 1.126) 2.188 7.624 ( -0.916 0.000 -0.817) 1.228 7.682 ( 0.933 -0.000 -3.681) 3.797 8.541 ( -4.294 0.000 -1.610) 4.586 8.562 ( -5.231 0.000 -3.518) 6.304 9.254 ( 4.765 -0.000 -0.382) 4.780 9.391 ( 0.386 -0.000 -0.285) 0.480 9.705 ( -5.130 0.000 1.616) 5.378 9.947 ( -7.727 0.000 -3.731) 8.580 10.385 ( -3.163 0.000 3.864) 4.994 10.430 ( 11.252 -0.000 2.505) 11.528 10.446 ( 2.280 -0.000 0.505) 2.336 10.762 ( -2.869 0.000 4.023) 4.942 11.272 ( 3.236 -0.000 12.866) 13.266 11.720 ( 0.875 -0.000 -9.315) 9.356 11.927 ( 8.480 -0.000 13.553) 15.988 12.479 ( 4.835 -0.000 -3.109) 5.748 13.004 ( 15.462 -0.000 1.864) 15.574 13.368 ( 14.497 -0.000 -4.658) 15.227 13.724 ( -5.262 0.000 3.033) 6.073 13.978 ( -5.298 0.000 13.232) 14.253 15.132 ( 0.735 -0.000 8.050) 8.084 16.172 ( -10.861 0.000 -15.373) 18.822 ======================= Grid point 50 (32/468) ======================= q-point: (-0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -1.680 5.995 0.673) 6.263 2.496 ( -12.899 5.170 -12.847) 18.924 2.765 ( 10.073 0.215 5.030) 11.261 3.103 ( -7.360 -2.598 1.554) 7.958 3.883 ( 12.064 -2.912 2.572) 12.674 4.226 ( -10.248 -10.586 9.547) 17.557 4.984 ( 9.258 11.333 -10.619) 18.081 5.278 ( 1.967 3.076 -9.804) 10.462 5.373 ( -5.651 2.459 -2.439) 6.628 5.520 ( -10.407 0.908 -3.716) 11.088 5.724 ( -12.054 14.356 -5.818) 19.628 6.153 ( -9.020 -21.243 -9.825) 25.083 6.817 ( 4.569 1.065 6.723) 8.198 6.855 ( 5.896 1.385 4.823) 7.742 7.568 ( -0.526 6.413 0.367) 6.445 7.761 ( 2.885 -14.952 -0.504) 15.237 8.453 ( -3.175 -0.402 -2.974) 4.369 8.483 ( -4.722 -3.583 -2.708) 6.517 9.191 ( 0.549 17.334 -0.523) 17.351 9.460 ( 3.775 -7.536 -1.630) 8.585 9.629 ( -8.142 -0.784 -1.225) 8.271 9.800 ( -7.000 -6.109 -6.165) 11.151 10.371 ( -3.860 1.305 3.506) 5.376 10.445 ( 1.095 1.459 -3.659) 4.088 10.644 ( 16.899 3.583 3.796) 17.686 10.851 ( -1.560 -4.649 11.031) 12.072 11.419 ( -2.860 -0.349 6.713) 7.305 11.589 ( 0.085 -2.210 -11.285) 11.499 12.193 ( 6.321 2.731 14.489) 16.042 12.518 ( 6.309 0.021 -1.858) 6.577 13.224 ( 14.335 1.501 3.594) 14.854 13.570 ( 11.448 1.560 7.546) 13.799 13.674 ( 3.018 0.448 -3.893) 4.946 14.071 ( -6.851 0.546 14.036) 15.628 15.177 ( -0.363 7.316 1.636) 7.505 15.850 ( -12.959 -7.191 -15.300) 21.301 ======================= Grid point 51 (33/468) ======================= q-point: (-0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( -0.580 11.718 -0.271) 11.736 2.156 ( -7.696 12.153 -7.607) 16.272 2.950 ( 7.271 -2.830 3.507) 8.555 3.054 ( -4.855 -2.873 0.159) 5.644 4.148 ( 12.930 -4.059 7.778) 15.625 4.344 ( -4.827 -18.327 4.798) 19.550 4.709 ( -4.566 27.134 -10.826) 29.568 5.139 ( -0.561 10.635 -4.576) 11.591 5.223 ( -7.405 -0.778 -1.150) 7.534 5.386 ( -0.158 2.904 -5.567) 6.281 5.445 ( -7.893 6.451 -4.659) 11.208 6.184 ( -4.945 -27.083 -4.829) 27.951 6.922 ( 3.669 2.863 4.058) 6.175 6.947 ( 3.000 5.758 2.986) 7.146 7.561 ( 1.670 -0.412 2.188) 2.783 7.969 ( 3.365 -21.777 2.039) 22.129 8.416 ( -1.112 -4.385 -1.980) 4.938 8.437 ( -3.589 -5.336 -2.005) 6.736 9.017 ( -0.162 21.920 -0.255) 21.922 9.463 ( -0.239 1.344 -4.601) 4.799 9.493 ( -7.075 2.002 -2.865) 7.892 9.820 ( -0.900 -18.260 -0.617) 18.293 10.355 ( -1.856 2.574 1.991) 3.747 10.381 ( 0.055 2.883 -3.526) 4.555 10.874 ( 12.984 3.759 7.747) 15.580 11.013 ( 1.389 -2.425 7.397) 7.907 11.324 ( -6.708 3.353 -6.467) 9.903 11.550 ( -1.974 -11.007 -3.517) 11.722 12.334 ( 3.621 10.533 5.421) 12.387 12.622 ( 5.726 -4.256 3.606) 7.994 13.403 ( 9.722 1.870 2.517) 10.215 13.539 ( -7.955 1.709 1.065) 8.206 13.942 ( 22.491 2.251 6.450) 23.505 14.142 ( -5.066 1.445 10.379) 11.639 15.000 ( -5.409 17.895 -6.083) 19.659 15.647 ( -9.570 -15.774 -9.376) 20.696 ======================= Grid point 52 (34/468) ======================= q-point: (-0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -0.000 18.422 -0.000) 18.422 1.929 ( -0.000 18.282 -0.000) 18.282 3.062 ( 0.000 -7.693 0.000) 7.693 3.066 ( 0.000 -7.729 0.000) 7.729 4.135 ( -0.000 50.673 -0.000) 50.673 4.526 ( 0.000 -22.831 0.000) 22.831 4.532 ( 0.000 -22.897 0.000) 22.897 4.983 ( -0.000 13.936 -0.000) 13.936 5.200 ( 0.000 -2.232 0.000) 2.232 5.305 ( -0.000 5.872 -0.000) 5.872 5.309 ( -0.000 5.871 -0.000) 5.871 6.348 ( 0.000 -24.043 0.000) 24.043 6.904 ( -0.000 10.517 -0.000) 10.517 6.952 ( -0.000 1.638 -0.000) 1.638 7.635 ( 0.000 -7.158 0.000) 7.158 8.232 ( 0.000 -27.505 0.000) 27.505 8.445 ( 0.000 -6.736 0.000) 6.736 8.449 ( 0.000 -6.827 0.000) 6.827 8.819 ( -0.000 22.432 -0.000) 22.432 9.397 ( -0.000 3.268 -0.000) 3.268 9.403 ( -0.000 3.147 -0.000) 3.147 9.981 ( 0.000 -18.147 0.000) 18.147 10.326 ( -0.000 4.188 -0.000) 4.188 10.328 ( -0.000 4.117 -0.000) 4.117 11.068 ( -0.000 1.296 -0.000) 1.296 11.073 ( -0.000 1.186 -0.000) 1.186 11.112 ( -0.000 5.295 -0.000) 5.295 11.632 ( 0.000 -15.922 0.000) 15.922 12.275 ( -0.000 13.920 -0.000) 13.920 12.736 ( 0.000 -4.241 0.000) 4.241 13.472 ( -0.000 1.465 -0.000) 1.465 13.476 ( -0.000 1.446 -0.000) 1.446 14.160 ( -0.000 2.053 -0.000) 2.053 14.164 ( -0.000 1.998 -0.000) 1.998 14.706 ( -0.000 21.324 -0.000) 21.324 15.651 ( 0.000 -14.684 0.000) 14.684 ======================= Grid point 61 (35/468) ======================= q-point: ( 0.45 -0.55 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -0.777 0.000 -0.616) 0.992 2.250 ( -7.844 0.000 -7.908) 11.138 2.951 ( 7.942 -0.000 4.220) 8.993 3.050 ( -3.986 0.000 1.590) 4.291 4.053 ( 11.309 -0.000 3.143) 11.737 4.165 ( -5.587 0.000 4.785) 7.356 5.036 ( 4.537 -0.000 -5.432) 7.078 5.143 ( -8.773 0.000 -6.325) 10.815 5.346 ( -0.535 0.000 2.147) 2.213 5.400 ( -1.038 0.000 -3.071) 3.241 5.640 ( -9.684 0.000 -1.783) 9.847 5.733 ( -8.341 0.000 -13.243) 15.651 6.967 ( 3.788 -0.000 5.802) 6.929 6.981 ( 4.689 -0.000 2.980) 5.556 7.658 ( 1.081 -0.000 1.786) 2.087 7.673 ( 1.009 -0.000 -0.321) 1.059 8.382 ( -2.168 0.000 -2.211) 3.097 8.385 ( -2.660 0.000 -2.151) 3.421 9.348 ( 1.125 -0.000 3.944) 4.102 9.408 ( 4.623 -0.000 -3.020) 5.522 9.515 ( -7.269 0.000 -0.815) 7.315 9.586 ( -6.248 0.000 -7.950) 10.112 10.377 ( -1.640 0.000 1.900) 2.510 10.406 ( -0.266 0.000 -3.398) 3.409 10.921 ( 17.923 -0.000 1.881) 18.021 10.978 ( -2.145 0.000 14.929) 15.083 11.395 ( -9.707 0.000 1.938) 9.898 11.413 ( 0.221 -0.000 -13.171) 13.172 12.454 ( 5.698 -0.000 10.874) 12.277 12.555 ( 3.776 -0.000 -1.574) 4.091 13.419 ( 9.172 -0.000 2.017) 9.391 13.553 ( -8.267 0.000 0.505) 8.282 13.962 ( 22.785 -0.000 6.378) 23.660 14.155 ( -5.123 0.000 10.559) 11.737 15.226 ( 0.185 -0.000 -0.415) 0.455 15.439 ( -14.350 0.000 -14.035) 20.072 ======================= Grid point 63 (36/468) ======================= q-point: (-0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -0.000 5.134 -0.000) 5.134 2.127 ( -0.000 5.052 -0.000) 5.052 3.024 ( -0.000 1.373 -0.000) 1.373 3.027 ( -0.000 1.346 -0.000) 1.346 4.211 ( 0.000 -11.338 0.000) 11.338 4.214 ( 0.000 -11.676 0.000) 11.676 4.847 ( -0.000 28.296 -0.000) 28.296 5.117 ( 0.000 -8.090 0.000) 8.090 5.295 ( -0.000 26.464 -0.000) 26.464 5.378 ( -0.000 2.281 -0.000) 2.281 5.381 ( -0.000 2.270 -0.000) 2.270 5.851 ( 0.000 -33.422 0.000) 33.422 7.004 ( -0.000 3.776 -0.000) 3.776 7.030 ( -0.000 2.665 -0.000) 2.665 7.599 ( -0.000 5.121 -0.000) 5.121 7.822 ( 0.000 -19.699 0.000) 19.699 8.364 ( 0.000 -2.497 0.000) 2.497 8.365 ( 0.000 -2.631 0.000) 2.631 9.225 ( -0.000 24.417 -0.000) 24.417 9.437 ( -0.000 1.269 -0.000) 1.269 9.442 ( -0.000 1.191 -0.000) 1.191 9.630 ( 0.000 -22.598 0.000) 22.598 10.373 ( -0.000 1.387 -0.000) 1.387 10.374 ( -0.000 1.330 -0.000) 1.330 11.085 ( -0.000 0.583 -0.000) 0.583 11.087 ( -0.000 0.406 -0.000) 0.406 11.225 ( -0.000 8.137 -0.000) 8.137 11.394 ( 0.000 -11.857 0.000) 11.857 12.485 ( -0.000 10.653 -0.000) 10.653 12.638 ( 0.000 -7.295 0.000) 7.295 13.489 ( -0.000 0.497 -0.000) 0.497 13.493 ( -0.000 0.486 -0.000) 0.486 14.185 ( -0.000 0.811 -0.000) 0.811 14.189 ( -0.000 0.785 -0.000) 0.785 15.058 ( -0.000 19.731 -0.000) 19.731 15.376 ( 0.000 -17.486 0.000) 17.486 ======================= Grid point 125 (37/468) ======================= q-point: ( 0.00 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( 27.578 -0.000 26.858) 38.495 0.593 ( -0.439 0.000 30.106) 30.110 1.001 ( -12.288 0.000 48.848) 50.370 4.141 ( -4.657 0.000 0.306) 4.667 4.260 ( 0.589 -0.000 -3.838) 3.883 4.417 ( 2.933 -0.000 -4.648) 5.496 4.516 ( -3.484 0.000 4.882) 5.998 5.061 ( 0.968 -0.000 11.003) 11.046 5.196 ( -0.305 0.000 6.399) 6.406 5.575 ( -0.236 0.000 -15.575) 15.577 5.885 ( -1.177 0.000 2.626) 2.878 6.095 ( 0.467 -0.000 9.880) 9.891 6.923 ( 1.373 -0.000 -2.372) 2.741 7.020 ( 1.405 -0.000 -8.737) 8.849 7.538 ( -0.088 0.000 4.337) 4.338 7.770 ( -0.684 0.000 2.130) 2.238 8.695 ( 3.650 -0.000 0.288) 3.662 9.108 ( 1.809 -0.000 5.807) 6.082 9.474 ( -7.489 0.000 -10.392) 12.809 9.610 ( 5.985 -0.000 3.160) 6.768 9.724 ( -17.905 0.000 -1.525) 17.970 9.902 ( 9.149 -0.000 5.177) 10.512 10.398 ( 0.931 -0.000 -15.344) 15.373 10.641 ( 2.625 -0.000 -6.178) 6.712 10.862 ( 4.772 -0.000 -1.667) 5.055 10.974 ( -5.391 0.000 -16.049) 16.931 11.091 ( -14.655 0.000 7.422) 16.428 11.304 ( 11.133 -0.000 1.045) 11.182 11.402 ( 6.353 -0.000 23.187) 24.042 12.771 ( -1.634 0.000 -4.937) 5.200 12.841 ( 2.417 -0.000 2.809) 3.706 13.271 ( 0.349 -0.000 -10.748) 10.753 13.388 ( -3.324 0.000 3.660) 4.945 14.053 ( -0.693 0.000 -0.143) 0.707 14.104 ( 0.737 -0.000 4.167) 4.232 17.343 ( 1.179 -0.000 -5.023) 5.159 ======================= Grid point 126 (38/468) ======================= q-point: ( 0.09 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 3.545 0.524 29.468) 29.686 1.080 ( 6.983 -7.326 27.418) 29.226 1.763 ( 24.024 -22.453 34.312) 47.525 4.074 ( 2.309 9.111 -3.356) 9.981 4.155 ( -0.705 14.961 -2.783) 15.234 4.414 ( -2.626 -7.768 -1.914) 8.421 4.568 ( 4.958 -3.689 2.219) 6.566 5.167 ( -4.117 3.052 13.926) 14.839 5.317 ( 3.185 1.718 8.166) 8.932 5.367 ( -2.025 -0.899 -10.565) 10.795 5.837 ( -4.776 7.493 1.711) 9.049 6.298 ( 2.161 -12.721 2.970) 13.241 6.879 ( -3.645 -1.270 -8.886) 9.688 6.908 ( 1.421 0.463 -2.483) 2.898 7.606 ( 2.548 4.859 5.769) 7.961 7.857 ( 0.795 -11.365 2.666) 11.701 8.803 ( 8.774 1.099 0.435) 8.853 9.098 ( -10.648 3.427 4.353) 12.004 9.152 ( -12.320 4.952 -13.078) 18.637 9.595 ( 1.357 -8.196 -6.060) 10.283 9.704 ( 4.481 6.206 6.166) 9.830 10.015 ( 3.348 8.966 4.819) 10.715 10.268 ( 5.129 3.628 -5.739) 8.509 10.447 ( 0.104 10.151 -6.241) 11.916 10.720 ( -21.264 2.676 6.551) 22.411 10.890 ( -0.583 -14.501 -18.004) 23.125 11.168 ( 9.209 -1.440 -0.201) 9.323 11.489 ( -0.166 -22.569 -4.275) 22.971 11.798 ( 9.317 -0.730 22.669) 24.520 12.591 ( -6.979 8.607 -7.261) 13.248 12.923 ( 5.048 1.285 2.175) 5.645 13.141 ( -4.158 -9.204 -11.985) 15.673 13.386 ( -2.593 -0.909 2.536) 3.739 13.995 ( -4.968 -1.166 -2.265) 5.583 14.236 ( 6.184 -2.848 5.855) 8.980 17.219 ( 2.294 14.072 -4.625) 14.989 ======================= Grid point 127 (39/468) ======================= q-point: ( 0.18 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -2.902 -2.673 28.955) 29.223 1.583 ( 11.893 -8.622 21.444) 25.993 2.649 ( 25.431 -23.546 23.424) 41.831 3.853 ( -9.573 15.677 -4.309) 18.867 4.058 ( 8.674 13.018 -2.780) 15.888 4.453 ( 1.072 -7.258 -1.402) 7.469 4.709 ( 8.866 -4.715 -1.124) 10.104 5.070 ( -6.172 2.078 -7.510) 9.941 5.388 ( -3.064 -7.841 9.758) 12.887 5.503 ( 3.416 5.156 11.080) 12.690 5.722 ( -0.613 9.206 1.184) 9.302 6.381 ( -1.293 -5.447 -2.554) 6.153 6.786 ( -2.245 -4.438 -3.966) 6.362 6.898 ( 0.735 -1.374 -1.664) 2.279 7.679 ( 4.930 7.445 6.992) 11.341 8.013 ( 1.728 -11.051 3.495) 11.718 8.704 ( -3.953 11.518 -12.407) 17.384 8.933 ( -0.055 -0.620 -4.079) 4.126 9.006 ( -9.533 -1.209 3.725) 10.306 9.683 ( 8.356 -8.033 -3.422) 12.085 9.767 ( 3.868 8.045 4.817) 10.144 9.995 ( 1.917 11.874 3.776) 12.607 10.235 ( -7.593 0.812 -4.371) 8.798 10.334 ( 4.188 -1.650 -3.028) 5.425 10.553 ( -16.512 -0.368 5.328) 17.354 10.762 ( -1.498 -4.271 -11.024) 11.917 11.252 ( 5.047 -0.186 -2.209) 5.513 11.569 ( -5.380 -16.922 -3.412) 18.082 12.135 ( 2.170 7.052 11.440) 13.613 12.359 ( -2.154 3.428 0.229) 4.054 12.892 ( -1.675 -1.246 -11.859) 12.041 13.113 ( 1.577 -6.195 0.528) 6.415 13.412 ( 1.620 -2.023 0.605) 2.661 13.907 ( -5.304 -2.975 -4.025) 7.293 14.433 ( 6.327 -5.665 6.924) 10.957 17.059 ( 2.041 13.596 -6.428) 15.177 ======================= Grid point 128 (40/468) ======================= q-point: ( 0.27 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -3.873 -3.261 25.564) 26.061 2.024 ( 10.326 -7.284 14.932) 19.561 3.270 ( 8.900 -9.291 6.684) 14.499 3.595 ( -4.113 5.556 2.745) 7.438 4.043 ( 9.192 8.112 -3.060) 12.635 4.508 ( 3.803 -2.002 -1.698) 4.621 4.802 ( 6.918 1.907 -2.582) 7.626 4.956 ( -0.854 -11.937 -7.375) 14.057 5.470 ( 0.302 14.847 1.727) 14.950 5.533 ( -4.416 -5.964 8.937) 11.616 5.815 ( 5.185 -0.864 7.773) 9.383 6.353 ( -0.723 -2.888 -3.040) 4.255 6.737 ( -0.998 2.618 -4.087) 4.955 6.908 ( -1.219 -3.275 -0.473) 3.526 7.764 ( 5.321 4.072 3.769) 7.688 8.156 ( -0.177 -9.014 3.685) 9.740 8.472 ( 1.461 9.014 -4.969) 10.396 8.863 ( -4.536 -0.084 -2.506) 5.183 8.984 ( -0.857 -0.829 0.748) 1.407 9.737 ( -5.222 9.699 1.831) 11.167 9.811 ( 5.693 -6.240 -0.693) 8.475 9.968 ( -4.067 0.667 -0.481) 4.150 10.104 ( 3.746 4.674 -1.851) 6.270 10.389 ( 0.650 -0.140 0.618) 0.908 10.427 ( -8.952 -3.566 0.501) 9.649 10.696 ( -0.443 -0.425 -0.573) 0.840 11.246 ( -3.044 -0.860 -0.759) 3.253 11.569 ( -3.515 -8.471 -5.418) 10.652 11.933 ( -10.398 11.237 -4.117) 15.853 12.576 ( 8.048 -1.939 11.169) 13.902 12.714 ( -5.776 -2.447 -9.036) 11.000 13.194 ( 4.123 -3.348 -1.747) 5.591 13.477 ( 3.909 -1.911 1.436) 4.582 13.823 ( -3.926 -3.749 -4.326) 6.941 14.650 ( 5.391 -6.468 7.184) 11.069 16.883 ( 1.822 11.362 -8.226) 14.145 ======================= Grid point 129 (41/468) ======================= q-point: ( 0.36 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -6.426 0.665 19.341) 20.391 2.317 ( 6.043 -5.338 6.873) 10.595 3.163 ( -6.441 11.946 -1.689) 13.676 3.744 ( 1.917 -8.962 0.524) 9.180 4.070 ( 4.144 0.659 -0.840) 4.279 4.535 ( 4.159 2.312 -1.437) 4.970 4.857 ( 3.121 -8.454 -0.177) 9.013 5.052 ( 10.691 -11.813 -6.246) 17.113 5.354 ( 0.519 16.383 0.056) 16.391 5.619 ( -4.380 -4.350 5.755) 8.440 5.944 ( 2.603 0.435 4.035) 4.822 6.366 ( 1.239 -3.660 -0.225) 3.871 6.620 ( 0.000 5.361 -6.179) 8.180 6.871 ( -2.436 2.697 -2.850) 4.618 7.844 ( 4.340 -4.222 -0.274) 6.061 8.269 ( -2.357 -9.846 4.836) 11.219 8.435 ( 3.842 10.110 3.112) 11.254 8.756 ( -4.413 1.739 -4.166) 6.313 9.034 ( 3.734 -2.976 1.829) 5.113 9.545 ( -14.019 8.559 2.015) 16.548 9.871 ( -3.527 -0.402 -0.139) 3.552 9.938 ( 6.727 -5.289 -3.941) 9.422 10.140 ( 7.595 5.919 -1.631) 9.766 10.326 ( -7.633 -4.873 0.584) 9.075 10.468 ( 2.335 3.929 5.676) 7.288 10.724 ( 0.352 -1.613 2.736) 3.195 11.202 ( -6.664 -1.641 2.907) 7.454 11.466 ( -2.196 3.072 -7.882) 8.740 11.733 ( -5.857 1.757 -1.375) 6.268 12.569 ( -1.609 -3.379 -8.572) 9.353 12.784 ( -0.357 -1.463 9.514) 9.632 13.220 ( 4.296 -1.993 -5.826) 7.508 13.567 ( 3.359 -1.255 2.840) 4.574 13.779 ( -0.823 -2.090 -1.442) 2.669 14.835 ( 3.474 -3.064 5.995) 7.576 16.722 ( 2.507 6.374 -8.833) 11.178 ======================= Grid point 130 (42/468) ======================= q-point: (-0.55 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -10.246 8.434 8.356) 15.683 2.428 ( -0.557 0.137 0.353) 0.673 3.044 ( -2.735 3.071 4.395) 6.019 3.753 ( 0.815 -3.257 -7.721) 8.419 4.090 ( -2.729 -5.867 -0.848) 6.526 4.539 ( 1.406 0.241 -1.883) 2.362 5.021 ( 3.166 -14.572 3.128) 15.236 5.148 ( 5.878 16.918 -4.629) 18.498 5.236 ( 2.869 -5.699 -4.621) 7.878 5.629 ( -4.725 2.104 2.834) 5.898 5.975 ( -0.117 2.195 0.246) 2.211 6.406 ( 0.072 -1.220 1.204) 1.716 6.566 ( 6.151 -0.926 -3.891) 7.337 6.755 ( -2.662 3.216 -4.654) 6.252 7.917 ( 0.563 -6.252 -1.580) 6.473 8.360 ( -6.934 -8.943 2.121) 11.513 8.416 ( 1.364 9.035 3.279) 9.708 8.659 ( 0.863 1.180 -3.546) 3.836 9.155 ( 5.610 -4.401 2.368) 7.514 9.341 ( -11.341 8.118 2.846) 14.234 9.848 ( -0.281 -0.454 1.079) 1.204 10.024 ( 6.478 -2.528 -2.036) 7.246 10.144 ( 4.320 4.304 -1.574) 6.298 10.293 ( -5.529 -3.806 0.337) 6.721 10.508 ( -1.330 5.545 5.085) 7.641 10.789 ( 0.244 -0.400 5.299) 5.320 11.156 ( -1.848 6.577 0.873) 6.887 11.415 ( -0.083 -5.430 5.007) 7.387 11.680 ( 0.273 -0.863 -2.457) 2.618 12.507 ( 0.527 -3.510 -5.871) 6.860 12.836 ( -5.282 -2.514 2.886) 6.523 13.199 ( 4.948 -0.866 -8.631) 9.986 13.639 ( 0.487 -0.500 3.620) 3.687 13.808 ( 1.903 1.378 4.039) 4.673 14.912 ( 0.581 4.868 2.627) 5.562 16.638 ( 3.968 -2.158 -7.594) 8.836 ======================= Grid point 131 (43/468) ======================= q-point: (-0.45 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -12.930 14.517 1.475) 19.496 2.284 ( -9.383 8.757 -6.346) 14.318 3.156 ( 2.526 -7.808 8.060) 11.503 3.641 ( -1.923 2.433 -11.123) 11.547 4.090 ( -5.412 -11.208 -2.655) 12.726 4.515 ( -1.753 -3.559 -3.530) 5.311 4.931 ( 1.959 18.576 -6.842) 19.892 5.224 ( -5.748 -16.501 4.277) 17.989 5.277 ( 9.620 1.876 -2.617) 10.145 5.539 ( -8.120 4.345 0.882) 9.251 5.909 ( -3.353 3.845 -3.089) 5.964 6.434 ( 1.561 1.862 1.649) 2.937 6.644 ( 8.252 -3.699 -3.780) 9.801 6.685 ( -0.258 -1.353 -0.847) 1.617 7.902 ( -6.191 -2.514 -1.292) 6.805 8.270 ( -5.266 1.274 -3.294) 6.341 8.443 ( -0.019 -1.414 2.205) 2.620 8.685 ( 4.314 -4.785 -1.169) 6.548 9.187 ( -8.363 7.068 2.421) 11.214 9.310 ( 7.533 -7.694 1.162) 10.830 9.888 ( 1.809 3.312 3.585) 5.205 10.063 ( 2.403 2.217 -1.573) 3.628 10.167 ( 6.169 -0.048 -1.291) 6.303 10.245 ( -6.561 -1.786 -0.113) 6.801 10.493 ( -4.825 1.114 4.516) 6.702 10.844 ( -0.522 3.893 7.195) 8.197 11.150 ( 9.048 10.533 3.905) 14.424 11.609 ( 2.503 -5.667 8.575) 10.579 11.693 ( 1.102 -7.095 1.158) 7.273 12.450 ( 0.630 -1.379 -10.102) 10.215 12.831 ( -3.343 -3.104 4.301) 6.270 13.143 ( 5.479 0.241 -10.962) 12.257 13.678 ( -2.716 0.749 4.756) 5.527 13.884 ( 1.738 3.528 7.204) 8.207 14.828 ( -2.060 12.689 -1.889) 12.993 16.670 ( 4.730 -10.884 -5.440) 13.055 ======================= Grid point 132 (44/468) ======================= q-point: (-0.36 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -15.082 18.579 0.072) 23.930 1.926 ( -15.840 12.535 -10.035) 22.555 3.249 ( -6.120 18.016 -11.270) 22.115 3.456 ( -1.682 -15.272 1.597) 15.447 4.076 ( -8.013 -15.318 -4.334) 17.822 4.498 ( -1.647 -7.935 -2.852) 8.591 4.768 ( 6.410 13.828 -5.059) 16.060 5.198 ( -0.214 3.357 -2.406) 4.135 5.392 ( -10.227 0.809 -0.623) 10.278 5.438 ( -1.775 -7.754 5.965) 9.943 5.762 ( -6.419 2.634 -4.319) 8.173 6.458 ( 1.044 2.268 3.242) 4.093 6.712 ( 4.001 -5.585 -2.116) 7.188 6.736 ( 9.401 4.917 -1.005) 10.657 7.789 ( -11.199 -2.056 -1.366) 11.468 8.177 ( -1.165 5.253 -1.444) 5.571 8.520 ( 4.376 -5.407 2.735) 7.474 8.788 ( 4.615 -10.476 -2.384) 11.693 9.073 ( -7.565 2.894 2.908) 8.606 9.504 ( 8.881 -11.440 -0.321) 14.487 9.849 ( -1.224 9.674 -1.856) 9.927 10.073 ( 4.295 1.982 -0.744) 4.788 10.135 ( -7.888 0.282 -0.520) 7.910 10.267 ( 3.108 -1.503 3.540) 4.944 10.478 ( -4.788 -2.074 2.439) 5.760 10.944 ( 3.171 3.705 11.299) 12.306 11.271 ( 16.910 15.671 6.467) 23.944 11.656 ( -0.967 1.092 0.719) 1.627 11.891 ( -0.599 -12.961 3.956) 13.564 12.302 ( -1.711 -0.541 -8.947) 9.125 12.934 ( 3.676 -1.839 5.928) 7.213 13.075 ( 7.218 2.578 -9.054) 11.863 13.669 ( -5.878 1.355 3.716) 7.085 13.962 ( 0.605 4.105 8.025) 9.034 14.622 ( -3.489 15.470 -5.157) 16.676 16.783 ( 3.304 -16.595 -4.384) 17.479 ======================= Grid point 133 (45/468) ======================= q-point: (-0.27 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -17.364 21.118 3.293) 27.538 1.449 ( -20.266 14.982 -10.525) 27.312 2.608 ( -24.443 30.528 -19.073) 43.511 3.696 ( 3.825 -20.698 2.703) 21.221 4.054 ( -7.779 -16.936 -4.608) 19.199 4.501 ( -3.212 -2.263 -0.841) 4.018 4.706 ( 7.823 10.596 -4.821) 14.025 5.173 ( -4.798 1.015 3.218) 5.866 5.254 ( -1.719 0.248 -2.666) 3.182 5.416 ( -9.247 3.360 -1.022) 9.892 5.714 ( -3.464 -11.635 0.723) 12.162 6.488 ( -0.020 5.544 3.895) 6.776 6.788 ( 10.630 4.040 -0.948) 11.411 6.813 ( 6.188 -1.522 0.998) 6.450 7.658 ( -8.810 -1.982 -0.986) 9.084 8.088 ( -0.592 11.117 -0.233) 11.135 8.680 ( 5.176 -2.927 2.538) 6.465 8.924 ( 6.611 -12.195 -1.471) 13.949 9.056 ( -5.809 -9.598 5.465) 12.479 9.663 ( 2.590 0.034 -6.656) 7.142 9.722 ( -4.312 -7.790 1.577) 9.042 10.027 ( -4.592 4.498 -1.012) 6.508 10.084 ( 7.867 2.460 -5.831) 10.097 10.336 ( -2.766 -2.201 3.428) 4.924 10.535 ( 1.302 -2.426 9.260) 9.661 11.089 ( 4.072 2.570 6.911) 8.423 11.426 ( 10.106 12.903 4.202) 16.920 11.632 ( 9.501 12.938 1.209) 16.097 11.808 ( -9.608 1.855 -9.061) 13.337 12.362 ( 2.862 -11.805 5.322) 13.262 12.955 ( 2.239 2.345 -5.717) 6.572 13.168 ( 11.860 4.461 6.046) 14.040 13.604 ( -6.773 1.950 0.918) 7.108 14.025 ( -0.131 3.192 6.303) 7.066 14.377 ( -4.451 13.005 -5.808) 14.922 16.905 ( -1.169 -21.167 -4.729) 21.720 ======================= Grid point 134 (46/468) ======================= q-point: (-0.18 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -20.702 20.675 12.701) 31.895 0.925 ( -23.351 16.621 -7.014) 29.508 1.719 ( -34.261 37.744 -15.289) 53.218 3.924 ( 2.037 -20.510 -1.896) 20.698 4.087 ( -2.940 -18.191 -1.520) 18.489 4.442 ( -4.875 0.150 -0.719) 4.930 4.619 ( 3.012 13.410 -2.537) 13.977 5.003 ( -19.503 -0.046 1.056) 19.531 5.243 ( -6.574 1.772 -1.227) 6.918 5.440 ( 15.229 -4.847 3.216) 16.302 5.787 ( -2.581 -12.020 -0.938) 12.330 6.428 ( 0.568 15.821 1.000) 15.863 6.886 ( 4.297 -1.756 0.576) 4.677 6.940 ( 9.034 -0.967 2.693) 9.476 7.602 ( 0.579 1.812 0.289) 1.924 7.972 ( 0.867 16.098 0.368) 16.125 8.717 ( 0.027 1.488 0.385) 1.537 9.045 ( -4.469 -7.281 3.909) 9.395 9.283 ( 6.971 -20.595 3.280) 21.989 9.529 ( -3.638 -0.656 -4.504) 5.827 9.785 ( -4.861 -9.201 -2.119) 10.619 9.905 ( 0.957 6.173 -5.897) 8.591 10.129 ( 0.109 -10.166 -0.930) 10.209 10.377 ( 3.223 -0.173 3.691) 4.903 10.740 ( 3.752 -2.795 12.510) 13.356 11.146 ( -1.470 -1.160 -3.156) 3.670 11.260 ( -1.022 5.794 -15.102) 16.207 11.558 ( -16.714 7.094 3.584) 18.508 11.821 ( 38.358 43.314 11.447) 58.979 12.577 ( 3.531 -15.240 2.269) 15.807 12.888 ( -0.037 4.657 -1.802) 4.994 13.333 ( 9.986 7.549 4.969) 13.469 13.494 ( -3.094 4.330 -4.524) 6.985 14.054 ( -0.100 1.036 0.859) 1.350 14.174 ( -5.463 7.151 -1.327) 9.096 16.987 ( -11.472 -29.653 -4.023) 32.048 ======================= Grid point 135 (47/468) ======================= q-point: (-0.09 0.00 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( -25.922 14.750 -2.591) 29.938 0.555 ( -23.286 18.536 13.927) 32.860 0.911 ( -31.887 37.902 25.068) 55.513 4.089 ( 0.892 -13.758 5.337) 14.784 4.228 ( 1.552 -16.988 -2.690) 17.270 4.399 ( -4.746 -8.349 1.721) 9.756 4.533 ( 0.085 11.573 2.525) 11.846 4.799 ( -23.241 -14.294 8.915) 28.704 5.172 ( -4.320 0.745 2.902) 5.257 5.690 ( 14.931 -1.666 -6.302) 16.292 5.823 ( -0.148 -6.630 -0.957) 6.700 6.269 ( 4.593 30.097 -3.002) 30.593 6.927 ( 0.967 -1.385 -0.979) 1.952 7.051 ( 5.561 -0.931 -3.981) 6.902 7.605 ( 9.128 11.595 -5.864) 15.879 7.841 ( 1.965 18.873 -1.105) 19.007 8.738 ( -2.956 0.360 4.993) 5.814 9.006 ( -7.121 -6.505 -3.835) 10.379 9.454 ( 8.245 -10.644 -4.928) 14.337 9.577 ( -3.528 -7.038 3.443) 8.593 9.732 ( 5.587 8.196 -0.031) 9.919 9.886 ( -5.240 -6.858 4.157) 9.580 10.244 ( -18.095 -39.438 12.559) 45.172 10.507 ( 7.245 -2.345 -1.780) 7.821 10.805 ( 4.473 -0.104 -16.165) 16.773 11.076 ( 1.634 -1.839 14.236) 14.447 11.194 ( -1.548 2.085 1.020) 2.790 11.332 ( -15.549 9.475 4.515) 18.760 11.876 ( 47.159 87.479 -27.089) 103.006 12.731 ( 3.258 -12.062 -3.741) 13.042 12.839 ( -2.351 3.003 1.867) 4.246 13.352 ( -0.027 1.761 -4.898) 5.205 13.391 ( 6.936 11.003 -1.301) 13.071 14.035 ( 1.415 0.210 -1.642) 2.178 14.104 ( -4.833 1.241 4.043) 6.422 17.107 ( -21.191 -48.169 12.449) 54.076 ======================= Grid point 137 (48/468) ======================= q-point: ( 0.09 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -5.554 0.000 31.465) 31.952 1.498 ( 12.950 -0.000 23.740) 27.042 2.426 ( 30.643 -0.000 26.062) 40.227 4.018 ( -3.608 0.000 -6.041) 7.036 4.178 ( -11.606 0.000 -5.409) 12.805 4.365 ( 15.982 -0.000 -2.157) 16.127 4.649 ( 6.838 -0.000 -0.022) 6.838 5.158 ( -3.749 0.000 -11.620) 12.210 5.267 ( -5.397 0.000 11.092) 12.336 5.543 ( 4.108 -0.000 14.909) 15.465 5.826 ( -4.675 0.000 0.537) 4.705 6.329 ( 2.288 -0.000 2.801) 3.617 6.704 ( -3.993 0.000 -6.869) 7.945 6.905 ( 2.584 -0.000 -2.846) 3.844 7.808 ( 6.156 -0.000 8.884) 10.809 7.853 ( 1.124 -0.000 3.833) 3.994 8.844 ( -5.016 0.000 -19.296) 19.937 8.903 ( 4.578 -0.000 -2.403) 5.170 8.979 ( -15.489 0.000 6.938) 16.972 9.609 ( 10.850 -0.000 -1.896) 11.014 9.837 ( 0.470 -0.000 6.054) 6.073 10.163 ( 3.861 -0.000 3.832) 5.440 10.211 ( -15.352 0.000 -2.620) 15.574 10.303 ( 1.706 -0.000 -6.843) 7.052 10.572 ( -0.639 0.000 -13.837) 13.852 10.707 ( -7.951 0.000 4.931) 9.356 11.290 ( 11.986 -0.000 -2.936) 12.340 11.354 ( -9.212 0.000 3.182) 9.746 12.194 ( 9.364 -0.000 20.931) 22.930 12.408 ( -10.462 0.000 -9.427) 14.082 12.875 ( -4.845 0.000 -12.892) 13.772 13.053 ( 6.494 -0.000 2.798) 7.071 13.396 ( 1.002 -0.000 1.641) 1.923 13.876 ( -4.907 0.000 -5.244) 7.181 14.387 ( 6.305 -0.000 7.408) 9.728 17.185 ( 0.327 -0.000 -9.703) 9.708 ======================= Grid point 138 (49/468) ======================= q-point: ( 0.18 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -5.145 0.405 29.225) 29.677 1.937 ( 11.784 -2.734 18.286) 21.925 3.060 ( 19.697 -8.755 15.720) 26.678 3.797 ( -8.515 13.957 -5.344) 17.200 4.033 ( -5.744 -9.213 -5.062) 11.979 4.527 ( 16.195 5.937 -3.999) 17.707 4.729 ( 7.019 -10.144 -7.538) 14.456 4.962 ( -2.137 8.349 -5.009) 9.968 5.376 ( -3.412 -7.512 9.437) 12.535 5.715 ( -2.086 8.985 4.415) 10.226 5.795 ( 1.924 -1.823 8.139) 8.560 6.362 ( 1.766 3.626 0.666) 4.087 6.667 ( -0.686 -8.232 -0.664) 8.287 6.885 ( 3.692 0.727 -6.402) 7.426 7.864 ( 1.390 7.094 3.714) 8.127 8.008 ( 0.902 -8.209 3.622) 9.017 8.609 ( 1.854 5.552 -7.730) 9.696 8.838 ( -6.921 -1.519 -0.096) 7.086 8.968 ( -0.499 -1.193 -0.089) 1.296 9.735 ( 8.476 -1.865 -0.307) 8.684 9.852 ( -7.268 2.853 0.962) 7.867 9.952 ( -14.755 -1.386 0.641) 14.834 10.219 ( 7.039 7.145 0.309) 10.035 10.352 ( 4.413 -5.394 -2.006) 7.252 10.409 ( -2.697 2.435 -4.688) 5.932 10.690 ( -4.139 -0.517 3.794) 5.638 11.242 ( -12.157 -0.040 3.203) 12.572 11.421 ( 7.171 -5.920 -3.134) 9.813 12.113 ( -11.889 7.311 -8.118) 16.147 12.538 ( 6.349 -2.139 14.962) 16.393 12.674 ( -3.652 -1.600 -11.779) 12.436 13.153 ( 6.897 -1.306 -2.150) 7.342 13.459 ( 3.692 -0.332 3.510) 5.105 13.765 ( -2.935 -2.316 -5.392) 6.561 14.573 ( 5.021 -2.314 9.397) 10.902 17.028 ( -0.146 4.766 -11.493) 12.443 ======================= Grid point 139 (50/468) ======================= q-point: ( 0.27 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -6.165 1.032 25.399) 26.157 2.258 ( 7.611 -1.678 9.886) 12.589 3.352 ( -0.368 4.428 1.734) 4.769 3.579 ( -3.746 -0.914 -0.312) 3.869 4.017 ( -0.969 -8.875 -5.297) 10.381 4.532 ( -0.095 -5.102 -6.416) 8.197 4.773 ( 5.745 1.734 -5.879) 8.401 4.950 ( 14.950 -0.337 -3.384) 15.332 5.530 ( -1.955 -4.759 8.951) 10.324 5.612 ( -0.203 10.116 0.400) 10.126 5.941 ( 0.991 -0.404 7.076) 7.157 6.366 ( 4.088 4.537 0.501) 6.127 6.692 ( -0.575 1.495 -3.589) 3.930 6.854 ( 2.931 -4.163 -6.064) 7.918 7.819 ( -0.288 2.579 -3.326) 4.218 8.097 ( -2.938 -10.222 2.084) 10.838 8.601 ( 4.681 8.430 5.097) 10.907 8.764 ( -4.107 -0.364 -3.551) 5.441 8.985 ( 1.115 -2.701 1.523) 3.296 9.645 ( -18.378 2.886 3.762) 18.980 9.854 ( 5.392 -2.068 0.321) 5.784 9.883 ( -0.545 -1.117 -2.310) 2.623 10.231 ( 1.419 3.913 -2.588) 4.902 10.300 ( 0.701 2.750 -0.053) 2.839 10.494 ( 5.531 -0.718 5.456) 7.802 10.707 ( -1.014 -0.407 3.253) 3.432 11.137 ( -14.798 -5.342 5.031) 16.518 11.488 ( 6.839 0.729 -4.998) 8.502 11.821 ( -10.002 6.388 -5.006) 12.881 12.525 ( -0.006 -1.850 -10.199) 10.366 12.743 ( -0.158 -2.795 7.449) 7.958 13.190 ( 6.780 -1.407 -7.066) 9.893 13.564 ( 3.671 0.748 5.147) 6.366 13.734 ( 0.903 -2.872 -0.313) 3.027 14.777 ( 3.358 -3.067 10.486) 11.430 16.829 ( -0.048 5.207 -12.845) 13.860 ======================= Grid point 140 (51/468) ======================= q-point: ( 0.36 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( -9.332 6.158 15.981) 19.504 2.419 ( 3.304 -0.759 4.845) 5.913 3.187 ( -7.054 12.538 0.369) 14.391 3.604 ( -1.999 -11.098 -4.557) 12.162 3.962 ( -4.787 -7.766 -9.082) 12.873 4.564 ( 1.942 -11.039 -2.557) 11.497 4.769 ( 0.509 -0.491 2.050) 2.168 5.123 ( 17.298 -4.641 -7.301) 19.340 5.440 ( -4.987 10.746 -1.390) 11.929 5.707 ( 5.736 5.610 6.378) 10.250 5.994 ( -2.135 0.704 2.880) 3.653 6.393 ( 3.631 2.040 0.036) 4.165 6.594 ( 1.626 3.059 -5.310) 6.340 6.810 ( -1.316 1.506 -5.935) 6.264 7.796 ( 1.665 -6.024 -3.821) 7.326 8.158 ( -7.034 -12.773 0.643) 14.596 8.600 ( -1.087 9.556 1.673) 9.762 8.685 ( -0.074 2.199 -1.281) 2.546 9.071 ( 2.771 -4.835 1.730) 5.836 9.469 ( -13.764 6.221 5.899) 16.216 9.843 ( -0.343 -0.998 0.751) 1.295 9.981 ( 7.632 -2.171 -0.038) 7.935 10.171 ( -3.877 0.573 1.051) 4.057 10.302 ( 3.708 3.977 -1.964) 5.781 10.592 ( -2.821 3.926 6.123) 7.802 10.769 ( 2.463 -1.651 5.396) 6.158 11.136 ( -7.478 -8.996 8.018) 14.182 11.430 ( 2.256 7.668 -4.186) 9.023 11.692 ( 0.607 1.329 -2.029) 2.500 12.457 ( 3.172 -2.312 -7.160) 8.165 12.779 ( -3.858 -3.825 -0.458) 5.452 13.178 ( 6.634 -1.439 -9.963) 12.056 13.655 ( 1.935 2.120 5.810) 6.480 13.816 ( 2.612 -0.504 6.153) 6.704 14.948 ( 1.025 -0.044 9.314) 9.370 16.636 ( 0.573 1.439 -13.101) 13.192 ======================= Grid point 141 (52/468) ======================= q-point: (-0.55 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -11.123 12.641 6.205) 17.945 2.442 ( -3.171 8.540 0.167) 9.111 3.062 ( -6.145 -1.847 3.252) 7.194 3.598 ( 1.397 -6.047 -7.084) 9.418 3.851 ( -8.634 -13.880 -8.881) 18.603 4.588 ( 5.186 5.939 -5.574) 9.656 4.886 ( -6.260 -16.975 8.540) 20.006 5.234 ( 3.198 5.014 -8.182) 10.115 5.264 ( 6.915 4.654 -5.049) 9.745 5.699 ( -1.422 13.967 0.971) 14.073 5.950 ( -5.553 0.929 -0.721) 5.676 6.440 ( 2.933 -1.158 2.482) 4.013 6.591 ( 7.431 -0.594 -5.242) 9.113 6.703 ( -2.617 2.070 -0.006) 3.337 7.825 ( -1.858 -6.038 -2.214) 6.694 8.139 ( -6.413 -12.868 -6.222) 15.666 8.531 ( -1.865 6.877 3.252) 7.833 8.653 ( 0.555 1.463 -2.249) 2.740 9.165 ( 2.098 -7.532 -1.472) 7.957 9.326 ( -7.785 8.226 4.128) 12.054 9.916 ( 1.945 -0.571 6.863) 7.156 10.065 ( 3.751 -1.745 -2.004) 4.597 10.158 ( -3.002 -0.911 2.714) 4.148 10.270 ( 2.837 5.214 -2.176) 6.322 10.542 ( -7.207 3.635 3.662) 8.864 10.879 ( -1.209 -0.056 8.198) 8.287 11.272 ( 5.267 -0.690 7.611) 9.281 11.455 ( 4.031 -3.248 6.982) 8.692 11.690 ( 5.239 2.228 -3.003) 6.437 12.424 ( 2.995 -1.552 -9.576) 10.153 12.773 ( 0.219 -3.526 1.467) 3.825 13.137 ( 7.111 -0.867 -11.492) 13.542 13.713 ( -1.077 3.157 5.827) 6.714 13.932 ( 1.338 1.974 8.935) 9.248 15.004 ( -2.190 7.459 4.921) 9.201 16.515 ( 1.252 -6.799 -11.122) 13.096 ======================= Grid point 142 (53/468) ======================= q-point: (-0.45 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -12.169 18.513 3.374) 22.409 2.182 ( -11.283 17.561 -6.666) 21.912 3.149 ( -2.239 -16.248 3.740) 16.822 3.536 ( 2.239 9.657 -7.535) 12.452 3.767 ( -10.860 -18.415 -7.218) 22.564 4.489 ( 1.638 6.103 -5.827) 8.596 4.998 ( -0.802 4.729 -0.496) 4.822 5.102 ( -4.674 -6.984 2.267) 8.704 5.298 ( 6.074 -3.099 -7.898) 10.435 5.522 ( -7.998 10.257 -0.087) 13.006 5.818 ( -9.269 2.963 -3.175) 10.236 6.502 ( 2.304 2.396 1.405) 3.609 6.629 ( 5.282 -3.441 0.020) 6.304 6.771 ( 6.857 -0.734 2.690) 7.402 7.749 ( -11.192 -2.689 -1.759) 11.644 8.145 ( 4.476 -9.852 -5.137) 11.979 8.511 ( -1.847 4.489 4.671) 6.737 8.641 ( 2.158 -5.712 -4.465) 7.564 9.111 ( -9.424 -1.366 -2.216) 9.777 9.351 ( 5.985 -2.713 1.805) 6.815 9.971 ( -8.475 2.454 0.504) 8.837 10.065 ( 7.442 -1.335 -3.250) 8.229 10.158 ( -2.163 2.092 2.703) 4.045 10.282 ( 3.059 2.637 3.858) 5.585 10.470 ( -6.026 1.491 2.549) 6.711 10.979 ( 0.143 -0.162 9.739) 9.741 11.450 ( 8.214 4.214 7.504) 11.897 11.669 ( 3.673 -9.671 3.438) 10.902 11.726 ( 8.878 5.423 4.998) 11.542 12.302 ( 0.508 0.717 -12.040) 12.072 12.898 ( 6.422 -2.172 5.273) 8.589 13.108 ( 10.705 1.169 -8.845) 13.935 13.711 ( -4.452 3.383 3.634) 6.669 14.029 ( -0.348 3.470 9.054) 9.703 14.885 ( -5.223 14.601 -0.683) 15.522 16.503 ( 0.014 -15.353 -8.145) 17.380 ======================= Grid point 143 (54/468) ======================= q-point: (-0.36 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -12.978 23.328 4.125) 27.012 1.754 ( -15.103 20.456 -8.201) 26.717 3.144 ( -11.387 22.802 -12.068) 28.199 3.380 ( 1.837 -9.073 3.072) 9.753 3.717 ( -10.062 -20.360 -6.159) 23.531 4.472 ( 4.769 -1.244 -0.190) 4.932 4.902 ( 4.742 11.377 -3.560) 12.830 5.150 ( -7.140 -7.353 2.494) 10.548 5.262 ( -0.262 -0.818 -6.955) 7.007 5.399 ( -6.589 -2.714 2.317) 7.493 5.607 ( -11.754 1.910 -4.083) 12.588 6.542 ( 1.773 2.250 5.067) 5.820 6.761 ( 7.060 -2.861 2.806) 8.118 6.859 ( 6.142 1.309 -2.984) 6.953 7.627 ( -7.388 -2.096 0.283) 7.684 8.234 ( 5.364 3.445 0.922) 6.441 8.571 ( 2.386 -6.790 5.678) 9.168 8.692 ( 4.432 -11.910 -5.984) 14.047 8.988 ( -8.602 -2.735 -1.394) 9.134 9.468 ( 2.460 -8.666 -0.518) 9.023 9.773 ( -13.091 2.476 -3.759) 13.843 10.105 ( 9.856 4.194 -9.228) 14.138 10.141 ( -2.663 2.823 4.606) 6.023 10.334 ( -1.766 1.478 3.588) 4.263 10.501 ( 2.109 -1.093 9.183) 9.485 11.102 ( 0.371 -1.235 6.420) 6.548 11.480 ( -5.405 -0.458 -3.493) 6.452 11.815 ( 5.819 -3.099 -2.158) 6.937 11.912 ( 15.984 13.152 11.417) 23.639 12.221 ( 4.925 -1.750 -1.787) 5.523 12.993 ( 5.619 2.051 -2.196) 6.372 13.240 ( 16.465 3.642 4.652) 17.493 13.641 ( -5.598 2.599 -0.047) 6.172 14.085 ( -0.973 3.649 5.920) 7.022 14.638 ( -7.708 16.816 -3.261) 18.783 16.539 ( -5.312 -20.665 -6.882) 22.419 ======================= Grid point 144 (55/468) ======================= q-point: (-0.27 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -13.398 25.491 6.696) 29.566 1.281 ( -15.572 23.763 -5.331) 28.907 2.479 ( -19.090 47.943 -8.164) 52.246 3.576 ( 1.481 -19.435 1.889) 19.582 3.722 ( -7.189 -21.743 -4.188) 23.280 4.516 ( 1.773 5.942 0.642) 6.234 4.835 ( 3.982 10.622 -2.134) 11.543 5.060 ( -12.554 3.171 0.380) 12.954 5.257 ( 0.488 -2.856 -1.051) 3.082 5.350 ( -1.873 -2.075 2.082) 3.486 5.523 ( -3.979 -16.404 -2.979) 17.141 6.592 ( -0.764 6.009 4.013) 7.266 6.848 ( 0.867 -2.963 -2.635) 4.059 6.911 ( 7.991 -2.734 1.236) 8.536 7.633 ( 5.245 1.153 1.427) 5.556 8.218 ( 3.006 12.350 1.172) 12.765 8.700 ( -0.681 -4.600 1.124) 4.784 8.894 ( -3.681 -18.439 1.998) 18.909 8.937 ( 8.068 -9.960 0.131) 12.819 9.495 ( -5.913 -6.251 -8.273) 11.937 9.581 ( -11.628 -6.541 2.606) 13.593 10.034 ( 6.565 8.507 -7.843) 13.303 10.139 ( -3.324 5.261 4.938) 7.945 10.364 ( 2.238 -2.371 1.944) 3.796 10.701 ( 6.792 -1.333 9.433) 11.700 11.117 ( -3.931 -1.750 -4.562) 6.271 11.316 ( -7.128 1.281 -4.964) 8.780 11.733 ( -3.601 12.201 -0.374) 12.726 12.209 ( 12.865 -7.925 4.803) 15.855 12.413 ( 22.819 7.835 5.897) 24.837 13.009 ( 7.924 8.976 -0.009) 11.973 13.447 ( 4.065 6.255 6.289) 9.757 13.571 ( 8.903 3.687 -3.628) 10.296 14.082 ( -0.254 2.218 -1.641) 2.771 14.360 ( -10.364 14.319 -0.177) 17.677 16.520 ( -16.989 -23.691 -4.933) 29.567 ======================= Grid point 145 (56/468) ======================= q-point: (-0.18 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -9.080 27.945 -0.566) 29.389 0.940 ( -14.136 25.510 12.127) 31.585 1.781 ( -15.963 56.853 9.409) 59.797 3.787 ( -0.598 -19.482 4.132) 19.925 3.806 ( -4.032 -23.130 -0.433) 23.483 4.451 ( -0.838 8.506 0.400) 8.556 4.762 ( 1.047 12.998 1.896) 13.178 4.856 ( -11.779 9.341 3.805) 15.508 5.198 ( -4.147 2.050 2.965) 5.495 5.550 ( 7.869 -12.906 -3.442) 15.502 5.612 ( 0.443 -16.932 0.095) 16.938 6.519 ( -1.470 7.259 -0.584) 7.430 6.882 ( 0.296 -3.918 0.072) 3.929 7.019 ( 4.609 -3.053 -2.456) 6.049 7.708 ( 10.576 3.607 -6.412) 12.883 8.162 ( 7.330 13.145 -4.512) 15.712 8.730 ( -1.723 -2.317 1.839) 3.423 8.865 ( -11.204 -8.778 3.906) 14.759 9.248 ( 9.183 -13.838 -6.899) 17.983 9.405 ( -2.644 -7.992 5.937) 10.301 9.601 ( -9.673 -15.756 4.930) 19.134 9.962 ( 5.024 10.772 -0.597) 11.901 10.077 ( -8.570 4.981 4.072) 10.716 10.460 ( 3.855 -4.594 -1.274) 6.131 10.808 ( 7.836 0.641 -11.747) 14.135 11.052 ( 0.608 -0.759 7.298) 7.362 11.203 ( -11.237 0.276 4.565) 12.132 11.568 ( -3.830 16.360 1.852) 16.904 12.438 ( 2.437 -19.218 -1.093) 19.403 12.651 ( 26.524 11.143 -15.332) 32.600 13.038 ( 17.029 18.556 -8.517) 26.587 13.382 ( -1.189 2.248 -3.150) 4.048 13.648 ( 12.208 15.374 -5.743) 20.455 14.040 ( 2.410 0.498 -0.303) 2.479 14.169 ( -9.074 7.110 4.086) 12.231 16.456 ( -28.239 -25.255 15.950) 41.106 ======================= Grid point 146 (57/468) ======================= q-point: (-0.09 0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 8.547 21.521 16.300) 28.318 0.823 ( -4.243 19.637 23.920) 31.238 1.486 ( -0.397 46.286 31.912) 56.222 3.925 ( -0.232 -18.555 -0.515) 18.563 4.069 ( -2.176 -23.328 3.872) 23.747 4.416 ( -0.240 2.305 4.320) 4.902 4.622 ( -0.161 13.816 -1.953) 13.954 4.904 ( 1.321 1.627 20.391) 20.499 5.214 ( -0.680 2.100 6.720) 7.074 5.549 ( 0.559 -6.574 -15.517) 16.861 5.774 ( -2.621 -12.823 2.507) 13.326 6.431 ( 0.715 15.329 -1.581) 15.427 6.900 ( 1.130 -2.481 -2.016) 3.391 6.997 ( 1.123 -1.933 -8.323) 8.618 7.619 ( -0.878 4.547 -8.155) 9.378 7.983 ( -0.159 18.248 -4.383) 18.768 8.711 ( 2.656 1.115 0.381) 2.906 9.021 ( 0.939 -8.647 8.613) 12.241 9.339 ( -3.783 -17.287 -8.560) 19.658 9.495 ( 0.489 -6.677 5.135) 8.437 9.754 ( -2.641 -5.605 4.047) 7.400 9.886 ( -4.325 3.688 -0.397) 5.698 10.108 ( 3.477 -9.833 8.825) 13.662 10.431 ( 2.614 -0.544 -7.917) 8.355 10.822 ( 4.182 -3.023 -3.960) 6.505 11.067 ( -10.113 -0.483 5.551) 11.547 11.228 ( -0.643 4.094 0.620) 4.190 11.485 ( 3.269 10.305 13.706) 17.457 12.119 ( 5.180 47.663 -50.712) 69.787 12.597 ( -0.687 -16.100 -3.446) 16.479 12.883 ( 0.534 6.637 -0.247) 6.663 13.380 ( 3.922 4.705 -3.053) 6.844 13.448 ( -5.456 10.239 -7.623) 13.882 14.053 ( -1.357 0.131 0.204) 1.378 14.152 ( 0.825 5.786 6.654) 8.856 16.875 ( 1.092 -35.624 22.811) 42.315 ======================= Grid point 149 (58/468) ======================= q-point: ( 0.18 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -6.391 0.000 26.809) 27.560 2.247 ( 8.009 -0.000 11.666) 14.150 3.320 ( 5.396 -0.000 5.756) 7.890 3.777 ( -0.586 0.000 -6.888) 6.913 3.782 ( -10.721 0.000 -0.216) 10.723 4.483 ( -7.313 0.000 -13.121) 15.021 4.791 ( 24.104 -0.000 -7.498) 25.243 4.975 ( 3.719 -0.000 -3.410) 5.046 5.476 ( 2.106 -0.000 13.351) 13.516 5.695 ( -4.544 0.000 -1.624) 4.825 5.938 ( 0.430 -0.000 8.827) 8.838 6.460 ( 4.067 -0.000 3.209) 5.181 6.653 ( 4.572 -0.000 0.481) 4.597 6.815 ( 3.088 -0.000 -12.142) 12.529 7.912 ( -1.240 0.000 -8.125) 8.219 7.943 ( -4.767 0.000 4.768) 6.742 8.684 ( 4.713 -0.000 5.630) 7.343 8.757 ( -3.453 0.000 -2.361) 4.183 8.957 ( 0.213 -0.000 0.659) 0.693 9.664 ( -19.019 0.000 4.065) 19.449 9.835 ( 7.814 -0.000 1.042) 7.883 9.869 ( -4.655 0.000 -0.844) 4.731 10.270 ( -1.332 0.000 -2.827) 3.125 10.348 ( 4.884 -0.000 -2.958) 5.710 10.476 ( 7.499 -0.000 6.394) 9.855 10.703 ( -1.368 0.000 3.759) 4.000 11.078 ( -18.360 0.000 4.771) 18.970 11.497 ( 10.563 -0.000 -2.216) 10.793 11.885 ( -12.457 0.000 -6.916) 14.248 12.508 ( 0.369 -0.000 -10.223) 10.230 12.714 ( 0.746 -0.000 6.089) 6.134 13.177 ( 7.904 -0.000 -7.955) 11.214 13.576 ( 3.632 -0.000 7.104) 7.979 13.703 ( 1.560 -0.000 -0.244) 1.579 14.748 ( 3.061 -0.000 11.881) 12.269 16.876 ( -0.935 0.000 -14.276) 14.306 ======================= Grid point 150 (59/468) ======================= q-point: ( 0.27 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.182 ( -8.704 2.366 21.469) 23.287 2.410 ( 2.934 -0.292 4.699) 5.547 3.352 ( -4.220 0.712 -1.200) 4.444 3.548 ( -4.624 11.075 -2.351) 12.230 3.801 ( -4.119 -12.506 -8.457) 15.648 4.305 ( -6.050 -10.380 -2.463) 12.265 4.896 ( 10.112 8.757 -6.044) 14.679 5.028 ( 14.063 -6.669 -8.372) 17.673 5.583 ( -3.892 6.654 0.101) 7.709 5.726 ( 4.861 -3.043 11.356) 12.722 6.011 ( -1.588 0.799 5.015) 5.321 6.506 ( 6.082 8.734 -0.132) 10.644 6.645 ( 0.056 3.160 -8.290) 8.872 6.763 ( 4.488 -6.861 -6.422) 10.414 7.765 ( -0.664 2.575 -6.735) 7.241 7.950 ( -9.111 -10.118 0.929) 13.647 8.677 ( -1.981 1.006 -3.929) 4.513 8.760 ( -1.232 3.989 4.320) 6.008 9.011 ( 3.055 -1.768 2.433) 4.287 9.539 ( -13.962 1.967 9.166) 16.817 9.805 ( -2.938 -2.199 -0.905) 3.779 9.954 ( 7.208 -0.873 1.345) 7.384 10.223 ( -2.456 3.812 2.081) 4.989 10.358 ( 3.733 1.781 -2.201) 4.686 10.638 ( -1.065 1.468 7.873) 8.080 10.743 ( 1.743 -1.198 2.891) 3.582 10.980 ( -8.563 -6.355 6.237) 12.354 11.567 ( 6.618 6.190 -3.055) 9.563 11.697 ( -4.659 -0.951 -2.059) 5.182 12.430 ( 4.313 -0.812 -7.861) 9.004 12.724 ( -1.659 -2.007 -2.638) 3.707 13.158 ( 7.930 -0.750 -11.125) 13.683 13.698 ( 1.834 2.199 7.826) 8.333 13.795 ( 3.504 -1.438 7.251) 8.181 14.936 ( 1.072 -0.733 12.878) 12.944 16.664 ( -1.273 1.173 -16.160) 16.252 ======================= Grid point 151 (60/468) ======================= q-point: (-0.64 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -9.768 8.948 10.055) 16.631 2.507 ( 0.418 -1.617 6.307) 6.525 3.138 ( -11.668 10.266 -6.006) 16.662 3.476 ( -2.171 -7.360 -2.547) 8.086 3.679 ( -3.032 -5.853 -11.362) 13.136 4.445 ( -2.146 -16.938 8.231) 18.954 4.837 ( 2.910 6.195 -4.854) 8.391 5.145 ( 13.633 -6.170 -10.673) 18.380 5.454 ( -1.584 9.334 -3.617) 10.135 5.888 ( -0.642 1.869 6.591) 6.881 5.992 ( -4.191 7.495 0.390) 8.596 6.447 ( 2.475 3.215 -3.722) 5.506 6.599 ( 4.354 1.048 -1.523) 4.731 6.734 ( -0.272 0.639 -4.984) 5.032 7.725 ( 1.524 -4.655 -2.888) 5.686 7.905 ( -9.885 -12.889 -4.307) 16.805 8.602 ( -1.725 2.283 -2.243) 3.635 8.714 ( -4.508 2.964 0.495) 5.418 9.088 ( 3.612 -0.664 0.338) 3.688 9.450 ( -9.217 5.528 4.878) 11.803 9.850 ( -1.758 -5.852 5.706) 8.360 10.034 ( 4.217 -1.291 -2.128) 4.897 10.202 ( -1.893 5.366 5.456) 7.883 10.354 ( 3.378 3.558 -2.194) 5.375 10.597 ( -10.064 2.720 5.008) 11.565 10.837 ( -1.865 -4.806 5.786) 7.750 11.140 ( 5.009 -7.810 9.512) 13.288 11.546 ( 6.258 8.047 2.393) 10.471 11.712 ( 5.472 -0.324 -1.615) 5.714 12.401 ( 4.306 -0.944 -8.596) 9.660 12.720 ( 4.348 -2.473 -0.757) 5.059 13.120 ( 8.690 -0.957 -12.160) 14.977 13.773 ( -1.176 3.362 7.002) 7.856 13.949 ( 1.686 0.018 10.082) 10.222 15.084 ( -1.511 2.318 11.074) 11.415 16.441 ( -1.514 -2.187 -16.439) 16.653 ======================= Grid point 152 (61/468) ======================= q-point: (-0.55 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -9.454 14.056 5.465) 17.799 2.493 ( -5.206 15.949 -1.430) 16.838 2.904 ( -8.729 -10.191 -2.512) 13.651 3.465 ( -7.889 -13.937 -5.852) 17.051 3.636 ( 7.678 0.826 -2.606) 8.150 4.604 ( 1.473 0.081 -0.451) 1.543 4.779 ( -7.216 -9.285 2.458) 12.014 5.183 ( 6.443 -0.496 -9.676) 11.635 5.318 ( 3.883 7.774 -6.521) 10.865 5.751 ( -10.439 15.534 -4.242) 19.190 5.852 ( -9.381 1.557 0.696) 9.535 6.493 ( 2.359 -4.126 1.400) 4.955 6.623 ( 5.878 2.241 -2.016) 6.605 6.737 ( 3.036 -2.156 3.568) 5.157 7.701 ( -9.831 -2.652 -1.133) 10.246 7.907 ( 4.893 -15.848 -6.269) 17.731 8.545 ( -1.847 -0.531 -1.453) 2.409 8.641 ( -3.502 2.541 -0.002) 4.327 9.068 ( -4.023 0.924 -3.901) 5.680 9.399 ( 0.271 4.701 4.142) 6.271 9.926 ( -8.365 -6.680 3.972) 11.418 10.024 ( 1.300 -1.993 -5.498) 5.991 10.227 ( 3.393 4.860 3.914) 7.103 10.345 ( 3.083 4.155 1.291) 5.333 10.511 ( -8.038 2.589 3.382) 9.097 10.932 ( -2.053 -4.998 7.651) 9.366 11.399 ( 5.031 -6.833 9.177) 12.499 11.598 ( 4.542 0.279 -3.162) 5.541 11.838 ( 11.957 5.830 10.531) 16.967 12.325 ( 4.870 1.721 -11.152) 12.290 12.865 ( 9.779 -1.563 4.748) 10.983 13.115 ( 13.413 -0.179 -9.526) 16.453 13.776 ( -4.740 3.972 4.283) 7.522 14.074 ( -0.478 1.695 9.623) 9.783 15.100 ( -5.096 10.066 5.571) 12.583 16.280 ( -2.428 -10.401 -13.415) 17.148 ======================= Grid point 153 (62/468) ======================= q-point: (-0.45 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -9.457 19.648 4.568) 22.279 2.129 ( -11.754 22.600 -7.302) 26.500 2.993 ( -0.566 -16.602 1.910) 16.721 3.402 ( -8.340 -15.616 -6.802) 18.966 3.683 ( 7.119 17.143 0.075) 18.563 4.500 ( 1.058 7.314 -3.411) 8.139 4.869 ( -8.624 -20.754 2.710) 22.637 5.078 ( 0.916 7.947 -6.002) 10.000 5.263 ( 4.689 2.170 -6.896) 8.617 5.459 ( -11.720 7.170 -2.158) 13.908 5.676 ( -13.523 4.643 -0.979) 14.331 6.554 ( 1.056 -3.109 2.286) 4.001 6.720 ( 7.571 -1.117 2.886) 8.179 6.841 ( 3.070 -2.136 -0.300) 3.752 7.586 ( -6.385 -2.261 -0.194) 6.776 8.103 ( 10.691 -15.728 -0.437) 19.023 8.539 ( -0.881 -5.172 -0.748) 5.300 8.584 ( -1.510 3.406 -0.022) 3.726 8.924 ( -8.962 -1.208 -4.332) 10.027 9.430 ( 1.839 2.306 1.137) 3.161 9.792 ( -14.737 0.118 -2.523) 14.952 10.051 ( 2.560 -8.243 -2.476) 8.979 10.245 ( 5.002 7.117 -2.118) 8.953 10.381 ( -1.877 3.347 2.340) 4.494 10.502 ( 2.724 0.829 8.474) 8.939 11.051 ( -1.041 -4.273 6.437) 7.796 11.466 ( -4.145 -0.849 -4.901) 6.475 11.690 ( 6.657 -9.260 1.786) 11.544 12.075 ( 4.432 7.583 10.223) 13.478 12.285 ( 15.810 5.633 -3.101) 17.068 13.029 ( 9.992 2.241 1.612) 10.366 13.282 ( 21.072 1.109 2.101) 21.205 13.696 ( -7.065 3.778 0.303) 8.017 14.141 ( -1.233 2.645 5.441) 6.175 14.927 ( -8.709 16.587 0.055) 18.735 16.214 ( -6.262 -17.372 -8.820) 20.464 ======================= Grid point 154 (63/468) ======================= q-point: (-0.36 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -9.011 24.299 4.069) 26.233 1.701 ( -11.351 24.528 -4.279) 27.364 3.126 ( 0.602 3.073 1.279) 3.383 3.371 ( -4.995 -14.893 -6.483) 16.994 3.439 ( -6.327 23.027 0.606) 23.888 4.563 ( 8.436 -2.087 2.802) 9.131 4.942 ( -1.561 -11.004 -5.958) 12.611 4.978 ( -3.861 -1.448 1.556) 4.408 5.208 ( 0.758 0.843 -3.765) 3.932 5.309 ( -7.932 -0.654 2.245) 8.270 5.440 ( -13.176 4.929 -1.647) 14.164 6.655 ( 1.204 -2.281 6.839) 7.309 6.790 ( -3.129 -1.080 -6.901) 7.654 6.861 ( 6.611 -1.863 1.546) 7.041 7.620 ( 5.585 -2.884 1.257) 6.410 8.371 ( 8.638 -1.168 3.638) 9.445 8.564 ( 3.814 -10.469 -6.530) 12.914 8.602 ( -1.243 -6.634 7.082) 9.783 8.795 ( -8.471 -7.859 -3.260) 12.006 9.410 ( -2.759 -0.431 -2.079) 3.481 9.567 ( -14.100 1.191 -1.757) 14.259 10.132 ( 5.949 -2.449 -3.205) 7.188 10.212 ( 0.921 5.080 1.875) 5.493 10.334 ( -3.888 1.332 1.240) 4.292 10.695 ( 10.272 0.399 6.630) 12.233 11.091 ( -2.377 -1.263 -1.791) 3.233 11.324 ( -7.566 -0.016 -3.811) 8.472 11.860 ( 5.850 -5.986 0.176) 8.372 12.048 ( -2.582 3.157 0.313) 4.090 12.538 ( 19.218 3.678 5.338) 20.282 13.159 ( 13.863 7.796 3.054) 16.195 13.551 ( -5.477 5.159 0.621) 7.550 13.614 ( 21.853 2.165 3.519) 22.240 14.124 ( -0.062 2.519 -3.652) 4.437 14.641 ( -12.278 17.892 0.168) 21.700 16.166 ( -13.531 -18.547 -4.155) 23.331 ======================= Grid point 155 (64/468) ======================= q-point: (-0.27 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -4.565 27.707 -0.155) 28.081 1.390 ( -9.488 26.498 7.983) 29.256 2.754 ( -6.914 55.489 4.300) 56.083 3.443 ( -1.982 -19.322 -1.905) 19.517 3.461 ( -1.635 -17.835 4.183) 18.392 4.616 ( 2.977 9.300 -1.765) 9.923 4.934 ( 0.804 5.117 0.906) 5.259 4.972 ( -4.509 -0.556 1.092) 4.672 5.219 ( -1.783 -2.303 1.872) 3.462 5.316 ( -3.094 -10.496 -1.524) 11.048 5.325 ( -2.132 -10.066 5.024) 11.451 6.640 ( -1.165 7.397 -2.157) 7.792 6.786 ( -1.673 -7.700 3.029) 8.442 6.954 ( 3.937 -3.892 -2.257) 5.978 7.729 ( 9.075 -1.788 -5.408) 10.714 8.354 ( 1.902 11.639 -1.347) 11.870 8.636 ( 1.218 -8.765 -1.429) 8.964 8.713 ( -7.344 -8.640 3.877) 11.984 8.922 ( 6.226 -24.015 -2.613) 24.946 9.350 ( -2.407 0.752 3.933) 4.672 9.434 ( -10.416 -2.991 4.250) 11.641 10.127 ( 4.797 7.624 -1.181) 9.084 10.196 ( -3.867 7.321 1.264) 8.375 10.347 ( -0.027 -8.217 0.155) 8.218 10.829 ( 10.391 1.780 -9.017) 13.872 11.046 ( 0.741 -0.079 2.638) 2.742 11.212 ( -10.874 0.887 5.244) 12.105 11.848 ( 1.143 15.105 -0.313) 15.151 12.110 ( -0.138 -17.799 0.012) 17.799 12.718 ( 10.661 0.593 -5.802) 12.153 13.281 ( 13.824 9.729 -6.458) 18.095 13.425 ( -1.134 2.733 -1.993) 3.568 13.860 ( 15.122 9.277 -9.791) 20.263 14.055 ( 5.122 1.355 0.187) 5.301 14.361 ( -13.191 15.144 5.670) 20.869 16.128 ( -16.228 -15.846 8.995) 24.400 ======================= Grid point 156 (65/468) ======================= q-point: (-0.18 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 2.729 28.046 7.930) 29.273 1.210 ( -4.522 24.589 15.608) 29.474 2.363 ( 1.385 53.642 17.126) 56.326 3.594 ( 2.421 -19.386 -0.525) 19.543 3.670 ( -3.745 -22.104 5.645) 23.119 4.529 ( 0.526 8.523 -0.972) 8.595 4.838 ( -0.279 10.441 -2.710) 10.791 4.994 ( 0.667 5.167 11.000) 12.171 5.257 ( -0.639 1.937 6.850) 7.147 5.385 ( 2.027 -10.549 -5.249) 11.956 5.492 ( -3.629 -17.970 3.379) 18.642 6.592 ( 1.887 6.994 2.013) 7.519 6.839 ( 0.012 -4.950 -0.171) 4.953 6.951 ( 0.177 -3.581 -7.187) 8.032 7.674 ( -0.853 1.600 -10.251) 10.410 8.237 ( 0.099 12.217 -3.756) 12.782 8.692 ( 0.609 -4.366 0.083) 4.409 8.852 ( 0.152 -11.048 10.759) 15.422 9.018 ( 2.313 -18.777 -13.692) 23.354 9.428 ( -6.637 -2.710 8.000) 10.742 9.546 ( 3.128 -10.215 12.057) 16.109 10.026 ( -5.289 9.417 -6.509) 12.611 10.138 ( 4.162 6.218 3.941) 8.457 10.390 ( 0.745 -4.431 -3.034) 5.422 10.786 ( 2.238 -1.013 -7.850) 8.226 11.062 ( -5.549 -0.066 3.590) 6.609 11.260 ( 1.696 0.647 9.126) 9.305 11.716 ( -0.025 15.068 1.974) 15.197 12.261 ( 0.741 -17.824 -2.745) 18.049 12.586 ( 1.280 8.956 -26.269) 27.783 13.074 ( 1.712 13.217 -14.257) 19.516 13.437 ( -1.163 3.225 3.271) 4.739 13.638 ( 2.164 9.703 -20.083) 22.409 14.063 ( -4.139 1.222 -0.052) 4.316 14.310 ( 1.220 12.803 11.655) 17.356 16.390 ( 0.947 -22.063 21.691) 30.954 ======================= Grid point 157 (66/468) ======================= q-point: (-0.09 0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.909 15.305 21.929) 26.757 1.290 ( 7.531 16.691 21.091) 27.930 2.339 ( 16.451 40.659 24.982) 50.477 3.816 ( 7.260 -18.198 -0.612) 19.602 3.837 ( -7.106 -21.718 0.790) 22.864 4.488 ( 0.257 4.092 1.987) 4.557 4.728 ( 4.865 11.253 -4.040) 12.908 5.143 ( -2.529 0.003 11.912) 12.177 5.294 ( 2.007 -1.263 -1.445) 2.777 5.399 ( 0.123 3.067 4.532) 5.474 5.621 ( -2.766 -15.676 1.239) 15.966 6.516 ( -3.183 9.786 -1.701) 10.430 6.856 ( -0.973 -2.948 -4.722) 5.651 6.922 ( 4.204 0.202 -2.426) 4.858 7.553 ( -2.146 -1.153 0.131) 2.440 8.089 ( -0.007 13.812 -0.358) 13.817 8.738 ( -0.202 -7.627 -2.496) 8.028 8.969 ( 1.530 -8.385 -7.735) 11.510 9.068 ( -8.262 -7.576 4.116) 11.941 9.545 ( 4.695 -8.252 6.798) 11.677 9.778 ( 1.155 3.692 1.193) 4.048 9.809 ( 1.953 -4.746 -3.465) 6.193 10.216 ( 4.931 0.829 2.723) 5.694 10.388 ( 1.175 -1.451 -4.049) 4.459 10.676 ( -16.882 -2.592 4.268) 17.605 11.019 ( -4.261 2.184 -7.345) 8.768 11.257 ( 4.330 7.984 -5.469) 10.602 11.767 ( 3.856 1.675 7.892) 8.942 12.026 ( -0.903 26.794 -13.397) 29.970 12.369 ( -5.052 -15.158 -3.248) 16.304 12.949 ( 4.140 3.975 -2.974) 6.464 13.312 ( -6.838 8.638 -11.231) 15.732 13.425 ( 0.724 4.157 -0.484) 4.247 14.015 ( -4.505 0.584 -0.280) 4.551 14.349 ( 4.347 10.627 6.837) 13.363 16.857 ( 6.226 -24.333 6.149) 25.859 ======================= Grid point 161 (67/468) ======================= q-point: ( 0.27 -0.73 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -11.137 0.000 15.903) 19.415 2.459 ( 1.278 -0.000 1.827) 2.229 3.292 ( -3.436 0.000 -1.121) 3.615 3.376 ( -14.824 0.000 -14.193) 20.523 3.636 ( 2.248 -0.000 -6.014) 6.421 4.268 ( -3.144 0.000 12.587) 12.973 4.907 ( 3.156 -0.000 -10.224) 10.700 5.077 ( 16.138 -0.000 -9.255) 18.604 5.544 ( -0.986 0.000 -5.279) 5.371 5.875 ( -4.912 0.000 9.854) 11.010 6.071 ( 0.809 -0.000 5.693) 5.750 6.500 ( -0.993 0.000 -12.012) 12.052 6.624 ( 2.240 -0.000 1.746) 2.840 6.722 ( 5.853 -0.000 -7.494) 9.509 7.688 ( 0.861 -0.000 -6.771) 6.826 7.774 ( -11.594 0.000 0.751) 11.618 8.625 ( -1.110 0.000 -2.878) 3.084 8.729 ( -6.853 0.000 -1.328) 6.980 9.102 ( 5.269 -0.000 3.534) 6.344 9.497 ( -9.611 0.000 3.926) 10.382 9.788 ( -3.177 0.000 5.894) 6.696 10.023 ( 4.720 -0.000 -2.003) 5.128 10.270 ( -3.077 0.000 5.495) 6.298 10.381 ( 3.022 -0.000 -1.233) 3.263 10.627 ( -13.629 0.000 7.114) 15.374 10.770 ( 0.942 -0.000 1.887) 2.109 11.075 ( 6.970 -0.000 10.419) 12.536 11.651 ( 7.852 -0.000 -6.927) 10.471 11.678 ( 2.729 -0.000 6.940) 7.458 12.393 ( 4.795 -0.000 -8.040) 9.361 12.697 ( 6.334 -0.000 -1.655) 6.546 13.111 ( 9.303 -0.000 -12.411) 15.510 13.807 ( -1.786 0.000 7.405) 7.618 13.945 ( 2.349 -0.000 10.504) 10.763 15.101 ( -1.177 0.000 13.488) 13.540 16.425 ( -2.563 0.000 -18.510) 18.686 ======================= Grid point 164 (68/468) ======================= q-point: (-0.64 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -10.097 8.271 8.199) 15.414 2.555 ( 2.861 -5.543 5.021) 8.008 2.936 ( -14.954 9.489 -14.139) 22.662 3.273 ( -5.383 -7.995 -3.537) 10.267 3.635 ( 7.021 -0.357 -2.008) 7.311 4.437 ( -8.522 -8.710 15.430) 19.662 4.806 ( 6.678 3.066 -11.895) 13.982 5.148 ( 10.908 -1.611 -8.028) 13.639 5.439 ( 0.460 4.307 -7.283) 8.474 5.836 ( -11.403 -0.403 0.899) 11.446 6.049 ( -7.589 14.364 0.475) 16.253 6.375 ( -3.748 -8.549 -4.732) 10.466 6.669 ( 5.564 2.575 -0.171) 6.133 6.713 ( 3.791 -1.014 -0.890) 4.024 7.665 ( -7.851 -2.500 -1.654) 8.404 7.681 ( 3.184 -7.077 -2.313) 8.098 8.556 ( -2.732 1.744 -3.293) 4.620 8.626 ( -5.774 -2.906 -2.819) 7.052 9.172 ( 2.059 7.758 2.110) 8.299 9.431 ( -3.551 -1.525 1.223) 4.053 9.817 ( -6.800 -3.913 4.264) 8.930 10.005 ( -2.770 -0.497 -4.426) 5.245 10.295 ( 3.270 2.486 3.354) 5.303 10.400 ( 3.074 1.800 -0.993) 3.698 10.545 ( -10.300 1.154 5.074) 11.539 10.842 ( -0.593 -3.981 6.612) 7.741 11.316 ( 5.878 -2.390 11.934) 13.515 11.606 ( 4.307 0.291 -11.175) 11.980 11.907 ( 10.116 2.102 15.267) 18.435 12.350 ( 7.373 0.881 -9.614) 12.148 12.847 ( 12.603 -0.501 4.408) 13.361 13.109 ( 14.645 -0.307 -10.220) 17.861 13.831 ( -5.541 1.917 4.896) 7.639 14.089 ( 0.129 0.267 9.657) 9.662 15.218 ( -4.202 3.546 11.670) 12.901 16.159 ( -4.220 -3.635 -18.740) 19.550 ======================= Grid point 165 (69/468) ======================= q-point: (-0.55 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -8.501 12.292 5.887) 16.063 2.476 ( -11.451 16.029 -10.873) 22.501 2.753 ( 2.823 -10.381 5.116) 11.913 3.207 ( -5.556 -6.877 -5.594) 10.462 3.780 ( 12.445 -2.196 3.071) 13.005 4.530 ( -10.623 -16.549 2.616) 19.838 4.726 ( 4.641 14.360 -3.245) 15.436 5.161 ( 2.871 2.029 -4.720) 5.886 5.331 ( 2.709 4.606 -5.716) 7.824 5.597 ( -14.825 7.208 -7.152) 17.969 5.778 ( -14.202 9.485 0.841) 17.099 6.380 ( -6.371 -16.259 -2.929) 17.707 6.740 ( 8.302 2.680 1.845) 8.917 6.817 ( 5.351 -0.949 3.571) 6.503 7.569 ( -4.699 0.778 -0.913) 4.850 7.825 ( 6.797 -14.877 -0.301) 16.359 8.478 ( -2.576 -1.505 -2.377) 3.814 8.563 ( -4.637 -4.885 -2.592) 7.216 9.059 ( -3.156 14.990 -0.572) 15.329 9.465 ( 0.453 -0.531 1.783) 1.914 9.773 ( -12.141 -2.941 0.481) 12.501 9.896 ( -3.682 -7.399 -5.560) 9.961 10.352 ( 5.230 5.168 -2.639) 7.811 10.427 ( 0.613 1.531 1.629) 2.318 10.514 ( 1.539 0.328 6.117) 6.316 10.976 ( -0.524 -3.818 9.381) 10.142 11.458 ( -1.430 0.087 -6.185) 6.349 11.553 ( 3.833 -6.197 1.039) 7.360 12.186 ( 5.182 5.173 12.763) 14.714 12.352 ( 13.937 1.965 -5.313) 15.044 13.069 ( 13.052 2.235 5.083) 14.184 13.282 ( 24.176 -0.744 -0.829) 24.202 13.759 ( -8.334 3.155 1.315) 9.008 14.172 ( -0.703 1.092 4.790) 4.963 15.185 ( -8.313 12.904 5.804) 16.410 15.953 ( -6.824 -12.782 -13.310) 19.675 ======================= Grid point 166 (70/468) ======================= q-point: (-0.45 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( -7.304 17.932 4.995) 19.996 2.079 ( -9.722 18.452 -6.337) 21.798 2.957 ( 4.548 -9.543 5.565) 11.947 3.135 ( -3.887 -9.278 -6.282) 11.860 3.973 ( 11.875 15.521 3.323) 19.823 4.548 ( -0.315 1.552 -4.482) 4.753 4.596 ( -7.007 -11.230 1.275) 13.298 5.071 ( -3.936 6.685 -0.841) 7.803 5.272 ( 1.855 4.919 -5.753) 7.793 5.332 ( -9.799 1.728 1.452) 10.056 5.540 ( -14.361 6.006 -0.534) 15.576 6.438 ( -5.537 -20.030 -0.461) 20.787 6.843 ( 6.758 2.741 0.972) 7.357 6.879 ( 2.886 4.575 0.436) 5.427 7.559 ( 2.840 -2.863 0.399) 4.052 8.090 ( 8.676 -20.896 2.154) 22.728 8.466 ( -1.236 -5.037 -0.639) 5.226 8.530 ( -3.992 -6.930 -1.681) 8.172 8.867 ( -4.301 16.578 -0.531) 17.135 9.445 ( -2.474 2.878 -0.527) 3.832 9.590 ( -12.660 1.276 -2.078) 12.893 9.958 ( 1.211 -14.676 -0.473) 14.734 10.313 ( 2.048 5.164 -2.131) 5.950 10.387 ( -4.318 3.257 1.797) 5.699 10.705 ( 13.631 0.587 4.380) 14.329 11.076 ( -0.672 -0.459 2.393) 2.527 11.320 ( -4.182 -0.345 -6.044) 7.358 11.668 ( -0.904 -10.821 1.523) 10.965 12.211 ( 4.022 10.685 -0.687) 11.438 12.553 ( 12.660 -1.492 3.853) 13.317 13.268 ( 13.004 4.960 5.437) 14.942 13.582 ( 3.075 -0.447 -5.776) 6.559 13.685 ( 15.472 5.114 10.114) 19.179 14.161 ( 0.579 1.708 -4.912) 5.233 14.953 ( -12.096 18.338 0.881) 21.986 15.867 ( -10.916 -16.923 -4.087) 20.548 ======================= Grid point 167 (71/468) ======================= q-point: (-0.36 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -2.927 23.143 -0.357) 23.331 1.818 ( -7.388 22.756 6.343) 24.752 3.126 ( 1.311 -12.365 -4.196) 13.123 3.165 ( 0.365 -13.103 3.947) 13.689 3.719 ( -3.737 48.699 1.686) 48.872 4.640 ( 5.580 -10.338 -4.555) 12.600 4.714 ( 2.790 -22.991 0.561) 23.167 4.956 ( -7.575 5.209 3.871) 9.975 5.197 ( 0.141 1.704 0.228) 1.725 5.312 ( -4.567 5.103 6.602) 9.512 5.323 ( -8.278 4.106 0.652) 9.263 6.552 ( -2.908 -17.484 0.613) 17.735 6.810 ( 0.258 9.515 0.562) 9.535 6.914 ( 3.763 -0.375 -2.256) 4.403 7.652 ( 5.571 -6.270 -3.267) 9.001 8.391 ( 6.659 -22.570 -4.007) 23.871 8.502 ( 1.499 -2.679 0.202) 3.076 8.560 ( -3.328 -13.116 1.193) 13.584 8.679 ( -4.927 13.281 2.560) 14.395 9.395 ( -2.051 3.605 3.854) 5.662 9.440 ( -7.842 2.048 2.184) 8.394 10.100 ( 2.476 -12.810 -1.501) 13.133 10.289 ( 1.059 4.248 2.411) 4.998 10.311 ( -4.012 5.015 -0.348) 6.432 10.868 ( 11.965 2.778 -7.306) 14.292 11.044 ( 1.745 -0.356 -1.843) 2.563 11.236 ( -8.890 2.023 5.870) 10.844 11.781 ( -0.393 -15.791 0.188) 15.797 12.136 ( 1.997 13.748 -0.697) 13.910 12.703 ( 7.344 -2.166 -3.880) 8.584 13.398 ( 6.575 4.666 -4.605) 9.285 13.469 ( -0.545 2.208 0.643) 2.364 13.980 ( 12.712 5.291 -11.877) 18.184 14.083 ( 8.209 1.656 1.011) 8.435 14.657 ( -12.052 18.736 5.168) 22.869 15.869 ( -10.682 -15.083 6.009) 19.435 ======================= Grid point 168 (72/468) ======================= q-point: (-0.27 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 1.604 26.380 5.734) 27.043 1.633 ( -3.540 24.199 10.287) 26.532 3.175 ( 2.840 14.029 0.026) 14.313 3.314 ( -5.548 -15.164 3.306) 16.482 3.382 ( 2.650 17.405 6.261) 18.686 4.632 ( 2.016 0.275 -8.318) 8.563 4.899 ( -4.555 -13.610 0.686) 14.369 4.965 ( 1.993 -1.174 3.811) 4.458 5.215 ( -0.792 -1.145 1.792) 2.269 5.271 ( 3.627 -1.047 5.441) 6.622 5.382 ( -2.381 4.258 12.598) 13.509 6.683 ( 6.572 -6.909 0.734) 9.563 6.741 ( -5.558 3.342 2.204) 6.850 6.895 ( 0.004 -2.068 -6.175) 6.512 7.656 ( -0.875 -3.739 -8.461) 9.291 8.429 ( 2.536 6.528 -5.533) 8.925 8.559 ( -5.986 -11.296 -2.956) 13.122 8.637 ( 8.000 -11.995 -0.071) 14.418 8.723 ( -3.053 -10.963 6.116) 12.920 9.400 ( -1.464 0.836 4.626) 4.923 9.490 ( 0.127 0.909 12.753) 12.786 10.137 ( -2.629 -1.142 -6.479) 7.085 10.222 ( 2.483 3.844 -0.679) 4.626 10.325 ( -0.314 0.369 4.297) 4.324 10.785 ( 1.499 0.650 -11.555) 11.670 11.065 ( -3.172 0.479 1.693) 3.627 11.267 ( 1.574 0.310 8.904) 9.048 11.888 ( -0.412 -6.977 -4.426) 8.272 12.040 ( -0.349 4.408 2.244) 4.958 12.654 ( 1.035 0.732 -13.789) 13.848 13.259 ( 3.292 8.193 -14.732) 17.176 13.489 ( -4.181 2.595 4.363) 6.577 13.772 ( 7.505 6.379 -23.723) 25.686 14.092 ( -7.300 1.981 -0.924) 7.620 14.574 ( 0.993 17.384 13.400) 21.971 16.068 ( 0.806 -16.938 14.449) 22.278 ======================= Grid point 169 (73/468) ======================= q-point: (-0.18 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -2.315 22.457 13.327) 26.216 1.624 ( 6.932 21.781 14.569) 27.106 3.052 ( 10.041 39.320 14.422) 43.068 3.460 ( -6.625 -20.523 1.729) 21.635 3.510 ( 7.368 -16.314 0.629) 17.912 4.554 ( 0.098 2.806 -2.608) 3.833 4.893 ( 3.908 6.069 -4.673) 8.599 5.059 ( -3.432 -11.941 4.740) 13.298 5.267 ( 2.354 -0.967 -1.068) 2.760 5.432 ( 5.849 -2.849 7.516) 9.940 5.473 ( -2.941 5.254 13.041) 14.364 6.635 ( -6.210 4.835 -1.037) 7.939 6.808 ( -1.783 -2.356 -5.815) 6.523 6.878 ( 8.783 -5.418 1.538) 10.434 7.540 ( -4.122 -1.160 -4.041) 5.888 8.309 ( -0.131 12.044 -1.765) 12.173 8.543 ( -4.719 -14.436 -7.217) 16.815 8.808 ( 2.953 -11.742 -2.424) 12.347 8.904 ( 3.164 -8.902 8.091) 12.439 9.475 ( 1.458 -0.694 6.428) 6.628 9.640 ( 0.659 -4.563 7.561) 8.855 9.979 ( 0.955 9.165 -7.514) 11.890 10.256 ( 3.552 1.089 0.899) 3.823 10.353 ( -0.723 -0.983 -0.007) 1.220 10.642 ( -11.372 -1.147 -0.338) 11.435 11.026 ( -3.986 -0.705 -3.184) 5.150 11.371 ( 3.340 3.952 0.095) 5.175 11.781 ( -0.654 0.011 -5.423) 5.462 12.134 ( -1.675 -10.393 2.708) 10.870 12.379 ( -2.952 13.808 -13.783) 19.732 13.045 ( 1.748 6.915 -10.038) 12.314 13.410 ( -6.942 3.639 -4.403) 8.990 13.535 ( 3.170 7.767 -9.772) 12.879 14.013 ( -5.059 -0.718 1.004) 5.207 14.583 ( 2.136 15.970 7.712) 17.863 16.463 ( 7.625 -21.174 9.642) 24.484 ======================= Grid point 170 (74/468) ======================= q-point: (-0.09 0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -2.565 12.470 21.407) 24.907 1.780 ( 10.440 14.379 16.829) 24.474 3.126 ( 16.554 29.497 15.302) 37.125 3.544 ( -8.700 -19.615 0.444) 21.462 3.791 ( 12.339 -17.133 -0.130) 21.114 4.525 ( -0.237 1.695 0.305) 1.738 4.814 ( 6.244 8.236 -6.906) 12.430 5.112 ( -5.162 1.322 0.168) 5.331 5.309 ( 2.770 -11.045 -0.260) 11.390 5.527 ( -4.425 6.950 11.219) 13.919 5.635 ( 7.600 -1.041 7.762) 10.913 6.481 ( -4.424 5.552 -4.746) 8.539 6.759 ( -0.795 -4.466 -3.628) 5.808 6.962 ( -1.368 2.007 0.615) 2.506 7.575 ( 5.441 -4.647 4.767) 8.598 8.204 ( 0.025 11.155 1.527) 11.259 8.501 ( -3.182 -11.870 -9.315) 15.421 8.888 ( 0.955 -6.312 -1.704) 6.607 9.011 ( -4.496 -0.779 3.076) 5.503 9.608 ( 3.134 -8.523 4.115) 9.970 9.811 ( 8.714 -6.802 1.862) 11.210 9.856 ( 2.326 9.163 -1.554) 9.580 10.242 ( -6.773 1.834 -3.849) 8.003 10.336 ( 3.227 -1.790 -1.575) 4.012 10.558 ( -15.893 0.060 11.671) 19.719 10.834 ( -4.112 3.493 -14.348) 15.329 11.301 ( 3.241 5.440 -5.524) 8.402 11.754 ( -2.597 -1.161 -6.331) 6.941 12.023 ( -11.984 -1.566 -1.789) 12.218 12.350 ( 7.338 3.041 9.898) 12.691 12.911 ( -0.162 1.290 -11.452) 11.525 13.229 ( -2.060 6.638 -2.250) 7.305 13.467 ( 2.239 4.336 -1.336) 5.060 13.949 ( -5.483 1.360 -1.424) 5.826 14.583 ( 5.142 11.559 5.093) 13.639 16.774 ( 5.089 -18.257 -0.824) 18.971 ======================= Grid point 175 (75/468) ======================= q-point: ( 0.36 -0.64 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( -10.172 0.000 5.951) 11.785 2.592 ( -12.971 0.000 -10.000) 16.378 2.689 ( 7.552 -0.000 2.898) 8.089 3.155 ( -3.459 0.000 -3.564) 4.966 3.742 ( 10.542 -0.000 2.254) 10.780 4.372 ( -11.702 0.000 1.587) 11.809 4.863 ( 9.393 -0.000 0.943) 9.440 5.174 ( 6.058 -0.000 -4.138) 7.337 5.376 ( 0.128 -0.000 -5.161) 5.162 5.653 ( -13.386 0.000 -5.204) 14.362 6.015 ( -15.409 0.000 1.604) 15.492 6.087 ( -12.564 0.000 -9.907) 16.000 6.782 ( 8.992 -0.000 0.419) 9.002 6.796 ( 6.558 -0.000 4.663) 8.047 7.632 ( 2.186 -0.000 -1.448) 2.622 7.634 ( -1.223 0.000 1.462) 1.906 8.489 ( -3.395 0.000 -3.241) 4.693 8.490 ( -5.064 0.000 -3.488) 6.149 9.301 ( 1.478 -0.000 4.839) 5.059 9.366 ( -1.106 0.000 -1.699) 2.027 9.729 ( -9.312 0.000 1.096) 9.376 9.844 ( -9.640 0.000 -6.910) 11.860 10.409 ( 1.692 -0.000 -3.331) 3.736 10.430 ( 6.494 -0.000 1.806) 6.740 10.515 ( -0.246 0.000 4.693) 4.700 10.941 ( -0.140 0.000 11.639) 11.640 11.469 ( 1.815 -0.000 -15.123) 15.231 11.489 ( 0.712 -0.000 8.867) 8.896 12.234 ( 6.609 -0.000 16.161) 17.461 12.364 ( 11.719 -0.000 -8.582) 14.525 13.091 ( 13.685 -0.000 7.044) 15.391 13.272 ( 25.576 -0.000 -2.650) 25.713 13.789 ( -8.833 0.000 1.834) 9.021 14.181 ( -0.241 0.000 4.427) 4.433 15.315 ( -7.632 0.000 12.206) 14.396 15.825 ( -7.461 0.000 -19.215) 20.613 ======================= Grid point 177 (76/468) ======================= q-point: (-0.55 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -7.964 5.462 5.656) 11.192 2.286 ( -10.071 5.425 -7.977) 13.946 2.881 ( 8.204 -0.190 6.600) 10.531 3.066 ( -1.563 -0.237 -5.947) 6.154 3.960 ( 13.209 -5.363 5.064) 15.129 4.275 ( -4.260 -11.043 -6.501) 13.504 4.932 ( -0.822 16.595 7.144) 18.086 5.168 ( -0.947 3.235 -0.484) 3.405 5.346 ( 1.947 1.793 -0.172) 2.652 5.378 ( -11.317 5.868 -7.653) 14.869 5.665 ( -16.110 11.583 -2.021) 19.944 6.026 ( -11.974 -26.391 -2.513) 29.089 6.890 ( 8.311 2.764 0.734) 8.790 6.934 ( 6.341 0.652 2.289) 6.773 7.577 ( 0.714 6.100 0.059) 6.142 7.769 ( 3.383 -15.795 1.075) 16.189 8.408 ( -2.875 -1.406 -1.104) 3.385 8.431 ( -3.953 -3.686 -2.017) 5.769 9.201 ( 0.120 20.192 0.641) 20.202 9.453 ( -0.758 -4.988 1.720) 5.331 9.607 ( -10.717 1.065 -2.473) 11.050 9.696 ( -5.009 -12.755 -2.597) 13.947 10.374 ( 0.881 1.831 -2.570) 3.277 10.426 ( -4.252 1.205 1.946) 4.828 10.712 ( 16.614 0.217 3.327) 16.945 11.073 ( 0.108 -0.041 5.693) 5.694 11.314 ( 0.634 -0.335 -9.622) 9.648 11.540 ( -6.417 -3.836 3.174) 8.122 12.373 ( 8.442 7.869 -1.985) 11.711 12.497 ( 8.298 -4.741 4.585) 10.600 13.327 ( 10.466 1.881 7.186) 12.834 13.569 ( 9.774 -0.626 -5.643) 11.303 13.751 ( 10.487 2.151 9.452) 14.281 14.180 ( 1.354 0.536 -5.660) 5.844 15.255 ( -11.262 16.350 4.638) 20.388 15.585 ( -10.235 -15.649 -7.436) 20.124 ======================= Grid point 178 (77/468) ======================= q-point: (-0.45 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -2.841 12.024 -0.438) 12.363 2.122 ( -6.928 11.490 6.513) 14.914 2.988 ( 1.930 -2.463 -6.381) 7.107 3.027 ( 1.538 -2.630 3.892) 4.943 4.216 ( 10.531 -4.572 -6.550) 13.218 4.328 ( 3.439 -19.521 0.485) 19.827 4.672 ( -11.948 29.704 5.159) 32.430 5.123 ( -1.997 13.097 1.323) 13.315 5.192 ( -2.752 -2.953 1.052) 4.172 5.377 ( -1.081 2.807 4.559) 5.462 5.422 ( -9.293 6.018 1.766) 11.211 6.162 ( -5.005 -27.841 2.732) 28.419 6.939 ( 4.249 3.033 -2.088) 5.623 6.961 ( 2.646 6.510 -1.785) 7.250 7.570 ( 2.186 -1.214 -1.220) 2.782 7.981 ( 3.045 -22.482 -1.562) 22.741 8.410 ( -1.570 -4.745 0.700) 5.047 8.418 ( -2.320 -5.215 1.347) 5.865 9.017 ( -0.204 22.551 -0.129) 22.552 9.452 ( -2.714 2.683 3.337) 5.069 9.472 ( -5.592 1.227 1.471) 5.911 9.816 ( -0.302 -19.196 0.233) 19.200 10.354 ( 1.054 2.704 0.964) 3.058 10.378 ( -3.172 2.680 0.349) 4.167 10.921 ( 13.153 3.272 -4.790) 14.376 11.029 ( 3.342 -1.429 -7.228) 8.091 11.283 ( -6.091 3.610 6.660) 9.720 11.543 ( -4.548 -11.518 1.744) 12.505 12.352 ( 4.963 11.135 -2.304) 12.407 12.644 ( 5.266 -4.800 -2.684) 7.614 13.454 ( 1.658 2.078 -6.167) 6.716 13.497 ( 0.924 1.045 4.375) 4.592 14.050 ( 8.674 2.900 -14.421) 17.077 14.106 ( 11.738 0.971 3.548) 12.301 14.980 ( -9.540 18.662 3.260) 21.211 15.603 ( -9.298 -16.082 5.870) 19.481 ======================= Grid point 179 (78/468) ======================= q-point: (-0.36 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -1.232 18.915 5.782) 19.818 2.002 ( -0.408 17.911 7.845) 19.558 3.016 ( 5.262 -9.201 -3.818) 11.266 3.080 ( -5.762 -9.137 1.619) 10.923 4.039 ( 0.280 25.793 -9.617) 27.529 4.521 ( -4.244 -17.686 -0.502) 18.195 4.587 ( 3.532 -0.123 6.264) 7.192 5.046 ( 2.208 8.107 4.653) 9.605 5.245 ( -3.252 1.569 4.833) 6.033 5.307 ( 4.185 3.467 1.799) 5.724 5.472 ( -1.484 5.461 13.510) 14.647 6.404 ( 0.573 -22.005 5.356) 22.655 6.872 ( -0.201 6.106 -4.341) 7.495 6.897 ( -0.252 3.543 -4.171) 5.479 7.576 ( -0.723 -4.073 -4.587) 6.177 8.152 ( 1.266 -23.306 -6.975) 24.360 8.463 ( 1.093 -5.570 1.088) 5.780 8.491 ( -1.220 -7.585 3.612) 8.489 8.843 ( 0.183 19.146 2.969) 19.375 9.441 ( 0.606 2.907 3.506) 4.594 9.518 ( -1.249 1.725 10.881) 11.087 9.959 ( -0.032 -15.675 -1.782) 15.776 10.308 ( -1.278 4.537 -1.903) 5.083 10.378 ( 0.826 3.414 4.507) 5.714 10.802 ( 1.947 1.275 -14.792) 14.974 11.076 ( -2.835 0.679 0.386) 2.941 11.275 ( 0.893 0.666 5.562) 5.672 11.666 ( 0.524 -12.437 2.504) 12.698 12.233 ( -1.613 11.871 -4.269) 12.718 12.634 ( 1.224 -2.778 -9.292) 9.775 13.364 ( 5.099 4.480 -10.743) 12.708 13.519 ( -5.909 0.945 3.164) 6.769 13.864 ( 9.995 4.428 -22.700) 25.195 14.124 ( -9.506 1.621 -1.957) 9.840 14.884 ( 0.757 18.589 12.443) 22.382 15.787 ( 0.670 -16.390 10.801) 19.640 ======================= Grid point 180 (79/468) ======================= q-point: (-0.27 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -4.814 19.788 8.247) 21.972 2.013 ( 7.786 22.952 10.692) 26.490 3.098 ( -7.641 -16.692 1.865) 18.452 3.204 ( 8.875 -13.835 0.832) 16.458 3.732 ( 1.339 26.720 -3.075) 26.930 4.610 ( 5.614 2.433 -1.343) 6.264 4.667 ( -5.756 -17.549 2.406) 18.625 5.084 ( 4.294 8.156 1.259) 9.303 5.280 ( 4.126 1.920 4.708) 6.548 5.437 ( 6.866 1.119 7.500) 10.229 5.576 ( -3.039 6.302 14.994) 16.546 6.629 ( -2.528 -10.117 2.986) 10.847 6.785 ( -0.286 -0.501 -5.767) 5.796 6.799 ( 2.078 0.835 -2.305) 3.214 7.511 ( -2.923 -1.686 -3.969) 5.210 8.248 ( 0.127 -19.056 -7.608) 20.519 8.479 ( -0.852 4.853 -1.089) 5.047 8.607 ( 1.274 -10.322 2.595) 10.719 8.837 ( 3.703 3.966 8.475) 10.063 9.501 ( 3.301 3.154 4.753) 6.590 9.612 ( -2.507 -0.187 7.639) 8.043 10.033 ( 1.511 -5.526 -2.381) 6.204 10.244 ( 1.727 1.916 -3.036) 3.984 10.397 ( -0.816 4.143 2.009) 4.676 10.639 ( -6.794 0.702 -4.012) 7.921 11.000 ( -6.460 -2.450 -2.364) 7.302 11.382 ( 4.816 -2.010 1.939) 5.568 11.733 ( -2.410 -5.109 -7.010) 9.002 12.073 ( -2.338 2.534 -1.883) 3.929 12.522 ( -1.244 4.018 -6.866) 8.051 13.172 ( -0.515 7.589 -13.933) 15.874 13.453 ( -2.601 1.346 -4.332) 5.228 13.666 ( 2.308 7.409 -11.550) 13.915 13.994 ( -7.366 -1.445 1.012) 7.574 14.868 ( -0.137 16.820 7.427) 18.387 16.135 ( 8.561 -17.435 9.743) 21.730 ======================= Grid point 181 (80/468) ======================= q-point: (-0.18 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -3.890 15.684 12.725) 20.568 2.070 ( 8.447 19.524 11.933) 24.392 3.193 ( -7.524 -19.532 0.273) 20.933 3.499 ( 13.073 -16.044 2.700) 20.871 3.577 ( 6.438 18.927 4.741) 20.547 4.605 ( 2.114 10.171 2.949) 10.798 4.798 ( 1.457 -18.573 -4.687) 19.211 5.052 ( 2.260 7.014 -0.475) 7.385 5.343 ( 4.163 7.478 1.676) 8.722 5.631 ( 8.379 -0.426 7.548) 11.286 5.645 ( -5.024 6.915 12.936) 15.505 6.559 ( -4.378 3.285 -3.874) 6.706 6.693 ( -2.550 -2.361 -4.153) 5.415 6.912 ( -0.684 -7.810 0.583) 7.862 7.520 ( 5.921 -1.823 2.961) 6.867 8.294 ( -1.297 -12.751 -5.410) 13.912 8.390 ( 0.017 9.974 -0.253) 9.977 8.736 ( 0.066 -10.253 1.772) 10.405 8.983 ( 3.365 -1.394 4.851) 6.067 9.522 ( -4.420 -1.487 2.633) 5.355 9.722 ( 7.988 -2.846 3.890) 9.329 10.018 ( 2.927 7.432 -2.941) 8.512 10.265 ( 2.188 -5.207 -0.567) 5.677 10.288 ( -7.037 2.921 -5.822) 9.589 10.571 ( -10.410 1.581 10.738) 15.039 10.864 ( -4.915 -0.036 -10.546) 11.636 11.410 ( 1.530 4.609 -5.233) 7.139 11.603 ( -2.723 -9.261 -9.329) 13.424 12.029 ( -8.281 -0.843 -1.432) 8.446 12.446 ( 2.361 6.272 5.942) 8.956 12.951 ( -1.168 3.835 -11.992) 12.644 13.325 ( -1.485 4.376 -4.784) 6.652 13.555 ( 1.530 5.746 -2.452) 6.432 13.949 ( -5.214 -1.212 0.510) 5.377 14.802 ( 1.910 13.193 2.265) 13.521 16.475 ( 7.992 -16.107 3.452) 18.309 ======================= Grid point 182 (81/468) ======================= q-point: (-0.09 0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( -4.229 7.648 17.476) 19.539 2.187 ( 8.026 11.901 10.978) 18.071 3.193 ( -7.633 -12.195 -4.405) 15.046 3.667 ( 7.418 2.903 7.082) 10.659 3.860 ( 14.821 -9.477 5.456) 18.419 4.558 ( -0.844 7.961 0.881) 8.054 4.846 ( 9.123 -0.221 -9.482) 13.160 5.078 ( -1.138 -4.300 3.919) 5.928 5.303 ( 3.199 7.899 -2.707) 8.942 5.650 ( -6.489 6.043 8.984) 12.623 5.820 ( 6.869 -0.651 5.619) 8.899 6.432 ( -1.873 5.414 -3.062) 6.496 6.653 ( -0.728 -5.319 -5.428) 7.635 6.907 ( -5.953 -3.945 0.404) 7.153 7.721 ( 10.446 -1.768 5.476) 11.925 8.305 ( -3.221 2.421 3.645) 5.433 8.336 ( 3.431 -1.081 -3.348) 4.914 8.804 ( -2.305 -6.533 -1.111) 7.016 9.019 ( 1.029 3.029 0.197) 3.205 9.554 ( -5.273 -10.061 2.553) 11.642 9.904 ( 2.773 -3.650 3.308) 5.653 9.948 ( 6.994 6.791 -3.554) 10.376 10.094 ( -5.194 2.647 -5.235) 7.835 10.350 ( 2.741 -5.091 1.584) 5.995 10.501 ( -14.604 4.552 4.101) 15.837 10.716 ( 1.881 1.920 -3.743) 4.608 11.286 ( -1.545 4.053 -4.868) 6.520 11.562 ( -3.877 -10.156 -8.071) 13.540 11.856 ( -10.886 2.854 -1.169) 11.315 12.605 ( 5.742 1.212 12.042) 13.396 12.754 ( -4.461 2.858 -9.360) 10.756 13.256 ( 1.736 3.532 -2.392) 4.606 13.526 ( 3.367 3.771 -0.275) 5.063 13.872 ( -4.988 1.602 -2.336) 5.736 14.777 ( 4.296 7.657 2.374) 9.095 16.676 ( 4.993 -11.798 -3.358) 13.244 ======================= Grid point 188 (82/468) ======================= q-point: ( 0.45 -0.55 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -3.337 0.000 -0.031) 3.337 2.210 ( -6.726 0.000 6.508) 9.359 2.991 ( 2.446 -0.000 -7.406) 7.799 3.027 ( 2.781 -0.000 3.337) 4.344 4.115 ( 1.772 -0.000 -8.583) 8.764 4.135 ( 7.064 -0.000 5.178) 8.759 5.060 ( -7.561 0.000 -3.257) 8.232 5.091 ( -4.608 0.000 8.837) 9.967 5.339 ( 3.015 -0.000 -1.607) 3.417 5.391 ( -0.659 0.000 -0.008) 0.660 5.605 ( -4.360 0.000 3.951) 5.884 5.693 ( -13.347 0.000 6.621) 14.899 6.985 ( 5.673 -0.000 -2.482) 6.192 7.003 ( 3.076 -0.000 -2.344) 3.867 7.666 ( 1.410 -0.000 -0.432) 1.474 7.672 ( 0.585 -0.000 -0.717) 0.925 8.368 ( -1.622 0.000 0.979) 1.894 8.373 ( -2.285 0.000 1.133) 2.551 9.359 ( 4.096 -0.000 -1.573) 4.388 9.430 ( -1.844 0.000 -2.977) 3.502 9.477 ( -2.635 0.000 4.300) 5.043 9.555 ( -7.795 0.000 4.740) 9.123 10.377 ( 0.924 -0.000 0.683) 1.149 10.401 ( -3.034 0.000 0.528) 3.080 10.962 ( 15.962 -0.000 2.175) 16.110 11.005 ( 2.036 -0.000 -15.561) 15.694 11.344 ( 1.181 -0.000 9.185) 9.261 11.414 ( -12.703 0.000 0.358) 12.708 12.486 ( 9.893 -0.000 -4.926) 11.052 12.564 ( 0.632 -0.000 -0.203) 0.663 13.472 ( -0.582 0.000 -7.920) 7.941 13.506 ( 2.124 -0.000 6.752) 7.078 14.076 ( 5.509 -0.000 -17.635) 18.475 14.114 ( 14.662 -0.000 6.853) 16.185 15.240 ( -4.819 0.000 -4.654) 6.699 15.366 ( -12.805 0.000 13.133) 18.342 ======================= Grid point 190 (83/468) ======================= q-point: (-0.45 0.45 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -6.405 5.305 7.006) 10.875 2.207 ( 4.683 5.594 7.944) 10.786 2.947 ( 6.211 -0.017 -7.298) 9.583 3.016 ( -5.985 0.177 -0.809) 6.042 4.070 ( 4.275 -6.120 -11.731) 13.905 4.221 ( -8.032 -11.268 1.346) 13.903 4.956 ( 6.237 21.466 7.020) 23.430 5.161 ( 2.124 0.281 2.044) 2.961 5.289 ( -4.301 8.342 6.189) 11.242 5.357 ( 2.737 1.679 -1.764) 3.664 5.579 ( -2.036 9.730 14.697) 17.743 5.960 ( 0.095 -28.255 10.564) 30.165 6.932 ( -0.643 3.023 -7.182) 7.819 6.972 ( 0.201 1.496 -5.513) 5.716 7.581 ( -0.142 6.161 -1.412) 6.322 7.794 ( 0.649 -17.556 -2.508) 17.746 8.393 ( 0.719 -2.163 2.424) 3.328 8.399 ( -0.440 -2.919 3.201) 4.355 9.204 ( 0.167 21.237 -0.885) 21.256 9.463 ( 2.551 -2.661 1.614) 4.024 9.540 ( -3.208 0.910 8.965) 9.565 9.666 ( 0.365 -15.739 3.976) 16.237 10.361 ( -1.717 1.550 -1.282) 2.645 10.418 ( 1.193 1.216 4.244) 4.573 10.822 ( 3.134 0.731 -17.098) 17.398 11.085 ( -4.317 0.271 -0.288) 4.335 11.288 ( 0.296 0.704 0.304) 0.822 11.511 ( 1.633 -5.072 8.571) 10.092 12.408 ( -3.645 8.041 -8.431) 12.208 12.565 ( 2.972 -4.906 -5.670) 8.066 13.417 ( 7.057 1.640 -7.649) 10.535 13.525 ( -7.243 -0.014 1.004) 7.313 13.918 ( 10.788 1.712 -20.775) 23.472 14.143 ( -10.751 0.573 -2.830) 11.132 15.199 ( 0.758 18.170 10.938) 21.221 15.501 ( 0.493 -17.200 10.027) 19.916 ======================= Grid point 191 (84/468) ======================= q-point: (-0.36 0.45 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.121 ( -6.296 11.387 5.595) 14.164 2.353 ( 10.219 14.622 11.769) 21.371 2.887 ( -9.837 -6.335 -2.760) 12.021 3.021 ( 8.713 -7.152 -1.706) 11.401 3.950 ( -2.454 2.146 -11.532) 11.984 4.262 ( -3.802 -20.505 -2.039) 20.954 4.951 ( 4.439 26.279 11.320) 28.956 5.214 ( 6.615 6.556 2.180) 9.565 5.314 ( 3.552 1.640 5.634) 6.859 5.439 ( 5.882 -1.090 4.798) 7.669 5.681 ( -2.164 6.128 14.818) 16.181 6.334 ( 3.602 -21.636 9.644) 23.960 6.793 ( -1.695 1.084 -8.140) 8.385 6.850 ( -3.403 2.810 -6.860) 8.157 7.517 ( -0.616 3.466 -1.109) 3.690 7.921 ( 0.638 -18.151 -2.771) 18.372 8.471 ( 0.916 -3.350 2.561) 4.315 8.478 ( 2.696 -4.438 2.646) 5.828 9.051 ( 0.733 17.855 3.481) 18.206 9.557 ( 5.209 1.952 4.220) 6.983 9.592 ( -5.948 -2.940 5.630) 8.702 9.856 ( 3.234 -11.456 4.014) 12.562 10.303 ( 0.414 3.074 -3.306) 4.534 10.458 ( -0.527 2.665 1.687) 3.198 10.665 ( -0.933 2.173 -7.438) 7.805 10.940 ( -12.758 -4.279 -1.742) 13.569 11.337 ( 4.906 -2.331 -4.210) 6.872 11.660 ( 1.546 -2.864 4.431) 5.498 12.145 ( -6.051 4.295 -11.503) 13.689 12.550 ( 0.140 0.075 -3.140) 3.144 13.291 ( -2.954 5.966 -12.345) 14.026 13.455 ( 2.998 -1.078 -7.386) 8.044 13.783 ( 2.424 6.075 -10.774) 12.604 13.961 ( -10.896 -2.471 0.455) 11.182 15.138 ( -4.500 14.074 5.462) 15.753 15.867 ( 11.954 -13.661 10.933) 21.191 ======================= Grid point 192 (85/468) ======================= q-point: (-0.27 0.45 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -5.355 12.017 5.679) 14.330 2.429 ( 6.775 21.548 7.755) 23.882 2.886 ( -4.906 -15.554 2.510) 16.502 3.251 ( 11.990 -12.582 2.895) 17.619 3.767 ( -1.773 4.895 -5.356) 7.470 4.406 ( 1.951 -23.237 -4.044) 23.667 4.908 ( 0.072 21.702 10.385) 24.059 5.215 ( 5.946 10.017 -3.251) 12.094 5.447 ( 5.771 4.048 6.943) 9.894 5.606 ( 7.669 -2.418 5.396) 9.684 5.761 ( -3.877 6.642 11.843) 14.121 6.565 ( -2.026 -4.577 1.837) 5.332 6.696 ( -2.750 2.337 -5.414) 6.507 6.738 ( 0.803 -9.365 -2.883) 9.831 7.516 ( 4.623 1.550 2.499) 5.479 8.048 ( 0.530 -15.836 -1.476) 15.914 8.508 ( 0.633 2.563 0.615) 2.711 8.589 ( 2.159 -5.844 2.750) 6.810 9.027 ( 3.189 8.083 5.958) 10.535 9.528 ( -8.350 0.860 0.389) 8.403 9.691 ( 6.511 -1.749 3.048) 7.399 10.025 ( 2.754 -6.482 3.604) 7.911 10.242 ( 2.768 3.243 -4.966) 6.546 10.349 ( -6.073 4.274 -6.195) 9.671 10.602 ( -8.481 1.817 8.574) 12.196 10.832 ( -4.398 -3.881 -6.022) 8.407 11.326 ( -0.744 -9.011 -7.951) 12.040 11.627 ( -0.956 7.246 -7.268) 10.308 11.992 ( -4.572 -2.962 -2.569) 6.023 12.517 ( -1.027 1.921 2.581) 3.377 13.042 ( -3.900 6.185 -10.546) 12.832 13.375 ( 1.475 1.477 -8.084) 8.349 13.657 ( -0.369 6.093 -2.130) 6.466 13.912 ( -4.852 -3.071 0.933) 5.817 15.006 ( -3.049 10.090 -1.366) 10.629 16.241 ( 11.695 -10.919 7.245) 17.564 ======================= Grid point 193 (86/468) ======================= q-point: (-0.18 0.45 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( -5.227 7.416 7.560) 11.809 2.416 ( 3.443 13.640 5.816) 15.222 2.991 ( -2.410 -9.479 0.987) 9.831 3.536 ( 9.012 -12.305 1.107) 15.292 3.785 ( 7.392 -2.756 6.806) 10.418 4.594 ( 5.880 -22.070 -4.715) 23.321 4.820 ( -3.087 19.394 5.313) 20.344 5.138 ( 4.229 8.975 -4.075) 10.726 5.519 ( 4.083 10.911 3.631) 12.203 5.750 ( -6.650 5.525 5.921) 10.479 5.785 ( 6.971 -2.423 4.034) 8.410 6.505 ( -3.516 2.493 -1.868) 4.698 6.605 ( 0.674 0.618 -5.254) 5.333 6.801 ( -3.452 -7.226 0.624) 8.033 7.683 ( 10.867 -2.604 5.957) 12.663 8.164 ( 0.589 -11.100 0.531) 11.128 8.476 ( 0.036 8.031 2.034) 8.284 8.685 ( -0.024 -6.010 1.463) 6.185 9.077 ( 3.606 4.041 1.002) 5.508 9.429 ( -8.841 -4.213 0.803) 9.827 9.823 ( 5.266 -4.755 1.041) 7.172 10.065 ( -0.352 4.598 -1.749) 4.931 10.163 ( -3.135 4.849 -5.647) 8.076 10.248 ( 3.029 -4.816 0.926) 5.765 10.556 ( -12.134 1.417 4.020) 12.861 10.750 ( 1.507 1.802 -2.715) 3.590 11.291 ( -3.942 -9.911 -7.906) 13.277 11.449 ( -1.408 4.996 -5.718) 7.722 11.897 ( -7.510 0.385 -3.246) 8.190 12.606 ( 1.105 -0.994 11.417) 11.514 12.830 ( -4.059 5.837 -7.614) 10.417 13.304 ( 1.998 1.909 -4.677) 5.432 13.601 ( 1.911 4.936 -0.827) 5.357 13.876 ( -5.387 -1.004 -0.076) 5.480 14.887 ( 0.680 4.712 -4.090) 6.276 16.508 ( 8.971 -7.442 1.952) 11.818 ======================= Grid point 194 (87/468) ======================= q-point: (-0.09 0.45 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -7.279 -0.442 8.927) 11.527 2.426 ( 1.743 6.328 3.446) 7.413 3.014 ( -2.819 -4.245 0.754) 5.151 3.727 ( 6.436 -9.403 -0.917) 11.432 4.032 ( 6.125 -4.100 6.770) 10.008 4.644 ( -4.209 15.218 0.149) 15.790 4.824 ( 12.422 -17.117 -3.036) 21.367 5.101 ( 3.047 1.914 -1.838) 4.041 5.419 ( -0.303 18.664 -2.795) 18.875 5.677 ( -8.254 2.420 4.282) 9.609 5.915 ( 4.321 -2.890 1.432) 5.392 6.431 ( -2.363 2.170 -0.427) 3.236 6.563 ( 3.408 0.211 -4.797) 5.889 6.801 ( -2.378 -3.906 -2.186) 5.069 7.893 ( 6.696 -0.234 4.269) 7.944 8.273 ( 1.404 -8.680 2.258) 9.078 8.437 ( -1.414 9.530 5.046) 10.876 8.704 ( -2.160 -3.557 -2.971) 5.113 9.091 ( 5.143 3.705 0.307) 6.347 9.387 ( -10.682 -8.933 1.141) 13.972 9.874 ( -3.021 -1.382 -0.001) 3.323 10.029 ( 5.166 3.723 -3.888) 7.461 10.070 ( 4.402 0.127 -3.099) 5.385 10.375 ( 3.638 -6.076 3.896) 8.083 10.415 ( -9.022 4.510 0.938) 10.130 10.755 ( -0.282 1.700 2.927) 3.396 11.188 ( -4.930 -4.429 -5.839) 8.832 11.403 ( -1.050 -1.116 0.587) 1.640 11.759 ( -5.073 2.874 -2.488) 6.339 12.639 ( -5.804 4.593 -3.965) 8.397 12.789 ( 1.427 -0.684 9.339) 9.472 13.253 ( 2.848 1.733 -6.209) 7.047 13.605 ( 2.335 3.044 2.135) 4.390 13.801 ( -3.226 0.513 -1.732) 3.697 14.856 ( 2.254 -1.061 -1.377) 2.846 16.639 ( 6.321 -2.846 -3.187) 7.630 ======================= Grid point 201 (88/468) ======================= q-point: (-0.45 0.55 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -6.432 0.000 5.417) 8.409 2.466 ( 10.167 -0.000 13.653) 17.023 2.872 ( -10.730 0.000 -3.585) 11.313 2.954 ( 9.365 -0.000 -6.739) 11.538 3.983 ( 7.840 -0.000 -11.554) 13.963 4.029 ( -13.865 0.000 0.957) 13.898 5.246 ( -4.866 0.000 12.349) 13.274 5.285 ( 13.683 -0.000 6.322) 15.073 5.332 ( 1.181 -0.000 1.079) 1.599 5.412 ( 7.620 -0.000 -0.814) 7.664 5.784 ( -1.852 0.000 11.775) 11.919 6.044 ( 6.067 -0.000 17.068) 18.114 6.806 ( -2.842 0.000 -9.500) 9.915 6.873 ( -2.686 0.000 -7.756) 8.208 7.623 ( 0.175 -0.000 -1.293) 1.305 7.684 ( 0.202 -0.000 1.026) 1.046 8.438 ( 2.045 -0.000 2.923) 3.567 8.439 ( 2.612 -0.000 3.202) 4.132 9.317 ( -1.287 0.000 0.835) 1.534 9.441 ( 0.116 -0.000 0.423) 0.439 9.598 ( -0.812 0.000 6.440) 6.491 9.753 ( 4.553 -0.000 9.200) 10.265 10.329 ( -0.111 0.000 -2.909) 2.911 10.482 ( -0.391 0.000 1.939) 1.978 10.692 ( 4.944 -0.000 -9.743) 10.926 10.891 ( -19.011 0.000 -1.206) 19.049 11.317 ( 4.967 -0.000 -6.647) 8.298 11.636 ( 3.001 -0.000 8.238) 8.767 12.186 ( -7.536 0.000 -14.716) 16.533 12.547 ( 0.837 -0.000 -1.722) 1.915 13.354 ( -8.368 0.000 -9.123) 12.380 13.434 ( 9.857 -0.000 -10.822) 14.638 13.851 ( 8.648 -0.000 -12.336) 15.065 13.925 ( -18.525 0.000 2.202) 18.655 15.286 ( -10.836 0.000 2.515) 11.124 15.724 ( 17.937 -0.000 13.582) 22.499 ======================= Grid point 203 (89/468) ======================= q-point: (-0.36 0.55 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -6.270 4.876 1.572) 8.097 2.674 ( -9.723 -4.562 -2.168) 10.957 2.777 ( 12.843 13.438 12.615) 22.465 3.066 ( 10.915 -9.273 0.030) 14.322 3.840 ( -4.430 6.062 -3.533) 8.298 4.050 ( 2.673 -16.964 -5.210) 17.947 5.222 ( -10.483 11.335 11.601) 19.312 5.375 ( 8.229 7.545 -2.552) 11.452 5.468 ( 6.811 -1.655 3.779) 7.962 5.567 ( 6.424 -1.368 6.358) 9.142 5.875 ( 1.575 6.221 7.693) 10.018 6.377 ( 5.515 -11.776 11.198) 17.160 6.679 ( -1.156 -0.178 -5.873) 5.988 6.741 ( -0.876 1.893 -6.933) 7.240 7.584 ( 1.581 6.453 2.250) 7.015 7.787 ( -0.012 -13.151 2.164) 13.328 8.504 ( 2.509 -0.605 2.385) 3.515 8.533 ( 4.547 -1.760 2.683) 5.565 9.236 ( -1.042 13.886 3.572) 14.376 9.484 ( -6.345 -7.773 0.199) 10.035 9.657 ( 3.312 -1.119 1.098) 3.664 9.925 ( 3.436 -3.213 6.789) 8.260 10.288 ( 2.484 1.388 -5.089) 5.830 10.430 ( -1.889 4.055 -4.501) 6.346 10.631 ( -13.814 1.478 3.312) 14.282 10.743 ( -0.832 -5.169 -0.197) 5.239 11.221 ( -1.305 -2.945 -12.307) 12.722 11.734 ( 2.069 4.132 0.849) 4.699 11.943 ( -5.948 -2.238 -9.276) 11.245 12.529 ( -1.527 0.060 1.147) 1.911 13.131 ( -7.273 3.259 -7.672) 11.063 13.383 ( 5.317 -0.176 -11.532) 12.700 13.758 ( -3.201 5.634 -0.334) 6.488 13.847 ( -3.416 -4.549 -0.400) 5.703 15.128 ( -7.900 3.820 -4.787) 9.996 16.112 ( 15.584 -3.951 10.596) 19.255 ======================= Grid point 204 (90/468) ======================= q-point: (-0.27 0.55 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.045 ( -6.103 4.278 -0.484) 7.468 2.555 ( -5.713 0.627 -1.261) 5.884 2.966 ( 9.493 8.066 7.760) 14.676 3.344 ( 10.173 -9.744 4.815) 14.887 3.760 ( 1.478 1.158 2.568) 3.181 4.208 ( 4.651 -21.592 -3.587) 22.377 5.127 ( -8.222 14.129 8.413) 18.385 5.310 ( 5.369 10.719 -7.091) 13.928 5.598 ( 1.096 -1.555 5.616) 5.930 5.697 ( 0.595 -4.343 2.920) 5.267 5.897 ( 2.397 7.640 1.685) 8.182 6.541 ( 0.310 0.514 -0.022) 0.601 6.622 ( -0.944 1.079 -2.324) 2.730 6.718 ( 5.213 -1.266 0.277) 5.371 7.651 ( 6.304 -0.387 5.131) 8.137 7.942 ( -0.024 -13.626 4.122) 14.236 8.562 ( 1.964 1.883 2.825) 3.922 8.629 ( 3.451 -0.875 2.143) 4.156 9.177 ( 0.132 7.903 2.354) 8.247 9.393 ( -9.364 -1.274 -2.561) 9.791 9.736 ( 2.817 -5.514 -0.370) 6.203 10.042 ( 0.963 -4.593 1.552) 4.943 10.233 ( 4.173 2.708 -8.465) 9.818 10.287 ( -4.205 8.038 1.124) 9.141 10.542 ( -10.144 -3.232 3.081) 11.084 10.773 ( 0.498 0.737 0.814) 1.205 11.107 ( -2.591 -8.806 -8.524) 12.527 11.594 ( -2.490 9.490 -6.704) 11.883 11.861 ( -3.667 -4.386 -4.292) 7.149 12.584 ( -0.585 -1.246 9.545) 9.643 12.930 ( -7.720 5.063 -3.954) 10.044 13.320 ( 4.584 0.168 -8.109) 9.317 13.689 ( 0.073 5.173 -0.587) 5.207 13.840 ( -4.991 -3.080 1.621) 6.085 14.935 ( -3.681 1.261 -9.779) 10.525 16.424 ( 12.642 -2.663 6.301) 14.375 ======================= Grid point 205 (91/468) ======================= q-point: (-0.18 0.55 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -7.816 -0.562 -1.082) 7.910 2.484 ( -4.279 0.073 -0.690) 4.335 3.056 ( 5.172 8.780 4.037) 10.960 3.537 ( 4.871 -10.117 0.892) 11.264 3.950 ( 7.951 -4.916 9.371) 13.237 4.446 ( 7.651 -23.223 -0.883) 24.467 4.950 ( -7.885 17.901 1.556) 19.622 5.208 ( 5.639 8.457 -5.976) 11.791 5.633 ( -4.910 3.489 3.811) 7.128 5.694 ( -5.884 -2.218 -2.942) 6.942 5.891 ( 3.180 2.367 0.239) 3.971 6.486 ( -0.577 7.016 -1.738) 7.251 6.576 ( 0.962 -0.822 -2.819) 3.090 6.783 ( 4.201 1.833 -0.843) 4.661 7.835 ( 5.487 -5.176 5.977) 9.624 8.109 ( 0.634 -10.947 4.193) 11.740 8.587 ( 0.861 7.215 4.797) 8.707 8.670 ( -0.057 0.186 -0.234) 0.305 9.155 ( 3.264 3.189 -0.757) 4.625 9.267 ( -9.835 -4.336 -1.077) 10.802 9.803 ( 1.854 -5.896 -1.154) 6.288 10.054 ( -0.907 -0.491 -1.140) 1.538 10.138 ( 2.979 4.943 -6.540) 8.722 10.302 ( 4.404 -0.677 3.497) 5.664 10.468 ( -7.202 1.490 1.339) 7.475 10.775 ( -1.599 0.708 1.914) 2.593 11.054 ( -5.121 -9.406 -6.434) 12.494 11.468 ( 1.101 7.240 1.514) 7.478 11.786 ( -2.829 -0.309 -3.382) 4.420 12.705 ( -9.870 1.892 8.645) 13.257 12.784 ( 1.384 1.289 0.928) 2.107 13.274 ( 4.325 0.660 -8.456) 9.521 13.664 ( 0.963 3.631 1.836) 4.181 13.800 ( -5.981 -0.597 0.597) 6.040 14.803 ( 0.247 -4.548 -9.473) 10.511 16.626 ( 10.080 0.820 1.921) 10.294 ======================= Grid point 206 (92/468) ======================= q-point: (-0.09 -0.45 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -10.899 -7.588 -0.384) 13.286 2.403 ( -6.482 -2.686 -3.789) 7.974 3.091 ( 3.519 7.968 5.848) 10.491 3.677 ( 3.062 -10.362 -3.406) 11.329 4.130 ( 2.768 -0.009 3.621) 4.558 4.699 ( -6.267 13.216 -0.291) 14.629 4.755 ( 6.360 -20.129 -1.254) 21.147 5.171 ( 8.817 4.991 -3.567) 10.741 5.459 ( -6.013 12.323 -6.044) 14.984 5.611 ( -10.596 -0.809 3.986) 11.350 5.920 ( 1.103 -3.646 -2.061) 4.331 6.416 ( -1.078 1.378 -0.348) 1.784 6.592 ( 4.655 0.215 -1.312) 4.841 6.762 ( 2.948 4.654 -5.003) 7.442 7.957 ( -1.820 -1.999 2.804) 3.895 8.233 ( 0.164 -9.246 1.715) 9.405 8.546 ( -5.532 9.547 1.930) 11.202 8.658 ( 3.738 1.849 -0.227) 4.176 9.203 ( -6.418 -5.979 -0.021) 8.771 9.216 ( 6.086 0.826 3.305) 6.975 9.846 ( 1.223 -2.264 -1.048) 2.779 10.039 ( 0.243 -1.311 -1.057) 1.701 10.104 ( 6.691 1.945 -2.953) 7.567 10.361 ( -3.362 2.271 -3.011) 5.052 10.434 ( -0.722 -1.250 7.879) 8.011 10.778 ( -2.281 -1.659 2.787) 3.965 11.015 ( -1.574 -9.210 -2.905) 9.785 11.513 ( 3.253 5.885 8.041) 10.482 11.728 ( -0.778 3.770 0.055) 3.850 12.573 ( -3.952 4.050 -4.029) 6.947 12.859 ( -4.910 0.226 6.398) 8.069 13.208 ( 4.345 0.308 -9.394) 10.354 13.671 ( -2.618 3.036 3.853) 5.561 13.774 ( 0.739 -2.318 1.954) 3.120 14.782 ( 0.458 -9.792 -5.185) 11.090 16.709 ( 7.731 5.614 -2.034) 9.768 ======================= Grid point 214 (93/468) ======================= q-point: (-0.36 0.64 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( -6.531 0.000 -3.864) 7.589 2.536 ( -6.480 0.000 -0.740) 6.522 3.113 ( 9.437 -0.000 -0.662) 9.460 3.219 ( 13.812 -0.000 14.698) 20.169 3.830 ( -7.095 0.000 5.142) 8.763 3.944 ( 9.846 -0.000 -7.552) 12.409 5.255 ( -11.385 0.000 9.841) 15.049 5.455 ( 4.675 -0.000 -4.464) 6.465 5.522 ( 8.293 -0.000 -6.296) 10.412 5.662 ( -9.255 0.000 11.878) 15.058 5.968 ( 3.207 -0.000 -2.554) 4.100 6.515 ( 6.484 -0.000 2.125) 6.823 6.670 ( 1.244 -0.000 5.364) 5.507 6.706 ( 6.575 -0.000 -6.264) 9.081 7.672 ( 0.836 -0.000 3.929) 4.017 7.784 ( 1.182 -0.000 6.880) 6.980 8.574 ( 3.513 -0.000 2.939) 4.580 8.622 ( 4.750 -0.000 2.802) 5.515 9.295 ( -7.851 0.000 2.718) 8.308 9.355 ( -4.084 0.000 -3.854) 5.616 9.673 ( 2.865 -0.000 -1.335) 3.161 9.997 ( 1.340 -0.000 1.594) 2.083 10.257 ( 4.643 -0.000 -8.347) 9.551 10.420 ( -0.217 0.000 -0.475) 0.522 10.457 ( -14.073 0.000 4.889) 14.898 10.778 ( -0.081 0.000 3.306) 3.307 11.029 ( -1.855 0.000 -10.560) 10.721 11.725 ( -6.852 0.000 -7.132) 9.890 11.775 ( 1.759 -0.000 -4.149) 4.507 12.572 ( -0.896 0.000 8.932) 8.977 12.977 ( -10.230 0.000 -2.023) 10.428 13.319 ( 6.579 -0.000 -10.183) 12.124 13.767 ( 3.728 -0.000 -7.005) 7.935 13.781 ( -9.179 0.000 8.885) 12.775 14.943 ( -5.604 0.000 -11.994) 13.238 16.404 ( 14.118 -0.000 7.944) 16.199 ======================= Grid point 216 (94/468) ======================= q-point: (-0.27 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( -7.912 -0.304 -6.718) 10.384 2.464 ( -4.960 -1.196 -1.757) 5.396 3.204 ( 8.091 4.174 1.080) 9.168 3.470 ( 5.046 3.440 5.042) 7.919 3.865 ( 1.493 -5.347 7.741) 9.526 4.114 ( 11.002 -12.262 2.518) 16.666 5.189 ( -8.945 8.282 4.305) 12.929 5.371 ( 5.171 10.509 -7.937) 14.148 5.555 ( 4.047 -10.002 -9.294) 14.241 5.652 ( -16.414 -1.117 12.378) 20.589 5.937 ( 0.196 1.332 -3.350) 3.611 6.549 ( 1.386 -1.336 -3.705) 4.175 6.657 ( 4.980 9.634 -5.732) 12.267 6.806 ( 5.378 -0.651 2.876) 6.134 7.761 ( 2.730 -2.607 5.729) 6.861 7.938 ( 1.539 -6.814 8.098) 10.695 8.656 ( 2.835 1.612 4.147) 5.276 8.700 ( 2.096 1.529 2.887) 3.882 9.181 ( -9.520 0.559 0.024) 9.537 9.251 ( -1.646 0.876 -5.252) 5.573 9.714 ( 3.408 -3.364 -1.383) 4.984 10.013 ( -0.198 -2.453 -1.726) 3.005 10.202 ( 7.459 1.882 -9.957) 12.583 10.364 ( -2.613 6.336 6.221) 9.256 10.457 ( -5.129 -3.177 3.780) 7.120 10.783 ( -2.677 0.331 0.763) 2.803 10.920 ( -4.115 -4.997 -6.250) 8.998 11.599 ( 0.582 6.671 0.725) 6.735 11.748 ( 0.021 -3.550 -4.008) 5.354 12.706 ( -4.891 -0.495 14.842) 15.635 12.824 ( -7.567 1.899 -2.083) 8.075 13.278 ( 7.277 -0.034 -11.224) 13.376 13.719 ( 0.886 2.310 -1.733) 3.021 13.784 ( -9.022 -0.990 7.092) 11.518 14.734 ( -1.062 -2.586 -15.107) 15.363 16.645 ( 12.251 0.901 4.620) 13.124 ======================= Grid point 217 (95/468) ======================= q-point: (-0.18 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( -10.800 -4.122 -7.068) 13.550 2.353 ( -8.520 -2.564 -5.816) 10.630 3.252 ( 5.843 6.793 0.478) 8.973 3.529 ( 1.305 -1.719 2.573) 3.359 4.061 ( 2.479 -10.322 5.194) 11.818 4.432 ( 12.037 -11.035 5.745) 17.311 4.991 ( -7.268 15.205 -1.944) 16.964 5.253 ( 1.816 4.149 -7.995) 9.189 5.534 ( 0.030 -1.936 -6.638) 6.915 5.605 ( -14.653 -0.762 9.793) 17.641 5.877 ( -1.686 -1.145 -4.235) 4.700 6.466 ( -4.468 2.933 -2.943) 6.101 6.598 ( 6.484 1.827 -5.728) 8.843 6.854 ( 4.646 4.464 -2.730) 6.998 7.890 ( -0.258 -3.958 5.974) 7.171 8.088 ( 0.283 -7.361 2.940) 7.932 8.665 ( -2.124 4.769 -2.078) 5.619 8.739 ( 0.854 5.775 8.414) 10.241 9.090 ( -7.082 -4.981 0.356) 8.665 9.241 ( 8.222 0.480 -0.926) 8.288 9.771 ( 3.851 -4.811 -2.863) 6.795 9.996 ( -3.588 -3.481 0.099) 5.000 10.182 ( 9.603 5.138 -6.000) 12.434 10.387 ( 1.590 3.100 -1.105) 3.655 10.465 ( -3.572 2.434 9.161) 10.130 10.744 ( -4.014 -1.930 -0.273) 4.462 10.851 ( -3.922 -9.423 -4.039) 10.977 11.623 ( 3.150 6.510 5.046) 8.818 11.771 ( 2.559 0.728 4.394) 5.136 12.636 ( -9.143 2.983 -2.023) 9.828 12.852 ( -4.021 -0.687 9.168) 10.034 13.212 ( 5.873 0.093 -12.219) 13.558 13.723 ( -0.455 0.981 3.590) 3.750 13.745 ( -7.341 0.642 4.596) 8.685 14.613 ( 1.743 -8.698 -12.472) 15.305 16.803 ( 10.500 4.617 1.465) 11.564 ======================= Grid point 218 (96/468) ======================= q-point: (-0.09 -0.36 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -13.948 -10.722 -4.707) 18.211 2.155 ( -13.277 -6.275 -9.282) 17.373 3.266 ( 3.049 1.315 -1.412) 3.609 3.559 ( -2.459 -1.105 -1.096) 2.910 4.187 ( 0.960 -0.968 1.885) 2.327 4.652 ( 5.267 -9.466 -2.767) 11.181 4.731 ( -6.926 16.856 -3.269) 18.514 5.185 ( 0.607 -7.291 -5.599) 9.213 5.455 ( -0.644 5.875 -0.539) 5.935 5.522 ( -12.008 4.253 6.349) 14.233 5.829 ( -2.072 -5.192 -4.500) 7.176 6.407 ( -1.682 -0.811 1.846) 2.626 6.626 ( 6.670 -3.261 -3.648) 8.273 6.790 ( 3.208 7.239 -6.141) 10.020 7.917 ( -6.643 0.007 1.600) 6.833 8.158 ( -2.280 -8.163 0.412) 8.485 8.542 ( -0.370 6.974 -2.958) 7.585 8.801 ( 2.779 8.071 5.589) 10.203 9.082 ( -5.306 -5.026 2.343) 7.674 9.395 ( 12.506 1.457 3.101) 12.967 9.807 ( 1.870 -5.270 -3.579) 6.640 10.013 ( -1.664 -4.353 2.343) 5.216 10.203 ( 9.400 4.658 -2.715) 10.837 10.282 ( -6.681 3.602 -2.775) 8.082 10.518 ( -3.912 3.508 6.320) 8.219 10.763 ( -0.295 -5.182 5.426) 7.508 10.944 ( 8.097 -13.424 -0.103) 15.677 11.652 ( -1.124 2.394 3.866) 4.684 11.877 ( 3.941 10.410 10.449) 15.267 12.466 ( -3.658 0.460 -9.963) 10.623 12.875 ( -5.239 1.938 7.070) 9.011 13.131 ( 5.019 -0.927 -11.861) 12.913 13.690 ( -6.929 1.909 5.577) 9.097 13.821 ( 2.227 -3.534 5.619) 7.001 14.598 ( 0.073 -13.276 -7.823) 15.409 16.859 ( 8.089 10.208 -1.416) 13.101 ======================= Grid point 227 (97/468) ======================= q-point: (-0.27 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( -10.515 0.000 -9.504) 14.174 2.330 ( -8.643 0.000 -6.731) 10.955 3.271 ( 3.204 -0.000 -3.528) 4.766 3.623 ( 4.745 -0.000 4.879) 6.806 3.877 ( -0.916 0.000 5.209) 5.289 4.359 ( 15.810 -0.000 10.758) 19.123 5.157 ( -6.979 0.000 0.066) 6.979 5.271 ( -2.003 0.000 -18.514) 18.622 5.523 ( 8.101 -0.000 0.851) 8.146 5.571 ( -20.011 0.000 12.218) 23.446 5.869 ( -3.665 0.000 -4.967) 6.173 6.485 ( -1.779 0.000 -4.863) 5.178 6.633 ( 3.100 -0.000 -10.823) 11.258 6.891 ( 4.101 -0.000 0.025) 4.101 7.856 ( 2.390 -0.000 6.272) 6.712 8.015 ( -0.152 0.000 4.898) 4.900 8.721 ( -0.195 0.000 0.265) 0.329 8.779 ( -1.407 0.000 8.443) 8.560 9.054 ( -7.143 0.000 0.936) 7.204 9.238 ( 8.112 -0.000 -3.656) 8.898 9.726 ( 4.263 -0.000 -2.868) 5.138 9.957 ( -3.776 0.000 -0.473) 3.806 10.228 ( 13.663 -0.000 -9.366) 16.565 10.446 ( -0.065 0.000 2.862) 2.863 10.481 ( -2.342 0.000 11.682) 11.914 10.726 ( -4.756 0.000 -1.943) 5.137 10.746 ( -6.587 0.000 -6.286) 9.105 11.698 ( -0.466 0.000 -0.244) 0.526 11.762 ( 7.663 -0.000 9.858) 12.486 12.663 ( -11.657 0.000 -1.123) 11.711 12.845 ( -3.728 0.000 10.393) 11.041 13.212 ( 7.341 -0.000 -13.984) 15.794 13.715 ( 0.748 -0.000 0.244) 0.787 13.771 ( -12.066 0.000 10.621) 16.075 14.530 ( 3.091 -0.000 -16.372) 16.661 16.845 ( 11.515 -0.000 2.604) 11.805 ======================= Grid point 228 (98/468) ======================= q-point: (-0.18 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -13.880 -3.668 -9.384) 17.151 2.076 ( -15.127 -2.648 -11.109) 18.954 3.190 ( -5.585 -4.887 -11.121) 13.370 3.698 ( 5.308 12.859 7.606) 15.855 4.025 ( 1.988 -14.010 4.909) 14.977 4.648 ( 11.436 4.607 5.330) 13.432 4.967 ( -4.270 6.219 -9.795) 12.363 5.066 ( -6.124 -3.367 -7.990) 10.615 5.465 ( -17.874 -0.481 9.522) 20.258 5.636 ( 2.591 5.328 3.112) 6.692 5.743 ( -3.096 -4.488 -5.866) 8.008 6.399 ( -2.876 -0.452 -2.367) 3.752 6.572 ( 4.797 -2.063 -6.279) 8.167 6.884 ( 3.059 3.115 -5.915) 7.352 7.929 ( -3.147 1.704 3.994) 5.363 8.034 ( -2.913 -5.597 -0.666) 6.345 8.646 ( -0.439 4.302 -4.493) 6.236 8.901 ( -2.815 1.601 14.893) 15.241 9.040 ( -1.454 0.940 3.486) 3.892 9.371 ( 16.389 -2.715 -2.453) 16.793 9.745 ( 3.438 -1.593 -2.685) 4.644 9.929 ( -4.408 -3.663 2.094) 6.102 10.266 ( 9.626 1.608 -8.407) 12.881 10.421 ( -2.428 11.636 1.917) 12.040 10.587 ( -5.304 3.808 7.171) 9.698 10.676 ( -1.660 -5.325 4.836) 7.383 10.708 ( 7.274 -12.487 -4.823) 15.235 11.690 ( -3.677 1.483 3.756) 5.461 12.007 ( 8.830 4.233 13.064) 16.327 12.467 ( -8.923 -0.181 -9.661) 13.152 12.897 ( -5.804 0.636 8.858) 10.609 13.119 ( 5.663 -0.423 -13.805) 14.928 13.728 ( -12.091 1.889 8.496) 14.898 13.774 ( 1.859 -1.688 5.153) 5.733 14.419 ( 3.967 -6.255 -13.036) 14.993 16.988 ( 10.370 4.183 0.700) 11.203 ======================= Grid point 229 (99/468) ======================= q-point: (-0.09 -0.27 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -17.079 -11.316 -5.071) 21.106 1.751 ( -19.495 -7.811 -12.225) 24.300 2.937 ( -17.723 -15.045 -18.632) 29.792 3.736 ( 5.246 16.331 6.910) 18.493 4.196 ( 0.737 -3.611 2.099) 4.241 4.600 ( -1.042 0.955 -8.005) 8.129 4.745 ( -4.093 13.223 -5.524) 14.904 5.080 ( 5.028 -7.757 0.274) 9.248 5.364 ( -14.060 -1.293 4.322) 14.766 5.529 ( -7.238 0.434 -2.956) 7.830 5.771 ( 0.489 3.412 3.083) 4.625 6.404 ( -0.965 -5.101 2.753) 5.876 6.634 ( 9.194 -4.725 -2.659) 10.673 6.805 ( 3.473 4.479 -5.564) 7.943 7.829 ( -9.592 3.060 -1.485) 10.177 8.047 ( -3.873 -8.498 -0.816) 9.374 8.610 ( 5.932 3.472 -0.707) 6.910 8.967 ( -0.135 9.705 5.346) 11.081 9.076 ( -1.898 3.146 7.147) 8.036 9.579 ( 14.104 -6.128 -3.640) 15.803 9.768 ( 1.996 3.465 1.016) 4.126 9.968 ( -2.570 -7.875 3.536) 9.007 10.173 ( -4.011 3.052 -6.830) 8.489 10.361 ( 4.752 10.180 1.351) 11.316 10.515 ( -5.493 1.778 1.468) 5.957 10.875 ( 3.528 -3.832 13.555) 14.521 10.957 ( 17.124 -19.748 -1.363) 26.174 11.661 ( -7.042 0.943 3.636) 7.981 12.083 ( -5.877 8.764 -5.246) 11.784 12.313 ( 2.060 0.482 1.598) 2.651 12.956 ( 1.470 0.772 6.780) 6.981 13.031 ( 4.570 -2.145 -10.738) 11.866 13.663 ( -9.969 0.347 5.114) 11.209 13.900 ( 1.555 -2.916 7.356) 8.064 14.389 ( 0.530 -10.780 -8.897) 13.987 17.033 ( 7.435 11.542 -1.432) 13.804 ======================= Grid point 239 (100/468) ======================= q-point: (-0.18 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -17.528 0.000 -8.139) 19.326 1.678 ( -21.150 0.000 -13.135) 24.897 2.801 ( -21.194 0.000 -19.862) 29.047 3.980 ( 9.518 -0.000 7.849) 12.337 4.035 ( 2.611 -0.000 5.615) 6.193 4.665 ( -6.345 0.000 -18.485) 19.544 4.833 ( -2.851 0.000 0.677) 2.931 5.038 ( 9.201 -0.000 0.891) 9.244 5.347 ( -20.015 0.000 10.417) 22.564 5.521 ( -7.185 0.000 -8.143) 10.860 5.811 ( 2.684 -0.000 6.631) 7.154 6.333 ( -1.223 0.000 -2.457) 2.744 6.601 ( 7.748 -0.000 0.181) 7.750 6.846 ( 3.174 -0.000 -7.013) 7.698 7.891 ( -7.420 0.000 -4.333) 8.593 7.933 ( -5.987 0.000 1.484) 6.168 8.635 ( 4.321 -0.000 -3.010) 5.266 9.088 ( -3.158 0.000 5.744) 6.555 9.101 ( -0.372 0.000 18.163) 18.167 9.489 ( 17.047 -0.000 -11.614) 20.627 9.823 ( 7.894 -0.000 5.828) 9.812 9.877 ( -6.485 0.000 3.481) 7.360 10.203 ( -1.946 0.000 -8.733) 8.947 10.524 ( -5.564 0.000 3.533) 6.591 10.597 ( 2.641 -0.000 1.327) 2.956 10.641 ( 14.455 -0.000 -5.460) 15.452 10.845 ( 5.892 -0.000 10.601) 12.128 11.671 ( -8.680 0.000 4.245) 9.662 12.164 ( -12.815 0.000 -15.724) 20.285 12.315 ( 9.048 -0.000 13.343) 16.121 12.962 ( 0.266 -0.000 7.288) 7.293 13.012 ( 3.773 -0.000 -12.037) 12.614 13.669 ( -13.159 0.000 6.354) 14.612 13.873 ( 1.834 -0.000 7.378) 7.603 14.291 ( 3.619 -0.000 -11.063) 11.640 17.138 ( 9.633 -0.000 -0.077) 9.633 ======================= Grid point 240 (101/468) ======================= q-point: (-0.09 -0.18 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -21.668 -9.266 0.503) 23.571 1.257 ( -24.673 -6.672 -11.725) 28.120 2.219 ( -33.777 -12.687 -23.643) 43.137 4.035 ( 6.548 17.587 4.564) 19.313 4.210 ( 1.079 0.848 0.075) 1.374 4.435 ( -0.019 -10.007 -8.725) 13.276 4.684 ( -7.405 6.125 -4.911) 10.792 5.192 ( -5.896 3.992 5.939) 9.272 5.251 ( 2.803 -1.008 2.369) 3.806 5.360 ( -7.550 -1.969 -4.031) 8.782 5.864 ( -2.214 4.538 4.611) 6.838 6.323 ( -2.582 -10.323 -1.897) 10.808 6.749 ( 10.968 -0.070 3.404) 11.485 6.839 ( 5.558 0.760 -1.068) 5.710 7.708 ( -9.046 3.810 -3.325) 10.363 7.901 ( -4.748 -9.005 -1.191) 10.250 8.679 ( 4.945 -1.102 -1.111) 5.187 9.080 ( -3.972 6.344 5.864) 9.508 9.278 ( 3.886 10.588 10.521) 15.424 9.541 ( 6.355 -6.348 -6.951) 11.358 9.856 ( -6.056 -1.293 5.584) 8.338 10.000 ( -0.100 5.026 -0.818) 5.093 10.070 ( 10.777 -1.551 -6.393) 12.627 10.464 ( -1.729 11.860 -2.028) 12.156 10.585 ( 2.391 6.246 8.886) 11.122 10.963 ( 21.677 -24.698 -6.966) 33.592 11.070 ( 3.053 -7.026 16.309) 18.019 11.565 ( -9.740 -0.380 -4.486) 10.730 11.787 ( -17.095 -0.569 -11.350) 20.528 12.538 ( 6.424 6.730 9.587) 13.360 12.922 ( 1.137 -1.213 -7.635) 7.814 13.100 ( 7.801 -2.821 5.385) 9.890 13.576 ( -10.468 -1.063 2.289) 10.768 13.985 ( 0.562 -1.267 6.672) 6.814 14.219 ( -0.035 -4.852 -7.864) 9.241 17.197 ( 6.377 10.512 -1.409) 12.375 ======================= Grid point 251 (102/468) ======================= q-point: (-0.09 -0.09 0.07) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -27.849 0.000 18.203) 33.270 0.769 ( -29.163 0.000 -5.671) 29.710 1.355 ( -45.645 0.000 -22.264) 50.785 4.179 ( -0.753 0.000 -9.539) 9.569 4.237 ( 4.060 -0.000 1.413) 4.299 4.361 ( 6.700 -0.000 4.379) 8.005 4.565 ( -6.455 0.000 -3.932) 7.558 5.102 ( -12.567 0.000 3.436) 13.028 5.230 ( -7.369 0.000 -0.204) 7.371 5.471 ( 16.206 -0.000 2.641) 16.419 5.888 ( -2.731 0.000 1.179) 2.975 6.155 ( -8.298 0.000 -2.421) 8.644 6.907 ( 3.699 -0.000 0.918) 3.811 6.947 ( 10.616 -0.000 4.125) 11.389 7.587 ( -6.869 0.000 -2.005) 7.156 7.788 ( -3.322 0.000 -0.538) 3.365 8.697 ( 0.505 -0.000 0.354) 0.616 9.121 ( -6.680 0.000 6.698) 9.460 9.456 ( 11.319 -0.000 -7.022) 13.320 9.568 ( -1.331 0.000 8.725) 8.826 9.819 ( -2.533 0.000 -12.254) 12.513 9.868 ( -2.962 0.000 3.229) 4.382 10.286 ( 15.882 -0.000 2.422) 16.066 10.601 ( 5.252 -0.000 3.555) 6.342 10.798 ( 1.143 -0.000 10.774) 10.834 10.911 ( 19.225 -0.000 -9.410) 21.404 11.240 ( 0.191 -0.000 13.939) 13.940 11.248 ( -8.853 0.000 -22.646) 24.315 11.507 ( -22.963 0.000 5.752) 23.673 12.740 ( 5.506 -0.000 3.756) 6.665 12.850 ( -1.829 0.000 -1.629) 2.449 13.237 ( 9.670 -0.000 1.288) 9.755 13.455 ( -7.098 0.000 -2.735) 7.606 14.045 ( 0.075 -0.000 2.151) 2.153 14.115 ( -2.471 0.000 -2.364) 3.420 17.320 ( 5.624 -0.000 -0.585) 5.655 ======================= Grid point 252 (103/468) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 25.114 -0.000 26.506) 36.514 1.173 ( -0.353 0.000 28.735) 28.738 1.874 ( -10.946 0.000 39.269) 40.766 4.156 ( -9.397 0.000 1.425) 9.505 4.186 ( 2.228 -0.000 -3.404) 4.068 4.298 ( 4.826 -0.000 -6.965) 8.474 4.630 ( -6.576 0.000 6.023) 8.917 5.265 ( 0.255 -0.000 -15.719) 15.721 5.315 ( -2.415 0.000 11.971) 12.213 5.390 ( 2.517 -0.000 14.871) 15.083 5.944 ( -2.597 0.000 2.674) 3.727 6.244 ( 0.785 -0.000 5.227) 5.286 6.802 ( 2.289 -0.000 -12.425) 12.634 6.839 ( 4.186 -0.000 -6.477) 7.712 7.669 ( -0.311 0.000 8.960) 8.966 7.842 ( -2.028 0.000 5.366) 5.736 8.702 ( 7.058 -0.000 0.327) 7.065 9.181 ( -12.585 0.000 -18.053) 22.007 9.227 ( 5.549 -0.000 5.304) 7.676 9.682 ( 10.337 -0.000 3.611) 10.950 9.692 ( -24.582 0.000 -2.347) 24.694 10.020 ( 7.080 -0.000 6.378) 9.530 10.168 ( 5.077 -0.000 -8.074) 9.538 10.514 ( -1.402 0.000 -6.119) 6.278 10.638 ( -1.195 0.000 -15.927) 15.972 10.836 ( 6.449 -0.000 -1.519) 6.626 11.266 ( -18.835 0.000 10.105) 21.375 11.293 ( 11.486 -0.000 -1.505) 11.584 11.847 ( 8.030 -0.000 21.480) 22.932 12.633 ( -2.776 0.000 -8.849) 9.274 12.885 ( 5.227 -0.000 0.864) 5.298 13.039 ( -1.363 0.000 -11.329) 11.410 13.492 ( -6.458 0.000 6.704) 9.308 14.036 ( -4.024 0.000 -2.189) 4.581 14.172 ( 5.628 -0.000 2.492) 6.155 17.195 ( 1.874 -0.000 -10.076) 10.249 ======================= Grid point 253 (104/468) ======================= q-point: ( 0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 8.606 1.148 25.206) 26.659 1.614 ( 5.051 -4.337 25.993) 26.832 2.395 ( 13.522 -14.788 28.800) 35.085 4.023 ( -7.219 7.009 -1.779) 10.218 4.100 ( 2.592 14.758 -2.520) 15.194 4.340 ( 0.547 -12.913 -4.626) 13.728 4.625 ( -0.716 -0.701 2.572) 2.760 5.066 ( -0.660 3.431 -12.573) 13.049 5.437 ( -3.787 -6.723 9.500) 12.238 5.603 ( 2.329 3.623 16.703) 17.249 5.859 ( -5.484 9.075 -0.593) 10.620 6.335 ( 0.794 -3.862 0.489) 3.974 6.703 ( 0.940 -6.600 -7.658) 10.154 6.806 ( 5.723 0.301 -8.509) 10.259 7.775 ( 1.271 7.047 10.531) 12.735 7.946 ( 0.080 -8.779 6.652) 11.015 8.762 ( -5.905 7.266 -10.922) 14.386 8.832 ( 4.664 -1.697 -5.922) 7.727 9.244 ( -17.583 1.873 3.243) 17.977 9.499 ( 5.578 -5.034 -3.491) 8.285 9.807 ( 6.020 5.408 3.582) 8.850 10.071 ( 3.676 11.206 0.305) 11.798 10.210 ( 5.995 -4.335 0.035) 7.398 10.338 ( -7.149 3.296 -3.955) 8.810 10.562 ( -2.438 -12.396 -11.421) 17.031 10.835 ( -5.155 1.859 2.240) 5.920 11.226 ( -4.205 0.841 6.785) 8.027 11.423 ( 4.642 -10.083 -2.849) 11.460 12.196 ( 9.530 3.302 15.661) 18.628 12.427 ( -6.229 3.521 -8.901) 11.420 12.846 ( -2.801 2.979 -7.300) 8.368 13.019 ( 5.409 -6.438 -0.932) 8.460 13.469 ( -7.941 0.137 5.499) 9.660 13.920 ( -6.625 -3.435 -5.901) 9.514 14.340 ( 9.760 -2.870 4.936) 11.307 17.049 ( 2.893 7.103 -12.249) 14.452 ======================= Grid point 254 (105/468) ======================= q-point: ( 0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 2.521 0.131 23.747) 23.881 1.995 ( 3.944 -4.338 20.654) 21.470 3.040 ( 18.047 -16.318 15.804) 29.013 3.783 ( -10.785 11.206 -2.664) 15.779 4.015 ( 3.827 9.591 -0.885) 10.365 4.399 ( 2.701 -8.377 -3.691) 9.544 4.679 ( 5.299 -2.578 -2.117) 6.261 4.895 ( -2.677 -0.258 -8.332) 8.756 5.542 ( -3.745 -5.256 4.211) 7.706 5.671 ( -3.519 12.322 2.482) 13.053 5.822 ( 4.159 1.360 9.855) 10.782 6.325 ( -0.187 -0.208 -2.600) 2.615 6.706 ( 2.023 0.089 -6.232) 6.553 6.799 ( 4.029 -10.036 -6.031) 12.382 7.824 ( -0.464 8.007 5.714) 9.848 8.114 ( 0.122 -8.681 6.522) 10.858 8.510 ( -1.380 7.146 -3.140) 7.926 8.857 ( 1.765 -0.260 -4.913) 5.227 9.058 ( -10.221 0.279 1.034) 10.277 9.638 ( 10.448 -5.184 -1.871) 11.813 9.831 ( 2.392 7.981 1.043) 8.396 10.043 ( 4.094 8.332 1.727) 9.443 10.157 ( -11.879 -0.042 -2.510) 12.142 10.336 ( 4.959 -4.528 1.936) 6.988 10.478 ( -7.453 -6.063 -4.099) 10.446 10.785 ( -6.726 1.696 5.277) 8.715 11.262 ( 0.142 2.265 3.901) 4.514 11.485 ( -1.604 -9.998 -4.909) 11.253 12.115 ( -8.446 9.463 -6.740) 14.363 12.453 ( 9.506 0.372 -4.947) 10.723 12.770 ( -4.490 -1.916 7.777) 9.183 13.117 ( 2.556 -4.344 -0.243) 5.046 13.459 ( -0.990 0.388 3.215) 3.387 13.803 ( -5.363 -5.831 -6.393) 10.180 14.567 ( 9.396 -4.029 6.876) 12.321 16.853 ( 3.457 8.595 -14.309) 17.046 ======================= Grid point 255 (106/468) ======================= q-point: ( 0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( -4.330 1.496 23.587) 24.028 2.267 ( 4.333 -2.857 9.354) 10.698 3.316 ( -1.406 7.224 0.944) 7.420 3.653 ( -1.040 -6.442 -0.197) 6.529 4.012 ( 3.088 -0.131 0.061) 3.091 4.457 ( 5.748 -2.116 -2.935) 6.792 4.744 ( 11.840 2.083 -3.723) 12.585 4.833 ( -4.271 -14.641 -3.102) 15.563 5.463 ( 2.834 15.900 -3.803) 16.593 5.666 ( -4.535 -6.104 4.241) 8.707 5.957 ( 2.947 2.213 5.937) 6.988 6.318 ( 1.725 -1.722 -0.667) 2.527 6.603 ( 1.704 4.445 -9.059) 10.234 6.842 ( 0.251 -5.075 -4.934) 7.082 7.789 ( 0.053 0.867 -1.432) 1.674 8.259 ( -2.742 -9.991 7.103) 12.562 8.513 ( 3.498 9.540 7.617) 12.699 8.767 ( -2.162 0.620 -7.553) 7.880 9.023 ( -1.191 -1.198 3.720) 4.086 9.748 ( -1.062 5.731 -1.571) 6.036 9.772 ( 7.545 0.782 -3.755) 8.464 9.972 ( -13.995 -2.455 3.377) 14.605 10.092 ( 7.080 6.620 0.353) 9.699 10.392 ( -8.625 -3.882 0.142) 9.459 10.478 ( 5.021 -1.893 6.369) 8.328 10.778 ( -4.841 -0.451 5.821) 7.584 11.280 ( -0.601 3.930 3.690) 5.425 11.429 ( -3.608 -4.671 -7.332) 9.412 11.865 ( -9.845 6.154 -3.227) 12.050 12.418 ( 6.516 -2.777 -13.189) 14.970 12.889 ( -4.430 -3.268 10.450) 11.812 13.136 ( -2.087 -3.618 -2.290) 4.764 13.522 ( 5.865 0.865 1.963) 6.245 13.752 ( -0.810 -4.221 -1.401) 4.521 14.797 ( 7.439 -2.412 7.813) 11.054 16.645 ( 4.440 6.621 -15.813) 17.709 ======================= Grid point 256 (107/468) ======================= q-point: ( 0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -10.747 7.238 10.202) 16.491 2.442 ( 1.090 0.190 8.886) 8.955 3.186 ( -5.227 9.585 3.552) 11.481 3.649 ( -1.123 -6.328 -8.302) 10.499 4.041 ( -2.894 -9.487 -3.975) 10.685 4.494 ( 3.666 0.188 -2.343) 4.355 4.878 ( 15.512 0.213 -0.279) 15.516 4.962 ( 0.500 -19.875 0.465) 19.887 5.287 ( 2.384 16.616 -7.493) 18.383 5.700 ( -2.531 -1.078 2.708) 3.860 6.002 ( 0.913 3.827 1.671) 4.275 6.379 ( 2.536 -4.531 1.061) 5.299 6.482 ( 2.312 4.500 -6.528) 8.259 6.773 ( -1.151 2.037 -5.072) 5.586 7.816 ( 1.695 -8.533 -2.100) 8.949 8.367 ( -6.598 -10.986 2.398) 13.037 8.536 ( 0.096 11.737 5.442) 12.938 8.638 ( 0.097 1.681 -5.979) 6.211 9.114 ( 0.799 -3.328 5.778) 6.716 9.574 ( -9.313 10.336 0.131) 13.913 9.820 ( 8.834 2.030 -3.191) 9.609 9.955 ( -4.455 -3.883 5.393) 8.000 10.113 ( 5.637 5.938 -1.216) 8.277 10.337 ( -7.003 -3.828 1.221) 8.074 10.622 ( 0.355 3.299 9.277) 9.852 10.817 ( -1.950 -2.571 5.816) 6.651 11.245 ( 1.551 9.729 -0.935) 9.896 11.399 ( -3.037 -9.503 3.600) 10.606 11.696 ( -5.519 2.787 -2.195) 6.561 12.375 ( 5.150 -4.711 -10.828) 12.883 12.918 ( -7.986 -6.161 0.818) 10.120 13.086 ( -1.597 -2.473 -5.561) 6.292 13.620 ( 6.445 1.431 2.452) 7.043 13.822 ( 3.063 0.335 6.575) 7.261 14.957 ( 3.810 3.852 6.210) 8.241 16.482 ( 6.380 0.226 -15.207) 16.492 ======================= Grid point 257 (108/468) ======================= q-point: (-0.55 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( -14.586 12.371 6.189) 20.102 2.433 ( -6.754 8.881 0.668) 11.177 3.174 ( -1.576 -0.420 7.792) 7.961 3.562 ( -1.364 -5.336 -10.447) 11.810 4.015 ( -5.242 -13.736 -7.240) 16.388 4.483 ( 0.353 -0.014 -3.155) 3.175 4.995 ( 3.622 14.492 -9.371) 17.634 5.093 ( 12.488 -4.253 -1.044) 13.234 5.180 ( -1.696 -10.949 2.908) 11.455 5.670 ( -4.705 3.622 1.005) 6.022 5.962 ( -1.792 4.886 -0.769) 5.261 6.420 ( 2.968 2.540 -0.335) 3.921 6.495 ( 5.510 -5.353 -1.205) 7.776 6.704 ( -0.469 2.238 -0.414) 2.323 7.890 ( -0.558 -9.150 -0.424) 9.176 8.274 ( -8.850 -7.888 -11.076) 16.224 8.498 ( 1.307 11.443 4.207) 12.261 8.628 ( -0.503 -3.364 0.705) 3.474 9.212 ( 0.490 -6.557 2.738) 7.122 9.380 ( -8.579 9.148 0.625) 12.557 9.911 ( 10.569 6.927 1.553) 12.731 9.993 ( -1.058 -2.716 0.929) 3.060 10.125 ( 4.712 4.331 1.453) 6.563 10.305 ( -5.995 -3.370 1.444) 7.027 10.626 ( -7.237 3.459 4.948) 9.425 10.911 ( 2.313 2.005 6.494) 7.179 11.208 ( 2.730 10.119 6.026) 12.090 11.581 ( 0.898 -14.919 8.182) 17.039 11.633 ( 0.767 0.778 -0.167) 1.105 12.332 ( 3.192 -3.305 -11.247) 12.149 12.868 ( -5.334 -7.096 -2.091) 9.120 13.010 ( 0.476 -1.070 -7.560) 7.650 13.705 ( 4.042 2.021 2.403) 5.118 13.951 ( 2.341 3.291 10.087) 10.866 14.954 ( -0.279 13.040 1.161) 13.095 16.444 ( 8.086 -9.083 -11.219) 16.546 ======================= Grid point 258 (109/468) ======================= q-point: (-0.45 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -17.663 16.778 6.713) 25.270 2.172 ( -14.274 13.315 -4.427) 20.016 3.292 ( 3.895 2.102 3.036) 5.367 3.432 ( -7.844 -5.976 -6.780) 11.967 3.972 ( -5.677 -16.558 -9.225) 19.786 4.440 ( -1.585 -3.182 -2.798) 4.524 4.796 ( 4.760 16.094 -6.043) 17.838 5.163 ( 3.842 0.948 -3.928) 5.575 5.358 ( 0.583 -16.447 2.313) 16.619 5.558 ( -7.842 4.902 1.062) 9.309 5.857 ( -6.345 5.822 -1.032) 8.673 6.471 ( 3.983 1.185 4.089) 5.830 6.596 ( 5.365 -4.631 -0.658) 7.118 6.699 ( 2.936 4.346 0.457) 5.264 7.895 ( -9.496 -2.811 -0.133) 9.904 8.151 ( 0.123 -9.281 -7.291) 11.803 8.475 ( 3.706 6.659 1.111) 7.702 8.667 ( -0.972 -7.415 -0.563) 7.500 9.223 ( -8.823 1.907 0.264) 9.031 9.340 ( 4.746 -6.414 3.036) 8.537 9.918 ( 3.843 10.577 -2.475) 11.523 9.994 ( 1.577 -1.863 -4.856) 5.435 10.202 ( 0.882 2.058 4.103) 4.674 10.297 ( -1.746 -0.264 6.288) 6.531 10.551 ( -6.481 0.414 0.683) 6.530 11.006 ( 3.530 4.074 7.941) 9.598 11.282 ( 9.135 13.112 9.004) 18.343 11.658 ( 0.142 -3.391 -0.006) 3.394 11.824 ( 0.393 -12.535 6.250) 14.012 12.234 ( 0.011 -2.881 -8.812) 9.271 12.882 ( 4.716 -2.687 -4.542) 7.077 12.957 ( 2.162 -1.184 -1.318) 2.796 13.733 ( -0.095 1.894 0.500) 1.961 14.057 ( 0.224 4.270 8.979) 9.946 14.778 ( -2.410 18.551 -3.471) 19.027 16.541 ( 7.032 -15.575 -6.561) 18.305 ======================= Grid point 259 (110/468) ======================= q-point: (-0.36 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -19.795 18.616 9.378) 28.746 1.774 ( -19.821 14.953 -4.757) 25.280 2.994 ( -14.207 26.762 -10.032) 31.917 3.534 ( -0.706 -18.258 4.218) 18.752 3.932 ( -5.345 -18.537 -9.745) 21.614 4.469 ( 0.384 -6.832 0.497) 6.861 4.694 ( 6.857 13.771 -2.097) 15.526 5.140 ( 4.143 3.957 -2.023) 6.076 5.387 ( -11.884 -6.117 -1.415) 13.441 5.529 ( -4.122 -6.736 2.661) 8.333 5.684 ( -7.979 3.307 -3.322) 9.254 6.577 ( -1.045 2.193 8.256) 8.605 6.679 ( 9.575 2.368 -1.739) 10.016 6.731 ( 6.787 1.035 1.158) 6.962 7.745 ( -10.251 -2.272 -4.102) 11.272 8.166 ( 0.450 4.944 0.832) 5.034 8.584 ( 10.260 -9.024 2.772) 13.942 8.712 ( 0.910 -7.584 -2.624) 8.076 9.135 ( -8.961 -4.702 2.335) 10.386 9.511 ( 5.576 -9.174 1.824) 10.890 9.805 ( -2.944 6.818 -3.197) 8.085 9.928 ( 2.044 1.884 -9.309) 9.715 10.184 ( -3.407 4.008 3.850) 6.519 10.382 ( -1.729 0.066 3.433) 3.844 10.544 ( 2.274 -1.774 5.660) 6.353 11.107 ( 5.117 5.510 5.164) 9.122 11.389 ( 9.393 9.192 -3.166) 13.518 11.639 ( 2.862 4.817 -0.015) 5.603 11.905 ( -6.040 -1.919 4.807) 7.954 12.261 ( 1.458 -10.498 1.310) 10.679 12.874 ( 6.374 1.381 -5.523) 8.546 13.088 ( 10.006 1.052 5.728) 11.577 13.676 ( -4.218 1.442 -3.233) 5.507 14.098 ( -1.087 3.469 3.339) 4.936 14.534 ( -3.182 18.614 -2.927) 19.110 16.694 ( 2.898 -19.072 -3.250) 19.563 ======================= Grid point 260 (111/468) ======================= q-point: (-0.27 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -22.411 14.708 2.861) 26.959 1.349 ( -22.264 17.399 7.867) 29.331 2.365 ( -26.833 37.217 -2.068) 45.928 3.747 ( 0.846 -18.773 4.244) 19.265 3.929 ( -2.683 -19.240 -7.748) 20.914 4.494 ( -2.494 0.656 0.039) 2.579 4.669 ( 5.823 11.671 1.560) 13.136 5.196 ( 5.204 -0.587 -0.699) 5.283 5.260 ( -12.021 -2.716 2.681) 12.612 5.420 ( -9.077 5.334 1.511) 10.636 5.663 ( -1.234 -15.581 -4.964) 16.399 6.541 ( 0.898 11.125 -1.309) 11.237 6.825 ( 5.373 -0.991 5.297) 7.610 6.839 ( 7.281 -1.564 1.613) 7.620 7.616 ( -4.542 -1.395 -3.693) 6.018 8.093 ( -0.153 12.727 0.514) 12.739 8.747 ( -0.354 -3.032 1.149) 3.262 8.891 ( 14.245 -12.721 1.855) 19.188 9.141 ( -7.442 -14.003 0.322) 15.861 9.563 ( -5.810 -2.184 -2.860) 6.834 9.766 ( 0.601 -10.465 0.666) 10.503 9.809 ( 2.660 8.363 -5.505) 10.359 10.177 ( -1.901 3.868 6.030) 7.411 10.380 ( -0.178 -0.810 1.120) 1.394 10.714 ( 4.709 -4.283 5.366) 8.325 11.156 ( -6.436 -2.547 -7.353) 10.099 11.179 ( 10.403 13.820 -10.972) 20.484 11.749 ( 9.456 9.791 3.951) 14.174 11.888 ( -2.574 14.922 13.269) 20.133 12.398 ( 3.484 -14.499 -2.745) 15.162 12.898 ( 4.071 2.808 1.013) 5.048 13.266 ( 13.728 7.208 2.773) 15.751 13.523 ( -5.676 1.823 -8.504) 10.386 14.055 ( -0.420 1.922 -4.041) 4.495 14.343 ( -5.178 13.241 3.042) 14.539 16.850 ( -3.461 -22.663 0.404) 22.929 ======================= Grid point 261 (112/468) ======================= q-point: (-0.18 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -25.424 14.066 -1.670) 29.104 1.089 ( -21.810 17.321 13.276) 30.853 1.788 ( -29.221 36.453 24.104) 52.571 3.994 ( 1.009 -17.115 9.188) 19.452 4.009 ( 1.566 -20.427 -5.805) 21.293 4.439 ( -2.749 2.181 0.884) 3.619 4.657 ( 1.411 12.113 4.864) 13.129 5.028 ( -16.073 0.421 1.071) 16.114 5.281 ( -6.239 0.503 5.101) 8.075 5.452 ( 11.461 -2.776 -3.678) 12.352 5.729 ( 0.538 -12.502 -1.291) 12.580 6.420 ( 0.140 14.077 -1.260) 14.134 6.889 ( 1.624 -2.076 -1.680) 3.125 6.940 ( 5.782 1.367 -3.911) 7.113 7.570 ( 0.075 -0.705 -0.662) 0.970 7.975 ( -0.267 15.085 0.298) 15.090 8.803 ( -1.896 -3.697 4.364) 6.025 9.014 ( -7.206 -2.258 -8.584) 11.433 9.173 ( 13.276 -11.128 -5.348) 18.130 9.592 ( -5.049 -10.409 6.953) 13.497 9.755 ( 5.335 10.388 2.616) 11.968 9.878 ( -3.214 -12.368 3.224) 13.179 10.239 ( -2.631 -7.288 7.648) 10.887 10.445 ( 1.880 -2.529 2.329) 3.918 10.640 ( -1.001 -0.476 -21.889) 21.917 11.058 ( 9.565 1.405 0.780) 9.699 11.225 ( 4.928 6.607 7.247) 10.976 11.674 ( -17.056 3.583 6.285) 18.527 11.855 ( 16.692 37.939 -11.070) 42.902 12.521 ( 5.043 -15.102 -5.681) 16.905 12.922 ( -2.054 3.506 4.025) 5.719 13.292 ( 7.095 8.509 -11.058) 15.653 13.394 ( 3.772 5.566 1.027) 6.802 13.998 ( 2.206 1.029 -3.311) 4.109 14.246 ( -7.027 5.704 5.826) 10.764 17.023 ( -6.932 -26.824 4.688) 28.099 ======================= Grid point 262 (113/468) ======================= q-point: (-0.09 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 0.592 15.278 17.991) 23.610 0.955 ( -12.285 12.919 25.056) 30.751 1.665 ( -23.426 16.850 40.824) 49.993 4.117 ( -0.831 -19.545 -4.832) 20.151 4.201 ( -1.466 -5.867 1.691) 6.279 4.433 ( -0.445 10.354 -0.895) 10.403 4.591 ( -5.478 -1.918 5.325) 7.877 5.062 ( 2.339 -6.095 16.306) 17.564 5.283 ( -4.466 1.321 7.742) 9.035 5.440 ( 3.373 -1.543 -14.937) 15.391 5.868 ( 3.781 -4.752 3.895) 7.215 6.276 ( -2.754 15.879 2.971) 16.387 6.867 ( 1.775 -1.329 -6.150) 6.538 6.895 ( 5.036 0.167 -9.516) 10.768 7.596 ( -2.342 -0.965 5.068) 5.666 7.859 ( -1.616 10.900 2.794) 11.368 8.705 ( -4.795 1.075 -4.457) 6.635 9.051 ( 7.177 -3.438 5.215) 9.515 9.401 ( 9.394 -13.463 -3.940) 16.883 9.559 ( -6.574 1.543 -3.015) 7.395 9.838 ( 7.862 5.493 7.766) 12.341 9.941 ( -11.744 -5.650 2.733) 13.316 10.263 ( -2.663 -3.949 -17.427) 18.066 10.422 ( -1.446 -19.104 3.946) 19.561 10.673 ( 13.078 -4.025 -1.000) 13.720 11.136 ( -0.206 3.437 -8.110) 8.810 11.236 ( 4.876 32.624 -15.966) 36.647 11.420 ( -6.081 10.760 4.305) 13.088 11.545 ( -8.430 3.700 17.975) 20.195 12.644 ( 6.827 -9.616 -5.182) 12.881 12.882 ( -4.751 1.940 1.412) 5.322 13.185 ( 5.510 5.619 -11.109) 13.614 13.446 ( 1.920 2.656 6.066) 6.895 14.017 ( 5.076 0.852 -0.317) 5.157 14.189 ( -6.262 3.148 3.185) 7.698 17.205 ( -0.843 -17.865 -2.857) 18.112 ======================= Grid point 264 (114/468) ======================= q-point: ( 0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 8.132 -0.000 20.422) 21.982 1.949 ( -0.899 0.000 25.639) 25.655 2.878 ( 20.938 -0.000 19.429) 28.564 3.916 ( -7.853 0.000 -4.337) 8.971 4.086 ( -10.336 0.000 -3.397) 10.880 4.323 ( 13.088 -0.000 -1.394) 13.162 4.599 ( 0.536 -0.000 -5.717) 5.742 4.959 ( 0.514 -0.000 -7.586) 7.604 5.455 ( -4.258 0.000 7.861) 8.941 5.806 ( -4.124 0.000 -4.086) 5.806 5.836 ( 2.441 -0.000 13.122) 13.347 6.374 ( 2.107 -0.000 1.951) 2.872 6.596 ( 1.266 -0.000 -3.571) 3.788 6.757 ( 5.951 -0.000 -11.506) 12.954 7.961 ( 0.546 -0.000 3.760) 3.799 7.974 ( -1.926 0.000 8.861) 9.068 8.582 ( -1.301 0.000 -4.474) 4.659 8.848 ( 1.864 -0.000 -4.223) 4.616 9.057 ( -12.430 0.000 1.328) 12.501 9.592 ( 11.500 -0.000 -0.310) 11.504 9.905 ( 1.589 -0.000 0.446) 1.651 10.133 ( -12.045 0.000 -4.199) 12.756 10.217 ( 3.272 -0.000 2.469) 4.099 10.218 ( 3.689 -0.000 -1.946) 4.170 10.426 ( -2.395 0.000 -0.416) 2.431 10.805 ( -6.395 0.000 3.169) 7.137 11.292 ( 2.633 -0.000 4.192) 4.950 11.372 ( -3.753 0.000 -0.518) 3.789 12.213 ( -8.171 0.000 -10.477) 13.287 12.456 ( 9.059 -0.000 -2.995) 9.541 12.747 ( -8.023 0.000 8.393) 11.611 13.073 ( 4.160 -0.000 -0.051) 4.160 13.468 ( -1.664 0.000 4.964) 5.236 13.746 ( -3.388 0.000 -7.819) 8.522 14.532 ( 9.835 -0.000 7.569) 12.410 16.931 ( 2.691 -0.000 -16.152) 16.375 ======================= Grid point 265 (115/468) ======================= q-point: ( 0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( -2.167 1.008 23.640) 23.760 2.246 ( 4.890 -0.271 13.148) 14.030 3.290 ( 10.622 -5.472 7.612) 14.167 3.706 ( -7.961 9.840 -4.465) 13.421 3.965 ( -7.393 -6.216 -2.130) 9.891 4.442 ( 5.955 1.736 -4.567) 7.703 4.553 ( 6.072 -10.368 -6.975) 13.893 4.889 ( 2.988 5.380 -2.921) 6.812 5.548 ( 1.201 -3.369 7.659) 8.453 5.679 ( -1.213 5.135 -6.670) 8.504 5.988 ( 1.203 1.138 8.229) 8.394 6.378 ( 3.393 8.261 0.693) 8.957 6.646 ( 1.898 -2.868 -4.846) 5.943 6.683 ( 4.990 -7.702 -9.097) 12.922 7.858 ( -4.030 5.667 -5.615) 8.938 8.095 ( -4.332 -7.990 7.900) 12.042 8.651 ( 5.336 5.215 9.249) 11.883 8.766 ( -2.294 -0.303 -6.928) 7.304 8.996 ( -3.297 -1.495 2.673) 4.500 9.733 ( 10.106 -0.707 0.288) 10.135 9.868 ( -2.964 3.134 -2.111) 4.803 9.940 ( -14.986 -1.079 2.325) 15.204 10.211 ( 5.654 6.915 -0.256) 8.936 10.320 ( -1.892 -4.913 0.823) 5.329 10.451 ( 3.594 -0.415 6.196) 7.175 10.773 ( -4.627 -0.429 3.056) 5.562 11.288 ( -9.946 -2.363 1.233) 10.297 11.385 ( 4.880 0.423 0.519) 4.926 11.968 ( -10.000 4.182 -6.712) 12.749 12.391 ( 4.406 -0.633 -13.584) 14.295 12.826 ( -6.395 -2.918 8.616) 11.119 13.086 ( 0.043 -1.703 -2.952) 3.408 13.552 ( 5.506 1.912 4.676) 7.472 13.688 ( 1.989 -2.752 -0.339) 3.413 14.762 ( 8.150 -1.213 9.949) 12.918 16.732 ( 2.809 2.899 -18.587) 19.020 ======================= Grid point 266 (116/468) ======================= q-point: ( 0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -3.447 4.013 7.413) 9.107 2.461 ( -1.839 0.949 18.141) 18.259 3.369 ( -4.316 7.068 0.194) 8.285 3.526 ( -3.284 -1.852 -5.193) 6.417 3.885 ( -5.588 -8.097 -9.802) 13.887 4.446 ( -0.308 -10.152 -0.913) 10.198 4.707 ( 9.685 -5.383 0.432) 11.089 4.887 ( 7.502 0.765 -2.883) 8.073 5.518 ( 0.808 8.744 -9.527) 12.956 5.711 ( 6.069 1.552 7.800) 10.004 6.054 ( -1.017 2.281 4.453) 5.106 6.368 ( 4.007 4.441 -0.586) 6.010 6.550 ( 2.297 3.005 -7.900) 8.759 6.739 ( 1.666 -6.705 -5.355) 8.741 7.725 ( -1.102 -1.260 -5.278) 5.537 8.176 ( -9.133 -10.366 4.310) 14.472 8.650 ( -0.953 0.833 -6.927) 7.041 8.736 ( 1.777 9.492 6.407) 11.589 9.050 ( -0.968 -3.657 4.500) 5.879 9.721 ( -9.488 6.102 0.055) 11.281 9.854 ( 4.937 0.871 1.833) 5.338 9.896 ( -2.498 -2.737 6.043) 7.089 10.215 ( 3.979 5.956 -0.661) 7.193 10.301 ( -4.123 0.166 1.650) 4.444 10.643 ( 6.627 -0.626 9.214) 11.367 10.779 ( -2.572 -2.015 3.613) 4.871 11.218 ( -9.965 -9.175 2.170) 13.718 11.408 ( 5.325 7.535 -1.868) 9.414 11.759 ( -8.211 3.678 -1.705) 9.157 12.316 ( 5.863 -2.330 -10.520) 12.267 12.802 ( -7.340 -6.415 -3.262) 10.279 13.045 ( 0.255 -2.014 -6.077) 6.407 13.668 ( 6.410 3.574 5.258) 9.028 13.813 ( 4.522 -1.434 8.416) 9.661 14.986 ( 5.152 0.248 10.938) 12.093 16.506 ( 3.506 1.844 -19.810) 20.202 ======================= Grid point 267 (117/468) ======================= q-point: (-0.64 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -8.617 8.603 4.508) 12.984 2.583 ( -4.652 6.387 10.566) 13.193 3.201 ( -10.948 3.775 0.226) 11.583 3.472 ( 2.465 -3.695 -7.223) 8.480 3.749 ( -6.920 -14.281 -12.651) 20.295 4.522 ( 3.825 -0.536 -1.088) 4.012 4.892 ( -1.835 -11.486 10.033) 15.361 4.980 ( 11.653 -6.853 -7.387) 15.405 5.309 ( 1.516 12.213 -11.233) 16.663 5.808 ( 4.075 10.974 3.938) 12.351 6.030 ( -4.206 3.114 0.801) 5.294 6.407 ( 3.130 -2.031 1.861) 4.169 6.492 ( 4.640 2.923 -4.016) 6.797 6.716 ( 0.028 -1.290 -3.120) 3.376 7.729 ( 2.345 -8.235 -2.658) 8.965 8.118 ( -12.435 -9.865 -5.532) 16.809 8.583 ( -0.142 0.275 -1.974) 1.998 8.711 ( -1.278 9.472 2.693) 9.930 9.104 ( -1.586 -4.570 1.406) 5.037 9.539 ( -9.471 8.095 0.721) 12.481 9.950 ( -2.286 -2.153 4.406) 5.411 9.990 ( 7.377 0.700 5.103) 8.997 10.195 ( 1.703 4.686 -0.382) 5.000 10.279 ( -1.172 2.012 2.029) 3.088 10.696 ( -7.307 4.010 3.896) 9.200 10.905 ( 4.981 -2.593 7.334) 9.237 11.285 ( -5.162 -11.514 6.439) 14.166 11.402 ( 8.863 5.003 1.035) 10.230 11.673 ( -0.948 3.158 1.515) 3.629 12.287 ( 5.076 -1.971 -10.196) 11.559 12.739 ( -2.115 -7.319 -3.651) 8.448 12.983 ( 1.785 -1.751 -8.055) 8.434 13.764 ( 4.067 4.365 4.428) 7.429 13.988 ( 2.903 0.816 10.554) 10.976 15.124 ( 0.800 6.755 8.315) 10.743 16.326 ( 4.702 -4.637 -17.668) 18.862 ======================= Grid point 268 (118/468) ======================= q-point: (-0.55 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -11.877 13.520 5.080) 18.699 2.444 ( -10.827 17.320 -0.523) 20.432 3.123 ( -9.713 -13.046 2.347) 16.434 3.475 ( 7.768 3.334 -3.695) 9.226 3.653 ( -7.027 -18.402 -11.672) 22.896 4.502 ( 0.891 6.905 -1.886) 7.213 5.027 ( 5.440 -0.505 -12.542) 13.680 5.067 ( -5.625 -9.789 7.669) 13.649 5.149 ( 5.600 2.331 -4.205) 7.380 5.712 ( -5.217 12.665 0.132) 13.698 5.938 ( -7.024 3.504 0.461) 7.863 6.494 ( 3.289 0.349 2.702) 4.271 6.532 ( 6.352 -2.154 0.724) 6.746 6.726 ( 2.774 -0.698 0.531) 2.909 7.821 ( -2.298 -6.281 2.256) 7.059 7.954 ( -4.166 -11.304 -11.832) 16.886 8.574 ( -1.667 -3.397 -0.417) 3.807 8.630 ( -1.923 8.929 1.089) 9.198 9.121 ( -3.644 -6.778 -2.710) 8.159 9.406 ( -4.210 7.911 4.823) 10.177 9.960 ( 2.448 -1.403 -5.186) 5.905 10.069 ( -1.237 3.671 1.278) 4.079 10.185 ( -0.907 -0.996 0.926) 1.634 10.320 ( 1.752 3.010 7.827) 8.567 10.592 ( -7.058 3.941 1.135) 8.163 11.036 ( 0.215 -1.218 7.041) 7.149 11.409 ( 6.432 -0.581 4.923) 8.120 11.548 ( 4.717 -7.783 -1.779) 9.273 11.746 ( 6.165 4.632 12.640) 14.806 12.198 ( 1.857 -1.286 -11.517) 11.736 12.816 ( 6.814 -4.308 1.289) 8.164 12.938 ( 5.102 -1.341 -6.154) 8.106 13.792 ( 0.037 4.563 1.728) 4.879 14.116 ( 0.486 2.295 8.138) 8.470 15.073 ( -3.061 15.578 1.561) 15.953 16.285 ( 4.192 -13.774 -10.591) 17.874 ======================= Grid point 269 (119/468) ======================= q-point: (-0.45 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( -14.048 18.116 5.575) 23.593 2.078 ( -15.770 19.927 -3.394) 25.638 3.191 ( -6.270 -15.272 1.712) 16.598 3.450 ( 3.782 17.208 -0.610) 17.629 3.590 ( -6.424 -19.674 -10.746) 23.320 4.438 ( 0.523 3.487 1.212) 3.728 4.911 ( 5.367 9.766 -6.041) 12.676 5.131 ( -4.322 -17.074 -5.259) 18.380 5.184 ( 0.691 0.842 1.313) 1.706 5.539 ( -9.546 5.745 1.696) 11.270 5.784 ( -11.691 6.043 -0.451) 13.168 6.589 ( 1.317 -0.399 8.275) 8.388 6.655 ( 7.531 -2.552 1.041) 8.020 6.776 ( 5.678 1.324 -2.239) 6.246 7.699 ( -9.935 -3.171 -5.069) 11.595 8.093 ( 9.958 -12.778 1.741) 16.294 8.532 ( 0.715 2.472 -4.447) 5.138 8.616 ( -1.759 -2.924 4.332) 5.515 9.050 ( -9.003 -6.259 -3.313) 11.455 9.425 ( 0.631 0.967 5.455) 5.576 9.871 ( -3.269 1.145 -9.223) 9.852 10.012 ( 1.434 5.201 -1.600) 5.627 10.198 ( -1.624 -1.479 2.132) 3.061 10.397 ( -1.283 1.411 3.161) 3.691 10.540 ( -0.313 1.729 5.469) 5.744 11.129 ( -0.454 -2.142 4.544) 5.044 11.469 ( 1.197 0.979 -7.836) 7.987 11.634 ( 9.036 -5.878 -2.048) 10.973 11.993 ( 9.936 10.654 17.070) 22.442 12.132 ( 1.004 -3.949 -3.696) 5.501 12.890 ( 8.482 0.651 -4.585) 9.664 13.090 ( 13.753 -0.874 6.669) 15.310 13.726 ( -4.057 4.148 -2.379) 6.271 14.153 ( -1.292 2.660 1.708) 3.415 14.861 ( -5.010 19.209 -1.711) 19.925 16.367 ( -0.282 -18.760 -4.123) 19.209 ======================= Grid point 270 (120/468) ======================= q-point: (-0.36 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -15.395 20.131 -1.139) 25.369 1.690 ( -17.066 21.545 6.162) 28.167 3.020 ( -13.061 34.031 1.237) 36.472 3.453 ( -0.267 -12.617 5.268) 13.676 3.571 ( -4.727 -20.575 -8.204) 22.649 4.505 ( 4.475 -0.106 2.534) 5.144 4.854 ( 4.955 9.039 -0.400) 10.316 5.136 ( -6.177 -14.618 -4.794) 16.577 5.198 ( 1.792 0.731 1.727) 2.594 5.443 ( -8.124 -2.291 3.186) 9.022 5.550 ( -13.139 5.683 -2.036) 14.460 6.675 ( 1.199 5.430 0.728) 5.608 6.790 ( 2.052 -3.801 2.309) 4.898 6.799 ( 6.350 -2.545 1.383) 6.980 7.592 ( -0.954 -1.963 -4.401) 4.913 8.280 ( 4.273 7.322 2.739) 8.909 8.555 ( 7.885 -14.671 -6.307) 17.810 8.730 ( 1.683 -7.969 9.345) 12.396 8.957 ( -9.823 -7.773 -1.500) 12.616 9.476 ( -4.440 -4.776 0.870) 6.579 9.687 ( -7.460 0.162 -4.246) 8.585 9.974 ( 6.171 8.725 -2.572) 10.992 10.230 ( -0.849 0.777 4.323) 4.473 10.370 ( -1.826 0.346 0.409) 1.903 10.655 ( 4.286 -2.438 3.473) 6.031 11.108 ( -3.941 -2.688 -8.321) 9.592 11.348 ( 1.508 5.555 -3.476) 6.724 11.764 ( 6.894 -1.947 -1.657) 7.353 12.133 ( -2.125 -3.054 6.344) 7.355 12.256 ( 16.815 9.064 4.368) 19.596 12.963 ( 10.128 4.784 0.863) 11.234 13.363 ( 17.524 3.889 5.566) 18.793 13.569 ( -5.780 3.651 -6.697) 9.570 14.084 ( -1.976 1.515 -5.488) 6.026 14.616 ( -7.045 17.827 0.649) 19.180 16.469 ( -7.638 -21.100 0.932) 22.459 ======================= Grid point 271 (121/468) ======================= q-point: (-0.27 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -13.471 23.667 -0.664) 27.241 1.423 ( -16.084 21.521 12.271) 29.537 2.532 ( -18.393 47.230 13.442) 52.437 3.626 ( -2.098 -22.023 -5.242) 22.735 3.680 ( -0.585 -18.909 9.092) 20.990 4.519 ( 0.476 5.721 -0.635) 5.776 4.854 ( 2.982 10.024 3.444) 11.011 5.069 ( -9.972 0.355 -0.129) 9.979 5.278 ( -0.010 -2.454 3.637) 4.388 5.392 ( -2.327 -3.170 -2.547) 4.685 5.483 ( -1.543 -11.997 4.907) 13.054 6.576 ( -0.689 5.800 -4.952) 7.657 6.848 ( 2.487 -2.368 -1.002) 3.577 6.930 ( 1.733 -3.092 1.671) 3.918 7.580 ( 5.806 0.837 -4.199) 7.214 8.215 ( 1.490 12.638 -1.370) 12.799 8.681 ( 2.827 -10.793 -2.793) 11.501 8.911 ( -6.643 -8.849 0.550) 11.079 8.986 ( 5.408 -12.478 -0.942) 13.632 9.445 ( -4.131 -4.409 7.222) 9.416 9.643 ( -8.374 -9.485 3.338) 13.085 9.968 ( 7.753 10.459 1.271) 13.081 10.226 ( -5.106 3.644 3.460) 7.164 10.400 ( 0.104 -4.221 0.927) 4.322 10.637 ( 4.045 0.312 -15.655) 16.173 11.049 ( 4.265 -1.368 1.351) 4.678 11.324 ( -1.058 3.946 4.130) 5.809 11.760 ( -4.499 6.749 2.703) 8.550 12.243 ( 1.326 -16.045 -2.871) 16.354 12.349 ( 20.960 18.355 -12.297) 30.454 13.030 ( 4.841 8.636 0.597) 9.918 13.382 ( -0.008 3.773 -7.571) 8.460 13.544 ( 13.179 9.503 -2.839) 16.494 14.007 ( 1.654 -0.073 -2.192) 2.747 14.411 ( -8.920 13.345 4.694) 16.724 16.575 ( -13.340 -23.725 8.095) 28.396 ======================= Grid point 272 (122/468) ======================= q-point: (-0.18 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( -0.727 26.349 10.304) 28.301 1.258 ( -11.191 20.166 19.679) 30.318 2.189 ( -14.932 41.152 27.302) 51.593 3.751 ( -0.315 -21.681 -2.876) 21.873 3.957 ( -3.112 -20.872 8.753) 22.846 4.472 ( -0.352 3.501 1.878) 3.988 4.746 ( -4.110 11.980 -4.377) 13.401 5.049 ( -0.468 3.135 14.198) 14.547 5.317 ( -3.272 1.152 6.131) 7.044 5.376 ( 1.938 -4.421 -7.441) 8.870 5.691 ( 0.560 -14.512 5.228) 15.435 6.499 ( 2.986 7.303 -0.762) 7.927 6.853 ( 0.554 -0.852 -4.198) 4.319 6.894 ( 1.448 -0.009 -9.950) 10.055 7.598 ( 1.910 1.017 0.269) 2.180 8.094 ( 0.380 13.680 -1.567) 13.774 8.709 ( -1.269 -2.271 -2.785) 3.811 8.972 ( 2.053 -4.541 2.133) 5.420 9.077 ( 3.328 -21.114 -5.162) 21.989 9.587 ( -5.561 1.091 8.033) 9.831 9.718 ( -1.664 -15.861 5.657) 16.922 10.000 ( 0.627 8.572 1.754) 8.772 10.108 ( -8.825 -1.871 -3.245) 9.587 10.364 ( 1.720 0.386 -3.348) 3.784 10.639 ( 12.588 -1.378 -3.624) 13.172 11.143 ( 2.943 -0.957 0.513) 3.137 11.360 ( -6.952 0.231 8.350) 10.867 11.662 ( -5.410 9.809 8.380) 13.989 11.987 ( 11.944 28.813 -36.707) 48.169 12.416 ( 4.386 -14.046 -2.570) 14.938 12.949 ( -3.061 5.706 -1.540) 6.656 13.301 ( 7.152 7.005 -10.841) 14.756 13.516 ( 0.417 4.421 -0.045) 4.441 14.044 ( 4.426 2.297 0.136) 4.989 14.303 ( -5.155 10.372 7.134) 13.603 16.782 ( -6.556 -26.419 9.891) 28.962 ======================= Grid point 273 (123/468) ======================= q-point: (-0.09 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 14.581 9.353 24.081) 29.665 1.326 ( -1.236 13.273 26.122) 29.327 2.143 ( -4.308 28.933 32.161) 43.475 3.909 ( 1.639 -18.732 -0.906) 18.825 4.088 ( -6.878 -12.075 -0.278) 13.899 4.487 ( -1.137 6.763 -0.249) 6.863 4.582 ( -0.054 2.280 0.701) 2.385 5.223 ( -1.763 -1.870 -9.390) 9.736 5.307 ( 2.858 -3.609 15.782) 16.440 5.403 ( -0.367 5.393 9.195) 10.666 5.820 ( -4.702 -13.316 1.420) 14.193 6.422 ( -0.488 14.326 -0.015) 14.334 6.805 ( 6.377 -0.115 -9.227) 11.217 6.827 ( 2.571 -1.444 -6.735) 7.352 7.629 ( -2.980 -2.179 6.991) 7.905 7.979 ( -0.473 12.225 2.420) 12.472 8.718 ( 5.665 1.146 0.229) 5.785 8.984 ( -3.469 -13.607 -12.476) 18.784 9.268 ( -1.325 -8.618 3.299) 9.323 9.585 ( 3.227 -0.918 1.100) 3.531 9.746 ( -15.575 4.096 -1.609) 16.185 9.914 ( 2.182 -13.470 1.648) 13.745 10.143 ( 7.138 1.853 0.743) 7.412 10.382 ( -0.985 -2.192 0.296) 2.421 10.741 ( 8.102 -2.742 -6.628) 10.821 11.043 ( -7.723 18.874 -13.778) 24.611 11.206 ( -11.390 -2.784 7.695) 14.025 11.552 ( 8.727 22.821 -11.559) 27.029 11.840 ( 8.207 0.062 18.449) 20.192 12.511 ( -2.019 -12.548 -5.317) 13.776 12.873 ( 1.070 1.111 -2.617) 3.038 13.141 ( 2.908 7.919 -12.196) 14.829 13.499 ( -6.435 1.028 5.453) 8.497 14.055 ( -2.441 1.622 -0.263) 2.943 14.251 ( 2.859 9.432 3.077) 10.325 17.012 ( 1.848 -18.942 -3.273) 19.311 ======================= Grid point 276 (124/468) ======================= q-point: ( 0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.413 ( 2.273 -0.000 5.614) 6.057 2.459 ( -6.629 0.000 21.501) 22.500 3.357 ( -0.640 0.000 -1.926) 2.030 3.648 ( -0.403 0.000 -6.006) 6.019 3.763 ( -11.775 0.000 -6.010) 13.220 4.309 ( -4.595 0.000 -0.416) 4.614 4.686 ( 16.692 -0.000 -2.157) 16.830 4.896 ( 2.077 -0.000 -4.602) 5.049 5.592 ( 0.933 -0.000 -10.092) 10.135 5.722 ( 7.870 -0.000 11.480) 13.918 6.074 ( -1.513 0.000 5.410) 5.617 6.483 ( 4.692 -0.000 -3.995) 6.162 6.580 ( 2.182 -0.000 -5.993) 6.378 6.602 ( 4.743 -0.000 -5.697) 7.413 7.735 ( -2.362 0.000 -8.434) 8.759 8.069 ( -10.722 0.000 6.649) 12.616 8.655 ( -0.248 0.000 -7.072) 7.076 8.831 ( 0.002 -0.000 6.474) 6.474 9.011 ( -0.149 0.000 4.769) 4.772 9.774 ( -8.927 0.000 -1.884) 9.123 9.852 ( -8.601 0.000 8.830) 12.326 9.871 ( 7.952 -0.000 2.400) 8.306 10.295 ( 4.832 -0.000 -2.304) 5.353 10.300 ( -2.548 0.000 4.976) 5.591 10.633 ( 8.208 -0.000 9.452) 12.518 10.751 ( -1.548 0.000 0.730) 1.711 11.132 ( -12.590 0.000 1.383) 12.666 11.478 ( 6.032 -0.000 -0.450) 6.049 11.795 ( -9.852 0.000 -2.319) 10.121 12.296 ( 6.003 -0.000 -10.465) 12.065 12.739 ( -6.314 0.000 -4.747) 7.899 13.026 ( 0.854 -0.000 -6.140) 6.199 13.711 ( 6.240 -0.000 5.906) 8.591 13.790 ( 4.940 -0.000 9.392) 10.612 14.985 ( 5.487 -0.000 12.515) 13.664 16.524 ( 2.560 -0.000 -21.411) 21.564 ======================= Grid point 277 (125/468) ======================= q-point: (-0.73 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -3.013 6.561 4.004) 8.255 2.602 ( -9.046 -3.008 15.300) 18.027 3.275 ( -4.600 3.070 -7.185) 9.067 3.453 ( -8.034 0.175 -8.843) 11.949 3.590 ( -2.032 -3.430 -9.987) 10.754 4.412 ( 0.684 -7.683 11.147) 13.556 4.820 ( 2.174 1.105 -1.278) 2.753 4.878 ( 9.929 -4.626 -6.009) 12.494 5.455 ( 2.125 4.547 -11.422) 12.476 5.949 ( 5.460 3.607 10.128) 12.058 6.085 ( -2.698 3.014 1.808) 4.430 6.414 ( 1.999 2.296 -4.890) 5.760 6.544 ( 4.753 3.811 -4.452) 7.546 6.647 ( 3.112 -6.479 -4.040) 8.245 7.641 ( 0.834 -2.048 -5.136) 5.592 7.975 ( -14.466 -5.424 0.249) 15.451 8.591 ( 1.291 0.443 -4.636) 4.833 8.808 ( -6.468 1.732 0.299) 6.702 9.086 ( 1.215 1.504 5.404) 5.739 9.622 ( -9.026 1.645 -2.151) 9.424 9.919 ( -5.792 -1.245 11.773) 13.179 9.963 ( 3.747 -1.500 0.103) 4.037 10.309 ( 3.606 4.848 -0.589) 6.071 10.332 ( -1.308 4.033 5.527) 6.966 10.748 ( -3.422 1.952 2.648) 4.747 10.826 ( 2.022 -5.647 5.088) 7.866 11.103 ( -0.362 -5.914 7.062) 9.218 11.497 ( 5.980 3.298 -5.054) 8.496 11.720 ( -2.439 1.841 5.614) 6.392 12.264 ( 5.861 -0.645 -9.439) 11.129 12.642 ( 1.514 -3.366 -4.647) 5.934 12.959 ( 2.338 -0.820 -8.051) 8.424 13.832 ( 3.520 2.807 5.304) 6.957 13.984 ( 3.520 -0.788 10.776) 11.364 15.193 ( 1.662 1.745 13.663) 13.874 16.280 ( 2.577 -1.047 -22.501) 22.673 ======================= Grid point 278 (126/468) ======================= q-point: (-0.64 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( -7.214 11.680 5.670) 14.853 2.658 ( -7.288 2.603 6.599) 10.171 2.977 ( -14.058 0.212 -8.976) 16.681 3.365 ( -3.315 -12.862 -9.937) 16.588 3.532 ( 6.203 1.681 -2.363) 6.847 4.593 ( 4.664 2.686 3.666) 6.512 4.779 ( -7.449 -12.540 -2.676) 14.829 5.017 ( 8.205 -3.386 1.737) 9.044 5.300 ( 3.000 8.524 -8.734) 12.567 5.948 ( -8.601 7.885 -4.742) 12.595 5.998 ( -2.992 9.505 4.690) 11.013 6.443 ( 1.316 -5.494 1.923) 5.968 6.543 ( 6.781 2.112 -2.120) 7.412 6.689 ( 3.582 -3.336 -0.960) 4.988 7.678 ( 4.716 -8.738 -2.110) 10.151 7.821 ( -13.147 -4.394 -3.586) 14.318 8.546 ( -0.962 -0.105 -2.805) 2.967 8.705 ( -6.380 -0.677 -1.749) 6.650 9.115 ( -0.503 6.277 2.276) 6.696 9.504 ( -5.750 1.898 1.959) 6.364 9.944 ( -0.147 -0.324 -1.790) 1.825 10.010 ( -5.740 -5.090 2.835) 8.179 10.268 ( 1.356 6.951 -1.390) 7.217 10.369 ( -0.080 1.951 5.638) 5.966 10.666 ( -7.613 4.481 2.280) 9.124 10.949 ( -1.250 -8.458 4.872) 9.841 11.327 ( 8.522 -4.450 8.579) 12.885 11.479 ( 4.851 -2.103 -8.501) 10.011 11.862 ( 8.636 6.374 16.091) 19.342 12.187 ( 4.289 -0.216 -12.006) 12.750 12.750 ( 10.497 -3.068 3.297) 11.423 12.914 ( 6.062 -1.229 -7.619) 9.813 13.872 ( -0.618 4.227 2.637) 5.021 14.133 ( 1.258 -0.061 7.166) 7.276 15.295 ( -2.994 9.832 9.790) 14.194 16.088 ( 2.229 -8.847 -17.777) 19.982 ======================= Grid point 279 (127/468) ======================= q-point: (-0.55 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -9.587 16.142 5.879) 19.674 2.411 ( -12.739 17.583 -5.978) 22.521 2.919 ( -5.585 -14.770 4.421) 16.398 3.292 ( -4.293 -13.660 -11.262) 18.218 3.639 ( 11.807 3.631 2.210) 12.549 4.565 ( 0.638 6.372 -2.801) 6.990 4.781 ( -5.186 -11.409 -3.669) 13.058 5.129 ( -1.358 4.678 3.897) 6.238 5.197 ( 4.501 3.731 -2.270) 6.272 5.667 ( -12.708 8.123 -4.095) 15.628 5.882 ( -10.964 6.248 1.614) 12.722 6.527 ( -1.035 -7.966 2.952) 8.558 6.632 ( 8.213 0.306 1.394) 8.337 6.770 ( 5.777 -1.561 -0.546) 6.009 7.645 ( -8.706 -2.883 -5.799) 10.850 7.855 ( 7.750 -12.797 2.727) 15.208 8.510 ( -1.978 -2.436 -1.339) 3.412 8.630 ( -3.715 -1.448 -1.461) 4.247 9.019 ( -6.003 6.310 -0.953) 8.761 9.488 ( -2.325 3.694 5.086) 6.702 9.879 ( -1.376 -0.009 -8.960) 9.065 9.986 ( -7.752 -6.942 2.048) 10.606 10.231 ( 3.736 5.221 -1.097) 6.513 10.414 ( 0.309 0.114 2.092) 2.117 10.588 ( -4.936 3.120 4.583) 7.423 11.062 ( 0.076 -4.878 4.012) 6.316 11.422 ( -0.532 -5.814 -10.106) 11.671 11.548 ( 9.211 -2.649 3.674) 10.264 12.113 ( 8.121 1.273 -8.156) 11.580 12.167 ( 9.239 7.966 18.328) 22.017 12.905 ( 11.892 1.437 -2.226) 12.184 13.059 ( 16.196 -2.687 6.166) 17.537 13.806 ( -4.659 4.856 -1.605) 6.918 14.182 ( -0.681 0.678 0.048) 0.962 15.178 ( -5.814 17.713 0.950) 18.667 16.063 ( -1.637 -16.794 -5.935) 17.887 ======================= Grid point 280 (128/468) ======================= q-point: (-0.45 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -10.143 20.416 -2.337) 22.916 2.053 ( -13.549 19.987 4.317) 24.529 3.079 ( -1.132 -13.302 6.769) 14.968 3.234 ( -3.764 -16.066 -8.973) 18.783 3.705 ( 6.174 22.506 2.321) 23.453 4.520 ( 1.081 3.699 4.272) 5.753 4.758 ( -2.769 -17.225 -9.037) 19.648 5.060 ( -0.882 7.693 1.046) 7.814 5.225 ( -1.771 2.099 3.482) 4.435 5.458 ( -10.621 2.068 2.100) 11.023 5.665 ( -14.735 6.804 -1.016) 16.262 6.646 ( -2.882 -12.490 4.646) 13.634 6.739 ( 7.289 1.398 -0.287) 7.427 6.800 ( 3.549 2.491 -2.446) 4.979 7.548 ( 0.009 -2.566 -3.803) 4.587 8.154 ( 10.703 -17.341 4.556) 20.882 8.488 ( -0.075 0.698 -2.898) 2.982 8.617 ( -2.306 -5.417 2.113) 6.255 8.873 ( -9.332 1.815 -0.434) 9.517 9.469 ( -4.193 3.019 3.077) 6.014 9.703 ( -8.669 0.941 -5.896) 10.526 10.026 ( 1.834 -5.447 0.391) 5.761 10.232 ( 2.605 3.088 1.039) 4.171 10.407 ( -1.404 2.982 0.067) 3.296 10.627 ( 3.370 -1.058 2.744) 4.473 11.070 ( -0.676 -1.762 -7.401) 7.638 11.363 ( -2.753 -3.224 -0.535) 4.273 11.704 ( 9.340 -4.414 -1.213) 10.402 12.089 ( 1.350 1.634 -2.477) 3.260 12.417 ( 11.578 6.110 8.184) 15.439 13.059 ( 16.100 6.321 2.948) 17.546 13.392 ( 19.008 -0.396 6.372) 20.051 13.650 ( -5.064 5.618 -4.097) 8.602 14.104 ( -2.033 0.692 -8.139) 8.417 14.929 ( -7.858 18.427 -0.835) 20.050 16.135 ( -8.036 -18.265 1.939) 20.049 ======================= Grid point 281 (129/468) ======================= q-point: (-0.36 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -7.326 23.866 -0.821) 24.978 1.806 ( -12.155 22.805 9.820) 27.645 3.173 ( -3.129 1.093 -0.046) 3.315 3.321 ( -0.944 -11.612 5.461) 12.867 3.485 ( -5.978 19.775 3.516) 20.956 4.578 ( 3.656 0.430 -2.962) 4.725 4.864 ( 3.369 -20.262 0.364) 20.543 5.009 ( -2.286 6.008 2.249) 6.810 5.224 ( -2.179 -0.796 3.830) 4.478 5.402 ( -10.544 4.737 2.089) 11.746 5.427 ( -8.217 1.475 5.499) 9.997 6.643 ( -1.211 -0.016 -7.189) 7.291 6.814 ( 0.246 -1.593 4.554) 4.830 6.847 ( 3.324 -4.279 -0.313) 5.428 7.572 ( 6.648 -2.020 -4.078) 8.056 8.407 ( 1.267 5.161 -6.242) 8.198 8.451 ( 7.872 -12.149 0.798) 14.498 8.721 ( -2.105 -14.570 -0.408) 14.727 8.787 ( -7.701 -5.205 6.317) 11.239 9.437 ( -3.406 2.343 5.084) 6.552 9.561 ( -8.293 -1.112 2.047) 8.614 10.092 ( 5.014 1.521 0.115) 5.241 10.284 ( 0.995 -0.079 4.116) 4.235 10.338 ( -5.493 1.597 -1.127) 5.830 10.654 ( 7.777 1.654 -11.364) 13.869 11.017 ( 3.448 -2.465 -1.471) 4.487 11.359 ( -5.454 0.627 5.037) 7.451 11.829 ( 7.894 -3.707 -2.857) 9.177 12.059 ( -2.416 -0.766 0.379) 2.562 12.532 ( 11.557 5.066 -6.988) 14.424 13.185 ( 9.858 8.650 -4.052) 13.727 13.444 ( 0.199 3.409 -3.056) 4.583 13.687 ( 13.188 7.291 -6.143) 16.274 14.001 ( 3.339 -0.545 -1.367) 3.649 14.676 ( -9.525 16.847 3.189) 19.614 16.219 ( -12.284 -18.477 7.786) 23.514 ======================= Grid point 282 (130/468) ======================= q-point: (-0.27 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.174 26.813 7.117) 27.742 1.621 ( -9.927 22.203 14.987) 28.568 2.944 ( -7.687 42.641 13.237) 45.306 3.407 ( 1.160 -16.180 -1.544) 16.295 3.593 ( -5.026 -20.493 8.474) 22.738 4.537 ( 2.062 1.805 -5.545) 6.186 4.915 ( -3.298 7.700 -3.094) 8.929 5.069 ( 0.755 -5.541 8.214) 9.937 5.262 ( -3.206 -1.900 -0.355) 3.743 5.332 ( 0.965 -6.409 5.488) 8.493 5.498 ( -4.481 -1.833 11.968) 12.910 6.579 ( 5.489 3.221 -2.670) 6.902 6.832 ( 1.190 -1.001 -3.580) 3.903 6.870 ( -3.501 -3.498 -3.750) 6.210 7.607 ( 3.172 -0.656 -2.624) 4.169 8.293 ( 1.876 9.017 -4.666) 10.324 8.609 ( 5.446 -8.459 -1.230) 10.136 8.741 ( -4.540 -17.058 -5.910) 18.615 8.887 ( -2.873 -6.873 5.911) 9.509 9.491 ( -2.081 -7.725 3.005) 8.546 9.602 ( -3.099 0.870 14.935) 15.278 10.139 ( -3.375 1.284 -3.566) 5.075 10.144 ( -1.471 8.198 -1.983) 8.562 10.349 ( 0.723 -1.216 0.818) 1.635 10.627 ( 10.647 0.133 -7.193) 12.850 11.108 ( 2.389 -2.849 2.220) 4.331 11.361 ( -5.765 0.052 8.131) 9.967 11.833 ( -0.194 7.499 -1.707) 7.693 12.093 ( 2.378 -9.188 -3.228) 10.025 12.401 ( 8.701 9.471 -22.838) 26.210 13.063 ( 0.491 7.015 -8.915) 11.355 13.425 ( 7.734 7.633 -9.598) 14.498 13.570 ( -1.432 1.702 -5.260) 5.711 14.090 ( 3.955 2.931 0.801) 4.987 14.532 ( -3.847 15.838 9.797) 19.016 16.377 ( -7.379 -20.948 11.313) 24.925 ======================= Grid point 283 (131/468) ======================= q-point: (-0.18 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 6.691 21.129 16.658) 27.725 1.587 ( -4.584 17.157 21.457) 27.853 2.747 ( 0.764 38.881 19.788) 43.633 3.586 ( 4.097 -18.638 0.045) 19.083 3.777 ( -9.269 -21.735 4.754) 24.103 4.502 ( 1.829 0.181 -1.493) 2.368 4.751 ( 0.370 11.043 -5.965) 12.557 5.212 ( -0.898 -0.905 0.365) 1.326 5.253 ( 0.249 -4.216 6.696) 7.917 5.478 ( 1.174 -1.713 8.966) 9.204 5.593 ( -5.472 -5.155 7.421) 10.564 6.611 ( 0.536 7.572 -0.836) 7.637 6.786 ( 4.615 -2.493 -7.545) 9.189 6.797 ( 3.079 -1.565 -4.953) 6.039 7.605 ( -4.572 -1.251 3.658) 5.988 8.186 ( 1.155 10.862 -1.678) 11.051 8.676 ( -4.847 -9.975 -4.021) 11.796 8.760 ( 7.646 -9.922 -9.679) 15.830 9.052 ( 0.190 -10.995 9.525) 14.548 9.572 ( -2.314 -5.866 4.483) 7.737 9.727 ( -1.427 -3.626 4.857) 6.227 9.866 ( -6.195 9.096 -6.014) 12.541 10.201 ( 4.490 3.255 2.837) 6.229 10.369 ( -0.863 -0.343 0.867) 1.270 10.683 ( 5.572 -3.138 -4.225) 7.664 11.153 ( -6.542 -3.055 5.212) 8.905 11.293 ( -8.486 10.111 -6.229) 14.596 11.761 ( 1.385 -0.116 -2.221) 2.621 12.023 ( 14.366 19.467 -11.252) 26.682 12.281 ( -2.027 -12.127 -2.386) 12.524 12.917 ( -0.414 3.516 -6.816) 7.681 13.260 ( 5.841 5.713 -15.785) 17.774 13.531 ( -5.662 2.781 4.663) 7.844 14.082 ( -2.744 1.518 1.555) 3.500 14.477 ( 0.289 16.147 5.201) 16.966 16.644 ( 1.835 -22.177 4.262) 22.657 ======================= Grid point 284 (132/468) ======================= q-point: (-0.09 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 6.783 7.624 22.970) 25.135 1.737 ( 1.204 9.952 23.467) 25.519 2.798 ( 12.825 29.106 20.488) 37.834 3.806 ( 3.378 -16.232 -0.255) 16.582 3.840 ( -8.258 -16.832 0.446) 18.755 4.515 ( -1.376 3.751 -0.258) 4.003 4.627 ( 6.050 3.880 -5.126) 8.828 5.083 ( -2.619 6.214 -8.029) 10.485 5.473 ( -0.886 -14.146 10.078) 17.392 5.581 ( -2.544 8.632 10.619) 13.919 5.664 ( 0.181 -7.725 3.982) 8.693 6.444 ( -4.237 7.246 -5.221) 9.885 6.748 ( 1.696 -2.211 -6.252) 6.845 6.864 ( 8.700 5.386 -3.885) 10.945 7.662 ( -2.440 -5.836 9.288) 11.237 8.115 ( 1.159 10.280 3.153) 10.815 8.592 ( -6.804 -11.719 -10.420) 17.094 8.837 ( 7.998 -1.303 -3.540) 8.843 9.169 ( -10.590 -6.648 3.035) 12.867 9.625 ( 7.199 6.608 -4.795) 10.885 9.693 ( -0.394 -5.031 4.337) 6.654 9.885 ( 3.332 -7.904 3.035) 9.099 10.259 ( 2.424 2.569 2.175) 4.148 10.328 ( -4.661 0.389 -1.062) 4.796 10.694 ( 3.123 -0.256 -8.846) 9.385 10.878 ( -20.342 8.727 0.090) 22.136 11.211 ( 0.769 -0.040 2.153) 2.287 11.656 ( 3.268 12.155 -8.664) 15.280 12.111 ( 4.297 -4.576 5.236) 8.174 12.333 ( 0.789 -5.917 0.971) 6.047 12.820 ( 0.657 -0.136 -7.397) 7.427 13.137 ( 4.325 6.197 -5.013) 9.069 13.480 ( -6.730 1.879 3.718) 7.915 14.000 ( -7.635 4.566 -1.853) 9.087 14.449 ( 6.986 10.196 3.796) 12.930 16.837 ( 4.187 -16.350 -7.041) 18.288 ======================= Grid point 288 (133/468) ======================= q-point: ( 0.27 -0.73 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 1.829 -0.000 4.177) 4.560 2.573 ( -16.128 0.000 11.232) 19.654 3.056 ( -14.957 0.000 -16.999) 22.643 3.223 ( 1.161 -0.000 -7.028) 7.123 3.550 ( 3.969 -0.000 -2.106) 4.493 4.598 ( 2.244 -0.000 18.081) 18.220 4.674 ( -4.124 0.000 -12.557) 13.217 4.987 ( 9.134 -0.000 0.846) 9.173 5.377 ( 2.713 -0.000 -8.707) 9.120 5.972 ( -9.930 0.000 -0.622) 9.949 6.187 ( 1.715 -0.000 5.417) 5.682 6.342 ( -3.463 0.000 -5.042) 6.117 6.579 ( 7.762 -0.000 -4.677) 9.062 6.640 ( 4.346 -0.000 -0.105) 4.348 7.594 ( 1.649 -0.000 -2.697) 3.161 7.785 ( -11.746 0.000 0.167) 11.747 8.551 ( 0.202 -0.000 -3.958) 3.964 8.680 ( -8.769 0.000 -3.304) 9.370 9.211 ( 2.648 -0.000 7.144) 7.619 9.490 ( -7.163 0.000 -2.647) 7.637 9.949 ( -9.727 0.000 7.691) 12.400 9.962 ( 2.518 -0.000 -4.400) 5.069 10.359 ( 2.940 -0.000 -1.066) 3.128 10.367 ( -6.159 0.000 3.216) 6.948 10.728 ( -11.617 0.000 3.360) 12.093 10.834 ( 5.236 -0.000 4.420) 6.853 11.292 ( 9.423 -0.000 11.014) 14.495 11.460 ( 4.533 -0.000 -12.181) 12.997 11.921 ( 8.038 -0.000 17.567) 19.319 12.186 ( 5.580 -0.000 -12.289) 13.497 12.722 ( 12.288 -0.000 3.847) 12.876 12.902 ( 6.288 -0.000 -8.042) 10.208 13.913 ( -1.222 0.000 3.037) 3.274 14.128 ( 1.935 -0.000 6.660) 6.935 15.385 ( -2.795 0.000 16.032) 16.274 16.007 ( 1.406 -0.000 -23.564) 23.606 ======================= Grid point 290 (134/468) ======================= q-point: (-0.64 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.438 ( -11.183 10.751 8.216) 17.554 2.622 ( -6.571 4.611 -8.227) 11.495 2.713 ( -6.182 -7.477 2.502) 10.019 3.142 ( -0.415 -3.890 -10.209) 10.933 3.642 ( 9.621 -1.154 2.514) 10.011 4.468 ( -4.598 -7.357 -14.926) 17.264 4.831 ( 1.381 6.432 16.553) 17.812 5.115 ( 4.058 -2.190 4.984) 6.790 5.310 ( 1.757 4.803 -3.396) 6.139 5.763 ( -13.039 2.370 -7.873) 15.415 6.053 ( -11.269 14.364 -0.449) 18.263 6.323 ( -7.566 -15.231 -1.203) 17.049 6.652 ( 9.251 1.516 0.104) 9.375 6.735 ( 7.769 -2.054 0.764) 8.073 7.606 ( -1.017 -1.434 -2.053) 2.703 7.703 ( -2.246 -4.396 2.318) 5.453 8.493 ( -2.379 0.529 -2.283) 3.339 8.559 ( -5.844 -4.258 -3.526) 8.045 9.228 ( -1.777 14.770 2.561) 15.096 9.461 ( -1.899 -8.248 2.606) 8.856 9.872 ( -5.167 -0.141 -4.628) 6.939 9.895 ( -9.450 -2.483 -0.867) 9.809 10.322 ( 3.017 4.929 -0.772) 5.830 10.391 ( 1.425 -2.882 0.242) 3.224 10.628 ( -8.889 1.322 3.539) 9.659 10.992 ( 4.228 -2.506 6.625) 8.249 11.339 ( 2.695 -2.797 -15.052) 15.545 11.523 ( 5.476 -0.672 8.882) 10.456 12.137 ( 10.591 1.047 -10.594) 15.017 12.258 ( 7.638 2.640 17.983) 19.716 12.944 ( 15.432 3.045 0.900) 15.756 13.003 ( 16.734 -3.612 4.684) 17.749 13.873 ( -5.442 2.419 -0.897) 6.023 14.181 ( 0.400 -0.333 -1.232) 1.338 15.455 ( -6.649 13.643 8.908) 17.598 15.799 ( -1.634 -13.195 -13.261) 18.778 ======================= Grid point 291 (135/468) ======================= q-point: (-0.55 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -8.636 13.601 -5.496) 17.022 2.332 ( -12.636 11.377 6.496) 18.201 2.887 ( 3.062 -7.688 7.135) 10.927 3.040 ( -0.907 -6.088 -10.069) 11.802 3.856 ( 14.061 -1.417 4.415) 14.805 4.355 ( -1.158 -16.463 -12.325) 20.597 4.879 ( -5.188 21.878 11.768) 25.378 5.183 ( -4.302 5.111 3.928) 7.750 5.268 ( 2.113 3.812 1.049) 4.483 5.484 ( -12.354 0.721 -3.047) 12.744 5.780 ( -15.295 7.149 -1.413) 16.942 6.359 ( -9.314 -20.209 1.209) 22.285 6.760 ( 9.098 1.442 -0.119) 9.212 6.842 ( 7.306 1.407 -1.142) 7.528 7.538 ( -1.020 2.350 -1.776) 3.117 7.865 ( 4.924 -15.354 3.424) 16.484 8.456 ( -2.289 -2.405 0.256) 3.330 8.509 ( -4.038 -6.074 -2.041) 7.574 9.064 ( -3.828 17.113 0.503) 17.543 9.520 ( -3.706 0.508 3.978) 5.461 9.704 ( -7.786 -1.124 -7.517) 10.880 9.854 ( -5.099 -10.810 1.935) 12.108 10.311 ( 3.039 4.311 -0.943) 5.358 10.447 ( 2.046 1.452 0.141) 2.512 10.612 ( 1.842 -0.769 3.600) 4.117 11.047 ( 1.298 -0.958 -8.970) 9.114 11.283 ( 2.540 -4.598 -0.724) 5.303 11.645 ( -0.286 -2.233 3.873) 4.480 12.148 ( 11.068 3.780 -7.035) 13.649 12.472 ( 5.310 1.114 7.277) 9.077 13.171 ( 17.911 6.506 5.668) 19.881 13.357 ( 19.457 -3.443 6.285) 20.735 13.743 ( -4.016 4.638 -1.913) 6.426 14.106 ( -1.019 -0.395 -10.566) 10.622 15.235 ( -7.272 17.134 -3.621) 18.962 15.840 ( -8.600 -16.386 4.638) 19.078 ======================= Grid point 292 (136/468) ======================= q-point: (-0.45 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -4.572 17.880 -1.503) 18.516 2.171 ( -10.910 18.504 9.860) 23.636 2.964 ( 1.505 -11.245 -8.272) 14.040 3.110 ( 0.078 -9.726 8.091) 12.652 3.986 ( 8.441 15.601 -3.739) 18.128 4.466 ( 4.209 -23.281 0.207) 23.659 4.653 ( -8.885 16.373 2.333) 18.774 5.127 ( -5.626 7.369 4.487) 10.300 5.243 ( -3.384 1.701 3.585) 5.216 5.440 ( -3.835 0.599 8.335) 9.194 5.516 ( -13.505 6.655 -1.175) 15.102 6.462 ( -6.402 -19.286 2.245) 20.444 6.832 ( 6.372 1.388 -2.518) 6.991 6.853 ( 3.658 4.797 -2.224) 6.430 7.532 ( 3.688 -1.368 -1.767) 4.312 8.106 ( 4.346 -20.911 -2.028) 21.454 8.473 ( -0.506 -3.148 0.629) 3.249 8.521 ( -2.895 -8.155 1.751) 8.829 8.879 ( -4.514 15.327 1.784) 16.077 9.494 ( -3.697 3.686 3.831) 6.475 9.561 ( -6.818 0.059 1.233) 6.929 9.963 ( -0.144 -13.633 1.039) 13.673 10.317 ( 2.352 3.530 2.528) 4.938 10.402 ( -4.259 3.600 -0.271) 5.583 10.695 ( 10.293 3.166 -8.036) 13.437 10.959 ( 3.850 -4.354 -6.162) 8.470 11.362 ( -1.855 0.048 5.712) 6.006 11.687 ( -1.804 -8.469 -0.198) 8.661 12.157 ( 8.214 7.721 -3.376) 11.768 12.568 ( 5.902 0.009 -3.484) 6.854 13.309 ( 7.831 5.766 -7.686) 12.395 13.491 ( 2.864 1.960 2.714) 4.405 13.796 ( 9.723 5.524 -10.416) 15.282 13.989 ( 7.366 -0.895 0.389) 7.431 14.964 ( -8.282 16.319 0.612) 18.310 15.931 ( -11.764 -15.480 8.694) 21.298 ======================= Grid point 293 (137/468) ======================= q-point: (-0.36 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 1.629 22.802 5.746) 23.571 1.999 ( -9.472 21.268 11.531) 25.981 3.038 ( 3.300 -15.031 -2.621) 15.611 3.281 ( -4.979 -14.914 6.736) 17.106 3.734 ( -1.984 33.695 -2.054) 33.816 4.514 ( 1.333 -0.831 -4.432) 4.702 4.797 ( 1.211 -21.782 6.180) 22.674 5.029 ( -4.441 6.324 2.192) 8.033 5.278 ( -3.803 1.989 -0.816) 4.369 5.314 ( -3.028 4.480 8.404) 9.994 5.546 ( -1.782 4.360 14.127) 14.891 6.561 ( 1.759 -8.638 0.113) 8.816 6.810 ( 1.285 -0.678 -6.129) 6.299 6.840 ( -0.683 2.084 -0.583) 2.269 7.571 ( 2.028 -2.962 -2.066) 4.141 8.231 ( 3.043 -17.485 -10.667) 20.706 8.517 ( 0.852 -5.237 0.733) 5.357 8.572 ( -1.846 -2.146 0.458) 2.868 8.796 ( -3.852 2.732 8.388) 9.626 9.454 ( -1.548 1.420 1.189) 2.414 9.621 ( -2.440 1.259 14.702) 14.957 10.059 ( -0.910 -10.251 -2.435) 10.575 10.275 ( -3.848 6.724 -3.335) 8.435 10.368 ( 1.362 3.034 4.575) 5.657 10.638 ( 8.173 0.843 -10.888) 13.641 11.055 ( 5.522 -3.053 1.261) 6.435 11.367 ( -6.380 0.716 6.156) 8.894 11.760 ( 1.418 -11.512 -3.203) 12.033 12.124 ( 1.529 9.462 -0.181) 9.587 12.501 ( 5.556 2.346 -16.498) 17.566 13.171 ( 3.595 5.399 -13.074) 14.595 13.547 ( 7.066 4.879 -21.177) 22.852 13.588 ( -2.178 2.085 4.073) 5.067 14.138 ( 3.674 2.510 1.091) 4.581 14.819 ( -2.091 17.205 9.896) 19.958 16.055 ( -7.588 -17.234 9.631) 21.150 ======================= Grid point 294 (138/468) ======================= q-point: (-0.27 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 3.468 23.495 11.159) 26.240 1.900 ( -5.211 18.959 16.055) 25.385 3.217 ( 5.581 -8.992 4.024) 11.322 3.403 ( -9.228 -15.997 5.602) 19.299 3.459 ( 1.350 21.360 0.767) 21.417 4.504 ( 4.631 0.910 -3.837) 6.083 4.889 ( -5.370 -2.056 -2.636) 6.325 5.038 ( -2.529 -8.185 4.245) 9.561 5.239 ( 2.754 1.015 0.479) 2.974 5.440 ( 2.653 1.688 10.837) 11.284 5.659 ( -2.061 6.102 14.195) 15.588 6.693 ( 9.592 0.425 -0.383) 9.609 6.723 ( -1.662 -4.323 -6.344) 7.855 6.776 ( -2.676 0.353 -3.575) 4.480 7.570 ( -4.903 -2.806 1.462) 5.836 8.256 ( 5.343 -8.957 -11.031) 15.181 8.498 ( -6.240 -1.758 -1.934) 6.765 8.639 ( 6.555 -5.472 0.913) 8.587 8.910 ( -1.889 -6.142 10.233) 12.083 9.489 ( 2.580 -0.937 3.815) 4.700 9.726 ( -6.397 1.011 8.267) 10.502 10.004 ( -1.997 4.657 -4.957) 7.089 10.212 ( 2.041 -1.196 0.118) 2.369 10.388 ( -0.778 2.849 1.654) 3.385 10.643 ( 4.016 -1.661 -2.829) 5.186 11.103 ( -5.355 -2.481 2.009) 6.234 11.385 ( -2.153 0.548 2.760) 3.543 11.729 ( -2.787 -3.343 -11.168) 11.986 12.101 ( 0.036 -3.292 2.975) 4.437 12.326 ( 10.156 11.014 -15.420) 21.499 12.987 ( 0.550 4.744 -12.875) 13.732 13.327 ( 6.873 1.914 -18.802) 20.110 13.599 ( -4.006 5.187 5.087) 8.297 14.106 ( -5.195 1.207 1.996) 5.695 14.775 ( -0.628 18.237 6.780) 19.467 16.286 ( 1.967 -19.651 6.285) 20.725 ======================= Grid point 295 (139/468) ======================= q-point: (-0.18 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 0.727 15.182 18.002) 23.561 1.947 ( 1.430 14.602 17.679) 22.974 3.287 ( 8.080 23.811 6.202) 25.898 3.515 ( -8.655 -17.957 5.770) 20.752 3.527 ( 7.396 -16.651 2.311) 18.365 4.516 ( 3.958 2.064 -0.898) 4.553 4.768 ( 1.465 7.085 -7.992) 10.781 5.150 ( -5.776 -16.209 3.931) 17.651 5.231 ( 2.752 6.688 -2.540) 7.665 5.612 ( 5.199 0.018 9.828) 11.118 5.729 ( -3.718 7.755 11.725) 14.541 6.546 ( -4.971 4.334 -6.666) 9.377 6.702 ( -0.745 -2.341 -5.606) 6.121 6.893 ( 10.844 -2.417 -0.770) 11.136 7.574 ( -4.795 -4.418 6.452) 9.173 8.251 ( 4.660 0.889 -4.776) 6.731 8.417 ( -5.510 -4.011 -2.460) 7.245 8.774 ( 6.007 -6.025 -1.313) 8.609 9.050 ( -2.894 -6.239 5.580) 8.857 9.603 ( 0.171 -2.782 5.787) 6.423 9.680 ( 1.646 -0.883 -2.730) 3.308 9.908 ( 0.894 8.410 0.156) 8.459 10.281 ( 2.290 -2.322 2.600) 4.171 10.331 ( -6.691 1.362 -0.753) 6.870 10.670 ( 2.746 -0.644 -1.837) 3.366 10.976 ( -21.264 0.856 0.799) 21.297 11.275 ( 3.027 7.897 -6.857) 10.888 11.672 ( -1.256 -9.264 -5.173) 10.684 12.102 ( -4.793 -0.487 -5.553) 7.352 12.309 ( 14.037 5.991 2.853) 15.527 12.826 ( 0.853 0.801 -9.413) 9.486 13.217 ( 6.325 3.036 -8.823) 11.273 13.538 ( -5.909 4.784 2.871) 8.127 14.053 ( -7.657 1.656 2.341) 8.176 14.675 ( 1.768 15.343 1.923) 15.564 16.536 ( 6.059 -17.887 -2.006) 18.991 ======================= Grid point 296 (140/468) ======================= q-point: (-0.09 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -1.626 5.129 22.400) 23.037 2.102 ( 4.487 8.460 15.448) 18.175 3.280 ( 3.384 5.137 1.287) 6.285 3.632 ( -0.761 -3.558 5.954) 6.978 3.818 ( 10.064 -11.687 5.149) 16.260 4.514 ( -0.559 3.776 -1.987) 4.304 4.658 ( 7.775 2.106 -7.511) 11.014 5.068 ( -2.840 14.108 -3.679) 14.854 5.321 ( -0.006 -18.528 -0.319) 18.531 5.723 ( -5.410 8.073 7.780) 12.449 5.801 ( 5.600 -1.201 7.875) 9.738 6.384 ( -2.194 5.395 -4.192) 7.176 6.653 ( 0.935 -4.307 -7.570) 8.760 6.931 ( 1.340 2.679 -4.005) 5.001 7.705 ( 2.637 -5.625 6.414) 8.929 8.257 ( 2.442 6.516 3.793) 7.925 8.385 ( -2.523 -5.460 0.472) 6.033 8.833 ( 1.941 -3.380 -4.340) 5.833 9.046 ( -6.031 -0.814 0.759) 6.132 9.678 ( -0.195 -8.556 2.225) 8.843 9.743 ( 10.640 5.259 -4.351) 12.641 9.930 ( 3.986 -3.044 3.731) 6.251 10.174 ( -13.117 1.625 -1.619) 13.316 10.368 ( 2.411 -1.003 4.092) 4.855 10.586 ( -4.902 5.163 -8.751) 11.281 10.777 ( -11.830 1.342 9.716) 15.368 11.234 ( 1.641 -0.266 -1.035) 1.958 11.601 ( -3.285 -0.108 -8.224) 8.857 11.976 ( -9.023 -4.230 -3.056) 10.423 12.461 ( 13.176 2.070 -6.342) 14.769 12.789 ( -1.684 0.095 6.890) 7.094 13.191 ( 2.585 3.556 -1.814) 4.756 13.476 ( -1.067 2.565 1.060) 2.973 13.909 ( -8.474 5.778 -3.129) 10.723 14.667 ( 7.096 7.492 3.954) 11.051 16.665 ( 5.610 -12.529 -10.044) 17.009 ======================= Grid point 301 (141/468) ======================= q-point: ( 0.36 -0.64 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -9.817 0.000 -9.064) 13.362 2.422 ( -13.767 0.000 9.443) 16.695 2.829 ( 7.798 -0.000 8.485) 11.524 3.002 ( 1.190 -0.000 -11.335) 11.397 3.822 ( 11.916 -0.000 6.040) 13.359 4.194 ( -3.033 0.000 -14.185) 14.506 5.105 ( -0.899 0.000 18.119) 18.142 5.207 ( 0.684 -0.000 6.445) 6.482 5.347 ( 0.942 -0.000 3.067) 3.209 5.484 ( -12.955 0.000 -11.218) 17.137 5.911 ( -14.808 0.000 -8.015) 16.838 6.075 ( -16.436 0.000 4.566) 17.058 6.777 ( 10.118 -0.000 -1.057) 10.173 6.848 ( 8.920 -0.000 0.304) 8.925 7.627 ( 1.413 -0.000 0.764) 1.607 7.663 ( -1.098 0.000 1.105) 1.558 8.439 ( -4.009 0.000 -1.370) 4.237 8.448 ( -3.036 0.000 -0.288) 3.050 9.334 ( -1.447 0.000 -1.612) 2.167 9.413 ( 0.096 -0.000 5.452) 5.453 9.689 ( -8.558 0.000 -7.897) 11.645 9.763 ( -10.742 0.000 2.760) 11.091 10.351 ( 1.573 -0.000 -1.943) 2.500 10.457 ( 5.113 -0.000 0.817) 5.178 10.605 ( 0.844 -0.000 4.448) 4.528 11.038 ( 1.802 -0.000 -11.210) 11.354 11.241 ( 5.109 -0.000 0.255) 5.115 11.626 ( -3.525 0.000 5.461) 6.500 12.185 ( 14.706 -0.000 -8.653) 17.063 12.478 ( 2.778 -0.000 7.248) 7.762 13.261 ( 12.509 -0.000 9.737) 15.852 13.294 ( 25.137 -0.000 3.234) 25.344 13.787 ( -3.991 0.000 -0.798) 4.070 14.100 ( -0.223 0.000 -11.846) 11.848 15.460 ( -3.438 0.000 -16.800) 17.148 15.622 ( -12.378 0.000 17.809) 21.688 ======================= Grid point 303 (142/468) ======================= q-point: (-0.55 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.194 ( -4.508 6.413 -1.031) 7.906 2.373 ( -11.721 4.552 11.111) 16.779 2.877 ( 3.561 0.311 -11.751) 12.283 3.017 ( 3.806 -1.733 6.583) 7.799 4.022 ( 6.224 -1.813 -7.248) 9.724 4.133 ( 7.287 -13.375 3.707) 15.676 5.065 ( -12.512 19.224 -3.153) 23.153 5.249 ( -6.211 -1.449 5.464) 8.398 5.265 ( -1.712 9.330 4.193) 10.371 5.434 ( -1.150 -1.575 6.229) 6.527 5.643 ( -11.196 9.607 2.797) 15.016 6.069 ( -11.791 -23.473 6.622) 27.090 6.862 ( 8.069 1.528 -3.243) 8.830 6.917 ( 5.820 1.848 -3.885) 7.237 7.571 ( 0.663 6.985 -0.313) 7.024 7.777 ( 1.199 -16.474 -0.939) 16.544 8.413 ( -2.348 -2.154 1.384) 3.474 8.432 ( -3.045 -2.641 2.574) 4.783 9.196 ( -0.257 19.076 -1.030) 19.105 9.507 ( -3.101 -8.488 -3.717) 9.771 9.548 ( -3.686 1.601 5.513) 6.822 9.735 ( -6.427 -8.941 5.107) 12.138 10.361 ( 1.895 1.338 1.586) 2.810 10.445 ( -3.694 1.281 -0.066) 3.910 10.760 ( 12.645 4.001 -2.003) 13.413 10.876 ( 4.033 -4.699 -13.389) 14.752 11.364 ( 3.955 0.156 6.020) 7.205 11.587 ( -9.866 -3.002 1.574) 10.433 12.262 ( 14.260 3.705 -6.358) 16.047 12.554 ( 2.025 -0.983 -1.099) 2.505 13.379 ( 3.459 2.177 -11.594) 12.293 13.510 ( 6.648 0.409 8.683) 10.944 13.871 ( 2.792 2.838 -18.581) 19.002 13.970 ( 14.525 -1.095 6.791) 16.071 15.205 ( -4.787 10.156 -5.001) 12.291 15.704 ( -14.259 -9.646 13.443) 21.842 ======================= Grid point 304 (143/468) ======================= q-point: (-0.45 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 2.592 13.332 6.355) 14.995 2.302 ( -11.105 12.467 11.203) 20.106 2.836 ( 6.095 -7.066 -7.254) 11.820 3.107 ( -4.382 -5.107 3.917) 7.787 3.972 ( 3.947 -3.178 -13.664) 14.574 4.439 ( 0.095 -17.891 7.469) 19.388 4.735 ( -1.155 23.172 0.528) 23.207 5.130 ( -3.474 5.031 0.652) 6.149 5.320 ( -0.793 2.072 0.664) 2.316 5.404 ( -8.482 5.825 10.138) 14.445 5.633 ( -0.380 6.900 14.666) 16.212 6.281 ( -3.890 -22.215 8.472) 24.092 6.839 ( 2.328 3.052 -7.678) 8.584 6.891 ( 2.992 2.383 -5.030) 6.319 7.544 ( 0.241 1.127 -0.249) 1.179 7.902 ( 1.459 -18.456 -6.036) 19.473 8.434 ( -1.069 -3.230 1.865) 3.880 8.485 ( -2.185 -5.760 4.495) 7.626 9.025 ( -0.067 18.983 1.545) 19.046 9.478 ( -0.502 -0.379 0.694) 0.936 9.639 ( -1.695 0.586 12.552) 12.679 9.837 ( -2.875 -13.912 2.096) 14.360 10.365 ( -3.834 3.668 -1.864) 5.624 10.417 ( 1.908 2.160 4.987) 5.760 10.650 ( 5.254 0.485 -15.064) 15.961 11.012 ( 10.646 -1.873 0.645) 10.828 11.387 ( -8.946 1.748 3.207) 9.663 11.582 ( 0.942 -8.361 1.025) 8.476 12.285 ( 5.130 8.554 -3.994) 10.744 12.498 ( 2.010 -2.244 -11.696) 12.078 13.244 ( 5.323 3.048 -12.794) 14.188 13.559 ( -2.122 -0.644 -21.412) 21.527 13.668 ( 5.908 4.323 2.546) 7.751 14.172 ( 3.324 1.349 0.791) 3.674 15.102 ( 1.793 15.270 8.552) 17.593 15.782 ( -10.384 -14.502 9.310) 20.120 ======================= Grid point 305 (144/468) ======================= q-point: (-0.36 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( -0.169 19.153 8.211) 20.840 2.210 ( -2.587 16.392 12.628) 20.853 2.973 ( 7.246 -13.518 0.654) 15.352 3.120 ( -9.999 -12.608 2.297) 16.255 3.812 ( 1.605 8.551 -12.045) 14.858 4.512 ( -6.745 -11.717 -0.168) 13.521 4.736 ( 4.977 9.527 7.303) 12.995 5.125 ( 2.144 7.892 2.529) 8.560 5.257 ( 4.092 1.148 -0.844) 4.333 5.487 ( -1.098 2.783 12.849) 13.192 5.760 ( -0.928 5.933 14.381) 15.585 6.525 ( 2.464 -15.333 5.725) 16.552 6.729 ( 0.534 1.173 -8.568) 8.665 6.810 ( -1.716 2.257 -5.701) 6.367 7.529 ( -3.674 -0.980 1.187) 3.983 7.994 ( 4.410 -16.642 -8.253) 19.093 8.483 ( 0.755 -2.835 1.093) 3.131 8.564 ( -1.563 -5.464 3.734) 6.800 8.941 ( 0.673 11.620 6.490) 13.326 9.519 ( 3.480 2.533 4.089) 5.937 9.737 ( -7.290 -0.025 7.827) 10.696 9.946 ( 1.200 -9.558 2.620) 9.983 10.251 ( -1.454 4.991 -3.737) 6.402 10.440 ( -0.334 2.572 -0.867) 2.735 10.618 ( 3.832 -1.329 -0.324) 4.069 11.073 ( -3.665 -0.988 -1.062) 3.942 11.334 ( -3.412 -5.266 1.218) 6.392 11.662 ( 1.955 -3.572 -4.775) 6.276 12.118 ( -5.708 3.682 -6.606) 9.475 12.448 ( 9.390 3.618 -7.969) 12.836 13.080 ( 3.340 6.010 -17.688) 18.977 13.326 ( 7.015 -1.847 -19.288) 20.607 13.697 ( -2.371 5.825 4.361) 7.653 14.118 ( -7.737 0.166 1.284) 7.844 15.086 ( -1.433 17.941 7.166) 19.373 15.971 ( 2.547 -17.478 6.575) 18.846 ======================= Grid point 306 (145/468) ======================= q-point: (-0.27 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( -6.425 13.832 12.235) 19.552 2.238 ( 4.734 19.141 11.627) 22.890 3.152 ( -10.421 -18.865 2.746) 21.727 3.250 ( 10.047 -14.432 4.434) 18.135 3.641 ( 4.207 10.846 -4.570) 12.498 4.561 ( 0.446 -10.329 -1.799) 10.494 4.768 ( 1.245 8.597 3.885) 9.516 5.070 ( 1.768 7.118 -1.239) 7.438 5.348 ( 7.190 4.788 1.513) 8.770 5.620 ( 1.960 0.457 9.895) 10.098 5.847 ( -3.290 6.124 11.397) 13.349 6.591 ( -2.582 1.130 -5.116) 5.841 6.682 ( -2.758 -0.174 -6.063) 6.663 6.780 ( 7.133 -10.434 -0.275) 12.642 7.521 ( -3.196 -1.346 4.647) 5.798 8.094 ( 6.040 -12.980 -6.524) 15.733 8.487 ( -1.571 4.849 2.044) 5.492 8.656 ( 1.598 -7.052 2.427) 7.627 8.995 ( 1.322 1.636 6.754) 7.074 9.602 ( -0.464 2.526 5.221) 5.819 9.672 ( -2.149 -0.758 -1.311) 2.629 10.040 ( 1.113 4.210 1.841) 4.728 10.200 ( 0.291 -4.072 0.006) 4.083 10.365 ( -5.675 1.980 -1.930) 6.312 10.682 ( 2.128 1.565 3.087) 4.063 10.950 ( -15.028 -2.549 -1.183) 15.289 11.370 ( -0.302 -4.527 -3.051) 5.467 11.525 ( -2.225 0.553 -10.718) 10.960 12.046 ( -2.055 -4.455 -2.838) 5.668 12.454 ( 9.705 7.353 -0.923) 12.211 12.862 ( 3.182 3.980 -14.088) 14.981 13.240 ( 8.252 -0.262 -12.193) 14.725 13.634 ( -5.546 6.166 2.651) 8.706 14.061 ( -8.589 -0.672 4.610) 9.771 14.942 ( -3.859 15.120 0.019) 15.605 16.249 ( 9.126 -15.241 1.542) 17.831 ======================= Grid point 307 (146/468) ======================= q-point: (-0.18 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.066 ( -7.177 6.052 16.401) 18.898 2.292 ( 4.859 13.719 9.957) 17.634 3.171 ( -9.206 -12.548 -1.653) 15.650 3.536 ( 8.133 -11.307 1.915) 14.059 3.722 ( 12.502 -0.674 9.164) 15.515 4.629 ( 4.779 -2.439 -1.856) 5.677 4.695 ( 0.373 10.115 -4.477) 11.067 5.061 ( 0.336 -3.423 0.715) 3.513 5.345 ( 5.056 13.313 -1.602) 14.331 5.772 ( 4.512 -2.339 5.997) 7.860 5.847 ( -6.533 6.171 6.884) 11.321 6.482 ( -1.482 5.614 -2.707) 6.406 6.583 ( -1.629 -3.153 -7.161) 7.992 6.881 ( 0.120 -7.645 -4.760) 9.007 7.635 ( 6.270 -2.713 7.433) 10.096 8.205 ( 4.823 -8.540 -1.329) 9.898 8.450 ( -2.313 8.128 5.833) 10.269 8.746 ( 0.588 -6.192 -0.774) 6.268 9.044 ( -0.996 1.201 1.557) 2.204 9.562 ( -5.294 -4.826 1.170) 7.259 9.769 ( 9.380 -0.661 0.454) 9.414 9.983 ( 1.696 7.016 -2.060) 7.506 10.204 ( -12.520 1.432 -1.021) 12.643 10.301 ( 0.705 -5.698 4.024) 7.011 10.656 ( -1.509 3.612 -7.891) 8.809 10.803 ( -13.928 0.453 11.434) 18.026 11.272 ( 1.409 4.015 -7.909) 8.981 11.475 ( -3.789 -10.656 -3.911) 11.967 11.958 ( -7.012 -0.818 -5.086) 8.701 12.539 ( 14.098 6.573 -5.057) 16.356 12.781 ( -0.596 -0.273 3.628) 3.687 13.223 ( 5.097 0.153 -5.087) 7.203 13.545 ( -2.428 5.284 0.299) 5.823 13.984 ( -10.097 2.778 1.652) 10.601 14.804 ( 1.487 7.834 -1.495) 8.113 16.458 ( 9.237 -10.904 -5.105) 15.175 ======================= Grid point 308 (147/468) ======================= q-point: (-0.09 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -9.137 -2.721 17.779) 20.174 2.359 ( 3.860 7.722 6.325) 10.702 3.148 ( -6.549 -9.722 0.227) 11.724 3.697 ( 5.289 -4.453 -1.599) 7.097 4.018 ( 8.343 -1.341 8.056) 11.675 4.540 ( 0.773 10.721 -3.436) 11.285 4.701 ( 11.601 -1.803 -3.825) 12.348 5.111 ( -0.597 -0.192 -1.046) 1.219 5.236 ( 2.720 6.563 -4.202) 8.254 5.768 ( -6.943 5.303 3.091) 9.267 5.909 ( 4.034 -3.578 2.977) 6.160 6.402 ( 0.665 6.943 -0.308) 6.982 6.516 ( 0.095 -5.064 -7.719) 9.232 6.837 ( -2.077 -4.437 -6.379) 8.043 7.816 ( 6.813 2.258 3.429) 7.955 8.331 ( 3.554 -7.195 2.835) 8.511 8.447 ( -3.534 7.823 10.137) 13.283 8.733 ( -2.164 -3.264 -6.381) 7.487 9.043 ( 1.028 1.575 3.208) 3.719 9.581 ( -5.277 -9.935 -0.011) 11.250 9.822 ( 8.193 2.622 -9.209) 12.602 9.996 ( 2.006 -2.542 3.083) 4.471 10.028 ( -8.874 2.839 1.581) 9.450 10.409 ( -1.116 -3.340 2.871) 4.543 10.518 ( -4.799 3.487 3.513) 6.894 10.805 ( -5.647 2.523 8.059) 10.159 11.206 ( 0.906 -3.887 -4.640) 6.120 11.452 ( -3.490 -2.449 -1.232) 4.437 11.807 ( -8.239 -0.529 -3.441) 8.944 12.495 ( 8.095 6.319 -12.556) 16.221 12.913 ( -2.119 -0.471 12.746) 12.930 13.190 ( -2.615 2.135 -2.256) 4.060 13.533 ( 5.613 2.186 0.002) 6.023 13.826 ( -5.668 4.425 -2.116) 7.496 14.824 ( 4.922 0.192 2.751) 5.641 16.534 ( 7.830 -5.588 -10.946) 14.572 ======================= Grid point 314 (148/468) ======================= q-point: ( 0.45 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 1.901 -0.000 8.022) 8.244 2.397 ( -10.940 0.000 12.110) 16.320 2.794 ( 6.547 -0.000 -11.445) 13.185 3.077 ( -3.083 0.000 1.815) 3.578 3.911 ( 3.566 -0.000 -10.987) 11.551 4.268 ( -0.578 0.000 8.436) 8.456 4.970 ( 2.138 -0.000 -5.886) 6.262 5.178 ( -2.450 0.000 -2.589) 3.564 5.338 ( -0.886 0.000 0.508) 1.021 5.473 ( -7.201 0.000 11.694) 13.733 5.851 ( 1.896 -0.000 17.205) 17.309 5.895 ( -11.395 0.000 13.458) 17.634 6.889 ( 1.045 -0.000 -8.550) 8.613 6.893 ( 4.827 -0.000 -6.557) 8.142 7.633 ( -0.267 0.000 -2.885) 2.897 7.657 ( 1.413 -0.000 -0.297) 1.444 8.413 ( -1.530 0.000 3.086) 3.445 8.426 ( -2.330 0.000 4.022) 4.649 9.337 ( 4.875 -0.000 -1.042) 4.985 9.355 ( -2.140 0.000 -2.019) 2.941 9.637 ( 0.509 -0.000 9.503) 9.516 9.701 ( -7.664 0.000 9.712) 12.372 10.397 ( -3.729 0.000 -0.931) 3.843 10.436 ( 2.105 -0.000 5.128) 5.543 10.654 ( 3.751 -0.000 -17.427) 17.826 10.995 ( 13.268 -0.000 0.791) 13.291 11.414 ( -14.733 0.000 -0.396) 14.738 11.499 ( 5.376 -0.000 4.813) 7.216 12.385 ( 13.402 -0.000 -5.114) 14.345 12.452 ( -6.190 0.000 -10.351) 12.060 13.271 ( 5.999 -0.000 -11.942) 13.364 13.552 ( -3.304 0.000 -21.447) 21.700 13.706 ( 6.580 -0.000 1.724) 6.802 14.183 ( 3.123 -0.000 0.513) 3.165 15.272 ( 9.086 -0.000 6.604) 11.232 15.619 ( -17.293 0.000 10.667) 20.318 ======================= Grid point 316 (149/468) ======================= q-point: (-0.45 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -11.017 6.909 9.147) 15.899 2.422 ( 7.095 7.377 13.271) 16.759 2.802 ( 9.280 -5.658 -5.258) 12.073 2.995 ( -10.303 -2.555 -1.292) 10.693 3.832 ( 4.153 -1.626 -11.618) 12.445 4.270 ( -14.212 -9.666 3.283) 17.499 5.028 ( 16.704 13.628 0.824) 21.574 5.198 ( 8.314 -0.616 1.296) 8.437 5.312 ( 0.873 5.406 -1.484) 5.674 5.518 ( -8.524 0.740 13.892) 16.316 5.889 ( -3.564 10.237 15.609) 19.004 6.214 ( 0.554 -18.781 13.268) 23.002 6.754 ( -0.799 1.345 -9.949) 10.071 6.826 ( -0.162 -0.224 -9.009) 9.013 7.565 ( -0.444 5.165 0.188) 5.187 7.745 ( 2.637 -11.623 -1.670) 12.035 8.445 ( 0.757 -1.002 2.653) 2.936 8.475 ( -1.495 -3.500 4.480) 5.878 9.215 ( 1.157 17.747 2.011) 17.898 9.485 ( 3.932 -9.549 0.682) 10.349 9.724 ( -8.567 -0.537 7.653) 11.500 9.804 ( 2.339 -4.288 10.383) 11.474 10.324 ( -2.888 2.613 -2.513) 4.635 10.465 ( 0.738 0.460 -5.523) 5.591 10.600 ( 4.753 -0.586 2.487) 5.396 11.065 ( -4.274 -0.191 -2.350) 4.881 11.255 ( -5.219 -2.799 -3.305) 6.782 11.621 ( 5.788 -1.146 1.459) 6.078 12.177 ( -8.641 2.270 -12.958) 15.740 12.475 ( 8.658 0.322 -3.394) 9.305 13.183 ( 6.030 5.777 -18.560) 20.352 13.272 ( 6.496 -4.296 -19.851) 21.324 13.776 ( -1.113 2.726 4.175) 5.108 14.115 ( -9.653 -0.344 0.106) 9.660 15.382 ( -4.861 16.413 6.134) 18.183 15.684 ( 5.907 -16.046 7.669) 18.740 ======================= Grid point 317 (150/468) ======================= q-point: (-0.36 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( -10.883 8.470 6.880) 15.411 2.568 ( 7.924 18.299 8.300) 21.600 2.876 ( -9.260 -12.447 2.816) 15.767 3.034 ( 9.995 -11.036 3.887) 15.388 3.738 ( 3.188 2.734 -9.257) 10.165 4.258 ( -9.125 -17.623 1.003) 19.871 5.084 ( 12.350 18.704 0.837) 22.429 5.236 ( 0.629 12.088 0.920) 12.139 5.377 ( 11.274 -0.871 2.242) 11.527 5.613 ( -2.355 -2.102 10.368) 10.838 5.946 ( -4.358 5.860 10.907) 13.126 6.508 ( 3.063 -14.368 6.241) 15.962 6.640 ( 0.784 -0.406 -6.507) 6.567 6.690 ( -2.465 0.224 -8.928) 9.265 7.541 ( -0.182 3.817 3.431) 5.136 7.875 ( 4.573 -12.051 -1.010) 12.930 8.511 ( 2.370 -0.966 2.454) 3.546 8.552 ( -0.800 -4.722 4.562) 6.614 9.137 ( 1.451 13.660 4.502) 14.455 9.612 ( 0.424 -7.509 -0.332) 7.528 9.662 ( -5.709 3.350 3.117) 7.316 9.997 ( 1.099 -4.768 9.529) 10.712 10.227 ( -1.108 3.886 -4.262) 5.873 10.397 ( -2.580 1.798 -2.681) 4.132 10.709 ( 1.695 1.309 6.531) 6.873 10.904 ( -14.605 -2.825 -2.344) 15.059 11.206 ( -1.774 -8.728 -7.302) 11.518 11.629 ( 2.539 6.435 -7.429) 10.151 11.974 ( -3.543 -3.624 -6.128) 7.952 12.525 ( 4.568 1.584 1.062) 4.950 12.960 ( 7.174 6.556 -17.333) 19.872 13.211 ( 9.478 -2.904 -14.543) 17.600 13.737 ( -5.215 5.366 2.396) 7.857 14.034 ( -9.998 -2.144 5.409) 11.568 15.167 ( -10.955 10.552 -2.697) 15.447 16.029 ( 14.717 -10.072 5.005) 18.522 ======================= Grid point 318 (151/468) ======================= q-point: (-0.27 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -10.800 4.020 8.263) 14.180 2.536 ( 1.058 12.799 3.364) 13.276 2.966 ( -2.631 -8.893 4.673) 10.385 3.341 ( 9.910 -10.479 6.344) 15.756 3.706 ( 7.138 -0.201 0.105) 7.142 4.356 ( -1.359 -20.139 -1.529) 20.243 5.023 ( 4.658 19.269 -2.008) 19.925 5.151 ( 0.810 11.320 0.307) 11.353 5.508 ( 9.676 3.878 -0.934) 10.466 5.732 ( 1.766 -1.201 6.540) 6.880 5.934 ( -7.010 4.190 5.468) 9.828 6.532 ( -2.869 -0.417 -6.411) 7.036 6.590 ( 0.643 3.667 -1.854) 4.159 6.709 ( 3.481 -10.922 -3.347) 11.942 7.613 ( 5.525 0.366 6.696) 8.689 8.036 ( 4.885 -10.895 1.230) 12.003 8.558 ( -0.183 3.694 4.937) 6.168 8.646 ( 0.642 -4.885 3.068) 5.804 9.114 ( 0.919 7.711 2.683) 8.216 9.509 ( -8.780 -1.797 -1.688) 9.120 9.746 ( 3.899 -2.843 2.033) 5.236 10.096 ( 1.223 4.911 -3.029) 5.898 10.153 ( -4.471 -5.621 2.080) 7.477 10.289 ( -5.143 4.586 0.486) 6.908 10.704 ( -6.379 1.333 -5.729) 8.677 10.794 ( -6.489 -0.599 9.866) 11.824 11.191 ( -3.847 -12.340 -5.185) 13.927 11.466 ( 1.334 8.695 -7.228) 11.386 11.908 ( -3.894 -4.925 -6.279) 8.880 12.626 ( 7.468 2.034 4.364) 8.885 12.823 ( 4.015 6.122 -6.623) 9.872 13.197 ( 7.534 -3.170 -9.143) 12.264 13.643 ( -3.648 5.838 0.298) 6.890 14.003 ( -10.153 -0.363 6.034) 11.816 14.915 ( -6.371 4.828 -7.601) 11.031 16.311 ( 14.107 -6.140 -0.339) 15.389 ======================= Grid point 319 (152/468) ======================= q-point: (-0.18 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -12.453 -3.199 9.518) 15.998 2.495 ( -0.432 6.442 2.005) 6.760 3.031 ( -1.644 -2.656 3.176) 4.455 3.563 ( 5.541 -9.007 2.162) 10.794 3.940 ( 10.766 -5.924 8.308) 14.834 4.518 ( 7.522 -17.071 -3.686) 19.015 4.842 ( -1.747 17.982 -2.626) 18.256 5.075 ( 1.090 6.362 -2.230) 6.829 5.503 ( 5.332 12.006 -5.106) 14.094 5.821 ( -3.058 -0.312 3.692) 4.804 5.866 ( -2.080 1.260 1.728) 2.983 6.436 ( -0.969 -1.988 -6.022) 6.415 6.541 ( 0.942 6.653 -0.402) 6.731 6.737 ( 0.902 -5.946 -6.411) 8.791 7.818 ( 9.260 -2.115 7.037) 11.821 8.194 ( 2.774 -8.637 2.024) 9.294 8.583 ( -1.670 6.680 8.839) 11.205 8.685 ( -2.122 -1.321 -1.433) 2.881 9.089 ( 1.384 4.233 1.403) 4.670 9.434 ( -7.868 -7.001 -0.803) 10.562 9.812 ( 3.454 -3.791 -4.650) 6.923 10.000 ( 3.028 2.583 -6.242) 7.403 10.091 ( -8.374 3.270 3.242) 9.556 10.325 ( 0.939 -3.993 4.859) 6.359 10.572 ( -7.357 2.449 2.143) 8.045 10.834 ( -5.089 0.426 7.159) 8.793 11.138 ( -3.570 -5.599 -7.037) 9.675 11.418 ( 1.841 1.255 2.782) 3.564 11.803 ( -4.686 -1.090 -4.991) 6.932 12.627 ( 7.734 8.630 -11.684) 16.456 12.888 ( -1.050 -1.835 13.313) 13.480 13.194 ( -0.102 -1.853 -3.829) 4.255 13.590 ( 3.795 4.165 -0.729) 5.682 13.900 ( -9.821 4.149 0.717) 10.686 14.790 ( 0.173 -4.169 -4.979) 6.496 16.472 ( 12.354 -1.544 -5.470) 13.599 ======================= Grid point 320 (153/468) ======================= q-point: (-0.09 -0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.122 ( -14.775 -9.985 8.801) 19.886 2.456 ( -2.726 0.825 0.125) 2.851 3.087 ( -0.482 -1.456 5.747) 5.948 3.674 ( 2.126 -3.538 -3.598) 5.476 4.117 ( 2.008 -0.588 1.136) 2.381 4.616 ( -2.054 14.430 -2.413) 14.774 4.798 ( 14.679 -14.810 -1.538) 20.908 5.028 ( 2.728 -1.302 -4.625) 5.525 5.330 ( -0.632 16.023 -4.859) 16.755 5.742 ( -7.777 3.439 2.222) 8.789 5.924 ( 2.436 -4.808 -0.797) 5.449 6.397 ( 1.021 -2.903 -3.678) 4.796 6.504 ( 3.758 7.111 -0.692) 8.072 6.711 ( -0.133 -3.993 -4.347) 5.904 7.953 ( 2.781 5.361 1.826) 6.309 8.322 ( 2.411 -10.830 2.739) 11.429 8.550 ( -7.684 6.782 -4.644) 11.252 8.628 ( -0.321 3.010 4.144) 5.132 9.155 ( 3.520 1.599 6.266) 7.363 9.397 ( -8.315 -9.912 0.019) 12.938 9.796 ( 7.228 -1.411 -7.837) 10.754 10.009 ( -0.095 -1.255 1.002) 1.609 10.039 ( 0.751 1.409 1.489) 2.183 10.378 ( -3.376 -0.448 0.412) 3.430 10.567 ( -4.785 -1.447 10.224) 11.381 10.845 ( -3.607 -0.090 4.664) 5.897 11.096 ( -0.941 -7.217 -1.968) 7.540 11.505 ( 1.519 2.947 8.959) 9.553 11.700 ( -2.439 3.265 -2.796) 4.943 12.476 ( 3.359 7.027 -11.394) 13.801 12.987 ( -4.553 1.661 4.393) 6.541 13.118 ( -4.735 0.925 -3.403) 5.904 13.632 ( 5.954 2.738 -0.059) 6.554 13.812 ( -0.661 -0.327 3.752) 3.824 14.839 ( 1.556 -10.065 -0.493) 10.196 16.512 ( 10.496 3.717 -9.293) 14.503 ======================= Grid point 327 (154/468) ======================= q-point: (-0.45 0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( -12.723 0.000 4.807) 13.601 2.749 ( 0.280 -0.000 10.488) 10.492 2.831 ( -0.526 0.000 3.506) 3.546 2.858 ( 10.908 -0.000 -1.524) 11.014 3.769 ( 7.078 -0.000 -9.406) 11.772 4.079 ( -14.472 0.000 3.519) 14.894 5.284 ( 13.070 -0.000 -4.917) 13.964 5.287 ( 9.902 -0.000 -2.816) 10.295 5.476 ( 14.148 -0.000 5.943) 15.345 5.530 ( -13.455 0.000 12.313) 18.238 6.027 ( -8.492 0.000 11.320) 14.151 6.323 ( 5.401 -0.000 8.652) 10.200 6.645 ( 0.425 -0.000 -5.186) 5.203 6.692 ( -0.761 0.000 -10.203) 10.231 7.614 ( 2.769 -0.000 0.262) 2.782 7.731 ( 0.967 -0.000 4.313) 4.420 8.498 ( 3.064 -0.000 2.802) 4.152 8.508 ( -0.219 0.000 4.909) 4.914 9.369 ( -0.913 0.000 3.808) 3.916 9.436 ( 2.228 -0.000 -0.944) 2.420 9.693 ( -6.746 0.000 1.972) 7.028 9.958 ( 1.090 -0.000 11.912) 11.962 10.263 ( -2.661 0.000 -3.912) 4.731 10.418 ( 1.172 -0.000 -2.420) 2.689 10.721 ( 2.241 -0.000 7.286) 7.622 10.870 ( -17.483 0.000 -1.249) 17.528 11.130 ( -0.825 0.000 -11.230) 11.260 11.691 ( 6.333 -0.000 -3.653) 7.311 11.938 ( -6.699 0.000 -9.833) 11.898 12.535 ( 3.035 -0.000 1.557) 3.411 13.035 ( 8.567 -0.000 -17.538) 19.519 13.170 ( 9.876 -0.000 -15.561) 18.430 13.791 ( -4.622 0.000 2.126) 5.088 14.009 ( -11.066 0.000 5.669) 12.433 15.266 ( -16.269 0.000 -4.859) 16.979 15.935 ( 19.519 -0.000 7.403) 20.876 ======================= Grid point 329 (155/468) ======================= q-point: (-0.36 0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -12.941 1.493 2.853) 13.336 2.632 ( -8.726 -0.614 -1.827) 8.936 2.957 ( 9.671 5.902 4.885) 12.338 3.191 ( 12.166 -6.607 12.330) 18.539 3.746 ( 6.639 4.760 -3.612) 8.932 4.042 ( -6.603 -14.237 2.310) 15.863 5.258 ( 7.264 10.185 -8.163) 14.938 5.357 ( 2.466 4.598 -1.545) 5.441 5.492 ( -3.127 -0.843 4.068) 5.200 5.735 ( 8.890 0.214 7.274) 11.488 5.997 ( -9.232 2.948 4.793) 10.812 6.468 ( 3.822 -6.538 -2.499) 7.975 6.580 ( 3.137 -0.659 -8.848) 9.410 6.660 ( 4.019 1.783 2.550) 5.082 7.652 ( 3.450 3.726 4.294) 6.650 7.858 ( 2.262 -8.393 5.407) 10.237 8.581 ( 0.883 -0.168 5.750) 5.820 8.592 ( 3.574 -1.373 3.957) 5.506 9.296 ( -1.738 12.230 1.918) 12.500 9.464 ( -7.728 -5.455 -1.688) 9.609 9.664 ( 0.652 -4.779 -0.368) 4.837 10.074 ( -5.989 -1.899 8.060) 10.220 10.163 ( 0.353 1.591 -7.725) 7.895 10.394 ( -1.292 5.816 1.151) 6.068 10.685 ( -13.198 -2.671 1.579) 13.558 10.805 ( -0.508 1.299 5.024) 5.214 11.009 ( -2.013 -6.937 -6.896) 9.986 11.628 ( 2.435 8.897 -8.386) 12.466 11.801 ( -3.491 -7.050 -6.823) 10.414 12.631 ( 3.203 -0.318 8.025) 8.646 12.949 ( 5.760 6.659 -8.106) 11.968 13.124 ( 9.937 -4.600 -13.972) 17.752 13.726 ( -4.316 3.146 -0.141) 5.343 13.984 ( -9.710 -1.256 8.944) 13.261 14.967 ( -12.291 1.414 -11.612) 16.968 16.246 ( 17.864 -1.725 2.798) 18.164 ======================= Grid point 330 (156/468) ======================= q-point: (-0.27 0.55 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -14.419 -2.145 3.365) 14.961 2.534 ( -5.675 -1.109 -1.508) 5.976 3.071 ( 7.157 5.157 3.068) 9.339 3.452 ( 4.141 -2.467 6.297) 7.930 3.865 ( 10.722 -1.889 7.966) 13.490 4.185 ( 3.085 -19.523 0.342) 19.768 5.101 ( 2.533 12.632 -10.113) 16.379 5.266 ( -3.627 11.765 1.749) 12.436 5.527 ( 3.076 -6.425 -6.346) 9.540 5.869 ( 1.481 4.798 6.907) 8.540 5.899 ( -7.666 1.361 0.601) 7.809 6.447 ( 4.625 2.711 -7.754) 9.427 6.561 ( -0.233 -4.378 -4.126) 6.021 6.718 ( 6.432 3.716 -1.617) 7.602 7.775 ( 6.021 -1.740 7.078) 9.455 8.034 ( 2.475 -9.271 4.590) 10.637 8.654 ( -0.130 1.931 5.145) 5.497 8.695 ( 1.781 1.446 6.388) 6.787 9.191 ( -2.388 7.179 -0.018) 7.566 9.349 ( -9.829 -2.974 -2.499) 10.569 9.719 ( 0.708 -6.454 -2.266) 6.877 10.025 ( 1.354 -1.117 -7.960) 8.152 10.100 ( -4.765 -0.439 1.207) 4.935 10.354 ( -0.297 6.465 3.948) 7.581 10.598 ( -7.897 0.573 3.675) 8.729 10.830 ( -3.343 -0.457 3.320) 4.734 11.004 ( -4.681 -8.654 -1.251) 9.918 11.509 ( 3.239 7.912 -1.027) 8.611 11.754 ( -1.043 -4.684 -4.448) 6.543 12.751 ( 6.366 4.090 -4.868) 8.997 12.888 ( -1.346 3.564 7.965) 8.830 13.129 ( 3.533 -5.500 -7.034) 9.603 13.660 ( 1.042 3.517 -1.220) 3.865 13.962 ( -10.553 2.799 6.745) 12.834 14.703 ( -5.032 -5.050 -13.208) 15.009 16.470 ( 15.986 0.679 -1.589) 16.079 ======================= Grid point 331 (157/468) ======================= q-point: (-0.18 -0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -16.979 -7.778 4.519) 19.215 2.443 ( -7.093 -2.295 -3.498) 8.234 3.132 ( 5.346 5.289 2.640) 7.970 3.574 ( 0.897 -5.337 3.587) 6.492 4.091 ( 5.705 -2.456 4.170) 7.481 4.458 ( 10.044 -19.443 1.143) 21.914 4.886 ( -1.316 13.813 -6.366) 15.267 5.137 ( 0.472 10.409 -2.641) 10.749 5.480 ( 0.224 0.624 -8.697) 8.722 5.801 ( -8.590 1.919 2.205) 9.074 5.883 ( -1.069 1.743 0.752) 2.178 6.390 ( 5.009 2.573 -6.411) 8.533 6.555 ( -1.375 -3.399 0.728) 3.738 6.708 ( 5.912 5.143 -5.879) 9.796 7.962 ( 3.122 -3.459 6.631) 8.104 8.161 ( 1.005 -8.093 0.955) 8.211 8.623 ( -2.170 4.962 -4.714) 7.180 8.757 ( -2.930 8.450 10.789) 14.014 9.177 ( 3.226 1.085 3.186) 4.662 9.243 ( -8.117 -7.835 -0.810) 11.310 9.743 ( 4.118 -4.804 -5.678) 8.502 9.986 ( 6.706 0.224 -6.843) 9.584 10.075 ( -4.563 -0.658 3.338) 5.692 10.361 ( -0.597 1.545 1.872) 2.499 10.579 ( -5.739 1.699 8.755) 10.605 10.815 ( -4.075 -2.656 0.627) 4.904 10.983 ( -6.759 -6.825 0.852) 9.643 11.560 ( 4.892 4.479 6.540) 9.314 11.753 ( 1.910 1.811 2.026) 3.322 12.607 ( 0.552 7.897 -11.229) 13.739 12.986 ( 1.108 -1.060 2.188) 2.671 13.109 ( -6.748 -2.068 1.369) 7.189 13.684 ( 6.003 2.162 1.115) 6.478 13.844 ( -7.120 5.012 1.467) 8.830 14.629 ( -0.238 -13.671 -7.442) 15.567 16.593 ( 14.157 5.024 -4.864) 15.790 ======================= Grid point 332 (158/468) ======================= q-point: (-0.09 -0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -18.685 -13.457 5.935) 23.779 2.310 ( -10.811 -5.962 -4.974) 13.311 3.199 ( 4.747 1.509 2.709) 5.670 3.605 ( -3.957 -0.355 -2.050) 4.470 4.143 ( 2.063 3.647 -2.257) 4.760 4.631 ( -2.773 5.842 -7.134) 9.629 4.698 ( 0.704 -7.099 -3.664) 8.020 5.122 ( 9.212 -0.988 -3.155) 9.787 5.370 ( 1.359 8.556 0.271) 8.668 5.681 ( -9.877 3.586 0.677) 10.529 5.874 ( -2.018 -4.850 -1.341) 5.422 6.390 ( 4.690 -0.198 -1.375) 4.891 6.590 ( 2.111 1.596 1.234) 2.920 6.659 ( 2.515 0.122 -4.428) 5.094 7.997 ( -4.911 2.806 1.801) 5.936 8.278 ( -2.225 -10.228 2.930) 10.869 8.430 ( 0.989 7.785 -10.445) 13.065 8.740 ( -1.989 9.154 3.942) 10.163 9.209 ( -3.197 -6.624 1.634) 7.534 9.328 ( 1.573 1.828 6.080) 6.541 9.789 ( 7.573 -6.735 -4.246) 10.989 10.016 ( 4.985 -0.777 -2.932) 5.836 10.083 ( 1.096 -0.156 3.255) 3.438 10.332 ( -5.139 0.427 1.039) 5.260 10.605 ( -5.923 0.975 5.629) 8.229 10.844 ( 0.345 -5.087 4.943) 7.102 11.034 ( -1.234 -10.243 5.381) 11.636 11.644 ( 2.177 2.459 3.579) 4.858 11.815 ( 3.154 11.464 9.702) 15.346 12.400 ( -0.516 4.710 -12.088) 12.983 12.956 ( 0.314 1.942 -6.386) 6.682 13.022 ( -6.927 1.272 -0.570) 7.066 13.712 ( 2.483 3.218 0.101) 4.066 13.885 ( 1.457 -4.049 9.113) 10.078 14.692 ( -0.558 -17.117 -4.332) 17.666 16.617 ( 11.618 10.366 -6.589) 16.907 ======================= Grid point 340 (159/468) ======================= q-point: (-0.36 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.051 ( -15.091 0.000 1.197) 15.139 2.515 ( -6.217 0.000 -1.921) 6.507 3.119 ( 8.389 -0.000 0.470) 8.402 3.460 ( 7.683 -0.000 9.736) 12.402 3.912 ( 14.827 -0.000 4.445) 15.479 3.925 ( -5.814 0.000 4.244) 7.198 5.278 ( 1.860 -0.000 -7.872) 8.089 5.316 ( 5.375 -0.000 -12.475) 13.584 5.458 ( -7.700 0.000 5.803) 9.642 5.903 ( 2.239 -0.000 -3.572) 4.215 5.920 ( -10.384 0.000 11.477) 15.478 6.473 ( 4.737 -0.000 -3.778) 6.059 6.517 ( 7.951 -0.000 -11.874) 14.291 6.760 ( 5.817 -0.000 0.412) 5.831 7.768 ( 2.871 -0.000 5.760) 6.436 7.936 ( 2.506 -0.000 7.477) 7.886 8.672 ( 1.268 -0.000 6.234) 6.362 8.705 ( 3.664 -0.000 7.068) 7.962 9.274 ( -7.114 0.000 -3.734) 8.034 9.327 ( -10.365 0.000 0.042) 10.365 9.642 ( 3.287 -0.000 -2.293) 4.008 10.000 ( -2.422 0.000 -3.630) 4.364 10.104 ( -1.714 0.000 -3.780) 4.151 10.437 ( -0.388 0.000 1.681) 1.725 10.597 ( -8.969 0.000 7.155) 11.474 10.827 ( -2.767 0.000 0.906) 2.911 10.911 ( -3.446 0.000 0.479) 3.479 11.645 ( 5.027 -0.000 -5.991) 7.820 11.649 ( -1.718 0.000 -0.299) 1.744 12.772 ( 4.454 -0.000 3.583) 5.716 12.976 ( -7.757 0.000 8.974) 11.862 13.038 ( 12.444 -0.000 -17.379) 21.375 13.693 ( -0.445 0.000 -1.645) 1.704 13.987 ( -9.649 0.000 10.744) 14.441 14.653 ( -7.577 0.000 -17.457) 19.030 16.478 ( 17.291 -0.000 -0.293) 17.294 ======================= Grid point 341 (160/468) ======================= q-point: (-0.27 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.871 ( -18.003 -2.854 1.713) 18.308 2.401 ( -7.918 -1.755 -4.550) 9.299 3.190 ( 5.856 0.697 -2.943) 6.591 3.584 ( 1.765 5.849 7.440) 9.627 3.979 ( -0.008 -9.817 3.873) 10.553 4.239 ( 16.226 -4.684 8.391) 18.858 5.091 ( 0.264 10.642 -11.449) 15.633 5.236 ( -2.846 -2.866 -8.266) 9.200 5.463 ( 1.751 1.172 1.316) 2.484 5.798 ( -7.145 -0.934 -1.543) 7.369 5.945 ( -8.605 3.052 6.674) 11.309 6.454 ( 8.174 3.138 -11.268) 14.270 6.473 ( 0.308 -3.898 -3.630) 5.335 6.794 ( 6.075 3.219 -4.756) 8.360 7.897 ( 2.242 -2.572 8.063) 8.755 8.053 ( 1.221 -3.764 3.010) 4.972 8.716 ( -1.283 4.458 0.902) 4.726 8.855 ( 0.749 2.069 13.245) 13.426 9.159 ( -7.839 -0.811 -4.477) 9.063 9.181 ( -2.608 -1.296 -0.234) 2.922 9.669 ( 3.511 -2.709 -2.779) 5.233 9.984 ( 8.724 -1.185 -7.374) 11.484 10.038 ( -4.422 -1.246 0.065) 4.595 10.439 ( 0.011 4.863 2.425) 5.434 10.602 ( -4.178 0.787 7.009) 8.198 10.778 ( -4.424 -1.253 -1.613) 4.873 10.869 ( -10.729 -5.134 3.482) 12.393 11.644 ( 4.986 4.220 1.815) 6.779 11.753 ( 5.534 -1.366 7.512) 9.430 12.721 ( -3.091 4.371 -8.514) 10.058 12.971 ( 9.023 -0.337 -11.397) 14.541 13.059 ( -9.738 -2.729 12.863) 16.362 13.700 ( 3.052 0.237 1.280) 3.318 13.961 ( -9.964 6.388 6.971) 13.736 14.416 ( -0.004 -9.137 -16.219) 18.615 16.660 ( 16.206 2.241 -2.795) 16.597 ======================= Grid point 342 (161/468) ======================= q-point: (-0.18 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -21.016 -8.169 3.803) 22.866 2.222 ( -13.248 -4.162 -6.801) 15.462 3.182 ( 1.743 -3.494 -7.752) 8.680 3.639 ( -0.505 6.604 8.211) 10.550 4.128 ( 2.856 -8.901 2.090) 9.579 4.492 ( 9.393 0.025 -1.533) 9.517 4.900 ( -1.611 7.203 -4.568) 8.680 5.081 ( -3.309 -1.359 -10.090) 10.706 5.496 ( 4.932 7.423 2.461) 9.246 5.721 ( -4.480 -1.246 -0.762) 4.712 5.835 ( -12.085 1.737 2.354) 12.434 6.411 ( 4.596 1.902 -3.021) 5.820 6.494 ( 0.502 -8.173 -2.358) 8.521 6.745 ( 4.907 5.325 -7.482) 10.412 8.006 ( -4.150 -0.504 4.520) 6.157 8.118 ( -0.544 -7.528 2.247) 7.875 8.581 ( -2.519 8.449 -5.853) 10.582 8.924 ( -0.734 11.897 4.252) 12.655 9.101 ( -2.307 -5.683 3.080) 6.863 9.295 ( 5.940 -6.153 6.791) 10.921 9.706 ( 3.973 -2.597 -2.545) 5.386 10.001 ( 8.044 -0.552 -6.934) 10.635 10.051 ( 0.749 -3.782 1.021) 3.989 10.392 ( -3.520 7.295 1.690) 8.275 10.629 ( -2.687 0.904 1.773) 3.344 10.753 ( -1.183 -5.885 2.484) 6.496 10.870 ( -7.852 -7.777 8.504) 13.945 11.696 ( 2.414 2.986 3.242) 5.025 11.962 ( 7.066 5.650 13.457) 16.215 12.487 ( -6.284 4.961 -11.448) 13.970 12.932 ( 8.299 -3.098 -14.292) 16.815 13.058 ( -12.483 1.857 8.294) 15.102 13.795 ( 2.848 2.259 4.266) 5.605 13.847 ( -4.303 3.753 4.110) 7.035 14.395 ( 1.243 -16.717 -9.025) 19.038 16.770 ( 14.457 6.860 -4.142) 16.530 ======================= Grid point 343 (162/468) ======================= q-point: (-0.09 -0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -22.090 -14.564 7.344) 27.459 1.990 ( -17.924 -8.399 -6.788) 20.926 3.102 ( -6.260 -13.942 -12.159) 19.530 3.634 ( -2.107 13.200 6.253) 14.757 4.169 ( 0.863 6.664 -4.204) 7.927 4.533 ( 6.441 -9.581 -5.792) 12.916 4.662 ( -7.682 16.352 -4.580) 18.638 5.073 ( 4.430 -9.400 -4.853) 11.469 5.511 ( -3.714 2.780 4.300) 6.326 5.627 ( -6.947 10.208 3.092) 12.729 5.755 ( -3.676 -5.014 -2.726) 6.788 6.465 ( 3.674 0.335 4.440) 5.773 6.570 ( 3.106 -10.328 -1.797) 10.933 6.677 ( 4.762 4.505 -4.041) 7.701 7.927 ( -9.657 1.334 -0.879) 9.789 8.165 ( -5.538 -6.182 -0.364) 8.308 8.494 ( 7.445 6.817 0.324) 10.100 8.824 ( 2.275 10.944 -4.185) 11.936 9.171 ( -4.284 -1.229 6.881) 8.198 9.470 ( 6.547 3.060 2.972) 7.814 9.755 ( 2.999 -5.597 -1.496) 6.523 10.013 ( 2.586 -0.546 -5.371) 5.986 10.134 ( 3.212 -5.295 0.372) 6.204 10.321 ( -3.237 3.767 5.710) 7.568 10.564 ( -4.679 0.984 -0.990) 4.883 10.903 ( 6.011 -9.084 3.912) 11.574 11.050 ( 2.485 -11.235 13.299) 17.586 11.711 ( -1.668 2.801 0.846) 3.367 12.046 ( -3.027 12.203 1.686) 12.686 12.288 ( -0.164 2.921 -2.302) 3.722 12.886 ( 6.694 -1.883 -10.913) 12.940 12.991 ( -3.133 2.479 3.600) 5.378 13.741 ( -2.215 3.062 -0.567) 3.821 13.982 ( 0.277 -4.140 9.590) 10.449 14.458 ( -0.336 -18.348 -6.523) 19.476 16.792 ( 10.663 13.025 -4.343) 17.384 ======================= Grid point 352 (163/468) ======================= q-point: (-0.27 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -21.806 0.000 2.715) 21.975 2.183 ( -13.932 0.000 -7.381) 15.766 3.139 ( -1.504 0.000 -9.932) 10.046 3.763 ( 4.221 -0.000 8.770) 9.733 3.967 ( 0.484 -0.000 4.125) 4.153 4.540 ( 15.894 -0.000 6.953) 17.348 4.905 ( -4.981 0.000 -18.344) 19.008 5.100 ( -3.866 0.000 -4.598) 6.007 5.594 ( 8.977 -0.000 5.312) 10.432 5.677 ( -6.675 0.000 -2.648) 7.181 5.873 ( -17.724 0.000 6.092) 18.741 6.393 ( -1.529 0.000 -4.033) 4.313 6.439 ( 7.389 -0.000 -7.110) 10.254 6.794 ( 4.951 -0.000 -8.343) 9.701 8.005 ( -0.797 0.000 8.399) 8.437 8.045 ( -3.077 0.000 -0.453) 3.111 8.668 ( -4.978 0.000 -4.649) 6.812 9.039 ( -0.656 0.000 10.145) 10.166 9.109 ( -2.438 0.000 4.070) 4.745 9.160 ( 8.765 -0.000 -0.167) 8.767 9.689 ( 3.603 -0.000 0.897) 3.713 9.988 ( -2.849 0.000 0.351) 2.871 10.016 ( 12.584 -0.000 -9.224) 15.603 10.514 ( 1.670 -0.000 3.719) 4.077 10.604 ( -3.002 0.000 -2.798) 4.104 10.678 ( -5.477 0.000 -2.643) 6.081 10.807 ( -9.662 0.000 14.878) 17.740 11.725 ( 2.247 -0.000 2.619) 3.450 12.010 ( 8.979 -0.000 14.920) 17.413 12.538 ( -10.409 0.000 -9.876) 14.348 12.896 ( 11.253 -0.000 -16.896) 20.300 13.074 ( -12.326 0.000 9.981) 15.860 13.788 ( 2.210 -0.000 7.584) 7.899 13.956 ( -11.939 0.000 6.861) 13.770 14.200 ( 7.727 -0.000 -16.823) 18.512 16.831 ( 15.593 -0.000 -3.374) 15.954 ======================= Grid point 353 (164/468) ======================= q-point: (-0.18 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -24.877 -5.715 6.863) 26.432 1.884 ( -20.319 -3.539 -7.578) 21.973 2.914 ( -12.726 -6.325 -15.573) 21.082 3.860 ( 4.001 12.972 8.224) 15.872 4.114 ( 3.543 -11.265 4.135) 12.512 4.543 ( -0.668 9.238 -14.487) 17.194 4.834 ( 4.559 -7.630 -1.883) 9.085 4.959 ( -1.141 5.232 -4.755) 7.162 5.557 ( -6.811 0.688 -1.155) 6.942 5.684 ( -19.407 1.662 4.411) 19.971 5.781 ( 7.532 3.414 5.859) 10.135 6.374 ( -1.900 -8.515 -0.861) 8.767 6.488 ( 8.940 0.500 -0.803) 8.990 6.735 ( 4.476 1.860 -7.330) 8.788 7.952 ( -8.042 1.584 -1.343) 8.306 8.056 ( -6.492 -4.850 2.075) 8.365 8.584 ( 1.553 2.690 0.074) 3.107 9.026 ( 7.268 11.437 -7.135) 15.314 9.172 ( 0.234 -0.708 8.482) 8.515 9.386 ( 4.018 -7.678 9.161) 12.610 9.772 ( 4.930 3.460 4.607) 7.583 9.974 ( -0.176 -2.691 -1.873) 3.283 10.052 ( 8.465 -3.233 -8.507) 12.429 10.444 ( -2.484 9.916 0.698) 10.246 10.569 ( -2.298 -0.392 -3.451) 4.164 10.690 ( 1.670 -12.984 2.580) 13.342 10.951 ( -1.672 -1.935 16.261) 16.461 11.746 ( -2.428 1.110 -0.146) 2.674 12.217 ( -8.533 7.143 -3.592) 11.693 12.311 ( 3.089 -0.690 6.942) 7.630 12.848 ( 8.786 -1.640 -11.912) 14.893 13.023 ( -5.633 1.017 3.053) 6.487 13.830 ( -8.697 6.012 0.688) 10.595 13.929 ( 0.369 -1.731 10.025) 10.180 14.186 ( 5.529 -11.670 -10.023) 16.347 16.955 ( 13.665 5.219 -3.143) 14.962 ======================= Grid point 354 (165/468) ======================= q-point: (-0.09 -0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -24.838 -12.710 13.138) 30.840 1.573 ( -24.081 -8.632 -5.287) 26.122 2.581 ( -24.330 -18.982 -15.035) 34.326 3.850 ( 2.329 18.125 4.290) 18.771 4.161 ( -1.110 7.369 -6.469) 9.868 4.454 ( 5.479 -13.469 -3.020) 14.851 4.656 ( -6.305 12.117 -4.147) 14.275 5.068 ( 11.225 -2.979 -0.674) 11.633 5.446 ( -13.105 3.687 3.162) 13.976 5.501 ( -14.389 -5.704 0.085) 15.478 5.819 ( 2.323 11.338 -0.479) 11.583 6.446 ( -1.379 -12.439 -0.096) 12.516 6.636 ( 10.306 -0.540 4.688) 11.335 6.747 ( 7.172 0.881 0.050) 7.226 7.784 ( -10.535 2.590 -3.135) 11.293 8.031 ( -4.929 -8.571 -0.727) 9.914 8.660 ( 3.771 0.112 6.423) 7.449 8.921 ( 9.648 15.061 -7.478) 19.386 9.249 ( -3.144 6.066 7.735) 10.320 9.548 ( 3.162 -4.845 1.425) 5.958 9.816 ( 5.490 9.339 0.002) 10.834 9.918 ( -0.663 -0.368 -11.241) 11.266 10.085 ( -3.355 -6.555 4.573) 8.669 10.405 ( -0.718 3.288 0.901) 3.484 10.571 ( 4.791 0.567 5.356) 7.208 10.914 ( 10.705 -16.489 -0.151) 19.660 11.206 ( 4.416 -8.630 14.613) 17.536 11.589 ( -6.879 -0.845 -13.675) 15.331 11.969 ( -14.799 3.709 2.813) 15.514 12.445 ( 5.327 9.458 4.485) 11.745 12.847 ( 5.310 -1.367 -4.481) 7.081 13.057 ( 6.206 -2.402 2.474) 7.100 13.680 ( -6.942 1.693 -3.918) 8.149 14.044 ( -0.133 -2.583 3.853) 4.641 14.251 ( 0.252 -13.535 -2.681) 13.800 16.985 ( 8.385 13.626 -2.284) 16.162 ======================= Grid point 364 (166/468) ======================= q-point: (-0.18 -0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -27.343 0.000 14.781) 31.082 1.494 ( -25.980 0.000 -4.869) 26.433 2.411 ( -28.465 0.000 -17.514) 33.422 4.124 ( 3.345 -0.000 3.494) 4.837 4.134 ( 7.703 -0.000 7.549) 10.785 4.308 ( -4.144 0.000 -16.249) 16.769 4.767 ( -5.561 0.000 -6.398) 8.477 5.063 ( 14.343 -0.000 1.623) 14.435 5.420 ( -9.511 0.000 -2.429) 9.816 5.520 ( -18.546 0.000 5.628) 19.381 5.925 ( 1.213 -0.000 3.067) 3.298 6.297 ( -2.579 0.000 -0.814) 2.705 6.634 ( 11.399 -0.000 2.983) 11.783 6.753 ( 7.092 -0.000 -1.020) 7.165 7.823 ( -9.814 0.000 -2.281) 10.075 7.936 ( -8.016 0.000 -1.267) 8.116 8.653 ( 1.705 -0.000 5.180) 5.453 9.129 ( 16.695 -0.000 -12.999) 21.159 9.216 ( -3.026 0.000 7.180) 7.792 9.541 ( -1.149 0.000 14.728) 14.772 9.890 ( 4.596 -0.000 -17.482) 18.076 9.970 ( 7.631 -0.000 8.306) 11.279 9.987 ( -4.729 0.000 1.718) 5.032 10.513 ( 1.204 -0.000 -2.450) 2.730 10.514 ( 9.668 -0.000 -3.162) 10.172 10.716 ( 1.418 -0.000 8.102) 8.225 11.133 ( 0.992 -0.000 14.609) 14.642 11.586 ( -8.525 0.000 -16.030) 18.156 12.004 ( -17.840 0.000 3.030) 18.096 12.534 ( 8.402 -0.000 5.659) 10.130 12.837 ( 4.649 -0.000 -2.276) 5.176 13.028 ( 4.154 -0.000 -0.764) 4.223 13.705 ( -10.757 0.000 -4.006) 11.479 14.018 ( 1.668 -0.000 1.464) 2.220 14.124 ( 2.787 -0.000 -0.075) 2.788 17.110 ( 11.787 -0.000 -1.691) 11.908 ======================= Grid point 365 (167/468) ======================= q-point: (-0.09 -0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( -26.099 -6.517 18.375) 32.577 1.147 ( -28.367 -5.173 1.027) 28.853 1.866 ( -38.810 -17.626 -6.876) 43.177 4.054 ( 0.608 15.050 -1.504) 15.137 4.149 ( 3.401 6.951 -2.085) 8.015 4.396 ( 5.188 -13.452 1.877) 14.540 4.591 ( -6.079 4.027 -3.250) 7.983 5.233 ( 1.865 3.958 -1.118) 4.516 5.300 ( -2.517 -1.012 1.299) 3.008 5.360 ( -10.237 1.188 3.419) 10.858 5.880 ( -1.596 7.582 -3.547) 8.522 6.306 ( -3.430 -12.889 0.760) 13.360 6.823 ( 11.108 -0.676 2.670) 11.444 6.857 ( 5.991 0.515 1.769) 6.268 7.659 ( -8.522 3.656 -1.249) 9.357 7.884 ( -4.332 -9.743 -0.214) 10.665 8.742 ( -0.951 -1.074 7.057) 7.201 9.115 ( 11.693 12.230 -4.572) 17.527 9.277 ( -0.907 -2.608 -4.816) 5.551 9.625 ( -0.473 6.524 5.163) 8.334 9.693 ( -0.057 -3.504 -13.031) 13.494 9.966 ( -3.399 6.288 4.806) 8.613 10.151 ( 6.382 1.802 7.335) 9.889 10.443 ( 1.728 10.413 0.012) 10.556 10.759 ( 12.601 -5.446 5.750) 14.882 10.880 ( 8.289 -15.288 -4.172) 17.884 11.203 ( -8.924 2.981 -12.899) 15.966 11.399 ( 4.667 -17.070 8.829) 19.777 11.839 ( -21.105 0.308 8.501) 22.755 12.614 ( 7.484 8.268 -3.068) 11.567 12.879 ( -0.230 0.852 3.784) 3.886 13.133 ( 10.802 -6.914 -1.886) 12.963 13.504 ( -7.186 -0.513 -9.212) 11.694 14.019 ( 2.447 -1.861 -5.298) 6.125 14.194 ( -3.820 -4.012 6.978) 8.909 17.174 ( 6.422 12.114 -0.071) 13.711 ======================= Grid point 376 (168/468) ======================= q-point: (-0.09 -0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( -36.156 0.000 -8.712) 37.190 0.875 ( -26.059 0.000 15.117) 30.127 1.445 ( -34.749 0.000 35.500) 49.676 4.144 ( 5.944 -0.000 2.749) 6.549 4.270 ( 0.377 -0.000 5.421) 5.434 4.372 ( 4.048 -0.000 -6.285) 7.476 4.555 ( -2.946 0.000 5.978) 6.664 5.078 ( -10.520 0.000 -2.980) 10.934 5.285 ( -8.939 0.000 4.985) 10.235 5.468 ( 13.357 -0.000 -3.957) 13.931 5.842 ( -0.597 0.000 -2.865) 2.927 6.203 ( -7.358 0.000 5.312) 9.075 6.908 ( 1.093 -0.000 -1.609) 1.945 6.920 ( 8.594 -0.000 -6.943) 11.048 7.603 ( -6.483 0.000 3.750) 7.490 7.796 ( -2.426 0.000 1.705) 2.965 8.830 ( -2.827 0.000 8.619) 9.071 9.023 ( -6.845 0.000 -14.761) 16.271 9.312 ( 17.545 -0.000 -5.689) 18.444 9.616 ( 5.387 -0.000 4.216) 6.840 9.689 ( -6.782 0.000 2.052) 7.086 10.023 ( -4.328 0.000 5.869) 7.292 10.330 ( 8.467 -0.000 0.806) 8.505 10.598 ( 8.830 -0.000 -10.476) 13.701 10.711 ( -4.597 0.000 -10.419) 11.388 10.877 ( 17.153 -0.000 1.907) 17.259 11.181 ( 2.084 -0.000 14.827) 14.973 11.365 ( -5.358 0.000 -5.855) 7.937 11.660 ( -24.791 0.000 9.333) 26.490 12.676 ( 6.769 -0.000 -7.205) 9.886 12.905 ( -4.851 0.000 4.126) 6.368 13.170 ( 10.407 -0.000 -7.139) 12.621 13.357 ( -0.745 0.000 -1.530) 1.702 13.986 ( 3.086 -0.000 -3.608) 4.747 14.203 ( -6.033 0.000 5.956) 8.478 17.309 ( 5.123 -0.000 -1.918) 5.470 ======================= Grid point 377 (169/468) ======================= q-point: ( 0.00 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 21.189 -0.000 25.105) 32.851 1.702 ( -0.026 0.000 24.626) 24.626 2.511 ( -6.742 0.000 25.243) 26.128 4.129 ( 2.364 -0.000 -2.443) 3.400 4.166 ( 5.503 -0.000 -6.092) 8.210 4.207 ( -12.898 0.000 4.053) 13.519 4.718 ( -8.911 0.000 1.524) 9.040 4.986 ( 1.113 -0.000 -11.228) 11.283 5.513 ( -2.766 0.000 8.809) 9.233 5.725 ( 0.495 -0.000 16.313) 16.321 5.935 ( -2.033 0.000 -5.615) 5.972 6.310 ( 1.549 -0.000 2.182) 2.676 6.576 ( 3.757 -0.000 -9.460) 10.178 6.677 ( 3.593 -0.000 -8.984) 9.676 7.872 ( 0.519 -0.000 10.885) 10.898 7.987 ( -3.002 0.000 9.544) 10.005 8.697 ( 8.735 -0.000 -1.277) 8.828 8.845 ( -13.233 0.000 -14.350) 19.520 9.293 ( 8.085 -0.000 1.321) 8.192 9.593 ( -23.292 0.000 -8.150) 24.677 9.727 ( 12.135 -0.000 0.501) 12.145 10.045 ( 8.188 -0.000 -5.541) 9.886 10.125 ( 4.340 -0.000 4.053) 5.939 10.429 ( -7.171 0.000 -1.790) 7.391 10.459 ( -0.370 0.000 -0.755) 0.841 10.796 ( 6.243 -0.000 -2.497) 6.724 11.268 ( 10.595 -0.000 -0.511) 10.607 11.476 ( -17.212 0.000 10.991) 20.422 12.195 ( 7.758 -0.000 11.440) 13.822 12.436 ( -5.116 0.000 -10.861) 12.005 12.858 ( 10.141 -0.000 -3.718) 10.801 12.906 ( -4.923 0.000 0.987) 5.021 13.644 ( -9.309 0.000 8.635) 12.697 13.938 ( -7.688 0.000 -8.369) 11.364 14.214 ( 12.163 -0.000 2.187) 12.358 16.948 ( 1.723 -0.000 -15.060) 15.158 ======================= Grid point 378 (170/468) ======================= q-point: ( 0.09 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.992 ( 6.987 2.289 19.660) 20.990 2.075 ( 6.822 -4.617 20.497) 22.090 2.856 ( 10.821 -9.383 17.730) 22.792 3.996 ( -12.655 7.145 -1.349) 14.595 4.073 ( 2.064 10.355 -0.463) 10.569 4.267 ( 2.244 -8.938 -1.840) 9.398 4.635 ( -5.799 -6.236 -2.061) 8.761 4.870 ( 0.939 5.086 -6.342) 8.184 5.578 ( -4.292 -4.041 3.813) 7.021 5.763 ( -1.554 5.761 -10.060) 11.697 5.885 ( 1.392 2.757 10.611) 11.051 6.324 ( 1.268 4.839 -0.788) 5.064 6.602 ( 5.310 -2.491 -9.394) 11.075 6.616 ( 2.591 -9.461 -2.326) 10.081 7.958 ( -2.453 6.425 5.582) 8.858 8.115 ( -1.597 -5.826 10.556) 12.162 8.583 ( -5.152 4.135 -1.848) 6.860 8.763 ( 6.286 -0.188 -5.104) 8.099 9.224 ( -14.547 1.638 -3.392) 15.027 9.462 ( 9.646 -2.859 -0.929) 10.104 9.818 ( 7.082 3.801 -2.640) 8.460 10.054 ( 5.591 4.844 -2.545) 7.822 10.222 ( 1.991 -1.721 2.029) 3.323 10.323 ( -9.096 -2.304 3.484) 10.009 10.487 ( -2.624 -3.679 2.647) 5.237 10.828 ( 2.154 -1.790 -2.206) 3.565 11.373 ( 3.553 -2.253 0.498) 4.236 11.430 ( -12.004 -0.058 10.472) 15.930 12.182 ( -3.832 5.938 -11.439) 13.446 12.325 ( 4.031 -0.799 -7.436) 8.496 12.897 ( -0.359 4.858 9.611) 10.775 13.010 ( 6.016 -5.911 3.047) 8.968 13.580 ( -9.574 4.222 4.346) 11.331 13.769 ( -7.229 -8.254 -7.675) 13.390 14.438 ( 13.768 -2.244 5.263) 14.909 16.748 ( 3.041 4.349 -18.225) 18.982 ======================= Grid point 379 (171/468) ======================= q-point: ( 0.18 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 5.028 0.063 11.991) 13.002 2.386 ( 2.302 -1.295 16.831) 17.037 3.261 ( 11.357 -7.748 7.326) 15.579 3.741 ( -11.990 7.246 -2.066) 14.161 4.018 ( -1.706 2.008 -0.719) 2.731 4.344 ( 5.375 -2.529 -0.531) 5.964 4.622 ( -2.487 -8.511 -2.491) 9.211 4.791 ( 1.710 1.769 -2.255) 3.338 5.488 ( 2.960 10.288 -10.598) 15.064 5.675 ( -3.072 -6.944 -0.710) 7.626 5.993 ( 3.102 4.436 6.567) 8.510 6.295 ( 1.775 3.017 -0.317) 3.515 6.527 ( 3.083 1.256 -8.374) 9.012 6.733 ( 1.146 -11.118 -2.704) 11.500 7.841 ( -5.923 5.435 -3.153) 8.635 8.278 ( -2.771 -7.325 10.417) 13.032 8.606 ( 3.584 7.429 8.842) 12.092 8.714 ( 0.760 -0.159 -8.783) 8.818 9.086 ( -5.667 -0.395 3.119) 6.481 9.593 ( 11.218 -0.496 -2.851) 11.585 9.789 ( 3.085 5.510 -4.862) 7.970 10.064 ( 3.476 1.629 -0.476) 3.868 10.178 ( -9.830 2.622 5.108) 11.384 10.420 ( -0.051 -6.546 8.110) 10.423 10.497 ( -4.369 -0.773 4.297) 6.177 10.842 ( -1.158 -3.185 0.996) 3.532 11.369 ( -3.633 3.891 -0.143) 5.325 11.425 ( -7.152 -2.423 5.053) 9.086 11.966 ( -3.976 3.770 -7.796) 9.529 12.230 ( 5.034 0.290 -13.411) 14.328 12.949 ( -1.627 0.907 1.238) 2.236 13.154 ( -1.252 -6.495 4.198) 7.834 13.518 ( -1.644 3.545 4.183) 5.724 13.718 ( -2.579 -6.397 0.522) 6.917 14.708 ( 12.683 -2.186 7.714) 15.004 16.507 ( 4.450 5.278 -20.771) 21.888 ======================= Grid point 380 (172/468) ======================= q-point: ( 0.27 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.092 0.593 4.094) 4.138 2.582 ( 0.178 3.565 13.390) 13.858 3.351 ( -2.828 9.176 2.552) 9.935 3.587 ( -6.313 -5.869 -4.902) 9.916 3.964 ( -5.321 -10.022 -6.859) 13.259 4.430 ( 5.332 0.538 1.007) 5.453 4.665 ( 9.651 -1.473 -3.219) 10.279 4.872 ( 0.783 -11.394 5.984) 12.894 5.296 ( 4.686 12.211 -12.363) 17.998 5.707 ( 0.746 -2.676 0.278) 2.792 6.040 ( 2.256 5.983 2.702) 6.942 6.317 ( 2.714 -1.428 0.414) 3.095 6.459 ( 0.906 1.914 -4.092) 4.608 6.744 ( -0.872 -3.429 -4.742) 5.916 7.739 ( -1.919 -3.971 -2.904) 5.280 8.392 ( -6.859 -6.909 3.508) 10.348 8.583 ( 2.084 0.094 -7.968) 8.237 8.676 ( -0.140 10.139 6.969) 12.304 9.144 ( -1.696 -3.253 7.749) 8.574 9.663 ( 11.831 6.185 -5.980) 14.628 9.704 ( 0.425 5.132 -3.066) 5.993 10.084 ( -1.918 -1.168 1.769) 2.859 10.129 ( -5.644 5.034 8.642) 11.484 10.427 ( -9.147 -2.359 2.787) 9.849 10.651 ( 4.518 -2.459 10.476) 11.671 10.889 ( -4.477 -4.363 5.942) 8.625 11.248 ( 1.467 6.410 -5.587) 8.629 11.432 ( -6.314 -4.374 5.771) 9.608 11.802 ( -6.955 4.283 -2.741) 8.616 12.170 ( 8.466 -2.969 -11.657) 14.710 12.870 ( -2.120 -4.630 -10.821) 11.960 13.165 ( -12.191 -7.619 2.111) 14.530 13.568 ( 6.404 4.349 3.453) 8.476 13.837 ( 3.500 -0.793 10.560) 11.154 14.956 ( 9.088 1.921 8.366) 12.501 16.275 ( 6.878 1.881 -21.441) 22.596 ======================= Grid point 381 (173/468) ======================= q-point: (-0.64 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -6.671 4.524 2.200) 8.355 2.630 ( -4.285 10.544 6.226) 12.973 3.275 ( -1.829 7.146 4.628) 8.708 3.484 ( -7.658 -8.835 -6.949) 13.601 3.889 ( -7.068 -17.411 -10.972) 21.760 4.471 ( 1.538 2.447 1.042) 3.072 4.803 ( 15.628 -2.598 -5.896) 16.904 5.065 ( 0.639 4.230 0.852) 4.362 5.115 ( 2.589 -4.265 -2.047) 5.393 5.719 ( 1.995 3.839 -1.037) 4.449 6.027 ( -0.319 5.655 2.034) 6.019 6.394 ( 4.463 -3.306 0.655) 5.592 6.420 ( 0.627 2.481 0.190) 2.566 6.703 ( 0.150 -0.838 -2.353) 2.502 7.779 ( 1.087 -11.523 -1.437) 11.663 8.252 ( -8.446 -2.497 -11.683) 14.631 8.602 ( -0.406 -2.031 3.027) 3.668 8.648 ( -1.386 9.179 4.037) 10.123 9.211 ( -5.026 -6.168 2.826) 8.444 9.544 ( -4.230 9.882 -1.852) 10.907 9.762 ( 16.770 7.145 -3.781) 18.617 10.067 ( -2.950 1.325 0.452) 3.266 10.169 ( -2.821 3.161 11.497) 12.253 10.372 ( -7.428 -2.759 2.107) 8.199 10.772 ( -4.127 3.953 3.675) 6.794 10.927 ( -0.612 -2.671 5.125) 5.811 11.267 ( 8.040 4.672 5.896) 11.010 11.494 ( -4.389 -12.342 1.657) 13.203 11.686 ( -3.094 3.477 3.251) 5.678 12.165 ( 6.468 -2.840 -9.591) 11.912 12.754 ( 1.712 -6.604 -12.990) 14.673 13.071 ( -14.363 -6.358 1.394) 15.769 13.662 ( 8.835 4.825 1.566) 10.188 14.023 ( 2.428 1.805 12.389) 12.753 15.059 ( 3.349 11.665 3.245) 12.563 16.161 ( 10.383 -7.160 -16.034) 20.400 ======================= Grid point 382 (174/468) ======================= q-point: (-0.55 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -12.068 9.356 3.766) 15.728 2.449 ( -11.763 15.097 0.180) 19.140 3.299 ( 4.024 5.595 3.371) 7.672 3.409 ( -8.721 -13.012 -2.655) 15.888 3.818 ( -6.840 -19.533 -11.882) 23.864 4.459 ( -1.341 4.246 1.555) 4.717 4.798 ( 6.814 10.699 -9.790) 16.023 5.049 ( 7.101 -3.506 -1.344) 8.033 5.251 ( -0.302 -8.344 0.967) 8.405 5.672 ( -1.093 6.349 0.684) 6.479 5.985 ( -4.943 4.733 2.481) 7.279 6.451 ( 4.836 1.611 4.183) 6.594 6.494 ( 5.606 -2.222 -0.216) 6.034 6.707 ( 0.546 -0.605 0.377) 0.898 7.916 ( 3.328 -14.873 0.823) 15.263 8.011 ( -9.062 -2.164 -11.310) 14.653 8.561 ( -1.379 12.002 1.825) 12.218 8.653 ( -3.518 -5.662 1.759) 6.894 9.221 ( -4.008 -8.775 -2.419) 9.946 9.418 ( -3.300 9.161 4.695) 10.810 9.828 ( 12.007 5.667 -6.883) 14.955 10.009 ( -2.322 3.181 -0.955) 4.052 10.257 ( -1.385 1.629 7.078) 7.394 10.360 ( -3.007 -0.906 5.526) 6.355 10.649 ( -7.279 3.179 -2.541) 8.339 11.031 ( 4.968 2.842 5.422) 7.884 11.378 ( -0.735 5.917 6.884) 9.107 11.569 ( 4.238 -10.203 -1.919) 11.214 11.773 ( 2.314 -3.943 6.339) 7.815 12.135 ( 1.745 -4.226 -6.128) 7.645 12.740 ( 7.492 -2.924 -5.397) 9.686 12.981 ( -9.300 -5.162 1.672) 10.768 13.722 ( 5.494 4.336 -0.689) 7.033 14.151 ( -0.379 2.735 8.363) 8.807 14.929 ( 0.263 19.080 -4.286) 19.558 16.254 ( 10.636 -14.299 -6.442) 18.949 ======================= Grid point 383 (175/468) ======================= q-point: (-0.45 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( -16.324 12.486 4.597) 21.059 2.128 ( -17.536 15.503 0.219) 23.408 3.254 ( -2.456 16.570 0.134) 16.751 3.460 ( -5.335 -15.847 4.751) 17.383 3.752 ( -5.664 -19.247 -12.280) 23.523 4.442 ( -0.902 -0.358 2.865) 3.025 4.705 ( 7.071 11.507 -3.082) 13.853 5.123 ( 3.670 2.100 -0.147) 4.231 5.286 ( -1.100 -14.313 -7.064) 15.999 5.620 ( -5.963 3.077 4.732) 8.211 5.859 ( -9.720 7.122 -0.291) 12.054 6.557 ( 6.796 0.738 -3.452) 7.658 6.607 ( 9.240 1.190 6.004) 11.083 6.730 ( -1.388 -0.073 5.335) 5.513 7.794 ( -8.471 -4.205 -9.730) 13.569 8.124 ( 4.220 -10.650 4.701) 12.382 8.468 ( 0.027 4.150 -2.073) 4.640 8.692 ( -0.622 -3.320 3.699) 5.009 9.180 ( -5.880 -6.879 -3.895) 9.852 9.460 ( 1.594 0.426 8.586) 8.743 9.786 ( 2.817 2.071 -9.320) 9.954 9.938 ( -0.929 6.010 -0.718) 6.124 10.264 ( -3.201 0.469 2.503) 4.091 10.422 ( -1.240 0.976 1.970) 2.524 10.547 ( 0.690 1.278 1.237) 1.907 11.125 ( 6.435 7.163 4.392) 10.584 11.328 ( -1.781 -0.452 -10.988) 11.141 11.619 ( 2.114 -2.522 -1.774) 3.739 11.956 ( 5.558 0.493 11.313) 12.614 12.176 ( 0.910 -7.986 0.701) 8.068 12.783 ( 3.193 -0.091 -1.766) 3.650 13.033 ( 4.903 -1.836 6.369) 8.245 13.693 ( -0.049 3.319 -4.704) 5.757 14.158 ( -2.399 3.239 -0.756) 4.101 14.705 ( -0.292 19.609 -2.738) 19.802 16.463 ( 7.194 -16.816 -0.602) 18.300 ======================= Grid point 384 (176/468) ======================= q-point: (-0.36 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -21.749 12.059 -0.718) 24.879 1.814 ( -18.734 15.373 8.458) 25.667 2.963 ( -17.352 30.959 7.951) 36.369 3.638 ( -0.829 -16.859 7.324) 18.400 3.721 ( -2.009 -19.674 -11.066) 22.662 4.503 ( 0.338 -2.508 1.948) 3.193 4.696 ( 7.441 10.562 2.614) 13.182 5.130 ( 5.288 6.489 0.410) 8.381 5.314 ( -5.090 -18.285 -5.040) 19.638 5.591 ( -7.730 -1.869 5.078) 9.436 5.632 ( -11.473 7.401 -2.685) 13.915 6.544 ( 5.718 6.455 -5.722) 10.349 6.741 ( 6.111 -2.365 -0.071) 6.553 6.854 ( 1.921 1.319 11.111) 11.352 7.635 ( -7.447 -4.558 -5.280) 10.204 8.199 ( -0.422 8.847 1.856) 9.050 8.525 ( 9.103 -13.316 -5.517) 17.048 8.812 ( 2.944 -3.471 8.302) 9.468 9.124 ( -6.265 -8.721 -3.686) 11.353 9.587 ( -3.100 -4.057 3.586) 6.239 9.684 ( 2.281 -0.677 -2.185) 3.231 9.871 ( -1.964 5.676 1.207) 6.126 10.262 ( -1.486 2.244 3.651) 4.536 10.368 ( 0.288 0.046 -3.548) 3.560 10.657 ( 4.525 -2.478 3.966) 6.507 11.041 ( 1.687 6.300 -23.232) 24.130 11.199 ( 1.812 3.430 3.843) 5.460 11.708 ( 8.248 1.645 2.279) 8.714 12.098 ( 0.740 3.414 6.044) 6.981 12.262 ( -2.469 -6.444 3.187) 7.601 12.837 ( 7.799 0.135 0.941) 7.857 13.199 ( 8.589 4.553 4.778) 10.832 13.545 ( -4.332 3.125 -9.187) 10.627 14.044 ( -0.604 3.434 -7.383) 8.164 14.545 ( -3.279 14.843 3.789) 15.666 16.687 ( 2.595 -18.573 2.270) 18.891 ======================= Grid point 385 (177/468) ======================= q-point: (-0.27 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -24.342 12.664 -1.145) 27.463 1.577 ( -19.225 15.370 12.056) 27.408 2.589 ( -24.198 33.439 21.906) 46.729 3.764 ( 1.774 -19.920 -8.609) 21.773 3.911 ( 1.217 -16.914 12.039) 20.797 4.495 ( -1.431 2.977 0.293) 3.316 4.754 ( 3.996 8.914 5.924) 11.424 5.133 ( 0.518 0.582 -5.142) 5.200 5.341 ( -5.151 -3.208 5.021) 7.876 5.433 ( -5.827 0.552 -1.923) 6.161 5.627 ( -2.308 -8.407 4.077) 9.624 6.473 ( 2.775 7.110 -3.966) 8.601 6.813 ( 3.207 -3.191 -2.259) 5.057 6.917 ( 0.825 4.849 -1.564) 5.162 7.582 ( -4.243 -4.559 2.988) 6.907 8.103 ( -1.281 11.811 0.456) 11.889 8.694 ( 8.313 -13.182 -4.090) 16.112 8.967 ( 5.284 -3.344 0.623) 6.284 9.024 ( -5.726 -1.652 -6.815) 9.054 9.622 ( -4.284 -9.916 8.001) 13.442 9.801 ( 6.983 9.582 5.966) 13.273 9.845 ( -5.932 -10.467 2.928) 12.383 10.272 ( 0.512 -0.062 2.050) 2.114 10.393 ( 6.092 0.203 0.402) 6.109 10.552 ( -10.550 -1.666 -18.890) 21.700 10.911 ( 14.756 4.168 -3.832) 15.805 11.265 ( 4.563 4.610 6.410) 9.120 11.759 ( 6.660 11.092 -5.105) 13.909 12.039 ( -9.969 4.955 -0.558) 11.147 12.319 ( 1.134 -8.978 -1.400) 9.157 12.960 ( 5.849 1.383 2.619) 6.556 13.209 ( 4.575 8.782 -7.326) 12.317 13.406 ( 1.224 4.162 -0.478) 4.365 13.953 ( 2.580 1.990 -4.691) 5.712 14.443 ( -6.634 9.652 5.946) 13.135 16.894 ( -0.833 -20.139 2.293) 20.287 ======================= Grid point 386 (178/468) ======================= q-point: (-0.18 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -15.894 17.186 8.420) 24.877 1.414 ( -15.490 14.685 19.731) 29.067 2.389 ( -23.338 22.134 31.117) 44.754 3.878 ( 4.126 -19.261 -6.482) 20.737 4.176 ( -0.387 -8.967 5.695) 10.630 4.507 ( -0.958 -0.821 6.675) 6.793 4.706 ( -7.221 4.439 -1.126) 8.551 5.121 ( 2.385 0.275 9.722) 10.014 5.304 ( 0.903 0.830 -8.260) 8.350 5.422 ( -5.500 0.744 8.171) 9.878 5.783 ( 4.947 -7.597 4.688) 10.206 6.406 ( 0.653 7.938 -0.238) 7.968 6.777 ( 1.496 4.450 -10.854) 11.826 6.818 ( -0.732 -2.454 -5.087) 5.696 7.655 ( -3.011 -3.761 8.257) 9.560 7.998 ( -1.685 11.295 2.152) 11.621 8.720 ( -3.758 -2.170 -8.923) 9.923 8.968 ( 5.403 -4.379 2.457) 7.375 9.131 ( 9.174 -11.349 -0.933) 14.623 9.671 ( -7.990 3.864 -0.657) 8.900 9.847 ( 3.316 -0.811 3.751) 5.072 9.954 ( 1.131 -6.154 3.450) 7.145 10.198 ( -5.361 1.621 -14.224) 15.287 10.375 ( -1.915 -9.715 5.225) 11.196 10.507 ( 7.890 -1.547 0.802) 8.081 11.016 ( 13.123 3.464 -3.509) 14.019 11.304 ( 2.678 18.508 -15.455) 24.260 11.536 ( 1.507 9.958 1.497) 10.182 11.869 ( -18.862 -0.113 9.309) 21.035 12.422 ( 7.712 -9.704 -4.486) 13.183 12.977 ( -3.785 0.974 0.120) 3.910 13.083 ( 4.098 6.587 -9.561) 12.312 13.471 ( 5.428 3.187 6.946) 9.374 13.952 ( 5.941 2.093 -1.602) 6.499 14.345 ( -7.595 7.414 3.257) 11.102 17.046 ( -1.098 -17.484 -3.102) 17.791 ======================= Grid point 387 (179/468) ======================= q-point: (-0.09 0.00 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 13.806 7.366 26.068) 30.404 1.461 ( -7.101 8.171 25.478) 27.683 2.375 ( -18.661 10.095 30.097) 36.823 4.018 ( 4.504 -16.503 -4.548) 17.701 4.205 ( -0.105 0.917 -1.640) 1.882 4.393 ( -10.501 9.781 -1.017) 14.386 4.729 ( -5.974 -7.819 7.268) 12.232 5.143 ( 0.506 -0.050 -14.435) 14.444 5.430 ( 5.390 -3.204 20.343) 21.287 5.454 ( -3.035 2.700 8.941) 9.821 5.928 ( 2.758 -5.486 0.680) 6.177 6.330 ( -1.432 9.780 1.918) 10.068 6.661 ( 4.620 -1.003 -11.559) 12.488 6.750 ( 0.655 -0.239 -7.235) 7.269 7.750 ( -3.373 -2.094 9.713) 10.494 7.946 ( -1.891 6.544 6.138) 9.169 8.635 ( 3.439 0.834 -2.817) 4.523 9.081 ( -1.831 -13.195 -5.574) 14.440 9.263 ( 0.230 2.515 -5.765) 6.294 9.532 ( 8.506 0.072 0.063) 8.506 9.962 ( -3.370 -7.806 -5.536) 10.146 9.972 ( -9.279 0.631 1.114) 9.367 10.038 ( 4.712 2.580 1.910) 5.701 10.455 ( -3.472 -7.313 -0.274) 8.100 10.582 ( 4.752 0.794 -8.450) 9.727 10.826 ( 0.239 18.485 -9.268) 20.680 11.137 ( 14.644 4.239 -1.815) 15.353 11.571 ( -13.639 0.510 7.938) 15.789 11.918 ( 0.333 -1.727 18.306) 18.390 12.524 ( 6.591 -5.798 -6.965) 11.206 12.864 ( -4.975 0.814 -3.742) 6.278 12.989 ( 2.200 2.812 -6.946) 7.810 13.595 ( -0.918 -0.351 8.648) 8.704 14.016 ( 6.776 1.137 0.131) 6.872 14.197 ( -5.897 6.468 -2.583) 9.126 17.065 ( 0.202 -8.334 -10.535) 13.435 ======================= Grid point 389 (180/468) ======================= q-point: ( 0.09 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 4.478 -0.000 12.741) 13.505 2.370 ( 4.866 -0.000 16.830) 17.519 3.168 ( 13.851 -0.000 10.012) 17.091 3.839 ( -12.415 0.000 -4.003) 13.044 4.031 ( -6.449 0.000 -4.305) 7.754 4.343 ( 8.764 -0.000 4.311) 9.767 4.470 ( -6.224 0.000 -3.926) 7.359 4.859 ( 1.857 -0.000 -3.717) 4.155 5.571 ( -0.416 0.000 4.080) 4.101 5.610 ( 2.227 -0.000 -16.185) 16.337 6.030 ( 2.177 -0.000 7.253) 7.573 6.400 ( 2.520 -0.000 -0.186) 2.527 6.545 ( 3.133 -0.000 -7.222) 7.872 6.549 ( 2.026 -0.000 -2.342) 3.097 7.908 ( -7.068 0.000 -6.790) 9.801 8.197 ( -4.777 0.000 13.201) 14.039 8.680 ( 4.954 -0.000 10.752) 11.838 8.712 ( 0.999 -0.000 -9.676) 9.727 9.077 ( -7.498 0.000 1.957) 7.749 9.593 ( 12.344 -0.000 0.494) 12.354 9.839 ( 2.841 -0.000 -6.403) 7.005 10.060 ( 0.868 -0.000 -4.231) 4.319 10.255 ( -7.392 0.000 6.587) 9.900 10.324 ( 0.192 -0.000 8.855) 8.857 10.491 ( -1.955 0.000 5.456) 5.795 10.809 ( -0.084 0.000 -1.673) 1.675 11.358 ( -3.880 0.000 -0.637) 3.932 11.447 ( -7.738 0.000 10.007) 12.650 12.004 ( -3.788 0.000 -10.398) 11.066 12.231 ( 4.676 -0.000 -14.472) 15.209 12.976 ( -11.272 0.000 4.882) 12.284 13.070 ( 4.124 -0.000 -0.028) 4.124 13.571 ( -4.186 0.000 5.307) 6.759 13.644 ( 3.139 -0.000 1.872) 3.655 14.688 ( 13.417 -0.000 8.506) 15.886 16.555 ( 3.731 -0.000 -22.058) 22.371 ======================= Grid point 390 (181/468) ======================= q-point: ( 0.18 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 1.949 1.823 6.047) 6.610 2.610 ( 3.102 0.227 13.492) 13.846 3.367 ( 2.133 -4.368 1.079) 4.979 3.615 ( -8.300 6.524 -4.666) 11.542 3.850 ( -8.614 -3.323 -12.138) 15.251 4.415 ( -3.115 -3.353 4.857) 6.673 4.548 ( 8.078 -4.866 5.484) 10.909 4.831 ( 3.096 1.287 -3.262) 4.678 5.437 ( 5.341 3.980 -15.902) 17.241 5.686 ( 6.930 -0.206 5.840) 9.065 6.114 ( 0.178 2.070 4.821) 5.249 6.365 ( 2.644 6.242 -2.475) 7.216 6.487 ( 2.476 2.229 -4.925) 5.946 6.611 ( 1.200 -10.677 -3.260) 11.228 7.725 ( -5.406 0.931 -6.402) 8.431 8.278 ( -9.921 -4.488 8.719) 13.949 8.586 ( 1.328 0.076 -10.317) 10.402 8.836 ( 2.473 6.500 7.782) 10.437 9.083 ( -2.725 -2.982 6.088) 7.307 9.750 ( 12.658 3.373 0.480) 13.108 9.764 ( 0.004 1.459 -6.111) 6.282 10.038 ( -3.248 -2.220 2.700) 4.772 10.243 ( -3.231 5.864 6.875) 9.597 10.392 ( -6.345 -2.056 5.082) 8.385 10.620 ( 5.248 -0.138 10.784) 11.994 10.803 ( -2.314 -4.834 1.073) 5.466 11.268 ( -7.233 -1.239 -2.155) 7.648 11.451 ( -3.581 3.157 3.560) 5.956 11.855 ( -4.541 1.640 -4.190) 6.393 12.137 ( 7.336 -0.941 -11.591) 13.749 12.798 ( -8.212 -2.765 -10.842) 13.879 13.068 ( -7.409 -3.141 0.872) 8.094 13.638 ( 6.913 2.950 3.909) 8.472 13.817 ( 4.316 -1.246 12.865) 13.627 14.969 ( 10.868 0.108 11.374) 15.732 16.307 ( 4.706 1.246 -24.530) 25.008 ======================= Grid point 391 (182/468) ======================= q-point: (-0.73 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -2.256 4.900 3.127) 6.235 2.760 ( -0.242 3.974 8.996) 9.838 3.323 ( -10.147 -5.406 -4.945) 12.515 3.443 ( -2.677 7.537 -1.403) 8.120 3.619 ( -7.641 -11.911 -16.131) 21.459 4.498 ( 0.539 -0.960 5.510) 5.619 4.743 ( 10.692 -2.564 -2.023) 11.179 4.891 ( 0.329 -9.763 6.570) 11.772 5.270 ( 4.136 7.786 -12.077) 14.953 5.834 ( 9.408 8.047 4.027) 13.019 6.111 ( -2.491 3.825 1.445) 4.788 6.358 ( 3.687 -0.574 0.268) 3.741 6.453 ( 1.811 1.427 -2.013) 3.061 6.646 ( 1.089 -5.753 -4.156) 7.180 7.639 ( -0.879 -4.523 -3.069) 5.536 8.189 ( -13.428 -4.187 -4.094) 14.650 8.544 ( 1.816 -1.974 -1.838) 3.251 8.834 ( -2.132 8.125 3.119) 8.960 9.136 ( -3.833 -1.736 3.931) 5.758 9.657 ( -3.613 2.827 -3.986) 6.077 9.870 ( 12.091 4.102 -1.582) 12.865 10.068 ( -1.924 -0.420 3.937) 4.402 10.247 ( -4.045 6.093 8.437) 11.165 10.367 ( -4.702 2.546 4.571) 7.035 10.820 ( 3.081 0.722 7.096) 7.770 10.839 ( -2.474 -6.795 2.219) 7.564 11.231 ( 0.444 -7.390 0.960) 7.466 11.408 ( -1.714 1.825 -0.365) 2.530 11.764 ( -3.382 4.695 3.469) 6.746 12.131 ( 6.804 -1.205 -7.726) 10.365 12.628 ( -0.035 -6.949 -11.906) 13.786 12.988 ( -9.624 -3.339 -0.052) 10.187 13.751 ( 8.390 4.857 2.878) 10.113 14.032 ( 2.648 -0.604 12.122) 12.423 15.205 ( 5.981 5.468 11.095) 13.739 16.073 ( 6.711 -3.096 -23.270) 24.416 ======================= Grid point 392 (183/468) ======================= q-point: (-0.64 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( -6.114 8.779 3.637) 11.300 2.703 ( -7.159 13.144 -0.403) 14.973 3.177 ( -13.576 -11.287 -1.063) 17.687 3.409 ( 4.392 4.091 1.597) 6.211 3.477 ( -5.393 -17.294 -14.522) 23.218 4.549 ( 0.366 3.416 2.976) 4.545 4.803 ( 7.383 -5.290 -10.182) 13.644 5.094 ( 1.640 -5.761 4.265) 7.353 5.139 ( 0.435 6.770 1.801) 7.019 5.838 ( 2.614 12.467 -1.072) 12.783 6.051 ( -4.955 3.012 1.815) 6.076 6.457 ( 5.258 -1.313 2.519) 5.976 6.469 ( 2.718 -0.892 2.010) 3.496 6.663 ( 2.974 -4.068 -3.092) 5.912 7.694 ( 3.284 -10.137 -1.398) 10.747 7.978 ( -12.203 -2.110 -6.467) 13.971 8.566 ( -1.922 -3.730 0.487) 4.224 8.744 ( -4.275 6.888 0.179) 8.109 9.124 ( -3.585 -0.501 0.676) 3.682 9.553 ( -4.234 4.825 1.774) 6.659 9.893 ( 3.643 2.254 -6.409) 7.709 10.086 ( 3.599 4.367 -0.537) 5.684 10.224 ( -6.634 -1.079 3.139) 7.419 10.402 ( -0.452 3.962 9.437) 10.245 10.717 ( -7.316 4.165 -2.044) 8.663 11.022 ( 5.209 -4.767 3.993) 8.112 11.354 ( 0.761 -9.328 0.335) 9.365 11.409 ( 3.897 -3.948 -2.453) 6.066 11.827 ( 4.804 7.498 14.279) 16.828 12.084 ( 1.939 -1.848 -8.816) 9.214 12.666 ( 9.987 -5.096 -1.765) 11.350 12.906 ( -6.667 -3.548 -0.153) 7.554 13.813 ( 4.798 5.719 0.436) 7.478 14.174 ( 0.071 -0.007 6.952) 6.952 15.232 ( 1.121 16.122 0.159) 16.162 16.019 ( 7.852 -13.049 -10.151) 18.302 ======================= Grid point 393 (184/468) ======================= q-point: (-0.55 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( -10.368 13.187 2.635) 16.981 2.407 ( -13.388 16.092 -2.671) 21.102 3.179 ( -9.002 -14.708 5.080) 17.977 3.398 ( -3.294 -17.878 -13.363) 22.562 3.485 ( 6.199 5.603 3.951) 9.242 4.527 ( -2.242 5.987 3.010) 7.067 4.793 ( 5.281 -3.633 -8.784) 10.875 5.062 ( 0.904 3.853 -1.611) 4.273 5.231 ( -1.466 0.073 6.212) 6.383 5.709 ( -6.707 6.872 -0.153) 9.603 5.961 ( -8.016 5.000 0.688) 9.473 6.551 ( 6.195 -0.286 0.902) 6.267 6.597 ( 4.667 -3.532 6.560) 8.792 6.705 ( 3.627 -2.495 -1.947) 4.814 7.714 ( -5.428 -5.288 -10.846) 13.231 7.923 ( 1.858 -10.137 7.264) 12.608 8.546 ( -3.816 0.484 -1.712) 4.210 8.662 ( -2.149 1.439 1.676) 3.082 9.074 ( -5.515 -2.843 -1.693) 6.432 9.526 ( -2.535 5.494 7.245) 9.439 9.799 ( 1.144 0.489 -10.245) 10.321 10.061 ( 1.120 6.414 -0.559) 6.535 10.209 ( -3.722 -4.843 1.062) 6.200 10.441 ( -2.913 0.859 0.820) 3.146 10.609 ( -0.395 5.406 2.169) 5.838 11.123 ( -0.662 -5.694 -0.344) 5.743 11.378 ( 6.019 4.294 -7.883) 10.808 11.467 ( 3.174 -11.320 -4.054) 12.436 12.017 ( 5.147 -0.846 2.797) 5.919 12.122 ( 7.242 5.743 13.978) 16.758 12.776 ( 4.383 -0.403 -1.995) 4.833 12.983 ( 8.512 -3.864 7.909) 12.244 13.772 ( -0.398 5.530 -3.893) 6.775 14.193 ( -2.621 0.791 -1.171) 2.978 15.036 ( 0.142 18.813 -5.421) 19.579 16.177 ( 3.989 -16.283 0.755) 16.781 ======================= Grid point 394 (185/468) ======================= q-point: (-0.45 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -15.120 15.697 -3.067) 22.009 2.102 ( -14.241 17.846 5.557) 23.499 3.298 ( -7.461 -10.031 9.800) 15.885 3.369 ( -2.226 -19.667 -10.068) 22.206 3.502 ( 1.720 15.954 4.996) 16.806 4.512 ( -0.136 4.699 5.272) 7.063 4.803 ( 5.054 -4.851 -4.520) 8.337 5.036 ( -1.712 -4.888 -2.018) 5.558 5.249 ( -0.623 6.258 3.952) 7.428 5.591 ( -9.392 1.124 4.107) 10.312 5.766 ( -12.681 7.445 -2.180) 14.866 6.615 ( 6.876 1.909 -3.971) 8.166 6.712 ( 4.987 -0.705 -3.034) 5.880 6.812 ( 0.108 -6.187 10.377) 12.082 7.565 ( -4.873 -3.356 -5.924) 8.373 8.192 ( 8.896 -11.939 6.186) 16.123 8.438 ( -1.701 5.007 -4.652) 7.044 8.717 ( -0.360 -6.748 4.934) 8.367 9.003 ( -7.880 -4.900 -1.042) 9.337 9.543 ( -5.190 0.592 4.993) 7.226 9.686 ( 0.817 0.769 -6.599) 6.694 10.007 ( 0.155 7.307 0.980) 7.374 10.244 ( -0.525 -4.154 2.565) 4.911 10.377 ( 0.384 1.179 -4.457) 4.626 10.640 ( 0.221 0.661 3.197) 3.272 11.028 ( -2.042 -3.724 -16.489) 17.027 11.343 ( 6.405 8.161 0.442) 10.384 11.590 ( 7.731 -9.963 -2.347) 12.828 12.092 ( 3.151 -4.739 -2.541) 6.233 12.323 ( 2.229 10.096 14.082) 17.470 12.853 ( 11.880 2.123 1.367) 12.145 13.246 ( 11.932 0.933 7.584) 14.169 13.618 ( -3.979 5.257 -7.750) 10.175 14.080 ( -3.355 0.962 -7.955) 8.687 14.825 ( -2.142 17.074 -1.318) 17.258 16.375 ( -1.261 -17.473 4.382) 18.058 ======================= Grid point 395 (186/468) ======================= q-point: (-0.36 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( -14.820 19.011 -1.132) 24.131 1.867 ( -14.432 18.559 10.299) 25.666 3.193 ( -15.381 31.543 14.133) 37.832 3.414 ( 0.902 -17.933 -7.363) 19.406 3.611 ( -1.006 -16.580 10.911) 19.874 4.529 ( 0.454 1.807 -0.566) 1.948 4.903 ( 6.435 4.572 5.229) 9.469 5.048 ( -3.006 -13.067 -3.895) 13.963 5.252 ( 2.111 1.961 3.958) 4.896 5.502 ( -12.546 6.046 -2.703) 14.187 5.574 ( -7.102 -0.125 9.588) 11.932 6.567 ( 1.745 4.243 -6.437) 7.905 6.752 ( 4.465 -3.076 -3.434) 6.418 6.938 ( -1.051 -3.190 1.939) 3.878 7.528 ( -0.395 -2.136 1.683) 2.748 8.294 ( -0.163 10.346 -2.218) 10.582 8.462 ( 8.236 -13.653 -2.163) 16.091 8.846 ( -0.302 -10.536 0.510) 10.552 8.962 ( -5.942 -5.264 2.047) 8.198 9.507 ( -3.522 -2.648 2.501) 5.067 9.691 ( -4.657 -5.037 5.730) 8.938 9.988 ( 4.733 9.254 2.930) 10.800 10.294 ( 1.095 1.240 0.214) 1.668 10.369 ( 3.136 -2.613 0.866) 4.173 10.533 ( -7.414 0.084 -14.517) 16.301 10.939 ( 9.556 -0.581 -4.441) 10.553 11.372 ( 4.306 6.519 3.189) 8.438 11.743 ( 6.542 -7.493 -1.055) 10.003 12.090 ( 2.607 -3.006 -10.008) 10.770 12.336 ( -2.212 10.043 2.621) 10.612 13.003 ( 9.456 3.789 0.082) 10.187 13.336 ( 4.161 6.114 -6.076) 9.572 13.496 ( 3.892 6.173 -0.444) 7.311 13.966 ( 0.843 -0.367 -4.249) 4.348 14.657 ( -5.656 14.543 3.730) 16.044 16.548 ( -5.541 -19.372 5.175) 20.803 ======================= Grid point 396 (187/468) ======================= q-point: (-0.27 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -7.331 23.530 7.379) 25.727 1.700 ( -12.418 18.098 16.015) 27.170 2.896 ( -17.677 34.588 19.925) 43.655 3.531 ( 2.383 -20.467 -4.020) 20.994 3.900 ( -3.494 -20.244 11.867) 23.725 4.494 ( -0.781 -0.327 -1.444) 1.674 4.849 ( -3.493 9.993 -5.520) 11.938 5.137 ( 2.487 -0.933 8.622) 9.022 5.316 ( -6.021 0.713 -2.551) 6.578 5.394 ( 3.028 -4.818 6.731) 8.814 5.659 ( -2.682 -3.881 10.190) 11.229 6.485 ( 2.067 2.601 -3.519) 4.839 6.767 ( 2.862 -2.864 -5.815) 7.086 6.868 ( -1.858 3.853 -8.818) 9.801 7.611 ( -0.121 -1.738 7.891) 8.081 8.179 ( -0.098 9.087 -1.905) 9.285 8.606 ( 4.259 -9.604 -4.406) 11.393 8.878 ( -3.113 -11.672 -6.519) 13.726 8.978 ( 0.086 -1.517 5.668) 5.868 9.614 ( 0.104 -14.401 1.301) 14.460 9.739 ( -6.061 1.651 8.432) 10.515 10.040 ( 6.082 7.674 5.411) 11.187 10.206 ( -11.752 0.967 -11.242) 16.292 10.315 ( 4.872 0.259 -0.472) 4.902 10.483 ( 6.945 -1.748 0.795) 7.205 11.047 ( 10.052 0.038 -1.892) 10.228 11.435 ( 3.741 2.599 4.837) 6.644 11.800 ( 3.995 8.434 -6.119) 11.160 11.884 ( -3.752 5.133 -15.916) 17.139 12.275 ( -0.878 -4.578 0.200) 4.665 12.999 ( -0.000 1.464 -3.428) 3.727 13.206 ( 2.118 7.420 -11.795) 14.095 13.531 ( 4.340 3.533 4.055) 6.910 13.995 ( 6.642 2.704 -0.089) 7.172 14.528 ( -6.119 13.479 5.930) 15.946 16.701 ( -5.582 -20.999 2.826) 21.911 ======================= Grid point 397 (188/468) ======================= q-point: (-0.18 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 7.047 18.883 19.901) 28.324 1.674 ( -6.440 15.055 21.797) 27.263 2.701 ( -13.364 26.608 22.479) 37.308 3.707 ( 3.380 -19.085 -1.068) 19.411 4.086 ( -8.083 -14.522 4.027) 17.101 4.532 ( -1.412 -7.305 4.285) 8.586 4.616 ( -2.929 10.752 -7.776) 13.589 5.172 ( -1.540 2.919 -7.541) 8.232 5.365 ( 2.270 -2.464 15.915) 16.264 5.532 ( 0.449 2.627 10.395) 10.732 5.766 ( -3.579 -10.456 1.084) 11.105 6.508 ( 5.428 6.468 1.817) 8.637 6.669 ( 0.772 3.470 -11.615) 12.146 6.733 ( 2.032 -1.525 -7.331) 7.759 7.718 ( -3.326 -1.476 9.927) 10.573 8.094 ( -0.588 8.933 1.713) 9.115 8.638 ( 5.800 -1.687 -4.848) 7.745 8.837 ( -6.353 -14.645 -8.755) 18.207 9.161 ( 6.252 -8.289 7.045) 12.547 9.614 ( -3.009 1.723 -6.379) 7.260 9.780 ( 1.707 -6.079 0.535) 6.337 9.963 ( -14.618 -0.686 -0.259) 14.636 10.129 ( 4.998 5.867 5.132) 9.260 10.388 ( 1.591 -1.381 1.978) 2.890 10.573 ( 7.156 -1.466 -3.667) 8.173 11.087 ( 4.036 7.278 -6.891) 10.804 11.318 ( 3.559 15.026 -13.194) 20.311 11.608 ( -3.897 5.163 1.952) 6.757 11.875 ( 0.576 -2.379 11.644) 11.898 12.365 ( 3.236 -11.210 -2.494) 11.931 12.895 ( -6.071 2.246 -4.841) 8.083 13.050 ( 5.394 3.621 -10.578) 12.414 13.596 ( -1.439 0.883 5.301) 5.563 14.052 ( 5.664 2.843 0.617) 6.367 14.391 ( -4.555 15.104 1.604) 15.857 16.822 ( -1.422 -18.354 -4.407) 18.929 ======================= Grid point 398 (189/468) ======================= q-point: (-0.09 0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 14.306 4.364 23.998) 28.277 1.816 ( 0.605 10.100 23.101) 25.220 2.678 ( -2.999 18.416 21.452) 28.431 3.903 ( 3.864 -16.096 0.716) 16.568 4.081 ( -10.620 -9.395 -0.338) 14.183 4.403 ( 0.376 13.040 -5.489) 14.153 4.658 ( -4.000 -9.817 4.582) 11.549 4.993 ( -1.610 5.172 -10.603) 11.906 5.585 ( 0.025 3.903 8.666) 9.504 5.669 ( 0.102 -2.437 16.684) 16.861 5.788 ( -3.350 -14.364 -5.598) 15.776 6.393 ( -3.512 8.178 -4.053) 9.780 6.650 ( 9.762 3.117 -7.483) 12.689 6.677 ( 3.026 2.348 -5.450) 6.662 7.822 ( -3.394 -3.870 11.201) 12.327 8.068 ( -0.650 7.166 6.748) 9.864 8.695 ( 7.234 -4.881 -7.916) 11.782 8.729 ( -7.645 -6.779 -5.719) 11.709 9.331 ( 1.991 -1.960 1.238) 3.056 9.508 ( -5.243 -2.150 -5.905) 8.184 9.737 ( -0.357 0.232 -1.801) 1.850 9.948 ( 1.257 -7.618 2.168) 8.019 10.188 ( 5.005 5.038 1.744) 7.313 10.399 ( -4.802 -0.305 1.980) 5.203 10.561 ( 3.179 4.466 -7.090) 8.962 10.879 ( 0.133 10.204 -3.888) 10.920 11.307 ( 6.674 1.898 1.233) 7.048 11.502 ( -10.890 4.970 5.300) 13.091 12.122 ( 7.183 -7.206 6.834) 12.257 12.400 ( -3.438 -5.489 -5.373) 8.415 12.796 ( 1.363 -1.977 -2.104) 3.193 12.990 ( 4.001 4.751 -3.011) 6.903 13.607 ( -7.367 -2.233 4.638) 8.987 14.026 ( -7.051 7.021 -2.910) 10.367 14.284 ( 8.830 9.105 1.094) 12.730 16.847 ( 1.780 -11.204 -12.553) 16.920 ======================= Grid point 401 (190/468) ======================= q-point: ( 0.18 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -0.319 0.000 3.578) 3.593 2.783 ( -0.540 0.000 10.632) 10.646 3.267 ( -6.149 0.000 -5.750) 8.418 3.498 ( -12.287 0.000 -18.277) 22.023 3.547 ( -0.839 0.000 -4.113) 4.198 4.469 ( -1.533 0.000 11.255) 11.359 4.731 ( 9.223 -0.000 6.616) 11.350 4.800 ( 0.362 -0.000 -4.387) 4.402 5.338 ( 5.033 -0.000 -12.258) 13.251 5.918 ( 12.688 -0.000 7.955) 14.975 6.147 ( -3.181 0.000 1.380) 3.468 6.361 ( 2.119 -0.000 -5.073) 5.498 6.478 ( 2.135 -0.000 -4.774) 5.230 6.562 ( 2.701 -0.000 -0.165) 2.706 7.607 ( -2.213 0.000 -4.257) 4.798 8.146 ( -15.173 0.000 -0.102) 15.173 8.529 ( 2.831 -0.000 -3.808) 4.745 8.897 ( -5.486 0.000 0.430) 5.503 9.137 ( -0.437 0.000 7.595) 7.607 9.669 ( -3.432 0.000 -5.895) 6.821 9.897 ( 6.242 -0.000 -0.819) 6.296 10.063 ( -0.028 0.000 5.066) 5.066 10.326 ( -4.040 0.000 9.344) 10.180 10.414 ( -0.373 0.000 5.369) 5.382 10.739 ( -1.118 0.000 -1.466) 1.844 10.824 ( 3.905 -0.000 8.540) 9.390 11.164 ( -6.253 0.000 2.972) 6.924 11.429 ( 0.495 -0.000 -6.020) 6.040 11.812 ( -2.675 0.000 5.176) 5.826 12.121 ( 6.988 -0.000 -6.866) 9.796 12.560 ( -0.507 0.000 -11.551) 11.562 12.959 ( -7.939 0.000 -0.577) 7.960 13.799 ( 8.401 -0.000 3.081) 8.948 14.021 ( 2.525 -0.000 12.100) 12.360 15.251 ( 7.122 -0.000 14.900) 16.515 16.048 ( 5.160 -0.000 -26.778) 27.271 ======================= Grid point 402 (191/468) ======================= q-point: (-0.73 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -1.256 5.698 3.672) 6.894 2.840 ( -8.245 1.530 7.469) 11.230 3.071 ( -11.010 1.666 -11.162) 15.767 3.206 ( -4.183 -11.983 -13.749) 18.712 3.496 ( 1.492 2.988 -0.723) 3.417 4.543 ( 2.422 -2.055 -6.435) 7.176 4.782 ( -0.624 2.001 6.384) 6.720 4.953 ( 4.525 -6.540 9.993) 12.772 5.270 ( 3.086 4.503 -3.480) 6.474 6.036 ( -1.397 6.155 -7.013) 9.435 6.111 ( 1.968 6.498 6.109) 9.133 6.371 ( 2.544 -7.321 -1.166) 7.837 6.480 ( 3.757 1.270 0.506) 3.998 6.596 ( 3.415 -2.842 -2.476) 5.087 7.580 ( 0.870 -3.259 -0.813) 3.469 7.946 ( -13.468 -1.167 -2.771) 13.800 8.526 ( 0.203 -1.030 -1.148) 1.556 8.779 ( -9.067 -0.654 -2.856) 9.528 9.208 ( 0.387 6.570 6.234) 9.065 9.560 ( -4.786 -2.570 -2.964) 6.189 9.905 ( 1.785 -0.382 -5.252) 5.560 10.105 ( -2.954 -0.184 3.297) 4.431 10.322 ( -4.680 8.508 2.689) 10.076 10.450 ( -2.745 0.930 5.433) 6.157 10.764 ( 0.700 0.305 -0.707) 1.041 10.889 ( -0.769 -6.866 1.344) 7.038 11.259 ( 6.164 -1.735 7.699) 10.014 11.347 ( 2.110 -2.731 -9.925) 10.508 11.946 ( 4.894 4.819 16.473) 17.847 12.062 ( 1.745 -0.935 -9.919) 10.115 12.591 ( 12.991 -2.837 0.447) 13.304 12.864 ( -5.366 -1.270 -1.580) 5.736 13.896 ( 4.251 3.144 1.035) 5.388 14.160 ( 0.479 -1.073 5.922) 6.038 15.464 ( 1.950 9.893 11.234) 15.096 15.823 ( 5.973 -8.765 -20.613) 23.182 ======================= Grid point 403 (192/468) ======================= q-point: (-0.64 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.439 ( -4.107 11.728 0.772) 12.451 2.649 ( -11.162 11.555 -4.578) 16.706 2.948 ( -11.513 -12.208 6.762) 18.092 3.122 ( -0.819 -12.151 -13.471) 18.160 3.552 ( 7.645 1.777 3.707) 8.680 4.456 ( -0.417 -9.965 -13.618) 16.879 4.855 ( 1.190 9.861 10.295) 14.305 5.169 ( 3.451 -2.156 6.508) 7.676 5.237 ( -1.812 7.103 5.612) 9.232 5.819 ( -8.945 4.358 -7.575) 12.506 6.062 ( -5.470 8.501 1.120) 10.170 6.476 ( 0.453 -10.423 2.071) 10.636 6.557 ( 5.643 0.814 2.381) 6.179 6.655 ( 7.018 -2.979 -2.649) 8.071 7.626 ( -0.462 -4.271 -2.932) 5.201 7.808 ( -6.262 -3.597 2.685) 7.705 8.518 ( -2.428 -1.741 0.235) 2.997 8.651 ( -6.920 -3.373 -3.248) 8.355 9.158 ( -2.932 11.591 1.686) 12.074 9.560 ( -1.587 -3.681 3.750) 5.489 9.819 ( -0.272 1.654 -9.150) 9.302 10.070 ( -8.928 -2.700 2.096) 9.560 10.233 ( 2.079 6.513 -1.421) 6.983 10.438 ( -4.601 -1.680 -0.457) 4.919 10.706 ( -3.184 5.538 2.095) 6.723 10.998 ( 3.115 -7.923 -1.306) 8.613 11.261 ( 1.330 -8.745 -11.767) 14.721 11.466 ( 10.073 2.906 4.986) 11.609 11.978 ( 4.603 -1.724 -6.566) 8.202 12.252 ( 8.960 6.455 19.639) 22.530 12.781 ( 6.794 1.330 -0.168) 6.925 12.907 ( 11.139 -4.821 7.488) 14.261 13.867 ( -1.094 4.952 -3.345) 6.075 14.186 ( -2.115 -1.330 -2.156) 3.300 15.337 ( 1.527 16.179 -9.428) 18.788 15.913 ( 1.077 -14.542 4.554) 15.276 ======================= Grid point 404 (193/468) ======================= q-point: (-0.55 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.193 ( -8.980 13.954 -6.771) 17.922 2.407 ( -10.727 17.309 6.207) 21.289 3.022 ( -4.470 -16.236 -4.774) 17.504 3.103 ( -2.639 -12.035 3.777) 12.887 3.708 ( 10.897 4.844 4.222) 12.650 4.429 ( 0.757 -17.686 -7.852) 19.366 4.843 ( -5.093 18.776 8.028) 21.046 5.135 ( 0.921 9.846 0.705) 9.914 5.320 ( -2.571 1.478 8.961) 9.439 5.608 ( -10.385 0.407 -1.127) 10.454 5.882 ( -11.959 6.340 -2.168) 13.708 6.596 ( -1.935 -9.591 1.644) 9.921 6.659 ( 5.706 -3.268 2.784) 7.141 6.725 ( 7.163 -0.238 -3.396) 7.931 7.537 ( -3.959 0.569 -3.208) 5.127 7.962 ( 4.536 -13.339 6.244) 15.411 8.496 ( -2.361 0.228 -0.457) 2.415 8.602 ( -3.509 -6.646 -0.613) 7.541 9.024 ( -6.270 8.689 1.100) 10.771 9.593 ( -5.420 3.312 4.701) 7.902 9.688 ( 1.094 -1.018 -9.034) 9.157 10.023 ( -6.663 -5.850 1.928) 9.073 10.226 ( 3.887 3.902 0.903) 5.581 10.394 ( 1.939 0.523 -3.779) 4.280 10.664 ( -4.228 1.603 2.406) 5.122 10.965 ( 1.105 -3.321 -13.953) 14.385 11.300 ( 3.765 -10.158 -1.161) 10.895 11.577 ( 10.162 6.267 0.150) 11.940 12.017 ( 4.429 -3.695 -2.475) 6.277 12.457 ( 1.675 4.807 8.912) 10.263 12.920 ( 16.840 5.609 4.792) 18.385 13.233 ( 14.445 -2.352 9.372) 17.379 13.716 ( -3.817 5.862 -6.695) 9.683 14.078 ( -4.278 -1.168 -9.463) 10.450 15.103 ( -0.334 14.822 -6.999) 16.395 16.104 ( -4.220 -13.976 8.540) 16.914 ======================= Grid point 405 (194/468) ======================= q-point: (-0.45 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -7.841 18.237 -2.114) 19.963 2.203 ( -10.703 20.420 8.556) 24.591 3.046 ( -1.773 -18.618 -5.976) 19.634 3.303 ( -2.646 -14.117 12.144) 18.808 3.746 ( 3.504 18.592 0.599) 18.929 4.612 ( 5.886 -15.409 4.351) 17.059 4.643 ( -8.312 5.267 -1.900) 10.021 5.114 ( 0.807 9.456 4.271) 10.407 5.319 ( -5.222 3.998 5.254) 8.417 5.568 ( -5.903 -1.016 9.139) 10.928 5.616 ( -14.083 6.886 -3.718) 16.111 6.606 ( -1.101 -1.700 -4.566) 4.995 6.725 ( 5.291 0.374 -4.172) 6.748 6.823 ( 1.644 -8.144 2.290) 8.618 7.505 ( 0.368 -0.411 1.975) 2.051 8.201 ( 4.156 -16.363 -1.326) 16.935 8.452 ( 1.567 5.693 -0.050) 5.905 8.648 ( -2.841 -10.776 0.724) 11.168 8.913 ( -7.551 2.176 4.388) 9.001 9.514 ( -2.455 2.443 -2.672) 4.374 9.651 ( -3.988 -0.754 5.405) 6.759 10.059 ( -0.105 -3.645 2.452) 4.394 10.280 ( 3.238 0.883 3.327) 4.726 10.377 ( 4.290 2.692 -3.361) 6.079 10.554 ( -4.910 2.085 -10.012) 11.344 10.901 ( 6.372 -3.835 -4.913) 8.913 11.412 ( 1.306 -3.472 2.717) 4.599 11.656 ( 10.621 -0.047 -2.930) 11.018 12.042 ( 1.772 -1.718 -3.824) 4.551 12.475 ( 0.574 5.155 -1.481) 5.394 13.090 ( 11.127 6.136 -3.761) 13.252 13.416 ( 5.776 3.204 -1.556) 6.786 13.607 ( 4.190 6.583 -2.671) 8.248 13.945 ( 0.873 -2.070 -3.820) 4.431 14.909 ( -3.707 14.192 0.056) 14.669 16.252 ( -8.153 -15.151 7.777) 18.881 ======================= Grid point 406 (195/468) ======================= q-point: (-0.36 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -2.380 22.856 5.878) 23.719 2.026 ( -9.750 20.071 12.389) 25.522 3.158 ( -0.459 -18.063 0.421) 18.074 3.498 ( -5.585 20.252 6.279) 21.926 3.568 ( -5.251 -9.925 7.200) 13.338 4.490 ( -2.569 1.100 -4.033) 4.907 4.947 ( 5.935 -14.483 5.987) 16.758 5.041 ( -3.239 6.249 1.005) 7.110 5.338 ( -3.304 -1.114 2.720) 4.422 5.368 ( -6.885 6.173 2.658) 9.622 5.655 ( -4.175 1.637 13.024) 13.774 6.530 ( 1.167 2.540 -3.950) 4.839 6.727 ( 4.324 -1.740 -6.811) 8.254 6.872 ( -0.733 -3.117 -4.170) 5.258 7.582 ( 0.587 -1.773 6.806) 7.058 8.239 ( 0.152 -6.266 -8.911) 10.895 8.492 ( 4.904 -0.192 2.095) 5.336 8.673 ( -5.752 -10.110 -3.261) 12.080 8.938 ( -4.057 -4.029 8.642) 10.363 9.457 ( 0.058 -2.872 -3.256) 4.342 9.755 ( -2.498 0.241 14.998) 15.206 10.116 ( 1.181 -2.043 1.203) 2.649 10.245 ( -6.797 4.956 -9.405) 12.618 10.345 ( 3.001 3.188 0.721) 4.437 10.463 ( 8.099 -0.220 -1.705) 8.279 11.013 ( 8.247 -3.807 0.158) 9.085 11.459 ( -1.352 0.246 4.242) 4.459 11.760 ( 6.162 -6.716 -4.249) 10.057 11.997 ( 6.667 4.965 -10.072) 13.059 12.318 ( -4.810 6.775 -9.193) 12.391 13.028 ( 2.656 2.076 -8.339) 8.994 13.321 ( 0.538 5.569 -15.625) 16.597 13.590 ( 2.706 3.473 4.146) 6.048 14.040 ( 8.723 2.516 1.924) 9.280 14.779 ( -3.803 15.122 6.523) 16.902 16.366 ( -8.306 -17.775 5.327) 20.331 ======================= Grid point 407 (196/468) ======================= q-point: (-0.27 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 3.904 22.558 13.974) 26.821 1.949 ( -6.690 17.058 17.626) 25.424 3.198 ( -7.580 26.513 10.747) 29.595 3.389 ( 3.820 -15.642 0.236) 16.104 3.758 ( -9.814 -21.479 7.688) 24.834 4.442 ( 1.390 -2.097 -3.147) 4.029 4.830 ( -3.378 12.441 -5.235) 13.914 5.203 ( 0.510 -1.045 0.180) 1.177 5.277 ( -4.993 -12.064 5.956) 14.350 5.474 ( 2.785 -1.003 8.094) 8.618 5.734 ( -3.236 4.290 10.694) 11.968 6.554 ( 10.095 1.296 -0.299) 10.182 6.684 ( 0.876 -2.038 -8.291) 8.583 6.765 ( -2.301 3.447 -7.357) 8.444 7.689 ( -3.591 -2.209 9.445) 10.343 8.184 ( 1.848 -1.499 -5.933) 6.393 8.565 ( 1.900 -3.977 -4.755) 6.484 8.632 ( -2.971 -8.206 -1.718) 8.895 9.063 ( -1.134 -4.882 10.026) 11.209 9.485 ( 3.197 -7.192 -3.492) 8.610 9.847 ( -4.708 4.814 7.506) 10.084 9.981 ( -8.843 3.711 -5.642) 11.127 10.195 ( 3.290 1.062 3.804) 5.140 10.385 ( 2.421 0.985 2.222) 3.431 10.550 ( 6.721 -0.654 -1.988) 7.039 11.129 ( 6.135 -1.102 -0.202) 6.236 11.464 ( -7.184 2.514 -1.583) 7.774 11.705 ( -0.319 0.093 -9.964) 9.970 11.920 ( 12.704 10.466 -5.554) 17.372 12.196 ( -2.188 -7.015 -0.763) 7.388 12.925 ( -4.321 1.193 -6.630) 8.003 13.103 ( 5.350 2.280 -14.937) 16.029 13.633 ( -1.160 3.519 4.398) 5.750 14.105 ( 3.937 3.133 0.908) 5.112 14.680 ( -2.794 17.985 4.688) 18.794 16.491 ( -3.119 -19.482 0.231) 19.731 ======================= Grid point 408 (197/468) ======================= q-point: (-0.18 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 8.193 13.809 19.421) 25.199 2.005 ( -2.699 11.994 20.182) 23.631 3.065 ( 1.423 24.315 11.327) 26.861 3.617 ( 3.893 -17.075 3.652) 17.890 3.855 ( -12.292 -17.253 3.751) 21.513 4.484 ( 2.323 -6.605 -0.208) 7.005 4.621 ( -0.740 12.264 -6.889) 14.086 5.126 ( -0.801 7.966 -4.499) 9.183 5.419 ( -6.563 -19.171 2.582) 20.428 5.621 ( 4.485 -1.302 7.037) 8.445 5.774 ( -2.101 7.796 9.673) 12.599 6.520 ( -5.549 5.343 -7.355) 10.651 6.645 ( 4.814 -0.479 -9.503) 10.663 6.736 ( 11.099 1.511 1.308) 11.278 7.758 ( -7.676 -3.776 9.843) 13.040 8.173 ( 2.346 2.243 0.464) 3.279 8.501 ( -3.553 -8.899 -7.663) 12.269 8.707 ( 6.018 -1.774 -0.476) 6.293 9.206 ( -3.663 -8.218 5.314) 10.449 9.529 ( 6.603 -0.282 -5.448) 8.565 9.760 ( -6.950 2.343 -0.879) 7.387 9.870 ( -2.221 0.806 3.295) 4.054 10.266 ( 3.151 3.141 3.086) 5.415 10.405 ( -3.689 0.758 2.748) 4.662 10.581 ( 4.828 -0.415 -5.297) 7.179 11.096 ( -1.627 12.814 -8.679) 15.562 11.275 ( -8.886 -4.326 5.748) 11.433 11.640 ( 1.650 6.461 -4.356) 7.965 12.009 ( 9.108 -3.170 -0.412) 9.653 12.262 ( -0.271 -9.184 -0.775) 9.220 12.792 ( -1.525 0.458 -3.007) 3.403 13.043 ( 7.303 1.574 -6.385) 9.827 13.605 ( -5.505 2.149 2.104) 6.273 14.115 ( -2.812 3.612 1.772) 4.909 14.522 ( 0.846 17.443 -0.017) 17.463 16.599 ( 2.046 -16.719 -7.783) 18.555 ======================= Grid point 409 (198/468) ======================= q-point: (-0.09 0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 7.426 4.266 18.266) 20.174 2.168 ( 0.919 6.124 19.404) 20.368 3.104 ( 10.186 16.470 10.471) 22.015 3.802 ( -6.681 -14.071 -0.024) 15.576 3.900 ( -1.083 -9.031 6.081) 10.941 4.434 ( -0.068 9.852 -6.566) 11.839 4.589 ( 2.196 -9.620 0.280) 9.872 4.945 ( -2.407 13.211 -5.851) 14.648 5.485 ( -3.062 -16.960 -6.781) 18.520 5.755 ( -0.652 5.735 5.327) 7.854 5.820 ( 1.409 -1.833 9.010) 9.302 6.334 ( -1.985 4.672 -5.361) 7.383 6.585 ( 3.416 -1.544 -9.285) 10.014 6.809 ( 5.628 7.910 -1.543) 9.830 7.831 ( -5.201 -7.707 5.744) 10.929 8.219 ( 1.797 4.921 7.441) 9.100 8.475 ( -2.614 -6.565 0.463) 7.081 8.762 ( 5.419 -0.412 -4.721) 7.199 9.174 ( -10.688 -3.758 -1.399) 11.416 9.541 ( 8.957 5.483 -3.791) 11.166 9.730 ( 2.963 -5.146 -1.779) 6.199 9.950 ( 2.228 -5.474 4.041) 7.160 10.273 ( -2.000 3.758 -0.906) 4.352 10.373 ( -3.818 2.884 5.708) 7.448 10.549 ( -1.302 1.873 -1.768) 2.886 10.899 ( -4.067 6.917 -0.162) 8.025 11.326 ( -7.249 -6.268 7.658) 12.267 11.528 ( -0.430 8.168 -3.505) 8.899 12.058 ( -0.502 -6.873 -8.074) 10.614 12.294 ( 3.190 -4.144 -6.979) 8.722 12.846 ( 3.348 -1.422 6.824) 7.733 13.089 ( 6.598 2.806 2.415) 7.566 13.533 ( -6.551 -0.477 0.741) 6.610 13.941 ( -11.730 10.295 -3.318) 15.956 14.518 ( 11.291 7.213 3.662) 13.890 16.613 ( 3.996 -10.920 -15.309) 19.224 ======================= Grid point 413 (199/468) ======================= q-point: ( 0.27 -0.73 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( 1.698 -0.000 -4.060) 4.400 2.780 ( -17.976 0.000 10.622) 20.880 2.794 ( -10.622 0.000 -4.252) 11.441 3.010 ( 4.303 -0.000 -13.665) 14.326 3.564 ( 5.620 -0.000 3.593) 6.671 4.356 ( -1.900 0.000 -16.722) 16.829 4.983 ( 1.445 -0.000 17.262) 17.322 5.096 ( 4.465 -0.000 8.750) 9.824 5.326 ( -0.179 0.000 5.566) 5.568 5.848 ( -9.696 0.000 -10.925) 14.607 6.243 ( -6.125 0.000 -6.151) 8.680 6.281 ( 0.302 -0.000 4.666) 4.675 6.570 ( 5.071 -0.000 2.634) 5.715 6.622 ( 7.652 -0.000 -1.594) 7.816 7.587 ( 1.102 -0.000 2.025) 2.306 7.781 ( -9.128 0.000 -0.351) 9.135 8.504 ( -1.400 0.000 -0.276) 1.427 8.611 ( -8.946 0.000 -3.521) 9.614 9.355 ( 1.938 -0.000 6.875) 7.143 9.433 ( -4.910 0.000 -2.858) 5.681 9.834 ( 0.811 -0.000 -8.657) 8.695 10.053 ( -11.632 0.000 3.297) 12.090 10.326 ( -0.444 0.000 -2.705) 2.741 10.393 ( -4.878 0.000 0.040) 4.878 10.771 ( -9.024 0.000 1.244) 9.109 10.907 ( 11.268 -0.000 1.362) 11.350 11.184 ( 1.676 -0.000 -15.092) 15.184 11.490 ( 9.969 -0.000 9.052) 13.465 11.965 ( 5.484 -0.000 -9.363) 10.851 12.310 ( 7.653 -0.000 19.479) 20.928 12.821 ( 3.696 -0.000 0.513) 3.731 12.836 ( 16.888 -0.000 7.755) 18.584 13.915 ( -1.561 0.000 -3.002) 3.383 14.168 ( -1.639 0.000 -2.735) 3.188 15.534 ( 5.529 -0.000 -23.592) 24.232 15.731 ( -3.428 0.000 18.729) 19.040 ======================= Grid point 415 (200/468) ======================= q-point: (-0.64 0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -5.511 6.334 -10.512) 13.453 2.652 ( -13.742 8.593 11.055) 19.619 2.828 ( 1.417 -3.952 -3.001) 5.161 2.937 ( -0.322 -7.791 -1.093) 7.874 3.733 ( 10.290 -0.004 6.585) 12.216 4.166 ( -2.216 -9.822 -13.732) 17.028 5.150 ( 2.466 12.604 14.230) 19.169 5.285 ( 2.378 -2.670 8.944) 9.632 5.346 ( -5.960 10.926 6.453) 14.020 5.583 ( -11.267 -3.739 -7.686) 14.142 5.992 ( -12.177 6.361 -5.755) 14.895 6.349 ( -8.658 -13.406 4.079) 16.472 6.660 ( 6.839 0.570 0.355) 6.872 6.725 ( 9.701 -0.042 -1.417) 9.804 7.592 ( -2.192 5.446 0.373) 5.882 7.758 ( -1.275 -9.889 2.891) 10.382 8.483 ( -3.473 -0.433 0.775) 3.585 8.508 ( -4.307 -3.658 -0.742) 5.699 9.251 ( -3.231 15.491 -0.120) 15.825 9.527 ( -0.145 -11.389 2.691) 11.704 9.698 ( -3.124 1.855 -8.499) 9.243 9.937 ( -11.428 -2.451 2.250) 11.902 10.299 ( 3.171 3.079 -0.804) 4.492 10.393 ( 3.257 -0.397 -0.193) 3.286 10.684 ( -6.740 0.626 2.085) 7.083 10.918 ( 1.720 -1.936 -16.128) 16.335 11.164 ( 9.600 -4.324 -0.539) 10.542 11.665 ( 4.047 2.969 5.576) 7.503 11.972 ( 9.524 -1.469 -6.287) 11.507 12.499 ( -0.011 0.869 5.574) 5.641 13.023 ( 18.991 5.276 7.935) 21.247 13.175 ( 15.597 -3.680 10.000) 18.890 13.800 ( -3.717 3.264 -5.503) 7.399 14.050 ( -4.216 -1.513 -11.113) 11.982 15.303 ( 2.805 7.343 -15.018) 16.951 15.916 ( -7.810 -6.859 15.904) 18.999 ======================= Grid point 416 (201/468) ======================= q-point: (-0.55 0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.149 ( -3.757 11.937 -2.988) 12.866 2.535 ( -11.351 16.363 11.017) 22.759 2.781 ( 1.849 -10.641 -10.050) 14.753 3.100 ( -0.658 -9.310 10.091) 13.745 3.887 ( 8.158 1.914 -3.943) 9.261 4.224 ( 5.332 -20.585 2.214) 21.379 5.000 ( -11.863 23.546 -2.844) 26.519 5.268 ( 0.165 8.164 6.913) 10.699 5.369 ( -8.303 1.717 5.617) 10.170 5.534 ( -3.359 -2.821 8.142) 9.248 5.733 ( -12.612 7.093 -1.193) 14.519 6.423 ( -9.049 -17.391 4.437) 20.100 6.738 ( 6.928 0.124 -1.950) 7.198 6.785 ( 6.911 2.787 -3.953) 8.435 7.528 ( -0.840 3.796 1.555) 4.188 7.906 ( 0.539 -17.113 -0.328) 17.125 8.470 ( -1.716 -2.053 1.092) 2.890 8.520 ( -2.679 -4.279 3.125) 5.937 9.071 ( -4.177 14.717 0.478) 15.306 9.546 ( -1.980 -1.180 -7.580) 7.923 9.630 ( -2.475 -1.639 6.885) 7.498 9.920 ( -5.389 -8.568 4.352) 11.018 10.329 ( 3.276 2.682 3.041) 5.213 10.428 ( 4.765 2.930 -2.345) 6.066 10.602 ( -1.820 3.669 -8.416) 9.360 10.808 ( 4.118 -6.826 -6.301) 10.162 11.327 ( 8.323 -4.179 1.130) 9.381 11.691 ( -1.615 2.176 1.033) 2.900 12.032 ( 9.943 0.205 -5.431) 11.331 12.522 ( 0.732 1.074 -1.226) 1.787 13.192 ( 9.052 5.108 -7.820) 13.007 13.447 ( 9.506 0.581 4.181) 10.401 13.715 ( 1.447 5.954 -6.892) 9.222 13.898 ( 3.271 -3.354 -1.996) 5.093 15.117 ( -0.446 9.505 -5.115) 10.803 16.039 ( -11.289 -9.344 11.868) 18.857 ======================= Grid point 417 (202/468) ======================= q-point: (-0.45 0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( 0.785 17.625 4.650) 18.245 2.373 ( -9.106 19.739 9.773) 23.834 2.853 ( 1.904 -16.206 -1.141) 16.357 3.282 ( -4.576 -12.397 8.795) 15.874 3.830 ( 2.663 5.414 -10.293) 11.931 4.572 ( 5.098 -7.951 6.763) 11.617 4.669 ( -5.515 3.785 1.637) 6.887 5.172 ( -8.293 5.571 -0.292) 9.994 5.336 ( -4.684 1.230 -1.265) 5.006 5.515 ( -8.153 10.275 9.654) 16.287 5.690 ( -0.595 2.925 12.928) 13.268 6.502 ( -2.863 -8.763 1.469) 9.335 6.724 ( 3.543 2.205 -7.249) 8.364 6.813 ( 3.804 -2.026 -3.254) 5.400 7.558 ( -0.312 -0.694 5.554) 5.606 8.002 ( -1.210 -17.584 -7.728) 19.245 8.491 ( -0.951 -2.802 1.291) 3.228 8.576 ( -0.941 -3.066 3.076) 4.444 8.948 ( -4.018 8.375 5.296) 10.693 9.465 ( 0.766 1.495 -3.475) 3.860 9.749 ( -0.459 -1.172 13.548) 13.607 9.994 ( -3.778 -9.501 1.683) 10.362 10.351 ( -3.389 5.933 -5.099) 8.526 10.405 ( 1.738 3.231 1.780) 4.078 10.470 ( 8.103 0.732 -5.705) 9.937 10.930 ( 8.408 -5.458 0.706) 10.048 11.446 ( 2.291 -1.486 2.157) 3.480 11.652 ( -2.285 -4.971 -3.279) 6.379 12.078 ( 12.225 4.472 -6.017) 14.341 12.415 ( -4.322 3.924 -10.543) 12.052 13.069 ( 3.863 2.527 -12.572) 13.392 13.386 ( -1.880 2.099 -20.711) 20.901 13.652 ( 2.954 3.656 6.865) 8.320 14.077 ( 10.512 1.709 3.047) 11.077 15.021 ( 0.252 12.584 5.082) 13.573 16.102 ( -11.709 -12.985 6.977) 18.825 ======================= Grid point 418 (203/468) ======================= q-point: (-0.36 0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.973 ( 4.071 20.579 9.575) 23.060 2.250 ( -7.424 17.750 13.544) 23.530 3.056 ( 3.453 -17.228 4.641) 18.174 3.411 ( -10.256 -17.971 6.266) 21.619 3.626 ( -0.619 14.761 -7.878) 16.743 4.484 ( 1.072 8.086 0.700) 8.187 4.919 ( -8.321 -16.656 3.714) 18.985 5.052 ( 1.748 6.834 1.913) 7.308 5.213 ( -1.012 -0.553 -4.194) 4.350 5.550 ( -0.636 7.616 12.658) 14.786 5.812 ( -0.220 4.386 11.627) 12.429 6.562 ( 5.853 -1.883 -0.311) 6.156 6.654 ( 1.519 -1.000 -8.218) 8.417 6.787 ( -1.308 -0.391 -5.221) 5.397 7.642 ( -4.595 -3.074 8.902) 10.479 8.014 ( 1.274 -14.859 -10.636) 18.317 8.523 ( -1.463 -4.341 0.283) 4.590 8.598 ( 1.068 3.512 2.188) 4.274 8.974 ( -3.068 -2.454 8.788) 9.626 9.461 ( 4.937 2.737 0.129) 5.646 9.883 ( -7.504 0.581 7.254) 10.453 10.018 ( -1.247 -3.565 0.990) 3.905 10.204 ( -0.449 3.158 -2.568) 4.095 10.415 ( 2.187 1.758 0.240) 2.816 10.560 ( 6.000 1.504 2.063) 6.521 11.075 ( 5.141 -4.482 0.930) 6.884 11.463 ( -5.039 -1.825 2.929) 6.108 11.631 ( -0.290 -6.308 -9.572) 11.467 12.110 ( 13.125 8.032 -5.635) 16.387 12.158 ( -3.277 3.012 -11.292) 12.137 12.944 ( -1.732 1.370 -10.146) 10.384 13.119 ( 4.031 -0.366 -17.894) 18.346 13.711 ( -0.495 5.269 4.919) 7.225 14.150 ( 2.249 1.899 0.540) 2.992 14.985 ( -0.007 17.462 6.142) 18.510 16.176 ( -5.356 -17.260 2.122) 18.197 ======================= Grid point 419 (204/468) ======================= q-point: (-0.27 0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( 4.857 17.293 13.376) 22.396 2.224 ( -5.161 13.579 15.983) 21.598 3.322 ( 3.952 -14.444 6.322) 16.255 3.414 ( -1.256 6.910 -3.893) 8.030 3.533 ( -7.051 -14.062 7.480) 17.419 4.487 ( 5.310 6.417 1.745) 8.510 4.791 ( -5.301 4.943 -7.072) 10.127 5.100 ( -4.357 -11.480 0.428) 12.286 5.242 ( 3.441 3.129 0.465) 4.674 5.647 ( 2.448 3.710 8.753) 9.817 5.893 ( -0.775 5.894 9.111) 10.879 6.562 ( -1.640 0.607 -6.817) 7.037 6.647 ( 3.740 -0.317 -8.462) 9.257 6.728 ( 6.185 -2.123 0.825) 6.591 7.686 ( -10.327 -4.619 7.942) 13.822 8.064 ( 6.592 -11.771 -6.761) 15.090 8.495 ( -3.209 4.405 1.955) 5.790 8.663 ( 5.066 -2.255 1.353) 5.708 9.080 ( -3.301 -6.240 6.384) 9.518 9.535 ( 8.464 2.580 0.977) 8.902 9.770 ( -11.096 -0.207 -0.456) 11.108 9.976 ( -0.666 8.548 -1.232) 8.661 10.257 ( 1.300 -4.382 4.426) 6.363 10.422 ( -3.554 1.115 3.067) 4.825 10.601 ( 4.946 3.347 -3.143) 6.749 11.152 ( -2.758 -6.053 2.764) 7.203 11.319 ( -9.227 9.240 -7.737) 15.178 11.585 ( -2.895 -10.482 -2.116) 11.078 12.066 ( 4.514 1.509 -6.844) 8.336 12.156 ( 12.296 2.630 -3.923) 13.172 12.793 ( -2.400 -0.230 -4.351) 4.974 13.047 ( 8.921 -1.068 -9.939) 13.398 13.673 ( -4.546 5.349 1.703) 7.223 14.158 ( -2.325 1.441 3.119) 4.148 14.839 ( -3.299 18.899 0.037) 19.185 16.305 ( 2.844 -17.194 -3.960) 17.872 ======================= Grid point 420 (205/468) ======================= q-point: (-0.18 0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 4.799 10.065 15.078) 18.754 2.282 ( -2.989 7.372 15.430) 17.360 3.297 ( -0.934 2.833 -1.769) 3.468 3.570 ( 2.837 -11.811 3.410) 12.617 3.734 ( 1.659 -10.687 12.757) 16.724 4.526 ( 4.849 5.451 1.785) 7.511 4.588 ( -1.397 6.596 -10.084) 12.131 5.158 ( 3.379 -2.651 -4.473) 6.201 5.191 ( -4.907 -1.167 -0.755) 5.100 5.767 ( 5.189 -0.718 4.748) 7.070 5.903 ( -4.464 6.733 5.775) 9.930 6.428 ( -2.242 5.552 -5.248) 7.962 6.558 ( 0.977 -1.472 -8.164) 8.353 6.853 ( 5.994 -2.850 -2.918) 7.251 7.710 ( -4.773 -6.079 5.552) 9.516 8.197 ( 6.285 -7.549 1.063) 9.880 8.466 ( -1.808 5.841 6.374) 8.832 8.742 ( 3.439 -2.050 -1.739) 4.365 9.110 ( -6.188 -3.308 1.148) 7.110 9.619 ( 9.556 3.519 -2.619) 10.514 9.663 ( -4.343 -2.759 -2.089) 5.553 9.919 ( 0.758 2.393 1.869) 3.130 10.326 ( -4.134 1.647 1.252) 4.622 10.396 ( -5.414 -1.072 7.817) 9.569 10.567 ( 2.366 2.258 -4.309) 5.410 11.047 ( -11.965 8.792 1.546) 14.929 11.204 ( -3.017 -6.735 1.759) 7.586 11.575 ( -4.053 -4.965 -4.121) 7.620 12.004 ( -1.803 0.096 -4.976) 5.293 12.234 ( 12.926 -0.462 -9.467) 16.028 12.824 ( 3.555 -1.589 5.333) 6.603 13.103 ( 8.843 -1.108 -0.369) 8.920 13.567 ( -5.871 4.216 -0.621) 7.255 14.087 ( -11.026 6.333 0.982) 12.754 14.681 ( 4.090 11.453 -0.461) 12.170 16.403 ( 6.266 -12.900 -11.136) 18.157 ======================= Grid point 421 (206/468) ======================= q-point: (-0.09 0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 4.763 5.137 10.290) 12.448 2.398 ( -3.112 -0.173 14.755) 15.080 3.289 ( -1.788 -5.312 1.076) 5.707 3.679 ( -0.413 -2.161 0.597) 2.280 3.996 ( 4.741 -0.775 9.563) 10.702 4.412 ( 2.060 4.989 -6.887) 8.750 4.581 ( 5.963 -2.071 -1.612) 6.515 5.001 ( -1.558 17.551 -2.333) 17.774 5.251 ( 2.019 -15.611 -7.104) 17.269 5.804 ( -5.193 7.342 -0.258) 8.997 5.909 ( 4.701 -4.753 3.069) 7.356 6.325 ( 1.045 5.174 -1.742) 5.559 6.496 ( 0.871 -2.322 -6.411) 6.874 6.835 ( -0.808 0.148 -5.044) 5.111 7.778 ( 0.083 -1.566 1.412) 2.110 8.354 ( 3.558 -2.799 5.754) 7.321 8.515 ( -0.821 1.521 8.943) 9.108 8.714 ( -1.010 -0.170 -6.630) 6.709 9.080 ( -2.835 -0.889 3.948) 4.941 9.618 ( 8.088 1.434 -8.292) 11.672 9.680 ( 1.617 -5.609 -1.992) 6.168 9.992 ( 2.763 -4.436 2.996) 6.024 10.200 ( -12.289 3.078 3.444) 13.128 10.490 ( -1.301 -1.549 6.839) 7.132 10.527 ( -1.919 4.912 3.999) 6.619 10.916 ( -5.571 5.926 4.628) 9.358 11.237 ( -3.891 -9.279 -0.721) 10.087 11.495 ( -4.601 2.439 -0.227) 5.212 11.903 ( -6.437 -2.971 -4.316) 8.300 12.233 ( 10.262 1.553 -12.740) 16.432 12.944 ( 4.381 -0.521 -0.123) 4.413 13.237 ( 0.925 2.556 8.184) 8.624 13.485 ( -2.236 0.216 1.347) 2.619 13.845 ( -9.447 8.265 -1.960) 12.704 14.752 ( 9.763 2.430 4.826) 11.159 16.394 ( 6.894 -7.297 -17.258) 19.965 ======================= Grid point 426 (207/468) ======================= q-point: ( 0.36 -0.64 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -2.744 0.000 -2.472) 3.693 2.609 ( -8.853 0.000 4.696) 10.021 2.786 ( -3.132 0.000 -4.625) 5.585 2.997 ( 4.952 -0.000 8.438) 9.784 3.932 ( -0.993 0.000 -11.676) 11.718 3.988 ( 12.363 -0.000 10.695) 16.347 5.235 ( -12.676 0.000 -12.989) 18.149 5.360 ( -0.789 0.000 6.939) 6.984 5.380 ( -6.915 0.000 5.039) 8.557 5.497 ( -1.604 0.000 10.480) 10.602 5.837 ( -7.326 0.000 4.532) 8.615 6.197 ( -15.489 0.000 7.955) 17.412 6.741 ( 7.646 -0.000 -2.492) 8.042 6.818 ( 7.080 -0.000 -2.689) 7.574 7.643 ( -0.522 0.000 0.354) 0.631 7.667 ( -2.049 0.000 -0.686) 2.161 8.448 ( -2.267 0.000 2.325) 3.247 8.483 ( -3.261 0.000 3.600) 4.857 9.293 ( -0.897 0.000 -2.835) 2.974 9.437 ( -2.028 0.000 -3.708) 4.227 9.627 ( -2.257 0.000 3.159) 3.882 9.846 ( -8.108 0.000 5.813) 9.976 10.351 ( 3.005 -0.000 2.243) 3.750 10.457 ( 2.792 -0.000 -0.813) 2.908 10.688 ( 3.404 -0.000 3.941) 5.208 10.688 ( 1.296 -0.000 -19.173) 19.217 11.291 ( 10.595 -0.000 0.722) 10.619 11.710 ( -7.201 0.000 2.993) 7.799 12.036 ( 14.488 -0.000 -6.990) 16.085 12.529 ( 0.738 -0.000 -0.922) 1.181 13.241 ( 6.853 -0.000 -10.596) 12.619 13.448 ( 12.149 -0.000 7.896) 14.490 13.788 ( -6.720 0.000 -17.148) 18.418 13.848 ( 11.235 -0.000 7.167) 13.326 15.205 ( 1.931 -0.000 -8.647) 8.860 15.954 ( -13.591 0.000 14.980) 20.226 ======================= Grid point 428 (208/468) ======================= q-point: (-0.55 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 1.960 8.562 5.980) 10.626 2.620 ( -6.331 -3.873 9.018) 11.680 2.660 ( -1.876 5.701 -4.217) 7.335 3.139 ( -1.239 -4.420 5.559) 7.209 3.816 ( 1.877 -2.625 -10.203) 10.702 4.328 ( 10.116 -9.521 12.418) 18.633 4.899 ( -8.511 9.714 -10.161) 16.433 5.210 ( -8.918 -0.127 -6.315) 10.928 5.376 ( -4.112 2.137 1.570) 4.893 5.626 ( -4.006 1.505 13.261) 13.934 5.853 ( -2.416 16.510 15.232) 22.593 6.249 ( -8.161 -18.018 10.129) 22.223 6.771 ( 4.492 1.865 -6.009) 7.731 6.808 ( 3.194 0.737 -6.223) 7.034 7.580 ( -0.692 4.063 1.746) 4.476 7.726 ( -0.578 -13.064 -3.876) 13.639 8.461 ( -2.364 -0.182 3.106) 3.908 8.511 ( -2.845 -3.343 4.911) 6.587 9.178 ( 0.528 15.323 -0.350) 15.336 9.430 ( 0.294 -7.413 -2.591) 7.858 9.708 ( 0.841 -2.539 8.882) 9.276 9.874 ( -6.319 -3.146 8.689) 11.195 10.423 ( -2.889 2.129 -2.107) 4.162 10.441 ( 2.247 0.908 5.388) 5.908 10.486 ( 4.786 0.949 -13.901) 14.732 10.852 ( 11.134 -2.815 1.616) 11.598 11.423 ( 8.787 -0.884 -0.298) 8.837 11.598 ( -12.094 -1.441 -0.589) 12.194 12.136 ( 16.429 1.923 -7.163) 18.025 12.454 ( -4.999 0.901 -8.389) 9.807 13.104 ( 4.248 1.244 -14.511) 15.171 13.403 ( -3.979 0.274 -23.492) 23.828 13.701 ( 3.985 1.659 8.502) 9.536 14.096 ( 11.294 0.572 3.187) 11.749 15.183 ( 5.635 5.550 2.641) 8.339 15.938 ( -16.546 -5.512 9.144) 19.692 ======================= Grid point 429 (209/468) ======================= q-point: (-0.45 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 5.858 15.659 7.413) 18.288 2.522 ( -9.814 12.553 10.280) 18.962 2.788 ( 4.639 -13.583 4.532) 15.052 3.174 ( -9.851 -9.305 2.813) 13.840 3.724 ( 1.877 -0.329 -11.256) 11.416 4.562 ( -12.378 -10.126 3.417) 16.353 4.748 ( 11.678 8.031 2.505) 14.393 5.119 ( 4.450 -1.332 -2.293) 5.180 5.267 ( -4.179 6.618 -2.824) 8.321 5.688 ( -6.943 6.644 14.713) 17.574 5.913 ( 1.232 9.686 12.288) 15.694 6.438 ( -0.824 -12.549 5.998) 13.933 6.666 ( 1.033 2.098 -9.221) 9.513 6.770 ( 0.846 -1.542 -6.883) 7.104 7.596 ( -4.214 -2.002 5.446) 7.171 7.777 ( 2.784 -11.038 -5.337) 12.573 8.474 ( -1.070 -1.320 2.093) 2.696 8.578 ( -2.393 -4.629 4.989) 7.214 9.081 ( 0.711 13.465 3.689) 13.979 9.491 ( 4.255 -1.973 1.104) 4.819 9.885 ( -8.715 -0.575 4.257) 9.717 9.897 ( 2.330 -6.687 9.792) 12.084 10.292 ( -1.717 5.592 -4.620) 7.454 10.424 ( 1.524 -1.057 -2.454) 3.076 10.586 ( 4.491 1.230 7.408) 8.750 11.002 ( 7.607 -3.373 -1.744) 8.503 11.419 ( -11.848 -2.788 0.031) 12.172 11.542 ( 6.352 -3.477 -5.709) 9.221 12.186 ( -6.988 3.284 -7.092) 10.484 12.245 ( 14.974 3.702 -11.800) 19.421 12.978 ( 1.551 2.679 -13.773) 14.117 13.093 ( 2.070 -2.471 -19.253) 19.521 13.797 ( 0.261 4.221 5.553) 6.980 14.168 ( 0.799 0.312 -0.530) 1.008 15.263 ( 5.794 14.551 6.638) 17.011 15.906 ( -10.536 -13.990 2.875) 17.748 ======================= Grid point 430 (210/468) ======================= q-point: (-0.36 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.286 ( 1.528 14.499 7.113) 16.222 2.464 ( -4.907 14.174 12.193) 19.330 3.067 ( 6.762 -14.138 8.625) 17.889 3.169 ( -12.747 -16.423 3.174) 21.030 3.604 ( 3.275 4.220 -8.538) 10.071 4.517 ( -8.103 -9.989 0.547) 12.874 4.821 ( 5.859 9.413 0.521) 11.100 5.133 ( -0.420 9.980 -1.134) 10.053 5.257 ( 10.582 -1.452 0.747) 10.708 5.727 ( -3.684 4.686 9.974) 11.619 5.986 ( 0.127 5.876 7.833) 9.793 6.571 ( 0.834 0.338 -5.137) 5.215 6.587 ( 5.554 -7.421 -2.071) 9.497 6.682 ( -2.968 -2.697 -6.438) 7.585 7.612 ( -7.393 -3.528 5.017) 9.606 7.877 ( 6.772 -8.925 -1.598) 11.317 8.517 ( 0.968 -1.470 2.772) 3.283 8.643 ( -1.472 -2.193 4.523) 5.238 9.063 ( 0.708 6.414 5.173) 8.271 9.588 ( 6.390 1.055 2.450) 6.924 9.773 ( -10.628 1.011 -0.194) 10.678 10.074 ( 0.527 -0.610 5.088) 5.152 10.191 ( -0.913 1.555 -0.506) 1.873 10.434 ( -2.873 -0.038 2.924) 4.099 10.677 ( 3.865 4.770 1.395) 6.296 11.043 ( -4.311 -6.009 -0.591) 7.419 11.343 ( -8.630 -10.317 -0.210) 13.452 11.486 ( 1.083 4.064 -10.677) 11.476 12.009 ( -3.708 -3.343 -4.394) 6.650 12.302 ( 18.745 8.422 -9.069) 22.462 12.796 ( -1.430 0.945 -6.964) 7.171 13.010 ( 9.299 -3.073 -13.047) 16.314 13.773 ( -4.098 5.991 2.037) 7.539 14.164 ( -3.282 -0.773 3.032) 4.535 15.151 ( -6.727 17.303 -0.449) 18.570 16.024 ( 5.094 -15.567 -1.148) 16.419 ======================= Grid point 431 (211/468) ======================= q-point: (-0.27 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( -3.073 7.066 10.935) 13.377 2.442 ( -1.217 12.004 8.539) 14.781 3.179 ( -10.094 -13.033 0.236) 16.486 3.388 ( 5.463 -11.406 8.983) 15.512 3.610 ( 9.512 -2.270 2.638) 10.129 4.524 ( -4.812 -11.462 -3.433) 12.896 4.773 ( 6.817 16.013 -1.982) 17.516 5.063 ( 0.588 5.496 -0.094) 5.528 5.341 ( 6.884 6.189 -1.991) 9.469 5.768 ( 0.774 0.855 3.605) 3.785 5.998 ( -3.768 4.470 4.322) 7.270 6.510 ( 0.519 3.046 -3.318) 4.534 6.542 ( -1.947 0.420 -7.271) 7.538 6.729 ( 4.188 -10.790 -4.553) 12.438 7.635 ( -1.546 -2.594 5.552) 6.320 8.048 ( 7.298 -8.746 1.918) 11.552 8.573 ( -0.620 4.206 7.080) 8.258 8.698 ( 0.771 -2.507 1.732) 3.144 9.087 ( -1.091 1.886 3.001) 3.709 9.616 ( -6.777 -1.935 -2.518) 7.484 9.693 ( 4.723 3.826 1.218) 6.198 10.001 ( -0.237 6.003 -4.318) 7.398 10.284 ( 0.254 -5.302 6.196) 8.158 10.391 ( -11.891 1.207 5.419) 13.124 10.640 ( 2.428 5.301 -4.221) 7.198 11.032 ( -11.903 -7.239 6.862) 15.530 11.242 ( -2.364 5.735 -7.970) 10.099 11.416 ( -2.773 -9.423 -1.089) 9.883 11.963 ( -4.332 -5.132 -4.261) 7.954 12.329 ( 18.920 9.622 -12.132) 24.449 12.793 ( 3.237 -1.635 3.161) 4.811 13.057 ( 10.140 -4.103 -3.132) 11.378 13.662 ( -5.844 6.386 -0.744) 8.689 14.153 ( -8.050 1.516 4.435) 9.315 14.883 ( -6.249 11.319 -5.272) 13.963 16.197 ( 10.663 -10.674 -6.760) 16.533 ======================= Grid point 432 (212/468) ======================= q-point: (-0.18 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( -6.458 -1.861 12.747) 14.411 2.436 ( 0.731 8.171 4.456) 9.336 3.158 ( -6.783 -8.429 0.595) 10.835 3.597 ( 3.254 -6.627 4.725) 8.765 3.915 ( 12.096 -8.096 10.265) 17.810 4.472 ( 3.055 -1.771 -10.272) 10.862 4.698 ( 2.285 13.695 0.647) 13.899 5.041 ( -0.221 -4.221 -2.962) 5.162 5.285 ( 4.876 13.998 -4.174) 15.400 5.831 ( 4.418 -3.791 -0.532) 5.846 5.916 ( -6.904 5.420 0.544) 8.794 6.439 ( 1.137 5.078 -3.865) 6.482 6.451 ( -1.217 -0.429 -3.441) 3.675 6.758 ( -0.995 -7.903 -5.911) 9.919 7.766 ( 6.603 -0.692 5.615) 8.696 8.230 ( 5.016 -8.589 2.263) 10.200 8.613 ( -0.709 6.547 8.084) 10.427 8.713 ( -3.053 0.224 -0.627) 3.125 9.076 ( -1.008 1.284 2.794) 3.236 9.547 ( -2.786 -6.013 -3.593) 7.538 9.695 ( 5.412 3.548 -6.986) 9.523 9.949 ( 0.759 -0.672 -0.322) 1.064 10.252 ( -13.236 2.994 4.610) 14.332 10.417 ( -2.378 -6.021 6.559) 9.216 10.607 ( -0.144 4.087 3.874) 5.633 11.013 ( -12.993 0.471 9.203) 15.929 11.109 ( 1.807 -1.159 -7.829) 8.118 11.467 ( -1.829 -4.953 3.797) 6.503 11.862 ( -7.613 -2.573 -4.464) 9.193 12.309 ( 15.149 7.377 -13.684) 21.707 12.913 ( 7.219 -3.083 -1.034) 7.918 13.237 ( 3.539 -2.267 10.971) 11.748 13.530 ( -3.085 4.774 -1.816) 5.967 13.987 ( -13.518 7.863 -1.234) 15.687 14.774 ( 3.149 -0.301 -0.962) 3.307 16.283 ( 11.437 -5.019 -12.336) 17.555 ======================= Grid point 433 (213/468) ======================= q-point: (-0.09 0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( -6.870 -1.414 3.204) 7.712 2.501 ( -1.558 -3.788 9.437) 10.287 3.189 ( -3.429 -8.138 3.135) 9.371 3.662 ( -2.428 1.489 -1.281) 3.123 4.107 ( -0.809 2.439 0.376) 2.597 4.475 ( 7.183 7.098 -1.428) 10.199 4.642 ( 11.493 -0.009 -4.561) 12.365 5.046 ( -0.469 -9.127 -5.403) 10.616 5.163 ( 2.979 13.476 -1.554) 13.888 5.776 ( -3.607 4.908 -3.237) 6.897 5.931 ( 3.595 -6.230 0.795) 7.236 6.388 ( 2.726 5.205 -1.033) 5.966 6.414 ( -1.043 -2.391 -2.000) 3.287 6.731 ( -1.321 -3.908 -3.450) 5.378 7.854 ( 3.627 7.892 0.883) 8.731 8.377 ( 3.549 -9.075 -0.816) 9.779 8.575 ( -5.184 -1.480 -6.866) 8.730 8.645 ( -3.821 8.353 8.039) 12.207 9.175 ( 1.964 0.211 9.920) 10.114 9.537 ( -0.300 -8.445 -5.568) 10.120 9.641 ( 5.351 -1.211 -7.064) 8.944 10.007 ( 3.130 -5.345 0.802) 6.245 10.151 ( -11.004 2.892 7.716) 13.747 10.453 ( -6.097 -0.396 2.491) 6.598 10.674 ( 0.087 0.394 9.391) 9.400 10.957 ( -9.127 2.616 6.780) 11.667 11.111 ( 3.962 -6.362 -2.233) 7.821 11.537 ( -0.972 4.847 8.528) 9.857 11.730 ( -7.209 -2.894 -4.223) 8.841 12.241 ( 9.894 5.548 -12.833) 17.128 12.925 ( 2.766 1.193 -9.754) 10.208 13.298 ( -14.762 6.848 7.181) 17.786 13.517 ( 6.265 -0.875 0.179) 6.328 13.847 ( -0.064 0.881 6.314) 6.376 14.884 ( 5.161 -7.028 2.868) 9.179 16.263 ( 11.183 0.966 -15.928) 19.486 ======================= Grid point 439 (214/468) ======================= q-point: ( 0.45 -0.55 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.470 ( 6.182 -0.000 13.932) 15.242 2.590 ( 3.202 -0.000 -7.217) 7.895 2.668 ( -9.723 0.000 13.887) 16.952 3.097 ( -8.393 0.000 0.088) 8.394 3.709 ( 2.168 -0.000 -9.253) 9.504 4.441 ( -11.709 0.000 7.876) 14.111 4.857 ( 15.577 -0.000 -4.515) 16.218 5.091 ( 3.340 -0.000 -5.039) 6.045 5.336 ( -2.816 0.000 -0.861) 2.945 5.739 ( -7.289 0.000 13.610) 15.438 6.164 ( 2.876 -0.000 12.100) 12.437 6.168 ( -8.373 0.000 12.751) 15.254 6.699 ( -1.063 0.000 -9.995) 10.052 6.743 ( 1.983 -0.000 -8.329) 8.562 7.579 ( -0.221 0.000 -2.237) 2.248 7.678 ( 1.510 -0.000 3.427) 3.745 8.471 ( -1.923 0.000 2.472) 3.132 8.522 ( -2.852 0.000 5.898) 6.551 9.312 ( 6.233 -0.000 -1.492) 6.409 9.367 ( -1.045 0.000 3.134) 3.304 9.839 ( 2.645 -0.000 11.039) 11.351 9.883 ( -8.094 0.000 6.322) 10.271 10.370 ( -3.686 0.000 -1.642) 4.035 10.384 ( 3.160 -0.000 -5.851) 6.650 10.597 ( 3.813 -0.000 9.406) 10.149 10.972 ( 9.323 -0.000 -3.704) 10.032 11.391 ( -15.670 0.000 -2.180) 15.821 11.513 ( 9.288 -0.000 -3.491) 9.922 12.218 ( -10.628 0.000 -11.524) 15.677 12.272 ( 18.023 -0.000 -7.265) 19.433 13.019 ( 7.986 -0.000 -13.596) 15.768 13.054 ( -3.689 0.000 -21.333) 21.649 13.837 ( 0.701 -0.000 6.002) 6.043 14.168 ( 0.106 -0.000 -1.290) 1.294 15.423 ( 16.121 -0.000 7.076) 17.605 15.752 ( -20.599 0.000 2.779) 20.786 ======================= Grid point 441 (215/468) ======================= q-point: (-0.45 0.45 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( -6.044 7.109 1.813) 9.505 2.684 ( 1.968 10.846 11.813) 16.157 2.850 ( 7.025 -10.663 11.144) 16.948 2.967 ( -12.132 -6.947 -1.243) 14.035 3.637 ( 3.777 0.598 -7.752) 8.644 4.331 ( -15.887 -7.280 2.599) 17.668 5.013 ( 14.879 9.702 -2.285) 17.909 5.172 ( 10.991 -5.438 -3.488) 12.749 5.324 ( 6.841 7.094 2.082) 10.073 5.773 ( -10.580 0.682 11.023) 15.294 6.132 ( -2.888 11.420 7.675) 14.059 6.391 ( 0.812 -13.528 3.007) 13.882 6.588 ( 1.837 0.979 -5.735) 6.101 6.641 ( -1.643 -1.831 -8.935) 9.268 7.577 ( 0.882 -0.704 0.375) 1.189 7.773 ( 1.957 -3.217 5.536) 6.696 8.494 ( 1.157 -0.734 2.446) 2.803 8.585 ( -2.611 -2.801 7.131) 8.094 9.264 ( 2.470 14.627 2.266) 15.006 9.501 ( 2.835 -10.905 1.328) 11.346 9.803 ( -9.251 1.439 0.445) 9.373 10.029 ( 2.478 -1.443 11.213) 11.574 10.277 ( -3.779 4.971 -1.046) 6.332 10.414 ( -0.403 -2.061 2.839) 3.531 10.744 ( 2.352 2.496 7.441) 8.193 10.961 ( -0.676 -3.075 -7.900) 8.505 11.190 ( -13.291 -5.315 -2.330) 14.502 11.544 ( 7.500 1.776 -8.795) 11.694 11.974 ( -8.121 -0.865 -6.967) 10.735 12.398 ( 17.276 2.695 -6.391) 18.617 12.829 ( 1.457 2.340 -9.351) 9.749 12.952 ( 8.690 -3.031 -15.578) 18.093 13.858 ( -3.690 3.135 2.538) 5.466 14.142 ( -4.260 -1.229 2.362) 5.024 15.413 ( -15.249 12.108 -2.764) 19.667 15.784 ( 13.216 -11.363 2.245) 17.573 ======================= Grid point 442 (216/468) ======================= q-point: (-0.36 0.45 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( -10.388 3.215 5.912) 12.378 2.653 ( -1.692 10.586 1.077) 10.774 2.965 ( -4.726 -9.606 4.734) 11.706 3.208 ( 9.452 -8.800 13.213) 18.476 3.615 ( 6.647 1.763 -2.596) 7.351 4.280 ( -9.982 -13.602 0.690) 16.885 5.010 ( 8.792 11.398 -6.521) 15.803 5.231 ( 6.208 5.879 -2.682) 8.961 5.420 ( 9.370 7.657 1.955) 12.258 5.776 ( -4.271 -1.385 4.694) 6.495 6.079 ( -4.408 5.947 2.924) 7.959 6.497 ( -2.558 -7.122 -7.031) 10.330 6.528 ( 2.842 -6.951 -4.011) 8.513 6.590 ( 3.855 2.669 -1.843) 5.038 7.619 ( 2.375 0.529 3.818) 4.527 7.918 ( 3.824 -6.088 5.356) 8.965 8.582 ( 3.426 -1.589 5.245) 6.463 8.665 ( -2.674 -1.853 6.826) 7.562 9.206 ( 1.176 11.501 2.602) 11.850 9.575 ( -5.301 -4.083 -2.145) 7.027 9.710 ( -2.137 -2.215 0.624) 3.141 10.092 ( -0.840 3.702 -5.879) 6.998 10.236 ( -3.527 1.022 10.349) 10.982 10.417 ( -7.729 1.796 4.027) 8.898 10.728 ( -0.537 4.767 -4.573) 6.628 10.918 ( -5.975 -5.740 3.497) 8.993 11.130 ( -7.220 -11.882 0.445) 13.911 11.452 ( 3.679 7.396 -8.008) 11.505 11.863 ( -4.665 -5.829 -4.824) 8.889 12.484 ( 17.271 7.120 -8.963) 20.720 12.786 ( 4.740 1.408 -2.779) 5.672 12.969 ( 9.957 -5.952 -4.059) 12.290 13.768 ( -6.109 5.469 -0.376) 8.208 14.149 ( -5.948 -1.441 5.948) 8.535 15.043 ( -16.360 6.873 -9.320) 20.044 16.053 ( 16.934 -5.898 -2.654) 18.127 ======================= Grid point 443 (217/468) ======================= q-point: (-0.27 0.45 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( -12.783 -2.690 8.027) 15.332 2.565 ( -1.981 4.960 -0.406) 5.356 3.038 ( -1.138 -4.263 2.538) 5.090 3.491 ( 3.374 -4.986 8.762) 10.631 3.793 ( 13.836 -4.961 8.275) 16.867 4.315 ( -1.188 -14.238 -3.452) 14.699 4.898 ( 3.298 10.057 -7.704) 13.091 5.173 ( 1.071 13.400 -0.905) 13.473 5.444 ( 6.060 4.926 -4.515) 9.020 5.800 ( 3.735 0.574 -1.179) 3.958 5.993 ( -6.996 3.827 1.287) 8.077 6.396 ( -3.320 -2.546 -5.418) 6.845 6.572 ( 4.382 6.815 -2.760) 8.560 6.601 ( 1.683 -9.832 -4.497) 10.942 7.748 ( 7.365 -0.995 6.816) 10.084 8.088 ( 4.442 -7.870 2.938) 9.502 8.692 ( -3.181 2.208 2.807) 4.783 8.722 ( 1.829 0.766 10.110) 10.303 9.150 ( -1.007 7.699 1.525) 7.913 9.462 ( -7.235 -3.699 -3.881) 9.005 9.726 ( 1.459 -1.469 -4.884) 5.305 9.955 ( -1.171 1.117 -6.308) 6.513 10.285 ( -14.512 -2.148 7.150) 16.320 10.347 ( -0.361 2.149 4.707) 5.187 10.663 ( -1.730 2.367 2.074) 3.591 10.927 ( -5.037 -5.348 0.328) 7.354 11.150 ( -7.499 -1.846 4.651) 9.015 11.408 ( 4.429 1.517 2.164) 5.158 11.798 ( -4.620 -4.985 -4.099) 7.937 12.463 ( 14.948 9.854 -14.151) 22.821 12.848 ( 9.065 -4.359 -4.949) 11.210 13.175 ( 4.198 -4.334 13.153) 14.471 13.628 ( -4.139 6.038 -2.512) 7.740 14.098 ( -11.984 4.847 2.730) 13.212 14.741 ( -6.924 -3.111 -8.901) 11.698 16.230 ( 16.731 -1.393 -7.609) 18.433 ======================= Grid point 444 (218/468) ======================= q-point: (-0.18 -0.55 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -14.759 -7.955 7.564) 18.393 2.500 ( -3.218 0.904 -0.875) 3.455 3.093 ( 1.108 -2.752 2.420) 3.828 3.640 ( -0.227 -3.192 5.865) 6.681 4.070 ( 4.844 -3.698 3.737) 7.149 4.451 ( 14.520 -11.721 -2.277) 18.798 4.749 ( -1.082 8.699 -5.933) 10.585 5.022 ( -1.225 10.619 -4.444) 11.576 5.374 ( 2.793 7.519 -6.398) 10.260 5.815 ( 2.306 -1.530 -6.425) 6.995 5.897 ( -3.381 4.380 3.529) 6.563 6.341 ( -1.833 -3.646 -2.234) 4.653 6.521 ( 4.523 7.928 -3.527) 9.785 6.640 ( -0.110 -6.426 -1.082) 6.517 7.944 ( 7.852 1.441 5.918) 9.937 8.214 ( 2.412 -8.624 -0.183) 8.957 8.591 ( -5.427 3.829 -6.462) 9.267 8.805 ( -4.074 9.083 9.756) 13.939 9.168 ( 3.686 -0.093 6.765) 7.704 9.390 ( -5.166 -8.421 -3.510) 10.484 9.648 ( 2.605 0.995 -8.798) 9.229 9.927 ( 2.299 -4.167 -2.350) 5.308 10.198 ( -10.629 2.123 6.603) 12.692 10.410 ( -2.525 -3.123 4.191) 5.804 10.679 ( -2.597 0.071 5.820) 6.374 10.907 ( -5.087 -5.629 0.085) 7.587 11.112 ( -5.626 2.882 6.337) 8.950 11.550 ( 2.521 -1.396 9.524) 9.950 11.735 ( -1.508 1.956 -1.102) 2.705 12.360 ( 10.450 8.238 -14.955) 20.018 12.901 ( 6.246 -3.910 -9.628) 12.125 13.366 ( -13.612 0.959 16.750) 21.605 13.551 ( 7.274 4.379 -3.881) 9.336 13.890 ( -7.294 4.651 -0.024) 8.651 14.714 ( 0.147 -12.501 -2.905) 12.835 16.308 ( 15.949 3.872 -10.583) 19.529 ======================= Grid point 445 (219/468) ======================= q-point: (-0.09 -0.55 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -14.128 -8.605 4.825) 17.231 2.460 ( -7.409 -7.570 0.726) 10.617 3.179 ( 2.820 -4.120 2.550) 5.606 3.627 ( -6.036 6.718 -0.519) 9.047 4.084 ( -1.401 3.298 -3.725) 5.168 4.539 ( -3.515 12.333 -5.664) 14.019 4.708 ( 10.348 -13.551 -6.539) 18.261 4.968 ( 8.507 0.921 -1.321) 8.659 5.282 ( 1.969 7.798 -0.283) 8.048 5.711 ( -2.480 1.826 -5.414) 6.229 5.940 ( -0.640 -3.481 3.770) 5.171 6.358 ( 1.246 -3.720 0.555) 3.962 6.481 ( 4.957 5.882 -2.417) 8.063 6.683 ( -0.167 -3.089 1.233) 3.330 7.988 ( 0.508 10.904 2.670) 11.238 8.273 ( 1.216 -0.128 -13.221) 13.278 8.430 ( -4.685 -8.701 2.123) 10.108 8.745 ( -5.107 8.872 3.899) 10.954 9.295 ( -2.201 -0.029 6.680) 7.033 9.381 ( -3.143 -5.430 -2.385) 6.712 9.652 ( 13.708 -5.327 -5.720) 15.780 9.999 ( 2.387 -5.933 -0.008) 6.395 10.157 ( -6.865 1.101 8.229) 10.773 10.410 ( -5.805 0.620 2.453) 6.332 10.711 ( -4.296 -2.759 1.968) 5.472 10.918 ( -1.937 -3.531 3.882) 5.593 11.180 ( -0.848 -4.565 10.855) 11.806 11.621 ( 0.235 0.740 -1.964) 2.112 11.750 ( 1.817 11.511 10.549) 15.719 12.230 ( 5.951 4.902 -11.978) 14.245 12.823 ( 3.898 0.919 -13.220) 13.813 13.196 ( -19.548 7.681 3.532) 21.298 13.610 ( 9.483 -0.543 -1.399) 9.601 13.974 ( 1.712 -3.641 11.977) 12.635 14.815 ( 0.621 -16.502 -2.778) 16.746 16.307 ( 14.347 9.495 -10.383) 20.095 ======================= Grid point 452 (220/468) ======================= q-point: (-0.45 0.55 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( -12.959 0.000 3.709) 13.479 2.737 ( -10.860 0.000 -3.705) 11.475 2.903 ( 5.992 -0.000 4.974) 7.788 3.118 ( 11.613 -0.000 16.947) 20.544 3.639 ( 7.165 -0.000 -3.392) 7.927 4.147 ( -13.450 0.000 3.031) 13.787 5.164 ( 9.979 -0.000 -6.866) 12.113 5.192 ( 8.066 -0.000 -6.690) 10.479 5.570 ( 17.339 -0.000 2.807) 17.564 5.721 ( -13.570 0.000 6.520) 15.055 6.175 ( -9.465 0.000 2.761) 9.859 6.345 ( 5.653 -0.000 -3.363) 6.577 6.506 ( -1.667 0.000 -7.252) 7.442 6.613 ( 5.574 -0.000 -0.955) 5.655 7.631 ( 5.391 -0.000 1.603) 5.624 7.860 ( 0.141 -0.000 8.214) 8.215 8.564 ( 4.024 -0.000 4.680) 6.173 8.645 ( -2.205 0.000 8.578) 8.857 9.412 ( 1.686 -0.000 -0.900) 1.911 9.444 ( -1.675 0.000 3.366) 3.759 9.680 ( -7.759 0.000 -2.734) 8.227 10.120 ( -0.034 0.000 -4.034) 4.034 10.266 ( -11.140 0.000 12.086) 16.437 10.442 ( -0.641 0.000 2.707) 2.782 10.785 ( -4.592 0.000 -7.897) 9.135 10.853 ( -0.538 0.000 4.791) 4.821 11.006 ( -8.406 0.000 1.563) 8.550 11.531 ( 7.379 -0.000 -9.279) 11.856 11.800 ( -7.528 0.000 -4.602) 8.823 12.546 ( 15.055 -0.000 -4.489) 15.710 12.833 ( 10.460 -0.000 -18.605) 21.344 12.883 ( 6.310 -0.000 6.085) 8.766 13.821 ( -6.354 0.000 -0.282) 6.360 14.130 ( -5.164 0.000 6.378) 8.206 15.104 ( -21.185 0.000 -11.151) 23.941 16.002 ( 20.501 -0.000 -0.695) 20.513 ======================= Grid point 454 (221/468) ======================= q-point: (-0.36 0.55 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -15.802 -1.003 5.656) 16.814 2.587 ( -6.840 -0.893 -3.121) 7.571 3.023 ( 6.132 0.915 2.130) 6.556 3.442 ( 7.131 -0.953 11.635) 13.680 3.760 ( 13.015 0.576 5.460) 14.126 4.087 ( -7.049 -9.598 1.659) 12.024 5.077 ( 4.672 10.739 -9.615) 15.153 5.236 ( 5.910 -6.160 -8.441) 12.005 5.574 ( -6.552 9.422 2.199) 11.684 5.797 ( 9.426 -2.256 -1.559) 9.817 6.060 ( -6.958 3.496 0.812) 7.830 6.374 ( 1.369 0.185 -5.356) 5.531 6.447 ( 1.609 -6.992 -3.201) 7.857 6.656 ( 6.404 2.624 -3.315) 7.674 7.744 ( 6.413 0.372 5.362) 8.368 7.979 ( 1.843 -4.063 5.672) 7.216 8.709 ( 2.281 0.517 7.714) 8.061 8.726 ( 0.528 -0.463 8.917) 8.944 9.313 ( -4.694 9.054 0.186) 10.200 9.426 ( -8.191 -0.483 -3.054) 8.755 9.631 ( 0.639 -7.724 -3.255) 8.407 9.979 ( -3.370 1.086 -9.737) 10.361 10.238 ( -13.908 -1.594 7.752) 16.002 10.434 ( -0.898 4.716 2.024) 5.210 10.685 ( -2.626 0.345 -0.850) 2.782 10.869 ( -2.521 -1.370 -0.038) 2.870 11.053 ( -6.310 -5.536 12.736) 15.253 11.503 ( 5.594 6.276 -2.678) 8.824 11.702 ( -3.219 -5.347 -2.584) 6.755 12.618 ( 13.256 7.379 -10.579) 18.495 12.768 ( 11.788 -4.688 -14.059) 18.936 13.112 ( 3.283 -2.376 16.785) 17.268 13.711 ( -5.322 2.947 -2.371) 6.529 14.149 ( -7.044 1.304 7.307) 10.233 14.692 ( -16.052 -1.864 -15.527) 22.410 16.222 ( 20.022 0.025 -4.949) 20.624 ======================= Grid point 455 (222/468) ======================= q-point: (-0.27 -0.45 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.175 ( -18.124 -5.003 6.888) 20.024 2.484 ( -6.448 -2.375 -3.387) 7.660 3.088 ( 5.239 1.131 -1.115) 5.474 3.605 ( 0.689 0.364 9.200) 9.233 4.021 ( 7.550 -2.082 6.040) 9.890 4.204 ( 8.363 -14.117 2.080) 16.539 4.905 ( 2.342 10.092 -8.755) 13.564 5.197 ( 0.376 1.986 -8.656) 8.889 5.444 ( -2.325 5.587 -2.466) 6.535 5.813 ( 1.268 0.407 -6.401) 6.538 5.992 ( -1.449 5.778 2.101) 6.316 6.310 ( 0.737 0.565 -3.881) 3.991 6.512 ( 0.947 -8.321 -0.856) 8.418 6.641 ( 5.428 5.338 -5.207) 9.224 7.923 ( 6.857 -2.229 8.159) 10.888 8.092 ( 1.630 -5.555 1.423) 5.962 8.695 ( -3.809 7.084 -0.884) 8.091 8.917 ( 1.005 3.200 13.853) 14.253 9.195 ( -2.439 2.092 -0.339) 3.231 9.271 ( -7.951 -3.572 -4.775) 9.939 9.640 ( 0.995 -2.535 -4.402) 5.176 9.867 ( 2.126 -2.452 -6.751) 7.490 10.186 ( -10.625 -3.129 5.928) 12.563 10.420 ( -0.749 4.195 3.496) 5.511 10.670 ( -1.905 -1.064 1.664) 2.744 10.835 ( -3.772 -2.698 -0.764) 4.700 11.116 ( -13.498 -2.275 10.934) 17.519 11.561 ( 6.279 2.824 4.994) 8.506 11.748 ( 3.867 -0.573 5.492) 6.741 12.513 ( 10.318 9.346 -16.045) 21.242 12.804 ( 8.370 -7.001 -11.731) 16.022 13.354 ( -10.140 -1.432 21.287) 23.622 13.629 ( 5.099 3.845 -2.700) 6.934 14.012 ( -10.824 9.503 -3.016) 14.716 14.477 ( -4.698 -14.541 -7.883) 17.195 16.375 ( 19.215 3.310 -7.474) 20.881 ======================= Grid point 456 (223/468) ======================= q-point: (-0.18 -0.45 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -19.522 -9.433 7.474) 22.933 2.367 ( -9.815 -4.290 -3.513) 11.273 3.125 ( 3.899 -2.684 -2.801) 5.500 3.694 ( -3.464 2.180 7.947) 8.939 4.111 ( 3.568 0.973 -1.569) 4.017 4.441 ( 5.707 -11.885 -3.129) 13.551 4.801 ( 1.901 10.208 -2.024) 10.579 5.016 ( 1.104 4.068 -9.409) 10.310 5.379 ( 4.350 5.297 -1.927) 7.120 5.733 ( -1.130 0.100 -5.411) 5.529 5.942 ( -5.039 3.623 3.024) 6.904 6.308 ( 4.075 -1.650 -1.571) 4.668 6.571 ( 4.767 -0.246 -6.017) 7.681 6.606 ( -0.721 -1.639 2.782) 3.308 8.081 ( -2.004 0.457 4.428) 4.882 8.185 ( 5.511 -7.725 3.005) 9.954 8.478 ( -5.930 11.497 -8.993) 15.755 8.901 ( -6.881 8.867 1.262) 11.294 9.194 ( -1.416 -6.568 0.922) 6.782 9.347 ( 3.663 -4.140 9.085) 10.634 9.613 ( 6.004 1.099 -6.418) 8.857 9.891 ( 4.509 -6.314 -2.396) 8.120 10.164 ( -7.307 -1.446 5.075) 9.013 10.417 ( -3.765 2.076 4.113) 5.950 10.671 ( -2.242 -2.207 -0.922) 3.278 10.837 ( -2.020 -5.299 2.632) 6.252 11.108 ( -10.497 -3.793 10.955) 15.639 11.650 ( 3.942 2.712 2.638) 5.464 11.922 ( 5.557 7.670 13.341) 16.361 12.337 ( 5.072 7.758 -14.689) 17.369 12.783 ( 5.891 -5.244 -13.456) 15.597 13.307 ( -21.767 4.661 7.788) 23.584 13.663 ( 9.489 6.685 -5.076) 12.669 13.915 ( -0.038 -2.545 9.254) 9.598 14.513 ( -1.838 -18.367 -5.359) 19.221 16.462 ( 17.604 8.040 -7.436) 20.732 ======================= Grid point 457 (224/468) ======================= q-point: (-0.09 -0.45 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.037 ( -18.658 -12.032 7.255) 23.356 2.236 ( -14.449 -9.308 -1.965) 17.299 3.169 ( 1.310 -9.290 -3.015) 9.854 3.635 ( -7.660 11.998 3.581) 14.679 4.050 ( -0.754 7.694 -7.073) 10.478 4.504 ( 0.255 1.467 -4.097) 4.359 4.601 ( -0.347 -0.661 -5.527) 5.577 5.052 ( 5.684 -5.580 -2.921) 8.484 5.414 ( 9.022 10.201 0.117) 13.618 5.633 ( -4.935 1.648 -1.408) 5.390 5.901 ( -7.595 -4.403 2.233) 9.058 6.409 ( 7.786 -3.126 2.804) 8.847 6.540 ( 5.326 2.557 -4.536) 7.448 6.675 ( -2.048 -4.138 4.553) 6.484 8.019 ( -8.073 0.921 -2.640) 8.543 8.204 ( -0.820 14.396 -6.093) 15.654 8.374 ( 3.684 -7.620 4.305) 9.496 8.753 ( -4.428 5.342 -1.806) 7.170 9.277 ( -1.894 -4.756 3.821) 6.388 9.391 ( 0.022 8.246 0.799) 8.285 9.706 ( 11.527 -7.471 -3.604) 14.201 9.967 ( -0.022 -2.929 -1.585) 3.330 10.190 ( -0.945 -4.371 6.275) 7.705 10.392 ( -4.852 1.859 4.422) 6.823 10.612 ( -5.064 -1.625 -3.316) 6.267 10.943 ( 3.628 -7.311 3.525) 8.891 11.234 ( -2.824 -8.683 13.162) 16.019 11.682 ( 1.843 4.367 -0.126) 4.742 11.944 ( 1.725 12.980 -2.533) 13.337 12.224 ( 2.061 5.860 -0.683) 6.249 12.751 ( 7.065 -1.724 -7.323) 10.321 13.074 ( -12.766 5.335 1.659) 13.935 13.684 ( 5.777 0.402 -2.691) 6.386 14.089 ( -0.651 -4.087 9.565) 10.422 14.591 ( -0.453 -20.225 -5.975) 21.094 16.493 ( 13.895 13.054 -4.887) 19.681 ======================= Grid point 465 (225/468) ======================= q-point: (-0.36 -0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.132 ( -19.421 0.000 6.530) 20.489 2.456 ( -6.840 0.000 -3.725) 7.788 3.100 ( 5.290 -0.000 -2.781) 5.976 3.630 ( 4.078 -0.000 8.449) 9.381 3.992 ( -4.505 0.000 2.595) 5.199 4.069 ( 17.686 -0.000 9.837) 20.238 5.062 ( 0.272 -0.000 -13.188) 13.191 5.115 ( 4.274 -0.000 -7.522) 8.652 5.531 ( -6.041 0.000 0.598) 6.070 5.809 ( 0.052 -0.000 -5.509) 5.509 6.055 ( 2.135 -0.000 -0.766) 2.269 6.352 ( -1.718 0.000 -0.972) 1.974 6.394 ( 3.613 -0.000 -3.862) 5.288 6.688 ( 6.309 -0.000 -6.332) 8.938 7.902 ( 5.182 -0.000 8.142) 9.651 8.040 ( 1.660 -0.000 3.116) 3.531 8.773 ( -1.917 0.000 3.149) 3.687 8.931 ( 4.454 -0.000 15.372) 16.004 9.183 ( -8.277 0.000 -7.133) 10.927 9.291 ( -10.828 0.000 -3.518) 11.385 9.598 ( 3.904 -0.000 -0.789) 3.983 9.848 ( 1.804 -0.000 -8.871) 9.053 10.150 ( -10.877 0.000 5.665) 12.264 10.475 ( 0.243 -0.000 2.274) 2.287 10.655 ( -1.536 0.000 0.201) 1.550 10.812 ( -3.980 0.000 -2.049) 4.476 11.085 ( -15.088 0.000 14.067) 20.628 11.600 ( 5.931 -0.000 1.170) 6.045 11.734 ( 6.636 -0.000 9.742) 11.787 12.663 ( 14.482 -0.000 -20.347) 24.975 12.675 ( 4.811 -0.000 -9.018) 10.221 13.339 ( -8.908 0.000 22.687) 24.373 13.664 ( 3.034 -0.000 -2.014) 3.642 14.167 ( -7.607 0.000 6.884) 10.259 14.277 ( -9.595 0.000 -19.987) 22.171 16.405 ( 20.334 -0.000 -6.535) 21.358 ======================= Grid point 466 (226/468) ======================= q-point: (-0.27 -0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -22.108 -3.655 7.852) 23.744 2.308 ( -10.894 -2.183 -4.262) 11.900 3.084 ( 1.397 -1.621 -7.030) 7.348 3.756 ( 1.384 4.940 9.479) 10.778 4.035 ( 0.932 -7.832 2.228) 8.196 4.379 ( 13.314 2.092 4.878) 14.333 4.854 ( -1.990 -1.071 -12.087) 12.297 5.073 ( -0.426 1.634 -7.453) 7.642 5.496 ( 5.608 6.150 0.524) 8.339 5.723 ( -3.431 -0.826 -3.909) 5.267 6.020 ( -3.655 3.744 -1.295) 5.390 6.316 ( 3.174 3.134 -2.253) 4.997 6.435 ( -1.229 -9.227 0.676) 9.333 6.659 ( 5.002 2.234 -7.464) 9.259 8.068 ( -0.285 -0.702 5.888) 5.937 8.087 ( 1.664 -3.289 4.486) 5.806 8.675 ( -6.062 8.618 -4.601) 11.497 9.006 ( -3.959 1.108 -9.880) 10.702 9.134 ( -1.180 2.159 8.088) 8.454 9.242 ( 2.816 -7.079 10.425) 12.912 9.651 ( 3.662 2.092 1.147) 4.370 9.803 ( 6.567 -3.346 -8.611) 11.335 10.116 ( -7.898 -2.548 5.535) 9.975 10.493 ( -0.496 5.078 3.229) 6.038 10.637 ( -1.944 -1.525 -1.735) 3.019 10.745 ( -3.987 -4.643 -1.519) 6.306 11.062 ( -13.663 -1.379 12.954) 18.878 11.692 ( 4.697 1.600 3.339) 5.981 12.005 ( 7.921 2.293 16.495) 18.441 12.487 ( 2.897 9.210 -14.740) 17.620 12.661 ( 8.834 -8.409 -15.361) 19.614 13.354 ( -20.732 1.168 10.745) 23.380 13.781 ( 9.794 3.726 4.103) 11.254 13.937 ( -1.721 7.215 -6.692) 9.990 14.212 ( -5.287 -15.629 -3.346) 16.835 16.562 ( 19.518 3.139 -6.254) 20.734 ======================= Grid point 467 (227/468) ======================= q-point: (-0.18 -0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -22.879 -8.317 9.937) 26.294 2.117 ( -16.609 -5.033 -3.327) 17.671 3.005 ( -5.426 -8.493 -7.791) 12.738 3.809 ( -1.805 9.208 8.203) 12.463 4.145 ( 4.053 -0.753 -1.164) 4.284 4.389 ( 2.017 1.209 -6.533) 6.944 4.829 ( -1.991 5.212 -4.551) 7.200 4.890 ( 1.835 -4.394 -7.583) 8.954 5.578 ( 9.568 8.857 4.587) 13.821 5.660 ( -1.114 -0.774 -3.073) 3.359 5.885 ( -11.759 3.179 0.791) 12.207 6.352 ( 8.314 -2.885 -2.527) 9.156 6.516 ( -1.316 -7.172 2.430) 7.686 6.623 ( 3.154 0.219 -2.510) 4.037 8.031 ( -6.454 0.512 -1.212) 6.587 8.199 ( -6.292 -5.551 3.198) 8.980 8.500 ( 4.044 11.758 0.052) 12.434 8.831 ( -0.477 4.284 -8.860) 9.853 9.229 ( 1.638 -1.760 6.600) 7.024 9.465 ( 1.533 -0.902 7.750) 7.951 9.654 ( 7.937 3.449 -4.661) 9.830 9.883 ( 5.677 -6.638 -0.094) 8.735 10.123 ( -4.791 -3.665 4.252) 7.380 10.446 ( -4.579 5.129 3.102) 7.543 10.580 ( -2.639 -2.030 -4.561) 5.647 10.791 ( 0.622 -9.843 1.562) 9.985 11.129 ( -5.497 -3.414 14.340) 15.732 11.739 ( 0.120 2.287 -0.767) 2.415 12.158 ( 1.812 11.398 -3.032) 11.932 12.313 ( 1.503 3.662 2.390) 4.624 12.687 ( 9.684 -5.115 -7.124) 13.065 13.150 ( -15.794 3.280 0.754) 16.149 13.750 ( 5.658 7.501 -6.126) 11.217 14.026 ( -0.906 -2.966 10.086) 10.552 14.254 ( -1.205 -18.649 -5.200) 19.398 16.678 ( 16.897 8.051 -4.155) 19.173 ======================= Grid point 468 (228/468) ======================= q-point: (-0.09 -0.36 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( -21.118 -11.235 10.519) 26.131 1.912 ( -21.140 -9.424 -0.673) 23.155 2.924 ( -14.030 -19.423 -3.161) 24.168 3.741 ( -3.221 16.193 4.530) 17.121 4.019 ( -0.340 11.925 -10.510) 15.899 4.485 ( 6.570 -12.768 0.358) 14.364 4.581 ( -3.615 13.395 -2.472) 14.093 5.003 ( 6.122 -9.201 -2.260) 11.281 5.563 ( -5.380 8.924 -2.446) 10.704 5.633 ( 2.388 9.338 2.503) 9.958 5.733 ( -12.063 -6.124 -0.996) 13.565 6.476 ( 7.551 -7.781 -5.128) 11.994 6.607 ( 7.030 0.140 5.956) 9.215 6.697 ( 0.709 -3.766 6.044) 7.156 7.861 ( -9.909 3.751 -5.595) 11.982 8.156 ( -5.407 -5.291 0.323) 7.572 8.555 ( 10.403 11.921 1.835) 15.928 8.731 ( 0.777 1.456 -0.728) 1.804 9.287 ( -3.370 5.733 1.555) 6.829 9.496 ( 5.383 2.278 1.707) 6.090 9.722 ( 4.486 -2.902 -2.276) 5.807 9.904 ( -4.035 1.263 -2.018) 4.686 10.196 ( -1.118 -6.083 4.387) 7.583 10.415 ( -2.029 0.273 0.309) 2.070 10.543 ( 2.841 -0.528 1.092) 3.089 10.941 ( 5.648 -12.259 0.476) 13.506 11.316 ( -0.298 -3.676 8.162) 8.957 11.583 ( -4.309 -2.045 -10.605) 11.628 12.056 ( -0.959 8.820 5.243) 10.306 12.326 ( 2.745 8.297 -0.661) 8.765 12.777 ( 3.501 -0.451 0.880) 3.638 13.042 ( 0.726 -0.833 2.646) 2.868 13.674 ( -0.844 1.382 -6.251) 6.457 14.084 ( -0.829 -5.651 -3.528) 6.713 14.390 ( -0.572 -16.085 3.020) 16.376 16.731 ( 11.313 13.877 -1.074) 17.936 ======================= Grid point 477 (229/468) ======================= q-point: (-0.27 -0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( -24.446 0.000 10.813) 26.730 2.071 ( -17.478 0.000 -3.482) 17.822 2.926 ( -8.121 0.000 -9.544) 12.532 3.942 ( 4.089 -0.000 8.859) 9.757 4.042 ( 1.458 -0.000 3.526) 3.815 4.555 ( -7.513 0.000 -17.398) 18.951 4.628 ( 13.377 -0.000 2.339) 13.580 4.994 ( -2.998 0.000 -6.286) 6.965 5.624 ( -6.109 0.000 -1.485) 6.287 5.691 ( 14.151 -0.000 3.831) 14.660 5.924 ( -10.349 0.000 -1.690) 10.486 6.344 ( -1.374 0.000 -0.710) 1.547 6.406 ( 4.040 -0.000 3.270) 5.197 6.632 ( 4.620 -0.000 -6.734) 8.167 8.036 ( -5.431 0.000 -0.100) 5.432 8.149 ( -6.623 0.000 4.743) 8.146 8.604 ( -1.724 0.000 -0.014) 1.724 8.886 ( 6.344 -0.000 -12.857) 14.337 9.199 ( 1.000 -0.000 5.186) 5.281 9.449 ( 2.047 -0.000 16.863) 16.987 9.739 ( 10.111 -0.000 -14.752) 17.884 9.781 ( 4.400 -0.000 7.866) 9.013 10.083 ( -6.321 0.000 5.029) 8.078 10.539 ( -0.667 0.000 -3.019) 3.091 10.549 ( -5.601 0.000 -2.625) 6.186 10.667 ( -0.994 0.000 3.014) 3.173 11.104 ( -6.201 0.000 13.880) 15.202 11.758 ( -0.462 0.000 -1.199) 1.285 12.291 ( 7.396 -0.000 9.150) 11.766 12.327 ( -6.831 0.000 -9.611) 11.791 12.627 ( 13.631 -0.000 -5.573) 14.726 13.179 ( -16.875 0.000 0.426) 16.880 13.895 ( 12.262 -0.000 -13.433) 18.188 13.996 ( -10.217 0.000 -3.652) 10.850 14.016 ( 0.763 -0.000 14.832) 14.851 16.749 ( 18.189 -0.000 -3.915) 18.606 ======================= Grid point 478 (230/468) ======================= q-point: (-0.18 -0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -24.131 -4.500 14.687) 28.605 1.802 ( -23.088 -3.420 -0.474) 23.344 2.671 ( -20.842 -8.428 -6.471) 23.394 3.998 ( 1.955 13.748 5.602) 14.974 4.159 ( 1.501 1.182 -3.931) 4.371 4.283 ( 0.065 -7.575 -6.147) 9.756 4.749 ( -1.279 0.164 -6.896) 7.015 4.913 ( 8.917 2.662 0.333) 9.312 5.541 ( -7.965 -4.372 -0.547) 9.102 5.735 ( -13.854 4.260 0.924) 14.523 5.846 ( 6.705 7.947 -0.282) 10.401 6.349 ( 0.988 -4.957 -0.935) 5.140 6.554 ( 6.384 -5.224 5.750) 10.055 6.657 ( 7.312 -0.305 -0.162) 7.320 7.923 ( -10.031 3.156 -1.227) 10.588 8.059 ( -9.236 -4.497 -1.219) 10.344 8.676 ( 3.599 0.999 8.100) 8.919 8.811 ( 10.723 6.905 -11.901) 17.444 9.304 ( 0.601 -3.228 5.982) 6.824 9.580 ( 3.114 8.757 -2.295) 9.573 9.697 ( 5.107 -3.041 -2.575) 6.478 9.943 ( 2.220 2.463 6.882) 7.639 10.095 ( -2.947 -4.627 4.952) 7.390 10.437 ( -2.110 2.504 -3.072) 4.489 10.501 ( 2.375 -4.199 -2.518) 5.442 10.772 ( 2.154 -5.735 5.022) 7.922 11.241 ( -0.352 -3.082 12.469) 12.850 11.580 ( -9.242 0.526 -15.670) 18.200 12.187 ( -6.833 5.059 4.835) 9.781 12.416 ( 8.677 1.860 -2.948) 9.351 12.785 ( 5.383 1.283 7.202) 9.083 13.013 ( -3.916 -1.858 -3.335) 5.469 13.743 ( -4.940 6.148 -8.998) 11.965 13.949 ( 4.586 -9.133 -9.295) 13.814 14.207 ( -1.671 -4.760 12.259) 13.257 16.905 ( 14.895 5.601 -1.148) 15.954 ======================= Grid point 479 (231/468) ======================= q-point: (-0.09 -0.27 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -26.195 -5.096 2.109) 26.769 1.598 ( -22.708 -9.296 11.461) 27.082 2.475 ( -28.370 -23.488 7.301) 37.548 3.926 ( 0.323 16.031 4.727) 16.716 3.996 ( 2.014 11.790 -8.961) 14.945 4.452 ( 4.185 -11.642 0.044) 12.371 4.615 ( -2.490 2.926 1.834) 4.257 5.063 ( 11.991 0.031 -0.265) 11.994 5.479 ( -10.771 -8.498 -1.929) 13.854 5.520 ( -14.548 6.462 3.548) 16.309 5.755 ( 0.905 13.361 -4.176) 14.028 6.407 ( 2.148 -8.552 -2.479) 9.160 6.761 ( 6.035 -4.697 2.074) 7.924 6.789 ( 7.580 -1.001 6.017) 9.729 7.724 ( -10.159 6.096 -1.820) 11.987 8.030 ( -4.774 -9.912 0.750) 11.027 8.743 ( 9.508 9.968 -6.990) 15.447 8.837 ( 6.578 0.959 7.359) 9.917 9.264 ( -4.139 5.547 -10.288) 12.399 9.579 ( 5.393 -5.315 2.955) 8.128 9.709 ( -4.083 4.966 2.424) 6.871 9.932 ( -1.985 10.466 4.505) 11.566 10.201 ( -0.387 -4.260 6.397) 7.695 10.370 ( 1.589 0.984 -4.152) 4.553 10.670 ( 12.812 -5.163 2.514) 14.040 10.863 ( 1.153 -7.451 -9.864) 12.416 11.219 ( -7.635 2.515 -6.278) 10.200 11.519 ( 6.557 -14.862 6.192) 17.384 12.121 ( -13.854 3.449 9.791) 17.311 12.412 ( 6.081 8.771 -5.331) 11.931 12.852 ( 5.111 2.560 1.500) 5.910 13.091 ( 5.412 -7.976 1.818) 9.809 13.515 ( -5.875 -0.412 -11.191) 12.646 13.963 ( 3.861 -5.452 -7.515) 10.055 14.353 ( -4.373 -7.150 8.782) 12.140 16.974 ( 8.428 13.551 0.919) 15.985 ======================= Grid point 489 (232/468) ======================= q-point: (-0.18 -0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -26.491 0.000 5.738) 27.105 1.515 ( -24.905 0.000 11.073) 27.256 2.255 ( -33.767 0.000 6.567) 34.399 4.070 ( 0.530 -0.000 -7.761) 7.779 4.201 ( 1.715 -0.000 5.775) 6.024 4.235 ( 6.957 -0.000 0.310) 6.964 4.644 ( -3.432 0.000 -3.294) 4.756 5.100 ( 14.250 -0.000 1.783) 14.361 5.381 ( -10.171 0.000 -2.990) 10.602 5.585 ( -15.584 0.000 2.848) 15.842 5.894 ( 0.488 -0.000 -5.097) 5.121 6.317 ( -3.307 0.000 2.356) 4.060 6.677 ( 10.497 -0.000 0.261) 10.500 6.798 ( 7.989 -0.000 4.201) 9.027 7.817 ( -11.105 0.000 1.961) 11.277 7.904 ( -6.855 0.000 -1.246) 6.967 8.800 ( 0.613 -0.000 7.996) 8.020 8.884 ( 17.534 -0.000 -10.580) 20.479 9.296 ( -4.700 0.000 -8.115) 9.378 9.523 ( 3.413 -0.000 -5.286) 6.291 9.781 ( -2.657 0.000 8.625) 9.025 10.082 ( -3.440 0.000 5.040) 6.102 10.130 ( 5.084 -0.000 7.872) 9.371 10.436 ( 6.346 -0.000 -6.553) 9.122 10.499 ( 9.223 -0.000 0.346) 9.230 10.840 ( 0.764 -0.000 0.624) 0.986 11.247 ( -9.697 0.000 -10.862) 14.561 11.362 ( 1.485 -0.000 7.239) 7.390 12.155 ( -17.221 0.000 10.046) 19.937 12.496 ( 10.552 -0.000 -5.800) 12.041 12.944 ( 7.367 -0.000 -7.147) 10.265 12.946 ( -0.206 0.000 8.527) 8.530 13.516 ( -7.524 0.000 -12.635) 14.706 13.905 ( 6.585 -0.000 -6.504) 9.256 14.295 ( -4.641 0.000 10.358) 11.350 17.098 ( 11.983 -0.000 0.298) 11.987 ======================= Grid point 490 (233/468) ======================= q-point: (-0.09 -0.18 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -32.477 -0.520 -3.608) 32.681 1.351 ( -24.188 -10.092 12.634) 29.095 2.159 ( -29.840 -14.238 30.660) 45.091 4.029 ( 5.978 8.502 -4.704) 11.408 4.166 ( 3.286 13.609 3.437) 14.416 4.401 ( 2.287 -8.986 3.221) 9.816 4.647 ( -1.789 -2.553 7.912) 8.504 5.165 ( -4.486 4.241 -4.848) 7.850 5.302 ( 4.924 -4.285 -2.068) 6.847 5.452 ( -11.656 1.360 5.725) 13.057 5.793 ( 0.048 6.962 -2.955) 7.563 6.337 ( -2.018 -6.798 1.674) 7.286 6.784 ( 7.221 -4.639 -5.661) 10.282 6.884 ( 1.044 1.099 -0.231) 1.534 7.689 ( -7.751 7.424 4.543) 11.655 7.903 ( -3.558 -10.508 2.136) 11.297 8.878 ( 3.542 6.248 4.321) 8.381 8.987 ( 3.533 1.607 -13.952) 14.482 9.034 ( 4.876 -0.949 -5.439) 7.366 9.640 ( 3.685 -6.246 8.063) 10.844 9.769 ( -6.175 5.079 3.206) 8.614 10.056 ( -2.984 10.597 4.304) 11.821 10.283 ( 3.088 -1.547 2.814) 4.455 10.394 ( 8.411 1.404 -8.106) 11.766 10.604 ( -3.821 7.016 -11.983) 14.402 10.790 ( 13.097 -10.200 -0.969) 16.629 11.237 ( 1.883 1.303 9.722) 9.988 11.452 ( -0.043 -16.462 -6.255) 17.611 12.024 ( -21.873 0.477 9.447) 23.831 12.486 ( 7.719 7.409 -8.687) 13.782 12.959 ( 4.951 1.774 0.659) 5.300 13.053 ( 2.668 -8.360 -2.620) 9.158 13.359 ( -0.818 -1.303 -1.899) 2.444 13.914 ( 4.677 -1.752 -4.574) 6.772 14.340 ( -6.878 -2.747 6.398) 9.787 17.172 ( 6.146 9.877 -1.509) 11.731 ======================= Grid point 501 (234/468) ======================= q-point: (-0.09 -0.09 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -23.183 0.000 8.369) 24.647 1.267 ( -17.432 0.000 22.840) 28.732 2.196 ( -25.368 0.000 35.980) 44.024 4.112 ( 5.880 -0.000 -3.548) 6.867 4.196 ( 6.064 -0.000 -10.003) 11.697 4.475 ( -11.099 0.000 9.955) 14.909 4.719 ( -3.028 0.000 9.112) 9.602 5.137 ( 3.161 -0.000 11.340) 11.772 5.294 ( 5.342 -0.000 -12.774) 13.846 5.411 ( -8.064 0.000 7.430) 10.966 5.851 ( 5.081 -0.000 2.765) 5.784 6.294 ( -4.056 0.000 3.070) 5.087 6.743 ( 5.527 -0.000 -9.939) 11.372 6.842 ( -2.409 0.000 -4.613) 5.204 7.719 ( -6.392 0.000 7.451) 9.817 7.860 ( -1.470 0.000 4.793) 5.014 8.723 ( -6.361 0.000 -9.552) 11.476 9.028 ( 5.052 -0.000 5.978) 7.827 9.241 ( 20.101 -0.000 -1.900) 20.190 9.636 ( -12.810 0.000 -8.066) 15.137 9.787 ( 5.569 -0.000 9.969) 11.419 10.118 ( 3.762 -0.000 -17.611) 18.008 10.120 ( -6.991 0.000 4.790) 8.475 10.471 ( 5.405 -0.000 2.780) 6.078 10.670 ( 3.198 -0.000 -0.944) 3.334 10.860 ( 10.276 -0.000 -6.682) 12.257 11.063 ( -7.813 0.000 -17.671) 19.321 11.482 ( 4.712 -0.000 14.070) 14.838 11.871 ( -21.930 0.000 12.192) 25.091 12.522 ( 10.523 -0.000 -8.044) 13.245 12.973 ( -8.561 0.000 1.449) 8.683 13.011 ( 7.768 -0.000 -7.661) 10.911 13.440 ( 5.383 -0.000 8.525) 10.082 13.932 ( 6.222 -0.000 -1.996) 6.534 14.282 ( -8.238 0.000 1.459) 8.366 17.213 ( 2.291 -0.000 -7.796) 8.126 ======================= Grid point 502 (235/468) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 15.588 -0.000 21.397) 26.473 2.114 ( 0.474 -0.000 16.930) 16.936 2.864 ( -0.218 0.000 11.416) 11.419 4.063 ( 5.345 -0.000 -4.881) 7.238 4.084 ( 0.500 -0.000 -2.285) 2.340 4.323 ( -14.032 0.000 7.766) 16.038 4.629 ( -2.460 0.000 -8.288) 8.646 4.897 ( -4.864 0.000 0.254) 4.871 5.641 ( -4.043 0.000 3.251) 5.188 5.679 ( 0.695 -0.000 -19.282) 19.295 5.946 ( -0.386 0.000 5.950) 5.963 6.345 ( 1.633 -0.000 1.067) 1.951 6.478 ( 5.043 -0.000 -0.489) 5.067 6.537 ( -0.809 0.000 -4.681) 4.750 8.036 ( -1.259 0.000 4.094) 4.283 8.206 ( -0.940 0.000 11.591) 11.629 8.646 ( 5.649 -0.000 -3.180) 6.482 8.683 ( -9.355 0.000 -0.856) 9.394 9.278 ( 5.010 -0.000 -2.995) 5.837 9.443 ( -12.948 0.000 -4.263) 13.632 9.691 ( 11.426 -0.000 -4.225) 12.182 9.928 ( 9.109 -0.000 -6.346) 11.102 10.222 ( 4.201 -0.000 6.986) 8.152 10.457 ( -8.401 0.000 4.501) 9.531 10.540 ( -2.616 0.000 6.320) 6.839 10.743 ( 4.776 -0.000 -2.806) 5.539 11.293 ( 7.819 -0.000 3.450) 8.546 11.679 ( -10.008 0.000 9.055) 13.497 12.215 ( -8.674 0.000 -11.687) 14.554 12.230 ( -1.727 0.000 -5.443) 5.710 12.747 ( 17.078 -0.000 -7.087) 18.490 13.150 ( -6.341 0.000 20.915) 21.855 13.708 ( -7.003 0.000 -14.184) 15.819 13.821 ( -11.554 0.000 9.176) 14.754 14.265 ( 16.883 -0.000 3.009) 17.149 16.606 ( 0.546 -0.000 -19.798) 19.806 ======================= Grid point 503 (236/468) ======================= q-point: ( 0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( 3.498 2.056 11.361) 12.064 2.397 ( 7.124 -3.258 11.793) 14.158 3.102 ( 11.595 -6.162 8.696) 15.749 3.947 ( -11.806 5.565 -4.675) 13.863 4.019 ( 0.081 -0.077 -5.807) 5.808 4.322 ( 0.123 3.145 7.273) 7.925 4.595 ( -4.263 -11.842 0.260) 12.589 4.803 ( -2.128 7.118 -2.097) 7.719 5.411 ( 2.563 5.484 -18.852) 19.800 5.632 ( -2.560 -6.287 -2.008) 7.079 6.031 ( 3.209 2.595 5.464) 6.847 6.323 ( 1.485 7.060 -0.045) 7.215 6.464 ( 0.974 1.695 -3.728) 4.210 6.598 ( 1.562 -12.213 -1.265) 12.377 7.949 ( -8.453 3.078 -4.263) 9.955 8.351 ( -0.984 -2.407 11.314) 11.609 8.606 ( 3.103 4.401 -6.382) 8.351 8.710 ( -0.374 -0.323 8.804) 8.818 9.185 ( -6.902 0.429 0.306) 6.922 9.452 ( 8.278 0.225 -0.125) 8.282 9.719 ( 6.653 2.467 -6.898) 9.896 9.964 ( 7.200 -2.822 -5.544) 9.515 10.343 ( -1.707 6.572 9.489) 11.668 10.475 ( -4.514 -5.998 11.661) 13.868 10.573 ( -4.314 -1.354 4.771) 6.573 10.779 ( 3.748 -3.615 -2.086) 5.610 11.389 ( -0.249 -0.869 1.944) 2.144 11.659 ( -13.060 3.241 11.055) 17.416 11.942 ( -0.955 5.192 -12.130) 13.229 12.107 ( -2.383 -4.187 -13.076) 13.935 12.896 ( 16.274 3.705 -3.594) 17.073 13.163 ( -12.188 -3.185 -4.329) 13.320 13.627 ( 1.940 2.548 11.669) 12.100 13.780 ( -14.250 -5.646 6.190) 16.530 14.552 ( 17.848 -1.552 6.535) 19.070 16.339 ( 2.333 2.845 -23.435) 23.722 ======================= Grid point 504 (237/468) ======================= q-point: ( 0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 1.746 1.561 5.582) 6.054 2.600 ( 7.100 -0.818 4.811) 8.615 3.369 ( 6.711 -4.203 4.694) 9.205 3.675 ( -11.855 4.491 -5.610) 13.862 3.912 ( -8.004 -8.722 -9.250) 15.023 4.409 ( 5.246 5.012 6.459) 9.713 4.628 ( -4.287 2.205 1.241) 4.978 4.783 ( 5.168 -8.570 1.370) 10.101 5.215 ( 4.735 5.578 -12.610) 14.579 5.653 ( 2.791 -2.594 -1.431) 4.070 6.084 ( 2.973 6.846 3.089) 8.077 6.296 ( 1.339 1.734 -0.686) 2.295 6.436 ( 0.574 0.133 -0.821) 1.011 6.667 ( -0.283 -8.946 -3.778) 9.715 7.765 ( -7.696 0.658 -3.490) 8.476 8.470 ( -1.151 2.494 -11.663) 11.982 8.491 ( -2.115 -4.168 9.330) 10.435 8.802 ( 0.284 6.977 7.560) 10.291 9.197 ( -2.237 -3.236 7.285) 8.279 9.519 ( 11.749 6.690 -4.957) 14.400 9.682 ( 3.798 2.328 -5.086) 6.762 10.027 ( 5.096 -5.264 -2.778) 7.836 10.335 ( -5.750 7.199 9.831) 13.473 10.552 ( -8.841 -1.341 3.185) 9.492 10.684 ( -0.190 -3.277 14.349) 14.719 10.875 ( 3.152 -7.586 3.998) 9.136 11.309 ( -7.329 4.336 -3.490) 9.203 11.559 ( -10.220 2.446 3.849) 11.192 11.860 ( -1.730 -0.440 -1.504) 2.334 11.974 ( 5.859 -1.563 -11.506) 13.006 12.801 ( -5.177 0.568 -15.259) 16.123 13.137 ( 7.767 -5.212 -2.782) 9.759 13.665 ( -12.538 -0.023 6.671) 14.202 13.888 ( 2.197 -0.518 16.233) 16.389 14.877 ( 15.508 0.248 9.784) 18.338 16.048 ( 5.019 2.461 -25.736) 26.336 ======================= Grid point 505 (238/468) ======================= q-point: (-0.73 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -1.697 2.847 3.054) 4.506 2.704 ( 5.743 3.638 -0.324) 6.806 3.394 ( -2.507 8.645 0.170) 9.003 3.500 ( -9.664 -7.935 -3.071) 12.876 3.771 ( -11.806 -17.540 -10.099) 23.431 4.510 ( 3.527 5.736 6.747) 9.532 4.591 ( 7.739 0.862 -5.730) 9.668 4.991 ( 6.663 -9.113 1.256) 11.359 5.110 ( 0.820 5.893 0.189) 5.953 5.684 ( 6.428 4.418 -2.234) 8.113 6.088 ( 1.394 6.032 2.671) 6.743 6.321 ( 4.408 -1.661 -0.493) 4.737 6.445 ( -1.119 -0.004 2.016) 2.305 6.660 ( -1.024 -4.786 -3.982) 6.310 7.695 ( -2.822 -6.428 -1.165) 7.116 8.263 ( -5.525 1.697 -10.824) 12.270 8.600 ( -2.182 -5.365 5.694) 8.122 8.791 ( -1.413 10.334 4.455) 11.341 9.255 ( -6.312 -4.875 2.149) 8.259 9.561 ( 16.255 10.217 -3.920) 19.595 9.638 ( 1.740 3.517 -3.323) 5.142 10.074 ( 1.046 -1.608 -1.735) 2.586 10.358 ( -4.518 5.000 11.608) 13.422 10.475 ( -8.527 -0.856 2.195) 8.847 10.820 ( 1.163 1.768 4.372) 4.857 11.002 ( -9.184 -5.843 4.361) 11.727 11.206 ( 4.575 -0.121 2.673) 5.300 11.504 ( -5.731 -5.834 0.378) 8.186 11.784 ( -3.485 3.616 1.014) 5.124 12.014 ( 7.136 -0.959 -1.806) 7.423 12.572 ( 0.811 -5.813 -17.406) 18.369 13.191 ( -7.694 -5.839 1.682) 9.804 13.629 ( 1.990 4.200 2.347) 5.206 14.103 ( 0.958 0.287 13.794) 13.830 15.109 ( 8.301 9.465 5.717) 13.827 15.844 ( 10.762 -5.203 -20.192) 23.465 ======================= Grid point 506 (239/468) ======================= q-point: (-0.64 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( -5.914 5.346 3.326) 8.638 2.642 ( -2.409 9.285 -4.151) 10.452 3.312 ( 1.037 2.531 -2.274) 3.557 3.439 ( -9.774 -7.455 2.829) 12.614 3.673 ( -11.516 -20.605 -8.355) 25.039 4.555 ( -1.028 6.268 6.854) 9.345 4.632 ( 10.945 -1.661 -10.184) 15.042 5.006 ( 2.744 6.042 0.402) 6.648 5.210 ( 2.234 -2.887 3.568) 5.104 5.696 ( 5.907 6.102 0.012) 8.493 6.077 ( -1.481 3.789 1.579) 4.364 6.410 ( 6.288 -0.663 0.843) 6.379 6.458 ( 0.904 2.024 2.981) 3.715 6.663 ( 0.572 -6.327 -1.796) 6.601 7.747 ( 0.699 -10.716 -2.644) 11.059 8.069 ( -7.614 -0.614 -3.978) 8.612 8.666 ( -3.001 -4.593 3.195) 6.349 8.708 ( -4.024 10.162 1.671) 11.057 9.206 ( -5.412 -4.528 -2.758) 7.576 9.552 ( -1.165 7.741 2.812) 8.318 9.663 ( 14.899 6.435 -5.951) 17.287 10.045 ( -1.568 0.906 -2.114) 2.783 10.353 ( -7.042 -0.739 2.569) 7.532 10.466 ( -3.902 3.356 9.549) 10.848 10.736 ( -5.609 4.856 -6.337) 9.757 11.011 ( 2.133 -2.405 3.018) 4.409 11.394 ( 6.010 -10.255 0.689) 11.906 11.455 ( -6.649 -3.889 -3.125) 8.313 11.801 ( 3.919 6.542 8.856) 11.687 12.051 ( 0.122 -4.336 -3.025) 5.289 12.564 ( 10.763 -5.075 -2.286) 12.117 13.111 ( -15.390 -5.970 2.929) 16.765 13.673 ( 8.091 6.122 -0.568) 10.162 14.231 ( -1.480 0.576 6.889) 7.070 15.021 ( 3.281 17.410 -8.357) 19.589 15.952 ( 13.688 -12.270 -2.694) 18.579 ======================= Grid point 507 (240/468) ======================= q-point: (-0.55 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -11.790 8.176 2.955) 14.648 2.419 ( -10.339 11.143 -2.725) 15.443 3.314 ( 4.144 0.461 -1.826) 4.552 3.455 ( -6.508 -9.878 4.553) 12.675 3.630 ( -10.852 -17.281 -2.928) 20.615 4.541 ( -3.519 7.536 5.480) 9.960 4.640 ( 8.969 3.742 -5.412) 11.124 5.044 ( 2.959 -4.226 0.285) 5.166 5.234 ( 1.147 4.591 -0.691) 4.783 5.722 ( -0.489 2.741 3.832) 4.737 6.000 ( -5.211 5.007 -1.847) 7.459 6.475 ( 5.451 2.748 -1.141) 6.210 6.532 ( 7.567 1.038 1.612) 7.806 6.743 ( 1.382 -6.851 3.816) 7.963 7.738 ( -2.913 -6.127 -8.150) 10.604 8.073 ( -3.077 -9.356 7.846) 12.592 8.564 ( -6.515 7.840 -1.173) 10.260 8.699 ( -0.660 -2.204 2.561) 3.442 9.147 ( -3.224 -4.551 -4.269) 7.024 9.552 ( -0.083 5.472 8.248) 9.899 9.682 ( 6.523 1.634 -7.364) 9.973 9.988 ( -0.660 3.729 -0.752) 3.861 10.311 ( -4.537 -2.728 0.459) 5.313 10.486 ( -6.315 2.101 0.361) 6.665 10.556 ( 0.858 4.010 -2.781) 4.955 11.122 ( 7.346 3.973 4.063) 9.287 11.267 ( -7.127 -4.077 -15.608) 17.636 11.510 ( 1.662 -9.844 -4.175) 10.821 11.972 ( 6.954 4.480 7.920) 11.452 12.102 ( 5.886 -3.462 6.022) 9.104 12.756 ( 4.133 -1.969 5.747) 7.348 13.049 ( -6.108 -4.380 5.842) 9.520 13.672 ( 3.740 5.337 -4.572) 7.961 14.200 ( -3.348 2.983 -5.020) 6.730 14.817 ( 3.054 15.922 -4.743) 16.892 16.231 ( 10.586 -13.131 3.773) 17.283 ======================= Grid point 508 (241/468) ======================= q-point: (-0.45 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -19.382 8.536 -1.771) 21.253 2.182 ( -13.110 12.472 5.147) 18.813 3.324 ( 2.300 6.521 0.468) 6.930 3.571 ( -5.555 -8.645 1.256) 10.352 3.592 ( -9.481 -13.794 7.848) 18.486 4.519 ( -1.167 3.510 3.814) 5.314 4.681 ( 9.186 5.523 1.111) 10.776 5.141 ( -0.322 -15.605 -1.472) 15.678 5.173 ( 2.234 11.124 -0.582) 11.361 5.727 ( -6.704 -0.514 6.075) 9.062 5.815 ( -9.102 7.838 -4.128) 12.701 6.478 ( 5.513 4.963 -3.804) 8.337 6.636 ( 7.129 -2.465 -0.820) 7.587 6.889 ( 3.440 -2.568 5.466) 6.950 7.651 ( -7.017 -5.443 -1.802) 9.062 8.236 ( 2.108 -5.422 5.446) 7.969 8.405 ( -4.301 3.391 -4.036) 6.803 8.786 ( 2.992 -4.480 4.507) 7.024 9.094 ( -2.780 -4.086 -4.251) 6.519 9.623 ( -2.741 -2.934 -3.989) 5.660 9.660 ( 1.839 0.112 9.546) 9.722 9.949 ( -0.506 5.917 1.578) 6.145 10.287 ( -0.193 0.302 -4.874) 4.887 10.342 ( -3.042 -1.774 -3.258) 4.797 10.613 ( 6.510 2.131 3.125) 7.529 10.942 ( -6.329 2.532 -20.824) 21.911 11.221 ( 3.397 2.682 3.650) 5.662 11.589 ( 6.154 -7.702 -2.405) 10.148 12.027 ( 4.488 -1.732 -5.557) 7.350 12.362 ( 4.624 3.380 16.293) 17.271 12.784 ( -1.742 -1.111 0.490) 2.123 13.185 ( 5.204 1.163 7.471) 9.179 13.553 ( -1.923 4.516 -8.429) 9.754 14.023 ( -0.619 4.789 -10.404) 11.470 14.714 ( -0.593 12.038 3.223) 12.476 16.510 ( 6.608 -14.325 4.500) 16.404 ======================= Grid point 509 (242/468) ======================= q-point: (-0.36 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -22.366 10.048 -1.724) 24.580 1.994 ( -15.206 12.868 10.141) 22.352 3.227 ( -11.708 23.595 13.535) 29.614 3.528 ( -2.759 -15.611 -6.122) 16.994 3.849 ( 0.668 -15.888 13.528) 20.877 4.520 ( -0.246 0.782 0.008) 0.820 4.796 ( 7.062 6.907 6.768) 11.974 5.093 ( 2.463 4.917 -3.864) 6.721 5.284 ( 0.690 -15.204 2.602) 15.441 5.566 ( -10.741 7.737 -3.850) 13.786 5.729 ( -7.130 0.010 8.113) 10.801 6.442 ( 4.462 5.332 -4.283) 8.166 6.728 ( 3.567 -4.991 -0.980) 6.212 6.931 ( 0.153 2.172 -4.066) 4.613 7.641 ( -6.076 -4.687 6.686) 10.178 8.215 ( -2.514 9.413 -0.650) 9.765 8.448 ( 7.967 -10.713 -1.660) 13.454 8.903 ( 2.177 -4.301 -0.084) 4.821 9.030 ( -2.968 -0.656 -3.574) 4.692 9.619 ( -2.596 -10.047 2.205) 10.609 9.835 ( 1.890 -1.512 12.362) 12.596 9.899 ( -3.149 3.801 0.614) 4.974 10.193 ( 5.358 0.993 -10.660) 11.972 10.375 ( 0.918 -0.701 4.420) 4.569 10.570 ( -10.342 1.489 -15.750) 18.901 10.740 ( 12.476 2.291 -0.720) 12.705 11.279 ( 4.197 3.777 3.136) 6.459 11.694 ( 7.564 0.371 -3.453) 8.323 11.978 ( 1.591 -5.213 -11.978) 13.159 12.446 ( -11.215 2.743 9.174) 14.746 12.846 ( 10.999 1.292 -2.596) 11.375 13.227 ( 0.870 6.035 -0.389) 6.110 13.430 ( -0.278 4.189 -0.658) 4.249 13.902 ( 2.763 2.581 -5.701) 6.842 14.644 ( -4.756 10.208 5.416) 12.497 16.742 ( 2.829 -15.768 2.142) 16.163 ======================= Grid point 510 (243/468) ======================= q-point: (-0.27 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -18.318 14.393 5.164) 23.861 1.850 ( -14.639 13.015 15.479) 24.966 3.033 ( -18.513 22.229 19.256) 34.751 3.614 ( 4.791 -17.361 -5.876) 18.944 4.142 ( 0.926 -10.300 8.658) 13.488 4.541 ( -0.868 -4.414 5.687) 7.251 4.792 ( -4.620 3.110 -4.474) 7.144 5.122 ( 6.498 4.933 6.315) 10.317 5.357 ( -6.649 5.575 -1.128) 8.750 5.465 ( 1.572 -10.387 4.531) 11.441 5.761 ( -2.061 0.401 6.958) 7.268 6.406 ( 3.273 3.243 -2.653) 5.317 6.754 ( -0.030 2.180 -5.354) 5.781 6.790 ( -4.759 -1.727 -6.726) 8.419 7.726 ( -3.043 -3.336 9.431) 10.456 8.113 ( -1.436 8.377 0.906) 8.548 8.601 ( 4.126 -9.852 -5.058) 11.818 8.895 ( 2.617 -0.687 -2.529) 3.703 9.019 ( 1.152 -2.718 1.928) 3.526 9.727 ( 0.970 -13.265 -4.869) 14.164 9.796 ( -4.899 6.370 -3.214) 8.654 9.987 ( 1.678 5.145 7.951) 9.618 10.147 ( 3.081 -1.446 -3.950) 5.214 10.350 ( -3.287 -4.921 -2.793) 6.543 10.470 ( 2.029 -0.702 4.737) 5.200 10.856 ( 12.551 3.567 -2.330) 13.254 11.285 ( 3.721 9.912 -11.452) 15.596 11.596 ( 1.174 8.597 -1.965) 8.897 11.979 ( 0.123 -13.302 -2.971) 13.630 12.363 ( -9.024 1.242 3.589) 9.790 12.894 ( 8.713 1.049 -5.982) 10.620 13.150 ( -7.253 4.157 -1.284) 8.458 13.470 ( 6.355 3.047 6.574) 9.638 13.886 ( 5.589 2.892 -2.377) 6.727 14.540 ( -7.197 10.369 3.306) 13.048 16.889 ( 0.018 -15.335 -3.195) 15.664 ======================= Grid point 511 (244/468) ======================= q-point: (-0.18 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -1.265 13.775 19.989) 24.308 1.816 ( -9.932 10.462 20.175) 24.802 2.887 ( -17.737 13.733 18.268) 28.930 3.775 ( 7.076 -15.657 -3.625) 17.560 4.209 ( 0.917 3.235 -0.973) 3.500 4.574 ( -11.187 1.154 -2.791) 11.587 4.744 ( -4.364 -15.374 7.292) 17.566 5.090 ( -1.468 7.711 -8.166) 11.327 5.457 ( 5.655 -2.811 16.821) 17.967 5.585 ( -0.919 0.586 8.858) 8.925 5.825 ( 3.267 -3.836 -2.177) 5.489 6.410 ( 3.703 5.445 1.120) 6.679 6.562 ( -2.339 3.807 -10.318) 11.244 6.722 ( -4.714 -3.341 -4.390) 7.256 7.840 ( -2.123 -2.152 9.714) 10.174 8.063 ( -0.716 7.439 4.589) 8.770 8.577 ( 0.032 -2.613 -5.307) 5.915 8.963 ( -1.443 -12.195 -3.753) 12.840 9.145 ( 9.066 -3.600 2.233) 10.007 9.535 ( -1.517 8.914 -10.129) 13.578 9.803 ( 2.718 -6.668 -4.149) 8.311 10.025 ( 3.701 6.437 3.556) 8.232 10.167 ( -9.945 -1.698 1.689) 10.229 10.368 ( 3.317 -7.990 -4.957) 9.970 10.550 ( -1.051 -0.490 4.329) 4.482 10.906 ( 0.793 12.595 -11.235) 16.897 10.983 ( 13.356 10.450 -3.735) 17.365 11.675 ( 1.870 -1.288 5.535) 5.983 12.061 ( -6.733 -8.126 9.222) 14.015 12.342 ( 4.985 -2.236 -3.238) 6.351 12.927 ( 4.186 -0.241 -1.233) 4.371 12.954 ( -11.131 2.280 -5.579) 12.658 13.631 ( 3.535 -1.078 8.283) 9.070 13.928 ( 8.723 2.844 -0.935) 9.223 14.356 ( -8.575 11.949 -2.063) 14.852 16.914 ( -1.245 -11.142 -9.892) 14.951 ======================= Grid point 512 (245/468) ======================= q-point: (-0.09 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 15.002 3.980 26.112) 30.376 1.921 ( -3.912 5.717 20.715) 21.843 2.816 ( -12.306 6.501 14.773) 20.297 3.950 ( 7.043 -12.256 -2.308) 14.323 4.148 ( 2.997 8.391 -3.537) 9.587 4.417 ( -15.101 -4.913 2.689) 16.107 4.814 ( -4.788 4.290 -3.434) 7.288 4.918 ( -3.134 -4.496 -3.249) 6.371 5.618 ( -1.431 2.770 7.276) 7.916 5.796 ( 1.035 -6.187 5.238) 8.173 5.840 ( 3.161 -5.040 -0.828) 6.007 6.343 ( -2.427 5.949 -1.802) 6.673 6.473 ( 6.206 3.005 -5.168) 8.617 6.625 ( -3.061 -0.235 -5.049) 5.909 7.946 ( -1.506 -0.846 9.393) 9.550 8.096 ( -0.060 3.289 8.689) 9.291 8.587 ( 5.065 -2.240 -2.019) 5.895 8.884 ( -12.312 -8.321 -9.207) 17.481 9.227 ( 6.406 4.800 -0.744) 8.039 9.531 ( 11.936 -3.111 -0.727) 12.356 9.767 ( -11.813 -4.950 -11.323) 17.095 9.923 ( 1.525 5.437 -6.700) 8.762 10.106 ( 5.134 2.877 3.701) 6.952 10.461 ( 0.288 -4.940 4.228) 6.509 10.532 ( -5.704 1.964 1.759) 6.284 10.744 ( 4.060 8.827 -1.706) 9.865 11.132 ( 13.218 1.734 1.852) 13.459 11.701 ( -7.081 -0.555 4.708) 8.521 12.195 ( -2.572 -6.960 7.648) 10.656 12.387 ( 4.649 -0.486 -6.080) 7.670 12.740 ( -1.879 1.440 -9.027) 9.332 12.990 ( -1.261 -0.304 9.429) 9.518 13.757 ( -3.977 -6.964 6.166) 10.116 14.008 ( 0.364 4.550 -1.644) 4.852 14.107 ( 2.634 9.926 -4.524) 11.221 16.809 ( -0.831 -5.037 -15.456) 16.277 ======================= Grid point 514 (246/468) ======================= q-point: ( 0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.446 ( 2.232 -0.000 5.973) 6.377 2.588 ( 8.524 -0.000 5.135) 9.951 3.305 ( 8.001 -0.000 5.550) 9.738 3.749 ( -13.772 0.000 -4.861) 14.605 3.827 ( -5.942 0.000 -15.897) 16.971 4.500 ( 4.280 -0.000 10.826) 11.641 4.543 ( -5.281 0.000 9.734) 11.075 4.761 ( 1.558 -0.000 -7.922) 8.074 5.262 ( 5.669 -0.000 -14.787) 15.836 5.630 ( 5.739 -0.000 2.327) 6.192 6.144 ( 2.024 -0.000 4.326) 4.776 6.342 ( 1.344 -0.000 -4.468) 4.666 6.488 ( -0.372 0.000 -3.277) 3.298 6.503 ( 1.638 -0.000 0.652) 1.763 7.778 ( -9.021 0.000 -5.387) 10.507 8.450 ( -2.082 0.000 9.256) 9.487 8.490 ( -4.975 0.000 -9.511) 10.733 8.880 ( 3.774 -0.000 8.064) 8.904 9.157 ( -3.962 0.000 5.943) 7.143 9.603 ( 13.619 -0.000 -0.116) 13.620 9.695 ( 3.632 -0.000 -7.601) 8.424 9.960 ( 6.599 -0.000 -5.691) 8.714 10.448 ( -8.934 0.000 11.199) 14.326 10.507 ( -8.008 0.000 6.745) 10.470 10.648 ( 4.691 -0.000 12.343) 13.205 10.798 ( 0.811 -0.000 2.572) 2.697 11.343 ( -6.522 0.000 -1.434) 6.678 11.602 ( -14.718 0.000 2.191) 14.880 11.842 ( 0.651 -0.000 -4.603) 4.649 11.959 ( 7.627 -0.000 -10.489) 12.969 12.813 ( -11.377 0.000 -17.825) 21.146 13.081 ( 8.201 -0.000 1.354) 8.312 13.671 ( -8.350 0.000 4.710) 9.586 13.882 ( 2.024 -0.000 17.880) 17.994 14.877 ( 16.757 -0.000 11.244) 20.180 16.072 ( 3.864 -0.000 -27.052) 27.327 ======================= Grid point 515 (247/468) ======================= q-point: ( 0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 0.276 2.559 3.781) 4.574 2.734 ( 9.830 0.412 -0.405) 9.847 3.389 ( -7.926 -4.222 1.808) 9.161 3.503 ( -4.401 1.330 -13.017) 13.805 3.562 ( -11.581 -3.916 -7.544) 14.366 4.572 ( -5.404 0.260 3.077) 6.224 4.645 ( 7.722 7.149 2.219) 10.754 4.806 ( 5.826 -10.557 5.262) 13.156 5.196 ( 4.290 2.785 -4.301) 6.682 5.775 ( 11.798 4.211 2.657) 12.805 6.171 ( -0.825 2.972 1.217) 3.315 6.303 ( 2.602 -0.574 -3.566) 4.452 6.443 ( 0.003 0.612 0.045) 0.613 6.559 ( 0.866 -5.446 -2.012) 5.870 7.638 ( -5.563 -1.073 -1.922) 5.982 8.282 ( -8.255 0.494 -9.292) 12.439 8.528 ( -2.925 -2.361 6.520) 7.526 8.932 ( -1.543 4.468 1.908) 5.097 9.210 ( -3.236 -0.452 6.300) 7.097 9.642 ( 1.691 -0.178 -5.468) 5.726 9.731 ( 13.991 6.311 -3.588) 15.763 10.009 ( 6.469 -4.212 -3.686) 8.554 10.452 ( -5.478 4.587 7.238) 10.171 10.489 ( -5.533 1.490 6.882) 8.956 10.818 ( -3.832 -0.764 8.962) 9.777 10.883 ( -2.811 -6.185 6.654) 9.510 11.236 ( -3.623 2.842 -0.377) 4.620 11.418 ( -5.804 -3.840 -7.986) 10.593 11.845 ( 0.543 2.686 4.590) 5.346 12.002 ( 7.178 -0.524 -0.896) 7.253 12.489 ( -2.776 -3.027 -18.507) 18.957 13.116 ( -9.571 -2.424 4.054) 10.673 13.695 ( 6.405 2.513 1.854) 7.126 14.096 ( 0.420 -0.634 13.051) 13.073 15.219 ( 12.357 3.274 14.086) 19.022 15.785 ( 6.356 -1.681 -27.883) 28.647 ======================= Grid point 516 (248/468) ======================= q-point: (-0.73 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( -2.380 5.168 3.024) 6.444 2.772 ( 4.967 5.881 -6.458) 10.049 3.220 ( -8.182 -8.019 -9.681) 14.999 3.359 ( -14.445 -13.922 -3.484) 20.362 3.466 ( -2.166 4.397 3.489) 6.017 4.507 ( 1.123 -5.777 -10.125) 11.712 4.726 ( 5.199 8.790 6.879) 12.313 5.035 ( 5.127 -6.009 5.144) 9.426 5.214 ( 0.733 4.735 7.383) 8.802 5.844 ( 8.915 10.121 -2.668) 13.749 6.134 ( -2.815 2.812 0.808) 4.060 6.371 ( 6.629 -5.799 0.660) 8.832 6.463 ( 0.094 -0.198 2.595) 2.604 6.567 ( 1.473 -3.484 -3.969) 5.483 7.617 ( -1.400 -4.533 1.040) 4.857 8.067 ( -9.470 0.157 -5.865) 11.140 8.579 ( -3.954 -3.906 4.208) 6.971 8.849 ( -5.651 3.701 -1.490) 6.917 9.202 ( -3.251 5.025 2.707) 6.569 9.600 ( -1.508 -1.362 -1.700) 2.650 9.781 ( 11.452 4.733 -7.096) 14.279 10.051 ( 4.090 0.216 -2.750) 4.933 10.372 ( -7.941 5.266 1.776) 9.692 10.541 ( -3.726 4.007 10.672) 11.993 10.803 ( -9.108 -0.380 -6.621) 11.267 10.913 ( 3.833 -5.609 2.516) 7.245 11.261 ( 2.902 -4.602 0.145) 5.442 11.352 ( -3.715 -6.754 -3.240) 8.362 11.943 ( 3.852 8.162 13.353) 16.117 12.006 ( 0.123 -1.136 -5.781) 5.893 12.462 ( 12.865 -6.219 -1.506) 14.369 13.028 ( -14.725 -3.549 3.885) 15.637 13.777 ( 8.502 5.394 -0.219) 10.072 14.220 ( -1.374 -1.527 5.877) 6.225 15.297 ( 5.463 14.725 -10.357) 18.813 15.748 ( 10.548 -11.727 -0.692) 15.788 ======================= Grid point 517 (249/468) ======================= q-point: (-0.64 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( -6.546 6.761 -1.504) 9.531 2.607 ( -4.409 10.798 -4.996) 12.689 3.161 ( -1.071 -13.216 -7.914) 15.442 3.282 ( -14.516 -13.359 2.448) 19.879 3.502 ( 1.490 2.036 7.509) 7.922 4.468 ( 1.027 -12.161 -9.755) 15.623 4.788 ( 3.928 11.980 7.819) 14.835 5.116 ( 1.212 8.647 3.161) 9.286 5.293 ( 0.534 2.190 7.496) 7.827 5.797 ( -0.158 5.210 -2.390) 5.734 6.068 ( -3.546 3.641 -1.175) 5.216 6.506 ( 4.480 1.228 2.005) 5.059 6.537 ( 5.161 -3.411 3.519) 7.118 6.591 ( 3.636 -7.559 -2.793) 8.841 7.652 ( -1.616 -3.760 -1.793) 4.468 7.950 ( -6.673 -4.918 3.582) 9.031 8.595 ( -5.406 -2.985 2.146) 6.538 8.719 ( -5.280 2.089 -2.312) 6.130 9.133 ( -3.179 4.850 0.189) 5.802 9.605 ( 0.712 -0.768 1.776) 2.062 9.735 ( 1.851 3.529 -7.592) 8.574 10.063 ( 5.167 4.586 -0.915) 6.969 10.257 ( -7.924 -0.877 0.633) 7.998 10.509 ( -8.596 0.495 -3.928) 9.464 10.652 ( 2.414 6.149 -0.976) 6.678 11.035 ( 1.543 -9.325 -3.667) 10.139 11.276 ( -0.694 -7.732 -8.618) 11.599 11.352 ( 3.802 1.072 0.920) 4.056 11.936 ( 1.873 -4.962 -4.706) 7.090 12.198 ( 10.893 9.654 19.134) 24.041 12.716 ( 8.544 -2.586 5.948) 10.726 12.965 ( -6.074 -5.085 6.337) 10.144 13.776 ( 3.185 6.316 -4.300) 8.278 14.218 ( -3.866 -0.716 -3.129) 5.025 15.070 ( 6.190 13.057 -13.748) 19.945 16.026 ( 6.616 -10.431 9.119) 15.354 ======================= Grid point 518 (250/468) ======================= q-point: (-0.55 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.179 ( -12.070 8.433 -6.368) 16.042 2.415 ( -8.175 14.486 3.484) 16.994 3.153 ( -1.592 -16.445 -10.318) 19.479 3.344 ( -6.645 -13.188 10.453) 18.093 3.618 ( 1.746 4.000 9.162) 10.148 4.519 ( 1.710 -14.598 -2.467) 14.904 4.779 ( -0.438 16.285 4.952) 17.027 5.059 ( 0.058 6.578 1.153) 6.678 5.354 ( 0.468 7.939 6.749) 10.431 5.717 ( -6.540 -0.673 1.540) 6.752 5.931 ( -7.513 5.686 -4.131) 10.288 6.547 ( 3.832 3.157 -0.946) 5.054 6.608 ( 6.897 -0.540 -3.457) 7.734 6.765 ( 3.764 -11.113 4.255) 12.481 7.591 ( -6.339 -1.478 0.044) 6.510 8.075 ( 1.273 -10.822 7.207) 13.065 8.508 ( -5.339 5.175 -2.206) 7.756 8.693 ( -1.407 -5.924 1.359) 6.239 9.060 ( -4.136 1.481 0.121) 4.395 9.596 ( 0.283 -0.513 -9.541) 9.559 9.678 ( -2.079 1.710 7.919) 8.364 10.067 ( 1.808 6.336 1.146) 6.688 10.229 ( -2.720 -5.685 1.279) 6.430 10.331 ( -0.932 0.853 -10.398) 10.475 10.669 ( 3.669 3.993 2.522) 5.980 10.911 ( -6.708 -4.419 -16.683) 18.516 11.311 ( 6.996 -1.243 -0.434) 7.119 11.415 ( 5.395 -3.223 -0.946) 6.355 11.981 ( 5.157 -4.287 -3.867) 7.741 12.469 ( 4.441 7.290 15.640) 17.818 12.778 ( 2.538 1.210 1.858) 3.370 13.173 ( 8.901 -2.476 9.597) 13.321 13.647 ( -1.797 6.135 -7.804) 10.088 14.071 ( -4.243 0.886 -10.098) 10.989 14.918 ( 3.883 11.127 -4.758) 12.709 16.287 ( 2.269 -11.229 8.646) 14.352 ======================= Grid point 519 (251/468) ======================= q-point: (-0.45 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -13.380 13.016 -2.706) 18.862 2.236 ( -10.657 15.463 7.604) 20.261 3.180 ( 0.999 -17.752 -7.583) 19.330 3.568 ( -2.149 -16.124 12.999) 20.823 3.634 ( -6.477 14.422 9.245) 18.314 4.600 ( -2.942 10.458 2.440) 11.134 4.766 ( 5.137 -17.068 1.998) 17.936 5.047 ( 0.378 5.925 1.997) 6.264 5.333 ( -0.502 10.501 5.030) 11.654 5.687 ( -11.757 6.552 -5.813) 14.661 5.719 ( -5.580 -1.595 8.599) 10.375 6.530 ( 3.524 4.550 -3.850) 6.924 6.653 ( 4.073 -2.753 -2.784) 5.650 6.882 ( 0.874 -7.504 -4.526) 8.807 7.585 ( -5.118 -2.110 8.686) 10.300 8.263 ( 3.107 -10.896 -0.667) 11.350 8.377 ( -0.342 8.554 -0.061) 8.562 8.770 ( -0.999 -9.993 0.319) 10.048 9.017 ( -3.966 -0.395 2.380) 4.642 9.502 ( -1.620 -3.308 -5.369) 6.511 9.764 ( -2.901 -2.923 9.848) 10.674 10.039 ( 1.792 7.434 1.901) 7.880 10.218 ( 4.882 1.705 -9.583) 10.889 10.317 ( 1.997 -4.929 3.810) 6.542 10.592 ( -11.571 1.382 -10.515) 15.696 10.770 ( 10.951 0.686 -3.253) 11.445 11.377 ( 5.987 5.709 0.809) 8.312 11.541 ( 7.980 -11.272 -2.582) 14.050 11.982 ( 3.129 0.716 -8.974) 9.531 12.503 ( -8.963 3.276 5.052) 10.798 12.886 ( 11.538 3.993 -1.580) 12.311 13.314 ( 3.823 3.859 0.012) 5.432 13.517 ( 0.521 5.783 -1.239) 5.937 13.919 ( 0.041 -0.449 -6.352) 6.368 14.832 ( -0.824 10.875 1.972) 11.083 16.485 ( -1.685 -13.473 5.540) 14.664 ======================= Grid point 520 (252/468) ======================= q-point: (-0.36 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -9.102 18.642 5.323) 21.418 2.091 ( -10.868 15.059 12.238) 22.241 3.290 ( 5.337 -15.224 -4.969) 16.880 3.457 ( -14.773 19.347 10.518) 26.517 3.863 ( -3.242 -19.150 13.486) 23.645 4.497 ( -3.256 1.069 -1.854) 3.896 4.950 ( -3.304 11.732 -2.952) 12.541 5.077 ( 7.235 -13.883 8.627) 17.875 5.356 ( 3.342 3.292 5.921) 7.554 5.437 ( -9.866 3.520 -3.135) 10.935 5.783 ( -4.074 1.273 9.951) 10.828 6.467 ( 0.932 4.076 -3.766) 5.627 6.676 ( 0.513 -4.912 -3.903) 6.295 6.825 ( 0.843 -0.403 -9.971) 10.015 7.685 ( -2.949 -1.855 11.243) 11.770 8.221 ( -1.887 2.387 -3.290) 4.482 8.457 ( 5.629 -4.822 0.550) 7.432 8.798 ( -3.960 -9.326 -4.546) 11.105 9.030 ( -0.688 2.086 5.879) 6.276 9.490 ( -0.746 -11.641 -5.360) 12.838 9.875 ( -2.576 1.437 8.552) 9.046 10.068 ( 5.032 5.420 5.676) 9.323 10.152 ( 4.432 0.914 -9.582) 10.597 10.332 ( -6.583 1.122 -5.079) 8.390 10.441 ( 2.183 -1.659 4.800) 5.528 10.895 ( 11.736 0.600 -0.877) 11.784 11.402 ( 7.121 5.148 -2.755) 9.209 11.710 ( 8.248 -7.120 -2.616) 11.206 11.803 ( -1.263 3.208 -14.150) 14.564 12.387 ( -11.890 1.858 2.741) 12.343 12.905 ( 7.090 0.452 -7.484) 10.319 13.233 ( -5.727 4.903 -6.252) 9.794 13.531 ( 5.792 4.040 4.747) 8.509 13.929 ( 6.541 1.995 -0.693) 6.874 14.746 ( -3.872 12.804 4.513) 14.118 16.613 ( -4.123 -15.891 0.732) 16.433 ======================= Grid point 521 (253/468) ======================= q-point: (-0.27 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.116 20.096 15.698) 25.501 2.029 ( -7.910 13.719 16.735) 23.040 3.192 ( -12.102 19.683 7.921) 24.426 3.502 ( 3.705 -15.870 2.490) 16.486 4.088 ( -6.775 -15.620 6.105) 18.088 4.488 ( -2.860 -10.165 1.455) 10.659 4.725 ( -4.719 13.700 -5.577) 15.526 5.201 ( -3.421 3.258 -2.800) 5.492 5.436 ( 1.067 -1.438 13.483) 13.601 5.495 ( 6.058 -8.912 2.009) 10.961 5.813 ( -4.101 2.567 4.583) 6.664 6.439 ( 5.205 0.727 -2.028) 5.633 6.652 ( -0.025 -3.630 -5.676) 6.738 6.684 ( -2.077 6.238 -7.082) 9.663 7.811 ( -1.371 -1.584 10.638) 10.842 8.166 ( -1.554 2.742 1.519) 3.499 8.518 ( 2.208 -2.889 -4.855) 6.066 8.756 ( -4.823 -11.158 -5.034) 13.157 9.125 ( 3.811 1.322 8.127) 9.073 9.504 ( 0.540 -11.141 -8.830) 14.226 9.833 ( -1.701 9.737 -0.005) 9.884 10.073 ( -5.583 -1.726 -1.647) 6.071 10.174 ( 1.331 2.916 6.634) 7.368 10.305 ( 6.962 -0.471 -3.204) 7.678 10.529 ( 0.571 -1.599 4.198) 4.528 10.996 ( 10.116 3.288 -3.072) 11.072 11.275 ( 6.368 16.264 -15.792) 23.547 11.657 ( 1.361 -0.158 2.339) 2.710 11.890 ( 1.955 -11.068 2.551) 11.525 12.292 ( -6.101 -2.909 1.124) 6.852 12.911 ( 4.016 -1.554 -3.925) 5.826 13.003 ( -8.901 2.821 -7.558) 12.013 13.632 ( 2.662 1.470 4.430) 5.373 13.990 ( 8.564 4.033 -0.452) 9.477 14.608 ( -5.437 16.506 2.028) 17.497 16.671 ( -3.753 -16.090 -5.525) 17.421 ======================= Grid point 522 (254/468) ======================= q-point: (-0.18 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 9.398 12.097 22.241) 27.006 2.075 ( -3.134 11.062 18.221) 21.545 3.016 ( -8.125 15.602 9.267) 19.883 3.729 ( 5.504 -13.748 3.489) 15.214 4.120 ( -8.545 -9.304 -0.063) 12.633 4.478 ( -2.632 9.725 -5.755) 11.603 4.628 ( -5.219 -14.976 4.998) 16.628 5.041 ( -3.314 9.929 -5.917) 12.024 5.615 ( 5.267 -4.444 1.469) 7.046 5.643 ( -4.129 -13.512 -0.150) 14.129 5.795 ( -0.300 5.283 9.093) 10.521 6.445 ( 1.261 4.067 -10.950) 11.749 6.543 ( 0.098 2.816 -0.925) 2.966 6.630 ( 4.200 2.238 -0.594) 4.796 7.928 ( -3.319 -1.200 10.221) 10.813 8.173 ( -1.242 3.329 6.514) 7.420 8.493 ( 3.959 -7.575 -9.434) 12.730 8.740 ( -5.618 -6.518 -0.437) 8.616 9.267 ( 6.254 -0.241 2.628) 6.787 9.479 ( -0.792 -4.574 -4.445) 6.427 9.728 ( -1.172 3.285 -6.303) 7.204 9.976 ( -6.848 -0.161 -0.883) 6.907 10.185 ( 4.335 5.818 -0.464) 7.271 10.400 ( 6.010 -1.717 2.528) 6.742 10.564 ( -3.468 1.147 3.002) 4.729 10.936 ( 1.742 11.335 -5.354) 12.656 11.201 ( 13.406 6.652 -0.260) 14.968 11.685 ( -5.728 -1.071 3.186) 6.641 12.029 ( -1.084 -11.072 2.013) 11.306 12.323 ( 2.546 -6.691 -1.742) 7.368 12.781 ( -4.728 2.517 -6.499) 8.422 12.977 ( 1.714 -1.354 5.444) 5.866 13.666 ( -2.959 -2.495 0.595) 3.917 14.068 ( 7.490 3.427 1.053) 8.304 14.381 ( -5.003 19.134 -1.754) 19.855 16.651 ( -1.471 -12.684 -12.379) 17.784 ======================= Grid point 523 (255/468) ======================= q-point: (-0.09 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 10.151 1.432 19.907) 22.392 2.206 ( 2.233 7.727 16.145) 18.038 2.973 ( 2.035 11.541 9.193) 14.894 3.942 ( 5.278 -9.763 2.598) 11.398 4.065 ( -9.768 -7.404 -1.762) 12.383 4.324 ( -2.143 6.584 -1.610) 7.109 4.735 ( -6.534 -11.047 3.154) 13.217 4.822 ( -2.142 10.831 -6.746) 12.938 5.551 ( -1.769 -10.084 -15.398) 18.491 5.727 ( 1.472 4.063 2.437) 4.961 5.917 ( -1.600 -3.739 7.351) 8.401 6.283 ( -0.418 1.100 -4.247) 4.407 6.505 ( 1.239 -0.745 -5.631) 5.814 6.660 ( 5.121 10.001 0.853) 11.268 7.997 ( -5.057 -4.022 4.873) 8.093 8.242 ( -0.220 3.237 10.374) 10.869 8.528 ( 4.096 -10.448 -5.749) 12.609 8.713 ( -3.564 1.712 2.390) 4.620 9.288 ( -1.339 -0.390 -5.180) 5.364 9.427 ( -3.848 -0.316 -1.476) 4.134 9.668 ( 7.392 -1.945 -4.894) 9.076 9.951 ( 5.271 1.415 -2.604) 6.047 10.223 ( 2.943 1.282 4.223) 5.304 10.477 ( -5.815 1.122 6.017) 8.442 10.547 ( 0.284 1.472 3.638) 3.935 10.826 ( 1.302 8.198 -2.091) 8.560 11.325 ( 8.605 3.602 2.445) 9.644 11.656 ( -10.959 -2.331 8.336) 13.965 12.048 ( -1.926 -10.801 -10.895) 15.462 12.310 ( -5.798 0.312 -4.553) 7.379 12.736 ( 13.823 -0.495 -6.978) 15.493 13.141 ( -3.236 -1.247 18.236) 18.563 13.614 ( -5.009 -4.731 -5.489) 8.809 13.988 ( -12.368 12.272 1.269) 17.470 14.316 ( 14.845 6.511 2.262) 16.367 16.539 ( 0.712 -7.483 -18.528) 19.995 ======================= Grid point 526 (256/468) ======================= q-point: ( 0.18 -0.82 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.560 ( -0.739 0.000 2.084) 2.212 2.830 ( 10.207 -0.000 -5.586) 11.636 3.137 ( -10.473 0.000 -16.595) 19.623 3.232 ( -17.049 0.000 3.838) 17.475 3.510 ( -1.085 0.000 1.045) 1.506 4.452 ( -0.746 0.000 -12.225) 12.247 4.866 ( 3.450 -0.000 9.061) 9.696 4.906 ( 6.269 -0.000 9.721) 11.567 5.267 ( 2.235 -0.000 6.871) 7.225 5.961 ( 9.301 -0.000 -5.245) 10.678 6.171 ( -1.167 0.000 3.994) 4.161 6.269 ( 3.254 -0.000 -5.005) 5.970 6.470 ( 1.841 -0.000 3.248) 3.734 6.538 ( 1.385 -0.000 -2.364) 2.739 7.581 ( -2.406 0.000 1.748) 2.974 8.069 ( -10.384 0.000 -5.715) 11.853 8.545 ( -3.596 0.000 4.380) 5.667 8.866 ( -8.019 0.000 -3.040) 8.576 9.287 ( -0.409 0.000 7.262) 7.274 9.560 ( -2.310 0.000 -5.216) 5.705 9.814 ( 6.153 -0.000 -7.783) 9.921 10.053 ( 8.579 -0.000 -2.775) 9.016 10.480 ( -0.595 0.000 1.183) 1.324 10.577 ( -6.949 0.000 10.666) 12.730 10.703 ( -8.626 0.000 -2.728) 9.047 10.909 ( -1.679 0.000 0.625) 1.791 11.235 ( 0.628 -0.000 -11.412) 11.430 11.273 ( -0.077 0.000 7.183) 7.184 11.992 ( -1.779 0.000 -8.627) 8.808 12.034 ( 4.616 -0.000 16.994) 17.610 12.395 ( 14.755 -0.000 -2.201) 14.918 12.997 ( -14.377 0.000 4.062) 14.939 13.830 ( 8.794 -0.000 -0.064) 8.794 14.201 ( -1.544 0.000 5.410) 5.626 15.494 ( 7.759 -0.000 -29.169) 30.184 15.577 ( 7.857 -0.000 18.216) 19.838 ======================= Grid point 528 (257/468) ======================= q-point: (-0.73 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -2.023 3.080 -7.309) 8.185 2.780 ( 1.554 8.993 -6.621) 11.275 2.949 ( -3.012 -10.031 -7.116) 12.662 3.113 ( -17.616 -5.833 8.992) 20.620 3.543 ( 1.836 1.671 5.480) 6.016 4.293 ( -1.351 -6.227 -13.923) 15.312 4.978 ( 5.231 9.900 9.965) 14.989 5.139 ( 5.268 -5.500 8.312) 11.273 5.387 ( -1.661 6.399 13.118) 14.690 5.851 ( -3.558 0.598 -10.466) 11.071 6.168 ( 0.091 8.682 -1.435) 8.800 6.360 ( 3.841 -11.791 1.515) 12.493 6.523 ( 4.271 0.628 -1.596) 4.603 6.562 ( 2.922 -0.389 3.289) 4.417 7.610 ( -0.662 -1.203 3.600) 3.853 7.900 ( -9.381 -1.261 -1.123) 9.532 8.551 ( -3.955 -1.558 3.246) 5.349 8.712 ( -9.504 -1.307 -3.572) 10.237 9.300 ( -0.764 12.191 2.474) 12.463 9.524 ( -1.069 -8.534 -0.941) 8.652 9.753 ( 2.139 -0.437 -9.271) 9.525 10.114 ( 4.689 1.137 -0.504) 4.851 10.342 ( -10.556 9.210 -1.499) 14.089 10.485 ( -8.875 -4.183 -4.041) 10.611 10.740 ( 7.306 3.315 -1.324) 8.131 10.890 ( -1.613 -5.869 -1.162) 6.197 11.115 ( -2.401 -6.316 -10.378) 12.384 11.415 ( 8.200 2.516 6.959) 11.045 11.871 ( 1.542 -2.186 -8.118) 8.548 12.334 ( 8.255 5.015 19.630) 21.878 12.676 ( 16.767 -1.678 7.927) 18.622 12.894 ( -9.273 -2.530 4.619) 10.664 13.866 ( 2.812 3.411 -4.135) 6.053 14.192 ( -3.931 -1.509 -2.691) 4.997 15.237 ( 9.296 5.641 -22.998) 25.439 15.892 ( 2.897 -4.546 16.961) 17.798 ======================= Grid point 529 (258/468) ======================= q-point: (-0.64 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -4.552 5.513 -10.704) 12.872 2.655 ( -1.028 12.067 -0.938) 12.147 2.908 ( -6.889 -9.923 -3.376) 12.543 3.145 ( -9.002 -10.238 11.278) 17.693 3.662 ( 5.989 2.128 6.945) 9.415 4.222 ( -1.154 -16.169 -8.437) 18.274 5.075 ( 4.966 14.219 10.205) 18.193 5.251 ( -1.520 12.494 2.765) 12.886 5.423 ( -1.468 2.293 9.481) 9.864 5.699 ( -7.993 -2.348 -2.422) 8.676 6.019 ( -6.291 5.089 -5.634) 9.860 6.535 ( 2.236 -12.540 2.181) 12.923 6.589 ( 6.520 0.157 0.619) 6.551 6.621 ( 2.762 1.367 1.363) 3.370 7.603 ( -4.621 2.811 1.310) 5.566 7.894 ( -2.521 -9.900 4.934) 11.345 8.545 ( -4.714 -0.076 1.519) 4.953 8.600 ( -5.340 -4.497 -0.896) 7.038 9.177 ( -3.248 11.590 0.201) 12.039 9.573 ( 3.103 -3.956 -7.777) 9.261 9.681 ( -2.555 -1.660 0.780) 3.145 10.096 ( -8.247 -1.705 0.314) 8.428 10.216 ( 3.940 3.660 -0.365) 5.390 10.357 ( -1.078 2.265 -6.251) 6.736 10.735 ( 1.267 3.415 -0.212) 3.648 10.832 ( -4.565 -4.324 -12.447) 13.945 11.119 ( 5.042 -11.814 -2.930) 13.175 11.542 ( 9.132 9.218 2.800) 13.274 11.890 ( 5.836 -6.009 -3.392) 9.037 12.553 ( -1.554 2.243 9.120) 9.520 12.847 ( 9.295 6.490 7.022) 13.335 13.106 ( 12.463 -5.268 10.770) 17.294 13.750 ( -1.903 5.446 -7.398) 9.381 14.060 ( -6.136 -1.774 -9.896) 11.778 15.072 ( 8.094 6.375 -12.978) 16.571 16.140 ( -1.767 -5.853 14.236) 15.493 ======================= Grid point 530 (259/468) ======================= q-point: (-0.55 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( -5.002 10.941 -4.144) 12.724 2.509 ( -4.332 15.304 2.148) 16.049 2.899 ( -4.812 -13.209 -0.981) 14.092 3.316 ( -4.061 -13.155 12.175) 18.379 3.766 ( 3.947 3.077 0.890) 5.083 4.370 ( 4.176 -22.784 2.605) 23.310 4.932 ( -9.725 21.782 -1.070) 23.878 5.201 ( 4.112 9.920 5.293) 11.972 5.482 ( -6.381 5.702 6.703) 10.870 5.666 ( -3.627 -4.141 7.430) 9.247 5.797 ( -10.162 6.522 -5.214) 13.152 6.577 ( 0.353 -0.036 -2.689) 2.712 6.658 ( 5.310 2.714 -1.787) 6.225 6.713 ( 1.113 -9.950 -0.095) 10.012 7.567 ( -4.176 0.283 6.453) 7.691 8.044 ( -0.007 -14.713 1.244) 14.765 8.489 ( -1.455 3.420 0.277) 3.727 8.618 ( -2.819 -6.478 1.722) 7.272 9.058 ( -5.078 6.356 2.547) 8.525 9.486 ( 1.115 0.273 -9.270) 9.340 9.725 ( -2.166 -2.659 6.232) 7.113 10.063 ( -3.493 -5.136 2.084) 6.552 10.268 ( 4.536 5.569 -2.646) 7.655 10.287 ( 6.007 1.468 -0.259) 6.189 10.607 ( -8.819 -0.081 -10.228) 13.505 10.761 ( 5.679 -1.710 -1.656) 6.158 11.277 ( 7.952 -10.754 -1.994) 13.523 11.575 ( 8.144 9.243 -0.794) 12.344 11.955 ( 3.389 -3.571 -4.639) 6.764 12.537 ( -5.778 0.719 1.153) 5.936 12.982 ( 9.915 6.507 -3.130) 12.266 13.353 ( 7.846 0.780 3.107) 8.475 13.622 ( 0.258 6.383 -2.575) 6.887 13.890 ( -1.583 -2.897 -6.634) 7.410 14.990 ( 3.831 7.223 -3.371) 8.844 16.300 ( -5.955 -7.988 9.723) 13.922 ======================= Grid point 531 (260/468) ======================= q-point: (-0.45 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -2.437 16.998 4.340) 17.712 2.362 ( -6.201 16.359 7.405) 18.998 3.000 ( 0.151 -16.026 1.639) 16.110 3.545 ( -4.264 -16.720 11.274) 20.611 3.711 ( -3.088 7.094 -3.244) 8.389 4.615 ( -9.331 9.156 -1.748) 13.189 4.741 ( 9.012 -17.429 8.426) 21.354 5.174 ( -2.341 11.385 1.574) 11.730 5.404 ( -7.328 -0.737 -2.446) 7.760 5.563 ( -7.242 12.867 4.612) 15.468 5.788 ( -2.238 -0.787 10.736) 10.995 6.533 ( -0.346 2.012 -3.233) 3.824 6.631 ( 1.092 0.673 -4.772) 4.942 6.769 ( 4.055 -5.053 -5.964) 8.806 7.651 ( -2.802 -2.240 10.787) 11.368 8.118 ( -3.227 -13.130 -5.207) 14.489 8.481 ( 3.107 4.346 2.297) 5.815 8.648 ( -3.728 -6.393 -0.420) 7.413 9.034 ( -4.532 -0.522 7.551) 8.822 9.395 ( 1.864 0.072 -7.214) 7.452 9.856 ( 1.056 -2.987 11.752) 12.171 10.099 ( -1.779 -3.680 0.617) 4.134 10.205 ( 6.998 5.971 -8.804) 12.734 10.355 ( -2.038 2.297 -2.104) 3.723 10.442 ( 0.184 1.198 3.748) 3.939 10.872 ( 8.909 -3.204 0.790) 9.501 11.419 ( 6.269 -6.008 -2.640) 9.075 11.600 ( 8.832 1.646 -3.096) 9.502 11.889 ( 1.704 2.836 -11.294) 11.768 12.427 ( -9.503 2.489 -1.882) 10.002 12.919 ( 4.919 1.332 -10.204) 11.406 13.302 ( -5.997 2.978 -11.199) 13.048 13.604 ( 5.445 4.341 4.507) 8.295 13.955 ( 9.107 1.067 1.581) 9.304 14.948 ( 0.685 10.172 3.360) 10.734 16.376 ( -8.537 -11.437 4.051) 14.836 ======================= Grid point 532 (261/468) ======================= q-point: (-0.36 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 1.591 19.680 11.628) 22.914 2.277 ( -5.467 15.338 12.658) 20.625 3.204 ( 4.130 -15.922 3.978) 16.923 3.508 ( -7.617 12.413 -2.182) 14.726 3.758 ( -9.086 -20.542 9.195) 24.271 4.449 ( -3.521 4.705 -0.334) 5.885 4.969 ( -4.687 13.248 -2.618) 14.294 5.133 ( 4.542 -13.577 5.865) 15.471 5.261 ( -6.939 -7.532 -5.065) 11.425 5.550 ( 1.307 9.119 9.257) 13.060 5.866 ( -2.301 2.844 7.534) 8.375 6.476 ( 3.126 3.369 -2.666) 5.313 6.591 ( 1.987 -2.823 -6.416) 7.286 6.747 ( 1.159 0.882 -5.594) 5.780 7.777 ( -1.316 -2.434 10.319) 10.684 8.098 ( -5.603 -10.650 -4.085) 12.709 8.531 ( 4.309 3.404 1.855) 5.795 8.609 ( -5.329 -4.747 -2.733) 7.642 9.122 ( -2.839 -4.438 9.245) 10.641 9.368 ( 4.741 -0.755 -4.195) 6.375 9.987 ( -2.186 5.698 5.080) 7.941 10.041 ( -4.421 -0.898 -5.256) 6.926 10.185 ( 2.468 -1.398 3.204) 4.279 10.324 ( 7.033 2.193 -2.103) 7.661 10.524 ( 1.356 1.583 5.036) 5.450 11.022 ( 8.765 -0.843 0.707) 8.834 11.445 ( 5.675 2.738 -8.727) 10.764 11.655 ( -1.636 -5.143 -4.030) 6.736 11.770 ( 11.932 3.338 -6.605) 14.041 12.258 ( -11.667 -0.842 0.031) 11.697 12.880 ( 4.136 -1.886 -6.718) 8.112 13.036 ( -8.187 0.883 -10.618) 13.437 13.683 ( 2.990 4.265 3.268) 6.149 14.055 ( 8.502 3.278 -0.172) 9.114 14.889 ( -1.414 15.638 3.956) 16.193 16.399 ( -7.303 -15.090 -2.046) 16.889 ======================= Grid point 533 (262/468) ======================= q-point: (-0.27 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.906 ( 5.282 15.904 16.429) 23.468 2.277 ( -3.394 12.526 14.886) 19.749 3.280 ( -1.599 13.210 -1.417) 13.381 3.480 ( 1.358 -14.899 8.247) 17.083 3.890 ( -11.676 -18.532 6.243) 22.775 4.428 ( 0.732 -1.015 1.354) 1.843 4.720 ( -5.254 13.144 -5.826) 15.308 5.143 ( -0.743 0.761 -5.243) 5.350 5.353 ( -5.012 -15.982 -0.576) 16.759 5.622 ( 3.592 3.425 5.900) 7.710 5.898 ( 0.802 5.702 6.405) 8.613 6.489 ( 8.259 1.488 -7.248) 11.089 6.541 ( -2.142 -1.193 -6.158) 6.628 6.691 ( 2.020 2.749 0.871) 3.521 7.903 ( -5.237 -1.770 10.950) 12.266 8.085 ( -2.313 -13.056 -3.834) 13.803 8.480 ( -0.164 6.447 -2.427) 6.890 8.649 ( 1.653 -4.518 2.847) 5.590 9.233 ( -3.532 -5.910 6.275) 9.316 9.407 ( 7.235 0.610 -2.462) 7.667 9.850 ( -5.069 7.682 -7.022) 11.577 9.955 ( -5.876 -0.203 2.036) 6.222 10.269 ( 3.645 2.323 1.448) 4.558 10.390 ( 7.445 0.490 -0.314) 7.468 10.571 ( -2.617 0.685 4.924) 5.618 11.079 ( 5.648 4.809 -5.166) 9.040 11.335 ( 3.459 7.046 -2.624) 8.276 11.661 ( -1.306 -3.149 -0.282) 3.420 11.861 ( 5.093 -5.978 -3.188) 8.476 12.196 ( -3.037 -6.997 -0.160) 7.629 12.801 ( -4.096 -0.385 -6.248) 7.481 12.946 ( 3.038 -2.152 1.206) 3.913 13.674 ( -1.471 3.080 -0.935) 3.539 14.126 ( 6.737 3.104 1.181) 7.511 14.719 ( -4.792 19.997 -0.135) 20.563 16.403 ( -2.675 -15.615 -8.634) 18.042 ======================= Grid point 534 (263/468) ======================= q-point: (-0.18 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 6.315 7.903 16.360) 19.235 2.344 ( -0.295 8.258 13.595) 15.909 3.188 ( 3.845 11.567 2.559) 12.455 3.717 ( 0.115 -14.994 5.374) 15.928 3.957 ( -7.745 -7.989 7.014) 13.153 4.466 ( 0.211 5.179 -4.288) 6.727 4.518 ( -3.139 -3.354 -0.839) 4.669 5.033 ( 0.005 9.310 -5.553) 10.841 5.337 ( -5.067 -13.093 -8.817) 16.578 5.730 ( 5.587 -2.075 2.569) 6.490 5.931 ( -2.077 5.026 5.230) 7.545 6.362 ( -1.817 5.967 -7.410) 9.686 6.487 ( 2.003 -1.006 -5.598) 6.030 6.769 ( 6.479 2.145 0.975) 6.894 7.910 ( -11.249 -6.255 4.255) 13.557 8.211 ( 4.666 -9.508 3.557) 11.173 8.442 ( 4.151 4.482 0.416) 6.123 8.729 ( -0.561 -0.359 4.170) 4.223 9.243 ( -7.915 -4.148 -1.218) 9.018 9.456 ( 7.012 3.289 -2.325) 8.086 9.658 ( 0.349 1.156 -7.708) 7.802 9.952 ( -1.162 -0.434 3.734) 3.935 10.289 ( 3.935 5.620 0.500) 6.879 10.483 ( 0.791 -0.097 5.821) 5.876 10.568 ( -3.934 0.378 3.886) 5.543 10.979 ( 0.257 8.889 -3.644) 9.610 11.378 ( 1.327 0.396 4.449) 4.660 11.626 ( -7.441 -0.676 2.710) 7.947 11.883 ( 4.638 -6.961 -11.292) 14.052 12.236 ( -3.952 -7.750 -1.170) 8.777 12.737 ( 8.567 -0.054 -7.374) 11.304 13.105 ( 1.408 -2.980 14.252) 14.628 13.584 ( -3.407 1.249 -4.305) 5.631 14.153 ( -5.323 6.489 2.302) 8.703 14.507 ( 3.741 15.449 -0.771) 15.914 16.367 ( 1.355 -12.148 -15.500) 19.740 ======================= Grid point 535 (264/468) ======================= q-point: (-0.09 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 3.853 1.823 10.750) 11.564 2.461 ( 3.348 3.702 9.863) 11.054 3.243 ( 9.059 7.295 5.215) 12.747 3.801 ( -8.920 -9.537 -1.057) 13.101 4.035 ( -0.006 1.565 5.711) 5.922 4.327 ( -0.439 3.253 -3.044) 4.476 4.596 ( -1.111 -11.486 0.142) 11.540 4.861 ( -0.534 14.804 -2.679) 15.054 5.273 ( 1.091 -10.203 -13.012) 16.571 5.759 ( -1.202 6.376 -4.962) 8.168 5.941 ( 1.588 -5.726 3.800) 7.053 6.278 ( 0.701 1.959 0.183) 2.089 6.452 ( 1.259 -0.311 -3.744) 3.962 6.772 ( 1.814 6.502 -2.693) 7.268 7.868 ( -8.153 -5.474 -0.639) 9.841 8.392 ( 1.642 -1.753 9.539) 9.837 8.498 ( 7.747 -3.189 -4.675) 9.594 8.734 ( -5.325 2.272 5.531) 8.006 9.161 ( -3.997 -2.229 0.788) 4.644 9.464 ( 5.208 1.954 -3.595) 6.623 9.653 ( 5.455 -4.272 -4.962) 8.522 10.007 ( 3.785 0.278 0.920) 3.905 10.282 ( -2.962 0.962 3.173) 4.446 10.554 ( -2.201 3.320 11.431) 12.105 10.594 ( -3.217 0.119 5.060) 5.998 10.885 ( 0.876 7.943 -0.106) 7.992 11.391 ( -5.274 -2.773 -0.444) 5.975 11.589 ( -10.892 -2.458 7.348) 13.367 11.861 ( 7.402 -3.241 -9.774) 12.682 12.143 ( -6.782 -1.061 -7.801) 10.391 12.827 ( 13.863 -3.443 -6.211) 15.576 13.221 ( -2.637 2.790 -2.296) 4.473 13.582 ( -0.342 -2.248 12.905) 13.104 13.924 ( -16.195 10.283 1.995) 19.287 14.602 ( 15.374 4.138 5.027) 16.695 16.250 ( 3.587 -7.170 -21.452) 22.902 ======================= Grid point 539 (265/468) ======================= q-point: ( 0.27 -0.73 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( -1.032 0.000 -12.688) 12.730 2.727 ( 1.810 -0.000 -13.395) 13.516 2.896 ( -2.130 0.000 9.261) 9.502 3.016 ( -15.974 0.000 12.744) 20.435 3.690 ( 6.120 -0.000 9.012) 10.893 4.061 ( -3.266 0.000 -12.552) 12.969 5.251 ( 6.693 -0.000 11.616) 13.407 5.267 ( 4.843 -0.000 7.520) 8.945 5.578 ( -5.288 0.000 16.183) 17.025 5.597 ( -9.343 0.000 -13.578) 16.482 6.085 ( -7.183 0.000 -9.764) 12.121 6.385 ( -0.089 0.000 6.195) 6.196 6.596 ( 9.776 -0.000 -0.173) 9.778 6.637 ( 0.103 -0.000 3.654) 3.656 7.655 ( -0.859 0.000 3.996) 4.088 7.780 ( -7.407 0.000 0.393) 7.417 8.541 ( -3.342 0.000 3.628) 4.932 8.557 ( -7.683 0.000 -1.478) 7.824 9.375 ( -3.311 0.000 -3.450) 4.782 9.443 ( 2.153 -0.000 0.134) 2.157 9.665 ( 0.763 -0.000 -5.907) 5.956 10.084 ( -10.967 0.000 -0.869) 11.002 10.252 ( 4.266 -0.000 -3.591) 5.576 10.390 ( -1.927 0.000 -0.036) 1.927 10.774 ( 1.498 -0.000 -14.050) 14.129 10.782 ( -6.601 0.000 0.011) 6.601 11.004 ( 8.292 -0.000 -2.209) 8.581 11.645 ( 9.361 -0.000 6.706) 11.515 11.815 ( 6.027 -0.000 -6.666) 8.987 12.568 ( -3.545 0.000 6.352) 7.274 12.942 ( 7.765 -0.000 9.288) 12.106 13.025 ( 17.300 -0.000 11.201) 20.609 13.805 ( -1.726 0.000 -7.095) 7.302 14.037 ( -6.875 0.000 -10.006) 12.141 15.127 ( 10.037 -0.000 -16.898) 19.654 16.090 ( -3.680 0.000 17.243) 17.631 ======================= Grid point 541 (266/468) ======================= q-point: (-0.64 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( 0.920 5.234 -4.974) 7.279 2.605 ( 1.969 -3.860 -11.115) 11.930 2.890 ( -10.311 12.234 12.511) 20.310 3.110 ( -4.369 -11.764 11.197) 16.818 3.825 ( 3.224 5.944 -1.660) 6.963 4.023 ( 4.416 -16.479 3.111) 17.341 5.237 ( -10.278 10.974 -10.423) 18.295 5.365 ( 3.581 8.226 6.880) 11.306 5.495 ( -2.555 -3.997 7.188) 8.612 5.613 ( -7.381 -1.179 3.127) 8.102 5.908 ( -4.807 5.438 1.708) 7.456 6.458 ( -7.858 -8.766 5.953) 13.192 6.660 ( 2.848 1.078 -0.488) 3.084 6.713 ( 6.493 2.224 1.323) 6.990 7.614 ( -3.523 5.794 1.944) 7.054 7.792 ( -3.330 -13.308 -0.035) 13.719 8.500 ( -3.031 -0.580 2.151) 3.762 8.558 ( -2.939 -1.348 4.234) 5.328 9.226 ( -3.013 11.130 -2.448) 11.787 9.456 ( 1.250 -5.120 -7.523) 9.186 9.666 ( 0.014 -2.854 3.188) 4.278 9.980 ( -5.882 -2.678 2.556) 6.950 10.314 ( 5.405 1.059 2.330) 5.980 10.379 ( 3.714 5.746 -1.335) 6.971 10.578 ( -3.298 -2.990 -14.196) 14.877 10.727 ( -2.093 -1.463 1.016) 2.748 11.148 ( 12.217 -3.844 -1.763) 12.928 11.730 ( 4.618 8.096 0.175) 9.322 11.871 ( 6.047 -5.930 -4.098) 9.408 12.539 ( -4.015 -0.115 0.060) 4.017 13.076 ( 6.938 3.491 -6.529) 10.147 13.350 ( 11.924 -0.616 7.245) 13.966 13.729 ( -0.510 6.052 -4.155) 7.358 13.823 ( -1.899 -4.821 -6.235) 8.107 15.072 ( 7.353 2.325 -7.817) 10.981 16.213 ( -9.124 -2.435 13.203) 16.233 ======================= Grid point 542 (267/468) ======================= q-point: (-0.55 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 2.177 12.189 3.482) 12.863 2.564 ( 3.612 0.846 -4.554) 5.874 2.837 ( -10.102 3.107 12.919) 16.692 3.298 ( -4.006 -12.188 9.608) 16.028 3.751 ( 0.096 -0.355 -7.571) 7.580 4.374 ( 11.501 -16.985 9.492) 22.602 4.876 ( -11.309 11.982 -7.022) 17.910 5.303 ( -11.211 0.763 -6.025) 12.750 5.399 ( -3.089 3.719 -0.212) 4.840 5.743 ( -1.020 -1.248 11.752) 11.862 5.846 ( -3.449 15.792 10.392) 19.217 6.485 ( -4.530 -7.464 0.926) 8.781 6.678 ( 1.769 1.356 -4.334) 4.874 6.724 ( 3.037 2.613 -1.647) 4.331 7.618 ( -1.855 -1.072 7.577) 7.874 7.846 ( -4.065 -16.359 -4.926) 17.562 8.512 ( -1.690 0.086 2.820) 3.289 8.596 ( -1.495 -1.644 4.223) 4.772 9.093 ( -3.046 8.109 1.472) 8.787 9.418 ( 2.642 0.345 -4.274) 5.036 9.779 ( 2.554 -5.503 7.219) 9.430 10.020 ( -3.877 -3.808 5.370) 7.640 10.302 ( 5.845 5.063 -9.935) 12.590 10.409 ( -0.771 3.068 -0.787) 3.260 10.453 ( 1.396 -0.197 4.153) 4.386 10.798 ( 5.763 -4.613 1.662) 7.567 11.303 ( 11.174 -5.217 -3.420) 12.798 11.681 ( -0.917 5.097 -2.617) 5.803 11.900 ( 7.233 -0.901 -8.322) 11.063 12.461 ( -6.010 1.322 -4.124) 7.407 12.947 ( 2.766 1.634 -13.494) 13.871 13.334 ( -7.241 0.960 -14.815) 16.518 13.670 ( 5.693 3.052 5.399) 8.419 13.966 ( 11.539 0.344 3.017) 11.932 15.079 ( 5.793 5.030 0.808) 7.714 16.232 ( -13.175 -5.417 7.121) 15.926 ======================= Grid point 543 (268/468) ======================= q-point: (-0.45 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( 3.425 15.505 7.650) 17.626 2.535 ( -1.460 12.984 7.412) 15.022 2.951 ( -1.582 -11.792 10.312) 15.745 3.440 ( -9.256 -15.843 7.112) 19.679 3.630 ( -1.281 2.612 -9.443) 9.881 4.581 ( -2.272 7.975 -2.252) 8.593 4.825 ( 5.811 -16.756 10.037) 20.379 5.107 ( -6.970 -2.383 -6.766) 10.002 5.253 ( -6.914 8.108 -4.078) 11.409 5.765 ( -3.627 14.985 11.420) 19.186 5.904 ( 1.414 2.486 8.043) 8.536 6.507 ( 1.368 -2.101 -1.225) 2.790 6.574 ( 0.786 1.924 -7.698) 7.973 6.734 ( 1.622 -1.729 -3.641) 4.345 7.733 ( -0.690 -2.479 9.303) 9.652 7.854 ( -6.816 -16.125 -4.492) 18.073 8.520 ( -1.734 -1.505 1.619) 2.810 8.639 ( 0.081 2.095 3.513) 4.091 9.057 ( -2.582 1.154 4.547) 5.355 9.428 ( 5.127 4.224 1.270) 6.763 9.982 ( 2.829 -7.414 4.458) 9.102 10.004 ( -5.419 -0.624 2.788) 6.126 10.223 ( 0.530 5.479 -3.336) 6.436 10.366 ( 4.973 2.318 -1.592) 5.713 10.571 ( 2.442 3.150 7.195) 8.225 10.960 ( 7.089 -5.898 2.924) 9.674 11.412 ( 7.968 -4.471 -6.228) 11.058 11.573 ( -5.391 -2.374 -4.570) 7.456 11.887 ( 14.875 6.516 -11.255) 19.759 12.263 ( -12.294 1.172 -4.118) 13.018 12.853 ( 4.499 -1.128 -9.743) 10.791 13.035 ( -8.538 -0.701 -12.829) 15.426 13.765 ( 3.705 4.882 3.411) 7.014 14.095 ( 8.207 1.352 -0.605) 8.339 15.123 ( 4.903 11.309 4.235) 13.033 16.175 ( -12.883 -10.663 0.407) 16.728 ======================= Grid point 544 (269/468) ======================= q-point: (-0.36 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 4.197 14.394 9.936) 17.987 2.502 ( -4.134 13.700 11.305) 18.237 3.211 ( 2.295 -14.601 10.532) 18.149 3.458 ( -2.853 4.760 -6.768) 8.752 3.541 ( -10.057 -18.817 5.724) 22.091 4.517 ( 3.219 7.841 2.212) 8.760 4.877 ( -12.459 -0.973 -6.455) 14.066 5.081 ( -2.344 1.229 -3.336) 4.258 5.175 ( 7.748 -6.377 2.569) 10.358 5.737 ( 0.124 9.795 4.654) 10.845 5.980 ( 1.548 3.914 5.851) 7.207 6.498 ( 3.803 0.046 -5.643) 6.805 6.532 ( 3.415 -0.451 -4.708) 5.834 6.699 ( -1.381 -1.765 -2.658) 3.477 7.834 ( -8.981 -13.517 -3.194) 16.540 7.871 ( 0.896 -3.032 8.946) 9.488 8.551 ( -0.490 -2.116 3.052) 3.746 8.647 ( 2.056 6.194 2.469) 6.978 9.109 ( -2.493 -5.132 5.011) 7.594 9.491 ( 6.671 6.220 3.142) 9.647 9.891 ( -9.236 -0.306 -1.804) 9.416 10.047 ( -1.458 7.740 -3.060) 8.449 10.227 ( 2.139 -5.333 4.777) 7.473 10.425 ( 7.464 2.714 -0.169) 7.944 10.615 ( -1.000 4.448 4.261) 6.240 11.095 ( 3.999 -3.070 -0.454) 5.062 11.396 ( -1.075 0.437 -4.789) 4.928 11.526 ( -3.334 -10.367 -2.772) 11.237 11.896 ( 15.938 7.303 -8.921) 19.671 12.108 ( -7.348 -3.102 -1.266) 8.076 12.777 ( -1.021 -1.933 -8.279) 8.563 12.903 ( 1.394 -2.839 -1.704) 3.593 13.754 ( -0.400 5.687 -1.007) 5.789 14.164 ( 5.245 1.082 0.819) 5.418 15.049 ( -2.408 18.297 0.469) 18.460 16.138 ( -4.965 -15.129 -5.724) 16.921 ======================= Grid point 545 (270/468) ======================= q-point: (-0.27 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 4.619 10.077 10.891) 15.540 2.487 ( -3.928 8.569 9.880) 13.655 3.323 ( -2.171 2.680 -3.163) 4.680 3.479 ( 2.599 -10.941 8.264) 13.955 3.706 ( -4.830 -19.084 10.233) 22.187 4.546 ( 5.669 9.101 3.356) 11.235 4.622 ( -7.202 4.819 -9.957) 13.200 5.042 ( 1.474 -4.334 -5.277) 6.985 5.246 ( -0.911 1.910 -1.047) 2.361 5.729 ( 3.826 2.357 -0.957) 4.595 6.018 ( -0.608 4.413 3.593) 5.723 6.449 ( -0.939 3.362 -5.849) 6.811 6.482 ( 2.892 1.019 -5.853) 6.608 6.734 ( 3.624 -5.887 -0.411) 6.925 7.783 ( -10.410 -8.209 1.633) 13.358 8.049 ( 6.688 -7.331 4.376) 10.846 8.578 ( 0.476 8.599 5.321) 10.123 8.697 ( 2.673 -2.413 3.263) 4.860 9.164 ( -5.261 -4.444 2.987) 7.507 9.546 ( 7.216 6.776 0.038) 9.899 9.690 ( -6.457 2.322 -9.858) 12.011 9.968 ( -2.177 2.600 2.437) 4.176 10.343 ( 1.594 -1.427 3.944) 4.487 10.498 ( 6.209 3.032 2.955) 7.515 10.583 ( -7.787 2.263 4.653) 9.350 11.092 ( 2.885 2.589 -6.495) 7.563 11.334 ( -11.880 -2.947 7.176) 14.189 11.545 ( -3.065 -10.023 -2.625) 10.805 11.900 ( 13.425 8.103 -9.906) 18.548 12.093 ( -2.550 -7.763 -1.023) 8.235 12.717 ( 6.527 -2.372 -8.724) 11.151 13.041 ( 3.815 -4.386 11.886) 13.232 13.646 ( -2.788 5.500 -4.437) 7.597 14.223 ( -0.052 1.994 3.328) 3.880 14.800 ( -5.753 17.740 -3.269) 18.934 16.145 ( 3.025 -13.260 -11.994) 18.134 ======================= Grid point 546 (271/468) ======================= q-point: (-0.18 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( 3.783 6.067 7.999) 10.729 2.511 ( -1.775 2.055 7.242) 7.734 3.285 ( -1.664 -2.392 1.141) 3.129 3.662 ( 0.112 -6.507 5.550) 8.553 3.975 ( 3.214 -10.979 11.626) 16.310 4.391 ( -3.751 3.005 -9.215) 10.394 4.555 ( 4.100 9.195 -0.273) 10.071 5.037 ( 5.430 -1.894 -7.739) 9.641 5.147 ( -3.986 4.384 -2.605) 6.473 5.773 ( 6.278 -3.243 -4.225) 8.233 5.946 ( -5.354 5.141 -0.841) 7.470 6.346 ( 0.845 5.176 -2.456) 5.791 6.449 ( 0.444 -0.158 -2.268) 2.316 6.791 ( 0.258 -4.287 -3.032) 5.257 7.786 ( -2.905 -3.953 2.882) 5.689 8.254 ( 6.525 -9.603 2.602) 11.899 8.570 ( 2.800 7.486 0.973) 8.052 8.771 ( -4.166 1.433 6.503) 7.855 9.125 ( -3.591 -1.400 0.363) 3.871 9.505 ( 2.987 1.909 -7.676) 8.455 9.604 ( 3.071 -0.446 -1.831) 3.603 9.981 ( -1.195 -1.912 3.064) 3.805 10.350 ( -3.494 4.838 1.393) 6.128 10.558 ( -4.803 -3.068 4.842) 7.478 10.608 ( 1.368 2.440 9.803) 10.194 11.017 ( 0.355 6.240 -0.548) 6.274 11.283 ( -13.767 -7.157 2.542) 15.723 11.567 ( -4.451 -3.324 4.311) 7.032 11.866 ( 9.110 4.472 -8.795) 13.429 12.081 ( -3.124 -5.003 -5.013) 7.741 12.771 ( 13.874 -3.754 -8.594) 16.746 13.254 ( 2.617 0.828 3.912) 4.779 13.562 ( -1.513 0.413 7.410) 7.574 14.101 ( -16.421 9.537 0.820) 19.007 14.685 ( 8.045 5.273 1.192) 9.693 16.114 ( 6.793 -8.085 -17.957) 20.832 ======================= Grid point 547 (272/468) ======================= q-point: (-0.09 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.348 1.893 3.646) 4.123 2.594 ( 2.928 -1.967 4.487) 5.707 3.332 ( -2.738 -7.417 2.914) 8.426 3.683 ( -4.701 3.533 -0.916) 5.952 4.100 ( -5.903 9.937 0.009) 11.558 4.341 ( 8.541 -2.797 0.629) 9.009 4.526 ( 3.251 -3.932 -3.533) 6.206 4.994 ( 5.683 11.642 -1.149) 13.006 5.087 ( -0.291 -7.233 -5.209) 8.918 5.713 ( 0.243 3.812 -7.488) 8.406 5.958 ( 3.006 -6.382 3.022) 7.675 6.311 ( 2.137 2.904 -1.214) 3.804 6.440 ( -0.923 -0.070 0.862) 1.265 6.749 ( -2.109 0.228 -3.488) 4.082 7.787 ( -1.842 3.573 0.020) 4.020 8.386 ( 2.329 -7.423 -6.964) 10.441 8.559 ( 2.224 2.306 2.372) 3.987 8.734 ( -7.617 1.447 5.843) 9.709 9.215 ( 4.643 -1.933 7.997) 9.447 9.446 ( 4.213 -1.342 -8.515) 9.594 9.627 ( 1.755 -3.145 -2.370) 4.311 10.045 ( 1.174 -4.060 2.022) 4.685 10.288 ( -5.656 2.219 5.686) 8.322 10.562 ( -6.812 -0.468 2.738) 7.357 10.724 ( -0.077 1.062 9.435) 9.495 11.012 ( 1.740 7.761 6.980) 10.582 11.198 ( -10.044 -7.648 -0.941) 12.659 11.573 ( -4.205 3.764 4.639) 7.305 11.834 ( -4.963 -3.347 -0.701) 6.027 12.003 ( 6.944 1.900 -10.538) 12.763 12.800 ( 3.390 -0.279 -12.876) 13.318 13.221 ( 10.171 4.506 -7.528) 13.433 13.687 ( -17.804 2.106 12.577) 21.900 13.900 ( -0.979 1.445 10.040) 10.191 14.855 ( 11.209 -2.750 5.585) 12.822 16.005 ( 8.833 -2.025 -21.772) 23.583 ======================= Grid point 552 (273/468) ======================= q-point: ( 0.36 -0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 5.276 -0.000 5.244) 7.439 2.491 ( 2.961 -0.000 -7.544) 8.104 2.971 ( -15.806 0.000 14.773) 21.635 3.150 ( 1.367 -0.000 6.900) 7.034 3.745 ( -1.904 0.000 -7.490) 7.728 4.211 ( 14.210 -0.000 10.761) 17.824 4.990 ( -11.793 0.000 -10.950) 16.093 5.280 ( -13.248 0.000 -11.219) 17.361 5.459 ( -3.531 0.000 2.954) 4.604 5.716 ( 3.216 -0.000 11.483) 11.925 6.045 ( 2.211 -0.000 10.278) 10.513 6.367 ( -12.561 0.000 8.341) 15.078 6.686 ( 3.865 -0.000 -3.021) 4.905 6.771 ( -0.641 0.000 -1.906) 2.011 7.645 ( -0.577 0.000 0.943) 1.106 7.646 ( -4.064 0.000 -1.154) 4.225 8.516 ( -1.990 0.000 3.988) 4.457 8.572 ( -3.238 0.000 5.203) 6.128 9.216 ( 1.558 -0.000 -4.745) 4.994 9.387 ( -0.606 0.000 0.498) 0.784 9.722 ( 2.954 -0.000 5.151) 5.938 9.989 ( -3.278 0.000 7.864) 8.520 10.357 ( 1.861 -0.000 -12.072) 12.214 10.428 ( 0.773 -0.000 -2.059) 2.199 10.452 ( 3.675 -0.000 7.151) 8.040 10.751 ( 4.597 -0.000 2.212) 5.101 11.259 ( 12.573 -0.000 -3.727) 13.114 11.732 ( -9.131 0.000 -1.283) 9.221 11.885 ( 14.118 -0.000 -8.622) 16.543 12.472 ( -4.633 0.000 -4.359) 6.361 12.963 ( 1.906 -0.000 -14.920) 15.042 13.341 ( -7.890 0.000 -16.107) 17.936 13.698 ( 5.892 -0.000 5.996) 8.406 13.969 ( 12.504 -0.000 3.354) 12.946 15.121 ( 8.219 -0.000 -0.581) 8.239 16.187 ( -15.380 0.000 8.561) 17.602 ======================= Grid point 554 (274/468) ======================= q-point: (-0.55 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( 5.456 12.309 4.442) 14.178 2.568 ( 6.686 -8.912 3.907) 11.807 2.924 ( -13.897 6.574 14.914) 21.419 3.229 ( -6.905 -8.288 3.648) 11.388 3.642 ( -0.542 -0.205 -7.431) 7.453 4.562 ( 15.381 -6.999 8.786) 19.046 4.721 ( -10.598 2.392 -5.722) 12.279 5.049 ( -3.384 -2.292 -9.093) 9.969 5.376 ( -7.354 4.252 -1.209) 8.580 5.879 ( -1.191 0.357 11.596) 11.662 6.099 ( 0.643 16.075 7.389) 17.704 6.401 ( -3.136 -9.356 4.399) 10.804 6.632 ( -1.619 4.119 -7.743) 8.918 6.697 ( -0.408 -2.933 -5.165) 5.954 7.621 ( -3.920 -8.555 -1.543) 9.536 7.703 ( 0.969 -1.011 6.824) 6.967 8.517 ( -3.112 0.686 2.134) 3.835 8.618 ( -2.659 -2.424 6.345) 7.294 9.174 ( 3.504 8.989 -0.468) 9.659 9.436 ( 0.870 -3.550 3.691) 5.195 9.875 ( 5.094 -3.359 8.142) 10.175 9.997 ( -5.603 -0.195 0.626) 5.641 10.307 ( 2.925 3.403 0.054) 4.488 10.389 ( 0.212 0.245 -1.861) 1.889 10.615 ( 3.717 1.679 10.283) 11.063 10.860 ( 7.166 -4.195 -0.680) 8.331 11.352 ( 11.108 -1.889 -6.908) 13.217 11.553 ( -12.079 -0.470 -4.302) 12.831 11.962 ( 17.649 2.150 -9.941) 20.370 12.284 ( -11.469 0.863 -7.144) 13.540 12.843 ( 5.044 -0.235 -12.103) 13.115 13.022 ( -9.297 -0.593 -13.695) 16.563 13.831 ( 4.305 2.331 4.045) 6.351 14.104 ( 7.776 0.035 -1.556) 7.930 15.259 ( 11.959 4.288 3.671) 13.224 16.047 ( -19.341 -3.993 2.137) 19.864 ======================= Grid point 555 (275/468) ======================= q-point: (-0.45 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 4.729 10.748 3.627) 12.290 2.717 ( -2.360 9.733 9.068) 13.511 2.990 ( -1.616 -9.685 13.432) 16.639 3.228 ( -13.408 -14.228 3.588) 19.877 3.542 ( 1.297 2.625 -6.887) 7.483 4.571 ( -7.662 -3.288 -1.019) 8.400 4.805 ( 3.380 0.339 0.719) 3.472 5.059 ( 11.411 -6.476 -2.899) 13.437 5.225 ( -1.611 8.816 -1.588) 9.101 5.920 ( -7.140 8.365 7.116) 13.099 6.062 ( 3.599 8.386 2.739) 9.528 6.482 ( 1.126 -6.172 -1.198) 6.387 6.510 ( 1.946 1.264 -5.966) 6.401 6.643 ( -2.734 -4.079 -5.561) 7.418 7.630 ( -2.428 -9.003 -2.424) 9.634 7.834 ( -1.262 -1.584 11.189) 11.370 8.515 ( -0.339 -1.366 2.012) 2.455 8.693 ( -2.069 -1.392 6.863) 7.303 9.144 ( 2.139 8.963 2.646) 9.587 9.537 ( 3.091 -2.304 3.487) 5.198 9.896 ( -7.199 0.720 -0.759) 7.275 10.078 ( 2.818 -3.167 6.218) 7.526 10.243 ( -1.211 7.837 -0.505) 7.946 10.452 ( 4.258 -0.206 3.598) 5.579 10.706 ( 1.397 5.783 3.319) 6.813 10.980 ( 1.749 -9.385 0.515) 9.561 11.374 ( -0.386 -3.895 -7.073) 8.084 11.388 ( -2.846 -3.288 -5.235) 6.805 12.018 ( 10.373 5.508 -8.237) 14.345 12.085 ( -1.555 0.104 -4.564) 4.823 12.748 ( 2.507 -1.196 -12.040) 12.357 12.855 ( -1.603 -2.547 -2.303) 3.789 13.850 ( 0.361 4.986 -0.555) 5.030 14.163 ( 3.842 -0.977 0.031) 3.965 15.335 ( 3.508 15.007 0.577) 15.422 15.895 ( -10.496 -13.146 -3.853) 17.258 ======================= Grid point 556 (276/468) ======================= q-point: (-0.36 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 2.821 7.744 5.371) 9.837 2.640 ( -6.674 9.350 4.666) 12.399 3.202 ( -8.662 -12.074 3.836) 15.347 3.332 ( -0.469 -13.752 13.599) 19.346 3.509 ( 6.323 0.720 -0.144) 6.366 4.511 ( -10.497 -9.938 -2.196) 14.621 4.770 ( 7.209 10.810 -4.275) 13.678 5.093 ( 3.472 6.348 -2.932) 7.807 5.269 ( 8.203 1.644 -0.034) 8.366 5.807 ( -1.834 6.248 -3.014) 7.175 6.082 ( -0.259 3.618 3.219) 4.850 6.475 ( 2.364 0.877 -4.712) 5.344 6.510 ( 2.159 -0.294 -4.598) 5.088 6.591 ( -2.147 -9.073 -2.629) 9.687 7.656 ( -1.827 -5.992 0.968) 6.339 7.967 ( 0.937 -2.785 7.986) 8.510 8.604 ( 3.063 -3.387 6.199) 7.700 8.737 ( -1.529 3.665 4.635) 6.103 9.145 ( -0.053 4.183 3.887) 5.710 9.613 ( 1.890 -0.397 0.523) 2.001 9.754 ( -7.539 3.946 -5.342) 10.047 10.034 ( -2.057 4.628 -3.941) 6.418 10.294 ( 1.330 -0.976 7.322) 7.505 10.550 ( 1.404 1.894 7.626) 7.982 10.656 ( -4.387 5.559 0.030) 7.082 11.033 ( -1.504 -7.815 -3.875) 8.852 11.324 ( -7.011 -4.995 1.470) 8.733 11.357 ( -0.430 -4.944 -2.359) 5.495 11.956 ( -5.276 -4.256 -0.765) 6.821 12.095 ( 17.321 9.309 -10.434) 22.261 12.663 ( 6.378 -3.674 -12.221) 14.266 12.964 ( 4.120 -4.316 11.189) 12.681 13.753 ( -2.436 6.532 -4.226) 8.152 14.228 ( 1.060 -1.173 3.344) 3.699 15.087 ( -12.771 15.353 -5.342) 20.673 15.929 ( 7.115 -11.825 -8.492) 16.204 ======================= Grid point 557 (277/468) ======================= q-point: (-0.27 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 1.709 3.533 5.581) 6.823 2.549 ( -5.576 3.792 2.284) 7.119 3.188 ( -8.859 -8.166 1.384) 12.128 3.571 ( 2.458 -4.801 9.396) 10.834 3.757 ( 10.760 -10.995 11.383) 19.138 4.391 ( -5.667 -4.457 -9.409) 11.854 4.738 ( 5.285 8.071 -2.169) 9.888 5.037 ( 2.450 7.959 -3.046) 8.867 5.282 ( 4.422 7.285 -3.243) 9.119 5.731 ( 3.819 -0.868 -6.613) 7.686 6.036 ( -4.932 4.796 -0.403) 6.892 6.424 ( 2.274 1.141 -6.250) 6.748 6.450 ( -1.646 2.098 -0.723) 2.763 6.657 ( 0.055 -9.793 -1.732) 9.945 7.732 ( 2.948 -2.407 4.952) 6.245 8.114 ( 4.495 -6.557 3.245) 8.586 8.702 ( -1.744 6.639 0.153) 6.866 8.773 ( 2.083 -0.686 10.636) 10.859 9.135 ( -2.990 3.198 1.657) 4.682 9.510 ( -3.827 -0.439 -9.731) 10.466 9.648 ( 2.948 3.863 -2.082) 5.287 9.961 ( -3.545 -0.664 -0.363) 3.625 10.390 ( -1.185 -0.493 5.119) 5.277 10.524 ( -12.086 0.382 4.503) 12.903 10.653 ( 2.928 2.673 5.543) 6.815 11.016 ( -2.294 -6.087 -2.501) 6.969 11.263 ( -9.518 5.002 5.803) 12.218 11.452 ( 0.663 -9.158 5.960) 10.947 11.903 ( -8.080 -4.161 -2.262) 9.366 12.081 ( 15.544 8.005 -11.905) 21.152 12.689 ( 13.488 -5.840 -10.696) 18.178 13.238 ( 5.818 -2.517 12.896) 14.370 13.610 ( -3.032 5.033 -1.360) 6.031 14.224 ( -10.673 4.488 2.647) 11.877 14.772 ( -6.326 4.706 -5.079) 9.379 15.994 ( 12.550 -5.562 -13.573) 19.304 ======================= Grid point 558 (278/468) ======================= q-point: (-0.18 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( -2.817 3.115 0.229) 4.206 2.535 ( -1.624 -4.103 4.483) 6.291 3.193 ( -5.591 -7.941 3.001) 10.165 3.714 ( -1.355 -0.606 5.809) 5.996 4.104 ( 3.716 -7.136 7.832) 11.229 4.300 ( 10.293 -2.567 -5.430) 11.917 4.638 ( -0.240 11.943 -6.851) 13.771 4.956 ( -0.029 -0.951 -5.660) 5.739 5.216 ( 3.722 10.244 -1.999) 11.081 5.730 ( 4.820 -2.612 -8.666) 10.254 5.924 ( -3.034 3.144 1.669) 4.677 6.372 ( 4.105 2.479 -5.433) 7.247 6.426 ( -3.991 -0.628 2.614) 4.812 6.695 ( -1.414 -5.337 -0.536) 5.547 7.860 ( 5.966 3.605 4.265) 8.172 8.243 ( 3.336 -8.247 -2.011) 9.121 8.589 ( -4.146 3.049 -4.002) 6.519 8.838 ( -4.690 8.585 6.747) 11.884 9.162 ( 6.698 -2.792 3.693) 8.143 9.419 ( 1.037 -3.262 -6.708) 7.531 9.611 ( -3.097 1.425 -0.679) 3.476 9.951 ( -0.890 -5.568 0.428) 5.655 10.349 ( -8.282 3.814 4.837) 10.321 10.523 ( -4.851 -3.974 4.576) 7.763 10.720 ( 1.215 -1.253 2.211) 2.817 11.042 ( -4.989 -6.503 4.816) 9.507 11.175 ( -6.630 7.864 6.990) 12.436 11.631 ( 1.427 0.462 12.479) 12.569 11.770 ( -8.645 -2.619 -5.110) 10.378 12.053 ( 11.921 4.567 -11.627) 17.267 12.764 ( 9.418 -4.280 -11.565) 15.517 13.308 ( 9.938 5.915 -8.901) 14.594 13.697 ( -10.148 -1.394 20.056) 22.520 13.967 ( -13.233 6.476 0.356) 14.737 14.768 ( 3.876 -7.576 -0.123) 8.511 15.995 ( 14.737 1.050 -16.216) 21.937 ======================= Grid point 559 (279/468) ======================= q-point: (-0.09 -0.64 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -4.937 -1.254 1.296) 5.256 2.607 ( -0.843 -7.331 0.886) 7.432 3.249 ( -2.650 -7.784 2.976) 8.745 3.644 ( -7.509 8.286 -1.306) 11.258 4.057 ( -8.384 11.107 -5.070) 14.810 4.458 ( 1.925 3.311 -0.211) 3.836 4.551 ( 15.629 -4.609 -3.329) 16.631 4.939 ( 1.357 -7.285 -3.789) 8.322 5.181 ( 3.832 7.574 1.697) 8.656 5.656 ( 2.244 0.668 -6.382) 6.798 5.992 ( 2.192 -4.383 4.322) 6.534 6.359 ( 5.599 2.338 -2.657) 6.624 6.422 ( -3.620 -2.461 2.676) 5.131 6.704 ( -0.705 0.404 0.165) 0.829 7.863 ( 1.768 12.480 -0.266) 12.607 8.222 ( -2.472 -3.151 -10.144) 10.906 8.566 ( -1.048 -9.027 3.103) 9.603 8.764 ( -5.709 7.974 4.625) 10.843 9.351 ( -4.284 5.255 1.149) 6.877 9.379 ( 13.124 -10.297 -3.863) 17.123 9.565 ( -0.729 -4.216 -1.678) 4.596 10.035 ( 1.058 -5.682 1.603) 5.998 10.314 ( -6.698 -0.377 8.512) 10.838 10.502 ( -7.402 1.200 2.331) 7.852 10.762 ( 0.922 -4.140 -1.501) 4.499 11.040 ( -10.489 -2.048 4.030) 11.422 11.239 ( 5.893 3.903 12.175) 14.078 11.601 ( -4.350 3.365 -4.691) 7.229 11.759 ( -3.294 2.904 6.259) 7.646 12.042 ( 8.381 2.406 -3.660) 9.456 12.655 ( 3.638 2.917 -16.269) 16.924 13.296 ( 1.176 6.064 -3.335) 7.020 13.585 ( -10.028 -0.195 3.981) 10.791 14.077 ( 1.182 -2.724 14.589) 14.888 14.905 ( 3.501 -14.151 -1.987) 14.712 15.958 ( 15.833 7.886 -13.210) 22.077 ======================= Grid point 565 (280/468) ======================= q-point: ( 0.45 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( 4.437 -0.000 -1.539) 4.697 2.765 ( 8.727 -0.000 14.497) 16.920 2.953 ( -14.302 0.000 14.201) 20.155 3.077 ( -11.809 0.000 -1.651) 11.924 3.564 ( 0.888 -0.000 -5.037) 5.115 4.518 ( -14.900 0.000 0.024) 14.900 4.836 ( 18.338 -0.000 1.931) 18.440 4.989 ( 7.738 -0.000 -5.486) 9.486 5.307 ( -0.818 0.000 -1.998) 2.159 5.973 ( -7.101 0.000 9.716) 12.034 6.245 ( 4.020 -0.000 -4.470) 6.012 6.340 ( -5.308 0.000 3.571) 6.398 6.533 ( 0.667 -0.000 -5.906) 5.944 6.595 ( -1.673 0.000 -5.656) 5.898 7.550 ( 0.065 -0.000 -0.597) 0.601 7.820 ( -0.381 0.000 10.944) 10.951 8.505 ( -1.140 0.000 1.118) 1.597 8.668 ( -3.025 0.000 8.918) 9.417 9.286 ( 6.869 -0.000 -0.781) 6.913 9.459 ( -2.094 0.000 5.558) 5.940 9.901 ( -6.626 0.000 -2.255) 6.999 10.053 ( 4.716 -0.000 8.994) 10.155 10.358 ( -1.186 0.000 2.436) 2.710 10.417 ( 1.689 -0.000 5.176) 5.444 10.798 ( 1.951 -0.000 9.643) 9.838 10.844 ( 3.180 -0.000 -8.710) 9.273 11.330 ( -13.659 0.000 -3.642) 14.136 11.369 ( 9.868 -0.000 -9.795) 13.904 12.061 ( -11.910 0.000 -4.122) 12.604 12.096 ( 20.680 -0.000 -9.007) 22.556 12.739 ( 4.793 -0.000 -14.892) 15.645 12.830 ( -3.841 0.000 -1.377) 4.080 13.899 ( 0.746 -0.000 -0.160) 0.763 14.149 ( 3.175 -0.000 -0.542) 3.221 15.508 ( 17.776 -0.000 1.079) 17.809 15.738 ( -24.576 0.000 -3.697) 24.852 ======================= Grid point 567 (281/468) ======================= q-point: (-0.45 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( -0.919 3.266 1.938) 3.907 2.791 ( -7.666 7.314 -2.611) 10.912 3.008 ( -9.520 -8.672 7.409) 14.857 3.149 ( 6.284 -6.178 16.735) 18.914 3.544 ( 4.242 1.563 -1.548) 4.779 4.365 ( -14.244 -5.196 0.906) 15.189 4.939 ( 9.588 8.960 -5.090) 14.076 5.083 ( 8.969 -6.036 -5.479) 12.120 5.356 ( 12.541 5.155 0.460) 13.567 5.901 ( -10.456 3.352 0.213) 10.982 6.173 ( 1.176 8.055 -0.883) 8.188 6.359 ( -1.014 -12.061 -5.114) 13.140 6.502 ( -0.355 1.532 -2.223) 2.723 6.536 ( 1.687 -1.086 -2.843) 3.479 7.588 ( 3.328 -1.968 1.527) 4.157 7.940 ( -2.096 -0.623 9.725) 9.968 8.557 ( 3.668 -1.597 4.671) 6.150 8.748 ( -3.158 -0.746 8.682) 9.269 9.299 ( 3.332 11.086 1.872) 11.726 9.539 ( -0.414 -7.552 2.227) 7.884 9.772 ( -8.917 -0.601 -3.911) 9.755 10.092 ( -1.574 1.528 -5.125) 5.575 10.384 ( -0.229 10.395 7.902) 13.059 10.537 ( -2.741 -4.659 11.779) 12.960 10.727 ( -0.951 1.624 -6.937) 7.188 10.907 ( -0.671 -4.372 0.914) 4.517 11.169 ( -9.418 -6.125 0.143) 11.235 11.374 ( 6.840 0.958 -4.998) 8.526 11.901 ( -10.069 -1.641 -0.792) 10.232 12.231 ( 20.450 5.044 -8.618) 22.758 12.604 ( 6.164 -2.488 -17.234) 18.472 12.908 ( 3.448 -1.858 11.806) 12.439 13.846 ( -2.216 3.430 -4.041) 5.745 14.198 ( 1.056 -1.571 3.200) 3.718 15.299 ( -23.162 8.142 -8.016) 25.826 15.760 ( 16.505 -6.764 -4.902) 18.498 ======================= Grid point 568 (282/468) ======================= q-point: (-0.36 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -6.731 0.397 4.488) 8.100 2.625 ( -4.529 3.127 -3.512) 6.529 3.053 ( -5.800 -5.923 4.375) 9.373 3.478 ( 4.996 -5.483 12.434) 14.479 3.655 ( 11.533 -1.720 7.013) 13.607 4.266 ( -9.404 -7.869 -2.413) 12.497 4.875 ( 4.911 8.963 -6.532) 12.129 5.132 ( 6.785 -1.296 -7.102) 9.907 5.438 ( 8.764 11.488 -0.154) 14.450 5.745 ( -1.295 1.734 -7.637) 7.938 6.104 ( -5.030 3.232 0.482) 5.999 6.366 ( -0.338 -6.672 -6.361) 9.224 6.476 ( -0.138 -1.922 -1.064) 2.201 6.548 ( 3.596 -0.203 -1.276) 3.821 7.702 ( 6.074 -1.183 5.217) 8.094 8.032 ( 0.443 -3.100 4.850) 5.773 8.727 ( 4.368 -1.373 8.518) 9.671 8.798 ( -2.295 1.595 6.872) 7.419 9.253 ( -0.327 10.515 2.329) 10.775 9.509 ( -8.976 0.149 -6.857) 11.296 9.658 ( 0.614 -4.288 -4.586) 6.308 9.957 ( -4.308 0.374 -6.049) 7.436 10.398 ( -0.295 3.064 5.179) 6.024 10.541 ( -17.208 0.139 6.105) 18.259 10.685 ( 1.167 0.726 0.574) 1.489 10.917 ( -2.471 -3.735 0.464) 4.503 11.270 ( -1.201 -8.593 13.377) 15.944 11.382 ( 3.415 5.100 0.211) 6.141 11.806 ( -8.806 -5.597 -0.982) 10.481 12.255 ( 15.667 10.639 -13.350) 23.170 12.574 ( 13.231 -7.545 -13.233) 20.177 13.188 ( 6.862 -2.637 16.959) 18.484 13.707 ( -3.536 5.284 -4.883) 8.017 14.255 ( -3.669 -0.212 4.594) 5.883 14.838 ( -21.279 2.794 -10.537) 23.909 15.929 ( 18.878 -2.177 -9.674) 21.324 ======================= Grid point 569 (283/468) ======================= q-point: (-0.27 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -10.356 -3.875 4.042) 11.773 2.532 ( -2.490 0.694 -2.262) 3.435 3.081 ( -2.928 -4.493 2.683) 5.997 3.675 ( 1.192 -3.058 9.238) 9.804 3.984 ( 10.894 -5.378 9.757) 15.582 4.220 ( 3.052 -7.124 -5.160) 9.311 4.765 ( 0.617 6.144 -5.248) 8.104 5.071 ( 2.438 7.122 -9.531) 12.146 5.369 ( 0.613 9.532 -3.266) 10.095 5.686 ( 7.159 -1.040 -8.015) 10.797 6.004 ( -4.871 4.365 0.026) 6.540 6.332 ( -1.871 -4.040 -2.916) 5.322 6.469 ( 3.085 2.671 -3.149) 5.154 6.601 ( 0.612 -4.793 1.716) 5.128 7.886 ( 8.864 -0.227 7.542) 11.641 8.124 ( 2.086 -5.606 0.519) 6.004 8.684 ( -6.334 7.500 -2.817) 10.212 8.962 ( 1.720 4.022 11.342) 12.156 9.167 ( 0.657 4.844 -1.185) 5.030 9.344 ( -3.200 -4.590 -6.316) 8.438 9.635 ( -2.802 -0.036 -1.469) 3.164 9.864 ( -2.254 -4.633 -3.830) 6.420 10.405 ( -13.160 1.558 5.121) 14.207 10.454 ( -2.120 -2.034 6.044) 6.720 10.690 ( 0.913 -1.980 -1.997) 2.957 10.935 ( -6.349 -5.445 4.669) 9.579 11.319 ( -6.871 7.777 8.384) 13.341 11.569 ( 1.553 -5.175 13.769) 14.791 11.753 ( -1.117 -1.021 0.558) 1.613 12.164 ( 13.219 8.070 -15.562) 21.956 12.661 ( 11.896 -7.338 -11.610) 18.170 13.410 ( 10.344 5.239 -4.505) 12.440 13.665 ( -6.354 -1.406 17.535) 18.704 14.095 ( -17.984 7.979 -2.456) 19.828 14.606 ( -4.728 -10.892 -4.905) 12.847 16.032 ( 19.897 2.747 -11.793) 23.292 ======================= Grid point 570 (284/468) ======================= q-point: (-0.18 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( -10.175 -4.244 1.788) 11.168 2.490 ( -5.466 -5.192 0.035) 7.539 3.135 ( -1.127 -5.568 3.002) 6.426 3.759 ( -3.102 4.383 4.385) 6.933 4.085 ( -1.543 -2.624 -0.511) 3.087 4.421 ( 11.990 -9.755 -1.734) 15.554 4.659 ( 0.919 13.614 -3.424) 14.068 4.890 ( 1.954 2.776 -6.656) 7.471 5.276 ( 2.600 3.891 -4.577) 6.546 5.676 ( 2.817 1.164 -5.268) 6.087 5.964 ( 0.450 1.133 2.529) 2.808 6.328 ( -0.727 -4.635 -0.795) 4.758 6.438 ( 2.907 3.459 -2.652) 5.239 6.678 ( 0.126 -3.450 3.493) 4.911 8.062 ( 7.809 8.071 5.450) 12.483 8.158 ( -0.056 -4.075 -5.607) 6.932 8.477 ( -8.074 1.331 -2.814) 8.653 8.922 ( -6.340 9.535 2.132) 11.647 9.226 ( 6.611 -7.275 -4.355) 10.752 9.380 ( 3.767 -2.591 4.385) 6.335 9.543 ( -5.578 2.335 -1.628) 6.262 9.913 ( 2.396 -7.996 1.802) 8.539 10.318 ( -9.441 0.247 4.904) 10.642 10.501 ( -4.698 -0.781 5.069) 6.955 10.696 ( 0.551 -3.499 -2.705) 4.457 10.957 ( -7.108 -6.489 3.808) 10.351 11.313 ( -5.227 3.494 12.874) 14.327 11.606 ( -1.057 -0.124 -3.806) 3.952 11.885 ( 2.293 9.163 10.263) 13.948 12.094 ( 10.349 3.760 -6.577) 12.826 12.650 ( 6.028 -3.591 -15.019) 16.577 13.399 ( 12.110 6.305 -8.895) 16.295 13.628 ( -24.151 4.620 6.164) 25.350 14.019 ( 0.842 -3.654 13.868) 14.366 14.641 ( -0.808 -16.201 -5.616) 17.166 16.098 ( 19.794 7.984 -9.487) 23.358 ======================= Grid point 571 (285/468) ======================= q-point: (-0.09 -0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -10.218 -5.554 2.690) 11.937 2.470 ( -8.633 -10.029 -0.289) 13.236 3.220 ( 0.488 -6.392 3.175) 7.154 3.632 ( -6.935 12.810 -0.033) 14.567 3.980 ( -7.710 11.306 -6.570) 15.180 4.473 ( -1.153 0.799 0.804) 1.617 4.573 ( 5.894 -7.486 -6.761) 11.683 4.973 ( 8.311 -0.012 1.625) 8.469 5.250 ( 4.552 2.795 -4.212) 6.803 5.649 ( 1.445 0.554 1.264) 1.998 6.009 ( -1.478 -3.973 1.270) 4.425 6.383 ( 4.400 -4.766 -0.287) 6.493 6.441 ( 3.611 1.472 0.505) 3.932 6.733 ( -0.205 1.147 3.409) 3.603 7.958 ( 1.204 11.468 -12.282) 16.847 8.109 ( -4.511 6.158 5.557) 9.442 8.499 ( -1.687 -11.092 3.553) 11.769 8.776 ( -7.017 5.366 -0.355) 8.841 9.284 ( 1.284 0.972 -6.970) 7.153 9.413 ( -2.150 -3.286 5.911) 7.097 9.584 ( 10.755 -3.635 -1.547) 11.457 10.009 ( -1.380 -3.494 0.379) 3.776 10.313 ( -4.503 -4.371 6.001) 8.683 10.470 ( -6.229 2.256 3.956) 7.716 10.665 ( -4.224 -3.543 -5.025) 7.460 10.987 ( 0.242 -4.750 2.399) 5.327 11.436 ( -6.415 -5.436 8.122) 11.690 11.571 ( 7.409 9.307 0.619) 11.912 11.791 ( 1.738 5.617 -6.894) 9.061 12.152 ( 0.991 7.052 1.939) 7.380 12.617 ( 9.868 0.631 -2.867) 10.295 13.223 ( -15.879 6.869 0.248) 17.303 13.588 ( 7.168 -3.383 -1.002) 7.989 14.198 ( -1.822 -3.078 7.575) 8.377 14.710 ( 1.053 -18.747 -6.841) 19.984 16.162 ( 16.925 11.983 -3.285) 20.996 ======================= Grid point 578 (286/468) ======================= q-point: (-0.45 0.55 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( -9.337 0.000 4.177) 10.228 2.643 ( -7.319 0.000 -5.586) 9.207 3.008 ( -1.405 0.000 5.238) 5.423 3.424 ( 8.098 -0.000 13.180) 15.469 3.648 ( 10.196 -0.000 4.702) 11.228 4.189 ( -12.116 0.000 1.111) 12.167 5.022 ( 6.536 -0.000 -7.630) 10.047 5.042 ( 5.907 -0.000 -7.963) 9.914 5.563 ( 16.773 -0.000 -3.387) 17.111 5.762 ( -10.075 0.000 -2.936) 10.494 6.138 ( -6.469 0.000 -4.335) 7.787 6.282 ( 5.822 -0.000 -2.395) 6.295 6.453 ( -4.510 0.000 0.854) 4.590 6.560 ( 5.802 -0.000 -3.716) 6.890 7.692 ( 7.207 -0.000 5.005) 8.775 8.006 ( -1.762 0.000 5.628) 5.897 8.714 ( 6.697 -0.000 10.871) 12.768 8.806 ( -3.254 0.000 6.813) 7.550 9.424 ( -0.714 0.000 2.161) 2.276 9.481 ( -3.656 0.000 -0.121) 3.658 9.570 ( -6.721 0.000 -9.101) 11.314 9.963 ( -4.137 0.000 -9.533) 10.392 10.468 ( -0.064 0.000 0.543) 0.547 10.509 ( -17.934 0.000 7.984) 19.631 10.687 ( -1.238 0.000 0.799) 1.473 10.895 ( -2.283 0.000 0.392) 2.316 11.177 ( 1.908 -0.000 15.955) 16.068 11.438 ( 6.756 -0.000 -0.113) 6.756 11.749 ( -10.793 0.000 -0.626) 10.811 12.408 ( 18.527 -0.000 -7.563) 20.012 12.448 ( 10.007 -0.000 -20.333) 22.662 13.164 ( 7.019 -0.000 17.977) 19.299 13.758 ( -3.690 0.000 -5.662) 6.759 14.247 ( -1.044 0.000 5.218) 5.322 14.862 ( -27.112 0.000 -12.403) 29.815 15.912 ( 21.616 -0.000 -8.130) 23.094 ======================= Grid point 580 (287/468) ======================= q-point: (-0.36 -0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -13.800 -1.056 5.231) 14.796 2.515 ( -5.387 -1.622 -3.694) 6.730 3.045 ( 0.553 -0.388 0.781) 1.033 3.634 ( 4.816 -1.314 8.223) 9.620 3.932 ( 15.129 -0.967 10.728) 18.572 4.100 ( -5.265 -5.023 -0.184) 7.279 4.902 ( 2.056 9.110 -8.049) 12.329 5.059 ( 4.279 -6.537 -9.200) 12.070 5.555 ( -4.832 9.085 -4.609) 11.275 5.685 ( 10.077 -0.252 -7.962) 12.846 6.033 ( -4.008 -0.760 -2.018) 4.551 6.308 ( 2.299 1.512 -2.177) 3.509 6.446 ( -1.800 -4.094 2.113) 4.947 6.572 ( 4.406 0.517 -3.975) 5.956 7.877 ( 8.278 -0.419 8.358) 11.771 8.055 ( 0.671 -2.210 2.171) 3.170 8.805 ( -3.812 5.154 2.204) 6.779 8.973 ( 6.504 -1.157 14.289) 15.742 9.253 ( -9.855 -0.138 -8.729) 13.165 9.338 ( -5.709 6.690 -4.333) 9.805 9.582 ( 1.756 -5.481 0.390) 5.769 9.806 ( -3.087 -1.764 -7.688) 8.470 10.381 ( -15.968 -1.347 6.986) 17.482 10.482 ( -0.682 1.851 3.549) 4.061 10.671 ( -1.025 0.043 -0.424) 1.110 10.860 ( -4.488 -2.996 -0.343) 5.407 11.396 ( -14.479 0.730 17.211) 22.503 11.530 ( 6.778 1.054 5.126) 8.563 11.721 ( 5.952 -2.050 6.603) 9.123 12.303 ( 13.082 6.827 -19.154) 24.179 12.534 ( 12.155 -6.410 -10.619) 17.367 13.463 ( 11.201 1.057 6.439) 12.963 13.665 ( -6.404 0.863 7.326) 9.768 14.231 ( -12.043 7.667 -0.850) 14.302 14.422 ( -15.898 -9.638 -9.372) 20.820 16.071 ( 22.545 1.359 -9.733) 24.594 ======================= Grid point 581 (288/468) ======================= q-point: (-0.27 -0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( -15.273 -4.000 4.936) 16.542 2.423 ( -7.406 -3.229 -2.202) 8.374 3.060 ( -0.350 -3.036 -0.067) 3.057 3.788 ( 1.455 0.234 8.562) 8.688 4.061 ( 1.231 -1.374 -0.923) 2.063 4.281 ( 10.072 -4.637 4.676) 12.034 4.781 ( 2.809 2.441 -4.256) 5.654 4.986 ( 0.369 3.644 -11.452) 12.024 5.366 ( 1.156 7.880 -6.342) 10.181 5.694 ( 3.945 0.802 -3.672) 5.449 5.993 ( -0.007 0.606 -1.274) 1.411 6.281 ( -0.991 0.848 -0.298) 1.338 6.479 ( 3.061 -0.090 -3.105) 4.361 6.596 ( 0.627 -4.884 1.571) 5.169 8.094 ( 4.296 -2.243 1.433) 5.053 8.107 ( 4.167 -1.451 7.623) 8.808 8.624 ( -8.290 12.715 -5.391) 16.108 9.033 ( -7.927 -0.074 -6.983) 10.564 9.161 ( 0.318 1.918 0.626) 2.042 9.309 ( 5.309 -4.486 9.423) 11.710 9.598 ( -2.070 3.266 -1.179) 4.042 9.776 ( 2.408 -7.653 -0.770) 8.060 10.305 ( -11.833 -1.818 5.722) 13.269 10.509 ( -2.142 2.139 5.572) 6.341 10.649 ( -0.490 -1.411 -2.630) 3.024 10.839 ( -5.171 -7.030 0.152) 8.729 11.338 ( -14.970 -0.134 10.291) 18.166 11.633 ( 5.220 2.628 2.446) 6.335 12.012 ( 5.843 4.748 17.989) 19.501 12.180 ( 13.153 6.507 -14.764) 20.816 12.548 ( 6.560 -7.540 -14.551) 17.653 13.507 ( 14.302 5.530 -10.579) 18.629 13.718 ( -26.137 5.309 8.620) 28.029 13.971 ( -1.455 -1.458 8.378) 8.627 14.374 ( -4.672 -14.114 -5.229) 15.760 16.213 ( 22.340 4.998 -7.896) 24.216 ======================= Grid point 582 (289/468) ======================= q-point: (-0.18 -0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -15.083 -6.412 4.808) 17.080 2.329 ( -11.659 -6.169 0.125) 13.191 3.099 ( -2.621 -7.610 2.228) 8.351 3.833 ( -3.544 9.038 4.798) 10.829 4.049 ( 0.743 2.303 -4.317) 4.949 4.384 ( 1.846 -7.598 -1.773) 8.018 4.705 ( -3.288 16.606 -8.035) 18.738 4.886 ( 6.159 -10.456 -2.830) 12.460 5.344 ( 11.971 7.705 -2.334) 14.426 5.688 ( -0.841 2.103 1.846) 2.921 5.961 ( -2.871 -0.854 -1.857) 3.524 6.297 ( 3.129 -4.090 -0.361) 5.162 6.473 ( 4.240 1.807 -2.280) 5.142 6.691 ( -0.550 -6.046 4.788) 7.732 8.052 ( -1.793 1.997 -7.321) 7.798 8.321 ( 7.276 6.715 9.334) 13.608 8.356 ( -9.680 2.979 -1.339) 10.217 8.828 ( -8.068 0.261 -6.397) 10.300 9.235 ( 5.997 -2.541 1.205) 6.624 9.462 ( -1.649 4.137 -0.464) 4.478 9.543 ( 6.333 -0.337 2.812) 6.938 9.919 ( 2.070 -6.837 4.752) 8.580 10.254 ( -7.318 -2.130 3.750) 8.494 10.505 ( -5.509 2.085 4.041) 7.143 10.606 ( -3.245 -3.430 -4.704) 6.665 10.870 ( -0.403 -8.361 0.511) 8.386 11.340 ( -8.013 -4.572 10.140) 13.709 11.694 ( 3.462 5.097 1.865) 6.437 11.945 ( 5.203 11.124 -12.818) 17.752 12.269 ( 1.868 5.783 3.761) 7.147 12.580 ( 10.850 -4.594 -0.322) 11.787 13.340 ( -17.880 6.596 -3.978) 19.469 13.566 ( 7.727 0.760 -2.404) 8.128 14.137 ( -2.460 -3.685 6.428) 7.807 14.398 ( -1.411 -17.064 -2.798) 17.350 16.346 ( 19.849 9.129 -3.468) 22.122 ======================= Grid point 583 (290/468) ======================= q-point: (-0.09 -0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -15.158 -7.651 4.717) 17.622 2.239 ( -15.774 -9.507 1.631) 18.490 3.187 ( -3.884 -11.906 5.347) 13.617 3.691 ( -4.468 15.513 1.707) 16.233 3.882 ( -7.260 10.049 -8.259) 14.896 4.494 ( 2.765 -1.289 2.597) 4.006 4.517 ( 2.433 -1.976 -2.639) 4.097 5.017 ( 4.374 -10.384 -0.853) 11.300 5.332 ( 6.465 15.403 -5.600) 17.618 5.708 ( -2.906 0.867 6.944) 7.577 5.897 ( -6.955 -6.345 -3.066) 9.901 6.401 ( 7.452 -5.720 -3.216) 9.929 6.529 ( 7.162 0.665 2.461) 7.602 6.789 ( -0.096 -2.005 6.175) 6.493 7.853 ( -4.395 7.053 -9.005) 12.253 8.233 ( -4.162 6.129 4.624) 8.733 8.452 ( -1.518 -1.437 2.352) 3.147 8.726 ( 0.110 0.139 0.530) 0.559 9.232 ( -0.089 4.758 -6.938) 8.413 9.487 ( 2.720 -1.989 8.358) 9.011 9.663 ( 6.037 -0.387 -0.692) 6.089 9.953 ( -4.670 -0.183 0.028) 4.674 10.290 ( -1.701 -4.786 3.141) 5.972 10.456 ( -5.555 -1.000 -1.200) 5.771 10.527 ( -0.097 -0.562 -2.462) 2.527 10.979 ( 3.704 -9.880 -0.162) 10.552 11.370 ( -5.816 4.328 -4.766) 8.676 11.578 ( -0.809 -1.438 -5.524) 5.765 11.952 ( 10.198 5.184 6.746) 13.281 12.218 ( 3.275 7.396 -1.930) 8.316 12.778 ( 3.084 0.562 7.828) 8.432 13.105 ( -8.783 1.956 2.742) 9.406 13.609 ( 3.988 -1.642 -5.115) 6.690 14.111 ( -1.866 -7.573 -9.808) 12.531 14.556 ( -0.234 -13.705 5.090) 14.621 16.456 ( 14.407 12.637 1.250) 19.205 ======================= Grid point 591 (291/468) ======================= q-point: (-0.36 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( -17.604 0.000 6.204) 18.666 2.390 ( -7.527 0.000 -2.519) 7.937 3.034 ( -0.694 0.000 -2.234) 2.339 3.793 ( 5.348 -0.000 7.656) 9.339 4.032 ( -2.330 0.000 1.492) 2.767 4.258 ( 14.685 -0.000 9.230) 17.345 4.797 ( -3.850 0.000 -13.877) 14.401 5.001 ( 4.858 -0.000 -4.186) 6.413 5.463 ( 0.708 -0.000 -7.236) 7.271 5.699 ( 3.823 -0.000 -5.261) 6.503 5.983 ( 0.766 -0.000 -2.510) 2.624 6.340 ( 2.578 -0.000 -1.337) 2.904 6.423 ( -4.040 0.000 4.518) 6.061 6.563 ( 3.696 -0.000 -5.517) 6.641 8.074 ( 1.047 -0.000 0.394) 1.118 8.089 ( 6.250 -0.000 10.715) 12.405 8.779 ( -6.754 0.000 -2.592) 7.234 8.979 ( -7.101 0.000 -11.729) 13.711 9.217 ( -5.526 0.000 -2.892) 6.237 9.256 ( 6.000 -0.000 16.106) 17.187 9.650 ( 3.530 -0.000 5.873) 6.853 9.679 ( -0.024 0.000 -8.439) 8.440 10.282 ( -12.939 0.000 7.278) 14.845 10.537 ( -0.155 0.000 4.251) 4.254 10.656 ( -2.230 0.000 -0.169) 2.237 10.753 ( -4.550 0.000 -4.032) 6.079 11.333 ( -16.824 0.000 9.827) 19.484 11.661 ( 5.854 -0.000 4.440) 7.347 12.049 ( 7.992 -0.000 21.247) 22.700 12.268 ( 17.297 -0.000 -18.578) 25.384 12.452 ( 3.082 -0.000 -13.853) 14.191 13.558 ( 11.859 -0.000 -9.475) 15.180 13.774 ( -19.083 0.000 13.157) 23.179 13.971 ( -6.264 0.000 -2.072) 6.598 14.226 ( -6.589 0.000 -1.702) 6.805 16.257 ( 23.237 -0.000 -7.463) 24.406 ======================= Grid point 592 (292/468) ======================= q-point: (-0.27 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.136 ( -18.611 -2.564 7.780) 20.334 2.255 ( -12.522 -2.424 -0.734) 12.776 2.990 ( -5.610 -3.952 -0.366) 6.872 3.930 ( 2.033 3.840 7.611) 8.764 4.067 ( 3.369 -2.793 0.311) 4.387 4.399 ( 0.609 10.874 -3.963) 11.590 4.651 ( 1.814 -15.515 -6.361) 16.867 4.935 ( -1.121 7.744 -7.357) 10.740 5.478 ( 15.185 6.500 -1.455) 16.582 5.677 ( -1.194 -2.390 -1.175) 2.918 5.961 ( -1.437 -0.603 -2.317) 2.793 6.307 ( -0.172 6.104 0.606) 6.137 6.475 ( 1.258 -3.761 1.109) 4.118 6.561 ( 1.229 -5.746 -1.063) 5.972 8.072 ( -0.808 0.563 -1.626) 1.901 8.263 ( -2.093 -2.179 7.517) 8.101 8.584 ( -3.191 10.195 -2.716) 11.023 8.797 ( -4.720 -2.995 -9.654) 11.156 9.212 ( 2.945 -0.678 3.331) 4.497 9.507 ( 3.921 1.773 10.032) 10.916 9.568 ( 2.468 1.472 -6.382) 6.999 9.809 ( 3.908 -4.523 7.980) 9.971 10.229 ( -9.752 -1.007 5.604) 11.293 10.545 ( -4.239 0.656 -0.077) 4.290 10.574 ( -3.661 2.146 -3.666) 5.608 10.725 ( -0.352 -7.522 0.117) 7.531 11.291 ( -9.243 -1.240 9.404) 13.244 11.750 ( 0.781 1.616 1.159) 2.136 12.137 ( 8.352 10.229 -11.401) 17.446 12.305 ( 1.960 -2.808 -7.338) 8.098 12.500 ( 12.257 -2.856 12.334) 17.622 13.426 ( -23.274 2.770 -5.333) 24.037 13.605 ( 14.134 2.829 -8.075) 16.522 14.081 ( -5.985 -2.889 -4.001) 7.757 14.170 ( -2.152 -7.576 12.087) 14.427 16.457 ( 21.698 3.451 -3.500) 22.247 ======================= Grid point 593 (293/468) ======================= q-point: (-0.18 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( -17.850 -4.513 8.236) 20.169 2.108 ( -18.333 -5.563 2.942) 19.383 2.967 ( -12.681 -11.649 5.002) 17.931 3.938 ( -3.076 11.581 4.769) 12.897 4.023 ( 1.383 9.096 -10.951) 14.303 4.329 ( 2.590 -9.391 0.567) 9.758 4.707 ( -2.770 8.409 -5.826) 10.598 4.816 ( 7.165 -7.790 -1.260) 10.659 5.569 ( 9.688 9.025 -2.953) 13.566 5.703 ( -1.449 -2.172 3.693) 4.523 5.859 ( -8.812 3.337 -1.775) 9.588 6.316 ( 4.871 -2.186 -1.066) 5.445 6.543 ( 7.119 0.543 2.045) 7.427 6.674 ( 0.041 -10.630 4.617) 11.590 7.968 ( -5.266 6.128 -4.829) 9.413 8.215 ( -9.969 -4.485 0.098) 10.932 8.562 ( 3.992 9.353 0.665) 10.191 8.709 ( 2.293 -1.576 0.415) 2.813 9.294 ( 4.099 1.696 -3.947) 5.938 9.467 ( 1.843 0.001 0.602) 1.939 9.687 ( 3.659 2.815 6.690) 8.128 9.964 ( -0.454 0.600 5.400) 5.452 10.207 ( -3.951 -3.508 4.257) 6.785 10.438 ( -4.775 -1.344 -6.538) 8.207 10.504 ( -0.716 -2.041 -1.374) 2.562 10.826 ( 2.070 -7.211 1.944) 7.749 11.360 ( -1.654 -3.703 7.806) 8.797 11.581 ( -9.270 2.152 -13.728) 16.704 12.094 ( 10.835 9.648 0.676) 14.524 12.302 ( 5.526 1.184 -3.582) 6.691 12.789 ( 4.093 1.234 12.266) 12.990 13.114 ( -13.148 -0.668 -2.953) 13.492 13.626 ( 5.029 3.606 -6.261) 8.803 13.946 ( -1.511 -10.991 -14.024) 17.882 14.380 ( -2.854 -6.588 13.465) 15.259 16.638 ( 17.704 7.975 0.253) 19.419 ======================= Grid point 594 (294/468) ======================= q-point: (-0.09 -0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -23.254 -5.196 1.780) 23.894 1.998 ( -17.670 -8.864 7.315) 21.078 3.029 ( -15.986 -20.752 12.753) 29.135 3.790 ( 0.373 12.972 -10.832) 16.904 3.846 ( -2.303 14.611 6.315) 16.083 4.487 ( 3.966 -8.567 -0.726) 9.469 4.609 ( 2.043 4.720 5.532) 7.553 4.973 ( 7.659 -9.452 -1.590) 12.269 5.476 ( 1.075 18.594 -3.736) 18.997 5.672 ( -9.889 -7.581 -3.790) 13.024 5.745 ( -7.709 1.782 6.140) 10.015 6.386 ( 5.108 -5.135 -3.593) 8.085 6.681 ( 8.311 2.409 2.398) 8.980 6.838 ( 2.911 -8.319 5.149) 10.208 7.767 ( -7.868 7.799 -2.262) 11.307 8.179 ( -5.750 -7.646 1.406) 9.670 8.490 ( 4.788 8.925 -4.491) 11.079 8.833 ( 5.118 0.863 5.876) 7.840 9.170 ( -0.830 4.216 -9.644) 10.558 9.619 ( 3.843 -4.636 9.531) 11.274 9.713 ( -1.895 6.612 1.572) 7.056 9.934 ( -3.862 5.041 3.977) 7.492 10.263 ( 0.320 -2.062 -3.062) 3.706 10.333 ( -1.636 -2.505 -2.071) 3.639 10.577 ( 9.106 -4.143 -0.681) 10.027 10.854 ( -3.658 -4.552 -10.826) 12.301 11.246 ( -5.805 3.524 -3.148) 7.485 11.569 ( 6.718 -8.763 1.549) 11.150 12.118 ( 4.857 9.272 -4.444) 11.372 12.361 ( 1.937 1.928 9.466) 9.852 12.804 ( -3.056 1.350 -0.468) 3.374 13.132 ( 2.028 -4.989 5.248) 7.519 13.503 ( -3.241 -1.114 -9.584) 10.178 13.911 ( 3.976 -7.957 -9.467) 12.991 14.537 ( -4.153 -8.033 8.874) 12.670 16.749 ( 11.106 12.742 2.189) 17.044 ======================= Grid point 603 (295/468) ======================= q-point: (-0.27 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -19.650 0.000 11.266) 22.650 2.057 ( -18.327 0.000 2.142) 18.452 2.857 ( -15.683 0.000 3.925) 16.167 4.082 ( 4.268 -0.000 4.329) 6.078 4.086 ( 2.979 -0.000 -2.384) 3.815 4.256 ( -7.770 0.000 -8.941) 11.846 4.627 ( 8.021 -0.000 -3.105) 8.601 4.883 ( 0.995 -0.000 -3.172) 3.324 5.593 ( -4.850 0.000 -2.845) 5.623 5.728 ( 15.544 -0.000 0.054) 15.544 5.894 ( -7.639 0.000 0.665) 7.668 6.358 ( -1.201 0.000 1.614) 2.012 6.492 ( 2.171 -0.000 4.021) 4.569 6.566 ( 6.630 -0.000 0.209) 6.633 8.035 ( -4.211 0.000 -0.586) 4.251 8.161 ( -12.238 0.000 -2.506) 12.492 8.664 ( 2.520 -0.000 -8.249) 8.626 8.683 ( 5.257 -0.000 6.271) 8.183 9.298 ( 3.843 -0.000 1.488) 4.121 9.478 ( 2.216 -0.000 -7.394) 7.719 9.720 ( 3.333 -0.000 10.420) 10.940 9.965 ( 4.727 -0.000 9.850) 10.926 10.181 ( -7.697 0.000 4.769) 9.055 10.420 ( -2.380 0.000 -8.477) 8.805 10.483 ( -4.273 0.000 -4.386) 6.123 10.759 ( 2.761 -0.000 5.244) 5.926 11.322 ( -2.708 0.000 7.713) 8.174 11.604 ( -10.526 0.000 -13.516) 17.131 12.237 ( 12.506 -0.000 -7.056) 14.359 12.254 ( 5.393 -0.000 2.323) 5.873 12.808 ( 5.783 -0.000 15.758) 16.786 13.102 ( -16.456 0.000 -7.535) 18.099 13.699 ( 12.387 -0.000 -6.266) 13.881 13.804 ( -8.707 0.000 -14.953) 17.304 14.325 ( -3.453 0.000 15.604) 15.981 16.709 ( 19.107 -0.000 -0.002) 19.107 ======================= Grid point 604 (296/468) ======================= q-point: (-0.18 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -23.172 -0.805 5.267) 23.777 1.889 ( -21.457 -3.628 7.544) 23.032 2.745 ( -23.851 -9.919 14.185) 29.469 3.965 ( 2.107 6.442 -10.341) 12.365 4.076 ( 1.789 11.605 1.294) 11.813 4.305 ( 3.062 -10.582 3.686) 11.617 4.651 ( 0.968 -2.250 -0.899) 2.610 4.935 ( 10.240 4.102 0.982) 11.075 5.499 ( -7.268 -6.112 -3.719) 10.199 5.767 ( -10.606 6.030 0.704) 12.220 5.797 ( 1.628 5.413 -1.068) 5.752 6.347 ( 0.825 1.741 0.434) 1.975 6.638 ( 3.724 -11.323 1.859) 12.064 6.715 ( 10.270 0.601 5.309) 11.577 7.905 ( -8.532 8.011 -0.652) 11.722 8.045 ( -8.134 -7.738 0.031) 11.227 8.620 ( 8.578 5.002 -6.328) 11.774 8.826 ( 4.302 -1.010 5.314) 6.911 9.222 ( -0.297 1.625 -13.901) 13.999 9.538 ( 1.599 -3.230 8.859) 9.564 9.828 ( -0.133 5.004 5.868) 7.714 10.070 ( -0.602 9.119 5.805) 10.827 10.206 ( -0.306 -5.391 5.895) 7.994 10.301 ( 1.890 0.028 -10.111) 10.286 10.458 ( 4.748 -7.143 -3.008) 9.089 10.829 ( -0.495 0.376 -1.783) 1.888 11.296 ( -9.131 1.748 -6.659) 11.436 11.412 ( 1.830 -6.442 2.501) 7.148 12.276 ( 8.517 7.337 -3.570) 11.795 12.378 ( -0.155 -0.865 7.127) 7.181 12.840 ( -4.296 2.665 -6.233) 8.026 13.033 ( 0.629 -5.287 6.864) 8.687 13.510 ( -6.233 1.168 -11.927) 13.508 13.786 ( 8.003 -5.130 -6.065) 11.276 14.448 ( -5.544 -2.494 11.116) 12.670 16.911 ( 14.621 5.249 1.070) 15.572 ======================= Grid point 605 (297/468) ======================= q-point: (-0.09 -0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -29.109 -2.779 -1.946) 29.306 1.799 ( -19.745 -9.721 11.326) 24.752 2.828 ( -22.027 -19.120 23.436) 37.417 3.801 ( 4.414 14.500 -9.796) 18.048 4.070 ( 4.116 8.210 6.976) 11.533 4.464 ( 1.906 -5.211 4.569) 7.188 4.736 ( 1.236 -1.900 9.159) 9.435 5.019 ( 9.478 1.417 -4.859) 10.745 5.420 ( -8.903 -9.300 -3.450) 13.329 5.570 ( -7.013 12.952 1.247) 14.782 5.743 ( -4.463 2.666 3.496) 6.265 6.367 ( 2.713 -2.722 -1.700) 4.202 6.754 ( 2.581 -6.283 -2.402) 7.205 6.861 ( 2.476 -0.833 1.165) 2.860 7.749 ( -7.151 7.703 4.026) 11.255 8.054 ( -4.205 -9.442 1.295) 10.417 8.633 ( 12.282 10.374 -3.043) 16.362 8.913 ( 2.411 -1.730 -3.113) 4.301 9.035 ( -3.326 -0.651 -5.622) 6.565 9.721 ( 2.298 -6.768 8.458) 11.074 9.794 ( -2.756 8.538 3.726) 9.715 10.023 ( -3.502 10.328 2.799) 11.259 10.189 ( 5.424 0.367 -11.523) 12.741 10.353 ( 1.843 -2.805 6.539) 7.350 10.518 ( 1.627 -3.525 -13.184) 13.744 10.720 ( 2.938 -0.255 -0.814) 3.059 11.257 ( 1.058 0.927 3.949) 4.192 11.525 ( 3.065 -14.176 -5.139) 15.387 12.168 ( 0.956 12.904 -7.752) 15.084 12.411 ( -10.803 -1.950 7.323) 13.196 12.820 ( 10.696 -2.177 -5.320) 12.143 13.128 ( -0.841 -4.757 3.282) 5.840 13.378 ( -1.976 -1.888 -0.992) 2.907 13.840 ( 5.430 -3.908 -4.725) 8.191 14.509 ( -7.112 -5.299 6.402) 10.938 16.985 ( 7.614 11.408 -0.695) 13.733 ======================= Grid point 615 (298/468) ======================= q-point: (-0.18 -0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -31.383 0.000 -4.176) 31.660 1.697 ( -22.373 0.000 13.075) 25.913 2.654 ( -24.174 0.000 26.954) 36.207 3.965 ( 6.172 -0.000 -3.898) 7.300 4.100 ( 5.965 -0.000 -11.660) 13.097 4.427 ( 2.621 -0.000 18.249) 18.436 4.697 ( 1.584 -0.000 6.339) 6.534 5.096 ( 11.794 -0.000 -3.104) 12.195 5.298 ( -10.686 0.000 -4.432) 11.568 5.665 ( -13.860 0.000 4.886) 14.696 5.797 ( 0.480 -0.000 -3.550) 3.582 6.358 ( -2.241 0.000 1.491) 2.691 6.640 ( 5.321 -0.000 -3.143) 6.180 6.873 ( 3.753 -0.000 3.103) 4.870 7.888 ( -9.014 0.000 4.472) 10.062 7.901 ( -4.051 0.000 0.845) 4.139 8.744 ( 16.876 -0.000 -3.220) 17.180 8.890 ( 1.933 -0.000 -2.802) 3.404 9.016 ( -5.854 0.000 -7.914) 9.843 9.661 ( 1.055 -0.000 10.290) 10.344 9.869 ( -3.832 0.000 0.685) 3.893 10.163 ( 3.240 -0.000 -19.859) 20.122 10.182 ( -2.385 0.000 5.587) 6.075 10.294 ( 5.079 -0.000 6.765) 8.460 10.501 ( 11.551 -0.000 -0.212) 11.553 10.715 ( -4.793 0.000 -6.415) 8.008 11.304 ( 1.877 -0.000 10.880) 11.041 11.342 ( -2.473 0.000 -10.493) 10.781 12.337 ( 9.018 -0.000 -10.860) 14.116 12.354 ( -18.585 0.000 9.144) 20.713 12.790 ( 10.386 -0.000 -6.944) 12.493 13.085 ( -1.165 0.000 6.521) 6.624 13.363 ( -3.041 0.000 -1.388) 3.343 13.801 ( 6.567 -0.000 -4.165) 7.776 14.464 ( -7.727 0.000 6.333) 9.991 17.089 ( 10.057 -0.000 -2.035) 10.261 ======================= Grid point 616 (299/468) ======================= q-point: (-0.09 -0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -27.196 -5.031 3.452) 27.872 1.670 ( -17.637 -6.591 18.310) 26.263 2.756 ( -21.332 -8.744 26.164) 34.872 3.897 ( 7.037 15.450 -7.525) 18.570 4.127 ( 5.900 -9.940 -4.444) 12.384 4.648 ( -3.296 7.397 15.035) 17.077 4.814 ( -4.657 -0.531 7.536) 8.875 5.087 ( 8.204 4.464 -3.955) 10.142 5.238 ( -1.371 -8.086 1.069) 8.271 5.571 ( -9.218 2.065 6.062) 11.225 5.789 ( 3.780 2.409 0.847) 4.562 6.354 ( -0.518 -2.368 0.159) 2.429 6.650 ( 1.316 -4.753 -7.039) 8.595 6.859 ( -4.839 2.650 -1.693) 5.770 7.810 ( -4.660 6.512 6.886) 10.561 7.960 ( -2.246 -8.827 3.439) 9.736 8.720 ( -4.401 2.553 -9.517) 10.792 8.931 ( 14.247 5.725 2.185) 15.509 9.040 ( 6.425 -2.352 1.404) 6.984 9.729 ( -9.648 -0.277 -8.336) 12.753 9.828 ( 1.443 -3.354 6.287) 7.271 9.924 ( 4.445 0.737 -14.836) 15.505 10.207 ( -2.492 3.748 5.736) 7.291 10.454 ( 4.284 -1.373 5.515) 7.117 10.525 ( 1.519 14.439 -1.008) 14.554 10.761 ( 11.840 -9.331 -1.451) 15.145 11.080 ( -8.125 -9.827 -21.927) 25.365 11.517 ( 4.926 -1.473 11.215) 12.337 12.170 ( -12.011 7.830 3.665) 14.799 12.334 ( 3.378 -2.277 -4.714) 6.231 12.871 ( 9.241 -1.225 -3.591) 9.990 13.104 ( -8.957 -1.240 1.801) 9.220 13.432 ( 6.426 -1.221 8.475) 10.706 13.842 ( 6.265 -1.755 -2.885) 7.117 14.417 ( -9.258 -3.738 1.102) 10.045 17.089 ( 3.468 6.706 -6.872) 10.209 ======================= Grid point 627 (300/468) ======================= q-point: (-0.09 -0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -1.886 0.000 22.389) 22.469 1.717 ( -11.107 0.000 22.005) 24.649 2.766 ( -19.063 0.000 21.216) 28.522 4.013 ( 8.412 -0.000 -8.081) 11.665 4.051 ( 4.734 -0.000 -2.334) 5.278 4.612 ( -19.384 0.000 5.345) 20.107 4.865 ( -2.107 0.000 2.750) 3.465 5.030 ( 0.796 -0.000 -10.818) 10.847 5.496 ( 10.202 -0.000 21.558) 23.850 5.563 ( -6.067 0.000 8.732) 10.633 5.868 ( 7.680 -0.000 -3.213) 8.324 6.320 ( -2.261 0.000 0.492) 2.314 6.550 ( 1.298 -0.000 -9.495) 9.584 6.753 ( -6.815 0.000 -4.140) 7.974 7.875 ( -4.472 0.000 8.189) 9.331 7.975 ( 1.106 -0.000 6.455) 6.549 8.597 ( -1.769 0.000 -3.385) 3.819 9.106 ( 5.525 -0.000 2.127) 5.920 9.189 ( 6.990 -0.000 -5.918) 9.159 9.413 ( -1.233 0.000 -10.056) 10.131 9.878 ( 7.143 -0.000 -7.692) 10.497 9.951 ( 5.092 -0.000 6.335) 8.127 10.181 ( -13.518 0.000 -3.183) 13.887 10.551 ( -1.986 0.000 4.591) 5.002 10.552 ( -7.323 0.000 -12.559) 14.538 10.639 ( 5.072 -0.000 -1.996) 5.450 10.934 ( 14.576 -0.000 -0.387) 14.581 11.688 ( 1.474 -0.000 6.143) 6.317 12.138 ( -12.546 0.000 14.778) 19.385 12.359 ( 12.848 -0.000 -8.558) 15.437 12.927 ( 3.388 -0.000 0.514) 3.427 12.935 ( -11.709 0.000 -5.441) 12.912 13.647 ( 4.736 -0.000 11.762) 12.679 13.903 ( 8.956 -0.000 -1.117) 9.026 14.245 ( -10.536 0.000 -5.418) 11.848 17.015 ( -0.149 0.000 -12.192) 12.193 ======================= Grid point 628 (301/468) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 0.909 -0.000 8.190) 8.240 2.367 ( 7.376 -0.000 12.912) 14.870 3.015 ( 6.557 -0.000 6.154) 8.993 3.935 ( 2.803 -0.000 -9.126) 9.547 4.036 ( -3.946 0.000 -2.493) 4.667 4.478 ( 6.917 -0.000 -8.113) 10.662 4.497 ( -10.384 0.000 9.324) 13.956 4.902 ( -6.291 0.000 -0.655) 6.325 5.311 ( -4.581 0.000 -13.737) 14.480 5.624 ( -3.661 0.000 -4.185) 5.560 6.033 ( 3.571 -0.000 4.233) 5.539 6.332 ( 1.036 -0.000 -2.460) 2.670 6.491 ( 1.709 -0.000 0.405) 1.757 6.492 ( -1.322 0.000 -0.439) 1.393 8.029 ( -6.525 0.000 -3.069) 7.211 8.313 ( 9.349 -0.000 -3.564) 10.005 8.672 ( -6.713 0.000 7.851) 10.330 8.788 ( -3.746 0.000 9.169) 9.905 9.221 ( 1.084 -0.000 -1.275) 1.673 9.438 ( -4.955 0.000 2.288) 5.458 9.567 ( 10.505 -0.000 -8.042) 13.230 9.805 ( 8.254 -0.000 -6.043) 10.230 10.420 ( 6.528 -0.000 13.261) 14.781 10.597 ( -5.319 0.000 9.492) 10.881 10.651 ( -3.156 0.000 4.672) 5.638 10.694 ( 3.529 -0.000 -1.941) 4.027 11.408 ( 1.979 -0.000 8.006) 8.247 11.784 ( 4.208 -0.000 -0.495) 4.237 11.974 ( -10.373 0.000 -12.893) 16.548 12.106 ( -16.939 0.000 -4.618) 17.557 12.610 ( 24.251 -0.000 -5.992) 24.980 13.275 ( -17.499 0.000 -17.359) 24.649 13.734 ( 0.885 -0.000 24.424) 24.440 13.994 ( -12.997 0.000 8.175) 15.355 14.336 ( 21.835 -0.000 4.765) 22.349 16.174 ( -1.572 0.000 -24.146) 24.197 ======================= Grid point 629 (302/468) ======================= q-point: ( 0.09 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( 2.075 1.318 4.790) 5.384 2.527 ( 4.921 -1.364 1.982) 5.477 3.258 ( 10.396 -4.531 8.141) 13.961 3.759 ( -5.371 2.686 -14.223) 15.439 3.909 ( -10.735 -5.210 -4.049) 12.600 4.450 ( 6.895 8.120 -0.051) 10.653 4.624 ( 4.033 -9.615 2.532) 10.730 4.774 ( -8.758 5.221 0.463) 10.207 5.148 ( -0.967 1.191 -3.639) 3.949 5.584 ( 2.666 -1.747 -2.749) 4.209 6.116 ( 3.529 4.369 3.276) 6.502 6.287 ( 0.672 2.254 -3.535) 4.246 6.448 ( -0.440 2.257 1.254) 2.620 6.561 ( 0.229 -9.522 -2.064) 9.746 7.868 ( -10.472 0.744 -2.911) 10.895 8.333 ( 6.791 -0.040 -10.206) 12.258 8.662 ( -8.180 3.622 10.594) 13.866 8.890 ( -0.117 1.587 7.352) 7.523 9.232 ( 1.059 -0.401 3.420) 3.603 9.443 ( 3.561 5.059 -1.566) 6.382 9.582 ( 6.739 -1.478 -5.768) 8.992 9.855 ( 7.640 -6.237 -5.484) 11.285 10.540 ( -4.499 10.309 8.106) 13.864 10.637 ( -2.260 -0.149 2.084) 3.077 10.764 ( -1.878 -11.796 13.853) 18.291 10.802 ( 5.643 -0.213 8.871) 10.516 11.409 ( -7.749 2.016 -2.088) 8.274 11.719 ( -3.520 6.101 -8.015) 10.670 11.829 ( 3.229 -1.624 -4.684) 5.916 11.891 ( -11.711 -5.430 2.154) 13.087 12.783 ( -1.024 6.884 -14.052) 15.681 12.908 ( 10.864 -5.466 -8.887) 15.063 13.901 ( -17.760 -2.488 6.154) 18.960 14.010 ( -0.790 0.408 19.572) 19.593 14.720 ( 21.260 -0.371 11.886) 24.360 15.835 ( 1.088 1.775 -27.834) 27.912 ======================= Grid point 630 (303/468) ======================= q-point: ( 0.18 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 1.080 2.309 3.370) 4.226 2.607 ( 7.348 -0.560 -2.717) 7.854 3.445 ( -1.080 1.839 -4.287) 4.788 3.499 ( -3.848 -5.989 -4.686) 8.523 3.773 ( -14.703 -10.964 -2.550) 18.517 4.448 ( 8.365 5.582 -7.801) 12.727 4.648 ( -3.675 5.291 5.450) 8.438 4.834 ( 8.050 -6.229 3.257) 10.687 5.158 ( -0.124 1.539 6.549) 6.728 5.616 ( 7.566 4.009 -2.507) 8.922 6.135 ( 2.062 5.840 2.489) 6.675 6.248 ( 3.059 -0.207 -3.823) 4.901 6.470 ( -1.255 -2.092 3.127) 3.966 6.594 ( -0.904 -6.809 -3.679) 7.792 7.732 ( -8.228 -1.421 0.606) 8.371 8.237 ( 0.208 1.247 -9.939) 10.019 8.683 ( -6.316 0.135 9.201) 11.161 8.909 ( -1.313 6.335 3.306) 7.266 9.308 ( -3.784 -2.641 2.570) 5.282 9.404 ( 14.881 10.860 -5.896) 19.343 9.608 ( 2.245 -1.441 -2.276) 3.507 9.958 ( 6.485 -8.925 -4.427) 11.887 10.507 ( -2.363 6.208 6.461) 9.267 10.579 ( -7.037 0.017 0.096) 7.037 10.898 ( -3.753 4.181 2.038) 5.976 11.029 ( 4.569 -4.886 12.265) 13.971 11.281 ( -10.643 -0.056 2.610) 10.959 11.506 ( -7.957 -7.751 -8.683) 14.100 11.825 ( 1.789 3.761 2.427) 4.821 11.973 ( 2.664 -1.754 8.589) 9.162 12.413 ( -5.044 -2.153 -22.439) 23.099 13.127 ( 15.269 0.612 1.733) 15.379 13.761 ( -16.183 -1.576 3.652) 16.665 14.199 ( -1.008 -0.597 12.371) 12.426 15.098 ( 13.483 6.539 10.864) 18.509 15.528 ( 8.143 -2.942 -24.469) 25.955 ======================= Grid point 631 (304/468) ======================= q-point: (-0.73 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( -1.636 3.276 3.173) 4.846 2.627 ( 4.534 2.390 -6.134) 7.993 3.253 ( -2.964 -5.461 -11.810) 13.345 3.539 ( -6.207 -2.199 5.626) 8.661 3.681 ( -15.653 -13.298 1.520) 20.595 4.415 ( 7.782 -2.842 -9.701) 12.758 4.672 ( 0.963 7.048 7.354) 10.232 5.001 ( 7.307 1.151 3.151) 8.041 5.233 ( -0.053 4.432 7.467) 8.683 5.643 ( 9.316 5.813 -1.401) 11.070 6.118 ( 0.460 4.673 -1.018) 4.804 6.315 ( 8.155 -2.273 0.997) 8.525 6.498 ( -2.276 0.244 1.884) 2.965 6.583 ( -0.989 -7.449 -3.220) 8.175 7.705 ( -4.292 -4.362 2.437) 6.587 8.114 ( -4.210 -0.635 -3.349) 5.417 8.713 ( -4.424 -1.168 4.952) 6.742 8.846 ( -4.502 6.657 1.435) 8.164 9.230 ( -3.222 2.275 -3.441) 5.235 9.486 ( 15.621 6.458 -4.491) 17.490 9.610 ( -0.645 -0.041 0.901) 1.109 10.011 ( 2.035 -4.042 -4.673) 6.505 10.454 ( -7.809 0.704 -0.247) 7.844 10.582 ( 0.972 2.057 6.271) 6.671 10.764 ( -0.023 6.676 -8.508) 10.815 11.067 ( -16.357 -4.622 -0.859) 17.019 11.286 ( 4.389 -4.805 5.494) 8.517 11.460 ( -7.533 -7.448 -2.766) 10.949 11.882 ( 6.046 9.613 9.411) 14.749 12.012 ( -4.582 -3.610 -7.546) 9.538 12.364 ( 13.011 -7.070 4.437) 15.458 13.250 ( -4.048 -1.451 4.479) 6.209 13.656 ( -2.192 2.952 0.334) 3.692 14.294 ( -2.401 -0.978 4.202) 4.937 15.007 ( 4.706 11.711 -17.688) 21.730 15.692 ( 15.994 -7.275 7.364) 19.051 ======================= Grid point 632 (305/468) ======================= q-point: (-0.64 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -7.395 1.352 -2.249) 7.847 2.535 ( -1.228 6.987 -2.636) 7.569 3.188 ( 1.164 -8.729 -8.144) 11.995 3.522 ( -8.760 -4.496 3.258) 10.371 3.683 ( -11.593 -11.283 10.275) 19.165 4.454 ( 7.102 -7.307 -6.196) 11.926 4.709 ( 1.036 9.447 6.691) 11.623 5.049 ( 1.667 8.389 2.646) 8.953 5.264 ( 3.395 7.055 3.502) 8.577 5.727 ( 5.801 1.214 2.736) 6.527 6.047 ( -0.491 3.998 -4.655) 6.156 6.442 ( 6.111 2.386 2.358) 6.972 6.474 ( 2.258 1.095 -2.247) 3.368 6.648 ( 2.035 -10.066 0.263) 10.273 7.718 ( -4.143 -3.069 1.975) 5.521 8.104 ( -4.382 -7.277 5.408) 10.070 8.705 ( -0.467 6.309 -0.826) 6.380 8.725 ( -9.817 -0.481 1.506) 9.943 9.139 ( -2.086 1.093 -3.317) 4.068 9.547 ( 8.564 0.299 -5.369) 10.112 9.635 ( 2.411 4.428 4.840) 6.989 9.992 ( 1.003 -0.169 -2.774) 2.955 10.356 ( -6.232 -1.086 -1.220) 6.442 10.532 ( -3.568 2.067 -12.939) 13.580 10.626 ( -6.463 2.959 4.170) 8.242 11.039 ( 4.978 -6.134 -0.397) 7.910 11.252 ( -6.595 3.595 -10.415) 12.841 11.419 ( -4.227 -9.171 -0.138) 10.099 11.914 ( 2.315 -3.973 -7.308) 8.634 12.102 ( 11.651 8.049 16.406) 21.672 12.701 ( 9.623 -5.273 12.214) 16.419 13.194 ( -14.698 -3.840 5.461) 16.143 13.634 ( 5.032 6.008 -3.630) 8.637 14.218 ( -3.294 3.449 -9.490) 10.621 14.815 ( 5.829 6.815 -8.415) 12.297 16.048 ( 12.582 -6.566 10.187) 17.469 ======================= Grid point 633 (306/468) ======================= q-point: (-0.55 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( -13.712 1.001 -6.503) 15.209 2.429 ( -6.398 9.812 3.909) 12.349 3.181 ( 1.791 -9.327 -8.769) 12.927 3.559 ( -2.787 -9.474 6.199) 11.660 3.787 ( -10.712 -5.501 14.522) 18.865 4.570 ( 7.220 -6.642 1.477) 9.921 4.661 ( -1.347 15.541 3.134) 15.911 5.048 ( 0.628 -3.393 0.393) 3.473 5.268 ( 3.596 14.718 3.945) 15.656 5.804 ( -1.682 -2.894 4.286) 5.438 5.914 ( -3.474 5.611 -6.316) 9.134 6.463 ( 2.548 6.858 -0.035) 7.316 6.510 ( 6.970 -2.919 -2.632) 8.002 6.790 ( 6.452 -7.862 -0.422) 10.180 7.716 ( -6.485 -2.328 5.705) 8.945 8.215 ( -2.584 -8.797 5.667) 10.778 8.528 ( -9.381 7.162 -2.447) 12.053 8.735 ( 2.761 -2.864 0.758) 4.049 9.078 ( -1.502 0.025 -2.098) 2.580 9.559 ( 0.907 -4.896 -5.100) 7.127 9.725 ( 3.092 2.251 8.896) 9.683 9.992 ( 2.386 3.417 1.364) 4.386 10.236 ( -2.352 2.127 -12.957) 13.340 10.351 ( -5.723 -5.968 -2.012) 8.510 10.594 ( 1.384 4.059 0.229) 4.295 10.944 ( -10.630 0.149 -13.884) 17.487 11.195 ( 7.995 1.111 2.849) 8.560 11.443 ( 0.446 -7.780 -2.352) 8.140 11.905 ( 4.845 -2.662 -7.103) 9.000 12.405 ( 12.571 7.226 15.861) 21.489 12.860 ( -7.641 -2.370 3.459) 8.716 13.194 ( -0.186 -2.129 6.142) 6.503 13.553 ( 0.485 5.514 -5.840) 8.046 13.992 ( -0.233 5.957 -12.728) 14.055 14.792 ( 2.467 4.303 1.432) 5.163 16.359 ( 8.882 -7.997 7.986) 14.375 ======================= Grid point 634 (307/468) ======================= q-point: (-0.45 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -18.161 4.874 -4.049) 19.235 2.311 ( -9.621 10.208 7.391) 15.855 3.193 ( 4.383 -11.050 -8.650) 14.702 3.699 ( -4.547 0.114 7.765) 8.999 3.865 ( -7.600 -6.017 15.392) 18.190 4.551 ( -0.648 7.708 -0.365) 7.744 4.783 ( 8.475 -1.613 9.513) 12.842 5.081 ( -2.494 -3.447 -1.660) 4.567 5.240 ( 3.995 8.099 4.116) 9.924 5.710 ( -7.629 6.229 -6.243) 11.661 5.850 ( -4.565 -1.915 6.064) 7.828 6.421 ( 2.492 6.224 -2.002) 6.997 6.614 ( 6.312 -5.592 -0.993) 8.491 6.872 ( 2.338 -4.244 -5.273) 7.161 7.748 ( -5.850 -1.342 9.075) 10.880 8.316 ( -0.086 -7.804 0.392) 7.814 8.327 ( -4.275 8.553 -1.051) 9.620 8.826 ( 3.009 -5.376 -0.658) 6.195 9.043 ( -1.229 1.144 -0.102) 1.682 9.551 ( -1.654 -9.825 -4.376) 10.882 9.889 ( 1.996 -2.390 11.326) 11.746 9.973 ( -2.821 5.166 -2.352) 6.338 10.065 ( 5.032 2.372 -7.527) 9.360 10.381 ( -0.431 -4.186 3.683) 5.592 10.542 ( 1.321 4.501 -12.443) 13.298 10.708 ( -4.362 0.834 0.152) 4.443 11.272 ( 3.561 2.760 0.440) 4.526 11.529 ( 7.014 -8.707 -3.313) 11.661 11.860 ( 2.409 0.893 -9.992) 10.317 12.630 ( 2.389 4.006 9.851) 10.899 12.750 ( -4.584 0.136 -5.325) 7.028 13.245 ( 3.307 3.642 0.381) 4.934 13.478 ( -1.479 4.009 1.070) 4.405 13.847 ( 2.552 2.658 -6.315) 7.311 14.794 ( -1.789 6.108 4.237) 7.646 16.599 ( 5.016 -10.336 3.749) 12.085 ======================= Grid point 635 (308/468) ======================= q-point: (-0.36 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -16.545 10.524 2.738) 19.799 2.208 ( -11.041 10.269 11.114) 18.731 3.260 ( 5.594 -8.722 -5.583) 11.770 3.598 ( -12.002 10.357 7.420) 17.504 4.102 ( 1.456 -10.544 9.534) 14.290 4.538 ( -0.989 -5.232 3.002) 6.113 4.857 ( -1.449 11.331 -2.388) 11.670 5.147 ( 5.683 1.090 11.511) 12.884 5.343 ( 2.977 -10.199 1.810) 10.778 5.492 ( -8.169 5.118 -3.145) 10.140 5.870 ( -3.820 2.148 5.398) 6.953 6.381 ( 2.528 4.317 -1.766) 5.305 6.704 ( 2.403 -4.204 -1.971) 5.228 6.790 ( -5.760 -3.619 -7.417) 10.065 7.809 ( -2.758 -0.244 8.107) 8.567 8.196 ( -1.853 6.555 -0.023) 6.811 8.452 ( 4.416 -8.253 1.536) 9.485 8.836 ( 0.285 -2.334 -5.132) 5.645 9.039 ( 0.129 2.673 3.816) 4.661 9.549 ( 0.170 -11.236 -11.597) 16.149 9.863 ( -0.428 3.971 -2.294) 4.605 10.028 ( 4.653 4.711 1.602) 6.813 10.123 ( -0.770 -4.556 10.208) 11.206 10.327 ( -1.905 2.242 -9.020) 9.488 10.473 ( 0.844 -2.314 4.512) 5.140 10.758 ( 6.510 2.081 1.758) 7.057 11.232 ( 2.835 6.462 -10.102) 12.322 11.611 ( 4.320 3.102 -2.565) 5.905 11.778 ( 3.376 -10.563 -6.140) 12.676 12.553 ( -12.098 1.170 0.437) 12.163 12.764 ( 7.762 0.817 -0.808) 7.846 13.251 ( -4.100 2.624 0.040) 4.868 13.468 ( 3.878 2.878 4.399) 6.533 13.829 ( 4.744 2.595 -2.306) 5.879 14.731 ( -5.294 9.656 3.050) 11.426 16.745 ( 1.169 -11.861 -2.073) 12.097 ======================= Grid point 636 (309/468) ======================= q-point: (-0.27 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -7.192 13.960 14.165) 21.149 2.151 ( -9.382 9.718 14.330) 19.693 3.246 ( -7.737 6.624 2.178) 10.416 3.569 ( 3.508 -6.499 1.539) 7.544 4.214 ( 0.798 0.213 -0.025) 0.826 4.659 ( -6.109 5.412 -7.008) 10.757 4.702 ( -2.641 -16.512 8.531) 18.773 5.186 ( -5.799 8.575 -1.739) 10.497 5.472 ( 3.697 -3.515 5.170) 7.263 5.540 ( 5.979 -8.095 8.863) 13.410 5.842 ( -2.982 4.768 1.351) 5.784 6.377 ( 2.429 0.360 -0.672) 2.546 6.602 ( -3.854 4.675 -6.364) 8.787 6.727 ( -6.017 -6.538 -2.783) 9.311 7.895 ( 0.430 -1.110 7.353) 7.449 8.153 ( 0.519 7.153 3.045) 7.791 8.532 ( -2.838 -5.666 -1.281) 6.465 8.837 ( 2.223 -9.505 -3.491) 10.367 9.093 ( 4.054 3.932 4.695) 7.344 9.459 ( 3.619 -1.358 -12.931) 13.496 9.789 ( -2.832 3.958 -1.777) 5.181 10.053 ( 3.495 4.615 1.897) 6.092 10.237 ( -2.060 -3.345 -9.708) 10.472 10.254 ( -1.399 -4.222 7.522) 8.738 10.573 ( 2.156 -3.153 5.082) 6.358 10.823 ( 7.782 4.411 -1.460) 9.064 10.995 ( 1.949 15.230 -9.147) 17.872 11.647 ( 3.473 -1.632 1.762) 4.222 11.931 ( 9.408 -12.418 -2.442) 15.770 12.420 ( -10.181 0.690 2.861) 10.598 12.868 ( 4.871 -2.079 4.404) 6.888 13.083 ( -12.179 1.503 -5.341) 13.383 13.616 ( 5.795 -1.094 6.905) 9.081 13.845 ( 7.093 3.653 -2.105) 8.252 14.565 ( -7.891 13.860 -0.581) 15.960 16.772 ( -1.900 -10.921 -8.584) 14.020 ======================= Grid point 637 (310/468) ======================= q-point: (-0.18 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 6.089 9.379 23.192) 25.746 2.169 ( -5.515 7.584 15.076) 17.755 3.094 ( -10.742 7.004 3.630) 13.328 3.746 ( 8.949 -9.328 0.520) 12.937 4.168 ( 0.903 6.929 -2.814) 7.533 4.490 ( -7.224 -5.204 -5.203) 10.312 4.862 ( -3.452 -7.868 2.177) 8.863 4.980 ( -9.219 6.164 -1.412) 11.179 5.586 ( 5.119 -8.311 -6.492) 11.723 5.729 ( -2.675 0.489 -0.349) 2.742 5.855 ( 2.742 -4.056 13.564) 14.421 6.360 ( -1.391 -0.972 -8.070) 8.246 6.479 ( 1.138 10.725 3.054) 11.209 6.641 ( -6.313 -3.707 -4.001) 8.343 8.008 ( 0.959 -0.770 6.878) 6.987 8.154 ( 4.005 7.267 2.957) 8.809 8.526 ( -4.344 -8.558 0.774) 9.628 8.888 ( -6.061 -10.107 -1.094) 11.835 9.171 ( 6.633 3.001 0.002) 7.280 9.400 ( 9.479 5.933 -3.985) 11.872 9.711 ( -1.512 -3.042 -5.856) 6.770 9.976 ( -8.643 4.761 -12.790) 16.154 10.102 ( 4.681 4.177 3.630) 7.248 10.408 ( 3.164 -7.541 4.952) 9.560 10.631 ( -4.014 1.156 3.315) 5.333 10.792 ( 2.496 10.052 -0.918) 10.398 11.010 ( 12.463 3.580 5.647) 14.143 11.708 ( 3.116 -2.087 -1.667) 4.104 12.113 ( 10.464 -9.106 -4.095) 14.463 12.362 ( -8.944 -3.583 3.717) 10.327 12.809 ( -12.886 4.196 -8.836) 16.178 13.054 ( 3.131 -2.751 14.944) 15.514 13.746 ( -1.502 -8.220 1.693) 8.526 13.912 ( 11.313 2.951 -0.660) 11.710 14.295 ( -8.881 18.119 -2.562) 20.341 16.672 ( -3.340 -7.586 -14.529) 16.727 ======================= Grid point 638 (311/468) ======================= q-point: (-0.09 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.003 ( 12.219 1.632 22.660) 25.796 2.250 ( -1.485 4.364 12.688) 13.499 2.980 ( -5.586 4.070 3.232) 7.630 3.918 ( 7.943 -5.172 -1.810) 9.650 4.083 ( 1.059 5.351 -2.696) 6.085 4.440 ( -5.265 -11.732 -2.615) 13.122 4.690 ( -6.513 14.909 -3.118) 16.565 4.949 ( -7.018 -7.649 1.198) 10.449 5.516 ( -1.601 -6.031 -15.507) 16.715 5.715 ( -1.925 2.022 1.498) 3.168 5.992 ( -2.668 -0.527 1.596) 3.153 6.292 ( 0.388 -6.098 -0.108) 6.111 6.461 ( 2.638 5.637 0.148) 6.225 6.561 ( -1.774 3.562 -1.206) 4.158 8.075 ( -1.159 0.049 2.948) 3.167 8.220 ( 8.381 2.622 1.209) 8.865 8.595 ( -3.817 -10.086 4.692) 11.761 8.826 ( -10.542 1.346 3.954) 11.339 9.201 ( 4.878 1.590 -1.727) 5.413 9.486 ( 11.947 -0.940 -4.255) 12.717 9.576 ( -10.648 -1.758 -6.079) 12.386 9.798 ( 6.527 4.860 -5.724) 9.949 10.212 ( 5.768 1.134 7.650) 9.648 10.551 ( 1.355 -3.675 3.553) 5.289 10.598 ( -4.130 -0.323 4.271) 5.950 10.735 ( 0.118 8.272 0.991) 8.332 11.230 ( 9.510 0.950 8.377) 12.709 11.739 ( 3.002 -1.416 -1.030) 3.475 12.185 ( -7.827 -10.103 -5.516) 13.920 12.334 ( -2.565 0.630 -1.051) 2.842 12.512 ( 1.979 5.083 -13.480) 14.542 13.362 ( -0.832 -2.427 26.191) 26.316 13.680 ( -10.639 -6.998 -13.898) 18.850 14.037 ( 0.452 5.037 4.883) 7.030 14.089 ( 8.970 9.095 2.431) 13.003 16.464 ( -3.078 -3.468 -19.627) 20.167 ======================= Grid point 640 (312/468) ======================= q-point: ( 0.09 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 2.029 -0.000 3.316) 3.887 2.598 ( 8.203 -0.000 -2.660) 8.624 3.422 ( 3.198 -0.000 6.483) 7.229 3.471 ( -8.186 0.000 -19.066) 20.749 3.685 ( -14.257 0.000 -0.418) 14.264 4.510 ( 7.285 -0.000 -14.919) 16.602 4.717 ( 3.593 -0.000 10.228) 10.841 4.738 ( -2.327 0.000 6.932) 7.313 5.173 ( 1.457 -0.000 5.680) 5.864 5.661 ( 10.735 -0.000 0.360) 10.741 6.195 ( 0.768 -0.000 1.335) 1.540 6.245 ( 0.758 -0.000 -5.460) 5.513 6.455 ( -1.080 0.000 0.213) 1.101 6.515 ( 1.145 -0.000 0.101) 1.150 7.723 ( -9.331 0.000 0.236) 9.334 8.247 ( 0.662 -0.000 -10.442) 10.463 8.685 ( -10.625 0.000 11.062) 15.338 8.970 ( -0.040 0.000 1.205) 1.205 9.286 ( -0.949 0.000 6.630) 6.697 9.556 ( 5.184 -0.000 -6.453) 8.278 9.562 ( 11.867 -0.000 -4.380) 12.650 9.848 ( 8.084 -0.000 -5.583) 9.824 10.574 ( -7.366 0.000 1.086) 7.445 10.583 ( -3.223 0.000 2.275) 3.945 10.899 ( 0.786 -0.000 8.618) 8.653 11.012 ( -2.616 0.000 18.730) 18.912 11.314 ( -3.887 0.000 0.777) 3.964 11.397 ( -12.044 0.000 -19.188) 22.655 11.880 ( 2.960 -0.000 8.777) 9.263 11.940 ( 3.726 -0.000 4.792) 6.070 12.395 ( -8.491 0.000 -23.308) 24.807 13.130 ( 12.988 -0.000 3.840) 13.544 13.751 ( -12.754 0.000 3.337) 13.184 14.191 ( -1.327 0.000 11.529) 11.606 15.156 ( 17.664 -0.000 17.688) 24.998 15.502 ( 3.784 -0.000 -30.784) 31.015 ======================= Grid point 641 (313/468) ======================= q-point: (-0.82 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -0.410 1.833 0.960) 2.110 2.653 ( 8.590 0.734 -6.138) 10.583 3.156 ( -7.477 -3.882 -15.084) 17.277 3.481 ( -9.538 -4.407 5.276) 11.758 3.567 ( -8.476 -0.604 5.312) 10.021 4.371 ( 1.369 -1.609 -13.257) 13.424 4.804 ( 4.280 8.093 7.338) 11.733 4.942 ( 7.142 -6.527 6.598) 11.710 5.303 ( 1.697 2.504 12.364) 12.729 5.770 ( 10.887 6.614 -3.158) 13.124 6.180 ( -0.840 2.218 -2.374) 3.356 6.234 ( 4.113 -5.513 -0.612) 6.906 6.479 ( 0.389 -1.042 3.133) 3.325 6.518 ( 0.039 -1.105 -2.542) 2.772 7.660 ( -5.871 -1.143 4.132) 7.270 8.113 ( -4.388 0.145 -6.182) 7.582 8.685 ( -9.390 -0.933 8.462) 12.675 8.920 ( -4.476 1.327 -2.462) 5.278 9.317 ( -2.640 6.881 4.073) 8.421 9.556 ( 1.610 -5.297 -3.131) 6.360 9.604 ( 13.645 5.543 -9.080) 17.302 9.925 ( 8.660 -4.575 -4.528) 10.790 10.493 ( -5.168 3.268 0.002) 6.115 10.597 ( 2.159 -0.695 1.966) 3.002 10.884 ( -3.494 6.510 -7.260) 10.359 10.982 ( -18.374 -4.675 -3.109) 19.212 11.210 ( -1.321 -3.214 6.090) 7.011 11.356 ( -3.634 -3.824 4.376) 6.854 11.974 ( -4.931 -0.824 -9.515) 10.749 12.046 ( 6.453 8.497 11.976) 16.040 12.232 ( 13.528 -7.709 2.173) 15.721 13.223 ( -10.173 -1.087 6.768) 12.266 13.710 ( 4.655 2.270 -0.325) 5.189 14.270 ( -2.574 -1.226 4.153) 5.038 15.159 ( 6.981 5.205 -28.432) 29.736 15.596 ( 13.126 -3.405 17.040) 21.777 ======================= Grid point 642 (314/468) ======================= q-point: (-0.73 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -4.534 0.480 -9.533) 10.567 2.638 ( 3.950 4.079 -4.420) 7.195 3.029 ( -2.407 -7.839 -4.705) 9.454 3.429 ( -14.508 -5.758 5.739) 16.630 3.596 ( -4.715 -0.265 10.556) 11.564 4.285 ( 0.979 -9.563 -9.630) 13.607 4.875 ( 6.036 10.102 6.446) 13.418 5.150 ( 6.194 -1.188 6.595) 9.126 5.408 ( -0.439 11.028 9.591) 14.622 5.774 ( 5.598 2.867 -2.929) 6.938 6.104 ( -0.786 3.350 -4.209) 5.437 6.390 ( 7.091 -8.078 0.425) 10.757 6.483 ( 1.043 -1.778 -1.322) 2.449 6.549 ( 1.818 0.760 3.611) 4.113 7.679 ( -3.790 -1.449 5.167) 6.570 8.015 ( -6.219 -3.285 0.661) 7.064 8.676 ( -7.731 -2.126 5.094) 9.499 8.795 ( -7.357 1.404 -3.262) 8.170 9.230 ( -1.897 9.824 -0.167) 10.007 9.542 ( 3.279 -1.575 -7.279) 8.137 9.660 ( 6.164 -2.412 -1.745) 6.845 9.995 ( 7.657 0.532 -2.595) 8.102 10.377 ( -6.684 4.648 -0.928) 8.194 10.558 ( -7.543 0.035 -17.129) 18.717 10.668 ( -0.769 1.283 2.412) 2.838 10.924 ( 0.781 -4.815 -1.226) 5.029 11.223 ( -10.872 -8.924 -2.863) 14.354 11.366 ( 0.841 4.262 3.736) 5.730 11.829 ( 0.882 -4.521 -8.492) 9.661 12.272 ( 12.168 10.243 16.687) 23.053 12.596 ( 13.172 -6.989 12.268) 19.309 13.130 ( -16.923 -3.063 6.133) 18.258 13.739 ( 6.213 5.558 -3.728) 9.132 14.236 ( -4.635 -0.708 -4.557) 6.538 14.907 ( 10.522 3.773 -21.130) 23.905 15.969 ( 8.732 -2.740 16.242) 18.643 ======================= Grid point 643 (315/468) ======================= q-point: (-0.64 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.264 ( -6.225 -0.035 -11.460) 13.042 2.578 ( -1.054 6.199 -1.227) 6.406 3.029 ( -3.194 -6.653 -1.995) 7.644 3.407 ( -8.032 -7.612 6.595) 12.882 3.708 ( -4.055 -2.626 13.039) 13.905 4.332 ( 0.913 -17.291 -2.828) 17.544 4.937 ( 6.382 13.980 5.706) 16.393 5.175 ( -2.091 14.131 1.326) 14.346 5.446 ( 3.449 5.038 8.391) 10.377 5.773 ( -2.900 -0.004 1.021) 3.074 5.990 ( -2.463 3.708 -6.605) 7.965 6.466 ( 7.272 -1.747 -3.655) 8.324 6.579 ( 1.013 4.964 1.690) 5.341 6.630 ( 6.030 -9.105 3.275) 11.401 7.688 ( -6.457 -0.684 5.676) 8.624 8.055 ( -3.484 -9.514 5.605) 11.579 8.623 ( -9.005 3.040 -0.279) 9.509 8.684 ( -2.841 -2.702 -0.323) 3.934 9.129 ( -1.463 6.599 -0.601) 6.786 9.495 ( 2.330 -2.767 -8.916) 9.622 9.735 ( 1.070 -2.334 3.291) 4.174 10.062 ( 7.948 4.071 0.940) 8.979 10.248 ( -7.340 -5.128 -6.775) 11.229 10.292 ( -3.198 4.938 -7.470) 9.508 10.653 ( 1.487 2.713 -2.093) 3.735 10.897 ( -7.773 -3.782 -7.553) 11.479 11.164 ( 1.922 -9.003 -3.518) 9.856 11.400 ( 3.232 5.959 3.401) 7.584 11.839 ( 5.449 -5.136 -4.803) 8.896 12.549 ( 10.751 8.324 15.110) 20.327 12.829 ( -3.622 -0.629 4.410) 5.741 13.127 ( 1.343 -5.457 7.657) 9.498 13.658 ( 0.458 6.306 -6.198) 8.854 14.059 ( -4.550 1.902 -11.662) 12.662 14.841 ( 9.634 1.457 -7.818) 12.492 16.260 ( 4.392 -3.548 12.870) 14.054 ======================= Grid point 644 (316/468) ======================= q-point: (-0.55 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( -7.728 4.804 -5.789) 10.784 2.482 ( -5.015 8.414 2.424) 10.091 3.018 ( -1.258 -7.452 -3.112) 8.173 3.541 ( -1.021 -12.341 8.736) 15.154 3.818 ( -6.865 -3.026 9.998) 12.500 4.538 ( 3.402 -21.009 5.131) 21.892 4.828 ( -3.235 20.538 -1.627) 20.854 5.108 ( 2.666 7.523 3.928) 8.896 5.495 ( -0.404 14.045 6.919) 15.662 5.781 ( -2.693 -2.744 -0.200) 3.850 5.812 ( -6.370 2.750 -2.544) 7.390 6.506 ( 2.966 2.044 -3.321) 4.900 6.572 ( 4.822 2.570 0.461) 5.484 6.764 ( 1.958 -7.044 -3.150) 7.961 7.713 ( -6.749 -2.769 10.045) 12.414 8.169 ( -1.203 -10.192 1.869) 10.431 8.471 ( -4.537 7.570 -1.060) 8.889 8.710 ( -0.756 -6.711 0.365) 6.764 9.079 ( -1.098 3.255 2.257) 4.110 9.427 ( -0.283 -4.568 -8.746) 9.871 9.817 ( -0.681 -4.717 5.078) 6.964 10.080 ( 0.184 4.531 -2.820) 5.340 10.130 ( 4.563 4.846 -4.133) 7.835 10.284 ( 0.861 -5.050 5.248) 7.334 10.588 ( -0.038 0.812 -11.650) 11.678 10.734 ( -4.219 1.767 0.420) 4.594 11.270 ( 6.601 -9.551 -3.756) 12.203 11.421 ( 3.882 4.281 0.402) 5.793 11.878 ( 5.218 -0.484 -6.079) 8.026 12.669 ( -9.891 -0.472 4.855) 11.029 12.796 ( 7.040 6.189 -2.639) 9.738 13.283 ( 6.095 0.672 2.484) 6.616 13.561 ( -0.738 5.599 -0.304) 5.656 13.869 ( -1.017 -0.094 -8.562) 8.623 14.874 ( 4.872 2.880 -0.097) 5.661 16.458 ( 0.171 -5.776 7.859) 9.755 ======================= Grid point 645 (317/468) ======================= q-point: (-0.45 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -6.757 12.352 3.030) 14.401 2.384 ( -7.019 9.821 7.026) 13.967 3.078 ( 4.948 -9.913 -2.806) 11.429 3.704 ( -5.041 -3.205 3.428) 6.887 3.877 ( -7.262 -11.404 11.651) 17.847 4.592 ( -4.465 11.746 -2.450) 12.803 4.883 ( 5.781 -22.484 8.068) 24.577 5.093 ( -0.773 13.295 2.807) 13.610 5.431 ( -0.466 9.484 1.666) 9.640 5.564 ( -7.724 6.250 -4.133) 10.762 5.885 ( -1.490 -0.792 7.065) 7.264 6.464 ( 2.100 3.883 -3.140) 5.417 6.628 ( 0.467 -1.690 0.805) 1.929 6.722 ( -0.992 -4.532 -9.321) 10.412 7.795 ( -4.516 -2.211 9.418) 10.676 8.221 ( -3.010 -6.568 -0.517) 7.243 8.408 ( 3.617 5.163 1.734) 6.538 8.746 ( -2.830 -7.046 -2.389) 7.960 9.103 ( 0.475 3.618 6.537) 7.487 9.362 ( -0.658 -8.419 -8.860) 12.239 9.901 ( 3.384 -0.885 -0.591) 3.548 10.075 ( 3.142 0.593 5.124) 6.039 10.104 ( 0.713 2.971 -0.473) 3.092 10.367 ( -4.903 0.633 -6.644) 8.282 10.448 ( 2.122 0.754 4.769) 5.273 10.782 ( 7.362 0.540 2.406) 7.764 11.321 ( 5.916 2.518 -7.249) 9.690 11.496 ( 7.867 -9.011 -2.009) 12.129 11.784 ( -0.969 5.100 -8.847) 10.258 12.555 ( -10.912 -0.677 -0.241) 10.936 12.784 ( 5.062 1.671 -4.393) 6.908 13.300 ( -4.568 2.760 -3.546) 6.408 13.526 ( 4.456 3.838 2.638) 6.446 13.857 ( 5.782 0.750 -1.179) 5.949 14.885 ( 0.443 7.460 2.761) 7.967 16.559 ( -3.489 -9.033 1.675) 9.828 ======================= Grid point 646 (318/468) ======================= q-point: (-0.36 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( -2.038 17.075 12.218) 21.095 2.325 ( -6.413 10.318 11.013) 16.398 3.215 ( 8.097 -7.497 -2.840) 11.394 3.593 ( -11.492 4.153 3.951) 12.843 4.074 ( -4.723 -15.180 7.051) 17.391 4.486 ( -4.226 -3.072 1.221) 5.365 4.896 ( -6.579 16.773 -2.313) 18.165 5.215 ( 1.157 -11.035 3.321) 11.582 5.327 ( 1.507 -4.854 -7.046) 8.688 5.527 ( 1.551 4.746 9.634) 10.851 5.913 ( -2.764 3.268 2.995) 5.224 6.407 ( 0.114 3.465 -3.014) 4.594 6.587 ( -2.499 -5.838 -5.550) 8.434 6.683 ( 1.397 1.463 -2.543) 3.250 7.871 ( -1.238 -2.358 6.678) 7.190 8.230 ( -4.046 -0.591 4.989) 6.451 8.465 ( 2.913 -0.149 -0.021) 2.917 8.696 ( -4.061 -6.446 -4.930) 9.074 9.180 ( 2.586 5.855 8.225) 10.422 9.343 ( 1.398 -9.640 -6.975) 11.981 9.898 ( 3.083 6.960 -3.012) 8.187 10.076 ( -0.410 -0.162 -1.099) 1.184 10.200 ( -0.122 -2.312 -1.181) 2.599 10.245 ( 1.129 1.492 1.968) 2.715 10.538 ( 2.280 -0.111 4.996) 5.492 10.897 ( 8.272 3.554 0.405) 9.012 11.216 ( 5.584 10.068 -10.624) 15.666 11.642 ( 3.691 0.599 -2.131) 4.304 11.704 ( 5.647 -12.552 -0.746) 13.784 12.417 ( -11.201 -0.765 -0.201) 11.229 12.825 ( 3.681 -2.869 1.402) 4.873 13.102 ( -11.256 0.499 -6.302) 12.910 13.622 ( 5.380 1.991 3.097) 6.519 13.909 ( 8.146 3.546 -1.617) 9.030 14.810 ( -2.899 13.791 1.738) 14.200 16.570 ( -5.498 -11.714 -4.987) 13.868 ======================= Grid point 647 (319/468) ======================= q-point: (-0.27 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 4.289 14.649 18.742) 24.172 2.323 ( -4.009 9.791 12.500) 16.376 3.216 ( -2.973 5.765 -2.867) 7.092 3.614 ( 2.506 -6.859 6.696) 9.908 4.139 ( -5.582 -6.924 0.248) 8.898 4.537 ( -6.232 -6.640 1.846) 9.292 4.660 ( -5.733 4.942 -0.570) 7.590 5.111 ( -4.113 3.893 -7.273) 9.218 5.434 ( 4.461 -9.899 -7.009) 12.923 5.666 ( -2.066 -4.203 7.853) 9.144 5.877 ( 0.799 4.317 3.512) 5.622 6.357 ( 2.739 1.156 -5.411) 6.174 6.562 ( -2.970 -4.973 -4.351) 7.244 6.633 ( 1.482 6.488 1.014) 6.732 7.986 ( 2.025 -2.636 6.919) 7.676 8.263 ( -4.239 -0.662 7.933) 9.019 8.392 ( -3.580 -0.059 -8.048) 8.808 8.728 ( -0.592 -8.256 2.995) 8.803 9.245 ( 4.430 6.222 3.231) 8.293 9.392 ( 2.371 -7.088 -1.375) 7.599 9.753 ( -2.753 7.959 -8.964) 12.299 10.037 ( -5.297 0.942 -5.009) 7.351 10.151 ( 5.957 2.298 -1.135) 6.485 10.345 ( 4.337 -0.535 5.447) 6.984 10.638 ( -0.805 -0.239 5.965) 6.024 10.926 ( 5.971 5.908 -3.057) 8.939 11.134 ( 9.006 10.090 0.801) 13.548 11.665 ( 2.860 -2.506 -2.120) 4.354 11.912 ( 6.653 -13.786 -1.096) 15.346 12.299 ( -8.784 -3.601 -1.199) 9.569 12.855 ( -10.891 0.032 -5.444) 12.176 12.996 ( 1.818 -3.372 11.662) 12.275 13.662 ( -0.277 -1.482 -2.112) 2.595 13.976 ( 11.041 4.129 -0.933) 11.825 14.619 ( -5.992 19.100 -0.333) 20.021 16.500 ( -5.200 -11.811 -11.559) 17.325 ======================= Grid point 648 (320/468) ======================= q-point: (-0.18 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( 7.497 6.473 19.024) 21.448 2.364 ( -0.865 7.915 11.023) 13.598 3.095 ( -1.410 8.329 0.490) 8.461 3.819 ( 6.431 -7.405 4.254) 10.691 4.103 ( -5.395 -2.735 -1.241) 6.175 4.398 ( -3.381 6.988 -2.907) 8.289 4.715 ( -7.729 -16.834 3.474) 18.846 4.916 ( -2.678 9.486 -7.705) 12.511 5.387 ( -2.797 -7.486 -12.199) 14.583 5.723 ( 1.091 -2.389 0.781) 2.741 5.958 ( 0.084 -1.112 4.157) 4.304 6.283 ( -0.194 3.960 -3.754) 5.460 6.474 ( -3.040 -1.821 -4.062) 5.391 6.669 ( 5.443 5.766 1.616) 8.092 8.076 ( -4.030 0.109 4.308) 5.900 8.300 ( 8.203 2.271 -6.602) 10.771 8.349 ( -5.524 -12.432 7.510) 15.539 8.824 ( -4.579 -2.142 8.740) 10.096 9.246 ( 2.519 3.991 -4.588) 6.582 9.450 ( -1.150 -4.247 0.478) 4.425 9.560 ( 1.044 1.641 -8.280) 8.505 9.914 ( 2.684 7.073 -4.013) 8.564 10.232 ( 3.348 1.311 5.923) 6.929 10.491 ( 5.588 -2.206 5.367) 8.056 10.637 ( -4.607 3.229 3.430) 6.589 10.884 ( 0.931 8.217 0.005) 8.269 11.273 ( 10.596 4.451 7.370) 13.653 11.691 ( 3.019 -4.184 -3.365) 6.160 11.986 ( -10.704 -12.029 -3.602) 16.500 12.282 ( 6.058 -5.612 -3.195) 8.854 12.616 ( -6.411 5.068 -9.642) 12.639 13.283 ( -1.220 -6.346 22.197) 23.118 13.584 ( -3.670 -2.810 -8.292) 9.494 14.093 ( 11.355 3.328 1.339) 11.908 14.365 ( -6.047 19.138 0.937) 20.092 16.353 ( -3.450 -9.139 -17.787) 20.293 ======================= Grid point 649 (321/468) ======================= q-point: (-0.09 0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( 3.502 -0.632 11.011) 11.572 2.441 ( 2.768 4.867 7.983) 9.751 3.096 ( 7.851 8.102 5.298) 12.464 3.916 ( -0.485 -4.006 -7.040) 8.115 4.043 ( -2.609 2.076 0.534) 3.377 4.339 ( -0.913 -3.475 1.088) 3.754 4.713 ( -0.652 12.192 -4.691) 13.080 4.781 ( -6.870 -12.615 1.270) 14.420 5.249 ( -3.504 -5.115 -10.782) 12.437 5.687 ( -1.674 4.593 -6.075) 7.797 5.995 ( 1.206 -4.385 2.715) 5.297 6.274 ( 0.802 -1.898 0.792) 2.207 6.434 ( -0.437 -1.095 -1.142) 1.641 6.657 ( 2.592 9.258 -1.488) 9.728 8.011 ( -8.583 -2.292 -1.949) 9.095 8.334 ( 9.919 1.747 -6.099) 11.774 8.525 ( -1.685 -11.633 9.154) 14.898 8.848 ( -7.222 3.436 9.126) 12.134 9.190 ( 1.171 -3.038 -3.437) 4.734 9.441 ( -3.651 0.562 1.611) 4.030 9.555 ( 7.882 -1.314 -5.417) 9.654 9.877 ( 7.755 7.061 -4.207) 11.300 10.365 ( 0.832 -4.374 9.487) 10.480 10.613 ( -1.946 2.481 4.457) 5.459 10.640 ( 4.177 -0.510 6.908) 8.088 10.816 ( -2.210 10.171 3.090) 10.857 11.423 ( 1.241 1.816 7.081) 7.415 11.740 ( 6.632 -5.619 -6.471) 10.836 11.845 ( -13.780 -8.415 -2.839) 16.394 12.213 ( -14.685 5.863 -5.373) 16.700 12.574 ( 22.409 -3.395 -7.885) 23.997 13.255 ( -13.062 -1.711 -15.210) 20.122 13.714 ( 1.615 -2.251 23.675) 23.837 14.072 ( -13.670 7.972 5.788) 16.850 14.376 ( 19.422 4.912 4.264) 20.483 16.127 ( -1.287 -5.303 -23.363) 23.991 ======================= Grid point 652 (322/468) ======================= q-point: ( 0.18 -0.82 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -3.783 0.000 -12.024) 12.605 2.667 ( 7.080 -0.000 -8.932) 11.398 2.963 ( -4.255 0.000 0.698) 4.311 3.374 ( -15.884 0.000 8.964) 18.239 3.602 ( -2.443 0.000 8.741) 9.076 4.194 ( -1.749 0.000 -11.976) 12.103 5.024 ( 7.087 -0.000 7.480) 10.304 5.066 ( 7.474 -0.000 6.120) 9.660 5.534 ( 1.756 -0.000 17.048) 17.138 5.791 ( 0.802 -0.000 -10.550) 10.580 6.159 ( 3.716 -0.000 -5.917) 6.987 6.279 ( 3.220 -0.000 6.216) 7.000 6.468 ( 0.430 -0.000 -4.683) 4.703 6.563 ( 3.479 -0.000 5.659) 6.643 7.667 ( -3.361 0.000 6.423) 7.249 7.988 ( -7.139 0.000 -1.919) 7.393 8.657 ( -8.923 0.000 6.444) 11.007 8.798 ( -8.391 0.000 -3.430) 9.065 9.400 ( -0.682 0.000 2.720) 2.804 9.460 ( -0.939 0.000 -5.286) 5.369 9.624 ( 7.294 -0.000 -9.261) 11.789 10.001 ( 11.140 -0.000 -2.251) 11.365 10.474 ( -2.390 0.000 -1.188) 2.669 10.516 ( -9.690 0.000 -17.207) 19.748 10.673 ( -0.127 0.000 0.790) 0.801 10.895 ( -1.297 0.000 -1.472) 1.962 11.125 ( -12.486 0.000 -0.545) 12.498 11.412 ( 2.014 -0.000 6.787) 7.080 11.786 ( 0.177 -0.000 -10.008) 10.009 12.404 ( 7.058 -0.000 18.413) 19.719 12.492 ( 19.875 -0.000 10.470) 22.464 13.102 ( -17.748 0.000 6.118) 18.773 13.793 ( 6.546 -0.000 -3.723) 7.531 14.223 ( -5.115 0.000 -2.923) 5.891 14.940 ( 12.187 -0.000 -26.091) 28.797 15.947 ( 7.169 -0.000 18.977) 20.286 ======================= Grid point 654 (323/468) ======================= q-point: (-0.73 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -1.471 -0.027 -14.426) 14.501 2.614 ( 2.840 -0.647 -9.112) 9.566 2.989 ( -3.511 0.577 7.806) 8.579 3.316 ( -13.928 -2.748 10.061) 17.400 3.708 ( -0.296 1.850 11.029) 11.187 4.074 ( -2.734 -10.389 -7.602) 13.160 5.144 ( 8.753 10.872 6.669) 15.469 5.292 ( 6.743 -4.387 6.948) 10.630 5.550 ( -4.778 9.535 -5.082) 11.814 5.762 ( -3.298 -2.835 8.382) 9.443 6.057 ( -3.095 3.721 -8.884) 10.117 6.427 ( 4.888 -4.175 3.581) 7.359 6.489 ( 7.239 -2.822 1.114) 7.849 6.662 ( 1.148 2.458 5.457) 6.095 7.700 ( -3.752 1.630 4.791) 6.300 7.914 ( -7.086 -5.868 2.152) 9.449 8.633 ( -6.482 -0.598 4.533) 7.932 8.656 ( -8.474 -0.681 -1.556) 8.643 9.293 ( -0.798 11.198 -3.185) 11.669 9.443 ( 2.260 -4.761 -8.764) 10.226 9.647 ( 1.921 -5.582 0.134) 5.905 10.112 ( 9.473 1.528 0.375) 9.602 10.193 ( -7.934 -1.424 -12.790) 15.118 10.395 ( -3.306 5.361 -1.669) 6.516 10.684 ( 1.196 0.889 -5.137) 5.348 10.850 ( -4.714 -1.405 -2.434) 5.489 10.995 ( -4.176 -7.455 -2.591) 8.929 11.534 ( 7.590 7.073 4.857) 11.455 11.741 ( 4.109 -5.527 -4.777) 8.382 12.646 ( 2.338 2.495 11.089) 11.604 12.862 ( 10.709 4.246 9.844) 15.153 13.022 ( -2.240 -5.989 6.306) 8.981 13.747 ( 0.463 3.278 -6.649) 7.428 14.066 ( -7.667 -0.423 -9.534) 12.242 14.852 ( 14.411 0.107 -14.721) 20.601 16.227 ( 1.673 -0.698 16.238) 16.339 ======================= Grid point 655 (324/468) ======================= q-point: (-0.64 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 1.558 3.021 -7.232) 7.991 2.540 ( 0.592 -1.463 -6.783) 6.964 3.004 ( -6.950 5.419 8.825) 12.472 3.357 ( -5.758 -8.529 9.362) 13.912 3.786 ( -2.406 0.760 4.858) 5.474 4.170 ( 1.451 -20.403 3.370) 20.730 5.163 ( -3.915 16.142 -5.512) 17.501 5.262 ( 3.929 9.849 3.922) 11.305 5.592 ( 2.671 -4.773 7.529) 9.306 5.728 ( -9.171 0.230 -1.988) 9.386 5.897 ( -1.631 5.275 -1.789) 5.804 6.541 ( 4.526 0.584 1.629) 4.845 6.608 ( 3.192 1.147 -1.022) 3.543 6.697 ( -0.854 0.596 5.350) 5.451 7.678 ( -5.921 -0.365 5.686) 8.217 7.961 ( -4.416 -13.280 1.197) 14.046 8.558 ( -5.087 2.138 1.267) 5.661 8.635 ( -3.055 -1.816 2.820) 4.537 9.167 ( -1.600 7.138 -0.862) 7.366 9.382 ( 2.970 -1.684 -9.917) 10.488 9.726 ( 0.250 -5.844 2.051) 6.199 10.062 ( -1.840 -4.506 -2.446) 5.448 10.216 ( 6.645 4.053 -0.338) 7.791 10.301 ( 0.216 6.349 2.565) 6.851 10.572 ( -3.037 -2.686 -10.058) 10.844 10.760 ( -3.463 1.280 -0.187) 3.697 11.078 ( 5.914 -9.943 -2.215) 11.779 11.561 ( 5.823 9.384 -1.019) 11.090 11.833 ( 6.232 -4.674 -2.271) 8.114 12.647 ( -10.569 -1.344 1.980) 10.836 12.916 ( 5.767 6.604 -4.162) 9.706 13.271 ( 10.601 -1.797 6.807) 12.726 13.661 ( -0.042 5.695 -1.420) 5.869 13.846 ( -4.970 -2.514 -9.982) 11.431 14.895 ( 10.804 0.084 -4.908) 11.867 16.399 ( -3.650 -1.562 11.547) 12.211 ======================= Grid point 656 (325/468) ======================= q-point: (-0.55 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 1.761 10.061 2.642) 10.550 2.497 ( 0.895 1.538 -1.516) 2.337 2.992 ( -4.495 1.909 8.154) 9.505 3.522 ( -1.513 -12.809 7.498) 14.919 3.770 ( -7.590 -3.518 1.369) 8.477 4.487 ( 6.816 -22.487 7.052) 24.533 4.845 ( -8.175 14.672 -6.022) 17.843 5.295 ( 1.884 10.656 4.522) 11.728 5.458 ( -10.878 -3.085 -9.816) 14.973 5.795 ( 0.732 12.837 3.732) 13.389 5.844 ( -1.128 -0.894 9.147) 9.260 6.503 ( 0.174 2.991 -4.237) 5.190 6.646 ( 3.093 -3.497 -3.473) 5.818 6.683 ( -3.855 5.618 1.838) 7.057 7.734 ( -3.519 -4.262 7.731) 9.504 8.024 ( -4.733 -15.408 -1.111) 16.157 8.519 ( 0.051 5.382 2.555) 5.958 8.654 ( -2.331 -2.504 1.925) 3.925 9.124 ( -2.997 -0.194 2.834) 4.129 9.319 ( 4.163 2.566 -5.293) 7.206 9.832 ( 3.615 -6.150 3.546) 7.967 10.100 ( 0.610 -2.718 1.122) 3.003 10.142 ( 1.695 5.894 -4.449) 7.577 10.392 ( -1.128 2.928 0.482) 3.175 10.463 ( 1.753 -0.235 2.753) 3.272 10.775 ( 4.506 -1.356 1.858) 5.059 11.213 ( 8.557 -9.849 -4.904) 13.938 11.526 ( 6.070 7.914 -3.866) 10.697 11.837 ( -0.107 0.562 -6.901) 6.924 12.538 ( -8.880 -1.046 -1.129) 9.012 12.819 ( 1.894 2.209 -8.824) 9.291 13.336 ( -6.050 1.425 -6.931) 9.309 13.593 ( 5.278 3.794 1.852) 6.759 13.858 ( 7.842 -0.457 0.494) 7.870 14.971 ( 6.593 2.733 0.738) 7.175 16.451 ( -8.348 -3.730 5.374) 10.606 ======================= Grid point 657 (326/468) ======================= q-point: (-0.45 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 1.516 14.672 9.585) 17.591 2.491 ( 0.099 8.211 5.751) 10.025 3.093 ( 3.175 -5.250 6.737) 9.112 3.601 ( -5.943 -3.012 -3.568) 7.558 3.778 ( -9.825 -16.270 8.857) 20.970 4.562 ( -5.948 7.014 -3.249) 9.754 4.898 ( 10.373 -16.740 6.197) 20.645 5.197 ( -8.204 9.164 0.227) 12.302 5.247 ( -7.278 -2.448 -10.046) 12.644 5.700 ( 0.610 15.072 4.521) 15.747 5.947 ( -0.931 0.618 5.406) 5.520 6.465 ( 2.196 0.790 -3.256) 4.006 6.524 ( -3.535 0.842 -6.616) 7.548 6.701 ( 2.000 0.776 0.073) 2.147 7.805 ( -1.352 -5.174 2.436) 5.877 8.100 ( -7.770 -12.908 5.857) 16.165 8.527 ( 3.065 4.217 2.273) 5.687 8.639 ( -3.461 0.715 -0.550) 3.577 9.152 ( -2.308 -7.383 1.853) 7.954 9.330 ( 4.787 7.406 4.197) 9.766 9.966 ( 7.944 -0.651 -1.686) 8.147 10.072 ( -2.745 -1.141 -1.032) 3.147 10.160 ( 2.387 -0.277 1.241) 2.704 10.284 ( -0.204 3.754 -3.073) 4.856 10.571 ( 1.742 3.192 6.764) 7.680 10.921 ( 8.510 -1.245 3.040) 9.122 11.305 ( 7.456 -2.284 -6.566) 10.194 11.518 ( 7.587 -2.941 -5.060) 9.582 11.706 ( -1.035 3.695 -5.579) 6.771 12.401 ( -11.417 -0.999 -1.891) 11.615 12.776 ( 2.324 -2.692 -2.725) 4.480 13.097 ( -11.223 -0.953 -8.341) 14.015 13.679 ( 6.196 4.257 1.635) 7.693 13.957 ( 9.409 1.954 -1.321) 9.700 15.008 ( 3.322 8.913 2.008) 9.722 16.400 ( -10.784 -7.671 -1.476) 13.316 ======================= Grid point 658 (327/468) ======================= q-point: (-0.36 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 2.734 13.714 13.035) 19.117 2.497 ( -1.141 10.792 9.160) 14.201 3.267 ( 7.099 -0.272 0.635) 7.132 3.493 ( -8.103 -6.066 2.806) 10.503 3.915 ( -10.689 -19.373 7.266) 23.288 4.458 ( -1.083 3.666 0.811) 3.908 4.900 ( -9.836 14.556 -4.727) 18.193 5.088 ( -2.738 -4.590 -9.334) 10.756 5.227 ( 4.798 -14.133 -0.216) 14.927 5.676 ( 0.405 5.845 3.447) 6.798 5.958 ( 0.798 4.764 2.434) 5.409 6.401 ( 2.486 3.492 -3.744) 5.692 6.487 ( 0.937 -3.454 -4.558) 5.795 6.698 ( 0.272 1.308 -0.509) 1.430 7.887 ( 2.276 -9.133 1.050) 9.471 8.144 ( -14.471 -7.471 7.628) 17.983 8.538 ( 2.286 11.264 -0.952) 11.533 8.611 ( 1.134 -5.302 3.163) 6.277 9.236 ( -1.026 -9.324 2.805) 9.791 9.382 ( 4.018 9.131 5.392) 11.340 9.909 ( -3.520 8.479 -12.295) 15.344 10.016 ( -1.924 -1.313 2.305) 3.277 10.204 ( 8.113 2.496 -3.044) 9.018 10.325 ( 3.450 -2.125 4.381) 5.968 10.649 ( 0.409 2.179 7.549) 7.868 11.003 ( 6.395 2.756 -3.092) 7.619 11.298 ( 8.193 7.621 -2.881) 11.554 11.606 ( -1.188 -9.236 -2.589) 9.665 11.702 ( 8.929 -4.669 -1.589) 10.200 12.244 ( -10.637 -2.675 -2.499) 11.249 12.800 ( -5.983 -5.468 -2.516) 8.487 12.953 ( -2.375 -2.023 4.612) 5.568 13.685 ( 1.774 3.667 -3.348) 5.273 14.040 ( 10.527 2.975 -1.258) 11.011 14.926 ( -1.679 16.332 -0.037) 16.418 16.295 ( -8.991 -11.579 -8.248) 16.821 ======================= Grid point 659 (328/468) ======================= q-point: (-0.27 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( 3.970 8.463 13.251) 16.216 2.505 ( -1.298 8.587 7.987) 11.799 3.233 ( 2.140 7.546 -2.125) 8.126 3.641 ( 0.427 -12.387 7.663) 14.572 4.021 ( -8.036 -12.009 7.226) 16.155 4.466 ( -0.023 -0.997 1.730) 1.997 4.600 ( -8.067 8.891 -7.092) 13.944 4.985 ( 1.642 -1.034 -10.210) 10.393 5.285 ( -3.095 -4.604 -4.428) 7.098 5.674 ( 0.751 -1.135 -0.663) 1.514 5.985 ( 3.094 3.367 1.510) 4.816 6.369 ( 1.710 5.239 -2.954) 6.253 6.437 ( -1.169 -2.100 -4.539) 5.136 6.718 ( 3.729 -0.116 0.769) 3.809 8.026 ( -6.173 -17.209 -2.660) 18.475 8.079 ( -3.930 -0.181 6.579) 7.665 8.478 ( 3.774 11.390 1.745) 12.125 8.754 ( 1.258 -5.715 7.607) 9.598 9.302 ( -6.891 -3.238 0.493) 7.629 9.404 ( 5.860 5.426 1.303) 8.092 9.623 ( -1.988 4.737 -12.710) 13.709 10.002 ( -1.541 3.094 1.159) 3.645 10.279 ( 6.959 4.191 2.824) 8.600 10.458 ( 4.768 -2.313 5.881) 7.916 10.685 ( -4.583 2.595 4.901) 7.194 10.998 ( 2.683 4.709 -0.782) 5.476 11.375 ( 11.564 6.255 4.408) 13.867 11.595 ( -0.766 -7.307 -6.480) 9.796 11.803 ( -4.702 -8.165 -1.212) 9.499 12.174 ( 1.310 -6.318 -2.605) 6.958 12.653 ( -6.926 -0.823 -8.129) 10.711 13.168 ( 0.808 -6.690 17.749) 18.985 13.588 ( -0.859 2.960 -6.733) 7.404 14.149 ( 10.851 2.859 1.061) 11.272 14.700 ( -6.879 19.573 -1.223) 20.782 16.169 ( -4.405 -11.902 -14.946) 19.608 ======================= Grid point 660 (329/468) ======================= q-point: (-0.18 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 2.579 3.154 8.835) 9.729 2.523 ( 0.514 4.598 4.792) 6.661 3.233 ( 6.988 6.654 3.302) 10.199 3.790 ( -3.288 -9.110 1.033) 9.740 4.098 ( -0.723 0.414 6.362) 6.417 4.370 ( -3.559 6.034 -4.571) 8.365 4.530 ( -3.808 -11.590 0.757) 12.223 4.881 ( 4.444 5.450 -9.579) 11.883 5.185 ( -5.456 -1.377 -4.094) 6.959 5.700 ( 3.607 -3.274 -5.411) 7.280 5.956 ( -2.385 1.642 -0.815) 3.008 6.295 ( -0.237 2.857 -1.810) 3.390 6.428 ( 1.075 0.509 0.820) 1.445 6.760 ( 3.246 2.146 -1.651) 4.227 7.941 ( -11.231 -6.177 0.126) 12.819 8.254 ( 8.679 -9.674 -1.818) 13.123 8.476 ( 2.571 6.224 4.459) 8.076 8.879 ( -4.764 -0.306 8.849) 10.054 9.148 ( -2.076 -0.781 -7.854) 8.161 9.445 ( 0.354 -0.325 -1.443) 1.521 9.549 ( 3.366 1.158 0.728) 3.633 9.984 ( 3.396 4.208 -0.313) 5.416 10.337 ( -0.041 2.104 4.101) 4.610 10.622 ( 4.508 -1.811 7.084) 8.590 10.655 ( -2.449 1.794 2.625) 4.013 10.986 ( -1.371 8.779 6.861) 11.226 11.456 ( -6.016 0.068 1.881) 6.304 11.624 ( 12.903 -4.616 -8.153) 15.946 11.734 ( -10.721 -5.114 3.628) 12.420 12.226 ( -9.600 -4.505 0.109) 10.605 12.532 ( 14.506 -1.454 -12.302) 19.075 13.238 ( -6.027 0.050 -11.273) 12.783 13.664 ( 2.582 -3.199 20.661) 21.066 14.209 ( -7.119 6.750 3.262) 10.338 14.514 ( 7.654 11.379 1.943) 13.850 16.004 ( -0.212 -8.713 -21.253) 22.971 ======================= Grid point 661 (330/468) ======================= q-point: (-0.09 0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 1.346 0.048 4.541) 4.736 2.557 ( 3.749 1.649 0.746) 4.163 3.350 ( 7.399 3.683 6.026) 10.229 3.712 ( -6.589 -1.274 -8.291) 10.667 4.070 ( -6.344 12.899 -1.843) 14.493 4.326 ( 3.467 -6.233 0.874) 7.186 4.601 ( -3.952 -12.137 0.961) 12.800 4.799 ( 7.376 7.901 -4.319) 11.640 5.119 ( -2.687 -1.333 0.512) 3.043 5.625 ( 0.884 2.232 -7.363) 7.745 6.003 ( 2.476 -6.746 3.299) 7.907 6.263 ( 1.380 -0.326 -3.354) 3.642 6.455 ( -0.386 1.876 3.739) 4.201 6.708 ( 0.090 6.242 -3.543) 7.177 7.849 ( -8.990 -1.126 -0.615) 9.082 8.316 ( 5.906 -2.954 -10.689) 12.564 8.584 ( 0.296 -3.428 9.316) 9.931 8.863 ( -6.703 -0.622 5.154) 8.478 9.185 ( 8.084 -5.665 -0.099) 9.872 9.403 ( -1.716 -0.035 -3.631) 4.017 9.595 ( 2.691 1.389 0.958) 3.176 9.991 ( 6.222 6.818 -2.142) 9.476 10.390 ( -3.241 -5.689 7.006) 9.589 10.641 ( -2.824 0.101 1.043) 3.012 10.787 ( 3.563 -2.115 8.056) 9.059 10.976 ( -2.553 11.767 9.229) 15.171 11.357 ( -7.835 -3.415 -2.116) 8.805 11.648 ( -3.282 -1.746 0.828) 3.809 11.814 ( 5.580 -1.990 2.302) 6.355 11.993 ( -13.787 4.028 -5.764) 15.477 12.668 ( 8.862 -6.102 -10.797) 15.243 12.987 ( 6.801 3.975 -14.053) 16.111 13.976 ( -14.712 2.843 14.530) 20.872 13.998 ( -5.404 2.025 10.997) 12.419 14.730 ( 18.046 0.713 8.956) 20.159 15.782 ( 3.296 -4.052 -25.972) 26.492 ======================= Grid point 665 (331/468) ======================= q-point: ( 0.27 -0.73 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( 5.690 -0.000 -7.924) 9.755 2.512 ( 0.057 -0.000 -8.041) 8.041 3.085 ( -1.003 0.000 9.465) 9.518 3.271 ( -13.929 0.000 12.665) 18.826 3.874 ( -4.684 0.000 -6.641) 8.127 3.898 ( 4.836 -0.000 11.419) 12.401 5.311 ( -5.513 0.000 -9.182) 10.710 5.414 ( 1.793 -0.000 2.107) 2.767 5.468 ( 9.137 -0.000 9.992) 13.540 5.735 ( -13.997 0.000 -7.489) 15.875 5.949 ( 2.416 -0.000 1.199) 2.697 6.512 ( 1.258 -0.000 5.837) 5.971 6.659 ( 8.953 -0.000 7.135) 11.449 6.705 ( -5.170 0.000 3.244) 6.104 7.706 ( -3.706 0.000 0.728) 3.777 7.798 ( -8.336 0.000 1.479) 8.466 8.568 ( -5.488 0.000 2.637) 6.088 8.625 ( -3.658 0.000 4.415) 5.733 9.270 ( -1.630 0.000 -7.879) 8.045 9.348 ( 4.349 -0.000 -5.972) 7.388 9.659 ( 0.863 -0.000 2.779) 2.909 10.017 ( -1.808 0.000 -2.977) 3.483 10.250 ( 8.228 -0.000 2.546) 8.613 10.395 ( -0.381 0.000 0.525) 0.649 10.521 ( -6.583 0.000 -10.335) 12.254 10.773 ( -4.146 0.000 -0.899) 4.242 10.984 ( 8.084 -0.000 -1.011) 8.147 11.689 ( 5.108 -0.000 -5.775) 7.710 11.746 ( 7.359 -0.000 3.317) 8.072 12.635 ( -10.246 0.000 1.562) 10.364 12.981 ( 3.093 -0.000 -7.370) 7.993 13.247 ( 14.064 -0.000 10.467) 17.532 13.728 ( 3.633 -0.000 0.472) 3.663 13.806 ( -10.040 0.000 -12.682) 16.175 14.893 ( 13.112 -0.000 -6.962) 14.846 16.388 ( -5.035 0.000 12.967) 13.910 ======================= Grid point 667 (332/468) ======================= q-point: (-0.64 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 8.860 5.304 2.473) 10.618 2.450 ( 1.598 -4.135 -4.498) 6.316 3.125 ( -6.056 10.621 10.916) 16.390 3.329 ( -7.108 -9.850 10.760) 16.227 3.742 ( -4.834 0.131 -3.737) 6.111 4.170 ( 9.489 -12.092 7.571) 17.134 5.035 ( -10.579 6.556 -8.658) 15.161 5.381 ( -14.672 -2.743 -13.834) 20.351 5.468 ( 1.823 6.634 3.819) 7.869 5.740 ( 7.060 -5.037 8.257) 11.975 6.013 ( 3.671 6.294 3.934) 8.281 6.559 ( -8.193 0.412 4.374) 9.296 6.631 ( 0.734 3.048 -2.783) 4.192 6.774 ( -1.352 3.866 2.865) 4.999 7.677 ( -2.284 -1.657 4.457) 5.275 7.766 ( -6.836 -11.266 -1.007) 13.216 8.566 ( -2.256 0.987 3.911) 4.621 8.645 ( -2.109 0.072 4.597) 5.058 9.150 ( -0.406 2.510 -5.437) 6.002 9.368 ( 4.792 1.776 0.631) 5.149 9.730 ( 2.499 -4.322 2.923) 5.785 10.050 ( 1.450 -1.891 3.595) 4.313 10.252 ( -0.055 5.610 -7.005) 8.974 10.419 ( -1.248 -2.087 -2.893) 3.780 10.450 ( 5.118 0.846 9.001) 10.389 10.746 ( 0.455 -1.442 0.696) 1.664 11.093 ( 10.751 -3.604 -4.304) 12.128 11.661 ( 6.261 6.540 -5.029) 10.357 11.807 ( -0.809 -3.258 -3.931) 5.169 12.525 ( -7.384 -0.455 -1.584) 7.565 12.850 ( -0.031 1.084 -12.105) 12.154 13.350 ( -7.277 0.334 -9.029) 11.601 13.644 ( 5.700 1.765 1.875) 6.254 13.848 ( 9.630 -0.510 1.559) 9.769 14.992 ( 10.530 0.284 -1.022) 10.583 16.418 ( -11.383 -0.640 7.715) 13.766 ======================= Grid point 668 (333/468) ======================= q-point: (-0.55 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 3.624 10.659 6.283) 12.893 2.547 ( 8.731 -2.807 3.040) 9.662 3.097 ( -7.609 6.618 12.670) 16.193 3.459 ( -5.541 -11.951 5.716) 14.359 3.635 ( -7.093 -1.475 -2.947) 7.822 4.491 ( 10.244 -13.675 0.993) 17.115 4.797 ( -4.230 4.455 -0.258) 6.149 5.103 ( -10.338 -7.015 -11.895) 17.250 5.410 ( -6.383 8.726 0.600) 10.828 5.924 ( 4.879 0.200 4.055) 6.348 5.996 ( -0.726 13.645 4.850) 14.499 6.463 ( -1.374 0.879 -2.775) 3.220 6.575 ( -2.361 3.323 -5.249) 6.646 6.713 ( -2.766 0.132 -0.346) 2.791 7.708 ( -2.062 -5.989 -2.786) 6.920 7.858 ( -5.114 -12.771 10.959) 17.589 8.563 ( -2.868 1.138 1.943) 3.647 8.686 ( -0.259 1.801 5.071) 5.388 9.095 ( 0.757 1.392 -0.908) 1.826 9.443 ( 3.198 4.555 6.916) 8.877 9.882 ( 7.321 -6.712 3.131) 10.414 10.042 ( -2.820 -1.242 -3.343) 4.547 10.223 ( 5.499 5.480 1.242) 7.862 10.351 ( -1.058 3.265 -3.091) 4.618 10.624 ( 2.802 2.712 9.096) 9.896 10.850 ( 6.070 -6.462 3.964) 9.712 11.194 ( 10.399 -6.072 -6.884) 13.871 11.578 ( 0.218 5.884 -7.221) 9.317 11.745 ( 2.680 0.492 -5.617) 6.243 12.388 ( -10.639 -0.483 -3.464) 11.199 12.739 ( 1.276 -1.505 -6.703) 6.987 13.078 ( -11.337 -1.100 -9.946) 15.121 13.752 ( 6.972 3.866 1.652) 8.142 13.974 ( 10.239 0.052 -1.831) 10.401 15.110 ( 9.491 3.378 1.282) 10.155 16.313 ( -16.177 -2.759 1.348) 16.466 ======================= Grid point 669 (334/468) ======================= q-point: (-0.45 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( 2.583 9.613 6.893) 12.107 2.678 ( 3.826 9.063 6.367) 11.718 3.194 ( -1.521 -6.112 13.073) 14.511 3.465 ( -2.317 1.260 -5.767) 6.341 3.583 ( -13.980 -16.678 6.929) 22.839 4.541 ( 1.812 3.126 -1.518) 3.919 4.923 ( -8.004 -6.866 -10.333) 14.764 4.980 ( 10.798 -13.049 3.746) 17.347 5.189 ( -9.249 11.803 -2.828) 15.259 5.853 ( 1.026 13.962 -2.815) 14.279 6.027 ( 0.800 3.113 4.840) 5.811 6.438 ( 2.074 -0.797 -5.427) 5.864 6.467 ( 0.758 2.151 -2.398) 3.309 6.684 ( -2.571 -2.798 -1.757) 4.187 7.713 ( -1.228 -9.888 -3.107) 10.437 8.025 ( -8.333 -6.694 13.314) 17.073 8.550 ( -0.871 -1.988 1.250) 2.504 8.712 ( 1.526 7.555 3.482) 8.458 9.123 ( 0.233 -2.220 3.650) 4.279 9.521 ( 2.267 5.757 6.513) 8.984 9.957 ( -4.212 -0.675 -2.636) 5.014 10.068 ( 4.335 2.003 -2.842) 5.557 10.194 ( 2.342 1.434 1.785) 3.275 10.343 ( 7.417 3.690 -0.507) 8.300 10.705 ( 0.263 3.794 7.445) 8.360 10.999 ( 5.739 -3.859 -2.822) 7.470 11.321 ( 4.988 -8.185 2.217) 9.839 11.439 ( -0.285 -2.043 -9.337) 9.562 11.744 ( 8.475 5.335 -2.931) 10.435 12.209 ( -11.621 -1.520 -3.006) 12.100 12.702 ( -2.802 -5.334 -5.027) 7.847 12.917 ( -4.480 -2.113 1.279) 5.116 13.766 ( 3.230 5.253 -3.378) 7.031 14.069 ( 9.810 0.426 -1.785) 9.980 15.161 ( 5.662 10.848 -0.625) 12.253 16.125 ( -15.672 -7.899 -5.236) 18.314 ======================= Grid point 670 (335/468) ======================= q-point: (-0.36 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 3.245 7.208 7.047) 10.590 2.656 ( -2.805 8.811 3.584) 9.917 3.352 ( -0.296 5.591 -2.837) 6.277 3.434 ( 0.867 -10.400 11.284) 15.370 3.698 ( -10.476 -21.520 10.374) 26.086 4.554 ( 6.380 6.699 1.028) 9.308 4.691 ( -11.272 -0.609 -12.252) 16.660 5.001 ( -0.534 5.622 -3.606) 6.700 5.198 ( 5.525 -5.687 -1.314) 8.037 5.716 ( -0.099 6.172 -5.309) 8.142 6.054 ( 2.693 4.422 1.339) 5.348 6.411 ( 1.455 -0.908 -4.959) 5.247 6.445 ( 2.272 3.264 -1.501) 4.251 6.669 ( -1.347 -5.234 -0.607) 5.438 7.766 ( -2.329 -12.479 -1.182) 12.750 8.077 ( -7.520 -0.280 8.555) 11.394 8.647 ( 3.345 -5.388 6.258) 8.910 8.684 ( 2.486 10.975 1.340) 11.332 9.206 ( -2.788 -4.617 5.605) 7.779 9.555 ( 3.175 7.789 2.334) 8.729 9.714 ( -5.878 6.543 -16.027) 18.282 10.036 ( -2.533 1.403 2.403) 3.763 10.328 ( 4.942 -0.581 5.045) 7.086 10.438 ( 8.916 2.395 3.448) 9.855 10.743 ( -5.051 4.252 6.806) 9.482 11.027 ( 2.892 -1.859 -2.391) 4.188 11.398 ( 6.642 -6.061 -6.524) 11.109 11.455 ( -5.353 -6.943 4.800) 9.995 11.772 ( 8.382 4.942 -3.777) 10.438 12.085 ( -4.811 -3.840 -1.884) 6.438 12.600 ( -5.343 -4.866 -8.622) 11.250 13.061 ( 2.290 -5.734 14.761) 16.000 13.669 ( 0.320 6.015 -6.861) 9.130 14.179 ( 9.482 0.531 0.776) 9.528 15.019 ( -4.824 17.550 -3.004) 18.447 15.962 ( -6.613 -12.003 -11.897) 18.148 ======================= Grid point 671 (336/468) ======================= q-point: (-0.27 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( 3.106 4.452 5.111) 7.455 2.593 ( -2.707 3.494 1.186) 4.576 3.306 ( -0.596 1.729 1.786) 2.556 3.641 ( 1.003 -7.632 7.256) 10.578 3.932 ( -3.100 -16.938 12.502) 21.279 4.413 ( -7.377 0.593 -10.551) 12.888 4.576 ( 6.100 9.839 -1.287) 11.647 4.928 ( 3.102 3.194 -6.154) 7.596 5.203 ( -1.321 2.336 -1.984) 3.338 5.642 ( 3.392 -2.036 -6.603) 7.697 6.022 ( -1.227 5.066 -2.244) 5.675 6.334 ( 0.535 1.309 -6.589) 6.739 6.456 ( 0.822 2.523 3.357) 4.279 6.722 ( 0.818 -6.323 -0.573) 6.402 7.812 ( -4.791 -7.828 2.124) 9.421 8.135 ( 2.952 -4.099 2.826) 5.788 8.627 ( 1.476 10.282 0.470) 10.398 8.835 ( 2.458 -4.041 9.015) 10.180 9.172 ( -6.989 2.759 -5.284) 9.186 9.443 ( 0.662 0.919 -8.272) 8.349 9.592 ( 2.151 3.461 3.419) 5.319 10.018 ( -2.792 0.361 1.471) 3.176 10.408 ( 1.895 3.913 2.501) 5.016 10.584 ( 4.280 -1.520 6.145) 7.641 10.683 ( -4.923 2.113 0.793) 5.416 11.084 ( -1.432 1.854 9.978) 10.250 11.385 ( -6.063 -5.682 -5.694) 10.073 11.566 ( 3.039 -6.407 6.957) 9.934 11.740 ( 5.120 7.448 -4.855) 10.260 12.107 ( -5.732 -7.839 2.251) 9.968 12.493 ( 7.831 -3.749 -13.063) 15.686 13.246 ( -0.027 0.070 -3.399) 3.400 13.628 ( 1.918 -0.279 12.269) 12.421 14.285 ( 1.500 2.148 2.882) 3.895 14.742 ( -6.591 14.345 -1.839) 15.893 15.846 ( 2.447 -9.359 -18.275) 20.678 ======================= Grid point 672 (337/468) ======================= q-point: (-0.18 0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.457 ( 1.225 2.511 2.465) 3.726 2.570 ( 0.851 -0.309 -0.411) 0.995 3.342 ( -2.573 -3.884 4.258) 6.312 3.730 ( 0.550 1.897 -0.739) 2.109 4.183 ( 4.483 -6.570 8.615) 11.725 4.273 ( -6.788 -2.494 -0.950) 7.294 4.481 ( 1.354 7.220 -6.266) 9.655 4.872 ( 6.897 0.968 -8.632) 11.092 5.143 ( -2.663 4.603 2.771) 5.996 5.630 ( 3.858 -2.194 -8.814) 9.868 5.947 ( -1.434 0.904 1.885) 2.535 6.268 ( 3.009 0.714 -5.919) 6.678 6.490 ( -1.738 1.759 5.119) 5.685 6.743 ( -1.039 -2.318 -1.892) 3.167 7.840 ( -2.371 0.108 2.939) 3.778 8.231 ( 4.757 -5.985 -5.384) 9.351 8.581 ( -0.435 2.943 2.537) 3.910 8.893 ( -6.809 4.366 3.790) 8.932 9.092 ( 7.854 -4.349 -3.348) 9.582 9.386 ( 1.181 -1.937 -5.490) 5.941 9.646 ( -2.379 3.630 6.975) 8.215 10.019 ( -0.229 -3.178 0.869) 3.303 10.388 ( -1.633 4.653 2.612) 5.581 10.629 ( -3.188 -1.584 0.331) 3.575 10.728 ( 2.509 -4.400 3.628) 6.231 11.144 ( -3.657 7.436 7.169) 10.957 11.302 ( -8.054 -3.146 4.982) 9.980 11.662 ( -2.269 2.915 1.374) 3.942 11.778 ( 9.774 -1.514 3.693) 10.557 12.005 ( -14.738 -2.320 -2.943) 15.207 12.572 ( 15.083 -5.698 -11.216) 19.641 13.064 ( 5.758 5.447 -16.184) 18.020 13.932 ( 0.590 -4.097 22.574) 22.951 14.127 ( -20.133 8.589 1.868) 21.969 14.734 ( 9.532 -0.652 3.951) 10.339 15.715 ( 8.623 -3.174 -22.068) 23.905 ======================= Grid point 673 (338/468) ======================= q-point: (-0.09 -0.73 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -0.734 -0.827 2.382) 2.626 2.601 ( 4.666 -1.534 -2.409) 5.471 3.375 ( -4.639 -5.417 -0.018) 7.132 3.628 ( -2.873 8.092 -2.932) 9.073 4.032 ( -12.916 16.924 -4.852) 21.835 4.361 ( 9.685 -3.498 -1.254) 10.373 4.527 ( 0.965 -8.666 4.587) 9.852 4.891 ( 8.917 -0.827 -3.927) 9.778 5.146 ( -1.479 1.205 5.996) 6.293 5.570 ( 3.888 -0.699 -6.069) 7.242 6.031 ( 2.505 -5.552 3.592) 7.071 6.254 ( 5.561 0.634 -3.520) 6.612 6.501 ( -3.461 0.840 3.948) 5.317 6.693 ( -1.462 3.867 -2.653) 4.912 7.791 ( -4.013 5.964 0.577) 7.212 8.204 ( 0.103 -2.481 -7.689) 8.080 8.650 ( 0.366 -5.100 4.721) 6.959 8.839 ( -6.157 1.090 5.047) 8.035 9.229 ( 12.825 -8.766 -7.415) 17.214 9.357 ( 0.421 1.732 -0.350) 1.817 9.626 ( -4.297 1.364 2.372) 5.094 10.056 ( 1.824 0.726 -1.258) 2.331 10.420 ( -0.706 -2.353 7.208) 7.615 10.589 ( -5.511 0.764 0.280) 5.571 10.785 ( -1.935 -6.902 -3.198) 7.849 11.149 ( 6.415 7.831 6.045) 11.791 11.287 ( -15.685 -1.320 7.886) 17.605 11.610 ( -4.185 4.194 0.379) 5.937 11.795 ( -2.253 0.732 -6.420) 6.843 11.987 ( 2.405 0.364 12.540) 12.774 12.461 ( 1.363 2.769 -20.424) 20.656 13.107 ( 18.547 -1.362 -2.940) 18.828 13.818 ( -22.077 5.146 3.553) 22.946 14.196 ( -0.532 -1.186 14.477) 14.536 14.944 ( 6.426 -11.132 1.067) 12.898 15.600 ( 15.307 5.424 -15.798) 22.656 ======================= Grid point 678 (339/468) ======================= q-point: ( 0.36 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 1.968 -0.000 -1.157) 2.283 2.452 ( 12.078 -0.000 10.577) 16.055 3.256 ( -2.521 0.000 3.575) 4.375 3.272 ( -15.521 0.000 15.443) 21.895 3.633 ( -4.153 0.000 -3.931) 5.719 4.347 ( 16.061 -0.000 2.146) 16.204 4.854 ( -10.894 0.000 -2.244) 11.123 5.030 ( -8.023 0.000 -13.400) 15.618 5.490 ( -7.405 0.000 0.535) 7.424 5.910 ( 6.471 -0.000 7.178) 9.664 6.135 ( 6.526 -0.000 -0.464) 6.542 6.480 ( -9.509 0.000 2.316) 9.787 6.626 ( 1.039 -0.000 -2.891) 3.072 6.698 ( -8.183 0.000 -6.626) 10.529 7.631 ( -5.872 0.000 -0.248) 5.878 7.750 ( 0.906 -0.000 10.555) 10.594 8.576 ( -3.423 0.000 1.612) 3.783 8.691 ( -2.135 0.000 7.089) 7.403 9.134 ( 4.897 -0.000 -2.929) 5.706 9.474 ( -0.118 0.000 7.781) 7.782 9.816 ( 8.503 -0.000 4.540) 9.639 10.032 ( -2.887 0.000 -4.437) 5.294 10.284 ( 5.790 -0.000 4.025) 7.052 10.380 ( -0.720 0.000 -2.776) 2.868 10.655 ( 4.649 -0.000 12.559) 13.392 10.768 ( 3.315 -0.000 -0.324) 3.331 11.143 ( 11.508 -0.000 -8.004) 14.018 11.645 ( -8.543 0.000 -7.208) 11.178 11.737 ( 10.016 -0.000 -4.528) 10.992 12.384 ( -10.047 0.000 -4.250) 10.909 12.726 ( 0.869 -0.000 -8.412) 8.456 13.067 ( -11.398 0.000 -10.501) 15.498 13.790 ( 7.218 -0.000 2.134) 7.527 13.971 ( 10.548 -0.000 -2.511) 10.843 15.137 ( 12.050 -0.000 0.872) 12.082 16.292 ( -18.410 0.000 2.457) 18.574 ======================= Grid point 680 (340/468) ======================= q-point: (-0.55 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 3.528 5.113 2.091) 6.555 2.747 ( 9.884 -0.650 9.408) 13.661 3.166 ( -10.632 3.847 7.551) 13.596 3.318 ( -13.760 -10.759 8.310) 19.343 3.537 ( -2.728 2.462 -2.976) 4.728 4.539 ( 9.561 -1.885 -3.948) 10.515 4.791 ( -3.528 -5.434 5.016) 8.193 4.874 ( 4.365 -1.462 -8.299) 9.490 5.334 ( -9.493 4.512 -2.977) 10.924 6.047 ( 6.519 2.255 1.567) 7.074 6.105 ( -1.985 9.655 -2.655) 10.208 6.415 ( -1.134 -1.848 -2.712) 3.472 6.503 ( -3.581 1.960 -4.228) 5.877 6.611 ( -2.903 -4.667 -3.224) 6.372 7.588 ( -3.228 -4.015 -0.489) 5.175 7.933 ( -1.419 -3.260 14.547) 14.975 8.534 ( -2.857 -0.216 -0.340) 2.885 8.766 ( -1.642 0.146 8.136) 8.301 9.172 ( 5.625 4.976 0.825) 7.555 9.549 ( -2.356 -1.561 6.336) 6.937 9.946 ( -3.159 -0.620 -2.918) 4.345 10.031 ( 8.906 -1.739 6.106) 10.937 10.317 ( 1.055 7.419 -0.799) 7.536 10.397 ( 6.611 2.005 1.106) 6.996 10.761 ( 0.691 2.461 2.699) 3.718 10.877 ( 2.920 -7.998 2.102) 8.770 11.196 ( 9.444 -3.661 -5.215) 11.393 11.444 ( -8.574 0.402 -5.718) 10.313 11.822 ( 12.121 2.814 -2.944) 12.787 12.192 ( -11.760 -0.486 -3.407) 12.253 12.635 ( -1.437 -2.192 -8.343) 8.745 12.889 ( -5.187 -0.963 0.088) 5.277 13.843 ( 3.959 2.924 -3.014) 5.771 14.061 ( 9.263 -0.820 -2.418) 9.608 15.287 ( 13.421 3.759 -1.482) 14.016 16.034 ( -22.916 -2.697 -3.110) 23.283 ======================= Grid point 681 (341/468) ======================= q-point: (-0.45 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 3.623 5.596 2.975) 7.300 2.790 ( -3.646 6.342 -2.644) 7.778 3.253 ( -3.755 -7.681 12.225) 14.918 3.364 ( -11.656 -14.879 10.482) 21.613 3.473 ( 2.756 4.295 0.465) 5.125 4.555 ( -5.978 -4.393 -0.617) 7.444 4.738 ( 3.307 6.489 -6.343) 9.659 5.003 ( 6.754 -7.492 -4.021) 10.859 5.200 ( 4.294 5.817 -1.198) 7.329 5.872 ( -2.280 11.095 -9.552) 14.817 6.122 ( 1.576 3.152 3.066) 4.671 6.389 ( 1.385 -3.252 -6.590) 7.478 6.466 ( 1.313 -0.583 -0.049) 1.437 6.572 ( -4.300 -4.348 -1.571) 6.314 7.612 ( -0.181 -5.576 1.313) 5.731 8.069 ( -6.239 -0.625 10.805) 12.493 8.563 ( 3.696 -3.610 3.548) 6.268 8.824 ( -0.919 3.790 5.490) 6.734 9.206 ( 2.190 5.342 4.283) 7.189 9.603 ( -0.490 -1.836 2.575) 3.200 9.818 ( -6.390 3.249 -10.629) 12.820 10.064 ( -1.934 1.848 -3.128) 4.115 10.337 ( 3.279 5.085 6.592) 8.948 10.511 ( 11.434 4.140 3.295) 12.599 10.802 ( -4.799 0.108 8.723) 9.956 10.936 ( 1.968 -6.409 -4.369) 8.002 11.275 ( -0.064 -4.828 -4.779) 6.793 11.347 ( -1.804 -6.320 3.092) 7.263 11.896 ( 13.315 7.400 -4.137) 15.785 12.043 ( -7.926 -1.321 -1.325) 8.144 12.509 ( -3.979 -5.102 -10.756) 12.552 12.980 ( 2.624 -3.465 12.664) 13.389 13.772 ( 1.065 5.336 -6.929) 8.810 14.168 ( 8.153 -1.505 0.570) 8.310 15.291 ( 1.117 14.033 -4.846) 14.888 15.766 ( -12.264 -10.887 -8.983) 18.698 ======================= Grid point 682 (342/468) ======================= q-point: (-0.36 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.486 ( 3.124 4.107 2.143) 5.587 2.643 ( -5.277 2.436 -3.331) 6.699 3.272 ( -11.266 -5.649 4.046) 13.236 3.551 ( 5.082 -3.640 6.948) 9.346 3.658 ( 3.448 -12.296 14.514) 19.332 4.402 ( -10.681 -2.221 -8.229) 13.665 4.707 ( 6.697 6.746 -1.962) 9.706 5.004 ( 4.313 2.041 -6.904) 8.392 5.258 ( 7.569 4.847 -0.117) 8.989 5.659 ( -0.724 4.505 -9.795) 10.805 6.112 ( -0.861 5.095 -0.349) 5.179 6.333 ( 1.634 -2.034 -8.478) 8.870 6.493 ( -0.371 1.314 2.288) 2.664 6.579 ( -1.495 -8.632 0.687) 8.787 7.705 ( 2.221 -4.380 4.431) 6.615 8.096 ( -2.911 -0.993 4.279) 5.269 8.739 ( 4.478 -1.767 5.462) 7.280 8.819 ( 1.019 5.965 5.045) 7.878 9.225 ( -3.060 4.353 3.174) 6.196 9.499 ( -5.024 5.379 -15.243) 16.927 9.635 ( 1.501 0.292 0.428) 1.588 10.003 ( -4.953 -2.140 -0.986) 5.485 10.424 ( 0.870 -0.315 6.114) 6.184 10.603 ( 5.319 2.449 -0.429) 5.871 10.747 ( -9.582 5.657 1.695) 11.256 11.045 ( -3.323 -5.165 13.118) 14.485 11.300 ( 5.567 -5.269 -4.163) 8.723 11.443 ( -2.300 -6.483 7.986) 10.541 11.906 ( 10.939 10.587 -7.259) 16.865 11.992 ( -7.970 -5.178 3.245) 10.044 12.402 ( 5.811 -6.664 -13.339) 16.003 13.225 ( 4.802 -2.323 6.958) 8.767 13.664 ( 0.193 4.003 1.123) 4.162 14.289 ( 4.340 -1.278 2.781) 5.311 14.975 ( -17.260 12.216 -5.213) 21.779 15.697 ( 8.266 -7.767 -14.843) 18.681 ======================= Grid point 683 (343/468) ======================= q-point: (-0.27 0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 1.707 2.732 -0.247) 3.231 2.551 ( -3.181 -1.504 -1.462) 3.810 3.252 ( -8.830 -6.073 5.277) 11.945 3.727 ( 4.407 -2.811 4.519) 6.909 4.004 ( 7.849 -10.911 12.728) 18.511 4.216 ( -4.837 -1.984 -6.228) 8.132 4.669 ( 2.053 7.991 -4.512) 9.404 4.911 ( 3.070 4.991 -9.652) 11.292 5.258 ( 0.956 8.825 0.752) 8.909 5.572 ( 5.432 -3.517 -7.933) 10.237 6.013 ( -4.015 5.640 -0.950) 6.988 6.276 ( 4.328 -0.305 -7.573) 8.728 6.503 ( -4.227 -0.411 4.185) 5.963 6.654 ( 0.244 -6.825 0.869) 6.885 7.843 ( 4.916 -0.075 6.500) 8.150 8.140 ( 2.028 -4.344 -1.185) 4.939 8.675 ( -4.830 7.599 -1.738) 9.171 8.976 ( 2.331 2.382 8.888) 9.493 9.080 ( 0.798 5.504 -7.951) 9.703 9.349 ( -0.148 -2.328 -5.281) 5.773 9.682 ( -1.294 -0.102 6.114) 6.251 9.941 ( -5.634 -5.184 -2.008) 7.915 10.477 ( -1.557 4.102 3.300) 5.490 10.602 ( -8.008 -0.539 2.594) 8.435 10.659 ( 3.092 -2.947 -1.270) 4.457 11.170 ( -10.757 -5.665 12.779) 17.638 11.301 ( 1.100 4.608 -0.977) 4.837 11.676 ( 7.325 -2.247 14.836) 16.698 11.817 ( 0.320 5.307 -6.302) 8.245 11.944 ( -8.340 -3.192 -0.257) 8.934 12.463 ( 16.192 -7.016 -11.758) 21.205 13.171 ( 6.426 6.638 -15.899) 18.388 13.859 ( 1.314 -4.026 21.623) 22.034 14.257 ( -15.550 5.950 0.930) 16.676 14.704 ( -5.883 -2.540 -1.919) 6.689 15.686 ( 16.188 -0.275 -16.975) 23.458 ======================= Grid point 684 (344/468) ======================= q-point: (-0.18 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.471 ( -2.696 -0.199 -0.067) 2.704 2.556 ( 0.881 -3.422 -1.286) 3.761 3.277 ( -6.674 -5.841 5.324) 10.344 3.749 ( -0.686 5.337 -2.600) 5.976 4.170 ( -5.650 -2.807 0.451) 6.325 4.330 ( 10.988 -6.846 6.031) 14.282 4.499 ( 0.320 13.602 -5.522) 14.684 4.835 ( 3.896 -3.487 -5.479) 7.573 5.196 ( -0.184 3.768 -0.905) 3.879 5.580 ( 4.854 1.008 -4.885) 6.960 5.969 ( 0.452 -1.112 1.764) 2.134 6.266 ( 6.372 0.518 -4.232) 7.667 6.490 ( -6.159 -1.884 2.956) 7.086 6.713 ( 0.461 -1.449 1.665) 2.254 7.925 ( 2.857 8.465 0.773) 8.967 8.157 ( 1.239 -2.895 -3.521) 4.724 8.564 ( -4.992 -2.470 1.216) 5.701 8.932 ( -4.336 8.271 3.403) 9.940 9.113 ( 9.686 -4.758 -7.011) 12.869 9.356 ( 4.672 -1.418 -0.890) 4.963 9.658 ( -11.037 1.730 3.445) 11.690 9.982 ( 0.940 -7.811 3.053) 8.439 10.426 ( -4.357 1.758 2.376) 5.265 10.593 ( -1.970 -0.258 2.536) 3.222 10.694 ( -1.105 -3.939 -2.152) 4.623 11.203 ( -13.961 -7.805 6.851) 17.400 11.291 ( 5.923 8.492 4.220) 11.181 11.652 ( -7.366 0.540 -2.927) 7.944 11.840 ( -1.465 3.989 -6.397) 7.679 12.007 ( 5.509 2.320 19.289) 20.194 12.475 ( 6.517 -1.826 -17.827) 19.068 13.106 ( 18.000 1.973 -8.803) 20.134 13.926 ( -25.218 7.047 1.939) 26.256 14.156 ( -0.280 -3.331 16.971) 17.297 14.732 ( 0.146 -13.375 -4.498) 14.112 15.707 ( 20.770 6.721 -10.953) 24.424 ======================= Grid point 685 (345/468) ======================= q-point: (-0.09 -0.64 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -3.723 -3.436 2.771) 5.774 2.570 ( -0.261 -4.220 -3.377) 5.411 3.290 ( -2.443 -0.995 -0.508) 2.686 3.622 ( -6.397 7.334 0.843) 9.768 3.948 ( -12.636 15.785 -3.511) 20.523 4.441 ( 9.050 0.616 -5.170) 10.441 4.553 ( 1.663 -7.884 5.866) 9.966 4.923 ( 5.510 -4.762 1.557) 7.447 5.183 ( 1.871 -1.883 -1.349) 2.978 5.604 ( 6.074 1.065 1.621) 6.377 6.033 ( 2.442 -5.023 -1.433) 5.766 6.325 ( 6.982 -0.562 0.047) 7.004 6.472 ( -3.667 -2.401 1.558) 4.652 6.712 ( 0.328 5.844 0.080) 5.853 7.813 ( -1.837 7.980 -3.584) 8.939 8.147 ( -2.612 3.672 2.875) 5.345 8.621 ( -0.091 -9.707 1.857) 9.884 8.834 ( -8.278 4.098 2.351) 9.531 9.187 ( 7.103 -3.759 -7.931) 11.291 9.427 ( 7.071 -0.323 0.522) 7.098 9.579 ( -5.052 -2.475 2.771) 6.272 10.042 ( -0.725 -0.506 -1.452) 1.700 10.428 ( -3.941 -3.645 1.543) 5.586 10.565 ( -5.808 1.017 3.668) 6.944 10.683 ( 1.442 -2.724 -4.122) 5.147 11.096 ( -13.058 -2.277 0.139) 13.256 11.379 ( 7.477 6.542 -2.520) 10.249 11.576 ( -7.274 4.628 2.106) 8.875 11.742 ( 2.651 -5.202 1.676) 6.074 12.101 ( -2.803 6.543 -4.501) 8.422 12.460 ( 12.995 3.739 5.726) 14.684 13.255 ( 7.575 -0.871 -0.295) 7.631 13.641 ( -14.428 1.483 1.866) 14.624 14.287 ( -2.623 -2.040 2.629) 4.237 14.781 ( 1.761 -14.274 -8.250) 16.580 15.833 ( 19.450 9.023 1.463) 21.491 ======================= Grid point 691 (346/468) ======================= q-point: ( 0.45 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( 3.489 -0.000 1.458) 3.781 2.850 ( -2.241 0.000 -6.774) 7.135 3.193 ( 0.276 -0.000 14.241) 14.244 3.210 ( -16.277 0.000 11.831) 20.122 3.517 ( 0.449 -0.000 -0.001) 0.449 4.510 ( -8.952 0.000 0.564) 8.970 4.850 ( 8.756 -0.000 -2.100) 9.004 4.873 ( 9.457 -0.000 -6.302) 11.364 5.259 ( 2.990 -0.000 -2.865) 4.142 6.006 ( -3.792 0.000 -11.789) 12.384 6.153 ( 3.190 -0.000 2.897) 4.309 6.314 ( -5.033 0.000 -3.994) 6.426 6.464 ( 2.266 -0.000 -1.862) 2.933 6.540 ( -2.213 0.000 -1.169) 2.503 7.567 ( 0.325 -0.000 2.767) 2.786 8.062 ( -4.815 0.000 11.886) 12.824 8.532 ( 3.281 -0.000 2.495) 4.122 8.844 ( -2.510 0.000 7.860) 8.251 9.297 ( 6.584 -0.000 2.094) 6.909 9.554 ( -3.760 0.000 3.315) 5.013 9.834 ( -6.431 0.000 -6.092) 8.859 10.080 ( -1.334 0.000 -5.169) 5.339 10.451 ( 2.415 -0.000 -1.686) 2.945 10.540 ( 12.452 -0.000 10.156) 16.068 10.724 ( -3.612 0.000 2.742) 4.535 10.910 ( 1.118 -0.000 2.102) 2.381 11.257 ( 7.764 -0.000 -0.015) 7.764 11.263 ( -11.498 0.000 -2.826) 11.840 11.971 ( 15.658 -0.000 -4.040) 16.171 12.031 ( -9.383 0.000 -0.403) 9.392 12.457 ( -4.018 0.000 -12.494) 13.124 12.950 ( 2.632 -0.000 11.903) 12.190 13.824 ( 1.343 -0.000 -7.070) 7.197 14.150 ( 7.608 -0.000 0.626) 7.634 15.454 ( 17.568 -0.000 -6.735) 18.815 15.630 ( -28.554 0.000 -6.670) 29.323 ======================= Grid point 693 (347/468) ======================= q-point: (-0.45 0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.542 ( 1.038 2.029 0.966) 2.476 2.674 ( -5.776 1.008 -7.387) 9.431 3.173 ( -13.106 -3.902 8.354) 16.025 3.449 ( 5.406 -5.147 11.262) 13.511 3.582 ( 6.510 -0.172 6.701) 9.344 4.363 ( -13.766 -1.505 -1.543) 13.934 4.832 ( 6.927 7.760 -4.989) 11.536 4.958 ( 6.969 -6.064 -7.186) 11.703 5.335 ( 13.117 2.618 -2.075) 13.536 5.777 ( -4.457 6.868 -10.548) 13.352 6.181 ( -2.523 2.383 0.527) 3.511 6.244 ( 0.012 -6.343 -4.898) 8.014 6.487 ( 3.069 -1.258 -0.653) 3.381 6.505 ( -2.652 -0.451 0.101) 2.692 7.659 ( 4.522 -1.198 6.012) 7.618 8.089 ( -5.504 -0.048 4.640) 7.199 8.700 ( 8.233 -1.384 9.847) 12.909 8.886 ( -2.768 1.214 4.689) 5.579 9.353 ( 2.500 9.507 3.501) 10.435 9.566 ( -2.792 -5.568 -0.040) 6.229 9.595 ( -7.812 2.197 -14.130) 16.295 9.959 ( -4.371 -2.130 -7.138) 8.637 10.451 ( 1.043 2.859 3.013) 4.282 10.617 ( 1.021 -0.947 -3.029) 3.334 10.857 ( -12.067 6.126 8.604) 16.037 10.957 ( -3.252 -4.397 11.825) 13.028 11.200 ( 8.211 -4.713 3.407) 10.062 11.368 ( 5.255 -2.283 2.494) 6.249 11.936 ( -11.783 -1.492 4.298) 12.631 12.077 ( 14.399 8.599 -7.484) 18.365 12.277 ( 3.215 -7.218 -14.803) 16.780 13.189 ( 6.930 -1.343 11.399) 13.407 13.730 ( -0.348 2.623 -4.100) 4.880 14.260 ( 4.702 -1.424 2.898) 5.704 15.135 ( -28.499 5.565 -7.879) 30.088 15.594 ( 18.008 -3.754 -11.790) 21.849 ======================= Grid point 694 (348/468) ======================= q-point: (-0.36 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -3.469 -0.122 -0.316) 3.485 2.543 ( -2.169 0.492 -3.818) 4.418 3.155 ( -9.895 -4.498 6.504) 12.667 3.648 ( 5.863 -5.252 4.968) 9.308 3.867 ( 11.662 -4.805 12.823) 17.987 4.191 ( -7.765 -1.188 -4.572) 9.089 4.773 ( 1.660 6.069 -3.707) 7.303 4.962 ( 5.288 -0.968 -9.665) 11.060 5.430 ( 6.979 8.487 -0.492) 11.000 5.545 ( 0.247 1.997 -10.760) 10.946 6.093 ( -5.954 1.900 -1.729) 6.484 6.252 ( 3.941 -1.373 -4.261) 5.965 6.485 ( -2.907 -0.880 1.042) 3.211 6.550 ( 2.270 -4.823 1.281) 5.482 7.837 ( 7.592 -0.424 8.627) 11.500 8.086 ( -1.008 -2.039 0.456) 2.319 8.812 ( -3.996 7.409 0.745) 8.451 8.982 ( 7.231 -0.622 9.235) 11.746 9.242 ( -4.736 10.286 -6.905) 13.263 9.323 ( -3.627 0.707 -5.751) 6.836 9.632 ( 0.431 -5.726 2.574) 6.293 9.847 ( -6.119 -5.473 -5.816) 10.061 10.505 ( -0.234 0.423 6.148) 6.167 10.601 ( -5.537 -1.636 1.884) 6.073 10.680 ( -7.974 6.446 -0.602) 10.271 11.030 ( -11.313 -9.675 7.354) 16.604 11.396 ( 8.611 5.920 0.538) 10.464 11.620 ( 12.488 -3.880 18.211) 22.420 11.824 ( -18.481 -3.074 3.161) 19.000 11.992 ( 8.002 6.935 -9.857) 14.467 12.340 ( 15.411 -6.924 -10.571) 19.930 13.269 ( 8.646 4.253 -13.165) 16.314 13.808 ( 0.542 -1.701 18.342) 18.429 14.315 ( -4.895 0.988 1.070) 5.107 14.667 ( -24.521 -1.275 -6.174) 25.318 15.696 ( 22.019 0.991 -13.197) 25.690 ======================= Grid point 695 (349/468) ======================= q-point: (-0.27 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -5.122 -1.532 -1.302) 5.502 2.506 ( -2.617 -2.145 -0.821) 3.482 3.177 ( -7.329 -5.735 7.259) 11.803 3.793 ( 4.664 -0.454 0.997) 4.791 4.087 ( -3.354 -4.003 0.715) 5.271 4.223 ( 11.948 -4.780 6.469) 14.403 4.705 ( 1.661 5.488 -0.968) 5.815 4.843 ( 1.222 5.489 -12.152) 13.390 5.268 ( -2.799 5.333 -7.076) 9.292 5.589 ( 8.374 -0.010 -1.242) 8.465 5.990 ( -2.713 2.600 -1.463) 4.032 6.265 ( 4.120 -0.360 -2.497) 4.831 6.460 ( -4.093 -0.920 0.783) 4.268 6.650 ( 1.908 -5.660 2.802) 6.597 8.028 ( 6.573 2.983 2.822) 7.750 8.110 ( 3.560 -2.502 1.410) 4.574 8.618 ( -9.772 8.765 -2.367) 13.339 9.056 ( 0.137 -1.240 -5.643) 5.780 9.095 ( -0.317 8.941 -0.759) 8.979 9.323 ( 5.271 -2.362 3.803) 6.915 9.663 ( -9.201 -1.262 0.515) 9.301 9.832 ( 1.798 -9.106 3.212) 9.822 10.472 ( -9.681 3.774 1.077) 10.447 10.584 ( -2.969 -0.934 7.198) 7.842 10.639 ( 0.922 -2.039 -1.799) 2.871 11.038 ( -12.789 -10.890 3.680) 17.196 11.444 ( 7.785 9.059 3.822) 12.541 11.636 ( -12.407 -1.667 -3.243) 12.932 11.902 ( 7.089 2.328 -9.702) 12.240 12.064 ( 6.081 4.049 25.626) 26.647 12.400 ( 8.808 -6.083 -15.406) 18.760 13.173 ( 15.984 5.173 -14.314) 22.071 14.041 ( -22.394 5.484 -2.372) 23.178 14.098 ( -3.643 -2.333 20.749) 21.195 14.504 ( -5.497 -12.746 -6.006) 15.125 15.815 ( 24.199 5.591 -8.798) 26.348 ======================= Grid point 696 (350/468) ======================= q-point: (-0.18 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -6.222 -3.544 0.853) 7.211 2.491 ( -4.722 -4.741 0.596) 6.718 3.239 ( -4.951 -4.817 6.906) 9.768 3.764 ( 0.045 8.811 -3.135) 9.352 4.089 ( -6.189 -1.161 0.640) 6.330 4.402 ( 4.167 -7.003 -0.524) 8.166 4.550 ( -1.145 13.310 -5.805) 14.566 4.856 ( 8.598 -5.476 2.144) 10.417 5.174 ( 3.529 1.701 -5.113) 6.441 5.656 ( 4.428 3.679 2.812) 6.407 5.960 ( 1.432 -2.724 -2.981) 4.285 6.301 ( 3.042 -2.067 -0.682) 3.740 6.438 ( -1.782 -1.001 1.241) 2.391 6.746 ( 1.673 -2.212 2.818) 3.954 7.945 ( 0.193 6.324 -9.681) 11.566 8.250 ( 3.314 7.750 9.255) 12.518 8.485 ( -5.623 -4.460 2.294) 7.534 8.891 ( -8.773 1.075 -5.115) 10.212 9.139 ( 9.218 -0.287 -2.280) 9.500 9.442 ( 4.573 1.517 1.315) 4.994 9.552 ( -6.274 -0.568 2.315) 6.711 9.994 ( 0.591 -5.273 4.887) 7.214 10.367 ( -5.274 -1.666 -0.167) 5.533 10.589 ( -5.869 0.616 1.229) 6.028 10.650 ( -1.639 -1.538 0.827) 2.395 10.993 ( -9.452 -9.027 -0.505) 13.080 11.483 ( 0.617 2.627 -7.741) 8.198 11.591 ( 4.320 2.446 14.385) 15.217 11.762 ( -2.227 5.109 -10.945) 12.282 12.210 ( -0.597 4.865 -7.427) 8.898 12.488 ( 12.649 0.175 11.912) 17.376 13.241 ( 14.286 -0.093 -5.990) 15.491 13.692 ( -21.758 3.707 1.786) 22.143 14.226 ( -3.252 -4.908 -2.952) 6.586 14.543 ( -1.439 -12.861 2.961) 13.275 15.987 ( 22.510 8.535 -1.151) 24.101 ======================= Grid point 697 (351/468) ======================= q-point: (-0.09 -0.55 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -7.824 -6.697 3.785) 10.972 2.449 ( -8.588 -3.638 -1.679) 9.477 3.276 ( -0.063 1.113 -0.188) 1.131 3.630 ( -4.310 8.748 1.041) 9.807 3.909 ( -12.516 11.667 2.081) 17.237 4.466 ( 7.435 -3.858 -3.372) 9.030 4.546 ( -1.158 -7.497 4.677) 8.912 5.026 ( 6.293 -1.488 3.701) 7.451 5.147 ( 3.371 -0.093 -5.001) 6.032 5.742 ( 3.154 2.523 6.737) 7.855 5.960 ( 0.025 -5.938 -5.550) 8.128 6.365 ( 3.672 -5.095 -0.179) 6.282 6.470 ( 3.396 -0.028 0.645) 3.457 6.785 ( 2.831 4.482 0.779) 5.358 7.786 ( -2.899 4.978 -3.179) 6.579 8.257 ( -3.828 10.075 7.551) 13.160 8.559 ( -2.259 -7.887 2.459) 8.565 8.742 ( -4.765 -0.603 -3.030) 5.679 9.153 ( 0.647 2.007 -5.163) 5.577 9.517 ( 6.727 -2.980 3.784) 8.274 9.596 ( 2.075 1.060 3.401) 4.123 10.000 ( -3.185 0.922 -1.086) 3.490 10.347 ( -2.348 -3.195 -3.160) 5.070 10.517 ( -2.294 0.599 -4.433) 5.027 10.580 ( -10.740 -2.594 1.407) 11.138 11.018 ( 2.148 -7.258 1.015) 7.637 11.305 ( -3.725 8.224 -13.557) 16.288 11.542 ( -3.166 4.179 -4.644) 7.004 11.889 ( 8.795 -3.955 8.260) 12.697 12.093 ( 5.704 5.071 -0.855) 7.680 12.772 ( 7.380 3.000 12.808) 15.083 13.243 ( -10.134 1.497 2.575) 10.563 13.557 ( 0.842 -2.528 -2.773) 3.845 14.114 ( -1.733 -8.455 -15.162) 17.446 14.687 ( 0.155 -7.616 5.106) 9.170 16.186 ( 16.850 9.192 5.055) 19.849 ======================= Grid point 704 (352/468) ======================= q-point: (-0.45 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( -4.164 0.000 0.091) 4.165 2.538 ( -4.103 0.000 -4.557) 6.132 3.116 ( -8.901 0.000 6.323) 10.918 3.594 ( 7.143 -0.000 4.670) 8.534 3.829 ( 12.463 -0.000 12.417) 17.593 4.180 ( -9.898 0.000 -2.478) 10.204 4.867 ( 2.595 -0.000 -7.858) 8.275 4.908 ( 4.945 -0.000 -5.091) 7.097 5.479 ( 13.210 -0.000 -3.701) 13.719 5.611 ( -5.167 0.000 -11.402) 12.518 6.080 ( -6.333 0.000 -0.953) 6.404 6.255 ( 3.738 -0.000 -0.648) 3.794 6.483 ( -2.117 0.000 1.318) 2.494 6.500 ( 2.916 -0.000 -2.015) 3.544 7.833 ( 7.967 -0.000 9.277) 12.229 8.069 ( -2.312 0.000 0.818) 2.452 8.893 ( -3.607 0.000 2.301) 4.278 8.961 ( 9.478 -0.000 12.599) 15.766 9.306 ( -10.332 0.000 -13.207) 16.768 9.419 ( -5.788 0.000 -6.191) 8.475 9.527 ( 3.879 -0.000 5.823) 6.997 9.789 ( -4.414 0.000 -7.738) 8.908 10.516 ( 0.121 -0.000 4.775) 4.776 10.576 ( -5.609 0.000 2.063) 5.977 10.790 ( -16.672 0.000 6.418) 17.865 10.894 ( -5.206 0.000 -0.377) 5.219 11.470 ( 7.616 -0.000 2.237) 7.938 11.566 ( 19.314 -0.000 16.983) 25.719 11.793 ( -21.376 0.000 6.899) 22.462 12.073 ( 7.115 -0.000 -14.428) 16.087 12.263 ( 15.853 -0.000 -7.497) 17.537 13.306 ( 10.010 -0.000 -10.976) 14.855 13.796 ( -0.151 0.000 15.778) 15.779 14.316 ( 0.190 -0.000 1.138) 1.154 14.659 ( -32.438 0.000 -7.326) 33.255 15.706 ( 24.002 -0.000 -11.943) 26.809 ======================= Grid point 705 (353/468) ======================= q-point: (-0.36 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -6.168 0.480 -0.726) 6.229 2.471 ( -6.027 -2.116 -0.611) 6.417 3.101 ( -6.957 -2.555 5.701) 9.351 3.757 ( 8.297 -2.079 3.833) 9.373 4.064 ( -2.686 0.297 -1.933) 3.323 4.165 ( 12.917 -1.983 10.897) 17.016 4.746 ( -2.017 1.080 -8.314) 8.623 4.912 ( 3.946 1.299 -4.833) 6.373 5.377 ( -3.199 5.590 -11.920) 13.549 5.579 ( 9.133 -1.045 -2.786) 9.606 6.017 ( -4.545 0.185 0.893) 4.636 6.282 ( 3.171 2.239 -0.474) 3.911 6.465 ( -0.901 1.455 -0.623) 1.822 6.539 ( 1.265 -6.290 0.429) 6.431 8.051 ( 3.182 0.538 0.800) 3.325 8.075 ( 6.877 -1.418 7.381) 10.187 8.799 ( -7.799 9.461 -2.522) 12.518 9.017 ( -5.221 -3.123 -8.643) 10.570 9.234 ( -4.770 5.359 -4.100) 8.263 9.283 ( 6.754 -1.715 11.480) 13.430 9.640 ( -2.922 -0.160 -1.263) 3.187 9.693 ( 1.577 -6.350 1.725) 6.767 10.511 ( -13.517 -0.209 5.902) 14.751 10.580 ( -0.703 0.497 6.214) 6.273 10.662 ( -3.464 5.599 -1.036) 6.665 10.850 ( -9.035 -10.189 -0.800) 13.641 11.575 ( 0.731 5.176 5.693) 7.729 11.613 ( -9.128 -0.817 0.133) 9.166 11.910 ( 18.526 -0.767 -11.594) 21.868 12.129 ( 3.607 2.873 23.489) 23.937 12.304 ( 7.598 -3.972 -13.484) 15.979 13.250 ( 15.686 2.815 -17.399) 23.595 14.041 ( 0.128 -1.362 13.518) 13.587 14.161 ( -26.822 5.856 3.412) 27.665 14.315 ( -8.686 -8.805 -4.971) 13.330 15.884 ( 25.871 2.165 -8.001) 27.166 ======================= Grid point 706 (354/468) ======================= q-point: (-0.27 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( -8.739 -1.342 1.496) 8.967 2.416 ( -7.819 -3.818 1.898) 8.906 3.137 ( -6.573 -6.082 7.738) 11.835 3.889 ( 7.328 4.153 -0.160) 8.424 4.031 ( -0.822 -2.096 -1.224) 2.562 4.350 ( 0.130 1.790 1.892) 2.607 4.704 ( 3.198 -11.358 -2.804) 12.129 4.802 ( -0.728 12.564 -7.460) 14.630 5.243 ( 8.697 5.558 -4.033) 11.082 5.665 ( 5.516 -3.152 -0.633) 6.385 5.970 ( -2.401 3.077 0.106) 3.905 6.284 ( -0.042 1.565 0.476) 1.636 6.438 ( 0.942 0.828 -0.732) 1.452 6.643 ( 1.530 -9.133 2.332) 9.549 8.016 ( 2.109 2.287 -7.268) 7.906 8.311 ( 7.447 -0.788 9.961) 12.462 8.549 ( -9.831 10.320 -1.292) 14.312 8.863 ( -8.741 -3.651 -8.213) 12.538 9.178 ( 3.447 3.466 2.124) 5.330 9.476 ( 3.661 2.412 1.915) 4.784 9.549 ( -1.438 -0.291 1.672) 2.225 9.875 ( 3.000 -7.334 8.331) 11.497 10.389 ( -10.673 3.239 2.058) 11.342 10.577 ( -2.553 -0.690 -2.721) 3.794 10.634 ( -5.976 -0.477 4.653) 7.589 10.817 ( -5.423 -10.773 -2.193) 12.259 11.468 ( -9.029 -1.545 0.981) 9.213 11.700 ( 8.777 6.499 6.071) 12.495 11.861 ( 3.873 6.562 -12.713) 14.822 12.214 ( 4.724 -4.620 -15.199) 16.573 12.506 ( 8.252 2.306 22.526) 24.101 13.256 ( 16.792 1.470 -12.685) 21.096 13.748 ( -24.177 2.465 0.012) 24.302 14.132 ( -5.056 -5.408 -11.257) 13.473 14.370 ( -3.745 -6.843 16.567) 18.312 16.108 ( 24.666 5.229 -2.122) 25.303 ======================= Grid point 707 (355/468) ======================= q-point: (-0.18 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -10.057 -4.008 3.464) 11.367 2.376 ( -12.207 -4.657 4.126) 13.701 3.222 ( -6.017 -7.090 8.576) 12.650 3.810 ( 1.782 11.669 -7.256) 13.856 4.000 ( -7.432 1.039 0.413) 7.516 4.368 ( 2.531 -6.158 0.132) 6.659 4.600 ( -0.451 11.731 -1.654) 11.856 4.842 ( 3.610 -14.103 -2.106) 14.709 5.312 ( 11.867 11.740 -0.065) 16.693 5.761 ( 2.813 -4.085 2.242) 5.443 5.899 ( -3.641 2.513 -1.150) 4.571 6.292 ( 1.275 -2.585 -0.022) 2.883 6.473 ( 4.685 0.368 1.356) 4.891 6.768 ( 2.117 -6.576 2.421) 7.320 7.887 ( -0.112 6.627 -7.369) 9.911 8.374 ( -9.928 -0.840 1.935) 10.149 8.507 ( 2.690 5.406 7.785) 9.852 8.708 ( -2.899 -2.584 -4.828) 6.196 9.198 ( 1.456 3.014 -3.936) 5.167 9.478 ( 2.877 -1.496 4.433) 5.493 9.645 ( 4.261 4.070 5.450) 8.026 10.014 ( -1.969 -0.262 3.882) 4.360 10.287 ( -2.997 -1.822 -2.011) 4.043 10.511 ( -5.683 -2.856 -3.730) 7.373 10.539 ( -8.582 -1.640 -1.262) 8.828 10.878 ( 0.876 -7.973 0.873) 8.069 11.413 ( -0.719 2.024 -3.672) 4.255 11.577 ( -7.881 2.673 -11.142) 13.907 11.894 ( 11.829 4.305 6.233) 14.046 12.170 ( 7.624 2.510 -5.345) 9.643 12.812 ( 5.738 2.194 14.111) 15.391 13.240 ( -4.731 -1.682 -3.604) 6.181 13.549 ( -4.317 1.254 -1.042) 4.615 13.950 ( -2.541 -9.816 -17.120) 19.897 14.571 ( -3.652 -5.651 13.339) 14.940 16.339 ( 20.334 8.047 2.412) 22.001 ======================= Grid point 708 (356/468) ======================= q-point: (-0.09 -0.45 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.224 ( -19.629 -3.082 0.324) 19.873 2.279 ( -9.817 -6.896 4.029) 12.655 3.284 ( -0.149 0.276 0.424) 0.528 3.685 ( -1.486 4.370 0.570) 4.651 3.871 ( -10.935 6.069 7.511) 14.588 4.486 ( 4.573 -5.443 -0.302) 7.115 4.592 ( 3.065 1.180 7.116) 7.837 4.994 ( 4.814 -16.035 -2.184) 16.884 5.270 ( 3.211 18.056 -0.015) 18.340 5.797 ( -4.298 -7.819 -5.425) 10.442 5.852 ( -3.963 2.786 6.258) 7.914 6.354 ( 3.441 -5.356 -1.314) 6.500 6.564 ( 8.095 3.036 0.968) 8.699 6.859 ( 4.530 -0.992 0.258) 4.645 7.769 ( -3.530 4.314 0.645) 5.611 8.314 ( -6.041 -1.065 3.050) 6.851 8.443 ( -7.530 1.330 -2.278) 7.978 8.772 ( 7.321 1.362 2.422) 7.830 9.102 ( -1.489 2.193 -4.826) 5.506 9.652 ( 4.047 2.915 4.052) 6.426 9.685 ( 2.398 0.517 6.279) 6.741 9.979 ( -3.274 2.541 3.102) 5.177 10.204 ( -1.085 -1.836 -13.431) 13.600 10.411 ( -5.991 0.060 1.184) 6.107 10.521 ( 2.531 -4.310 -1.637) 5.259 10.882 ( -5.977 -4.759 -9.083) 11.869 11.246 ( -1.921 5.673 -1.237) 6.116 11.518 ( 5.476 -0.843 -3.223) 6.410 11.955 ( 4.320 4.528 -7.031) 9.413 12.332 ( 12.132 -1.198 11.864) 17.011 12.893 ( -8.299 1.271 2.514) 8.764 13.193 ( -2.242 -2.383 3.138) 4.533 13.485 ( -0.576 -2.065 -5.487) 5.891 13.865 ( 3.053 -8.472 -10.535) 13.860 14.705 ( -3.329 -5.386 7.985) 10.191 16.519 ( 13.452 10.029 4.262) 17.312 ======================= Grid point 716 (357/468) ======================= q-point: (-0.36 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -11.195 0.000 4.089) 11.919 2.369 ( -7.650 0.000 0.452) 7.664 3.077 ( -7.174 0.000 6.716) 9.827 3.908 ( 8.939 -0.000 3.592) 9.634 4.027 ( 2.071 -0.000 -3.415) 3.993 4.431 ( 7.721 -0.000 8.189) 11.255 4.541 ( -8.593 0.000 -10.599) 13.644 4.916 ( 1.380 -0.000 -6.051) 6.206 5.311 ( 10.990 -0.000 -5.591) 12.330 5.614 ( 4.240 -0.000 -3.137) 5.275 6.001 ( -4.135 0.000 3.790) 5.609 6.337 ( 2.813 -0.000 0.601) 2.876 6.482 ( -0.797 0.000 1.457) 1.660 6.490 ( 0.971 -0.000 -1.885) 2.120 8.034 ( 3.160 -0.000 -5.192) 6.078 8.298 ( 5.380 -0.000 9.709) 11.100 8.680 ( -8.989 0.000 -7.022) 11.406 8.804 ( -8.182 0.000 -4.438) 9.308 9.215 ( 0.256 -0.000 2.902) 2.913 9.522 ( -2.550 0.000 -6.811) 7.273 9.524 ( 7.416 -0.000 10.672) 12.995 9.801 ( 4.117 -0.000 8.752) 9.672 10.423 ( -13.577 0.000 6.827) 15.197 10.611 ( -9.290 0.000 -1.750) 9.453 10.625 ( -4.627 0.000 -3.746) 5.954 10.677 ( 1.712 -0.000 1.094) 2.031 11.455 ( -10.178 0.000 2.084) 10.389 11.757 ( 3.361 -0.000 4.725) 5.798 11.952 ( 14.456 -0.000 -10.591) 17.921 12.133 ( 3.802 -0.000 -17.929) 18.327 12.534 ( 6.070 -0.000 24.878) 25.608 13.272 ( 17.933 -0.000 -16.592) 24.431 13.769 ( -24.749 0.000 -1.259) 24.781 14.078 ( -6.662 0.000 -13.350) 14.920 14.312 ( -4.312 0.000 21.735) 22.159 16.154 ( 25.460 -0.000 -2.358) 25.569 ======================= Grid point 717 (358/468) ======================= q-point: (-0.27 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -12.010 0.316 4.018) 12.668 2.304 ( -13.499 -3.404 6.863) 15.521 3.096 ( -9.946 -5.209 9.962) 15.010 3.974 ( 4.065 5.259 -11.109) 12.945 4.031 ( 3.898 2.400 1.941) 4.972 4.314 ( -6.489 1.149 0.078) 6.590 4.587 ( 2.239 -11.553 -4.144) 12.476 4.811 ( 1.384 7.558 -2.867) 8.201 5.475 ( 16.361 6.973 1.474) 17.846 5.639 ( 1.945 -7.251 -2.467) 7.902 5.979 ( -5.561 3.027 3.611) 7.289 6.327 ( -0.136 7.166 1.167) 7.262 6.481 ( 4.902 0.758 1.126) 5.086 6.589 ( 0.850 -12.497 1.959) 12.679 7.988 ( 3.286 4.090 -6.791) 8.582 8.316 ( -12.031 -3.050 -1.606) 12.515 8.617 ( 5.642 3.840 4.474) 8.161 8.679 ( -5.817 -0.392 -1.673) 6.065 9.240 ( 0.827 1.510 -3.426) 3.834 9.466 ( 0.448 -0.008 3.792) 3.818 9.709 ( 5.903 2.492 6.962) 9.462 9.981 ( 4.118 -2.289 8.147) 9.412 10.316 ( -9.623 4.083 1.439) 10.552 10.441 ( -8.488 -4.262 -5.538) 10.995 10.507 ( -4.859 -1.905 -5.888) 7.868 10.774 ( 2.387 -3.481 4.041) 5.844 11.401 ( -2.839 -1.213 1.152) 3.295 11.638 ( -10.619 2.498 -12.471) 16.569 11.996 ( 13.510 6.149 -1.858) 14.959 12.157 ( 12.167 -3.274 -2.158) 12.783 12.857 ( 4.150 2.415 16.748) 17.423 13.198 ( -2.680 -2.326 -12.393) 12.891 13.582 ( -4.200 1.883 1.315) 4.787 13.814 ( -6.430 -5.100 -16.725) 18.630 14.504 ( -5.112 -2.038 16.499) 17.393 16.439 ( 22.381 3.186 1.452) 22.653 ======================= Grid point 718 (359/468) ======================= q-point: (-0.18 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -16.539 -2.708 5.632) 17.680 2.203 ( -17.802 -2.639 3.947) 18.424 3.168 ( -11.873 -10.416 12.918) 20.405 3.786 ( 1.867 8.178 -11.327) 14.094 4.002 ( -1.287 7.160 1.186) 7.371 4.372 ( 2.408 -6.596 4.429) 8.302 4.647 ( 3.708 -4.353 -0.099) 5.719 4.809 ( 5.726 1.373 -0.015) 5.888 5.534 ( 3.947 7.781 -0.107) 8.725 5.680 ( -1.102 -2.483 -3.807) 4.677 5.908 ( -7.742 3.686 4.860) 9.856 6.308 ( 1.879 1.331 0.193) 2.311 6.607 ( 9.845 1.818 3.907) 10.747 6.740 ( 1.945 -12.199 1.962) 12.508 7.875 ( -0.603 7.866 -4.083) 8.883 8.207 ( -8.425 -8.159 -1.715) 11.853 8.541 ( -5.845 6.418 0.959) 8.733 8.780 ( 8.176 -0.286 2.438) 8.537 9.137 ( -1.384 1.517 -7.552) 7.826 9.608 ( 3.250 -2.876 10.285) 11.163 9.792 ( 2.579 6.622 3.164) 7.779 10.063 ( -2.092 5.990 5.174) 8.187 10.180 ( -0.203 -0.260 -12.148) 12.152 10.358 ( -6.299 -5.462 3.870) 9.191 10.444 ( 1.041 -4.469 -5.155) 6.901 10.831 ( -1.925 -1.401 -2.688) 3.591 11.338 ( -7.637 4.363 -4.697) 9.971 11.438 ( 3.275 -6.146 -2.437) 7.378 12.061 ( 8.666 6.535 -5.497) 12.167 12.340 ( 11.811 1.151 6.820) 13.687 12.908 ( -9.152 0.948 -1.645) 9.347 13.119 ( -2.214 -5.632 1.793) 6.311 13.487 ( -3.084 2.059 -5.921) 6.987 13.721 ( 4.120 -7.788 -5.641) 10.462 14.627 ( -6.185 -3.369 10.914) 12.989 16.671 ( 16.969 6.957 2.350) 18.490 ======================= Grid point 719 (360/468) ======================= q-point: (-0.09 -0.36 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -25.545 -2.352 -2.622) 25.787 2.155 ( -13.179 -7.863 8.863) 17.722 3.277 ( -5.275 -6.438 7.027) 10.893 3.623 ( -4.118 2.588 -3.539) 6.014 4.014 ( 3.046 6.757 8.662) 11.400 4.504 ( 1.939 -2.200 3.867) 4.853 4.769 ( 3.041 2.617 9.740) 10.534 4.913 ( 8.812 -11.729 -3.395) 15.058 5.453 ( -0.538 17.158 1.173) 17.207 5.588 ( -8.195 -6.859 -4.177) 11.474 5.864 ( -6.981 0.035 5.138) 8.668 6.337 ( 2.594 -2.720 -1.358) 3.997 6.709 ( 5.524 4.220 0.235) 6.955 6.869 ( 2.100 -4.878 -0.740) 5.362 7.786 ( -3.106 4.110 3.018) 5.971 8.181 ( -4.597 -8.360 -1.341) 9.634 8.460 ( 1.283 8.672 1.710) 8.932 8.864 ( 4.114 -0.591 -2.704) 4.959 9.037 ( -2.012 0.006 -2.588) 3.278 9.738 ( -0.362 10.718 -1.558) 10.837 9.810 ( 2.303 -6.671 7.879) 10.578 9.994 ( -0.368 1.234 -10.344) 10.424 10.075 ( 1.116 5.128 4.002) 6.600 10.400 ( -0.305 -1.123 0.636) 1.326 10.450 ( 1.982 -5.868 -6.039) 8.651 10.716 ( -3.802 1.385 -1.539) 4.329 11.258 ( -0.628 0.712 -0.414) 1.035 11.533 ( 6.361 -7.536 -3.315) 10.404 11.947 ( 3.445 10.458 -10.815) 15.434 12.579 ( 5.950 -1.783 9.548) 11.390 12.737 ( -8.165 -2.027 -6.237) 10.473 13.173 ( 2.564 -4.207 1.571) 5.171 13.429 ( -3.222 -1.591 1.695) 3.974 13.782 ( 4.794 -4.730 -3.780) 7.723 14.688 ( -6.488 -5.600 6.053) 10.492 16.784 ( 9.423 10.332 0.670) 13.999 ======================= Grid point 728 (361/468) ======================= q-point: (-0.27 -0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( -15.971 0.000 6.137) 17.109 2.180 ( -19.753 0.000 5.463) 20.494 3.060 ( -15.438 0.000 14.553) 21.217 3.887 ( 3.421 -0.000 -11.219) 11.729 4.057 ( 1.836 -0.000 -7.305) 7.532 4.320 ( -1.647 0.000 10.410) 10.540 4.545 ( 8.710 -0.000 -3.542) 9.402 4.882 ( 4.517 -0.000 1.677) 4.819 5.528 ( -5.548 0.000 -2.453) 6.066 5.717 ( 10.185 -0.000 -0.573) 10.201 5.946 ( -8.922 0.000 3.373) 9.539 6.393 ( -1.121 0.000 1.889) 2.196 6.549 ( 1.977 -0.000 2.202) 2.959 6.623 ( 10.369 -0.000 4.844) 11.445 7.986 ( 3.200 -0.000 -4.408) 5.447 8.096 ( -11.204 0.000 -3.651) 11.783 8.605 ( -5.749 0.000 2.033) 6.097 8.774 ( 7.524 -0.000 1.921) 7.765 9.149 ( -1.182 0.000 -9.295) 9.370 9.583 ( 0.930 -0.000 10.639) 10.680 9.856 ( 4.252 -0.000 3.378) 5.431 10.119 ( 5.017 -0.000 1.034) 5.122 10.222 ( -2.831 0.000 -7.415) 7.937 10.263 ( -7.862 0.000 3.118) 8.458 10.401 ( -1.484 0.000 -2.444) 2.859 10.820 ( 0.567 -0.000 -0.782) 0.966 11.376 ( 0.361 -0.000 -2.766) 2.789 11.378 ( -9.207 0.000 -5.385) 10.666 12.127 ( 11.420 -0.000 -5.183) 12.541 12.351 ( 12.031 -0.000 6.066) 13.473 12.927 ( -12.780 0.000 -9.136) 15.710 13.050 ( 1.074 -0.000 5.994) 6.089 13.524 ( -6.620 0.000 -8.648) 10.891 13.636 ( 6.134 -0.000 -0.761) 6.181 14.598 ( -6.894 0.000 11.645) 13.533 16.734 ( 18.361 -0.000 1.777) 18.446 ======================= Grid point 729 (362/468) ======================= q-point: (-0.18 -0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -28.200 0.512 -2.697) 28.334 2.051 ( -16.919 -3.843 9.937) 19.994 3.104 ( -15.386 -7.536 17.794) 24.701 3.785 ( 4.980 11.730 -8.383) 15.254 4.006 ( 4.504 -7.320 -6.000) 10.482 4.502 ( 3.685 3.500 15.618) 16.424 4.695 ( 9.436 -8.289 3.581) 13.061 4.931 ( 5.527 7.244 -0.390) 9.120 5.431 ( -9.062 -6.463 -2.342) 11.374 5.722 ( 0.298 8.683 -2.214) 8.966 5.859 ( -9.997 -0.490 3.455) 10.589 6.361 ( -0.363 5.466 1.285) 5.626 6.649 ( 0.173 -10.280 0.154) 10.282 6.821 ( 8.643 0.856 4.885) 9.965 7.894 ( -2.662 7.943 -0.707) 8.407 8.039 ( -3.292 -8.426 -1.084) 9.111 8.586 ( 2.460 4.833 2.421) 5.939 8.841 ( 3.100 -1.207 -3.893) 5.121 9.028 ( -2.480 -0.891 -4.388) 5.118 9.729 ( 0.949 -2.366 8.860) 9.220 9.869 ( 0.043 3.808 -3.250) 5.007 9.990 ( 1.860 -0.621 -17.386) 17.496 10.201 ( -0.593 7.853 7.040) 10.564 10.341 ( 1.942 -6.814 4.347) 8.313 10.397 ( 2.633 1.023 -0.245) 2.836 10.732 ( -4.310 0.216 -4.515) 6.246 11.278 ( -2.031 1.233 -7.732) 8.089 11.391 ( 1.544 -6.175 4.182) 7.616 12.116 ( 7.617 6.803 -11.308) 15.237 12.563 ( 5.628 -0.310 8.748) 10.407 12.686 ( -9.072 -2.850 -7.547) 12.141 13.119 ( 3.051 -1.755 4.090) 5.396 13.420 ( -5.476 0.125 1.787) 5.761 13.709 ( 5.758 -2.888 -2.140) 6.788 14.621 ( -8.508 -2.066 6.196) 10.725 16.916 ( 12.300 4.357 -1.055) 13.091 ======================= Grid point 730 (363/468) ======================= q-point: (-0.09 -0.27 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -25.066 -5.081 1.320) 25.610 2.049 ( -14.252 -7.680 13.235) 20.911 3.207 ( -12.614 -10.707 12.403) 20.678 3.632 ( 5.127 12.844 -6.663) 15.351 4.122 ( 5.543 -8.811 -0.253) 10.412 4.654 ( 3.076 6.869 8.350) 11.241 4.857 ( -0.966 11.226 -3.431) 11.778 5.015 ( 7.287 -9.603 14.436) 18.807 5.370 ( -6.723 -8.637 -0.415) 10.953 5.591 ( -1.267 12.920 0.225) 12.984 5.822 ( -5.330 -3.348 3.152) 7.039 6.348 ( 1.259 0.936 0.305) 1.598 6.683 ( -2.694 -6.146 -3.996) 7.810 6.870 ( -2.588 4.698 -0.209) 5.368 7.839 ( -0.987 3.881 4.218) 5.816 8.074 ( -1.656 -7.434 0.927) 7.672 8.610 ( 4.313 9.433 -0.042) 10.372 8.823 ( 3.302 -3.013 -2.178) 4.972 9.016 ( 1.236 -0.879 0.325) 1.551 9.673 ( 0.599 2.875 -19.610) 19.829 9.822 ( -2.791 0.058 0.611) 2.857 9.925 ( 2.119 -7.329 1.622) 7.799 10.227 ( -1.777 7.365 8.860) 11.658 10.357 ( 4.073 5.767 -5.321) 8.841 10.491 ( 2.168 -0.166 6.809) 7.148 10.715 ( 3.353 -3.259 0.435) 4.696 11.090 ( -3.815 -9.555 -18.740) 21.378 11.547 ( 3.351 -2.107 6.984) 8.027 11.992 ( 7.781 11.535 -8.472) 16.290 12.510 ( -12.584 -3.657 0.821) 13.131 12.754 ( 8.752 -0.383 2.239) 9.042 13.222 ( -4.680 -0.715 3.106) 5.662 13.429 ( 3.605 -1.566 6.160) 7.307 13.773 ( 5.018 -3.412 -2.371) 6.515 14.588 ( -9.323 -6.365 1.510) 11.389 16.928 ( 4.677 8.532 -5.177) 11.022 ======================= Grid point 740 (364/468) ======================= q-point: (-0.18 -0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -28.644 0.000 0.057) 28.644 1.977 ( -15.948 0.000 14.440) 21.514 3.100 ( -14.593 0.000 15.907) 21.586 3.867 ( 6.473 -0.000 -10.832) 12.619 3.912 ( 6.899 -0.000 -1.256) 7.012 4.765 ( 10.045 -0.000 -3.565) 10.659 4.884 ( 1.239 -0.000 25.568) 25.598 5.020 ( 2.782 -0.000 -0.601) 2.846 5.250 ( -7.128 0.000 1.032) 7.202 5.740 ( 2.693 -0.000 -3.890) 4.732 5.756 ( -11.061 0.000 4.210) 11.835 6.385 ( -3.173 0.000 1.794) 3.645 6.591 ( -1.425 0.000 -1.376) 1.981 6.914 ( -1.242 0.000 0.742) 1.447 7.918 ( 0.410 -0.000 0.266) 0.489 7.966 ( -3.558 0.000 3.416) 4.933 8.744 ( -4.764 0.000 -5.785) 7.494 8.752 ( 14.276 -0.000 3.180) 14.626 9.002 ( 1.960 -0.000 0.609) 2.052 9.699 ( -0.859 0.000 -23.893) 23.909 9.832 ( 1.621 -0.000 6.743) 6.935 9.835 ( -3.305 0.000 -3.408) 4.747 10.307 ( -1.578 0.000 5.944) 6.150 10.431 ( 4.948 -0.000 5.528) 7.419 10.511 ( 9.985 -0.000 2.483) 10.289 10.653 ( -2.461 0.000 -0.320) 2.482 10.988 ( -8.345 0.000 -22.700) 24.185 11.534 ( 4.007 -0.000 10.852) 11.568 12.108 ( 10.339 -0.000 -11.504) 15.467 12.464 ( -14.145 0.000 2.315) 14.333 12.751 ( 8.805 -0.000 3.684) 9.545 13.218 ( -5.122 0.000 4.504) 6.820 13.416 ( 3.470 -0.000 6.848) 7.677 13.738 ( 5.426 -0.000 -2.260) 5.878 14.532 ( -10.793 0.000 0.447) 10.803 17.005 ( 6.097 -0.000 -6.499) 8.911 ======================= Grid point 741 (365/468) ======================= q-point: (-0.09 -0.18 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -11.727 -5.477 15.293) 20.035 2.020 ( -11.249 -4.590 16.391) 20.402 3.113 ( -13.706 -5.297 10.048) 17.801 3.766 ( 8.485 13.535 -5.250) 16.815 4.062 ( 4.949 -13.568 -2.085) 14.592 4.720 ( -0.251 9.385 -8.697) 12.798 4.922 ( -8.518 1.193 3.463) 9.272 5.036 ( -6.076 -3.260 2.853) 7.462 5.502 ( 10.574 1.269 19.350) 22.088 5.672 ( 0.113 5.697 2.816) 6.356 5.762 ( 0.174 -4.366 -1.857) 4.748 6.369 ( -1.241 -0.973 1.784) 2.381 6.524 ( -5.353 -2.778 -5.968) 8.484 6.817 ( -8.099 3.125 -2.948) 9.167 7.932 ( 1.302 3.724 4.976) 6.350 8.027 ( 0.176 -6.953 3.127) 7.626 8.618 ( -5.145 3.426 -0.630) 6.213 8.982 ( 13.637 5.342 2.221) 14.813 9.052 ( 4.968 -0.296 0.057) 4.977 9.400 ( -3.491 -4.895 -16.704) 17.753 9.772 ( 0.697 0.462 -4.095) 4.180 9.955 ( 3.794 -4.353 4.448) 7.289 10.275 ( -8.226 1.120 -7.682) 11.310 10.429 ( 0.884 14.427 0.326) 14.458 10.618 ( -0.945 1.270 6.757) 6.940 10.711 ( -2.415 -15.448 -8.824) 17.953 10.771 ( 11.913 -2.987 1.296) 12.350 11.676 ( 3.757 1.191 3.563) 5.313 12.099 ( 12.395 6.155 -7.839) 15.905 12.394 ( -10.618 -1.705 8.884) 13.949 12.893 ( 5.546 0.766 5.856) 8.102 13.062 ( -13.905 -0.691 -5.801) 15.083 13.645 ( 7.804 1.579 11.927) 14.341 13.795 ( 7.095 -1.798 -1.975) 7.581 14.380 ( -12.124 -6.371 -4.526) 14.425 16.910 ( 0.039 4.501 -11.197) 12.068 ======================= Grid point 752 (366/468) ======================= q-point: (-0.09 -0.09 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 7.110 -0.000 25.108) 26.095 2.097 ( -6.273 0.000 16.158) 17.333 3.027 ( -12.413 0.000 6.236) 13.892 3.891 ( 9.281 -0.000 -4.525) 10.326 4.021 ( 3.548 -0.000 -0.767) 3.630 4.668 ( 4.329 -0.000 -15.230) 15.833 4.719 ( -18.544 0.000 5.728) 19.409 5.034 ( -5.502 0.000 3.382) 6.458 5.682 ( -2.693 0.000 5.672) 6.279 5.696 ( 5.628 -0.000 -12.572) 13.774 5.928 ( 3.518 -0.000 16.774) 17.139 6.343 ( -2.625 0.000 1.543) 3.045 6.380 ( -0.566 0.000 -7.104) 7.127 6.674 ( -8.271 0.000 -4.058) 9.213 8.023 ( -1.369 0.000 6.101) 6.253 8.078 ( 7.309 -0.000 2.931) 7.874 8.606 ( -3.720 0.000 4.897) 6.150 9.017 ( -11.034 0.000 -7.356) 13.261 9.126 ( 5.381 -0.000 0.482) 5.402 9.319 ( 17.980 -0.000 -2.610) 18.168 9.759 ( 5.461 -0.000 -5.230) 7.561 9.923 ( -16.388 0.000 -15.422) 22.504 10.053 ( 5.764 -0.000 4.753) 7.471 10.558 ( -2.181 0.000 5.989) 6.374 10.580 ( 0.781 -0.000 -2.038) 2.182 10.658 ( -0.933 0.000 4.456) 4.553 10.987 ( 13.666 -0.000 6.196) 15.005 11.727 ( 2.667 -0.000 -1.386) 3.005 12.196 ( 14.794 -0.000 -7.846) 16.746 12.401 ( -10.796 0.000 10.204) 14.855 12.761 ( -14.160 0.000 -12.133) 18.647 13.079 ( 3.515 -0.000 15.575) 15.967 13.881 ( 2.555 -0.000 11.807) 12.080 13.884 ( 11.695 -0.000 -1.101) 11.747 14.076 ( -14.648 0.000 -11.170) 18.421 16.740 ( -2.755 0.000 -15.797) 16.035 ======================= Grid point 753 (367/468) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 1.372 -0.000 2.991) 3.291 2.506 ( -0.021 0.000 1.968) 1.968 3.175 ( 10.143 -0.000 10.687) 14.734 3.703 ( -2.281 0.000 -13.956) 14.142 4.005 ( -9.091 0.000 -0.007) 9.091 4.262 ( 13.867 -0.000 -12.539) 18.696 4.665 ( -4.233 0.000 7.451) 8.569 4.862 ( -2.986 0.000 -3.046) 4.265 5.241 ( -10.991 0.000 4.797) 11.992 5.519 ( 1.470 -0.000 -6.040) 6.216 6.114 ( 3.770 -0.000 3.929) 5.445 6.266 ( 0.048 -0.000 -3.842) 3.842 6.489 ( -0.821 0.000 -0.180) 0.840 6.492 ( 0.148 -0.000 0.020) 0.149 7.979 ( -8.543 0.000 -1.002) 8.602 8.161 ( 9.625 -0.000 -9.153) 13.282 8.858 ( -5.731 0.000 9.159) 10.805 8.958 ( -3.678 0.000 6.548) 7.510 9.231 ( -0.430 0.000 1.577) 1.635 9.398 ( 10.513 -0.000 -8.464) 13.497 9.503 ( -5.060 0.000 4.066) 6.491 9.692 ( 7.354 -0.000 -5.470) 9.165 10.639 ( 3.783 -0.000 3.929) 5.454 10.664 ( -0.468 0.000 -0.703) 0.845 10.809 ( 0.226 -0.000 15.506) 15.507 10.829 ( 3.533 -0.000 13.343) 13.803 11.522 ( -11.358 0.000 -3.119) 11.779 11.632 ( 3.112 -0.000 -12.825) 13.197 11.786 ( 0.904 -0.000 0.637) 1.106 12.070 ( -13.723 0.000 -1.544) 13.809 12.539 ( 27.908 -0.000 -0.885) 27.922 12.884 ( -19.760 0.000 -19.387) 27.683 14.132 ( -13.241 0.000 5.642) 14.393 14.145 ( 0.727 -0.000 10.761) 10.786 14.552 ( 20.446 -0.000 21.569) 29.720 15.663 ( -4.512 0.000 -27.855) 28.218 ======================= Grid point 754 (368/468) ======================= q-point: ( 0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 2.419 0.477 0.702) 2.564 2.519 ( 2.935 -0.294 -0.223) 2.959 3.428 ( 2.406 -1.530 3.280) 4.346 3.450 ( -3.911 -2.841 -10.013) 11.119 3.886 ( -13.318 -4.103 2.336) 14.130 4.284 ( 11.251 0.453 -10.607) 15.469 4.745 ( 0.373 1.854 5.845) 6.143 4.785 ( -0.084 1.438 0.553) 1.543 5.246 ( -3.564 0.164 10.123) 10.734 5.520 ( 8.237 1.674 -4.173) 9.384 6.171 ( 1.916 3.999 2.740) 5.213 6.200 ( 0.059 1.390 -5.032) 5.221 6.483 ( -1.068 -2.408 1.832) 3.209 6.525 ( 0.354 -4.828 -1.562) 5.087 7.862 ( -10.674 -0.015 2.618) 10.990 8.146 ( 4.955 0.160 -7.470) 8.966 8.866 ( -6.741 5.578 9.344) 12.801 8.975 ( -1.389 1.483 1.476) 2.511 9.262 ( 6.890 2.294 -1.141) 7.351 9.371 ( 3.487 7.234 -4.665) 9.288 9.543 ( -0.896 -7.123 1.421) 7.319 9.749 ( 7.516 -7.819 -5.481) 12.152 10.616 ( -3.244 3.326 1.333) 4.833 10.647 ( -3.357 0.437 -0.507) 3.423 10.962 ( -4.013 0.027 0.819) 4.096 11.056 ( 7.457 6.115 11.464) 14.981 11.385 ( -2.060 -4.817 7.118) 8.838 11.452 ( -8.265 -7.458 -14.322) 18.140 11.893 ( 0.334 4.104 8.788) 9.705 11.982 ( 0.219 -3.067 3.035) 4.320 12.394 ( -18.113 1.083 -18.978) 26.257 12.891 ( 25.497 1.574 3.425) 25.775 14.000 ( -18.385 -1.831 3.919) 18.887 14.267 ( 1.165 -0.917 6.018) 6.198 15.060 ( 15.702 2.833 20.900) 26.295 15.259 ( 1.141 -0.500 -29.166) 29.193 ======================= Grid point 755 (369/468) ======================= q-point: ( 0.18 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.534 ( 4.448 -0.201 -3.959) 5.958 2.558 ( 0.934 1.097 0.861) 1.678 3.177 ( -6.778 -4.746 -13.042) 15.445 3.606 ( -1.755 -4.278 7.616) 8.910 3.817 ( -14.148 -6.705 6.970) 17.138 4.254 ( 5.231 -0.889 -9.053) 10.493 4.747 ( 1.950 5.851 3.061) 6.885 4.915 ( 9.058 -1.006 4.583) 10.201 5.357 ( -0.964 3.721 11.585) 12.206 5.551 ( 10.593 6.133 -3.867) 12.837 6.128 ( 1.152 3.161 -5.042) 6.061 6.219 ( 4.267 -0.996 2.974) 5.296 6.520 ( -1.112 -3.003 -3.812) 4.978 6.533 ( -1.581 -4.200 2.948) 5.369 7.798 ( -8.636 -0.952 6.088) 10.609 8.111 ( -0.060 -1.083 -2.813) 3.015 8.824 ( -4.162 6.161 2.633) 7.888 8.953 ( -5.052 1.232 3.516) 6.277 9.261 ( 4.704 11.420 -5.095) 13.360 9.334 ( 7.850 1.021 -2.679) 8.357 9.598 ( -1.911 -6.537 1.023) 6.887 9.851 ( 7.158 -9.040 -6.293) 13.136 10.552 ( -7.137 1.383 -1.259) 7.378 10.601 ( -0.519 -0.364 1.649) 1.767 10.761 ( -0.668 9.158 -11.516) 14.728 11.141 ( -7.844 -10.424 -12.148) 17.825 11.332 ( -1.680 4.099 11.605) 12.422 11.550 ( -11.123 -6.295 12.696) 18.015 11.913 ( 5.858 5.214 -5.132) 9.372 11.987 ( -7.566 0.819 -9.164) 11.912 12.229 ( 8.950 -6.733 14.807) 18.566 13.206 ( 17.235 3.941 6.565) 18.859 13.814 ( -18.981 -2.034 1.708) 19.166 14.325 ( -1.034 -1.262 0.212) 1.645 14.849 ( 3.747 3.163 -27.957) 28.384 15.557 ( 15.670 -0.234 19.349) 24.900 ======================= Grid point 756 (370/468) ======================= q-point: (-0.73 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( -2.904 -1.819 -10.510) 11.055 2.567 ( 1.278 0.816 -0.320) 1.550 3.074 ( -1.094 -6.480 -4.065) 7.727 3.627 ( -9.474 -3.030 2.403) 10.233 3.843 ( -11.774 -7.072 14.120) 19.698 4.269 ( 5.860 -7.403 -3.913) 10.221 4.767 ( 4.410 6.767 2.373) 8.419 5.083 ( 8.899 5.041 3.981) 10.975 5.360 ( -0.469 12.402 4.352) 13.151 5.656 ( 9.386 0.427 3.847) 10.153 6.040 ( 0.511 4.318 -5.628) 7.112 6.353 ( 6.351 -4.009 0.326) 7.518 6.467 ( 0.251 1.430 -0.960) 1.741 6.585 ( -1.107 -4.834 1.161) 5.093 7.803 ( -6.472 -1.330 7.511) 10.003 8.120 ( -2.242 -5.715 2.635) 6.680 8.736 ( -0.102 5.995 -3.113) 6.756 8.891 ( -11.134 1.772 3.279) 11.741 9.163 ( 0.867 6.733 -2.534) 7.246 9.399 ( 8.590 -1.257 -4.001) 9.559 9.639 ( 1.308 -1.792 0.955) 2.415 9.909 ( 4.961 -4.379 -4.621) 8.071 10.431 ( -6.895 1.311 -1.733) 7.229 10.489 ( -3.766 1.087 -14.606) 15.123 10.693 ( 1.062 -1.245 1.801) 2.433 10.976 ( -5.981 -5.652 -5.395) 9.840 11.332 ( -6.479 7.102 -4.122) 10.460 11.481 ( -13.921 -6.028 4.424) 15.802 11.790 ( 1.869 -3.282 -7.860) 8.721 12.128 ( 13.836 8.694 13.849) 21.420 12.612 ( 10.740 -7.596 14.124) 19.301 13.371 ( -3.703 1.945 7.878) 8.919 13.633 ( -6.850 1.490 -3.365) 7.776 14.201 ( -1.444 5.337 -14.594) 15.606 14.670 ( 6.877 -4.696 -11.103) 13.879 15.959 ( 12.751 0.417 16.528) 20.879 ======================= Grid point 757 (371/468) ======================= q-point: (-0.64 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -6.108 -5.668 -12.450) 14.981 2.553 ( -1.241 2.785 0.391) 3.074 3.083 ( -1.800 -3.994 -1.827) 4.747 3.577 ( -5.726 -6.003 2.847) 8.771 3.955 ( -9.370 -6.886 13.684) 17.957 4.429 ( 5.104 -11.904 4.943) 13.863 4.784 ( 4.269 10.704 0.953) 11.563 5.075 ( 1.511 11.153 -0.064) 11.255 5.366 ( 5.513 11.529 5.663) 13.978 5.799 ( 2.567 -2.277 4.622) 5.757 5.926 ( -0.496 4.397 -6.899) 8.196 6.386 ( 4.244 -3.486 -4.106) 6.857 6.511 ( 2.806 8.073 3.016) 9.063 6.646 ( 3.845 -7.660 -0.309) 8.576 7.836 ( -6.226 -1.224 8.576) 10.668 8.206 ( -2.159 -9.120 3.657) 10.061 8.669 ( 0.332 3.299 -2.078) 3.913 8.723 ( -8.961 5.036 -2.452) 10.568 9.108 ( -2.677 1.727 0.859) 3.300 9.450 ( 2.872 -6.182 -5.554) 8.793 9.714 ( 7.166 0.570 2.923) 7.761 9.964 ( 4.605 -0.699 0.708) 4.711 10.223 ( -5.814 3.137 -12.094) 13.781 10.358 ( -5.155 -4.528 -1.678) 7.064 10.650 ( -5.880 1.652 -1.969) 6.418 10.954 ( -3.741 -4.900 -7.300) 9.555 11.132 ( 0.978 3.160 -2.141) 3.940 11.447 ( -6.747 -2.421 2.704) 7.661 11.775 ( 4.078 -2.316 -5.373) 7.132 12.411 ( 14.099 8.717 13.115) 21.137 12.909 ( 3.459 -3.958 7.685) 9.311 13.271 ( -13.606 -2.847 -1.980) 14.041 13.557 ( 2.568 5.842 -0.955) 6.452 13.950 ( 0.717 6.775 -13.396) 15.029 14.737 ( 5.098 -6.449 -0.868) 8.266 16.278 ( 9.568 -0.503 12.161) 15.482 ======================= Grid point 758 (372/468) ======================= q-point: (-0.55 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.099 ( -9.153 -3.553 -8.627) 13.070 2.504 ( -3.836 5.398 2.846) 7.208 3.045 ( -1.575 -4.826 -4.614) 6.860 3.690 ( 1.446 -9.588 6.712) 11.793 4.035 ( -8.004 -3.846 8.434) 12.247 4.657 ( 1.371 16.611 -1.943) 16.780 4.715 ( 2.039 -14.391 11.618) 18.608 5.073 ( 1.672 -0.115 2.380) 2.911 5.348 ( 4.926 20.292 3.016) 21.098 5.765 ( -3.633 3.144 -8.080) 9.400 5.895 ( -1.361 -4.116 4.182) 6.024 6.442 ( 1.851 0.871 -2.452) 3.193 6.495 ( 5.510 2.409 2.193) 6.401 6.752 ( 4.366 -5.381 -2.384) 7.328 7.876 ( -4.855 0.243 7.841) 9.226 8.276 ( -2.474 -8.058 0.860) 8.473 8.473 ( -9.054 8.712 -2.924) 12.901 8.731 ( 4.872 -3.736 -0.802) 6.192 9.085 ( -2.183 1.673 2.861) 3.969 9.435 ( -0.560 -9.100 -8.929) 12.761 9.858 ( 5.337 -2.871 1.141) 6.167 10.016 ( -0.995 4.026 -1.611) 4.449 10.045 ( 1.612 2.744 3.178) 4.497 10.368 ( -0.176 -4.762 2.577) 5.418 10.515 ( -4.063 2.081 -6.947) 8.313 10.786 ( -6.864 1.671 -3.081) 7.707 11.209 ( 6.077 -4.027 -2.074) 7.579 11.421 ( -2.063 -1.928 -0.114) 2.826 11.771 ( 4.085 0.980 -5.679) 7.064 12.608 ( 10.137 7.085 3.120) 12.755 12.870 ( -13.322 -1.574 -2.125) 13.582 13.210 ( 5.762 1.485 -0.292) 5.957 13.547 ( -1.712 3.932 2.775) 5.108 13.798 ( 1.218 2.058 -6.085) 6.538 14.837 ( 1.871 -2.272 2.469) 3.842 16.508 ( 5.955 -2.971 6.693) 9.439 ======================= Grid point 759 (373/468) ======================= q-point: (-0.45 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -10.686 4.270 -0.563) 11.521 2.447 ( -5.484 6.613 5.787) 10.359 3.056 ( 4.162 -8.788 -4.964) 10.918 3.811 ( -4.052 2.405 2.828) 5.495 4.078 ( -1.040 -5.594 5.771) 8.105 4.541 ( -0.497 1.782 0.307) 1.876 4.976 ( 1.788 11.130 4.896) 12.290 5.117 ( -1.273 -15.080 6.602) 16.511 5.306 ( 5.231 9.816 2.801) 11.471 5.585 ( -6.077 2.232 -5.510) 8.501 5.943 ( -1.731 -0.305 2.970) 3.451 6.395 ( 0.527 4.328 -0.634) 4.406 6.612 ( 4.897 -3.270 0.856) 5.950 6.756 ( -3.056 -5.870 -5.676) 8.719 7.900 ( -2.291 2.121 5.079) 5.962 8.283 ( -3.847 5.110 -0.054) 6.396 8.367 ( 1.795 -5.697 2.133) 6.342 8.778 ( 0.964 -2.393 -3.454) 4.311 9.100 ( 0.017 3.814 5.337) 6.560 9.377 ( -0.186 -8.928 -11.839) 14.830 9.846 ( 1.032 0.192 -2.964) 3.144 10.046 ( 2.316 4.984 2.958) 6.241 10.141 ( 1.609 -5.091 7.241) 8.997 10.325 ( -2.105 4.762 -7.699) 9.294 10.487 ( -0.958 -2.785 5.561) 6.293 10.736 ( 1.737 0.904 1.593) 2.524 11.195 ( 0.288 3.637 -7.590) 8.421 11.470 ( 6.171 -7.258 -2.582) 9.871 11.713 ( 0.014 1.858 -3.509) 3.971 12.600 ( 0.452 1.081 -6.267) 6.375 12.775 ( -4.006 0.391 4.791) 6.258 13.286 ( 2.576 2.093 1.872) 3.810 13.494 ( -1.620 2.031 0.652) 2.679 13.782 ( 3.066 1.109 -1.260) 3.495 14.860 ( -2.022 4.277 2.131) 5.189 16.640 ( 1.884 -6.001 0.302) 6.297 ======================= Grid point 760 (374/468) ======================= q-point: (-0.36 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -6.745 11.016 9.705) 16.156 2.403 ( -5.922 7.164 8.262) 12.436 3.160 ( 7.041 -9.580 -4.171) 12.599 3.670 ( -6.316 9.945 0.121) 11.782 4.181 ( 2.477 -2.545 -0.345) 3.569 4.644 ( -1.958 -15.416 6.633) 16.897 4.780 ( -2.071 19.690 -4.792) 20.370 5.260 ( -1.100 -0.779 -8.612) 8.717 5.375 ( -3.814 -13.901 5.617) 15.470 5.555 ( 3.375 1.417 11.192) 11.775 5.922 ( -2.238 3.756 0.044) 4.373 6.373 ( -0.418 1.681 0.354) 1.768 6.609 ( -2.171 -1.077 -6.149) 6.610 6.713 ( -4.114 -6.902 -1.920) 8.261 7.932 ( 0.344 0.987 4.723) 4.838 8.222 ( 1.391 8.217 1.663) 8.498 8.510 ( 0.730 -8.516 4.772) 9.789 8.728 ( -0.377 -3.206 -5.372) 6.268 9.144 ( 1.837 6.422 6.287) 9.172 9.306 ( 3.524 -3.331 -9.918) 11.040 9.832 ( -0.956 1.695 -1.901) 2.721 10.052 ( 1.522 2.227 0.911) 2.847 10.171 ( -0.465 -0.560 -7.284) 7.320 10.306 ( -2.233 -2.753 6.145) 7.094 10.527 ( 3.325 -0.940 0.400) 3.478 10.793 ( 4.479 3.054 1.265) 5.567 11.040 ( 0.103 10.356 -3.442) 10.914 11.575 ( 6.208 -4.044 -2.665) 7.874 11.729 ( 3.374 -7.200 -0.424) 7.963 12.533 ( -5.645 -1.640 0.880) 5.944 12.844 ( 2.930 -1.499 6.587) 7.363 13.193 ( -9.899 0.141 -4.833) 11.017 13.577 ( 5.611 -1.050 5.479) 7.913 13.786 ( 4.247 2.995 -2.346) 5.702 14.759 ( -5.570 11.167 -0.076) 12.480 16.660 ( -2.087 -7.842 -6.416) 10.344 ======================= Grid point 761 (375/468) ======================= q-point: (-0.27 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.313 11.257 18.448) 21.651 2.386 ( -4.673 7.085 9.280) 12.576 3.201 ( -1.581 -1.293 -4.810) 5.225 3.618 ( 5.253 0.545 2.255) 5.742 4.178 ( 0.838 1.449 -3.156) 3.573 4.524 ( -2.507 12.180 -7.566) 14.556 4.821 ( -3.408 -13.813 2.162) 14.390 5.121 ( -8.222 -1.567 -3.264) 8.984 5.434 ( -0.314 -6.694 -3.137) 7.399 5.768 ( -0.412 -2.283 6.532) 6.932 5.874 ( 0.942 -0.855 3.952) 4.152 6.329 ( -3.276 -1.653 -4.317) 5.665 6.552 ( 1.788 5.177 0.832) 5.540 6.652 ( -6.918 -5.311 -4.914) 10.011 8.005 ( 3.970 0.506 3.054) 5.034 8.190 ( 2.696 9.063 -0.239) 9.458 8.556 ( -8.565 -7.875 3.100) 12.041 8.812 ( 4.776 -10.626 2.593) 11.935 9.174 ( 1.263 6.485 3.945) 7.695 9.294 ( 9.047 3.938 -4.895) 11.015 9.714 ( -4.942 2.439 -5.482) 7.773 10.013 ( -6.286 1.931 -10.148) 12.093 10.104 ( 3.999 2.063 3.758) 5.863 10.354 ( 1.804 -3.522 2.974) 4.950 10.653 ( 5.508 -1.074 3.066) 6.395 10.819 ( 1.964 4.758 2.274) 5.627 11.001 ( 4.794 7.513 6.451) 11.002 11.623 ( 3.536 -2.408 -3.294) 5.400 11.855 ( 11.050 -7.406 -5.103) 14.248 12.480 ( -12.151 -6.203 0.966) 13.676 12.950 ( -11.450 2.554 -5.947) 13.153 13.077 ( 6.498 -1.990 15.094) 16.553 13.693 ( 0.001 -6.730 -0.812) 6.778 13.812 ( 7.637 2.521 0.247) 8.046 14.542 ( -7.727 17.005 -0.834) 18.697 16.562 ( -5.061 -7.468 -12.664) 15.549 ======================= Grid point 762 (376/468) ======================= q-point: (-0.18 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 7.677 5.330 20.901) 22.895 2.396 ( -2.495 5.813 8.242) 10.390 3.082 ( -4.945 2.898 -3.258) 6.593 3.767 ( 9.649 -2.909 0.533) 10.092 4.112 ( -0.528 5.030 -2.388) 5.593 4.347 ( 2.680 2.313 -10.584) 11.161 4.817 ( -4.796 -2.341 -3.884) 6.601 5.012 ( -12.078 -3.908 1.445) 12.776 5.423 ( -3.520 -7.094 -4.458) 9.088 5.745 ( -3.203 -1.196 -1.507) 3.736 6.002 ( -0.221 -4.260 0.816) 4.343 6.264 ( -0.906 -0.873 0.022) 1.259 6.497 ( -2.283 4.356 -2.344) 5.448 6.589 ( -0.207 0.987 -0.570) 1.158 8.083 ( 6.996 1.119 -1.033) 7.160 8.133 ( 2.440 5.197 -3.116) 6.532 8.611 ( -6.990 -13.016 6.992) 16.345 8.979 ( -3.993 -4.935 8.730) 10.794 9.161 ( 1.573 3.552 -0.534) 3.921 9.316 ( 11.196 5.749 -5.043) 13.558 9.606 ( -4.188 -3.847 -2.719) 6.303 9.801 ( -3.649 7.552 -5.334) 9.940 10.215 ( 5.722 2.900 8.420) 10.585 10.478 ( 5.209 -4.824 2.455) 7.512 10.674 ( -2.272 2.245 1.012) 3.351 10.824 ( 0.245 6.412 3.648) 7.381 11.197 ( 9.662 1.431 12.934) 16.208 11.639 ( 4.343 -2.469 -4.653) 6.827 12.009 ( 16.128 -5.458 -5.732) 17.965 12.324 ( -15.110 -8.509 -8.913) 19.498 12.650 ( -14.097 8.180 -6.593) 17.582 13.471 ( 9.554 -2.743 24.624) 26.554 13.649 ( -8.146 -9.616 -10.340) 16.301 13.915 ( 8.240 0.848 1.589) 8.435 14.312 ( -6.117 17.440 4.158) 18.944 16.350 ( -6.517 -5.322 -18.202) 20.053 ======================= Grid point 763 (377/468) ======================= q-point: (-0.09 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( 4.057 -1.907 12.081) 12.886 2.433 ( 0.980 4.606 7.429) 8.796 3.013 ( 1.983 3.256 2.439) 4.526 3.832 ( 4.566 1.009 -7.440) 8.788 4.064 ( -1.587 1.009 0.989) 2.124 4.273 ( 9.623 -0.726 -13.281) 16.417 4.704 ( -9.953 1.948 2.668) 10.486 4.924 ( -4.779 -3.385 -2.982) 6.572 5.350 ( -11.315 -5.154 -0.613) 12.449 5.642 ( -3.621 1.633 -7.986) 8.919 6.018 ( 1.543 -0.792 2.945) 3.418 6.289 ( 0.071 -3.056 -1.748) 3.521 6.458 ( -0.524 -1.953 0.635) 2.119 6.551 ( 0.776 6.993 -0.735) 7.074 8.075 ( -3.225 0.695 -1.707) 3.714 8.138 ( 11.198 0.754 -7.749) 13.639 8.751 ( -4.969 -11.541 9.148) 15.543 8.969 ( -8.627 4.974 7.524) 12.481 9.199 ( -0.565 -3.748 2.513) 4.548 9.359 ( 12.482 0.905 -7.837) 14.766 9.552 ( -7.734 0.649 2.476) 8.147 9.694 ( 6.039 5.835 -4.872) 9.708 10.422 ( 6.823 -0.558 13.498) 15.135 10.603 ( 6.123 -1.501 1.779) 6.550 10.665 ( -1.867 -3.444 2.592) 4.697 10.803 ( -2.481 9.568 6.571) 11.869 11.457 ( 3.750 0.760 14.425) 14.924 11.659 ( 5.615 -3.783 -6.969) 9.717 12.021 ( -15.478 -3.952 -13.353) 20.820 12.236 ( 25.333 -2.260 -7.271) 26.453 12.327 ( -15.600 5.525 -4.611) 17.180 13.344 ( -16.739 -2.962 -18.090) 24.824 13.939 ( -2.645 -3.730 29.762) 30.111 14.076 ( 21.111 0.772 1.483) 21.177 14.212 ( -5.566 8.468 7.867) 12.829 16.042 ( -6.391 -2.512 -23.268) 24.260 ======================= Grid point 765 (378/468) ======================= q-point: ( 0.09 0.09 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.531 ( 5.098 -0.000 -3.598) 6.239 2.569 ( 1.193 -0.000 -0.927) 1.511 3.133 ( -7.593 0.000 -13.674) 15.641 3.562 ( -1.177 0.000 7.794) 7.882 3.762 ( -13.704 0.000 8.570) 16.163 4.247 ( 3.909 -0.000 -10.895) 11.575 4.825 ( 5.386 -0.000 2.875) 6.105 4.875 ( 4.565 -0.000 5.680) 7.288 5.382 ( 1.756 -0.000 12.987) 13.105 5.630 ( 12.468 -0.000 -3.637) 12.987 6.131 ( 0.116 -0.000 -5.931) 5.933 6.226 ( 0.074 -0.000 2.396) 2.397 6.483 ( 0.701 -0.000 2.273) 2.379 6.502 ( -0.314 0.000 -1.433) 1.467 7.791 ( -9.337 0.000 6.334) 11.283 8.102 ( -0.201 0.000 -4.107) 4.112 8.895 ( -12.034 0.000 10.367) 15.884 8.946 ( -2.135 0.000 -3.036) 3.712 9.362 ( 12.354 -0.000 -3.907) 12.957 9.437 ( 5.846 -0.000 -6.117) 8.462 9.470 ( -3.622 0.000 0.241) 3.630 9.748 ( 9.073 -0.000 -4.390) 10.079 10.571 ( -5.917 0.000 -1.026) 6.005 10.592 ( -1.941 0.000 -1.397) 2.392 10.918 ( -0.526 0.000 -3.868) 3.904 10.971 ( -7.193 0.000 -21.163) 22.352 11.419 ( -2.531 0.000 7.699) 8.105 11.445 ( -10.548 0.000 22.216) 24.593 11.937 ( -2.062 0.000 -21.635) 21.733 12.042 ( 1.777 -0.000 4.641) 4.970 12.145 ( 5.890 -0.000 16.058) 17.105 13.241 ( 15.630 -0.000 7.771) 17.456 13.798 ( -16.891 0.000 1.377) 16.947 14.310 ( -0.897 0.000 1.048) 1.380 14.877 ( 4.664 -0.000 -32.592) 32.924 15.557 ( 14.221 -0.000 22.283) 26.434 ======================= Grid point 766 (379/468) ======================= q-point: ( 0.18 0.09 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.444 ( -4.893 -0.062 -13.798) 14.640 2.549 ( 4.338 -1.929 -5.064) 6.941 3.009 ( -0.883 -1.406 0.781) 1.835 3.587 ( -8.841 -1.395 5.042) 10.272 3.770 ( -10.210 -1.798 14.940) 18.185 4.155 ( 0.084 -4.311 -8.113) 9.188 4.908 ( 7.325 8.904 3.632) 12.089 5.057 ( 8.702 -6.267 4.964) 11.817 5.565 ( 2.291 8.714 9.804) 13.316 5.681 ( 8.466 1.048 -2.331) 8.843 6.079 ( 1.595 0.110 -5.246) 5.484 6.291 ( 3.558 -1.775 3.740) 5.459 6.457 ( -1.905 -1.843 -3.342) 4.265 6.552 ( 3.022 0.148 4.057) 5.061 7.784 ( -6.789 -0.653 7.745) 10.320 8.054 ( -3.614 -1.914 -0.143) 4.092 8.821 ( -7.190 4.236 1.510) 8.481 8.883 ( -10.144 -2.537 2.655) 10.788 9.324 ( 0.486 10.434 -4.681) 11.446 9.397 ( 8.558 0.693 -10.229) 13.355 9.547 ( 2.521 -8.281 2.090) 8.905 9.847 ( 10.594 -2.271 -3.005) 11.244 10.456 ( -5.304 2.128 -9.529) 11.111 10.508 ( -4.054 -0.492 -8.114) 9.083 10.690 ( -2.134 0.975 -2.873) 3.709 10.896 ( -0.907 -3.190 -3.474) 4.802 11.376 ( -21.202 -2.483 -1.680) 21.413 11.449 ( -2.984 3.072 6.559) 7.833 11.735 ( -0.626 -2.376 -5.506) 6.029 12.281 ( 16.979 8.153 12.832) 22.790 12.477 ( 10.074 -7.536 14.653) 19.313 13.377 ( -13.815 -0.354 8.386) 16.165 13.677 ( 2.992 2.279 -3.158) 4.912 14.255 ( -3.757 1.212 -5.893) 7.094 14.605 ( 11.407 -2.222 -24.844) 27.428 15.972 ( 10.417 0.628 19.617) 22.220 ======================= Grid point 767 (380/468) ======================= q-point: ( 0.27 0.09 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -3.696 -3.715 -16.257) 17.081 2.546 ( 2.280 -2.674 -5.206) 6.281 3.063 ( -0.875 0.597 6.087) 6.178 3.515 ( -9.459 -0.488 2.800) 9.877 3.869 ( -8.840 -2.664 15.241) 17.820 4.176 ( -0.213 -14.934 -0.664) 14.950 4.968 ( 9.241 11.171 3.472) 14.908 5.257 ( 6.411 2.385 2.965) 7.455 5.482 ( 0.638 6.806 -1.666) 7.036 5.819 ( 2.975 2.108 6.219) 7.209 5.999 ( -2.063 4.920 -5.459) 7.633 6.353 ( 5.920 0.036 -1.570) 6.125 6.509 ( 2.766 -8.147 1.603) 8.751 6.632 ( 3.970 5.369 5.012) 8.349 7.805 ( -6.427 -1.531 6.846) 9.514 8.062 ( -3.993 -7.208 2.987) 8.765 8.718 ( -3.606 2.610 -1.678) 4.757 8.782 ( -12.341 1.097 2.439) 12.628 9.191 ( -0.248 7.648 -3.273) 8.323 9.364 ( 3.919 -3.608 -9.424) 10.825 9.671 ( 4.166 -5.610 1.030) 7.063 9.963 ( 10.304 0.451 0.002) 10.314 10.212 ( -6.230 -3.436 -12.606) 14.475 10.381 ( -4.279 6.186 -0.712) 7.556 10.664 ( -2.694 0.039 -2.391) 3.602 10.880 ( -0.497 -2.948 -3.096) 4.304 11.121 ( -9.633 -4.443 -7.428) 12.950 11.470 ( -1.367 4.912 6.042) 7.906 11.723 ( 1.097 -3.717 -1.841) 4.290 12.567 ( 13.695 9.018 12.339) 20.521 12.829 ( 8.796 -5.279 10.205) 14.469 13.211 ( -16.807 -3.501 -1.122) 17.204 13.656 ( 2.400 5.049 -2.553) 6.146 14.053 ( -3.445 5.013 -12.300) 13.721 14.610 ( 13.059 -7.350 -8.548) 17.252 16.289 ( 6.209 1.206 15.669) 16.898 ======================= Grid point 768 (381/468) ======================= q-point: (-0.64 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( 0.117 -3.093 -10.465) 10.914 2.524 ( -0.410 -2.605 -3.524) 4.401 3.069 ( -4.196 6.434 4.351) 8.828 3.515 ( -2.147 -8.497 4.692) 9.941 3.950 ( -8.872 -4.753 9.997) 14.186 4.376 ( 0.019 -21.353 6.905) 22.442 4.977 ( 3.895 17.718 -2.818) 18.358 5.177 ( 0.730 9.696 1.796) 9.888 5.585 ( 8.084 2.286 4.504) 9.532 5.794 ( -7.588 2.005 -7.584) 10.914 5.866 ( -0.330 2.081 1.113) 2.383 6.445 ( 7.161 3.689 1.613) 8.215 6.563 ( 1.601 -0.109 -2.074) 2.623 6.709 ( 3.069 2.240 4.465) 5.863 7.830 ( -6.717 -4.324 6.818) 10.502 8.126 ( -3.533 -10.213 1.173) 10.871 8.607 ( -8.398 6.310 -0.328) 10.509 8.686 ( -0.606 -0.662 -0.147) 0.910 9.129 ( -0.126 3.423 1.612) 3.786 9.311 ( 1.138 -5.219 -10.288) 11.592 9.774 ( 2.311 -5.918 1.236) 6.472 10.065 ( 1.211 -0.276 -3.018) 3.263 10.108 ( 4.832 3.216 1.877) 6.101 10.309 ( -1.931 1.115 4.169) 4.728 10.548 ( -3.649 1.404 -7.261) 8.247 10.801 ( -5.211 0.121 -2.931) 5.980 11.089 ( 3.553 -9.298 -4.984) 11.132 11.464 ( -1.208 6.404 3.024) 7.185 11.770 ( 4.854 -1.615 -1.897) 5.456 12.737 ( 8.262 6.844 1.978) 10.910 12.842 ( -14.007 -0.731 -3.252) 14.398 13.205 ( 8.674 -2.076 3.113) 9.447 13.622 ( -0.975 4.554 1.767) 4.981 13.827 ( -2.744 1.412 -10.591) 11.031 14.762 ( 9.813 -5.697 -1.006) 11.391 16.493 ( 1.612 0.780 10.505) 10.657 ======================= Grid point 769 (382/468) ======================= q-point: (-0.55 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( 1.362 4.032 -0.426) 4.278 2.500 ( -1.826 -1.165 -0.355) 2.195 3.018 ( -0.122 5.182 2.364) 5.697 3.679 ( -0.462 -13.200 5.446) 14.287 3.978 ( -9.376 -6.065 6.354) 12.848 4.685 ( 2.348 -24.227 8.028) 25.630 4.732 ( -3.061 16.254 -6.820) 17.890 5.213 ( 2.880 9.453 6.541) 11.851 5.514 ( -6.662 4.314 -9.043) 12.032 5.658 ( 2.971 10.745 -2.710) 11.472 5.916 ( 0.255 -2.342 5.323) 5.821 6.436 ( 1.334 1.961 -3.643) 4.347 6.606 ( 3.536 0.308 1.564) 3.879 6.714 ( -3.761 2.799 -0.028) 4.688 7.872 ( -4.710 -4.999 3.936) 7.916 8.180 ( -2.115 -10.346 1.247) 10.633 8.472 ( -1.551 9.575 0.733) 9.727 8.715 ( -0.733 -3.842 0.302) 3.923 9.164 ( 1.192 1.921 5.808) 6.232 9.242 ( 0.655 -4.508 -7.941) 9.155 9.841 ( 1.540 -2.163 -1.028) 2.847 10.073 ( 2.485 -0.403 2.597) 3.617 10.116 ( -0.252 1.192 -0.617) 1.366 10.389 ( -3.824 2.843 -6.203) 7.822 10.458 ( 4.621 -0.499 9.329) 10.423 10.748 ( 1.160 0.454 0.479) 1.335 11.163 ( 6.128 -8.361 -6.396) 12.181 11.421 ( -0.136 4.155 0.201) 4.162 11.768 ( 1.279 2.884 -4.904) 5.831 12.616 ( -4.366 0.671 -7.519) 8.720 12.776 ( -2.663 0.013 2.065) 3.369 13.326 ( 2.086 2.282 -0.251) 3.102 13.534 ( -1.340 2.598 -2.019) 3.553 13.784 ( 4.369 -0.698 -1.043) 4.545 14.891 ( 5.366 -0.629 1.152) 5.525 16.578 ( -3.047 -1.255 4.189) 5.330 ======================= Grid point 770 (383/468) ======================= q-point: (-0.45 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 1.073 11.910 9.137) 15.049 2.493 ( -1.948 2.387 3.677) 4.797 3.063 ( 6.887 -0.253 1.055) 6.972 3.735 ( -9.066 -3.812 0.077) 9.835 4.054 ( -3.448 -11.921 6.414) 13.969 4.538 ( -2.850 4.659 -2.224) 5.896 5.011 ( 3.438 -20.970 4.134) 21.648 5.141 ( -3.061 18.276 0.593) 18.540 5.280 ( -5.719 -2.269 -13.208) 14.571 5.609 ( 2.340 6.636 5.092) 8.685 5.971 ( -0.304 1.719 1.832) 2.531 6.416 ( 1.180 1.284 -1.373) 2.220 6.548 ( -5.752 -2.863 -7.620) 9.967 6.684 ( -0.290 2.666 3.308) 4.259 7.896 ( -2.834 -5.304 1.760) 6.266 8.299 ( -1.639 -6.501 7.556) 10.102 8.430 ( 4.856 5.885 0.404) 7.640 8.690 ( -4.658 -1.485 -2.812) 5.640 9.212 ( 1.764 -6.713 -4.840) 8.462 9.264 ( 3.117 7.432 9.249) 12.267 9.852 ( 4.151 1.249 -1.976) 4.764 10.075 ( -0.627 -0.387 -3.826) 3.896 10.166 ( 0.146 -1.190 -1.679) 2.063 10.271 ( -1.295 0.074 1.916) 2.314 10.557 ( 1.936 3.782 3.492) 5.500 10.827 ( 7.561 0.644 0.351) 7.597 11.181 ( 2.971 5.335 -2.397) 6.560 11.463 ( 6.868 -7.834 -1.160) 10.483 11.678 ( -2.149 1.375 -2.477) 3.555 12.503 ( -6.072 -1.677 -2.866) 6.921 12.806 ( -0.106 -2.880 5.377) 6.101 13.190 ( -9.809 -0.783 -6.187) 11.624 13.581 ( 6.082 1.661 1.674) 6.524 13.829 ( 6.022 1.797 -2.116) 6.631 14.919 ( 1.329 6.799 0.353) 6.936 16.548 ( -6.834 -4.616 -2.704) 8.679 ======================= Grid point 771 (384/468) ======================= q-point: (-0.36 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 2.405 13.377 14.866) 20.143 2.499 ( -1.745 5.678 6.265) 8.634 3.169 ( 6.754 -0.495 -2.061) 7.079 3.643 ( -5.131 -0.905 1.806) 5.515 4.146 ( -2.653 -5.018 1.212) 5.804 4.544 ( -4.767 -11.891 4.073) 13.443 4.834 ( -6.954 19.034 -6.522) 21.289 5.077 ( -2.511 -3.244 -12.861) 13.499 5.267 ( 2.196 -13.699 -0.030) 13.874 5.710 ( 0.259 -2.523 7.671) 8.080 5.921 ( -1.445 4.898 -1.740) 5.395 6.345 ( -1.900 3.476 -2.187) 4.525 6.501 ( -0.300 -6.793 -3.400) 7.602 6.670 ( -0.405 3.718 -0.155) 3.743 7.957 ( 0.462 -6.608 2.283) 7.007 8.364 ( 2.837 9.200 4.124) 10.474 8.443 ( -10.636 -4.007 0.402) 11.373 8.659 ( 3.174 -6.687 1.951) 7.655 9.255 ( 5.109 -0.523 -0.336) 5.147 9.342 ( 2.170 5.572 6.030) 8.492 9.781 ( -3.341 5.549 -10.204) 12.087 10.060 ( -2.084 0.552 -3.016) 3.708 10.080 ( 4.573 -0.548 -0.689) 4.657 10.348 ( 1.358 -0.205 4.519) 4.723 10.642 ( 6.527 0.954 5.341) 8.487 10.891 ( 4.916 3.040 0.698) 5.822 11.132 ( 3.598 7.819 -0.184) 8.609 11.605 ( 5.649 -0.000 -1.584) 5.867 11.688 ( 4.176 -11.276 -1.035) 12.068 12.387 ( -11.462 -4.524 -3.262) 12.747 12.941 ( -5.819 -4.141 3.008) 7.749 13.043 ( -1.953 -1.689 7.529) 7.959 13.623 ( 1.384 -1.083 -3.434) 3.858 13.867 ( 9.150 3.294 -2.230) 9.977 14.816 ( -2.411 14.261 -0.856) 14.488 16.426 ( -8.669 -7.586 -9.442) 14.895 ======================= Grid point 772 (385/468) ======================= q-point: (-0.27 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 4.325 8.198 15.880) 18.387 2.505 ( -1.318 6.441 6.119) 8.981 3.145 ( 0.363 4.528 -3.351) 5.645 3.723 ( 5.706 -3.835 4.103) 8.006 4.138 ( -2.000 0.523 0.246) 2.082 4.497 ( -5.249 12.074 -8.438) 15.638 4.665 ( -3.660 -14.673 -0.573) 15.133 4.934 ( -6.047 -3.022 -6.061) 9.079 5.325 ( -2.219 -5.589 -3.370) 6.893 5.718 ( -5.058 -1.561 -1.923) 5.632 5.934 ( 3.992 -2.037 1.080) 4.610 6.305 ( 0.607 4.513 1.239) 4.719 6.468 ( -4.495 -4.465 -4.799) 7.948 6.656 ( 3.855 3.937 0.634) 5.547 8.064 ( 5.842 -5.456 -0.843) 8.038 8.239 ( -5.678 5.011 -5.596) 9.415 8.434 ( -5.584 -3.283 8.834) 10.954 8.848 ( 2.996 -8.889 7.414) 11.957 9.269 ( -0.099 8.485 -2.288) 8.789 9.386 ( 5.186 0.603 -1.717) 5.496 9.558 ( -5.714 -0.199 -4.104) 7.038 9.937 ( -0.111 7.843 -3.981) 8.796 10.234 ( 5.101 -0.886 7.610) 9.204 10.442 ( 5.593 0.275 4.522) 7.198 10.720 ( -1.249 2.777 1.563) 3.423 10.928 ( 3.230 5.645 3.816) 7.541 11.222 ( 10.899 0.924 6.682) 12.818 11.604 ( 0.200 -0.840 -2.503) 2.648 11.867 ( 10.566 -10.760 -2.845) 15.346 12.208 ( -10.908 -5.154 -8.455) 14.732 12.750 ( -13.782 2.984 -5.105) 14.997 13.371 ( 2.591 -8.774 22.165) 23.979 13.544 ( -2.268 -1.750 -7.589) 8.112 13.957 ( 12.712 3.338 -0.751) 13.164 14.618 ( -5.719 17.735 0.537) 18.642 16.229 ( -8.448 -8.273 -15.822) 19.752 ======================= Grid point 773 (386/468) ======================= q-point: (-0.18 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 2.042 1.446 9.834) 10.147 2.514 ( -0.231 4.556 4.593) 6.473 3.108 ( 5.277 7.191 2.651) 9.305 3.839 ( 3.065 -1.614 -3.056) 4.619 4.101 ( -1.711 3.945 1.782) 4.655 4.290 ( 3.481 3.742 -9.993) 11.224 4.716 ( 0.035 -6.157 -2.981) 6.840 4.811 ( -11.661 -5.061 -0.567) 12.724 5.264 ( -7.731 -3.321 -0.316) 8.420 5.651 ( 0.384 -1.236 -7.805) 7.911 5.980 ( -0.623 -2.872 1.107) 3.140 6.274 ( -1.207 1.659 -1.316) 2.438 6.435 ( -0.391 -0.726 1.960) 2.127 6.668 ( 3.657 5.460 -1.388) 6.717 8.088 ( -6.186 -0.511 -3.540) 7.146 8.144 ( 9.074 -0.776 -6.380) 11.119 8.549 ( -3.487 -8.469 10.673) 14.064 9.010 ( -4.520 -1.889 7.280) 8.775 9.118 ( -1.132 -2.647 -6.288) 6.916 9.380 ( 5.536 1.183 -6.604) 8.698 9.576 ( -2.639 1.575 8.316) 8.866 9.840 ( 4.540 9.789 -3.415) 11.318 10.390 ( 1.383 -2.495 9.409) 9.832 10.585 ( 7.947 -0.092 3.969) 8.884 10.666 ( -1.655 2.120 -0.638) 2.764 10.974 ( 0.854 9.865 9.800) 13.932 11.472 ( 8.803 -0.782 10.500) 13.724 11.562 ( -2.895 -5.044 -6.857) 8.991 11.928 ( -11.520 -6.401 -3.322) 13.591 12.171 ( 22.361 -5.050 -7.917) 24.252 12.443 ( -15.794 6.342 -7.507) 18.601 13.271 ( -12.871 -4.532 -16.478) 21.395 13.852 ( 1.877 -5.835 28.033) 28.695 14.113 ( 17.257 3.086 0.660) 17.544 14.422 ( -6.823 14.768 4.928) 16.998 15.962 ( -6.869 -6.620 -21.883) 23.872 ======================= Grid point 774 (387/468) ======================= q-point: (-0.09 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 0.911 -0.518 3.654) 3.801 2.522 ( -0.045 1.558 0.645) 1.686 3.237 ( 10.413 6.140 9.439) 15.337 3.714 ( -4.473 0.783 -12.593) 13.387 4.052 ( -5.863 6.180 0.772) 8.553 4.258 ( 10.242 -0.368 -8.710) 13.450 4.684 ( -1.714 1.826 2.265) 3.377 4.781 ( -4.447 -9.433 -1.093) 10.485 5.216 ( -8.141 -1.858 5.586) 10.047 5.542 ( 1.197 1.676 -8.091) 8.349 6.056 ( 1.828 -5.686 3.697) 7.024 6.236 ( 0.226 -2.179 -4.143) 4.687 6.472 ( -0.319 1.719 3.889) 4.264 6.611 ( 1.144 7.850 -2.844) 8.428 7.976 ( -9.110 -0.576 -0.635) 9.150 8.160 ( 9.177 -0.364 -9.394) 13.137 8.731 ( -2.597 -9.861 10.293) 14.489 8.966 ( -4.243 -1.183 1.495) 4.651 9.174 ( 0.834 -5.901 1.690) 6.195 9.366 ( 4.959 -2.102 -7.155) 8.956 9.583 ( -3.540 7.181 6.028) 10.022 9.794 ( 7.887 9.886 -4.306) 13.360 10.552 ( -2.572 -9.037 7.511) 12.029 10.653 ( 0.789 0.032 0.132) 0.801 10.750 ( 9.748 -0.063 7.421) 12.252 11.012 ( -3.566 11.382 12.326) 17.152 11.439 ( -5.977 -5.937 -8.567) 12.015 11.659 ( 1.872 1.366 4.860) 5.385 11.815 ( -1.478 1.380 -2.862) 3.504 12.102 ( -13.723 3.877 -5.814) 15.400 12.483 ( 24.194 -6.157 -0.555) 24.971 12.881 ( -14.602 -0.258 -19.654) 24.486 14.137 ( -2.027 -0.458 12.545) 12.716 14.181 ( -9.815 4.461 5.048) 11.904 14.563 ( 18.746 1.663 18.873) 26.653 15.629 ( -4.110 -3.799 -27.266) 27.834 ======================= Grid point 777 (388/468) ======================= q-point: ( 0.18 0.18 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -2.792 0.000 -17.727) 17.946 2.514 ( 3.140 -0.000 -6.573) 7.285 3.070 ( -0.153 0.000 7.635) 7.637 3.528 ( -10.605 0.000 6.162) 12.265 3.862 ( -7.155 0.000 16.936) 18.386 4.014 ( -3.225 0.000 -6.313) 7.089 5.155 ( 11.375 -0.000 5.147) 12.485 5.157 ( 8.550 -0.000 3.834) 9.370 5.581 ( -3.194 0.000 -9.848) 10.353 5.824 ( 3.372 -0.000 8.760) 9.387 6.062 ( -2.464 0.000 -3.330) 4.142 6.383 ( 5.229 -0.000 -1.822) 5.537 6.399 ( 4.284 -0.000 5.363) 6.864 6.679 ( 4.591 -0.000 6.045) 7.591 7.794 ( -5.237 0.000 5.428) 7.542 7.992 ( -6.342 0.000 1.876) 6.614 8.750 ( -7.307 0.000 -1.109) 7.391 8.777 ( -11.525 0.000 5.300) 12.686 9.296 ( 3.452 -0.000 -9.791) 10.382 9.327 ( 1.156 -0.000 -9.181) 9.254 9.591 ( 3.475 -0.000 3.604) 5.006 9.969 ( 11.858 -0.000 -0.912) 11.893 10.178 ( -6.024 0.000 -13.009) 14.336 10.454 ( -3.166 0.000 -0.517) 3.208 10.660 ( -0.372 0.000 -2.019) 2.053 10.856 ( -0.373 0.000 -2.607) 2.633 11.065 ( -14.098 0.000 -7.022) 15.750 11.538 ( 3.048 -0.000 6.021) 6.748 11.674 ( -2.438 0.000 -0.746) 2.549 12.684 ( 6.139 -0.000 9.202) 11.062 12.747 ( 19.627 -0.000 14.317) 24.294 13.177 ( -19.181 0.000 -1.508) 19.240 13.704 ( 2.261 -0.000 -3.633) 4.279 14.102 ( -7.915 0.000 -9.028) 12.006 14.536 ( 18.572 -0.000 -13.460) 22.937 16.302 ( 5.129 -0.000 16.895) 17.656 ======================= Grid point 778 (389/468) ======================= q-point: ( 0.27 0.18 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 5.610 -1.218 -11.387) 12.752 2.471 ( 0.785 -2.251 -5.519) 6.012 3.158 ( -1.592 1.845 8.466) 8.810 3.470 ( -7.435 2.757 5.401) 9.594 3.898 ( -7.362 -0.806 3.853) 8.348 4.056 ( -2.861 -13.644 9.100) 16.648 5.223 ( 6.501 10.678 -1.082) 12.549 5.337 ( 0.801 7.141 -1.065) 7.265 5.484 ( 6.429 -9.254 3.250) 11.728 5.828 ( -12.174 0.967 -13.633) 18.303 5.913 ( 2.322 1.653 2.386) 3.717 6.514 ( 4.047 -1.289 3.740) 5.659 6.560 ( 11.292 4.762 6.036) 13.661 6.771 ( -0.354 2.594 5.648) 6.225 7.774 ( -5.908 -1.449 2.469) 6.565 7.959 ( -7.775 -7.092 2.102) 10.731 8.662 ( -6.589 0.965 1.998) 6.952 8.707 ( -6.159 1.402 2.404) 6.758 9.193 ( 0.751 3.288 -6.679) 7.482 9.256 ( 3.928 -1.667 -7.808) 8.898 9.685 ( 1.689 -3.572 2.932) 4.920 10.008 ( 0.354 -3.227 -3.569) 4.825 10.155 ( 8.656 1.579 3.623) 9.515 10.392 ( -2.786 5.243 0.934) 6.010 10.558 ( -6.353 -0.214 -6.413) 9.030 10.801 ( -2.874 0.222 -2.732) 3.971 10.942 ( 1.292 -6.164 -4.389) 7.676 11.592 ( 0.657 7.561 2.012) 7.852 11.712 ( 4.645 -5.066 1.420) 7.018 12.780 ( -4.736 -0.279 3.513) 5.904 12.894 ( -5.504 4.404 -10.167) 12.372 13.153 ( 14.186 -2.897 9.581) 17.362 13.685 ( 1.174 2.235 0.321) 2.545 13.844 ( -9.237 0.506 -12.438) 15.501 14.678 ( 16.023 -3.140 -3.524) 16.704 16.513 ( -0.629 0.885 12.694) 12.741 ======================= Grid point 779 (390/468) ======================= q-point: ( 0.36 0.18 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 11.224 2.361 -0.484) 11.480 2.444 ( 0.253 -3.690 -3.190) 4.884 3.177 ( -3.750 9.958 8.174) 13.418 3.489 ( -0.794 -6.185 4.233) 7.537 3.873 ( -10.707 -6.265 4.681) 13.259 4.295 ( 1.398 -19.354 7.536) 20.816 4.999 ( -6.342 12.985 -8.831) 16.936 5.373 ( 5.645 9.711 6.520) 12.988 5.487 ( -13.121 -3.970 -15.532) 20.716 5.726 ( 10.019 -5.690 2.247) 11.739 5.944 ( 2.439 4.641 2.406) 5.769 6.538 ( 1.995 7.414 -5.689) 9.556 6.619 ( -0.911 4.628 4.610) 6.596 6.794 ( -2.607 3.779 4.110) 6.162 7.773 ( -4.147 -5.212 2.452) 7.098 7.970 ( -6.483 -13.002 1.737) 14.632 8.607 ( -3.520 4.870 3.161) 6.790 8.683 ( -0.876 0.563 2.051) 2.300 9.117 ( -0.228 -2.928 -5.781) 6.485 9.275 ( 6.057 3.688 2.850) 7.643 9.770 ( 1.053 -4.824 2.620) 5.590 10.045 ( 3.316 -3.145 -0.901) 4.658 10.179 ( -1.917 6.387 -2.454) 7.106 10.431 ( -2.625 0.283 -4.389) 5.122 10.451 ( 5.068 0.690 11.770) 12.834 10.750 ( 0.004 -0.179 -0.938) 0.955 11.001 ( 6.707 -8.420 -5.727) 12.193 11.542 ( -0.130 7.988 0.543) 8.008 11.784 ( 2.176 -1.071 -3.451) 4.217 12.619 ( -8.877 -0.161 -5.894) 10.657 12.782 ( -0.864 0.627 -3.791) 3.938 13.357 ( 0.800 1.268 -1.153) 1.892 13.577 ( -0.717 2.237 -4.336) 4.931 13.764 ( 5.553 -1.349 -0.513) 5.737 14.857 ( 11.328 -2.496 0.036) 11.600 16.583 ( -6.647 1.146 7.154) 9.832 ======================= Grid point 780 (391/468) ======================= q-point: (-0.55 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.167 ( 7.274 9.217 7.990) 14.202 2.482 ( 5.194 -2.902 -0.243) 5.955 3.155 ( -0.103 9.687 7.675) 12.360 3.590 ( -3.606 -10.144 0.974) 10.810 3.860 ( -11.568 -9.519 6.613) 16.376 4.565 ( 0.951 -16.921 -0.226) 16.949 4.757 ( 0.690 5.515 -1.862) 5.862 5.201 ( -9.184 -6.561 -14.974) 18.751 5.394 ( -2.345 11.055 4.731) 12.251 5.787 ( 5.361 9.975 -4.789) 12.295 5.987 ( 1.389 1.422 4.746) 5.145 6.417 ( 0.721 2.273 -4.430) 5.031 6.570 ( -5.320 3.229 -3.028) 6.921 6.749 ( -3.751 3.562 2.920) 5.940 7.781 ( -3.379 -6.806 -1.393) 7.725 8.102 ( -2.160 -14.031 8.206) 16.397 8.572 ( 0.258 6.904 2.513) 7.352 8.687 ( -1.699 1.835 0.913) 2.662 9.103 ( 0.616 -5.010 -1.624) 5.303 9.395 ( 5.280 7.198 10.428) 13.728 9.851 ( 4.712 -2.678 -0.513) 5.444 10.044 ( 0.096 -2.465 -6.007) 6.494 10.146 ( 2.127 1.450 2.834) 3.829 10.323 ( -2.826 4.173 -3.547) 6.163 10.623 ( 2.584 3.411 6.514) 7.794 10.814 ( 7.915 -2.079 -0.236) 8.187 11.129 ( 7.937 -10.023 0.984) 12.823 11.461 ( -0.266 7.331 -2.968) 7.914 11.716 ( -1.788 1.628 -3.954) 4.635 12.478 ( -6.720 -1.204 -4.441) 8.144 12.752 ( -2.103 -3.049 2.196) 4.306 13.168 ( -10.968 -1.589 -8.191) 13.781 13.629 ( 7.767 3.569 0.105) 8.549 13.843 ( 7.808 -0.195 -2.233) 8.123 14.985 ( 7.826 1.385 -0.147) 7.949 16.510 ( -11.880 -0.241 0.749) 11.906 ======================= Grid point 781 (392/468) ======================= q-point: (-0.45 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 1.766 9.537 9.662) 13.691 2.583 ( 6.372 4.535 3.373) 8.517 3.214 ( 6.121 5.582 4.596) 9.474 3.565 ( -9.748 -6.873 0.950) 11.965 3.938 ( -9.344 -16.430 7.358) 20.283 4.503 ( -1.924 3.211 -2.544) 4.526 4.941 ( 0.161 -12.734 -7.394) 14.726 5.007 ( 4.118 -8.156 -7.564) 11.861 5.195 ( -10.333 15.253 -2.223) 18.557 5.727 ( 2.153 5.134 0.119) 5.568 6.008 ( -0.130 4.689 0.540) 4.722 6.402 ( 0.686 -3.606 -4.531) 5.831 6.427 ( -1.947 4.863 -1.107) 5.354 6.717 ( -2.211 1.374 0.510) 2.653 7.803 ( -1.866 -9.958 -0.589) 10.148 8.291 ( -6.953 -9.762 10.949) 16.233 8.564 ( 3.344 4.678 1.224) 5.879 8.618 ( -1.159 5.915 -1.622) 6.242 9.179 ( 2.582 -5.643 2.898) 6.849 9.489 ( 0.932 9.465 8.674) 12.872 9.888 ( 2.060 6.140 -12.800) 14.345 9.999 ( 3.885 -3.750 2.914) 6.135 10.143 ( 1.028 3.779 -3.480) 5.239 10.308 ( 1.594 -2.737 5.036) 5.949 10.694 ( 4.763 4.194 5.323) 8.284 10.902 ( 7.606 -1.761 -2.728) 8.270 11.276 ( 2.537 8.576 -1.276) 9.034 11.437 ( 5.227 -14.423 -0.249) 15.342 11.666 ( -0.460 3.875 1.374) 4.137 12.326 ( -10.198 -2.713 -5.742) 12.014 12.832 ( -5.621 -7.604 5.925) 11.159 13.010 ( -5.345 -2.294 1.884) 6.114 13.648 ( 4.183 3.459 -4.785) 7.236 13.911 ( 10.177 1.492 -3.163) 10.761 15.009 ( 4.166 8.043 -2.110) 9.300 16.326 ( -14.428 -3.770 -5.775) 15.992 ======================= Grid point 782 (393/468) ======================= q-point: (-0.36 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 1.515 5.918 9.049) 10.918 2.617 ( 1.204 6.948 2.777) 7.578 3.245 ( 3.575 7.317 -0.784) 8.181 3.611 ( -1.569 -8.667 7.227) 11.393 4.061 ( -7.498 -14.298 7.864) 17.958 4.469 ( -0.355 -0.783 0.102) 0.866 4.682 ( -6.155 4.517 -17.988) 19.541 4.955 ( -4.429 7.234 -2.374) 8.808 5.187 ( 4.736 -10.550 -3.349) 12.040 5.696 ( -5.124 -0.332 -1.071) 5.245 5.963 ( 4.080 5.054 -1.761) 6.730 6.386 ( 1.998 2.014 2.003) 3.473 6.397 ( -1.395 -1.194 -4.163) 4.550 6.694 ( 0.287 0.425 0.108) 0.524 7.886 ( 0.283 -12.868 -0.832) 12.898 8.269 ( -14.390 0.253 3.501) 14.812 8.543 ( 4.280 11.777 1.756) 12.653 8.698 ( 4.748 -8.270 5.382) 10.950 9.317 ( 2.453 -5.778 4.850) 7.932 9.452 ( -2.383 11.368 -3.307) 12.077 9.612 ( -3.424 5.013 -10.446) 12.082 10.050 ( -0.413 4.644 -0.820) 4.734 10.221 ( 10.081 0.629 6.030) 11.764 10.434 ( 3.074 -2.134 6.246) 7.281 10.772 ( 0.623 3.627 3.074) 4.795 10.996 ( 4.162 0.980 5.361) 6.858 11.230 ( 10.691 0.894 -5.459) 12.038 11.598 ( -4.719 -4.676 2.614) 7.139 11.693 ( 8.277 -4.272 0.628) 9.335 12.140 ( -8.224 -3.055 -8.168) 11.987 12.743 ( -14.333 -3.546 -2.735) 15.016 13.216 ( 0.994 -8.683 16.970) 19.088 13.565 ( 1.521 3.610 -6.144) 7.287 14.011 ( 13.534 2.477 -1.527) 13.843 14.896 ( -1.471 14.366 -2.786) 14.708 16.089 ( -12.788 -7.600 -12.374) 19.350 ======================= Grid point 783 (394/468) ======================= q-point: (-0.27 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 1.110 2.163 6.177) 6.638 2.587 ( -1.064 3.962 0.564) 4.141 3.237 ( 5.263 7.544 3.122) 9.713 3.757 ( -0.376 -7.289 3.153) 7.950 4.163 ( -3.523 -1.532 6.640) 7.672 4.392 ( 0.835 5.958 -11.967) 13.394 4.488 ( -3.853 -9.942 -0.209) 10.665 4.835 ( -1.948 4.215 -4.563) 6.510 5.218 ( -2.069 -3.063 -1.712) 4.074 5.613 ( -1.811 -2.395 -5.217) 6.019 5.964 ( 2.249 1.646 -1.585) 3.206 6.299 ( -3.117 0.356 -5.771) 6.569 6.448 ( 2.044 2.346 5.892) 6.664 6.718 ( 2.956 0.200 -0.525) 3.009 7.968 ( -2.463 -11.738 -3.146) 12.399 8.154 ( -3.559 1.779 0.810) 4.060 8.540 ( 1.657 6.299 4.651) 8.003 8.905 ( 3.715 -7.776 6.755) 10.950 9.158 ( -7.522 5.627 -12.365) 15.528 9.389 ( 1.430 -0.387 -4.679) 4.908 9.598 ( 1.121 1.283 10.045) 10.188 9.993 ( 2.011 7.373 -1.238) 7.742 10.370 ( 2.546 0.439 5.000) 5.628 10.579 ( 5.860 -1.049 5.199) 7.903 10.712 ( -3.429 3.142 -1.296) 4.828 11.124 ( 3.369 7.193 13.133) 15.348 11.362 ( 8.702 -9.025 -7.471) 14.594 11.575 ( -3.655 3.418 7.452) 8.976 11.809 ( -5.525 -7.180 1.121) 9.129 12.080 ( 14.750 -5.061 -6.882) 17.046 12.507 ( -16.290 0.644 -6.474) 17.541 13.218 ( -7.133 -1.495 -15.078) 16.747 13.752 ( 3.782 -5.449 24.543) 25.423 14.166 ( 15.367 2.761 0.699) 15.629 14.688 ( -6.567 15.812 0.302) 17.124 15.830 ( -8.261 -8.454 -19.284) 22.618 ======================= Grid point 784 (395/468) ======================= q-point: (-0.18 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 0.580 0.612 3.238) 3.346 2.549 ( -0.230 1.410 -1.348) 1.964 3.339 ( 7.784 4.806 7.433) 11.787 3.718 ( -5.325 -0.408 -8.354) 9.915 4.196 ( 2.098 5.690 3.552) 7.028 4.278 ( 1.111 6.724 -4.045) 7.925 4.555 ( -5.370 -15.876 2.044) 16.883 4.720 ( 2.005 2.278 -6.442) 7.122 5.202 ( -4.703 0.335 5.392) 7.163 5.548 ( 1.989 -1.357 -9.231) 9.540 5.977 ( -0.046 -2.176 3.336) 3.983 6.206 ( 0.109 -1.362 -6.322) 6.468 6.519 ( -0.043 3.188 6.482) 7.223 6.715 ( 1.744 3.335 -2.970) 4.794 7.947 ( -7.767 -3.182 1.079) 8.463 8.143 ( 6.379 -1.403 -7.749) 10.134 8.616 ( 0.011 -2.310 8.578) 8.883 8.942 ( -3.547 -0.367 -6.070) 7.039 9.069 ( 1.288 -5.775 4.234) 7.275 9.330 ( 2.573 -1.665 -7.462) 8.067 9.708 ( -3.520 6.095 10.612) 12.734 9.956 ( 6.140 7.432 -2.475) 9.953 10.431 ( -2.701 -3.579 5.352) 6.982 10.633 ( 1.049 -2.262 -3.619) 4.395 10.757 ( 5.727 0.097 7.574) 9.496 11.159 ( -6.724 4.330 -2.965) 8.529 11.395 ( 2.037 2.120 8.260) 8.768 11.678 ( 1.066 1.151 8.801) 8.940 11.794 ( -3.200 -3.639 0.788) 4.910 12.181 ( -13.988 3.993 -9.936) 17.616 12.350 ( 19.514 -8.650 0.102) 21.346 12.887 ( -6.367 1.506 -20.711) 21.720 14.105 ( -0.105 -3.390 18.187) 18.500 14.269 ( -5.519 4.941 2.393) 7.785 14.626 ( 9.798 6.023 12.048) 16.656 15.543 ( -2.525 -5.909 -25.472) 26.270 ======================= Grid point 785 (396/468) ======================= q-point: (-0.09 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 1.147 -0.807 2.526) 2.889 2.533 ( 2.883 0.755 -2.226) 3.720 3.441 ( -5.206 -0.079 -4.250) 6.721 3.544 ( 3.494 6.718 -0.017) 7.572 4.033 ( -11.244 12.933 -0.271) 17.139 4.276 ( 5.912 -0.305 -5.436) 8.037 4.647 ( -1.640 -9.356 3.024) 9.969 4.760 ( 8.347 -1.903 0.735) 8.592 5.240 ( -3.936 -0.501 9.469) 10.266 5.483 ( 4.624 -1.724 -7.062) 8.616 6.080 ( 1.569 -5.645 3.955) 7.069 6.169 ( 3.308 -1.688 -4.989) 6.219 6.545 ( -1.899 3.852 4.539) 6.249 6.633 ( -0.370 6.329 -4.335) 7.680 7.866 ( -9.384 0.766 2.753) 9.809 8.138 ( 4.959 -0.972 -6.380) 8.139 8.749 ( -2.168 -6.832 6.618) 9.756 8.918 ( 0.790 -3.830 0.299) 3.922 9.154 ( 2.946 -7.302 -1.358) 7.990 9.315 ( 3.424 -1.688 -4.425) 5.844 9.670 ( -5.325 7.930 4.682) 10.638 9.925 ( 6.945 10.046 -4.889) 13.155 10.522 ( -2.266 -6.370 5.764) 8.884 10.628 ( -0.935 -2.174 -1.760) 2.949 10.881 ( -7.552 -7.024 -5.585) 11.729 11.037 ( 9.254 3.232 6.236) 11.618 11.504 ( -5.911 7.703 13.680) 16.776 11.609 ( -7.990 8.742 -10.345) 15.725 11.806 ( -2.674 -5.473 4.366) 7.494 12.036 ( 4.035 2.940 6.124) 7.902 12.364 ( -13.258 -2.004 -17.198) 21.807 12.845 ( 24.489 -3.406 -0.031) 24.725 14.059 ( -18.961 4.820 2.951) 19.785 14.288 ( 0.547 1.108 7.840) 7.937 14.972 ( 6.639 -7.116 10.132) 14.049 15.277 ( 10.510 1.728 -19.098) 21.868 ======================= Grid point 789 (397/468) ======================= q-point: ( 0.27 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( 15.280 -0.000 -0.572) 15.291 2.409 ( -0.145 0.000 -2.966) 2.969 3.250 ( -0.683 0.000 7.017) 7.050 3.494 ( -7.219 0.000 9.770) 12.148 3.787 ( -6.110 0.000 -2.718) 6.687 4.112 ( -1.203 0.000 10.230) 10.301 5.124 ( -7.933 0.000 -7.942) 11.225 5.438 ( -15.123 0.000 -18.553) 23.935 5.508 ( 3.055 -0.000 6.022) 6.752 5.617 ( 14.213 -0.000 3.847) 14.724 5.982 ( 5.058 -0.000 0.363) 5.071 6.574 ( 3.436 -0.000 -0.038) 3.437 6.765 ( -9.820 0.000 2.614) 10.162 6.789 ( 5.007 -0.000 2.270) 5.498 7.727 ( -3.411 0.000 3.685) 5.022 7.831 ( -10.049 0.000 1.454) 10.154 8.639 ( -4.110 0.000 3.720) 5.543 8.700 ( -1.543 0.000 3.212) 3.563 9.097 ( 1.243 -0.000 -7.891) 7.988 9.310 ( 7.575 -0.000 3.048) 8.165 9.721 ( -0.212 0.000 3.408) 3.414 10.011 ( 4.367 -0.000 -0.134) 4.369 10.260 ( -1.475 0.000 -2.686) 3.065 10.405 ( -0.917 0.000 0.202) 0.939 10.472 ( 1.916 -0.000 8.048) 8.273 10.747 ( -1.320 0.000 -1.745) 2.188 10.923 ( 8.287 -0.000 -5.878) 10.160 11.633 ( -0.470 0.000 1.251) 1.337 11.756 ( 2.899 -0.000 -2.946) 4.133 12.617 ( -10.174 0.000 -4.681) 11.199 12.789 ( -0.606 0.000 -6.890) 6.917 13.368 ( -0.013 0.000 -1.397) 1.397 13.599 ( -0.285 0.000 -5.293) 5.301 13.750 ( 6.065 -0.000 -0.176) 6.067 14.832 ( 13.586 -0.000 -0.353) 13.590 16.596 ( -7.860 0.000 8.208) 11.365 ======================= Grid point 790 (398/468) ======================= q-point: ( 0.36 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 13.298 5.788 6.980) 16.096 2.416 ( 5.146 -4.231 0.381) 6.673 3.300 ( -3.072 3.448 6.618) 8.070 3.509 ( -4.329 3.410 6.654) 8.640 3.720 ( -10.112 -7.271 2.264) 12.659 4.271 ( 5.387 -11.484 3.211) 13.085 4.906 ( -6.927 8.008 -5.710) 12.029 5.078 ( -10.635 -6.992 -15.164) 19.797 5.545 ( -2.475 6.059 3.707) 7.521 5.825 ( 11.231 -2.396 -1.334) 11.561 6.044 ( 4.825 2.612 1.050) 5.586 6.539 ( -2.108 9.097 -6.080) 11.143 6.617 ( -7.241 2.140 0.891) 7.603 6.760 ( -5.891 -2.685 -4.006) 7.613 7.716 ( -5.758 0.255 0.377) 5.776 7.871 ( -1.075 -10.884 10.566) 15.207 8.628 ( -3.712 0.946 2.189) 4.412 8.740 ( 0.866 2.253 4.622) 5.214 9.060 ( 2.881 -0.310 -2.376) 3.747 9.486 ( 7.036 2.953 10.524) 13.000 9.778 ( 2.550 -3.739 2.154) 5.013 10.011 ( 0.643 -1.060 -6.629) 6.744 10.220 ( 3.348 4.724 2.336) 6.244 10.373 ( -2.101 1.255 -2.736) 3.671 10.668 ( 4.516 1.855 9.144) 10.366 10.758 ( 3.746 -3.712 0.669) 5.316 10.982 ( 8.919 -4.885 -3.325) 10.699 11.605 ( -1.304 7.969 -2.797) 8.545 11.705 ( -1.417 -3.282 -2.745) 4.507 12.464 ( -7.302 -0.459 -4.759) 8.728 12.713 ( -2.960 -1.320 -1.093) 3.420 13.145 ( -11.637 -0.802 -9.513) 15.052 13.686 ( 8.777 2.423 0.278) 9.109 13.828 ( 8.925 -1.079 -3.140) 9.523 14.989 ( 11.549 -0.258 -0.463) 11.561 16.519 ( -14.800 0.627 2.709) 15.059 ======================= Grid point 791 (399/468) ======================= q-point: ( 0.45 0.27 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( 1.587 5.195 4.115) 6.815 2.642 ( 13.902 1.646 4.509) 14.707 3.310 ( -4.042 2.268 8.508) 9.689 3.483 ( -3.655 0.788 -0.391) 3.759 3.700 ( -14.381 -10.196 7.656) 19.219 4.467 ( 5.045 -9.423 -1.327) 10.770 4.770 ( 4.646 -2.254 -6.504) 8.305 4.904 ( -4.630 -4.959 -6.022) 9.071 5.407 ( -12.265 8.467 -1.475) 14.976 5.853 ( 7.076 7.016 -8.243) 12.932 6.081 ( 1.697 4.181 2.735) 5.276 6.384 ( -0.129 2.613 -4.398) 5.118 6.506 ( -4.483 3.652 -2.245) 6.203 6.692 ( -4.889 -4.940 -1.424) 7.095 7.670 ( -4.112 -4.505 0.027) 6.100 8.113 ( -0.993 -9.796 13.405) 16.633 8.576 ( -4.694 0.219 -0.540) 4.730 8.774 ( 2.794 7.272 2.917) 8.318 9.112 ( 3.263 -1.368 3.120) 4.717 9.615 ( -1.435 4.318 8.201) 9.379 9.940 ( 7.642 -0.908 -4.474) 8.902 9.946 ( 4.301 -2.079 0.998) 4.881 10.222 ( 0.882 7.202 -1.687) 7.449 10.311 ( 2.497 2.262 0.514) 3.409 10.754 ( 4.099 2.327 3.954) 6.152 10.844 ( 6.917 -4.547 -5.412) 9.890 11.184 ( 4.921 -11.754 6.501) 14.305 11.432 ( -2.766 6.972 -6.242) 9.758 11.728 ( 1.023 2.781 3.606) 4.668 12.292 ( -9.468 -1.307 -6.826) 11.745 12.710 ( -6.592 -5.898 3.263) 9.428 12.971 ( -5.830 -1.898 0.097) 6.132 13.720 ( 5.770 4.252 -4.878) 8.669 13.915 ( 10.893 -0.877 -3.789) 11.567 15.095 ( 10.133 2.593 -3.343) 10.981 16.295 ( -19.869 -0.371 -2.889) 20.081 ======================= Grid point 792 (400/468) ======================= q-point: (-0.45 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 1.889 4.237 3.787) 5.989 2.729 ( 2.708 5.318 -2.112) 6.330 3.384 ( 3.640 7.590 2.262) 8.716 3.457 ( -5.389 -7.911 8.740) 12.962 3.751 ( -12.956 -17.625 10.208) 24.139 4.525 ( 5.240 3.117 -0.391) 6.110 4.684 ( -4.066 -1.284 -12.702) 13.398 4.985 ( 6.744 -11.242 -3.586) 13.592 5.137 ( -7.299 10.138 -2.300) 12.702 5.740 ( -0.575 5.714 -6.603) 8.751 6.068 ( 2.178 6.323 -0.744) 6.729 6.347 ( 1.195 -1.496 -4.041) 4.471 6.446 ( 0.715 1.848 0.370) 2.016 6.665 ( -4.103 -4.061 0.070) 5.773 7.697 ( -1.955 -8.085 1.479) 8.449 8.257 ( -10.363 -1.787 9.071) 13.888 8.574 ( 3.982 -5.433 1.752) 6.960 8.757 ( 3.849 11.450 1.200) 12.139 9.227 ( 1.390 -3.508 6.442) 7.466 9.617 ( -1.324 5.444 1.419) 5.780 9.714 ( -3.692 7.519 -17.255) 19.181 10.079 ( -1.074 -0.624 1.785) 2.175 10.271 ( 11.822 4.343 5.037) 13.565 10.396 ( 4.302 -0.553 6.019) 7.419 10.834 ( 4.113 2.752 1.132) 5.076 10.943 ( 4.641 -6.336 4.753) 9.181 11.247 ( 1.227 -0.601 -8.596) 8.704 11.444 ( 2.119 -7.257 6.752) 10.136 11.743 ( 1.539 5.301 2.239) 5.957 12.101 ( -6.868 -1.571 -8.158) 10.779 12.651 ( -14.343 -6.366 -0.491) 15.700 13.086 ( 1.654 -6.313 13.257) 14.776 13.647 ( 2.867 5.438 -6.944) 9.274 14.033 ( 13.208 0.040 -1.720) 13.320 15.094 ( 6.176 8.581 -6.216) 12.264 15.986 ( -20.006 -4.178 -8.411) 22.101 ======================= Grid point 793 (401/468) ======================= q-point: (-0.36 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 2.144 2.530 2.683) 4.266 2.644 ( -2.272 2.439 -3.924) 5.148 3.359 ( 0.590 6.485 3.189) 7.251 3.615 ( -0.514 -8.734 6.116) 10.675 3.940 ( -7.108 -19.021 13.483) 24.375 4.425 ( -5.197 3.606 -12.370) 13.894 4.559 ( 5.674 7.274 -1.100) 9.291 4.915 ( -2.115 3.125 -6.625) 7.624 5.162 ( 6.192 -2.099 -0.460) 6.554 5.597 ( -3.927 1.397 -5.722) 7.079 6.033 ( 3.663 5.806 -2.558) 7.326 6.291 ( -1.862 -0.898 -6.256) 6.588 6.487 ( 2.530 1.256 4.058) 4.944 6.675 ( -1.674 -5.021 1.016) 5.390 7.782 ( -0.648 -8.573 2.686) 9.008 8.184 ( -7.902 1.588 2.175) 8.348 8.686 ( 3.543 7.378 -0.090) 8.185 8.795 ( 5.932 -2.770 7.500) 9.956 9.271 ( -8.970 5.548 -6.306) 12.288 9.380 ( 1.958 1.632 -8.094) 8.486 9.626 ( 1.058 1.638 3.738) 4.216 10.065 ( -2.504 0.345 0.181) 2.534 10.402 ( 6.383 3.168 2.041) 7.412 10.547 ( 4.357 -2.050 6.091) 7.765 10.788 ( -5.202 6.034 -0.351) 7.975 11.173 ( 6.373 -4.670 11.809) 14.208 11.235 ( 4.952 -2.638 -3.779) 6.765 11.577 ( -1.202 -5.645 5.342) 7.864 11.748 ( -0.466 2.508 1.231) 2.832 12.013 ( 7.733 -2.559 -5.052) 9.585 12.471 ( -17.009 -4.222 -3.957) 17.966 13.203 ( -1.305 -1.088 -9.686) 9.834 13.687 ( 3.811 -1.518 16.503) 17.005 14.195 ( 13.389 0.499 0.885) 13.427 14.946 ( -2.933 13.945 -4.358) 14.902 15.687 ( -11.734 -7.959 -15.531) 21.030 ======================= Grid point 794 (402/468) ======================= q-point: (-0.27 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 1.525 1.280 1.536) 2.515 2.563 ( -1.403 0.151 -3.194) 3.492 3.389 ( -0.560 1.171 6.423) 6.553 3.695 ( 1.050 -2.563 -3.390) 4.378 4.169 ( -2.987 -9.294 10.097) 14.044 4.285 ( -2.587 -8.171 0.190) 8.573 4.506 ( 3.602 12.498 -4.355) 13.716 4.769 ( 1.300 3.701 -10.480) 11.190 5.227 ( 0.162 2.727 4.673) 5.413 5.503 ( 0.995 -3.109 -7.317) 8.012 5.996 ( -0.072 4.045 0.683) 4.103 6.190 ( 0.224 -0.579 -7.537) 7.563 6.562 ( -0.037 1.293 6.011) 6.149 6.708 ( -0.142 -4.107 -1.210) 4.284 7.878 ( -0.814 -3.916 4.836) 6.275 8.125 ( 0.422 -0.566 -4.120) 4.180 8.654 ( -0.621 5.923 3.207) 6.764 8.952 ( 2.986 -0.848 -8.199) 8.767 9.020 ( -2.359 3.072 4.598) 6.012 9.316 ( -0.299 -0.099 -6.713) 6.720 9.753 ( 0.967 -1.128 10.908) 11.009 10.018 ( -2.791 -0.254 -1.664) 3.259 10.444 ( 1.886 3.851 1.731) 4.624 10.602 ( -0.436 -0.343 -5.080) 5.110 10.746 ( -1.355 -0.909 8.655) 8.808 11.176 ( 0.941 -0.638 -11.669) 11.725 11.457 ( -1.901 1.557 21.942) 22.079 11.702 ( 5.228 -3.321 5.150) 8.054 11.716 ( -2.875 0.699 1.273) 3.221 12.206 ( -14.063 -3.266 7.545) 16.290 12.216 ( 14.738 -4.251 -13.586) 20.490 12.941 ( -0.454 4.604 -21.707) 22.194 14.028 ( 1.777 -5.196 20.940) 21.648 14.327 ( 1.936 1.617 1.112) 2.757 14.761 ( -4.695 9.208 5.204) 11.572 15.442 ( 1.497 -5.494 -22.384) 23.097 ======================= Grid point 795 (403/468) ======================= q-point: (-0.18 -0.73 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -0.094 -0.082 1.471) 1.476 2.534 ( 2.076 -0.661 -2.173) 3.077 3.426 ( -7.100 -1.613 2.217) 7.611 3.647 ( 5.374 4.882 -3.545) 8.080 4.240 ( -5.869 1.373 -1.336) 6.174 4.325 ( -1.963 14.079 0.340) 14.219 4.447 ( 1.159 -13.342 5.258) 14.387 4.718 ( 10.698 -2.202 -5.720) 12.330 5.236 ( -5.536 0.372 5.241) 7.633 5.473 ( 5.227 0.228 -5.918) 7.899 6.005 ( -1.201 -2.601 2.493) 3.798 6.153 ( 6.057 -0.051 -4.093) 7.311 6.588 ( -4.392 0.750 3.764) 5.833 6.705 ( 0.962 1.473 -2.076) 2.721 7.899 ( -5.068 3.188 2.387) 6.446 8.112 ( 5.216 -1.957 -4.049) 6.886 8.659 ( -4.157 -2.949 3.956) 6.452 8.888 ( 6.473 0.647 -2.950) 7.143 9.071 ( -3.666 -1.909 0.881) 4.226 9.283 ( 6.099 -1.635 -3.751) 7.344 9.791 ( -9.354 5.138 5.239) 11.889 10.017 ( 3.265 -0.792 -1.262) 3.589 10.456 ( -0.669 -0.068 4.042) 4.097 10.573 ( 3.036 -2.959 -3.792) 5.688 10.801 ( -9.100 -2.864 1.119) 9.606 11.100 ( 10.598 3.767 -2.344) 11.489 11.572 ( -18.908 -3.478 12.574) 22.972 11.694 ( -2.626 2.750 2.951) 4.814 11.776 ( -0.719 3.117 -6.736) 7.457 12.079 ( 5.950 2.210 8.865) 10.903 12.330 ( -5.429 -2.173 -11.688) 13.069 12.801 ( 20.942 -0.885 -6.729) 22.015 14.147 ( -16.646 4.733 1.402) 17.362 14.294 ( -1.346 -0.440 9.590) 9.694 14.833 ( -3.543 -8.687 3.308) 9.947 15.323 ( 19.203 3.706 -12.484) 23.203 ======================= Grid point 796 (404/468) ======================= q-point: (-0.09 -0.73 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.517 ( 1.631 -2.262 -0.504) 2.834 2.550 ( 1.060 0.084 -0.448) 1.154 3.272 ( -5.124 5.623 -8.782) 11.619 3.675 ( -2.782 3.181 6.779) 7.988 3.987 ( -13.382 12.273 1.771) 18.244 4.284 ( 5.963 3.073 -5.235) 8.509 4.635 ( 2.868 -8.218 4.298) 9.707 4.877 ( 10.815 -4.834 1.638) 11.959 5.248 ( -3.899 -7.102 3.305) 8.750 5.513 ( 7.765 1.605 1.401) 8.052 6.038 ( 1.235 -5.931 -3.411) 6.953 6.238 ( 7.665 0.552 2.685) 8.141 6.542 ( -4.555 -0.069 -1.578) 4.821 6.647 ( -0.510 7.295 -0.903) 7.369 7.825 ( -6.432 2.143 3.593) 7.673 8.142 ( 1.398 2.680 0.909) 3.157 8.698 ( -0.233 -7.874 -0.965) 7.936 8.939 ( -5.301 0.857 5.341) 7.573 9.084 ( 7.408 -8.742 -5.676) 12.788 9.342 ( 5.424 1.101 -0.590) 5.566 9.678 ( -7.178 2.737 1.804) 7.891 9.985 ( 2.907 5.787 -5.742) 8.655 10.508 ( -2.975 -4.526 -0.339) 5.427 10.618 ( 2.601 1.312 3.950) 4.908 10.651 ( -4.872 -2.168 -8.317) 9.880 11.250 ( 1.318 0.175 -0.824) 1.564 11.316 ( -12.550 3.046 -2.991) 13.256 11.643 ( -10.794 4.790 6.577) 13.517 11.790 ( 3.788 -7.367 3.381) 8.947 12.022 ( -4.107 3.610 -17.020) 17.877 12.343 ( 10.783 6.344 16.498) 20.705 13.117 ( 19.309 -5.957 4.200) 20.639 13.870 ( -21.753 4.313 1.823) 22.251 14.325 ( -1.615 -1.956 -4.688) 5.330 14.777 ( 0.668 -4.948 -13.469) 14.364 15.577 ( 19.537 2.419 11.940) 23.024 ======================= Grid point 801 (405/468) ======================= q-point: ( 0.36 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 2.256 -0.000 1.421) 2.666 2.646 ( 15.318 -0.000 6.981) 16.834 3.300 ( -6.021 0.000 2.226) 6.419 3.562 ( -14.758 0.000 13.774) 20.187 3.586 ( -4.945 0.000 -1.067) 5.059 4.346 ( 12.032 -0.000 0.172) 12.034 4.775 ( -0.429 0.000 -12.246) 12.253 4.853 ( -5.128 0.000 0.189) 5.131 5.480 ( -12.391 0.000 -1.844) 12.528 5.910 ( 10.968 -0.000 -8.252) 13.726 6.125 ( 3.445 -0.000 1.482) 3.750 6.459 ( -6.784 0.000 -3.397) 7.587 6.559 ( -7.729 0.000 -5.546) 9.513 6.578 ( -0.469 0.000 -2.335) 2.381 7.642 ( -6.684 0.000 1.809) 6.925 8.014 ( 2.631 -0.000 14.683) 14.917 8.579 ( -5.461 0.000 -1.029) 5.557 8.832 ( 0.806 -0.000 5.962) 6.016 9.116 ( 6.401 -0.000 1.046) 6.486 9.641 ( -4.441 0.000 7.385) 8.617 9.920 ( 13.686 -0.000 6.859) 15.309 9.929 ( 0.226 -0.000 -5.903) 5.908 10.320 ( -0.186 0.000 -3.179) 3.184 10.336 ( 6.416 -0.000 0.315) 6.423 10.760 ( 0.489 -0.000 0.441) 0.658 10.794 ( 7.771 -0.000 -3.881) 8.686 11.077 ( 5.093 -0.000 6.950) 8.616 11.498 ( -5.135 0.000 -6.175) 8.031 11.752 ( 2.415 -0.000 5.224) 5.755 12.281 ( -9.253 0.000 -7.082) 11.652 12.656 ( -6.788 0.000 1.480) 6.948 12.954 ( -5.911 0.000 -0.463) 5.929 13.764 ( 5.923 -0.000 -4.698) 7.560 13.899 ( 11.465 -0.000 -4.144) 12.191 15.115 ( 12.390 -0.000 -3.768) 12.950 16.295 ( -21.926 0.000 -1.853) 22.004 ======================= Grid point 802 (406/468) ======================= q-point: ( 0.45 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.462 ( 3.232 2.675 1.516) 4.461 2.784 ( 4.072 1.287 -6.024) 7.384 3.319 ( -2.459 -4.911 9.670) 11.121 3.518 ( -2.257 4.669 1.792) 5.487 3.538 ( -17.103 -6.370 11.120) 21.371 4.525 ( 8.591 -1.733 2.968) 9.253 4.698 ( 4.050 2.517 -8.056) 9.362 4.826 ( 1.515 -6.350 -3.003) 7.186 5.260 ( -9.594 3.695 -4.532) 11.236 5.851 ( 4.627 5.011 -12.703) 14.418 6.157 ( 0.742 3.350 1.607) 3.788 6.343 ( -2.407 0.933 -3.487) 4.338 6.457 ( -1.641 -0.235 -1.063) 1.969 6.569 ( -2.518 -5.352 -1.349) 6.067 7.620 ( -3.347 -1.541 4.141) 5.543 8.219 ( -4.104 -1.835 13.323) 14.061 8.515 ( 0.923 -1.539 -0.927) 2.020 8.891 ( 1.087 3.484 3.483) 5.045 9.220 ( 5.766 1.796 4.030) 7.260 9.638 ( -4.577 -1.176 2.052) 5.152 9.817 ( -2.262 3.119 -12.126) 12.723 10.060 ( -0.099 -0.936 -2.580) 2.746 10.361 ( 7.480 6.132 4.098) 10.505 10.421 ( 9.933 1.191 3.955) 10.758 10.807 ( 2.127 -6.175 2.099) 6.860 10.857 ( 7.519 -0.959 0.000) 7.580 11.213 ( 1.617 -1.414 3.335) 3.967 11.390 ( -6.384 -0.719 2.043) 6.741 11.821 ( 3.910 2.883 1.087) 4.978 12.084 ( -5.786 -0.438 -8.342) 10.161 12.560 ( -14.222 -3.368 1.197) 14.664 13.010 ( 1.942 -2.350 10.481) 10.916 13.726 ( 3.349 2.943 -7.485) 8.712 14.020 ( 12.879 -0.900 -1.541) 13.002 15.188 ( 12.993 2.623 -8.680) 15.845 15.944 ( -26.408 -1.014 -5.511) 26.996 ======================= Grid point 803 (407/468) ======================= q-point: ( 0.55 0.36 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 3.110 3.332 0.442) 4.579 2.668 ( -2.865 0.537 -7.867) 8.389 3.430 ( -11.591 0.315 6.025) 13.067 3.486 ( 4.485 -5.531 2.833) 7.663 3.662 ( -2.952 -10.786 14.956) 18.675 4.494 ( -10.797 3.749 -6.889) 13.345 4.661 ( 8.005 5.221 0.583) 9.575 4.880 ( 4.122 -6.214 -7.962) 10.909 5.178 ( 6.867 2.467 -0.695) 7.330 5.671 ( -2.063 6.394 -9.459) 11.602 6.137 ( 2.598 5.636 -1.433) 6.369 6.272 ( -2.716 -1.495 -4.682) 5.615 6.478 ( 2.582 -2.063 1.001) 3.453 6.571 ( -4.067 -5.846 1.022) 7.194 7.690 ( 0.609 -2.623 6.581) 7.111 8.206 ( -9.449 0.960 2.731) 9.883 8.673 ( 9.035 -3.154 7.207) 11.980 8.888 ( 1.391 6.577 1.437) 6.875 9.311 ( 0.457 2.541 5.658) 6.219 9.500 ( -4.423 9.101 -18.253) 20.870 9.625 ( -1.599 -2.196 -0.364) 2.741 10.011 ( -4.042 -5.530 -3.895) 7.880 10.449 ( 2.831 1.650 5.355) 6.278 10.551 ( 5.741 2.732 1.817) 6.613 10.897 ( -0.968 5.477 2.151) 5.963 11.052 ( 11.779 -6.514 5.025) 14.368 11.218 ( -1.760 -0.050 6.453) 6.689 11.435 ( -4.494 -9.496 5.054) 11.658 11.837 ( 5.714 6.083 -2.592) 8.739 11.986 ( 4.665 -1.200 -4.282) 6.445 12.390 ( -18.888 -4.430 -0.106) 19.401 13.171 ( 3.528 -2.169 -2.047) 4.620 13.697 ( 2.734 1.907 6.614) 7.407 14.186 ( 11.647 -1.230 1.226) 11.776 15.151 ( 5.925 9.747 -9.559) 14.882 15.565 ( -19.982 -6.112 -10.438) 23.358 ======================= Grid point 804 (408/468) ======================= q-point: (-0.36 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 2.170 2.012 -0.484) 2.999 2.557 ( -2.461 -0.684 -4.396) 5.085 3.379 ( -9.921 -2.309 6.876) 12.290 3.624 ( 6.961 -5.543 -0.710) 8.927 3.943 ( 2.115 -11.914 13.456) 18.097 4.255 ( -7.968 0.996 -5.523) 9.746 4.676 ( 3.244 7.261 -1.244) 8.050 4.828 ( 3.118 2.123 -9.711) 10.418 5.288 ( 8.545 3.276 2.981) 9.624 5.481 ( -3.834 1.917 -7.621) 8.744 6.092 ( -0.098 6.380 -0.948) 6.451 6.183 ( 0.006 -0.430 -6.295) 6.310 6.555 ( 0.850 -2.058 3.105) 3.821 6.597 ( -2.351 -7.718 0.782) 8.106 7.832 ( 3.878 -1.435 8.343) 9.311 8.119 ( -3.833 -0.199 -2.201) 4.424 8.781 ( 0.035 7.714 1.075) 7.788 8.938 ( 5.716 0.544 2.420) 6.231 9.151 ( -3.548 10.288 -6.205) 12.527 9.321 ( -2.439 0.699 -3.852) 4.612 9.691 ( 2.484 -5.339 5.601) 8.127 9.950 ( -6.401 -7.185 -4.682) 10.701 10.515 ( 3.011 3.649 3.031) 5.619 10.608 ( 0.996 -0.136 0.447) 1.100 10.778 ( -10.431 5.869 4.952) 12.953 11.165 ( 9.611 -0.607 -9.417) 13.469 11.398 ( -11.487 -6.926 16.207) 21.038 11.590 ( 11.225 -7.758 5.956) 14.888 11.808 ( 3.622 6.924 -1.181) 7.903 12.122 ( 13.997 -4.075 0.035) 14.578 12.179 ( -19.253 -2.151 1.913) 19.467 13.025 ( 3.620 4.606 -21.187) 21.982 13.946 ( 2.766 -3.883 20.210) 20.765 14.325 ( 4.745 -1.519 0.303) 4.992 14.916 ( -18.062 8.231 0.245) 19.851 15.364 ( 9.656 -3.605 -18.366) 21.060 ======================= Grid point 805 (409/468) ======================= q-point: (-0.27 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.490 ( -1.462 -0.257 -0.947) 1.760 2.516 ( 0.985 -1.038 -0.937) 1.710 3.383 ( -8.982 -3.628 7.224) 12.084 3.696 ( 7.346 0.547 -5.675) 9.299 4.189 ( -1.678 -5.015 3.022) 6.091 4.226 ( 2.928 -10.872 6.762) 13.133 4.593 ( -0.145 13.584 -2.422) 13.799 4.713 ( 4.620 1.976 -8.155) 9.579 5.261 ( -6.821 2.537 -1.683) 7.470 5.475 ( 8.793 -0.230 -1.090) 8.863 6.003 ( -4.413 2.337 -0.550) 5.024 6.167 ( 6.628 1.593 -2.531) 7.272 6.565 ( -6.093 -3.265 1.498) 7.073 6.679 ( 2.846 -4.209 1.436) 5.280 7.964 ( 0.575 3.714 2.332) 4.422 8.077 ( 4.889 -1.994 -1.603) 5.518 8.672 ( -8.316 4.817 1.597) 9.742 8.926 ( 8.042 3.242 -5.344) 10.186 9.098 ( -5.725 4.828 1.676) 7.675 9.270 ( 5.900 0.084 -1.084) 5.999 9.812 ( -9.069 -3.067 1.228) 9.652 9.918 ( 1.905 -8.986 3.585) 9.860 10.502 ( -4.060 4.829 -2.233) 6.692 10.575 ( 4.247 2.712 0.803) 5.103 10.755 ( -8.989 -2.825 6.081) 11.214 11.159 ( 11.373 2.635 -7.578) 13.918 11.435 ( -16.628 -9.102 8.723) 20.867 11.743 ( -3.960 1.302 -0.289) 4.179 11.812 ( -0.112 0.198 -2.295) 2.306 12.107 ( 10.850 0.695 3.684) 11.479 12.296 ( -3.435 -0.935 4.850) 6.017 12.828 ( 16.236 3.647 -15.037) 22.428 14.184 ( -6.162 -0.940 5.852) 8.550 14.290 ( -6.174 0.163 2.398) 6.626 14.700 ( -15.874 -6.086 3.074) 17.276 15.398 ( 24.728 4.654 -9.515) 26.901 ======================= Grid point 806 (410/468) ======================= q-point: (-0.18 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.473 ( -1.101 -2.597 -0.687) 2.903 2.543 ( 0.088 -1.022 1.620) 1.918 3.348 ( -5.516 2.737 -0.200) 6.161 3.705 ( 0.570 0.634 0.685) 1.094 4.166 ( -7.881 5.567 0.652) 9.671 4.377 ( 0.988 3.107 -4.539) 5.589 4.460 ( 5.340 -4.623 1.957) 7.329 4.804 ( 9.265 -3.329 3.415) 10.421 5.160 ( -4.356 -3.038 -2.553) 5.893 5.568 ( 7.300 3.650 3.035) 8.708 5.956 ( -0.642 -2.830 -2.574) 3.879 6.242 ( 6.784 0.197 1.676) 6.991 6.519 ( -5.812 -2.431 -0.309) 6.307 6.733 ( 1.797 1.772 -0.192) 2.530 7.869 ( -3.035 2.900 -3.296) 5.337 8.199 ( 5.929 3.728 5.404) 8.846 8.596 ( -4.746 -2.986 1.046) 5.704 8.952 ( -5.445 -2.697 -6.357) 8.794 9.012 ( 7.473 3.433 3.740) 9.035 9.363 ( 6.519 1.643 1.361) 6.859 9.685 ( -10.219 -1.931 -0.701) 10.424 10.038 ( 0.594 0.080 1.307) 1.438 10.420 ( -2.162 -3.680 -2.547) 4.971 10.625 ( 1.438 0.278 -1.584) 2.157 10.686 ( -5.322 3.512 3.706) 7.375 11.200 ( -3.086 -6.149 -4.697) 8.330 11.351 ( -7.384 1.247 -0.678) 7.520 11.692 ( -0.531 -2.918 -0.564) 3.019 11.725 ( -6.161 4.052 3.304) 8.080 12.079 ( 1.364 2.036 -18.208) 18.372 12.443 ( 9.310 5.525 18.867) 21.752 13.023 ( 19.659 -4.516 1.498) 20.226 13.948 ( -22.369 4.445 0.768) 22.819 14.252 ( -2.463 -6.211 -12.776) 14.418 14.690 ( -4.067 -5.031 5.039) 8.201 15.643 ( 23.894 5.027 4.652) 24.856 ======================= Grid point 807 (411/468) ======================= q-point: (-0.09 -0.64 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.472 ( -0.278 -2.055 -4.733) 5.167 2.543 ( -4.524 -0.264 2.389) 5.123 3.208 ( -1.407 8.305 -5.644) 10.140 3.676 ( -7.088 2.194 1.883) 7.655 4.006 ( -11.724 10.891 9.820) 18.775 4.353 ( 8.277 1.994 -1.579) 8.659 4.648 ( 3.920 -10.311 2.130) 11.235 4.964 ( 6.230 -2.055 1.571) 6.745 5.175 ( 0.270 -10.285 1.730) 10.433 5.690 ( 7.412 3.804 6.040) 10.290 5.951 ( 1.321 -5.426 -5.408) 7.773 6.361 ( 5.639 -2.897 3.151) 7.079 6.455 ( -2.334 0.330 -3.470) 4.195 6.694 ( 1.195 6.701 -1.623) 6.998 7.818 ( -4.512 0.140 4.540) 6.402 8.247 ( -0.056 9.055 5.353) 10.519 8.623 ( 2.215 -6.407 -1.832) 7.022 8.830 ( -8.667 -4.858 -3.338) 10.482 9.114 ( 1.656 0.802 1.905) 2.648 9.432 ( 6.991 1.980 0.582) 7.290 9.630 ( -1.304 -1.621 1.260) 2.432 9.984 ( -0.132 4.455 -3.268) 5.527 10.379 ( -3.856 -4.244 -6.727) 8.840 10.512 ( -4.623 2.505 -5.368) 7.514 10.714 ( -3.386 0.801 3.096) 4.658 11.060 ( -5.243 1.582 -2.064) 5.852 11.225 ( -5.157 -2.617 -10.567) 12.046 11.568 ( -10.007 3.198 0.377) 10.512 11.828 ( 5.666 0.717 -6.709) 8.811 12.019 ( 9.843 -3.048 10.154) 14.467 12.724 ( 9.814 5.256 13.323) 17.362 13.303 ( 7.509 -5.326 5.659) 10.806 13.646 ( -17.616 2.491 -2.646) 17.986 14.080 ( -0.586 -8.409 -18.709) 20.520 14.735 ( 0.967 2.255 2.268) 3.341 15.974 ( 17.192 2.534 11.080) 20.609 ======================= Grid point 813 (412/468) ======================= q-point: ( 0.45 0.45 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.524 ( 3.166 -0.000 -0.333) 3.184 2.670 ( -2.702 0.000 -9.522) 9.898 3.415 ( -17.102 0.000 9.108) 19.376 3.419 ( 4.646 -0.000 3.942) 6.093 3.596 ( 0.851 -0.000 10.781) 10.814 4.530 ( -14.309 0.000 -1.394) 14.376 4.756 ( 9.435 -0.000 -5.010) 10.683 4.765 ( 8.512 -0.000 -3.574) 9.232 5.202 ( 5.691 -0.000 -2.465) 6.202 5.745 ( 0.599 -0.000 -12.617) 12.631 6.194 ( 1.062 -0.000 0.216) 1.084 6.249 ( -5.879 0.000 -2.072) 6.233 6.451 ( 0.944 -0.000 0.385) 1.019 6.517 ( -0.495 0.000 -1.265) 1.358 7.672 ( 0.501 -0.000 7.918) 7.934 8.215 ( -9.793 0.000 2.828) 10.193 8.644 ( 10.506 -0.000 9.152) 13.933 8.940 ( -0.555 0.000 1.788) 1.872 9.361 ( 6.346 -0.000 3.536) 7.265 9.566 ( -4.972 0.000 -2.429) 5.534 9.616 ( -6.116 0.000 -14.159) 15.423 9.942 ( -4.110 0.000 -7.548) 8.595 10.466 ( 2.067 -0.000 4.671) 5.108 10.584 ( 3.273 -0.000 1.166) 3.475 10.939 ( 4.784 -0.000 1.030) 4.893 10.995 ( 17.061 -0.000 10.680) 20.128 11.270 ( -18.965 0.000 7.822) 20.515 11.292 ( 3.622 -0.000 2.252) 4.265 11.909 ( 10.524 -0.000 -2.846) 10.902 11.964 ( 2.410 -0.000 -6.641) 7.065 12.347 ( -20.896 0.000 2.915) 21.098 13.149 ( 5.362 -0.000 0.649) 5.401 13.720 ( 2.299 -0.000 2.797) 3.621 14.172 ( 10.955 -0.000 1.522) 11.060 15.247 ( 17.412 -0.000 -14.076) 22.390 15.502 ( -31.173 0.000 -5.853) 31.717 ======================= Grid point 814 (413/468) ======================= q-point: (-0.45 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( 1.396 1.417 -1.966) 2.796 2.547 ( -2.451 -0.415 -4.757) 5.367 3.332 ( -14.130 -2.076 7.867) 16.306 3.531 ( 8.139 -3.936 -0.328) 9.047 3.817 ( 6.162 -3.145 13.815) 15.450 4.277 ( -11.567 1.025 -7.644) 13.902 4.771 ( 2.919 4.269 -1.193) 5.307 4.827 ( 4.993 -2.003 -5.156) 7.451 5.311 ( 11.631 0.105 0.586) 11.646 5.557 ( -3.915 4.318 -10.840) 12.308 6.161 ( -6.082 -0.379 -1.104) 6.193 6.196 ( 3.311 3.259 -1.367) 4.843 6.486 ( 0.881 -3.733 0.606) 3.883 6.511 ( -0.730 -2.410 0.076) 2.519 7.821 ( 4.849 -0.169 9.999) 11.114 8.117 ( -5.733 -0.067 -1.780) 6.003 8.887 ( 6.062 4.612 6.112) 9.766 8.950 ( 2.575 -0.574 3.777) 4.607 9.299 ( -5.317 3.984 -11.973) 13.692 9.385 ( -3.513 8.485 -2.754) 9.587 9.579 ( 1.611 -7.662 3.186) 8.453 9.820 ( -5.086 -5.799 -6.942) 10.377 10.549 ( 0.652 0.620 5.872) 5.940 10.610 ( 0.173 0.306 1.503) 1.543 10.917 ( -9.854 8.843 2.926) 13.559 11.114 ( -5.318 -6.608 -0.675) 8.509 11.334 ( 4.082 2.423 6.100) 7.730 11.445 ( 14.550 -8.640 4.006) 17.389 11.920 ( 3.546 5.549 -3.895) 7.651 12.049 ( 13.113 -4.280 -5.124) 14.715 12.159 ( -21.136 -0.332 14.515) 25.642 13.081 ( 6.398 1.753 -19.787) 20.869 13.903 ( 2.708 -1.169 18.045) 18.284 14.295 ( 4.710 -1.306 -0.018) 4.887 15.021 ( -30.579 3.543 -2.777) 30.908 15.320 ( 20.884 -1.464 -15.103) 25.815 ======================= Grid point 816 (414/468) ======================= q-point: (-0.36 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -2.537 -0.227 -1.444) 2.928 2.508 ( -0.376 -0.101 -0.954) 1.031 3.306 ( -10.793 -4.719 8.285) 14.401 3.668 ( 10.232 -3.164 -2.786) 11.066 4.090 ( -2.428 -3.485 -2.031) 4.708 4.124 ( 7.959 -3.346 8.624) 12.203 4.718 ( -1.393 2.571 -2.340) 3.745 4.800 ( 2.986 5.702 -5.487) 8.458 5.320 ( -7.116 4.103 -8.780) 12.023 5.466 ( 9.695 -0.771 1.540) 9.847 6.064 ( -5.319 3.817 -0.264) 6.552 6.206 ( 5.095 2.904 -0.861) 5.927 6.499 ( -3.876 -3.429 0.329) 5.186 6.579 ( 2.669 -6.748 1.193) 7.354 8.010 ( 2.571 1.671 2.002) 3.662 8.048 ( 4.461 -1.298 1.483) 4.877 8.806 ( -8.457 9.433 -0.624) 12.685 8.985 ( 3.176 3.104 -4.415) 6.262 9.206 ( -4.768 6.666 -3.363) 8.859 9.276 ( 5.653 0.258 5.477) 7.876 9.715 ( -6.051 -6.529 -3.128) 9.436 9.757 ( 2.581 -8.830 4.736) 10.347 10.596 ( -1.345 3.753 1.166) 4.153 10.617 ( 0.445 1.349 -0.612) 1.547 10.738 ( -13.366 3.707 8.020) 16.022 11.105 ( -8.199 -10.209 -1.286) 13.157 11.387 ( 6.919 5.183 -0.603) 8.666 11.697 ( 9.317 -7.020 -5.457) 12.879 11.806 ( -9.134 -0.051 0.990) 9.188 12.104 ( 10.402 -0.445 -7.475) 12.817 12.309 ( -3.788 1.715 23.763) 24.124 12.898 ( 14.068 3.724 -20.546) 25.178 14.147 ( -1.134 -2.336 10.529) 10.844 14.275 ( -3.321 -1.849 -6.528) 7.554 14.640 ( -27.776 -1.177 6.321) 28.510 15.468 ( 27.541 3.172 -8.289) 28.935 ======================= Grid point 817 (415/468) ======================= q-point: (-0.27 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.440 ( -3.343 -0.945 -0.268) 3.484 2.516 ( -1.737 -1.969 2.950) 3.949 3.337 ( -7.577 -4.242 7.640) 11.566 3.729 ( 7.324 2.652 -5.567) 9.574 4.094 ( -0.399 -10.608 -1.803) 10.768 4.332 ( 4.093 2.067 3.375) 5.693 4.646 ( -1.434 12.614 -6.170) 14.115 4.735 ( 4.377 -4.629 3.816) 7.426 5.146 ( -2.668 1.185 -4.253) 5.158 5.598 ( 7.966 -0.746 1.255) 8.099 5.972 ( -3.610 4.751 0.523) 5.989 6.251 ( 4.536 0.986 0.686) 4.692 6.472 ( -4.535 -2.599 0.190) 5.230 6.692 ( 3.124 -6.326 1.026) 7.129 7.914 ( 0.356 2.162 -8.660) 8.933 8.250 ( 10.164 1.782 7.521) 12.769 8.617 ( -9.909 5.207 1.456) 11.288 8.915 ( -4.552 -1.141 -7.561) 8.899 9.115 ( 2.347 7.250 4.844) 9.029 9.403 ( 6.144 2.890 2.039) 7.089 9.627 ( -6.731 -4.179 -1.443) 8.054 9.967 ( 2.418 -7.878 7.467) 11.121 10.440 ( -6.300 6.037 -3.623) 9.448 10.613 ( -2.191 -1.654 -1.851) 3.311 10.733 ( -4.754 1.523 7.663) 9.146 11.037 ( -12.374 -11.991 -3.615) 17.606 11.402 ( 6.531 4.926 -5.734) 9.990 11.668 ( -3.690 0.009 3.628) 5.175 11.786 ( -1.470 2.407 -1.797) 3.345 12.062 ( 5.910 -4.058 -17.491) 18.903 12.546 ( 5.203 6.771 19.446) 21.238 12.965 ( 19.148 -2.641 -3.469) 19.639 14.008 ( -20.931 2.382 -1.040) 21.092 14.138 ( -3.879 -6.424 -16.732) 18.338 14.615 ( -8.731 -3.471 16.893) 19.330 15.733 ( 26.976 4.976 0.684) 27.439 ======================= Grid point 818 (416/468) ======================= q-point: (-0.18 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.416 ( -3.022 -3.089 0.129) 4.324 2.542 ( -5.926 -0.933 4.245) 7.349 3.328 ( -3.496 4.367 0.300) 5.602 3.697 ( 0.255 1.190 -2.768) 3.024 4.111 ( -7.308 -2.647 1.037) 7.842 4.363 ( 3.066 -0.435 -0.011) 3.097 4.521 ( 2.839 3.048 1.239) 4.346 4.921 ( 2.802 -10.815 3.779) 11.794 5.109 ( 5.393 6.932 -0.969) 8.836 5.730 ( 8.046 -1.543 2.637) 8.607 5.906 ( -2.417 2.556 -0.156) 3.522 6.307 ( 1.608 -2.614 0.985) 3.224 6.453 ( -0.610 -0.618 -0.088) 0.873 6.762 ( 3.335 -0.098 -1.282) 3.574 7.817 ( -0.757 0.507 -3.001) 3.137 8.410 ( 4.894 8.827 5.861) 11.671 8.536 ( -3.338 -3.900 2.502) 5.711 8.753 ( -6.629 -3.017 -8.044) 10.851 9.167 ( -1.054 4.509 4.683) 6.585 9.450 ( 5.662 0.141 1.082) 5.766 9.622 ( 0.471 1.246 3.445) 3.694 10.053 ( -2.180 2.520 1.109) 3.512 10.310 ( -3.443 -2.574 -5.743) 7.174 10.537 ( -3.760 0.015 -4.254) 5.678 10.711 ( -10.303 -1.334 1.793) 10.543 10.976 ( -5.329 -8.456 0.752) 10.023 11.291 ( 1.229 6.978 -11.414) 13.435 11.585 ( -5.821 -0.043 -6.373) 8.632 11.832 ( 4.433 0.589 4.705) 6.491 12.015 ( 9.396 0.853 -1.746) 9.595 12.791 ( 9.076 2.939 10.617) 14.273 13.211 ( 10.229 -5.378 4.256) 12.315 13.691 ( -19.542 2.318 -4.786) 20.253 13.936 ( -2.665 -7.733 -15.902) 17.882 14.742 ( -4.103 -1.115 11.318) 12.091 16.044 ( 21.887 5.122 6.067) 23.283 ======================= Grid point 819 (417/468) ======================= q-point: (-0.09 -0.55 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.368 ( -6.855 2.979 -6.341) 9.801 2.474 ( -8.536 -4.607 3.609) 10.349 3.198 ( -1.333 8.662 -5.563) 10.380 3.672 ( -0.057 3.655 2.459) 4.406 4.054 ( -9.454 1.942 8.447) 12.826 4.476 ( 6.150 -4.929 4.877) 9.268 4.625 ( 1.737 -4.599 4.943) 6.971 5.080 ( 1.945 -3.360 -1.734) 4.252 5.107 ( 5.205 -2.586 3.950) 7.028 5.835 ( 0.837 -6.131 -5.571) 8.326 5.877 ( 0.756 5.429 5.530) 7.786 6.377 ( 1.662 -6.695 1.249) 7.010 6.453 ( 4.207 3.543 -1.951) 5.836 6.762 ( 4.910 5.241 -2.047) 7.468 7.822 ( -2.757 -2.643 4.875) 6.193 8.365 ( -4.266 8.957 3.377) 10.480 8.575 ( -9.340 -6.855 -2.213) 11.795 8.673 ( 7.452 -0.692 -2.663) 7.944 9.114 ( -5.491 1.635 1.081) 5.830 9.563 ( 4.471 6.606 0.036) 7.976 9.684 ( 6.845 -1.725 5.009) 8.656 9.995 ( -0.920 3.408 1.460) 3.820 10.170 ( -5.315 -2.862 -12.220) 13.630 10.435 ( -2.942 2.820 -3.168) 5.162 10.607 ( -8.892 -3.319 -0.070) 9.492 10.953 ( -8.103 -5.198 -8.563) 12.884 11.157 ( 5.808 7.544 1.209) 9.597 11.482 ( -3.893 -0.301 -1.913) 4.348 11.817 ( 4.507 3.224 -7.828) 9.591 12.288 ( 13.092 -5.305 12.158) 18.638 12.954 ( 2.368 1.070 4.946) 5.587 13.284 ( -9.983 -1.977 -4.909) 11.299 13.482 ( 0.522 -2.260 -0.262) 2.335 13.835 ( 0.572 -6.319 -8.575) 10.667 14.807 ( -1.706 1.555 5.700) 6.149 16.320 ( 14.505 4.423 7.658) 16.988 ======================= Grid point 827 (418/468) ======================= q-point: (-0.45 -0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( -2.401 0.000 -0.806) 2.533 2.507 ( -1.691 0.000 -1.535) 2.284 3.258 ( -11.402 0.000 7.677) 13.745 3.632 ( 11.507 -0.000 -0.848) 11.538 4.074 ( -4.488 0.000 -8.533) 9.641 4.089 ( 11.403 -0.000 13.806) 17.906 4.739 ( -3.928 0.000 -4.559) 6.018 4.847 ( 4.468 -0.000 -1.699) 4.780 5.367 ( -5.882 0.000 -12.038) 13.398 5.454 ( 8.537 -0.000 1.533) 8.674 6.101 ( -5.369 0.000 2.681) 6.001 6.243 ( 4.034 -0.000 -0.716) 4.097 6.482 ( 0.442 -0.000 -0.000) 0.442 6.491 ( -0.171 0.000 -0.513) 0.541 8.026 ( -1.381 0.000 -5.591) 5.759 8.033 ( 8.253 -0.000 10.148) 13.080 8.914 ( -5.466 0.000 -0.107) 5.467 9.009 ( -2.880 0.000 -6.542) 7.148 9.274 ( 5.720 -0.000 10.056) 11.569 9.277 ( -4.272 0.000 -6.254) 7.574 9.653 ( -4.474 0.000 -6.581) 7.958 9.662 ( 3.818 -0.000 7.333) 8.268 10.614 ( -2.060 0.000 1.042) 2.308 10.622 ( 0.597 -0.000 4.089) 4.132 10.897 ( -17.545 0.000 4.118) 18.022 10.898 ( -11.181 0.000 2.012) 11.360 11.509 ( 11.630 -0.000 1.648) 11.746 11.564 ( 17.065 -0.000 -12.191) 20.972 11.807 ( -12.328 0.000 0.697) 12.348 12.101 ( 8.591 -0.000 -9.354) 12.701 12.328 ( -3.049 0.000 28.555) 28.718 12.933 ( 13.676 -0.000 -22.432) 26.272 14.125 ( -0.321 0.000 11.347) 11.352 14.254 ( -2.070 0.000 -8.473) 8.722 14.635 ( -31.294 0.000 7.301) 32.134 15.496 ( 28.397 -0.000 -7.950) 29.489 ======================= Grid point 828 (419/468) ======================= q-point: (-0.36 -0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( -4.314 0.856 0.958) 4.501 2.484 ( -3.707 -1.556 3.113) 5.084 3.250 ( -8.417 -3.863 8.350) 12.470 3.770 ( 12.639 1.194 -2.707) 12.981 3.964 ( 1.927 -3.544 -8.435) 9.350 4.388 ( 7.221 3.247 10.856) 13.437 4.624 ( -5.578 -4.928 -2.086) 7.730 4.828 ( 1.087 5.598 -6.078) 8.334 5.180 ( 0.266 1.851 -5.766) 6.062 5.562 ( 4.772 -2.098 1.326) 5.379 6.069 ( -4.064 4.332 3.936) 7.125 6.281 ( 3.911 2.305 0.251) 4.547 6.453 ( -1.626 1.321 -0.351) 2.124 6.549 ( 1.769 -8.956 0.268) 9.133 7.940 ( 2.347 0.742 -8.954) 9.286 8.263 ( 9.921 0.124 8.116) 12.818 8.727 ( -10.823 5.530 -5.300) 13.259 8.895 ( -6.956 -1.465 -3.086) 7.750 9.226 ( -0.054 4.348 5.009) 6.633 9.461 ( 5.222 4.391 2.790) 7.371 9.555 ( -1.728 -4.568 -0.198) 4.888 9.832 ( 4.135 -5.621 7.878) 10.524 10.584 ( -3.496 -1.197 -1.159) 3.872 10.589 ( -6.784 9.997 -3.093) 12.471 10.740 ( -6.190 -0.588 7.906) 10.058 10.826 ( -15.684 -11.358 -1.414) 19.416 11.490 ( 3.748 3.831 -10.103) 11.437 11.690 ( 6.268 2.564 5.374) 8.645 11.790 ( 4.175 -2.089 0.364) 4.682 11.983 ( 1.305 -3.315 -17.884) 18.236 12.653 ( 1.926 4.411 23.852) 24.333 12.924 ( 19.939 -1.979 -13.016) 23.893 14.030 ( -18.995 0.449 -2.356) 19.146 14.057 ( -5.121 -2.571 -16.448) 17.418 14.576 ( -11.992 -1.092 21.335) 24.499 15.796 ( 28.495 2.029 -0.737) 28.577 ======================= Grid point 829 (420/468) ======================= q-point: (-0.27 -0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.389 ( -5.738 0.062 1.804) 6.015 2.509 ( -7.116 -2.427 7.237) 10.436 3.311 ( -5.969 -5.265 8.234) 11.452 3.767 ( 6.046 6.733 -10.548) 13.898 3.992 ( 4.796 -7.003 -4.256) 9.495 4.385 ( -5.237 3.181 3.640) 7.127 4.648 ( -3.057 0.288 -7.366) 7.980 4.731 ( 1.503 -3.189 4.234) 5.510 5.242 ( 13.193 6.469 3.385) 15.079 5.653 ( 3.430 -5.372 0.229) 6.377 6.018 ( -3.602 7.787 4.116) 9.516 6.294 ( 0.236 1.926 0.555) 2.019 6.443 ( 1.315 -0.170 0.916) 1.611 6.672 ( 3.181 -9.795 0.545) 10.313 7.849 ( 3.432 2.834 -8.411) 9.516 8.461 ( 0.271 -2.889 4.394) 5.265 8.522 ( 0.050 1.941 -3.411) 3.925 8.764 ( -8.627 3.808 -0.765) 9.461 9.234 ( -4.163 2.457 1.081) 4.954 9.467 ( 3.921 2.683 4.698) 6.682 9.659 ( 4.528 2.073 4.950) 7.022 10.022 ( 2.563 -5.220 5.802) 8.214 10.350 ( -8.447 6.909 -5.849) 12.381 10.517 ( -3.496 -1.710 -4.427) 5.894 10.659 ( -15.836 -5.329 -1.288) 16.758 10.832 ( -1.215 -7.018 4.118) 8.227 11.385 ( 2.025 3.084 -7.440) 8.304 11.621 ( -5.839 4.603 -12.348) 14.414 11.848 ( 5.063 1.176 5.243) 7.383 12.003 ( 13.258 -2.660 -2.011) 13.671 12.852 ( 8.016 4.977 5.951) 11.155 13.106 ( 9.895 -7.328 1.541) 12.409 13.724 ( -15.990 1.860 -8.357) 18.138 13.831 ( -8.154 -4.577 -8.543) 12.665 14.715 ( -7.189 -1.575 15.904) 17.525 16.127 ( 24.991 4.000 3.448) 25.543 ======================= Grid point 830 (421/468) ======================= q-point: (-0.18 -0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( -5.326 -2.423 2.355) 6.307 2.449 ( -16.089 0.186 2.152) 16.233 3.333 ( -2.814 4.563 0.759) 5.414 3.671 ( 2.780 -1.806 -4.716) 5.764 4.013 ( -2.422 -3.034 -0.106) 3.883 4.420 ( 1.195 -1.876 5.364) 5.807 4.629 ( 4.193 0.278 4.981) 6.517 4.807 ( -0.686 -10.678 -1.114) 10.758 5.352 ( 8.890 14.687 3.818) 17.587 5.722 ( -0.061 -6.788 -2.983) 7.415 5.971 ( -3.057 5.666 4.960) 8.127 6.299 ( 0.319 -1.677 0.954) 1.956 6.504 ( 6.449 2.279 1.543) 7.011 6.781 ( 4.092 -4.281 -0.530) 5.945 7.792 ( 1.854 0.607 -2.679) 3.314 8.374 ( -9.114 -8.092 -2.873) 12.522 8.593 ( -8.400 8.936 1.804) 12.396 8.670 ( 10.610 -0.017 0.274) 10.613 9.138 ( -5.883 0.622 -1.776) 6.177 9.630 ( 7.170 1.161 10.426) 12.707 9.715 ( 2.814 5.390 0.802) 6.133 10.079 ( -2.071 4.889 3.595) 6.413 10.124 ( -5.149 -1.325 -13.121) 14.157 10.433 ( -1.191 -2.537 -6.296) 6.891 10.540 ( -11.139 -4.397 3.579) 12.499 10.870 ( -4.387 -3.798 -2.995) 6.530 11.303 ( 2.621 7.900 -1.795) 8.514 11.431 ( -2.432 -4.268 -6.138) 7.862 11.888 ( 5.161 4.628 -6.188) 9.292 12.233 ( 13.047 -1.485 8.769) 15.790 12.947 ( 3.091 -1.368 0.224) 3.387 13.202 ( -4.097 -7.003 -6.702) 10.524 13.488 ( -4.001 2.547 -0.182) 4.746 13.741 ( -3.084 -4.762 -1.693) 5.921 14.803 ( -6.259 -1.391 9.704) 11.631 16.413 ( 18.886 5.738 4.383) 20.219 ======================= Grid point 831 (422/468) ======================= q-point: (-0.09 -0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.153 ( -18.591 2.622 -6.076) 19.733 2.386 ( -6.391 -6.834 5.491) 10.849 3.198 ( 0.554 11.471 -6.380) 13.138 3.742 ( 1.406 -6.128 2.868) 6.910 4.040 ( -2.900 -1.687 6.003) 6.877 4.510 ( 1.742 -0.324 2.781) 3.298 4.801 ( 1.845 0.058 12.535) 12.670 4.946 ( 5.786 -19.492 0.346) 20.335 5.311 ( 1.756 17.840 2.965) 18.170 5.690 ( -4.375 -5.419 -5.057) 8.607 5.952 ( -3.527 2.242 3.358) 5.361 6.348 ( 0.370 -5.021 0.657) 5.077 6.573 ( 8.062 6.535 0.215) 10.380 6.831 ( 4.230 2.219 -2.094) 5.216 7.824 ( -0.271 -3.977 3.352) 5.208 8.314 ( -7.162 -9.423 -3.003) 12.211 8.434 ( -5.476 10.046 1.961) 11.609 8.776 ( 7.092 0.963 -1.858) 7.394 9.068 ( -3.733 -0.756 0.929) 3.921 9.610 ( -0.161 10.792 -8.252) 13.586 9.856 ( 7.719 -2.305 5.019) 9.491 9.932 ( -3.681 -4.317 -6.700) 8.779 10.083 ( -0.376 5.429 7.025) 8.886 10.376 ( 0.766 -3.450 -6.441) 7.347 10.507 ( -5.699 0.356 2.967) 6.435 10.758 ( -5.715 -0.873 -2.821) 6.433 11.257 ( -1.472 2.193 -1.298) 2.943 11.452 ( 6.594 -0.906 -2.409) 7.078 11.784 ( 1.815 4.090 -8.621) 9.713 12.512 ( 11.330 -4.116 4.481) 12.860 12.875 ( -11.532 -1.414 -3.964) 12.276 13.163 ( 4.920 -3.521 -0.119) 6.051 13.499 ( -2.688 -1.358 3.405) 4.546 13.755 ( 1.469 -3.061 -1.413) 3.678 14.835 ( -4.807 -1.995 4.976) 7.201 16.594 ( 10.847 6.589 2.920) 13.023 ======================= Grid point 839 (423/468) ======================= q-point: (-0.36 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.399 ( -6.733 0.000 2.109) 7.056 2.481 ( -7.827 0.000 8.645) 11.661 3.247 ( -6.534 0.000 8.958) 11.088 3.854 ( 4.826 -0.000 -13.176) 14.032 3.918 ( 12.976 -0.000 -2.843) 13.284 4.452 ( -10.342 0.000 1.615) 10.467 4.528 ( -5.571 0.000 -1.315) 5.724 4.788 ( 4.459 -0.000 -2.866) 5.300 5.302 ( 16.464 -0.000 3.848) 16.908 5.597 ( -0.446 0.000 2.065) 2.112 6.091 ( -4.942 0.000 4.331) 6.572 6.354 ( 3.849 -0.000 1.210) 4.034 6.486 ( 0.032 -0.000 1.269) 1.270 6.492 ( 2.089 -0.000 0.008) 2.089 7.881 ( 5.806 -0.000 -9.179) 10.861 8.428 ( -6.273 0.000 1.312) 6.409 8.534 ( 4.330 -0.000 -5.496) 6.997 8.811 ( -8.800 0.000 3.736) 9.560 9.250 ( -4.388 0.000 -2.619) 5.111 9.509 ( 0.512 -0.000 8.451) 8.466 9.674 ( 7.402 -0.000 4.836) 8.842 9.960 ( 5.125 -0.000 6.855) 8.559 10.472 ( -11.009 0.000 -9.031) 14.239 10.495 ( -3.212 0.000 -6.879) 7.592 10.556 ( -16.036 0.000 4.893) 16.766 10.773 ( -0.347 0.000 4.431) 4.445 11.407 ( -0.460 0.000 -5.921) 5.939 11.681 ( -8.008 0.000 -15.206) 17.186 11.865 ( 8.844 -0.000 -0.118) 8.845 11.959 ( 15.883 -0.000 4.978) 16.645 12.960 ( 0.992 -0.000 16.124) 16.154 12.975 ( 15.729 -0.000 -13.186) 20.524 13.759 ( -6.307 0.000 -15.955) 17.156 13.775 ( -18.299 0.000 1.551) 18.365 14.700 ( -8.221 0.000 17.228) 19.089 16.163 ( 26.044 -0.000 2.734) 26.187 ======================= Grid point 840 (424/468) ======================= q-point: (-0.27 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( -8.524 -0.174 3.614) 9.260 2.445 ( -15.813 -0.466 5.288) 16.680 3.303 ( -6.099 -4.212 8.959) 11.628 3.725 ( 4.312 5.644 -11.377) 13.412 3.983 ( 4.443 -1.265 -6.448) 7.932 4.403 ( -1.509 0.439 4.461) 4.729 4.481 ( 1.399 -9.421 -1.100) 9.588 4.831 ( 2.666 4.385 3.006) 5.947 5.536 ( 11.092 6.394 4.420) 13.544 5.620 ( -1.377 -4.620 1.145) 4.955 6.051 ( -6.211 2.602 2.728) 7.266 6.356 ( 0.378 8.462 2.118) 8.731 6.530 ( 7.893 0.847 3.600) 8.716 6.621 ( 2.174 -12.335 1.544) 12.620 7.845 ( 6.495 3.833 -6.796) 10.152 8.237 ( -11.179 -5.957 -5.971) 14.004 8.668 ( 10.259 -0.083 0.481) 10.271 8.727 ( -9.689 4.905 4.654) 11.815 9.134 ( -4.546 -0.622 -5.075) 6.841 9.651 ( 0.984 1.080 11.751) 11.842 9.790 ( 6.161 2.398 1.227) 6.724 10.065 ( 0.610 -1.731 -4.900) 5.233 10.212 ( -5.864 6.311 -3.101) 9.156 10.372 ( -3.765 -4.239 -5.803) 8.113 10.479 ( -10.183 -1.816 5.690) 11.806 10.817 ( -0.312 -2.190 -0.862) 2.374 11.341 ( 1.835 -1.759 -6.538) 7.015 11.432 ( -6.849 2.973 -5.013) 8.993 11.953 ( 8.536 2.362 -4.113) 9.766 12.222 ( 13.994 -0.182 6.446) 15.408 12.932 ( 2.186 0.027 -8.120) 8.409 13.085 ( -0.388 -5.023 -2.644) 5.689 13.547 ( -5.786 3.432 -0.633) 6.757 13.668 ( -6.458 -3.488 2.603) 7.788 14.780 ( -8.280 -0.880 11.277) 14.018 16.489 ( 21.297 2.556 2.950) 21.652 ======================= Grid point 841 (425/468) ======================= q-point: (-0.18 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -24.103 1.390 -3.699) 24.425 2.298 ( -8.647 -3.298 5.804) 10.924 3.350 ( -3.458 1.343 3.242) 4.927 3.617 ( 1.184 0.715 -5.385) 5.560 3.992 ( 3.697 -6.075 -1.369) 7.242 4.500 ( 5.002 -2.997 3.534) 6.818 4.682 ( 8.473 -8.747 5.309) 13.285 4.858 ( 1.399 5.750 7.728) 9.733 5.573 ( -4.141 1.754 4.004) 6.022 5.613 ( -0.300 5.200 -3.369) 6.203 5.979 ( -6.499 1.269 1.910) 6.891 6.330 ( -0.101 4.098 2.476) 4.789 6.667 ( 7.549 3.384 1.544) 8.416 6.781 ( 4.484 -7.947 2.953) 9.591 7.813 ( 3.650 3.582 -2.325) 5.618 8.145 ( -5.152 -10.117 -4.236) 12.118 8.603 ( -7.186 8.709 4.005) 11.979 8.770 ( 6.159 -1.076 -2.635) 6.784 9.047 ( -3.307 -1.671 -1.980) 4.201 9.762 ( 0.821 5.390 -8.902) 10.439 9.809 ( 0.115 -1.940 6.822) 7.093 9.888 ( 0.326 -1.173 -9.045) 9.126 10.189 ( 0.543 6.449 6.127) 8.912 10.325 ( 0.579 -1.383 -4.858) 5.085 10.484 ( -5.719 -2.517 7.671) 9.893 10.756 ( -4.061 -0.140 -3.196) 5.170 11.251 ( -3.287 -3.449 -10.981) 11.970 11.423 ( 4.135 -0.187 5.589) 6.955 11.896 ( 4.668 7.094 -10.411) 13.435 12.465 ( 11.929 -1.540 4.259) 12.760 12.824 ( -8.726 -3.825 -5.121) 10.817 13.106 ( 5.139 -2.752 1.716) 6.077 13.503 ( -5.037 1.545 4.083) 6.665 13.695 ( 0.113 -3.711 1.449) 3.985 14.792 ( -8.627 -2.373 5.780) 10.652 16.704 ( 14.376 5.355 0.536) 15.350 ======================= Grid point 842 (426/468) ======================= q-point: (-0.09 -0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -20.764 -2.593 -1.146) 20.956 2.325 ( -7.638 -6.633 7.800) 12.774 3.256 ( 3.061 12.424 -5.035) 13.751 3.631 ( -4.610 -12.580 0.467) 13.407 4.114 ( 5.866 -3.677 1.395) 7.062 4.627 ( 3.454 -0.059 5.070) 6.135 4.754 ( 1.826 0.205 -4.018) 4.418 5.126 ( 6.266 -5.408 19.034) 20.756 5.470 ( -1.249 12.121 -3.350) 12.637 5.529 ( -8.083 -1.687 1.630) 8.417 5.929 ( -4.625 -1.621 1.323) 5.076 6.342 ( 0.027 -0.057 2.116) 2.117 6.686 ( 1.855 3.332 -2.396) 4.504 6.849 ( -0.649 3.753 -1.571) 4.119 7.844 ( 2.014 -2.283 2.648) 4.035 8.151 ( -1.288 -8.193 -1.287) 8.393 8.525 ( -0.464 9.758 4.040) 10.572 8.785 ( 2.272 -1.144 -4.466) 5.139 9.040 ( -0.853 -3.217 2.131) 3.952 9.502 ( -0.503 4.847 -17.275) 17.950 9.852 ( -0.174 0.117 -0.966) 0.989 9.955 ( 2.532 -5.059 4.535) 7.251 10.225 ( 4.083 3.376 -0.323) 5.308 10.281 ( -2.823 2.438 2.543) 4.514 10.526 ( -2.338 1.142 4.438) 5.144 10.719 ( 0.625 -1.013 1.078) 1.606 11.091 ( -3.608 -8.252 -13.422) 16.164 11.544 ( 5.037 1.654 2.613) 5.911 11.770 ( 3.958 7.610 -5.576) 10.231 12.580 ( 2.072 -1.288 -3.956) 4.648 12.757 ( -2.520 -1.594 5.445) 6.209 13.262 ( 3.468 -0.693 5.318) 6.386 13.469 ( -2.932 -0.810 2.255) 3.786 13.745 ( 2.087 -3.065 -0.684) 3.771 14.765 ( -8.084 -5.910 1.797) 10.174 16.762 ( 6.048 7.328 -3.027) 9.972 ======================= Grid point 851 (427/468) ======================= q-point: (-0.27 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( -24.909 0.000 -3.018) 25.092 2.271 ( -10.593 0.000 6.061) 12.204 3.309 ( -6.966 0.000 7.996) 10.605 3.743 ( 6.966 -0.000 -2.881) 7.538 3.857 ( -0.911 0.000 -11.047) 11.085 4.463 ( 13.849 -0.000 -6.080) 15.124 4.618 ( 4.231 -0.000 19.503) 19.957 4.926 ( 3.458 -0.000 2.918) 4.525 5.530 ( -10.680 0.000 2.846) 11.053 5.703 ( 4.793 -0.000 -1.674) 5.077 5.992 ( -7.907 0.000 1.021) 7.973 6.443 ( -2.157 0.000 3.506) 4.116 6.603 ( 0.874 -0.000 3.998) 4.093 6.724 ( 12.314 -0.000 4.758) 13.201 7.896 ( 8.197 -0.000 -3.851) 9.057 8.012 ( -7.209 0.000 -5.447) 9.035 8.689 ( -8.391 0.000 4.800) 9.667 8.757 ( 5.769 -0.000 -2.761) 6.395 9.027 ( -2.890 0.000 -3.351) 4.425 9.778 ( -0.496 0.000 8.648) 8.662 9.816 ( -2.151 0.000 -15.263) 15.414 9.879 ( 2.500 -0.000 -6.617) 7.074 10.275 ( -0.390 0.000 -1.077) 1.145 10.303 ( 2.965 -0.000 6.104) 6.786 10.459 ( -6.203 0.000 7.970) 10.099 10.749 ( -3.289 0.000 -3.891) 5.095 11.205 ( -1.326 0.000 -14.378) 14.439 11.430 ( -0.602 0.000 8.386) 8.408 11.967 ( 6.882 -0.000 -11.385) 13.304 12.453 ( 11.928 -0.000 3.769) 12.509 12.783 ( -7.451 0.000 -4.842) 8.886 13.081 ( 5.351 -0.000 2.566) 5.934 13.526 ( -6.940 0.000 4.381) 8.208 13.653 ( -0.055 0.000 2.282) 2.283 14.770 ( -9.762 0.000 5.839) 11.375 16.753 ( 15.652 -0.000 -0.255) 15.654 ======================= Grid point 852 (428/468) ======================= q-point: (-0.18 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -26.013 -0.532 -2.132) 26.106 2.241 ( -10.166 -2.754 8.630) 13.616 3.323 ( -6.011 -3.748 3.908) 8.090 3.635 ( 3.662 13.505 -6.365) 15.373 3.931 ( 5.596 -15.544 -1.390) 16.579 4.553 ( 12.962 -1.881 -9.351) 16.094 4.934 ( 5.963 10.650 11.176) 16.549 5.050 ( 4.871 -4.059 19.036) 20.064 5.418 ( -12.649 -4.713 0.611) 13.512 5.661 ( 0.123 4.769 -4.582) 6.615 5.904 ( -7.807 -0.889 1.182) 7.946 6.413 ( -2.782 6.714 4.111) 8.349 6.668 ( -3.831 -4.894 1.750) 6.457 6.887 ( 5.271 1.281 1.429) 5.610 7.868 ( 2.318 4.797 -2.190) 5.760 8.011 ( 2.719 -7.862 -1.368) 8.430 8.663 ( -0.429 5.431 3.995) 6.756 8.757 ( 1.144 -1.617 -3.069) 3.653 8.994 ( -0.146 -1.793 -0.131) 1.803 9.545 ( -1.456 0.840 -19.362) 19.435 9.841 ( -0.936 -0.588 -3.125) 3.314 9.880 ( 0.444 -3.106 4.895) 5.814 10.288 ( 5.087 3.220 -0.446) 6.037 10.375 ( 1.151 6.163 4.265) 7.583 10.520 ( -1.724 -1.459 7.941) 8.256 10.696 ( -1.651 -1.668 0.642) 2.433 10.952 ( -6.355 -5.802 -19.427) 21.247 11.567 ( 2.214 0.951 9.228) 9.537 11.887 ( 7.849 4.395 -10.736) 14.006 12.558 ( 0.668 -1.013 -1.730) 2.112 12.732 ( 0.301 -0.949 5.856) 5.940 13.259 ( 5.839 0.063 8.463) 10.282 13.466 ( -5.845 0.242 2.280) 6.279 13.693 ( 1.719 -2.237 0.236) 2.831 14.687 ( -11.338 -2.564 0.801) 11.652 16.858 ( 8.336 3.229 -4.933) 10.210 ======================= Grid point 853 (429/468) ======================= q-point: (-0.09 -0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -13.673 -6.374 9.603) 17.883 2.284 ( -7.831 -5.916 10.060) 14.054 3.292 ( -3.137 0.977 -2.136) 3.919 3.559 ( 4.104 3.633 -1.319) 5.638 4.109 ( 4.634 -11.987 -1.066) 12.895 4.564 ( 5.998 -4.304 -11.793) 13.913 4.928 ( -2.174 15.354 6.924) 16.982 5.236 ( -10.231 -2.788 2.311) 10.853 5.503 ( 2.954 -0.033 8.509) 9.007 5.578 ( 5.170 4.374 4.926) 8.374 5.859 ( -4.606 -3.055 1.353) 5.691 6.388 ( -1.826 3.180 3.348) 4.966 6.602 ( -6.732 -1.602 -4.907) 8.483 6.837 ( -4.728 5.980 -3.369) 8.335 7.900 ( 4.581 -1.374 2.007) 5.187 8.094 ( 1.237 -6.595 0.968) 6.779 8.638 ( -2.943 6.210 3.079) 7.530 8.801 ( 9.039 4.178 -1.238) 10.034 9.045 ( 1.520 -4.584 3.212) 5.801 9.324 ( 0.744 -0.774 -13.218) 13.262 9.784 ( -3.093 -3.046 -3.656) 5.675 9.985 ( 2.409 -5.129 3.216) 6.516 10.238 ( -1.512 6.165 -8.341) 10.482 10.370 ( -2.234 5.632 4.076) 7.302 10.574 ( 5.446 3.716 -0.573) 6.618 10.732 ( 1.142 -3.936 1.671) 4.426 10.838 ( -1.519 -12.664 -0.136) 12.756 11.638 ( 2.229 3.367 0.590) 4.081 11.849 ( 9.543 5.541 -6.164) 12.640 12.555 ( -5.341 0.844 6.377) 8.361 12.858 ( 6.038 0.357 6.301) 8.734 13.193 ( -12.347 0.155 -5.164) 13.384 13.607 ( 7.926 2.050 10.527) 13.336 13.735 ( 3.411 -2.662 -1.788) 4.682 14.575 ( -11.582 -9.049 -2.202) 14.862 16.785 ( 0.833 5.911 -9.253) 11.012 ======================= Grid point 863 (430/468) ======================= q-point: (-0.18 -0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -16.583 0.000 9.350) 19.037 2.229 ( -8.867 0.000 10.688) 13.887 3.260 ( -6.651 0.000 1.457) 6.809 3.702 ( 6.732 -0.000 -5.854) 8.921 3.911 ( 5.463 -0.000 0.773) 5.517 4.548 ( 11.775 -0.000 -15.403) 19.388 5.102 ( -0.900 0.000 6.334) 6.397 5.175 ( -19.243 0.000 3.899) 19.634 5.500 ( 13.624 -0.000 21.902) 25.793 5.610 ( 3.364 -0.000 -8.839) 9.458 5.832 ( -6.449 0.000 3.880) 7.527 6.435 ( -4.818 0.000 2.770) 5.557 6.575 ( -9.366 0.000 -1.537) 9.492 6.891 ( -3.966 0.000 -3.211) 5.103 7.897 ( 5.782 -0.000 -2.123) 6.159 8.025 ( 1.417 -0.000 2.226) 2.638 8.707 ( -3.641 0.000 1.539) 3.953 8.823 ( 12.827 -0.000 3.042) 13.182 9.014 ( 2.757 -0.000 1.454) 3.117 9.308 ( -2.725 0.000 -14.500) 14.754 9.756 ( -2.378 0.000 -4.347) 4.955 9.931 ( 1.552 -0.000 3.617) 3.936 10.294 ( -4.409 0.000 -9.553) 10.521 10.478 ( 4.698 -0.000 -0.260) 4.706 10.619 ( 5.558 -0.000 -5.625) 7.908 10.658 ( -3.683 0.000 7.579) 8.426 10.701 ( -1.803 0.000 4.490) 4.838 11.671 ( 0.868 -0.000 2.273) 2.432 11.898 ( 11.480 -0.000 -9.738) 15.054 12.561 ( -5.189 0.000 9.455) 10.786 12.861 ( 7.351 -0.000 6.028) 9.507 13.195 ( -14.027 0.000 -5.956) 15.240 13.629 ( 10.081 -0.000 13.154) 16.573 13.709 ( 3.304 -0.000 -0.900) 3.424 14.491 ( -14.594 0.000 -3.939) 15.116 16.839 ( 1.807 -0.000 -10.347) 10.503 ======================= Grid point 864 (431/468) ======================= q-point: (-0.09 -0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 848 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 0.131 -4.375 20.604) 21.063 2.287 ( -5.776 -3.510 10.577) 12.552 3.182 ( -7.399 -1.954 -1.638) 7.826 3.700 ( 9.173 8.290 -1.821) 12.497 4.036 ( 3.195 -11.366 -0.696) 11.827 4.460 ( 6.881 1.263 -15.823) 17.301 4.967 ( -13.031 3.429 1.316) 13.539 5.123 ( -8.327 -0.701 3.526) 9.070 5.538 ( 3.901 4.725 -6.768) 9.129 5.761 ( -2.371 -1.487 4.416) 5.228 5.947 ( 6.377 4.896 13.680) 15.868 6.373 ( -6.495 2.340 -5.509) 8.832 6.431 ( -4.372 -6.341 -0.253) 7.706 6.737 ( -8.154 3.050 -5.001) 10.040 7.980 ( 8.156 -1.271 -0.271) 8.259 8.077 ( 0.716 -3.635 1.573) 4.025 8.684 ( -4.300 5.619 5.766) 9.127 9.000 ( 8.619 10.116 0.771) 13.313 9.071 ( 1.764 -4.106 2.556) 5.148 9.187 ( 3.529 -8.137 -5.095) 10.229 9.690 ( -0.315 -0.509 -4.365) 4.406 9.988 ( -7.922 -1.600 -10.958) 13.616 10.046 ( 0.741 -2.090 2.285) 3.184 10.473 ( 2.759 8.287 0.660) 8.759 10.640 ( 1.711 -3.652 0.767) 4.105 10.744 ( -2.153 -2.837 4.949) 6.097 10.902 ( 9.913 -3.171 11.041) 15.173 11.664 ( 2.415 1.589 -3.639) 4.647 11.937 ( 14.147 2.306 -8.096) 16.462 12.578 ( -10.313 4.130 6.490) 12.866 12.892 ( -16.401 -2.955 -10.825) 19.872 13.099 ( 10.684 0.537 15.146) 18.543 13.754 ( 6.568 -0.526 -2.820) 7.167 13.864 ( 4.220 7.849 9.829) 13.267 14.276 ( -14.649 -12.057 -4.256) 19.444 16.656 ( -3.486 3.067 -14.607) 15.327 ======================= Grid point 875 (432/468) ======================= q-point: (-0.09 -0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 468 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 9.400 -0.000 22.950) 24.800 2.339 ( -3.036 0.000 8.685) 9.200 3.055 ( -7.091 0.000 -2.139) 7.407 3.815 ( 8.508 -0.000 -4.055) 9.425 4.026 ( 2.385 -0.000 1.493) 2.813 4.357 ( 8.394 -0.000 -16.745) 18.731 4.821 ( -15.587 0.000 4.005) 16.093 5.039 ( -5.150 0.000 -3.316) 6.125 5.506 ( -3.326 0.000 -3.815) 5.061 5.754 ( -3.795 0.000 0.237) 3.802 6.037 ( -5.301 0.000 -3.463) 6.332 6.349 ( -2.528 0.000 -1.487) 2.933 6.365 ( 6.305 -0.000 5.138) 8.133 6.597 ( -6.403 0.000 -3.612) 7.352 8.068 ( 10.529 -0.000 -3.839) 11.207 8.088 ( 0.636 -0.000 0.558) 0.846 8.758 ( -3.631 0.000 8.188) 8.957 8.987 ( -11.534 0.000 4.375) 12.336 9.161 ( 1.433 -0.000 4.455) 4.680 9.245 ( 17.482 -0.000 -5.255) 18.255 9.659 ( 4.420 -0.000 -5.067) 6.724 9.712 ( -12.681 0.000 -5.515) 13.828 10.180 ( 7.101 -0.000 9.179) 11.605 10.548 ( 3.616 -0.000 -0.889) 3.724 10.653 ( 0.266 -0.000 3.277) 3.288 10.746 ( -4.163 0.000 4.332) 6.008 11.184 ( 10.059 -0.000 13.695) 16.993 11.664 ( 5.170 -0.000 -4.536) 6.878 12.054 ( 18.459 -0.000 -7.015) 19.747 12.472 ( -17.861 0.000 -16.597) 24.382 12.505 ( -13.134 0.000 0.484) 13.143 13.492 ( 10.674 -0.000 22.606) 24.999 13.758 ( -0.223 0.000 -12.934) 12.936 13.948 ( -8.864 0.000 2.453) 9.197 14.097 ( 0.942 -0.000 9.930) 9.974 16.397 ( -5.986 0.000 -19.076) 19.993 ======================= Grid point 876 (433/468) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.500 ( -1.708 0.000 -1.450) 2.241 2.500 ( 1.708 -0.000 1.450) 2.241 3.421 ( -7.199 0.000 -13.969) 15.715 3.421 ( 7.199 -0.000 13.969) 15.715 4.065 ( 12.867 -0.000 -6.642) 14.480 4.065 ( -12.867 0.000 6.642) 14.480 4.785 ( -0.681 0.000 -4.874) 4.921 4.785 ( 0.681 -0.000 4.874) 4.921 5.384 ( 7.250 -0.000 -7.832) 10.672 5.384 ( -7.250 0.000 7.832) 10.672 6.189 ( -1.718 0.000 -3.883) 4.246 6.189 ( 1.718 -0.000 3.883) 4.246 6.490 ( -1.113 0.000 0.164) 1.125 6.490 ( 1.113 -0.000 -0.164) 1.125 8.015 ( 8.957 -0.000 -4.909) 10.214 8.015 ( -8.957 0.000 4.909) 10.214 8.994 ( -1.301 0.000 -3.459) 3.696 8.994 ( 1.301 -0.000 3.459) 3.696 9.273 ( 6.917 -0.000 -3.565) 7.782 9.273 ( -6.917 0.000 3.565) 7.782 9.591 ( 6.385 -0.000 -4.850) 8.018 9.591 ( -6.385 0.000 4.850) 8.018 10.659 ( -1.183 0.000 -0.008) 1.183 10.659 ( 1.183 -0.000 0.008) 1.183 11.040 ( -6.736 0.000 -1.371) 6.874 11.040 ( 6.736 -0.000 1.371) 6.874 11.403 ( 0.436 -0.000 -3.743) 3.768 11.403 ( -0.436 0.000 3.743) 3.768 11.960 ( -2.767 0.000 -10.046) 10.420 11.960 ( 2.767 -0.000 10.046) 10.420 12.600 ( -27.170 0.000 -8.287) 28.406 12.600 ( 27.170 -0.000 8.287) 28.406 14.205 ( -10.963 0.000 1.482) 11.062 14.205 ( 10.963 -0.000 -1.482) 11.062 15.093 ( -9.043 0.000 -29.806) 31.148 15.093 ( 9.043 -0.000 29.806) 31.148 ======================= Grid point 878 (434/468) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( 1.089 -0.048 -2.587) 2.808 2.538 ( 2.100 -0.278 -1.193) 2.431 3.153 ( -8.781 -2.939 -12.070) 15.213 3.643 ( 0.988 -2.525 11.035) 11.363 4.013 ( -13.370 -2.228 10.629) 17.224 4.125 ( 6.225 -1.028 -5.267) 8.219 4.752 ( 4.306 2.075 -1.806) 5.109 4.860 ( 3.995 1.418 3.860) 5.733 5.419 ( 12.254 3.675 -5.381) 13.879 5.456 ( -0.124 -0.313 10.223) 10.229 6.099 ( -1.321 1.595 -4.956) 5.372 6.232 ( 0.502 2.200 3.354) 4.043 6.485 ( 0.227 -0.691 -1.598) 1.756 6.526 ( -0.612 -4.970 1.579) 5.251 7.970 ( -10.595 0.071 7.871) 13.199 8.063 ( 4.147 -0.669 -1.141) 4.353 8.902 ( 0.224 7.346 -5.342) 9.086 9.037 ( 2.829 3.394 2.389) 5.023 9.238 ( -4.448 -1.057 1.870) 4.939 9.282 ( 5.410 5.092 -4.720) 8.802 9.598 ( -5.424 -6.311 2.939) 8.825 9.644 ( 6.787 -6.534 -4.281) 10.348 10.618 ( -3.141 -0.371 -2.296) 3.908 10.630 ( -4.883 0.425 -1.152) 5.035 10.785 ( -2.658 11.493 -12.284) 17.031 11.004 ( -2.278 -13.074 -13.104) 18.650 11.471 ( 0.419 7.472 11.577) 13.785 11.653 ( 6.002 -6.983 13.005) 15.934 11.805 ( -1.197 -0.412 -10.926) 10.999 12.137 ( -3.231 4.190 7.042) 8.808 12.223 ( -11.568 -3.446 2.729) 12.375 13.037 ( 22.974 2.439 11.904) 25.989 14.054 ( -17.417 -1.474 1.568) 17.550 14.285 ( 4.834 -0.983 -3.454) 6.022 14.620 ( -2.266 -0.213 -32.217) 32.298 15.560 ( 11.021 1.631 25.517) 27.844 ======================= Grid point 879 (435/468) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( -2.821 -0.525 -11.690) 12.037 2.515 ( 0.727 -4.168 -4.687) 6.314 3.035 ( -1.068 -3.592 -0.701) 3.812 3.732 ( -7.106 -2.303 4.338) 8.638 4.041 ( -10.294 -3.062 12.668) 16.608 4.141 ( 2.547 -5.175 -0.201) 5.771 4.775 ( 5.071 6.218 0.691) 8.053 4.994 ( 11.054 0.340 3.006) 11.461 5.436 ( 7.448 9.498 -3.702) 12.625 5.614 ( 4.409 1.308 10.396) 11.368 6.028 ( 0.515 1.914 -3.825) 4.308 6.277 ( 2.517 -0.804 1.412) 2.996 6.463 ( 0.611 0.595 -0.854) 1.207 6.577 ( -1.601 -4.562 1.373) 5.026 7.952 ( -9.255 -0.781 8.772) 12.776 8.105 ( 0.259 -3.386 1.219) 3.608 8.758 ( 2.307 10.396 -6.938) 12.710 9.060 ( -5.495 1.742 3.750) 6.876 9.176 ( 2.741 7.298 -3.107) 8.392 9.274 ( 1.860 -4.255 -2.256) 5.163 9.612 ( -1.486 -3.673 -0.949) 4.074 9.753 ( 6.535 -7.256 -1.534) 9.884 10.443 ( -5.603 -0.595 -14.055) 15.142 10.520 ( -6.315 2.707 -2.151) 7.200 10.672 ( 1.711 0.401 0.836) 1.946 10.933 ( -2.847 -8.224 -7.812) 11.695 11.457 ( -8.162 6.159 -5.522) 11.621 11.577 ( -3.789 -3.316 -5.441) 7.413 11.859 ( -16.963 1.163 11.075) 20.292 12.098 ( 15.108 6.919 10.393) 19.599 12.499 ( 11.926 -7.408 10.634) 17.612 13.394 ( 14.023 5.772 12.342) 19.552 13.812 ( -23.439 -2.232 -3.699) 23.834 14.123 ( 2.903 7.123 -21.043) 22.404 14.436 ( 5.745 -11.812 -9.931) 16.467 15.965 ( 10.603 3.352 20.826) 23.609 ======================= Grid point 880 (436/468) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.183 ( -4.850 -7.132 -17.144) 19.191 2.518 ( 1.991 -4.426 -4.502) 6.620 3.098 ( 0.546 -0.499 4.743) 4.800 3.645 ( -8.928 -1.354 -0.393) 9.039 4.090 ( -5.424 -2.888 7.289) 9.534 4.327 ( 0.922 -14.492 10.511) 17.926 4.797 ( 6.229 9.182 1.884) 11.255 5.115 ( 9.109 10.075 -0.875) 13.611 5.397 ( 3.538 5.722 0.961) 6.796 5.773 ( 6.490 1.184 4.889) 8.211 5.949 ( -2.378 5.911 -3.084) 7.079 6.297 ( 1.971 -2.261 -2.519) 3.916 6.540 ( 6.320 1.893 5.863) 8.827 6.583 ( -2.231 -2.450 -1.193) 3.522 7.963 ( -7.179 -1.757 7.067) 10.226 8.167 ( -0.556 -7.468 1.594) 7.657 8.641 ( 4.969 7.921 -5.367) 10.781 8.898 ( -9.659 8.329 -3.450) 13.212 9.176 ( -3.665 -0.921 3.747) 5.321 9.309 ( 2.120 -7.825 -5.730) 9.927 9.637 ( 5.938 0.158 0.760) 5.989 9.888 ( 5.588 -4.568 2.863) 7.765 10.230 ( -5.849 -1.291 -9.918) 11.587 10.396 ( -5.218 1.673 -1.838) 5.780 10.698 ( -2.798 -1.656 -1.341) 3.517 10.887 ( -0.531 -4.578 -4.006) 6.106 11.173 ( -8.409 1.246 -10.008) 13.131 11.552 ( -5.321 -0.619 3.403) 6.346 11.764 ( -7.121 3.044 3.293) 8.415 12.383 ( 15.825 8.601 10.508) 20.853 12.823 ( 11.103 -6.160 7.490) 14.742 13.419 ( -18.585 0.017 -14.149) 23.359 13.582 ( 4.276 5.983 7.057) 10.192 13.904 ( 0.946 5.585 -10.128) 11.605 14.557 ( 6.292 -15.002 -2.585) 16.472 16.281 ( 8.787 4.396 15.715) 18.534 ======================= Grid point 881 (437/468) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.019 ( -1.695 -9.689 -13.730) 16.890 2.521 ( 1.461 -3.357 -3.741) 5.234 3.096 ( -5.543 4.815 2.324) 7.702 3.635 ( 0.191 -8.127 2.893) 8.629 4.129 ( -4.354 -2.048 4.763) 6.770 4.628 ( 0.072 -21.079 11.340) 23.935 4.756 ( 3.667 16.739 -3.696) 17.530 5.097 ( 3.204 7.552 4.596) 9.404 5.427 ( 7.703 11.926 0.023) 14.198 5.775 ( -3.867 3.710 -9.180) 10.629 5.887 ( 1.390 -3.044 3.412) 4.779 6.360 ( 5.546 -0.865 1.332) 5.769 6.538 ( -0.434 4.251 0.766) 4.341 6.669 ( 4.437 -0.533 2.472) 5.107 7.967 ( -3.813 -0.790 2.667) 4.720 8.236 ( -2.250 -8.904 0.090) 9.184 8.625 ( 2.203 6.007 -5.479) 8.424 8.660 ( -4.812 4.796 0.485) 6.811 9.168 ( -5.017 0.411 4.628) 6.838 9.297 ( -0.590 -8.795 -8.861) 12.499 9.775 ( 6.099 -2.874 3.625) 7.655 10.029 ( 3.353 -0.268 5.132) 6.136 10.082 ( -2.437 2.542 -2.035) 4.067 10.348 ( -0.103 -1.993 0.192) 2.005 10.570 ( -8.666 1.027 -4.829) 9.974 10.839 ( -4.317 -1.215 -3.976) 5.993 11.079 ( 2.030 -6.552 -3.831) 7.857 11.511 ( -7.065 2.726 3.517) 8.350 11.722 ( 0.813 2.902 -0.294) 3.028 12.561 ( 10.475 7.323 1.411) 12.858 12.978 ( -7.525 -0.219 -3.625) 8.355 13.129 ( 5.337 -0.569 -2.820) 6.063 13.623 ( -1.208 4.706 2.846) 5.631 13.776 ( -2.273 0.241 -3.925) 4.542 14.743 ( 5.325 -11.328 1.006) 12.557 16.498 ( 5.905 3.913 9.969) 12.229 ======================= Grid point 882 (438/468) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -0.019 -4.674 -5.295) 7.063 2.520 ( 0.541 -1.238 -1.452) 1.983 3.004 ( -3.565 2.932 0.340) 4.628 3.799 ( 3.802 -7.623 3.700) 9.287 4.118 ( -3.983 0.586 0.962) 4.139 4.584 ( 0.243 10.148 -3.803) 10.840 4.944 ( -0.361 -23.679 7.498) 24.841 5.149 ( 1.253 11.067 4.649) 12.069 5.361 ( 5.218 13.974 -1.630) 15.005 5.599 ( -2.915 -0.833 -7.510) 8.099 5.957 ( 0.186 -2.281 1.577) 2.779 6.401 ( 0.377 -0.680 -1.357) 1.564 6.579 ( 3.240 2.222 5.265) 6.569 6.709 ( 1.302 0.224 -1.617) 2.088 7.951 ( -0.927 0.287 -0.209) 0.993 8.285 ( -1.393 -9.324 0.409) 9.436 8.418 ( -4.275 9.843 -2.807) 11.092 8.726 ( 2.889 -1.230 1.076) 3.320 9.183 ( -1.449 3.639 7.221) 8.215 9.240 ( -1.014 -7.388 -9.095) 11.761 9.829 ( -0.030 0.691 -0.699) 0.983 10.065 ( 1.130 -0.039 1.380) 1.784 10.136 ( 0.768 -1.774 5.444) 5.777 10.331 ( -0.365 4.235 -6.170) 7.493 10.506 ( -0.124 -3.433 4.682) 5.807 10.756 ( -3.607 0.302 -0.773) 3.701 11.131 ( 2.306 -6.224 -3.199) 7.368 11.432 ( -4.391 3.521 1.241) 5.764 11.703 ( 1.506 2.293 -1.517) 3.135 12.566 ( 1.768 2.399 -2.871) 4.138 12.838 ( -3.036 0.160 -1.704) 3.485 13.261 ( 6.617 1.208 3.671) 7.663 13.538 ( -4.082 1.431 -3.077) 5.309 13.762 ( -0.450 -1.151 0.878) 1.516 14.872 ( 1.981 -4.120 0.814) 4.643 16.609 ( 2.102 1.594 3.449) 4.342 ======================= Grid point 889 (439/468) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -6.324 0.000 -15.523) 16.762 2.458 ( 2.655 -0.000 -4.220) 4.985 3.007 ( 0.946 -0.000 0.463) 1.053 3.710 ( -5.794 0.000 6.731) 8.881 4.018 ( -11.822 0.000 16.638) 20.410 4.090 ( 0.045 -0.000 -5.342) 5.342 4.859 ( 11.107 -0.000 0.198) 11.109 4.958 ( 5.003 -0.000 3.782) 6.271 5.536 ( 10.381 -0.000 -4.792) 11.434 5.630 ( 5.680 -0.000 11.420) 12.755 6.030 ( 0.110 -0.000 -3.576) 3.577 6.291 ( 1.390 -0.000 3.780) 4.028 6.456 ( -3.244 0.000 -3.400) 4.699 6.535 ( 3.392 -0.000 2.870) 4.444 7.943 ( -9.822 0.000 8.148) 12.762 8.076 ( -0.763 0.000 0.684) 1.025 8.873 ( -1.169 0.000 -4.219) 4.378 9.072 ( -7.595 0.000 5.247) 9.231 9.188 ( 4.648 -0.000 -7.561) 8.875 9.300 ( 4.648 -0.000 -7.958) 9.216 9.556 ( -4.495 0.000 5.424) 7.044 9.684 ( 10.349 -0.000 -1.713) 10.490 10.432 ( -6.981 0.000 -15.042) 16.583 10.549 ( -4.932 0.000 -0.866) 5.007 10.708 ( -2.902 0.000 -4.195) 5.101 10.830 ( 3.076 -0.000 -4.449) 5.409 11.505 ( -9.189 0.000 -18.204) 20.392 11.558 ( -5.104 0.000 6.243) 8.064 11.863 ( -16.674 0.000 14.509) 22.103 12.178 ( 16.671 -0.000 10.842) 19.886 12.415 ( 10.465 -0.000 9.807) 14.342 13.448 ( 13.849 -0.000 13.285) 19.191 13.792 ( -22.779 0.000 -3.178) 23.000 14.256 ( -0.327 0.000 -5.898) 5.907 14.257 ( 9.687 -0.000 -28.589) 30.186 15.995 ( 9.849 -0.000 21.779) 23.903 ======================= Grid point 890 (440/468) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( -5.672 -2.754 -20.278) 21.236 2.444 ( 3.139 -2.960 -6.033) 7.417 3.097 ( 3.600 -0.071 5.915) 6.925 3.664 ( -9.236 2.753 2.609) 9.984 4.037 ( -3.645 -4.132 0.519) 5.534 4.129 ( -7.801 -5.664 15.584) 18.324 4.960 ( 10.328 9.391 1.858) 14.082 5.131 ( 10.051 -6.252 2.330) 12.064 5.515 ( 0.778 6.068 -4.338) 7.499 5.800 ( 5.383 0.724 2.479) 5.971 6.047 ( 1.629 4.390 2.410) 5.266 6.308 ( 1.520 3.696 -1.596) 4.304 6.429 ( 0.771 -8.262 0.766) 8.333 6.637 ( 6.066 2.467 4.780) 8.107 7.924 ( -8.205 -1.651 5.501) 10.015 8.076 ( -2.608 -2.968 1.361) 4.179 8.775 ( -1.324 6.062 -3.358) 7.055 8.986 ( -14.717 1.399 4.068) 15.333 9.174 ( 5.239 -2.275 -7.003) 9.037 9.220 ( 2.371 0.568 -8.685) 9.021 9.609 ( 1.054 -2.482 3.691) 4.571 9.836 ( 10.812 -1.361 2.940) 11.287 10.179 ( -6.331 -2.520 -10.839) 12.803 10.474 ( -3.876 4.597 -0.216) 6.017 10.667 ( -1.129 -1.648 -1.190) 2.325 10.828 ( 1.809 -2.122 -3.712) 4.643 11.161 ( -11.533 -1.336 -14.402) 18.499 11.570 ( -2.914 1.455 5.464) 6.361 11.791 ( -12.054 0.511 6.625) 13.764 12.538 ( 16.634 9.198 11.008) 21.965 12.696 ( 12.740 -8.359 8.301) 17.352 13.408 ( -21.604 -0.699 -11.150) 24.321 13.661 ( 2.055 2.566 5.208) 6.159 14.049 ( 2.456 10.851 -11.188) 15.778 14.298 ( 11.279 -14.365 -7.231) 19.643 16.340 ( 7.039 1.956 17.605) 19.061 ======================= Grid point 891 (441/468) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 2.654 -5.907 -15.397) 16.704 2.439 ( 2.987 -4.818 -6.142) 8.359 3.197 ( 0.191 3.653 6.530) 7.485 3.545 ( -6.210 0.972 0.644) 6.319 4.066 ( -5.898 -7.135 4.174) 10.154 4.309 ( -5.089 -13.183 12.954) 19.170 5.013 ( 8.369 12.904 -0.241) 15.382 5.245 ( 4.088 6.250 -1.632) 7.645 5.480 ( 5.235 -2.180 1.978) 6.006 5.818 ( -1.809 0.441 -8.026) 8.239 5.906 ( -3.703 4.106 -4.024) 6.839 6.409 ( 9.516 5.501 4.492) 11.874 6.512 ( 2.067 -4.112 0.819) 4.674 6.744 ( 5.051 5.695 5.781) 9.558 7.904 ( -6.843 -4.576 2.335) 8.557 8.100 ( -2.845 -6.852 0.681) 7.451 8.692 ( 0.756 4.272 -1.304) 4.530 8.793 ( -11.682 6.781 -0.931) 13.539 9.154 ( -1.584 -4.219 -4.230) 6.181 9.184 ( 2.203 -1.661 -2.393) 3.652 9.708 ( 3.305 -3.938 3.317) 6.119 10.021 ( 3.045 -3.056 3.242) 5.397 10.080 ( 3.165 -0.100 0.747) 3.253 10.384 ( -1.944 5.895 0.762) 6.254 10.595 ( -7.120 1.299 -3.703) 8.130 10.807 ( -1.010 -1.848 -4.224) 4.720 10.957 ( -1.665 -7.392 -8.641) 11.493 11.582 ( -2.786 5.072 5.036) 7.672 11.749 ( -4.249 -0.049 3.791) 5.694 12.684 ( 9.231 6.280 -2.006) 11.343 12.973 ( -6.109 0.389 -0.493) 6.141 13.089 ( 4.284 -3.920 -1.422) 5.978 13.682 ( -1.751 1.526 3.125) 3.894 13.822 ( -4.515 5.224 -10.936) 12.934 14.539 ( 13.001 -11.250 0.263) 17.195 16.569 ( 2.951 3.627 12.741) 13.572 ======================= Grid point 892 (442/468) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 10.471 -3.531 -5.053) 12.151 2.447 ( 2.102 -5.481 -4.716) 7.530 3.159 ( -3.605 12.672 4.645) 13.970 3.596 ( 0.931 -12.103 3.446) 12.618 4.085 ( -7.962 -4.854 4.118) 10.193 4.543 ( -2.633 -20.823 8.592) 22.679 4.848 ( -1.067 17.255 -8.327) 19.188 5.281 ( 4.734 6.532 6.412) 10.305 5.545 ( -9.233 0.400 -14.474) 17.172 5.599 ( 10.051 2.603 -3.226) 10.872 5.919 ( 2.241 -1.167 2.074) 3.269 6.415 ( 2.191 3.953 -4.560) 6.420 6.610 ( 2.295 2.347 5.364) 6.289 6.793 ( 1.257 6.619 3.905) 7.787 7.888 ( -4.524 -5.890 -0.988) 7.492 8.132 ( -2.759 -8.952 0.553) 9.384 8.593 ( -3.693 9.868 -2.247) 10.773 8.705 ( -0.025 -0.694 2.991) 3.070 9.119 ( -0.443 -6.397 -6.142) 8.880 9.238 ( 1.266 2.592 8.402) 8.883 9.814 ( 0.856 -3.160 2.550) 4.150 10.032 ( 0.782 -3.324 -2.408) 4.178 10.152 ( -0.926 4.261 2.680) 5.119 10.396 ( 1.557 2.731 -4.016) 5.100 10.484 ( -0.046 1.058 7.692) 7.765 10.749 ( -1.966 -0.934 -2.398) 3.238 10.981 ( 3.906 -10.338 -3.650) 11.639 11.528 ( -5.094 7.282 3.376) 9.506 11.747 ( 0.221 1.798 -1.151) 2.146 12.610 ( -0.929 2.635 -7.328) 7.843 12.824 ( -4.754 -1.395 -1.197) 5.097 13.286 ( 8.364 1.619 3.100) 9.065 13.568 ( -5.978 1.875 -7.365) 9.670 13.732 ( 1.088 -2.040 0.429) 2.351 14.769 ( 9.275 -6.993 0.827) 11.645 16.664 ( -2.041 4.162 6.881) 8.297 ======================= Grid point 893 (443/468) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 11.641 4.102 5.158) 13.378 2.470 ( 2.026 -5.421 -2.857) 6.454 3.088 ( 0.786 11.182 4.610) 12.120 3.753 ( -2.751 -11.801 1.862) 12.260 4.067 ( -5.111 -4.470 2.356) 7.187 4.597 ( -2.182 8.396 -6.073) 10.589 4.814 ( 1.250 -21.085 4.861) 21.674 5.218 ( -6.436 -4.231 -17.347) 18.980 5.333 ( -0.566 16.672 1.783) 16.777 5.625 ( 5.746 3.204 0.224) 6.582 5.978 ( 2.123 0.251 0.808) 2.286 6.377 ( 1.192 -2.122 -2.222) 3.296 6.590 ( -5.317 4.046 -1.697) 6.894 6.776 ( -2.398 5.615 3.922) 7.257 7.875 ( -2.772 -7.053 -1.877) 7.807 8.241 ( 3.017 -10.317 4.001) 11.469 8.473 ( 2.073 11.250 -1.136) 11.495 8.732 ( -3.477 -0.609 1.787) 3.957 9.112 ( 1.812 -4.551 -3.520) 6.032 9.365 ( 2.657 6.790 12.718) 14.660 9.829 ( -0.365 0.725 0.287) 0.861 10.022 ( -0.209 -4.009 -5.803) 7.057 10.166 ( -1.113 -0.023 1.882) 2.187 10.297 ( -0.650 1.747 -1.649) 2.488 10.575 ( 3.664 3.776 -0.836) 5.327 10.741 ( 3.376 -1.157 -0.679) 3.633 11.143 ( 5.503 -5.751 6.364) 10.191 11.435 ( -4.357 4.627 0.721) 6.397 11.699 ( -1.115 1.851 -0.833) 2.316 12.533 ( -4.115 -1.418 -0.660) 4.403 12.815 ( 0.803 -2.401 1.914) 3.173 13.243 ( -7.100 -1.052 -6.206) 9.488 13.528 ( 4.942 0.502 0.181) 4.971 13.766 ( 2.459 -0.730 -1.286) 2.869 14.895 ( 5.377 -1.180 -1.182) 5.631 16.621 ( -7.035 2.800 0.327) 7.579 ======================= Grid point 894 (444/468) ======================= q-point: ( 0.55 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.190 ( 6.344 9.609 10.926) 15.873 2.521 ( 3.616 -2.806 -0.720) 4.633 3.108 ( 5.381 6.389 3.415) 9.024 3.716 ( -6.814 -0.476 -1.813) 7.067 4.125 ( 0.810 -5.240 0.617) 5.338 4.523 ( -2.134 -6.092 0.207) 6.458 4.892 ( -0.811 3.692 -19.391) 19.756 5.065 ( -1.964 -8.553 0.298) 8.781 5.161 ( -5.135 1.022 -1.660) 5.493 5.722 ( 2.073 -2.566 5.934) 6.789 5.963 ( -0.205 4.590 -2.592) 5.275 6.411 ( 0.800 -3.336 -0.151) 3.433 6.432 ( -6.469 2.040 -2.911) 7.382 6.731 ( -3.426 4.481 1.438) 5.821 7.898 ( -0.599 -7.955 -1.813) 8.181 8.411 ( 4.855 11.002 -1.450) 12.112 8.464 ( 5.382 -10.133 7.531) 13.724 8.656 ( -7.939 1.280 -0.416) 8.052 9.154 ( 6.210 -1.550 -2.120) 6.743 9.459 ( 0.792 10.156 9.577) 13.981 9.803 ( -5.065 1.229 -5.121) 7.307 10.003 ( 3.237 -4.844 0.562) 5.853 10.078 ( -0.895 4.321 -4.755) 6.487 10.360 ( 0.217 -2.294 4.694) 5.229 10.590 ( 8.396 3.470 1.054) 9.145 10.831 ( 6.680 -1.982 2.620) 7.444 11.196 ( -2.618 7.720 -0.253) 8.156 11.457 ( 5.751 -5.650 0.603) 8.084 11.689 ( -2.942 0.768 4.077) 5.086 12.451 ( -10.320 -5.314 -4.217) 12.350 12.956 ( 4.489 -3.317 7.364) 9.240 13.113 ( -5.956 -2.183 1.479) 6.513 13.565 ( 1.967 -1.351 -3.701) 4.404 13.784 ( 4.319 0.516 -1.437) 4.581 14.893 ( 1.779 5.725 -2.941) 6.678 16.460 ( -10.837 -0.211 -6.130) 12.452 ======================= Grid point 895 (445/468) ======================= q-point: (-0.36 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( 2.837 6.880 11.537) 13.729 2.567 ( 2.192 1.700 0.828) 2.895 3.145 ( 3.117 5.535 0.364) 6.363 3.674 ( 2.793 0.388 1.273) 3.094 4.147 ( 3.055 2.622 -1.592) 4.330 4.515 ( -2.187 2.044 -16.613) 16.880 4.640 ( -7.108 -7.077 0.990) 10.079 4.971 ( -5.931 0.637 -0.207) 5.969 5.238 ( -0.542 -13.702 -3.133) 14.066 5.790 ( -7.720 0.019 -1.422) 7.849 5.876 ( 3.234 0.221 0.214) 3.249 6.364 ( -0.453 4.547 3.984) 6.062 6.434 ( -2.685 -6.612 -3.613) 7.999 6.670 ( -0.441 4.748 0.522) 4.797 7.933 ( 3.065 -5.874 -4.994) 8.297 8.325 ( -0.528 10.561 -3.087) 11.015 8.549 ( -8.021 -2.216 5.582) 10.020 8.738 ( 7.666 -9.704 5.045) 13.356 9.215 ( 8.657 2.736 -5.288) 10.507 9.439 ( -4.369 7.095 1.819) 8.528 9.621 ( -7.378 -0.478 -1.589) 7.562 9.976 ( -0.285 5.552 -2.803) 6.225 10.198 ( 6.658 -3.244 9.426) 11.988 10.428 ( 3.824 2.516 3.841) 5.975 10.719 ( 6.793 0.872 2.172) 7.185 10.978 ( 2.458 4.662 7.386) 9.073 11.117 ( 4.765 -3.104 -0.952) 5.766 11.586 ( 10.146 0.467 -0.770) 10.185 11.699 ( -3.170 -2.293 3.490) 5.243 12.255 ( -13.549 -6.206 -10.389) 18.166 12.892 ( -10.563 1.488 -4.641) 11.632 13.372 ( 8.277 -6.293 14.782) 18.072 13.506 ( -0.484 -1.526 -3.714) 4.045 13.854 ( 5.763 -0.838 2.465) 6.324 14.785 ( -1.484 11.069 -2.210) 11.384 16.211 ( -12.821 -3.183 -12.126) 17.932 ======================= Grid point 896 (446/468) ======================= q-point: (-0.27 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 0.411 1.463 7.881) 8.026 2.569 ( 0.015 2.313 0.500) 2.366 3.134 ( 3.548 7.709 3.461) 9.165 3.762 ( 6.385 0.197 -0.617) 6.418 4.133 ( 8.675 7.577 -6.103) 13.035 4.235 ( -5.605 5.263 -7.209) 10.539 4.667 ( -4.397 -8.636 0.347) 9.697 4.907 ( -10.762 -6.117 -0.335) 12.383 5.280 ( -1.330 -8.634 -1.376) 8.844 5.616 ( -5.451 1.924 -7.174) 9.213 5.961 ( 0.514 -4.566 3.002) 5.488 6.315 ( -5.559 1.517 -3.544) 6.764 6.451 ( 1.917 0.271 4.937) 5.303 6.656 ( 2.710 4.161 -0.617) 5.004 7.945 ( 6.584 -2.580 -8.052) 10.716 8.186 ( -3.681 5.743 -2.200) 7.167 8.602 ( -3.552 -6.091 7.820) 10.529 8.963 ( 6.004 -9.088 3.929) 11.579 9.115 ( -3.929 1.525 -8.941) 9.884 9.350 ( -2.191 3.499 -1.351) 4.344 9.644 ( 2.047 0.128 6.386) 6.708 9.895 ( -1.274 8.735 0.950) 8.879 10.407 ( 2.879 -3.820 8.873) 10.081 10.524 ( 6.984 2.337 4.171) 8.463 10.702 ( -2.831 3.229 -3.065) 5.276 11.069 ( 7.733 7.360 10.179) 14.751 11.321 ( 7.104 -8.949 1.541) 11.529 11.659 ( -0.876 5.544 9.606) 11.126 11.795 ( 14.814 -6.467 -5.165) 16.969 11.998 ( -11.126 -4.124 -10.834) 16.068 12.619 ( -12.957 5.848 -9.771) 17.250 13.281 ( -12.871 -6.546 -11.945) 18.740 13.851 ( 21.900 1.087 10.461) 24.294 14.012 ( 0.452 -5.022 15.116) 15.935 14.643 ( -4.146 11.764 2.255) 12.675 15.894 ( -13.301 -4.441 -17.847) 22.697 ======================= Grid point 897 (447/468) ======================= q-point: (-0.18 0.09 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -1.354 0.192 3.249) 3.525 2.544 ( -1.626 0.454 -1.170) 2.054 3.238 ( 8.858 6.275 10.129) 14.847 3.703 ( -2.982 3.215 -9.859) 10.790 4.092 ( 11.478 6.829 -6.985) 15.072 4.168 ( -2.579 4.589 4.722) 7.071 4.688 ( -1.386 -6.085 -1.017) 6.323 4.793 ( -10.425 -5.874 -1.813) 12.103 5.330 ( -5.384 -5.768 5.308) 9.509 5.463 ( 0.033 0.916 -9.814) 9.857 6.041 ( -0.895 -4.581 4.765) 6.671 6.197 ( -2.941 -1.360 -5.027) 5.981 6.529 ( 1.012 3.500 5.745) 6.803 6.624 ( 2.342 5.635 -3.048) 6.821 7.962 ( 8.730 -1.186 -6.696) 11.066 8.084 ( -5.035 1.763 -0.582) 5.367 8.740 ( -0.895 -9.100 7.656) 11.926 8.965 ( -5.342 -3.816 -5.707) 8.699 9.140 ( 3.718 -7.926 2.394) 9.077 9.278 ( -2.044 1.067 -2.256) 3.226 9.728 ( 5.517 6.959 1.705) 9.042 9.809 ( -4.112 11.101 3.880) 12.457 10.558 ( -0.793 -6.691 5.562) 8.738 10.618 ( -0.089 -3.072 -2.822) 4.172 10.690 ( 9.478 1.974 7.973) 12.542 11.192 ( -2.943 6.131 3.341) 7.577 11.373 ( 3.638 -0.896 0.184) 3.751 11.742 ( -3.222 2.125 2.206) 4.446 11.822 ( 1.603 1.343 -1.088) 2.358 12.050 ( 14.657 -5.399 -1.580) 15.700 12.296 ( -3.163 4.981 -7.732) 9.726 12.966 ( -20.788 -5.217 -12.171) 24.647 14.099 ( 16.557 3.458 -0.957) 16.942 14.291 ( -0.969 -1.301 9.313) 9.453 14.645 ( 0.497 3.432 21.992) 22.263 15.510 ( -12.525 -3.874 -23.376) 26.801 ======================= Grid point 898 (448/468) ======================= q-point: (-0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -1.001 0.151 -1.953) 2.200 2.501 ( 1.001 0.151 1.953) 2.200 3.457 ( -7.913 3.594 -12.703) 15.392 3.457 ( 7.913 3.594 12.703) 15.392 4.107 ( 9.717 5.079 -5.229) 12.147 4.107 ( -9.717 5.079 5.229) 12.147 4.743 ( -1.829 -5.101 -2.732) 6.068 4.743 ( 1.829 -5.101 2.732) 6.068 5.374 ( 5.613 -0.966 -8.978) 10.632 5.374 ( -5.613 -0.966 8.978) 10.632 6.142 ( -0.679 -4.296 -4.948) 6.588 6.142 ( 0.679 -4.296 4.948) 6.588 6.549 ( 0.577 5.566 -3.599) 6.653 6.549 ( -0.577 5.566 3.599) 6.653 8.013 ( 6.794 -0.232 -4.410) 8.103 8.013 ( -6.794 -0.232 4.410) 8.103 8.905 ( 0.288 -8.100 -6.640) 10.478 8.905 ( -0.288 -8.100 6.640) 10.478 9.242 ( 4.101 -3.141 -4.886) 7.110 9.242 ( -4.101 -3.141 4.886) 7.110 9.701 ( 6.470 10.486 -5.349) 13.433 9.701 ( -6.470 10.486 5.349) 13.433 10.631 ( 1.824 -3.699 -2.005) 4.586 10.631 ( -1.824 -3.699 2.005) 4.586 10.981 ( -10.724 -4.067 -13.027) 17.357 10.981 ( 10.724 -4.067 13.027) 17.357 11.513 ( -4.893 10.168 -13.845) 17.861 11.513 ( 4.893 10.168 13.845) 17.861 11.949 ( -2.264 -1.335 -10.274) 10.605 11.949 ( 2.264 -1.335 10.274) 10.605 12.572 ( -24.099 -2.970 -9.692) 26.144 12.572 ( 24.099 -2.970 9.692) 26.144 14.231 ( -10.387 2.749 0.797) 10.774 14.231 ( 10.387 2.749 -0.797) 10.774 15.072 ( -8.969 -2.276 -28.911) 30.356 15.072 ( 8.969 -2.276 28.911) 30.356 ======================= Grid point 902 (449/468) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( 4.395 -0.000 -15.960) 16.554 2.393 ( 3.593 -0.000 -6.537) 7.459 3.209 ( 2.266 -0.000 5.642) 6.080 3.619 ( -7.479 0.000 3.598) 8.300 3.936 ( -4.327 0.000 -2.094) 4.807 4.215 ( -10.237 0.000 18.098) 20.793 5.200 ( 5.593 -0.000 -1.599) 5.817 5.208 ( 16.476 -0.000 0.287) 16.478 5.475 ( -4.304 0.000 1.567) 4.580 5.818 ( 0.062 -0.000 -7.621) 7.621 5.949 ( -8.598 0.000 -8.869) 12.353 6.462 ( 5.013 -0.000 0.692) 5.060 6.477 ( 13.582 -0.000 8.264) 15.899 6.797 ( 4.851 -0.000 5.809) 7.568 7.860 ( -7.408 0.000 1.757) 7.614 8.033 ( -4.893 0.000 1.440) 5.101 8.743 ( -3.247 0.000 -0.659) 3.313 8.846 ( -12.894 0.000 1.212) 12.951 9.117 ( 0.979 -0.000 -9.796) 9.844 9.171 ( 4.435 -0.000 -0.773) 4.502 9.671 ( 2.211 -0.000 4.255) 4.795 9.975 ( 0.027 -0.000 -0.205) 0.207 10.088 ( 7.981 -0.000 5.058) 9.449 10.459 ( -3.638 0.000 0.975) 3.767 10.604 ( -4.720 0.000 -2.838) 5.507 10.790 ( 0.582 -0.000 -4.107) 4.148 10.876 ( -4.385 0.000 -11.196) 12.025 11.641 ( 2.402 -0.000 4.178) 4.819 11.737 ( -9.551 0.000 6.313) 11.448 12.744 ( 6.760 -0.000 -4.179) 7.948 13.011 ( -16.953 0.000 -11.053) 20.238 13.014 ( 17.582 -0.000 12.059) 21.320 13.692 ( -1.153 0.000 1.015) 1.536 13.887 ( -9.803 0.000 -12.501) 15.887 14.425 ( 18.966 -0.000 0.888) 18.987 16.603 ( 2.041 -0.000 13.728) 13.879 ======================= Grid point 903 (450/468) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( 16.414 -1.237 -4.569) 17.083 2.374 ( 3.472 -2.407 -5.173) 6.679 3.297 ( 0.669 0.123 5.143) 5.188 3.545 ( -3.381 8.557 3.266) 9.763 3.920 ( -6.350 -12.856 0.371) 14.343 4.312 ( -9.637 -5.595 13.862) 17.786 5.095 ( -2.709 9.646 -8.045) 12.850 5.394 ( 11.183 6.046 1.460) 12.796 5.494 ( -11.491 -3.334 -18.038) 21.646 5.563 ( 4.500 -5.437 3.700) 7.969 5.918 ( 4.767 0.284 -0.586) 4.811 6.499 ( 4.490 3.397 -3.668) 6.719 6.677 ( 7.736 4.392 2.589) 9.265 6.867 ( -1.832 1.532 3.435) 4.184 7.814 ( -5.145 -1.881 2.523) 6.031 7.991 ( -7.404 -6.029 1.035) 9.604 8.706 ( -1.297 1.109 1.085) 2.023 8.722 ( -5.150 3.506 0.030) 6.230 9.039 ( 0.874 -2.396 -5.642) 6.192 9.266 ( 3.963 0.571 7.953) 8.904 9.757 ( 1.060 -2.168 4.307) 4.937 9.969 ( 1.761 -2.791 -2.851) 4.361 10.250 ( -0.107 4.838 3.885) 6.206 10.425 ( -0.706 0.946 0.064) 1.183 10.518 ( -2.186 1.684 6.220) 6.805 10.736 ( -0.001 0.010 -3.817) 3.817 10.817 ( 5.176 -7.302 -6.287) 10.938 11.655 ( -2.367 6.743 2.383) 7.534 11.742 ( -2.300 -2.620 2.325) 4.190 12.646 ( -2.875 1.213 -10.766) 11.209 12.802 ( -5.526 -0.832 -1.188) 5.714 13.309 ( 10.136 0.889 4.497) 11.125 13.594 ( -8.325 0.865 -11.137) 13.932 13.702 ( 1.576 -1.127 -0.395) 1.977 14.672 ( 14.175 -3.422 1.505) 14.660 16.723 ( -4.125 2.078 8.814) 9.951 ======================= Grid point 904 (451/468) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( 20.292 2.322 4.925) 21.010 2.389 ( 3.420 -3.402 -3.297) 5.843 3.311 ( -0.628 11.349 5.281) 12.533 3.550 ( -0.557 -6.301 2.624) 6.848 3.955 ( -8.501 -10.053 3.002) 13.503 4.435 ( -5.082 -15.335 6.547) 17.432 4.836 ( -4.286 12.055 -8.038) 15.110 5.141 ( -8.290 -5.384 -18.280) 20.782 5.513 ( 2.947 6.573 6.596) 9.767 5.683 ( 8.739 0.384 -5.619) 10.396 5.982 ( 4.655 0.676 1.329) 4.887 6.414 ( 1.326 7.179 -5.957) 9.423 6.673 ( -4.606 4.504 0.887) 6.503 6.830 ( -4.763 -0.693 -0.883) 4.893 7.786 ( -4.679 -1.254 0.381) 4.859 8.049 ( -0.681 -11.910 5.253) 13.034 8.650 ( 1.220 8.251 0.141) 8.341 8.717 ( -1.452 -0.499 1.995) 2.518 9.039 ( 1.866 -3.579 -1.265) 4.229 9.454 ( 5.650 3.345 14.345) 15.776 9.821 ( -1.293 -2.032 2.420) 3.414 9.958 ( 1.447 -3.023 -6.955) 7.720 10.190 ( -1.859 4.201 2.984) 5.478 10.356 ( -1.659 3.551 -4.410) 5.900 10.619 ( 6.019 1.232 -1.697) 6.374 10.724 ( 2.143 -0.710 -0.358) 2.286 10.989 ( 6.317 -9.906 10.126) 15.511 11.550 ( -3.960 7.130 -3.569) 8.903 11.736 ( -2.461 1.560 2.730) 3.993 12.516 ( -5.565 -0.546 -2.844) 6.274 12.767 ( -0.937 -2.683 0.867) 2.971 13.224 ( -9.501 -1.025 -8.727) 12.942 13.554 ( 7.650 2.236 -0.838) 8.014 13.738 ( 4.044 -2.244 -2.213) 5.127 14.856 ( 10.422 -2.539 -1.046) 10.778 16.681 ( -10.536 3.383 2.991) 11.463 ======================= Grid point 905 (452/468) ======================= q-point: ( 0.45 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.323 ( 6.954 5.507 6.269) 10.862 2.472 ( 12.581 -1.918 -0.947) 12.761 3.278 ( 2.339 11.966 4.874) 13.130 3.614 ( -6.602 -9.438 1.897) 11.673 3.973 ( -6.653 -9.064 4.177) 11.995 4.514 ( -2.662 -2.760 -3.663) 5.303 4.745 ( 1.769 -13.625 -1.299) 13.800 4.895 ( -2.281 -0.340 -14.110) 14.298 5.429 ( -7.465 15.075 -2.324) 16.982 5.698 ( 5.167 0.114 -1.569) 5.401 6.027 ( 2.888 3.119 -0.475) 4.277 6.340 ( 0.658 -0.737 -3.224) 3.372 6.530 ( -7.606 5.579 -1.318) 9.524 6.774 ( -4.688 -0.914 0.167) 4.779 7.764 ( -3.417 -5.529 0.273) 6.506 8.267 ( 4.519 -11.860 7.557) 14.772 8.608 ( 3.146 9.354 0.724) 9.895 8.680 ( -5.118 2.494 -0.952) 5.773 9.111 ( 4.702 -3.166 1.394) 5.838 9.627 ( 0.644 8.637 10.489) 13.603 9.834 ( -0.465 1.989 -5.942) 6.284 9.922 ( 4.493 -4.398 0.920) 6.354 10.162 ( -1.006 5.083 -3.553) 6.283 10.308 ( 0.704 -1.838 4.489) 4.902 10.638 ( 8.559 0.936 -4.958) 9.936 10.795 ( 5.164 -1.707 2.660) 6.054 11.279 ( 5.956 -6.710 9.266) 12.897 11.369 ( -6.086 4.729 -5.705) 9.590 11.746 ( -1.907 4.544 6.488) 8.148 12.383 ( -10.161 -2.792 -5.823) 12.039 12.869 ( -0.362 -6.215 8.095) 10.212 13.066 ( -6.104 -2.866 -0.275) 6.749 13.579 ( 4.994 2.625 -5.021) 7.553 13.780 ( 6.516 -1.176 -3.662) 7.567 14.942 ( 7.566 0.664 -4.517) 8.836 16.488 ( -15.766 2.900 -2.772) 16.269 ======================= Grid point 906 (453/468) ======================= q-point: ( 0.55 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.385 ( 0.882 1.850 4.007) 4.500 2.607 ( 8.552 3.072 -1.288) 9.178 3.280 ( 3.526 9.598 3.199) 10.714 3.631 ( -4.041 -5.329 4.363) 7.985 4.065 ( -3.572 -12.748 5.300) 14.260 4.455 ( 0.244 0.204 -3.770) 3.783 4.634 ( -4.349 1.160 -14.171) 14.868 4.975 ( 6.559 -14.929 -1.511) 16.376 5.136 ( -9.704 13.680 -3.004) 17.039 5.736 ( -3.033 -3.452 0.676) 4.645 5.967 ( 1.002 7.262 -4.118) 8.408 6.337 ( 0.371 -3.838 -2.159) 4.419 6.435 ( -1.435 2.946 1.290) 3.522 6.728 ( -3.483 1.199 1.240) 3.887 7.798 ( -1.120 -7.961 -0.047) 8.039 8.450 ( -7.119 -0.395 2.975) 7.726 8.572 ( 0.513 -0.261 -0.793) 0.980 8.616 ( 6.473 3.730 3.910) 8.432 9.231 ( 8.249 -1.317 0.478) 8.367 9.559 ( -7.487 7.489 -7.982) 13.261 9.650 ( -3.282 3.602 -1.862) 5.217 10.076 ( 1.464 5.497 -2.199) 6.098 10.148 ( 8.755 -1.965 9.677) 13.196 10.429 ( 2.232 -2.177 6.529) 7.236 10.726 ( 10.416 -0.614 -0.831) 10.467 10.956 ( 7.361 -4.805 6.258) 10.790 11.177 ( -3.757 7.550 -3.829) 9.262 11.497 ( 6.101 -7.458 3.646) 10.302 11.748 ( -3.560 5.188 6.179) 8.819 12.172 ( -11.410 -3.590 -9.907) 15.531 12.872 ( -11.736 -3.466 -0.462) 12.246 13.233 ( 1.547 -8.877 12.860) 15.703 13.527 ( 4.015 3.344 -2.937) 5.994 13.852 ( 10.602 0.001 -2.059) 10.800 14.922 ( 4.528 4.972 -6.811) 9.572 16.188 ( -18.582 0.514 -7.840) 20.175 ======================= Grid point 907 (454/468) ======================= q-point: ( 0.64 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 0.302 -0.301 3.427) 3.454 2.606 ( 1.018 1.928 -3.212) 3.882 3.282 ( 3.404 9.101 4.237) 10.601 3.717 ( 1.240 -5.339 2.390) 5.979 4.214 ( 2.690 -5.441 5.674) 8.309 4.324 ( -2.226 5.508 -11.398) 12.853 4.482 ( -4.932 -3.902 -0.659) 6.323 4.909 ( -7.169 3.622 -4.404) 9.160 5.131 ( 4.507 -7.853 -0.826) 9.092 5.647 ( -8.491 0.377 -3.799) 9.310 5.927 ( 3.793 1.853 -0.576) 4.260 6.305 ( -4.270 -1.742 -4.218) 6.249 6.471 ( 3.409 0.861 4.399) 5.632 6.709 ( -0.512 1.656 1.487) 2.284 7.857 ( 1.777 -6.683 -1.485) 7.073 8.281 ( -9.564 4.758 -2.000) 10.868 8.585 ( 2.906 3.624 1.882) 5.012 8.816 ( 5.788 -7.076 6.580) 11.263 9.188 ( -2.406 6.493 -13.461) 15.137 9.383 ( -3.556 0.190 0.217) 3.568 9.634 ( 2.053 -0.431 4.377) 4.854 10.035 ( 1.359 6.798 0.284) 6.939 10.346 ( 4.576 -2.753 5.171) 7.433 10.551 ( 4.262 0.218 5.201) 6.728 10.770 ( -1.061 4.418 -2.690) 5.281 11.143 ( 9.139 -4.666 -0.521) 10.275 11.201 ( 6.248 0.748 11.913) 13.473 11.652 ( 1.809 -6.768 1.306) 7.126 11.767 ( 3.667 4.644 8.070) 10.007 11.946 ( -7.099 -2.487 -9.974) 12.492 12.678 ( -14.904 0.978 -5.402) 15.883 13.191 ( -9.205 -3.879 -13.149) 16.512 13.807 ( 9.651 -5.105 23.440) 25.858 13.989 ( 13.478 1.343 0.273) 13.547 14.816 ( 1.006 8.087 -5.549) 9.859 15.833 ( -18.618 -2.242 -12.823) 22.718 ======================= Grid point 908 (455/468) ======================= q-point: (-0.27 0.18 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -0.452 -0.564 2.507) 2.609 2.553 ( -1.192 0.448 -2.929) 3.193 3.347 ( 6.866 6.245 7.162) 11.723 3.718 ( -4.353 -1.865 -6.743) 8.240 4.202 ( 4.627 5.109 -0.304) 6.900 4.313 ( 5.873 11.555 2.505) 13.201 4.490 ( -5.796 -15.957 0.628) 16.989 4.734 ( -8.868 -0.590 -5.927) 10.682 5.244 ( 3.372 -4.020 3.506) 6.310 5.488 ( -4.563 1.567 -6.372) 7.992 5.979 ( 1.772 -1.850 2.950) 3.907 6.183 ( -5.375 -0.364 -5.385) 7.617 6.573 ( 3.166 0.982 5.271) 6.227 6.699 ( 0.559 2.605 -1.329) 2.977 7.922 ( 4.749 -3.299 -1.150) 5.896 8.120 ( -6.423 2.350 -3.141) 7.527 8.648 ( 2.286 -1.045 5.172) 5.751 8.920 ( -6.296 -1.903 -6.737) 9.415 9.041 ( 5.257 -2.373 3.420) 6.706 9.293 ( -4.449 1.157 -4.164) 6.203 9.790 ( 6.961 -0.272 6.302) 9.394 9.982 ( -1.320 8.065 0.840) 8.216 10.455 ( 0.043 -4.553 3.762) 5.906 10.586 ( -2.386 0.204 -3.930) 4.602 10.742 ( 7.457 3.206 4.706) 9.382 11.172 ( -7.214 -4.662 -7.559) 11.441 11.466 ( 12.400 7.039 16.039) 21.461 11.720 ( 0.564 -4.015 3.081) 5.092 11.826 ( -1.389 -1.467 -3.690) 4.207 11.982 ( 12.637 -1.922 4.615) 13.590 12.383 ( -9.899 4.753 -7.475) 13.284 12.885 ( -15.927 -3.526 -14.468) 21.804 14.152 ( 10.795 1.678 3.035) 11.338 14.233 ( 7.258 -4.254 14.244) 16.543 14.735 ( 1.832 6.433 5.949) 8.951 15.444 ( -16.464 -3.405 -18.310) 24.858 ======================= Grid point 909 (456/468) ======================= q-point: (-0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( -0.357 0.112 -2.575) 2.602 2.504 ( 0.357 0.112 2.575) 2.602 3.517 ( -7.449 2.877 -10.314) 13.044 3.517 ( 7.449 2.877 10.314) 13.044 4.236 ( -3.670 9.139 -0.750) 9.877 4.236 ( 3.670 9.139 0.750) 9.877 4.615 ( -1.114 -9.048 -3.732) 9.850 4.615 ( 1.114 -9.048 3.732) 9.850 5.360 ( 2.193 -0.549 -9.400) 9.668 5.360 ( -2.193 -0.549 9.400) 9.668 6.077 ( -0.982 -2.782 -6.236) 6.899 6.077 ( 0.982 -2.782 6.236) 6.899 6.637 ( 0.731 3.902 -5.028) 6.407 6.637 ( -0.731 3.902 5.028) 6.407 8.006 ( 0.659 -0.544 -4.434) 4.516 8.006 ( -0.659 -0.544 4.434) 4.516 8.787 ( -1.056 -4.611 -8.283) 9.538 8.787 ( 1.056 -4.611 8.283) 9.539 9.187 ( -0.420 -2.657 -6.411) 6.952 9.187 ( 0.420 -2.657 6.411) 6.952 9.877 ( 3.788 8.508 -5.600) 10.867 9.877 ( -3.788 8.508 5.600) 10.867 10.541 ( 2.311 -5.501 -5.466) 8.092 10.541 ( -2.311 -5.501 5.466) 8.092 10.945 ( -9.445 -0.528 -11.445) 14.848 10.945 ( 9.445 -0.528 11.445) 14.848 11.683 ( -3.148 8.398 -11.434) 14.531 11.683 ( 3.148 8.398 11.434) 14.531 11.913 ( -1.000 -2.914 -12.511) 12.884 11.913 ( 1.000 -2.914 12.511) 12.884 12.518 ( -15.196 -2.626 -13.852) 20.729 12.518 ( 15.196 -2.626 13.852) 20.729 14.281 ( -6.714 2.502 -1.406) 7.302 14.281 ( 6.714 2.502 1.406) 7.302 15.028 ( -8.431 -2.300 -25.520) 26.975 15.028 ( 8.431 -2.300 25.520) 26.975 ======================= Grid point 915 (457/468) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 23.360 -0.000 4.839) 23.856 2.360 ( 3.903 -0.000 -2.993) 4.918 3.349 ( 0.584 -0.000 2.576) 2.641 3.665 ( -0.290 0.000 8.531) 8.536 3.747 ( -6.733 0.000 -1.741) 6.955 4.305 ( -10.385 0.000 9.412) 14.015 5.001 ( -5.168 0.000 -4.849) 7.087 5.036 ( -11.387 0.000 -21.817) 24.610 5.611 ( 15.612 -0.000 -3.813) 16.071 5.630 ( -0.822 0.000 5.637) 5.696 5.991 ( 6.017 -0.000 0.695) 6.057 6.525 ( 3.338 -0.000 -4.168) 5.340 6.718 ( 0.871 -0.000 -6.971) 7.026 6.785 ( -11.978 0.000 -1.017) 12.021 7.851 ( -10.000 0.000 1.026) 10.052 7.868 ( 1.739 -0.000 8.841) 9.010 8.700 ( -3.926 0.000 2.789) 4.816 8.741 ( 3.970 -0.000 0.095) 3.972 9.006 ( 2.467 -0.000 -1.411) 2.842 9.480 ( 7.205 -0.000 14.194) 15.918 9.795 ( -2.116 0.000 4.118) 4.630 9.930 ( 2.446 -0.000 -7.002) 7.417 10.250 ( -2.246 0.000 1.243) 2.567 10.389 ( -2.518 0.000 -2.346) 3.441 10.626 ( 6.379 -0.000 -3.813) 7.431 10.717 ( 1.653 -0.000 -0.588) 1.755 10.887 ( 6.724 -0.000 12.042) 13.792 11.624 ( -1.347 0.000 -9.756) 9.849 11.745 ( -4.862 0.000 9.541) 10.709 12.512 ( -6.001 0.000 -3.646) 7.022 12.741 ( -1.618 0.000 -0.021) 1.618 13.214 ( -10.718 0.000 -9.746) 14.486 13.581 ( 9.339 -0.000 -0.606) 9.358 13.711 ( 4.292 -0.000 -3.129) 5.312 14.831 ( 12.133 -0.000 -0.818) 12.161 16.713 ( -11.725 0.000 3.914) 12.361 ======================= Grid point 916 (458/468) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.379 ( 4.410 1.507 -0.052) 4.660 2.460 ( 19.890 -0.028 3.231) 20.151 3.380 ( -1.109 -2.576 1.150) 3.031 3.588 ( -3.891 9.720 3.210) 10.951 3.830 ( -7.068 -8.506 7.808) 13.538 4.338 ( -2.158 -9.415 4.324) 10.583 4.694 ( -2.819 0.900 -14.789) 15.082 4.899 ( -3.553 0.413 -4.148) 5.477 5.591 ( -8.653 4.492 0.256) 9.753 5.709 ( 10.176 0.111 -7.760) 12.798 6.070 ( 5.391 1.429 0.711) 5.622 6.423 ( -0.925 9.785 -4.911) 10.987 6.599 ( -8.997 2.191 -2.595) 9.617 6.670 ( -4.414 -10.281 -3.964) 11.870 7.746 ( -7.303 2.195 3.113) 8.236 8.083 ( 5.616 -7.928 9.774) 13.781 8.659 ( -7.147 0.186 1.125) 7.237 8.787 ( 6.285 5.330 -0.545) 8.259 9.064 ( 4.552 -1.861 2.162) 5.372 9.730 ( -0.349 3.172 10.226) 10.713 9.840 ( 4.479 -1.023 4.501) 6.431 9.866 ( 3.183 -1.767 -5.696) 6.760 10.254 ( 1.101 5.157 -0.541) 5.300 10.310 ( -0.597 0.431 -1.550) 1.716 10.629 ( 9.388 -0.852 -9.007) 13.038 10.767 ( 2.402 -1.745 2.613) 3.955 11.143 ( 1.864 -5.129 13.062) 14.156 11.470 ( -1.486 3.799 -6.934) 8.045 11.811 ( -3.394 2.369 9.257) 10.140 12.353 ( -10.258 -0.815 -6.340) 12.087 12.777 ( -3.073 -3.449 6.604) 8.060 13.028 ( -6.033 -1.292 -1.237) 6.293 13.634 ( 6.702 2.890 -5.266) 9.000 13.747 ( 8.068 -2.097 -4.616) 9.529 14.940 ( 10.512 -0.385 -5.079) 11.681 16.533 ( -18.495 1.685 -1.048) 18.602 ======================= Grid point 917 (459/468) ======================= q-point: ( 0.45 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 3.036 1.649 0.216) 3.462 2.646 ( 10.312 1.009 -4.661) 11.361 3.402 ( 1.773 -0.264 -0.167) 1.800 3.555 ( -4.952 1.847 8.811) 10.274 3.863 ( -11.599 -8.275 8.195) 16.437 4.466 ( 4.491 -1.908 -0.490) 4.904 4.596 ( 3.416 -5.021 -6.157) 8.648 4.823 ( 1.693 -1.663 -4.286) 4.899 5.337 ( -14.237 8.352 -5.210) 17.309 5.706 ( 2.766 -0.141 -5.427) 6.093 6.088 ( 2.857 6.179 -2.061) 7.113 6.317 ( 0.026 2.378 -2.190) 3.233 6.468 ( -3.338 1.244 -1.637) 3.920 6.675 ( -4.312 -7.770 -0.213) 8.889 7.717 ( -4.386 -1.149 4.708) 6.536 8.353 ( 4.517 -7.196 10.588) 13.575 8.546 ( -8.006 -0.342 -2.429) 8.373 8.787 ( 6.443 9.645 -1.237) 11.665 9.191 ( 5.952 -2.475 3.982) 7.577 9.684 ( -4.204 5.978 -11.374) 13.520 9.709 ( -3.013 2.591 -2.726) 4.819 10.071 ( 1.694 -3.198 2.947) 4.667 10.218 ( 9.247 7.238 4.363) 12.527 10.389 ( 3.064 -1.698 6.619) 7.488 10.691 ( 12.321 -2.710 -4.509) 13.397 10.867 ( 3.887 -5.767 2.196) 7.293 11.264 ( -4.628 0.984 2.728) 5.461 11.431 ( 3.583 1.242 6.292) 7.346 11.824 ( -3.706 3.237 4.485) 6.658 12.128 ( -10.798 -1.638 -9.333) 14.366 12.800 ( -12.568 -4.029 4.988) 14.109 13.098 ( 0.843 -6.245 9.196) 11.148 13.598 ( 4.948 4.273 -4.293) 7.821 13.841 ( 13.013 -1.294 -3.260) 13.477 14.968 ( 9.210 1.064 -9.745) 13.451 16.215 ( -23.176 1.956 -4.832) 23.755 ======================= Grid point 918 (460/468) ======================= q-point: ( 0.55 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( 2.385 1.064 0.560) 2.671 2.623 ( 1.230 -0.098 -6.969) 7.078 3.415 ( 3.467 4.374 0.141) 5.583 3.615 ( -4.312 -4.137 6.251) 8.648 3.964 ( -7.133 -16.182 10.445) 20.539 4.428 ( 1.107 6.726 -8.191) 10.656 4.573 ( 1.490 7.619 1.650) 7.937 4.864 ( 0.161 -9.002 -7.769) 11.892 5.110 ( -1.011 4.399 -0.194) 4.518 5.638 ( -5.171 -0.297 -3.408) 6.200 6.018 ( 3.657 7.635 -3.472) 9.150 6.282 ( -2.310 -0.465 -2.473) 3.416 6.464 ( 2.773 -1.332 0.939) 3.216 6.685 ( -3.878 -5.099 1.373) 6.551 7.767 ( -1.133 -2.925 5.701) 6.507 8.339 ( -12.189 2.151 -0.787) 12.402 8.623 ( 8.785 -2.296 1.871) 9.271 8.792 ( 5.539 5.821 3.830) 8.901 9.302 ( 4.384 3.508 -7.996) 9.770 9.387 ( -7.534 4.091 -2.952) 9.067 9.640 ( -0.907 0.620 -1.386) 1.769 10.070 ( -1.751 -3.627 -2.748) 4.876 10.361 ( 8.188 5.336 4.052) 10.580 10.533 ( 3.224 -1.656 6.475) 7.420 10.829 ( 6.874 1.661 -0.541) 7.093 11.002 ( 8.015 -9.265 -2.441) 12.492 11.254 ( 0.742 3.386 9.507) 10.119 11.576 ( 1.277 -1.943 7.857) 8.194 11.822 ( -2.681 1.245 6.404) 7.054 11.912 ( -3.930 -1.289 -10.122) 10.934 12.670 ( -17.474 -1.063 1.496) 17.570 13.133 ( -3.804 -3.533 -12.043) 13.114 13.737 ( 6.092 -2.243 18.685) 19.780 14.009 ( 16.548 0.454 -0.564) 16.564 14.913 ( 7.826 3.450 -12.383) 15.050 15.822 ( -24.902 0.721 -7.458) 26.005 ======================= Grid point 919 (461/468) ======================= q-point: ( 0.64 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 1.403 -0.015 1.086) 1.774 2.553 ( -1.141 -0.555 -4.136) 4.326 3.441 ( 4.333 4.143 3.157) 6.775 3.645 ( -4.126 -5.924 -1.590) 7.392 4.173 ( -2.908 -17.498 7.743) 19.354 4.274 ( -2.686 3.631 -2.330) 5.082 4.544 ( 3.832 12.268 0.876) 12.882 4.743 ( -4.061 0.690 -8.957) 9.859 5.200 ( 8.021 -1.113 3.469) 8.810 5.508 ( -7.816 0.940 -3.407) 8.578 5.996 ( 4.860 3.793 -0.583) 6.192 6.187 ( -5.697 0.879 -3.860) 6.937 6.556 ( 4.752 -2.749 2.278) 5.944 6.693 ( -3.139 -3.583 0.307) 4.774 7.871 ( 2.116 -1.980 6.269) 6.906 8.159 ( -7.894 1.988 -4.570) 9.335 8.690 ( 6.132 4.926 0.384) 7.875 8.900 ( -0.175 0.305 0.814) 0.887 9.076 ( -0.079 5.890 -2.948) 6.587 9.324 ( -5.079 2.352 -3.704) 6.712 9.732 ( 6.247 -5.576 6.075) 10.344 10.030 ( -3.172 -3.640 -4.263) 6.441 10.438 ( 4.628 3.594 2.700) 6.452 10.610 ( -1.559 1.102 -0.474) 1.967 10.810 ( 4.407 5.527 1.403) 7.207 11.086 ( -4.751 -5.165 -2.736) 7.533 11.490 ( 16.389 -5.450 6.663) 18.512 11.682 ( 0.875 0.201 7.817) 7.869 11.776 ( -6.234 -2.911 -0.687) 6.914 11.969 ( 7.450 -0.541 4.404) 8.671 12.451 ( -14.342 3.417 0.637) 14.757 12.858 ( -8.394 0.038 -18.888) 20.669 14.098 ( 2.361 -5.862 18.824) 19.856 14.215 ( 14.952 0.423 1.479) 15.031 14.838 ( 9.355 5.060 -7.289) 12.894 15.408 ( -23.233 -0.564 -10.224) 25.389 ======================= Grid point 920 (462/468) ======================= q-point: (-0.27 -0.73 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( -0.910 -0.307 -2.412) 2.596 2.503 ( 0.910 -0.307 2.412) 2.596 3.548 ( -2.383 0.585 -8.689) 9.029 3.548 ( 2.383 0.585 8.689) 9.029 4.299 ( -0.802 -6.223 -4.133) 7.513 4.299 ( 0.802 -6.223 4.133) 7.513 4.548 ( -2.421 5.613 -9.800) 11.550 4.548 ( 2.421 5.613 9.800) 11.550 5.356 ( -3.417 0.083 -7.040) 7.826 5.356 ( 3.417 0.083 7.040) 7.826 6.058 ( -2.749 0.746 -5.022) 5.773 6.058 ( 2.749 0.746 5.022) 5.773 6.661 ( -1.651 -1.373 -3.519) 4.122 6.661 ( 1.651 -1.373 3.519) 4.122 8.001 ( -2.833 0.104 -6.975) 7.529 8.001 ( 2.833 0.104 6.975) 7.529 8.764 ( -1.710 1.955 -7.464) 7.903 8.764 ( 1.710 1.955 7.464) 7.903 9.169 ( -3.338 0.816 -7.604) 8.344 9.169 ( 3.338 0.816 7.604) 8.344 9.938 ( -4.127 -2.211 -6.624) 8.112 9.938 ( 4.127 -2.211 6.624) 8.112 10.502 ( -2.631 1.922 -4.334) 5.423 10.502 ( 2.631 1.922 4.334) 5.423 10.942 ( -3.281 -0.137 -10.513) 11.014 10.942 ( 3.281 -0.137 10.513) 11.014 11.739 ( -4.837 -3.980 0.259) 6.269 11.739 ( 4.837 -3.980 -0.259) 6.269 11.883 ( -4.695 1.249 -17.954) 18.600 11.883 ( 4.695 1.249 17.954) 18.600 12.505 ( -3.230 1.383 -19.688) 19.999 12.505 ( 3.230 1.383 19.688) 19.999 14.296 ( -0.109 -0.979 -5.731) 5.815 14.296 ( 0.109 -0.979 5.731) 5.815 15.010 ( -7.078 0.418 -18.352) 19.674 15.010 ( 7.078 0.418 18.352) 19.674 ======================= Grid point 928 (463/468) ======================= q-point: ( 0.36 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 4.493 -0.000 -0.633) 4.537 2.650 ( 10.460 -0.000 -6.318) 12.220 3.355 ( -0.110 0.000 0.017) 0.111 3.620 ( -5.008 0.000 7.182) 8.756 3.795 ( -14.520 0.000 9.500) 17.352 4.410 ( 9.913 -0.000 6.434) 11.818 4.564 ( 6.365 -0.000 -8.883) 10.928 4.824 ( -4.179 0.000 -3.121) 5.215 5.406 ( -15.847 0.000 -5.467) 16.763 5.710 ( 6.422 -0.000 -9.278) 11.284 6.142 ( 4.412 -0.000 -0.657) 4.461 6.392 ( -4.868 0.000 -2.811) 5.621 6.499 ( -4.695 0.000 -1.177) 4.840 6.527 ( -0.491 0.000 -2.635) 2.680 7.721 ( -6.779 0.000 6.369) 9.302 8.280 ( 8.061 -0.000 11.917) 14.388 8.545 ( -9.192 0.000 -2.292) 9.474 8.878 ( 5.784 -0.000 -1.454) 5.964 9.168 ( 6.701 -0.000 4.034) 7.822 9.717 ( -6.656 0.000 0.540) 6.678 9.751 ( 0.685 -0.000 -12.626) 12.645 10.036 ( 1.038 -0.000 1.141) 1.543 10.312 ( 9.727 -0.000 4.859) 10.873 10.362 ( 3.927 -0.000 4.329) 5.845 10.668 ( 13.280 -0.000 -6.200) 14.656 10.796 ( 0.159 -0.000 1.941) 1.947 11.260 ( -1.063 0.000 8.828) 8.891 11.463 ( 0.206 -0.000 4.206) 4.211 11.852 ( -4.276 0.000 2.905) 5.170 12.115 ( -10.822 0.000 -9.116) 14.150 12.761 ( -12.580 0.000 8.525) 15.196 13.041 ( 0.961 -0.000 6.365) 6.437 13.642 ( 4.597 -0.000 -4.839) 6.674 13.824 ( 14.264 -0.000 -3.321) 14.645 14.975 ( 10.823 -0.000 -10.621) 15.164 16.235 ( -24.765 0.000 -3.876) 25.067 ======================= Grid point 929 (464/468) ======================= q-point: ( 0.45 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 3.836 1.715 -0.946) 4.307 2.611 ( 1.890 -0.834 -9.212) 9.441 3.381 ( 4.723 -4.125 -3.766) 7.315 3.649 ( -9.884 5.287 9.368) 14.609 3.756 ( -9.513 -8.130 11.276) 16.844 4.548 ( 6.183 7.279 -6.064) 11.313 4.660 ( 5.301 0.896 8.523) 10.077 4.704 ( -2.271 -7.266 -7.802) 10.900 5.173 ( -5.858 2.055 -3.456) 7.106 5.646 ( 0.678 0.687 -7.476) 7.538 6.142 ( 2.518 5.151 -2.799) 6.380 6.295 ( -3.759 1.806 -1.416) 4.404 6.449 ( 0.656 0.686 0.006) 0.949 6.553 ( -2.213 -8.557 -0.370) 8.847 7.752 ( -3.150 0.208 8.937) 9.478 8.361 ( -12.241 0.570 -0.756) 12.278 8.574 ( 11.811 -1.935 8.272) 14.549 8.900 ( 4.621 4.140 -1.614) 6.411 9.304 ( 5.926 -0.333 2.686) 6.515 9.526 ( -4.229 8.040 -12.318) 15.306 9.631 ( -4.588 -1.993 -3.550) 6.134 9.971 ( -4.093 -5.315 -6.104) 9.070 10.466 ( 4.651 3.827 6.587) 8.925 10.528 ( 6.619 1.934 5.597) 8.881 10.814 ( 15.158 -3.640 -0.336) 15.593 10.865 ( 8.188 -4.125 -3.094) 9.676 11.317 ( -3.502 3.159 7.505) 8.864 11.557 ( -7.286 -0.853 14.749) 16.473 11.823 ( -0.969 -0.273 -0.729) 1.243 11.899 ( -2.006 -0.500 -9.054) 9.287 12.661 ( -20.023 0.005 8.413) 21.718 13.075 ( 1.393 -2.386 -10.195) 10.562 13.726 ( 4.791 0.242 12.224) 13.132 14.006 ( 16.653 -0.407 0.181) 16.659 14.946 ( 12.126 0.786 -15.901) 20.013 15.840 ( -28.598 0.825 -4.509) 28.963 ======================= Grid point 930 (465/468) ======================= q-point: ( 0.55 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 847 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 2.496 1.429 -0.720) 2.965 2.538 ( -0.546 -0.961 -4.411) 4.547 3.444 ( 7.727 -4.249 -4.631) 9.961 3.573 ( -11.676 -1.307 5.889) 13.142 3.932 ( -0.706 -9.503 11.565) 14.985 4.332 ( -9.223 2.984 -9.389) 13.495 4.696 ( 3.193 3.150 0.813) 4.558 4.756 ( 1.869 2.708 -1.999) 3.850 5.197 ( 8.526 0.329 3.342) 9.164 5.528 ( -5.577 1.427 -4.998) 7.623 6.090 ( 4.261 6.425 -2.520) 8.110 6.212 ( -5.142 1.814 -1.555) 5.670 6.496 ( 3.527 -3.469 0.658) 4.991 6.589 ( -3.398 -7.639 0.323) 8.367 7.857 ( 1.098 0.024 9.765) 9.827 8.183 ( -8.918 0.816 -4.882) 10.200 8.782 ( 9.094 5.166 2.661) 10.792 8.929 ( 2.895 2.091 3.224) 4.811 9.210 ( -1.869 8.234 -8.463) 11.954 9.373 ( -4.766 3.901 -1.173) 6.270 9.628 ( 3.353 -6.223 2.347) 7.448 9.900 ( -4.478 -9.198 -7.061) 12.430 10.539 ( 3.401 5.982 4.194) 8.058 10.611 ( 1.122 -0.101 2.387) 2.639 10.916 ( 11.192 5.200 -7.318) 14.348 11.006 ( -0.695 -3.461 4.349) 5.602 11.381 ( 7.332 -4.534 2.088) 8.870 11.600 ( -13.529 -8.232 8.211) 17.839 11.804 ( 5.259 4.049 0.920) 6.701 11.947 ( 5.692 -1.952 2.789) 6.632 12.507 ( -18.690 3.058 11.036) 21.919 12.866 ( -0.792 0.393 -22.547) 22.564 14.013 ( 3.744 -3.564 18.658) 19.360 14.210 ( 11.636 -0.883 0.711) 11.691 14.902 ( 17.241 2.429 -15.604) 23.381 15.417 ( -29.335 1.044 -3.216) 29.530 ======================= Grid point 931 (466/468) ======================= q-point: (-0.36 -0.64 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( -1.326 -0.068 -1.313) 1.867 2.498 ( 1.326 -0.068 1.313) 1.867 3.528 ( 5.590 -2.948 -7.015) 9.442 3.528 ( -5.590 -2.948 7.015) 9.442 4.152 ( -4.090 -7.455 -7.178) 11.128 4.152 ( 4.090 -7.455 7.178) 11.128 4.686 ( 0.323 7.452 -3.551) 8.261 4.686 ( -0.323 7.452 3.551) 8.261 5.364 ( -8.883 0.890 -4.494) 9.995 5.364 ( 8.883 0.890 4.494) 9.995 6.099 ( -4.595 3.736 -1.576) 6.129 6.099 ( 4.595 3.736 1.576) 6.129 6.597 ( -4.080 -5.585 -0.846) 6.968 6.597 ( 4.080 -5.585 0.846) 6.968 8.008 ( -4.453 0.538 -8.441) 9.558 8.008 ( 4.453 0.538 8.441) 9.558 8.844 ( -2.830 6.713 -5.393) 9.064 8.844 ( 2.830 6.713 5.393) 9.064 9.211 ( -5.292 3.570 -6.755) 9.295 9.211 ( 5.292 3.570 6.755) 9.295 9.828 ( -5.520 -9.033 -7.271) 12.842 9.828 ( 5.520 -9.033 7.271) 12.842 10.576 ( -3.071 4.784 -3.105) 6.478 10.576 ( 3.071 4.784 3.105) 6.478 10.952 ( 6.334 2.058 -10.368) 12.323 10.952 ( -6.334 2.058 10.368) 12.323 11.595 ( 5.891 -10.755 -2.528) 12.521 11.595 ( -5.891 -10.755 2.528) 12.521 11.921 ( -3.076 2.081 -9.974) 10.642 11.921 ( 3.076 2.081 9.973) 10.642 12.553 ( 5.157 3.512 -24.255) 25.045 12.553 ( -5.157 3.512 24.255) 25.045 14.255 ( 0.540 -3.226 -9.166) 9.732 14.255 ( -0.540 -3.226 9.166) 9.732 15.037 ( -7.225 2.232 -9.087) 11.822 15.037 ( 7.225 2.232 9.087) 11.822 ======================= Grid point 941 (467/468) ======================= q-point: ( 0.45 0.45 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 462 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.498 ( 2.556 -0.000 -1.727) 3.085 2.527 ( 0.055 -0.000 -4.301) 4.302 3.389 ( 8.632 -0.000 -4.939) 9.945 3.564 ( -15.438 0.000 5.809) 16.495 3.856 ( 1.032 -0.000 13.154) 13.194 4.361 ( -12.480 0.000 -13.273) 18.219 4.699 ( 8.331 -0.000 -0.515) 8.347 4.799 ( -0.393 0.000 3.930) 3.950 5.201 ( 7.893 -0.000 3.772) 8.748 5.544 ( -2.942 0.000 -7.549) 8.102 6.163 ( 3.124 -0.000 -2.978) 4.316 6.232 ( -5.396 0.000 0.115) 5.397 6.470 ( -0.042 0.000 1.309) 1.310 6.493 ( 0.381 -0.000 -1.012) 1.081 7.859 ( 0.686 -0.000 10.299) 10.322 8.189 ( -9.153 0.000 -4.977) 10.419 8.837 ( 11.459 -0.000 8.497) 14.266 8.945 ( 2.398 -0.000 0.232) 2.409 9.287 ( -1.532 0.000 -8.071) 8.215 9.461 ( -6.690 0.000 -7.903) 10.354 9.530 ( 3.435 -0.000 5.177) 6.213 9.802 ( -4.606 0.000 -6.905) 8.300 10.581 ( 1.224 -0.000 4.827) 4.980 10.629 ( -0.272 0.000 2.389) 2.404 10.943 ( 11.986 -0.000 -0.765) 12.010 10.990 ( 15.792 -0.000 -5.599) 16.755 11.363 ( -5.150 0.000 6.357) 8.181 11.497 ( -17.307 0.000 6.083) 18.344 11.852 ( 9.289 -0.000 -2.888) 9.727 11.919 ( 3.484 -0.000 5.797) 6.763 12.538 ( -21.463 0.000 15.852) 26.682 12.868 ( 3.217 -0.000 -24.262) 24.475 13.983 ( 4.063 -0.000 17.628) 18.090 14.199 ( 10.365 -0.000 0.664) 10.386 14.922 ( 20.130 -0.000 -18.055) 27.041 15.428 ( -31.450 0.000 -0.848) 31.462 ======================= Grid point 942 (468/468) ======================= q-point: (-0.45 -0.55 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 429 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.501 ( -0.538 0.228 -0.173) 0.610 2.501 ( 0.538 0.228 0.173) 0.610 3.469 ( 10.971 -2.648 -5.316) 12.475 3.469 ( -10.971 -2.648 5.316) 12.475 4.076 ( -7.193 -1.866 -12.249) 14.327 4.076 ( 7.193 -1.866 12.249) 14.327 4.770 ( -3.305 2.371 -0.425) 4.089 4.770 ( 3.305 2.371 0.425) 4.089 5.381 ( -8.126 0.747 -6.601) 10.495 5.381 ( 8.126 0.747 6.601) 10.495 6.166 ( -3.895 3.077 0.883) 5.041 6.166 ( 3.895 3.077 -0.883) 5.041 6.503 ( -1.170 -4.051 -0.672) 4.270 6.503 ( 1.170 -4.051 0.672) 4.270 8.015 ( -5.034 0.191 -8.478) 9.862 8.015 ( 5.034 0.191 8.478) 9.862 8.955 ( -1.326 4.648 -3.178) 5.785 8.955 ( 1.326 4.648 3.178) 5.785 9.268 ( -4.656 2.295 -6.690) 8.467 9.268 ( 4.656 2.295 6.690) 8.467 9.687 ( -4.511 -5.678 -6.632) 9.827 9.687 ( 4.511 -5.678 6.632) 9.827 10.625 ( -0.529 1.002 -1.223) 1.667 10.625 ( 0.529 1.002 1.223) 1.667 11.019 ( 9.611 4.460 -6.878) 12.632 11.019 ( -9.611 4.460 6.878) 12.632 11.423 ( 0.950 -7.474 -2.215) 7.853 11.423 ( -0.950 -7.474 2.215) 7.853 11.945 ( -0.517 0.694 -3.233) 3.347 11.945 ( 0.517 0.694 3.233) 3.347 12.602 ( 9.163 1.682 -26.356) 27.954 12.602 ( -9.163 1.682 26.356) 27.954 14.209 ( -0.406 -1.653 -10.263) 10.403 14.209 ( 0.406 -1.653 10.263) 10.403 15.069 ( -16.564 1.143 1.394) 16.662 15.069 ( 16.564 1.143 -1.394) 16.662 =================== 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 3/60984 10.0 3713.069 3995.480 2840.410 -0.000 1.505 -0.000 3/60984 20.0 835.119 981.991 730.714 -0.000 -15.902 -0.000 3/60984 30.0 281.903 346.040 256.657 -0.000 -4.123 -0.000 3/60984 40.0 139.515 179.272 129.309 -0.000 -2.086 -0.000 3/60984 50.0 84.735 112.136 79.268 -0.000 -1.281 -0.000 3/60984 60.0 57.700 77.584 54.289 -0.000 -0.854 -0.000 3/60984 70.0 42.188 57.174 39.855 -0.000 -0.602 -0.000 3/60984 80.0 32.420 44.099 30.721 -0.000 -0.445 -0.000 3/60984 90.0 25.877 35.257 24.580 -0.000 -0.343 -0.000 3/60984 100.0 21.291 29.025 20.264 -0.000 -0.274 -0.000 3/60984 110.0 17.958 24.480 17.121 -0.000 -0.226 -0.000 3/60984 120.0 15.463 21.067 14.763 -0.000 -0.190 -0.000 3/60984 130.0 13.545 18.437 12.948 -0.000 -0.164 -0.000 3/60984 140.0 12.036 16.365 11.518 -0.000 -0.144 -0.000 3/60984 150.0 10.826 14.700 10.370 -0.000 -0.128 -0.000 3/60984 160.0 9.837 13.337 9.431 -0.000 -0.116 -0.000 3/60984 170.0 9.016 12.205 8.651 -0.000 -0.105 -0.000 3/60984 180.0 8.325 11.251 7.993 -0.000 -0.097 -0.000 3/60984 190.0 7.736 10.438 7.432 -0.000 -0.089 -0.000 3/60984 200.0 7.228 9.737 6.948 -0.000 -0.083 -0.000 3/60984 210.0 6.786 9.126 6.526 -0.000 -0.078 -0.000 3/60984 220.0 6.397 8.591 6.155 -0.000 -0.073 -0.000 3/60984 230.0 6.053 8.116 5.827 -0.000 -0.069 -0.000 3/60984 240.0 5.746 7.693 5.533 -0.000 -0.065 -0.000 3/60984 250.0 5.470 7.314 5.270 -0.000 -0.062 -0.000 3/60984 260.0 5.221 6.972 5.031 -0.000 -0.059 -0.000 3/60984 270.0 4.995 6.662 4.815 -0.000 -0.056 -0.000 3/60984 280.0 4.789 6.380 4.617 -0.000 -0.054 -0.000 3/60984 290.0 4.600 6.121 4.436 -0.000 -0.052 -0.000 3/60984 300.0 4.426 5.883 4.270 -0.000 -0.050 -0.000 3/60984 310.0 4.265 5.664 4.116 -0.000 -0.048 -0.000 3/60984 320.0 4.116 5.462 3.973 -0.000 -0.046 -0.000 3/60984 330.0 3.978 5.274 3.840 -0.000 -0.044 -0.000 3/60984 340.0 3.849 5.098 3.716 -0.000 -0.043 -0.000 3/60984 350.0 3.729 4.935 3.601 -0.000 -0.042 -0.000 3/60984 360.0 3.616 4.782 3.492 -0.000 -0.040 -0.000 3/60984 370.0 3.510 4.639 3.391 -0.000 -0.039 -0.000 3/60984 380.0 3.411 4.504 3.295 -0.000 -0.038 -0.000 3/60984 390.0 3.317 4.377 3.205 -0.000 -0.037 -0.000 3/60984 400.0 3.228 4.258 3.119 -0.000 -0.036 -0.000 3/60984 410.0 3.144 4.145 3.038 -0.000 -0.035 -0.000 3/60984 420.0 3.065 4.038 2.962 -0.000 -0.034 -0.000 3/60984 430.0 2.989 3.936 2.889 -0.000 -0.033 -0.000 3/60984 440.0 2.918 3.840 2.820 -0.000 -0.032 -0.000 3/60984 450.0 2.849 3.748 2.754 -0.000 -0.031 -0.000 3/60984 460.0 2.784 3.661 2.692 -0.000 -0.031 -0.000 3/60984 470.0 2.722 3.578 2.632 -0.000 -0.030 -0.000 3/60984 480.0 2.663 3.499 2.575 -0.000 -0.029 -0.000 3/60984 490.0 2.606 3.423 2.520 -0.000 -0.029 -0.000 3/60984 500.0 2.552 3.351 2.468 -0.000 -0.028 -0.000 3/60984 510.0 2.500 3.281 2.418 -0.000 -0.027 -0.000 3/60984 520.0 2.450 3.215 2.370 -0.000 -0.027 -0.000 3/60984 530.0 2.402 3.151 2.323 -0.000 -0.026 -0.000 3/60984 540.0 2.356 3.089 2.279 -0.000 -0.026 -0.000 3/60984 550.0 2.312 3.031 2.236 -0.000 -0.025 -0.000 3/60984 560.0 2.269 2.974 2.195 -0.000 -0.025 -0.000 3/60984 570.0 2.228 2.919 2.156 -0.000 -0.024 -0.000 3/60984 580.0 2.189 2.867 2.117 -0.000 -0.024 -0.000 3/60984 590.0 2.151 2.816 2.081 -0.000 -0.024 -0.000 3/60984 600.0 2.114 2.767 2.045 -0.000 -0.023 -0.000 3/60984 610.0 2.078 2.720 2.011 -0.000 -0.023 -0.000 3/60984 620.0 2.044 2.675 1.978 -0.000 -0.022 -0.000 3/60984 630.0 2.011 2.631 1.946 -0.000 -0.022 -0.000 3/60984 640.0 1.979 2.588 1.915 -0.000 -0.022 -0.000 3/60984 650.0 1.948 2.547 1.885 -0.000 -0.021 -0.000 3/60984 660.0 1.917 2.507 1.855 -0.000 -0.021 -0.000 3/60984 670.0 1.888 2.468 1.827 -0.000 -0.021 -0.000 3/60984 680.0 1.860 2.431 1.800 -0.000 -0.020 -0.000 3/60984 690.0 1.832 2.395 1.773 -0.000 -0.020 -0.000 3/60984 700.0 1.806 2.359 1.748 -0.000 -0.020 -0.000 3/60984 710.0 1.780 2.325 1.723 -0.000 -0.019 -0.000 3/60984 720.0 1.755 2.292 1.698 -0.000 -0.019 -0.000 3/60984 730.0 1.730 2.260 1.675 -0.000 -0.019 -0.000 3/60984 740.0 1.707 2.229 1.652 -0.000 -0.019 -0.000 3/60984 750.0 1.683 2.198 1.629 -0.000 -0.018 -0.000 3/60984 760.0 1.661 2.168 1.608 -0.000 -0.018 -0.000 3/60984 770.0 1.639 2.140 1.587 -0.000 -0.018 -0.000 3/60984 780.0 1.618 2.111 1.566 -0.000 -0.018 -0.000 3/60984 790.0 1.597 2.084 1.546 -0.000 -0.017 -0.000 3/60984 800.0 1.577 2.058 1.526 -0.000 -0.017 -0.000 3/60984 810.0 1.557 2.032 1.507 -0.000 -0.017 -0.000 3/60984 820.0 1.538 2.006 1.489 -0.000 -0.017 -0.000 3/60984 830.0 1.519 1.982 1.471 -0.000 -0.017 -0.000 3/60984 840.0 1.501 1.958 1.453 -0.000 -0.016 -0.000 3/60984 850.0 1.483 1.934 1.436 -0.000 -0.016 -0.000 3/60984 860.0 1.466 1.911 1.419 -0.000 -0.016 -0.000 3/60984 870.0 1.448 1.889 1.402 -0.000 -0.016 -0.000 3/60984 880.0 1.432 1.867 1.386 -0.000 -0.016 -0.000 3/60984 890.0 1.416 1.846 1.371 -0.000 -0.015 -0.000 3/60984 900.0 1.400 1.825 1.355 -0.000 -0.015 -0.000 3/60984 910.0 1.384 1.804 1.340 -0.000 -0.015 -0.000 3/60984 920.0 1.369 1.784 1.325 -0.000 -0.015 -0.000 3/60984 930.0 1.354 1.765 1.311 -0.000 -0.015 -0.000 3/60984 940.0 1.340 1.746 1.297 -0.000 -0.015 -0.000 3/60984 950.0 1.325 1.727 1.283 -0.000 -0.014 -0.000 3/60984 960.0 1.312 1.709 1.270 -0.000 -0.014 -0.000 3/60984 970.0 1.298 1.691 1.257 -0.000 -0.014 -0.000 3/60984 980.0 1.285 1.673 1.244 -0.000 -0.014 -0.000 3/60984 990.0 1.271 1.656 1.231 -0.000 -0.014 -0.000 3/60984 1000.0 1.259 1.640 1.219 -0.000 -0.014 -0.000 3/60984 Thermal conductivity related properties were written into "kappa-m111114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:41:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|