----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:06:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.969245045000000 -6.631213089999998 0.000000000000000 b 1.969245045000000 6.631213089999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.530683239999999 Atomic positions (fractional): *1 Sr 0.15039930424753 0.84960069575247 0.24483447761453 87.620 2 Sr 0.84960069575247 0.15039930424753 0.74483447761453 87.620 *3 Mg 0.41511466099907 0.58488533900093 0.28895209225879 24.305 4 Mg 0.58488533900093 0.41511466099907 0.78895209225879 24.305 *5 H 0.33170202022197 0.66829797977803 0.01085565364761 1.008 6 H 0.66829797977803 0.33170202022197 0.51085565364761 1.008 *7 H 0.29826879799431 0.70173120200569 0.49526593872509 1.008 8 H 0.70173120200569 0.29826879799431 0.99526593872509 1.008 *9 H 0.07183042863858 0.92816957136142 0.82349508279058 1.008 10 H 0.92816957136142 0.07183042863858 0.32349508279058 1.008 *11 H 0.54163245245205 0.45836754754795 0.13559673496342 1.008 12 H 0.45836754754795 0.54163245245205 0.63559673496342 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.938490090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.262426179999997 0.000000000000000 c 0.000000000000000 0.000000000000000 5.530683239999999 Atomic positions (fractional): *1 Sr 0.00000000000000 0.84960069575247 0.24483447761453 87.620 > 1 2 Sr 0.50000000000000 0.65039930424753 0.74483447761453 87.620 > 2 3 Sr 0.50000000000000 0.34960069575247 0.24483447761453 87.620 > 1 4 Sr 0.00000000000000 0.15039930424753 0.74483447761453 87.620 > 2 *5 Mg 0.00000000000000 0.58488533900093 0.28895209225879 24.305 > 3 6 Mg 0.50000000000000 0.91511466099907 0.78895209225879 24.305 > 4 7 Mg 0.50000000000000 0.08488533900093 0.28895209225879 24.305 > 3 8 Mg 0.00000000000000 0.41511466099907 0.78895209225879 24.305 > 4 *9 H 0.00000000000000 0.66829797977803 0.01085565364761 1.008 > 5 10 H 0.50000000000000 0.83170202022197 0.51085565364761 1.008 > 6 *11 H 0.00000000000000 0.70173120200569 0.49526593872509 1.008 > 7 12 H 0.50000000000000 0.79826879799431 0.99526593872509 1.008 > 8 *13 H 0.00000000000000 0.92816957136142 0.82349508279058 1.008 > 9 14 H 0.50000000000000 0.57183042863858 0.32349508279058 1.008 > 10 *15 H 0.50000000000000 0.95836754754795 0.13559673496342 1.008 > 11 16 H 0.00000000000000 0.54163245245205 0.63559673496342 1.008 > 12 17 H 0.50000000000000 0.16829797977803 0.01085565364761 1.008 > 5 18 H 0.00000000000000 0.33170202022197 0.51085565364761 1.008 > 6 19 H 0.50000000000000 0.20173120200569 0.49526593872509 1.008 > 7 20 H 0.00000000000000 0.29826879799431 0.99526593872509 1.008 > 8 21 H 0.50000000000000 0.42816957136142 0.82349508279058 1.008 > 9 22 H 0.00000000000000 0.07183042863858 0.32349508279058 1.008 > 10 23 H 0.00000000000000 0.45836754754795 0.13559673496342 1.008 > 11 24 H 0.50000000000000 0.04163245245205 0.63559673496342 1.008 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.815470270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.262426179999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.061366479999998 Atomic positions (fractional): *1 Sr 0.00000000000000 0.84960069575247 0.12241723880726 87.620 > 1 2 Sr 0.33333333333333 0.84960069575247 0.12241723880726 87.620 > 1 3 Sr 0.66666666666667 0.84960069575247 0.12241723880726 87.620 > 1 4 Sr 0.00000000000000 0.84960069575247 0.62241723880726 87.620 > 1 5 Sr 0.33333333333333 0.84960069575247 0.62241723880726 87.620 > 1 6 Sr 0.66666666666667 0.84960069575247 0.62241723880726 87.620 > 1 7 Sr 0.16666666666667 0.65039930424753 0.37241723880726 87.620 > 2 8 Sr 0.50000000000000 0.65039930424753 0.37241723880726 87.620 > 2 9 Sr 0.83333333333333 0.65039930424753 0.37241723880726 87.620 > 2 10 Sr 0.16666666666667 0.65039930424753 0.87241723880726 87.620 > 2 11 Sr 0.50000000000000 0.65039930424753 0.87241723880726 87.620 > 2 12 Sr 0.83333333333333 0.65039930424753 0.87241723880726 87.620 > 2 13 Sr 0.16666666666667 0.34960069575247 0.12241723880726 87.620 > 1 14 Sr 0.50000000000000 0.34960069575247 0.12241723880726 87.620 > 1 15 Sr 0.83333333333333 0.34960069575247 0.12241723880726 87.620 > 1 16 Sr 0.16666666666667 0.34960069575247 0.62241723880726 87.620 > 1 17 Sr 0.50000000000000 0.34960069575247 0.62241723880726 87.620 > 1 18 Sr 0.83333333333333 0.34960069575247 0.62241723880726 87.620 > 1 19 Sr 0.00000000000000 0.15039930424753 0.37241723880726 87.620 > 2 20 Sr 0.33333333333333 0.15039930424753 0.37241723880726 87.620 > 2 21 Sr 0.66666666666667 0.15039930424753 0.37241723880726 87.620 > 2 22 Sr 0.00000000000000 0.15039930424753 0.87241723880726 87.620 > 2 23 Sr 0.33333333333333 0.15039930424753 0.87241723880726 87.620 > 2 24 Sr 0.66666666666667 0.15039930424753 0.87241723880726 87.620 > 2 *25 Mg 0.00000000000000 0.58488533900093 0.14447604612939 24.305 > 3 26 Mg 0.33333333333333 0.58488533900093 0.14447604612939 24.305 > 3 27 Mg 0.66666666666667 0.58488533900093 0.14447604612939 24.305 > 3 28 Mg 0.00000000000000 0.58488533900093 0.64447604612939 24.305 > 3 29 Mg 0.33333333333333 0.58488533900093 0.64447604612939 24.305 > 3 30 Mg 0.66666666666667 0.58488533900093 0.64447604612939 24.305 > 3 31 Mg 0.16666666666667 0.91511466099907 0.39447604612939 24.305 > 4 32 Mg 0.50000000000000 0.91511466099907 0.39447604612939 24.305 > 4 33 Mg 0.83333333333333 0.91511466099907 0.39447604612939 24.305 > 4 34 Mg 0.16666666666667 0.91511466099907 0.89447604612939 24.305 > 4 35 Mg 0.50000000000000 0.91511466099907 0.89447604612939 24.305 > 4 36 Mg 0.83333333333333 0.91511466099907 0.89447604612939 24.305 > 4 37 Mg 0.16666666666667 0.08488533900093 0.14447604612939 24.305 > 3 38 Mg 0.50000000000000 0.08488533900093 0.14447604612939 24.305 > 3 39 Mg 0.83333333333333 0.08488533900093 0.14447604612939 24.305 > 3 40 Mg 0.16666666666667 0.08488533900093 0.64447604612939 24.305 > 3 41 Mg 0.50000000000000 0.08488533900093 0.64447604612939 24.305 > 3 42 Mg 0.83333333333333 0.08488533900093 0.64447604612939 24.305 > 3 43 Mg 0.00000000000000 0.41511466099907 0.39447604612939 24.305 > 4 44 Mg 0.33333333333333 0.41511466099907 0.39447604612939 24.305 > 4 45 Mg 0.66666666666667 0.41511466099907 0.39447604612939 24.305 > 4 46 Mg 0.00000000000000 0.41511466099907 0.89447604612939 24.305 > 4 47 Mg 0.33333333333333 0.41511466099907 0.89447604612939 24.305 > 4 48 Mg 0.66666666666667 0.41511466099907 0.89447604612939 24.305 > 4 *49 H 0.00000000000000 0.66829797977803 0.00542782682381 1.008 > 5 50 H 0.33333333333333 0.66829797977803 0.00542782682381 1.008 > 5 51 H 0.66666666666667 0.66829797977803 0.00542782682381 1.008 > 5 52 H 0.00000000000000 0.66829797977803 0.50542782682381 1.008 > 5 53 H 0.33333333333333 0.66829797977803 0.50542782682381 1.008 > 5 54 H 0.66666666666667 0.66829797977803 0.50542782682381 1.008 > 5 55 H 0.16666666666667 0.83170202022197 0.25542782682380 1.008 > 6 56 H 0.50000000000000 0.83170202022197 0.25542782682380 1.008 > 6 57 H 0.83333333333333 0.83170202022197 0.25542782682380 1.008 > 6 58 H 0.16666666666667 0.83170202022197 0.75542782682381 1.008 > 6 59 H 0.50000000000000 0.83170202022197 0.75542782682381 1.008 > 6 60 H 0.83333333333333 0.83170202022197 0.75542782682381 1.008 > 6 *61 H 0.00000000000000 0.70173120200569 0.24763296936255 1.008 > 7 62 H 0.33333333333333 0.70173120200569 0.24763296936255 1.008 > 7 63 H 0.66666666666667 0.70173120200569 0.24763296936255 1.008 > 7 64 H 0.00000000000000 0.70173120200569 0.74763296936255 1.008 > 7 65 H 0.33333333333333 0.70173120200569 0.74763296936255 1.008 > 7 66 H 0.66666666666667 0.70173120200569 0.74763296936255 1.008 > 7 67 H 0.16666666666667 0.79826879799431 0.49763296936255 1.008 > 8 68 H 0.50000000000000 0.79826879799431 0.49763296936255 1.008 > 8 69 H 0.83333333333333 0.79826879799431 0.49763296936255 1.008 > 8 70 H 0.16666666666667 0.79826879799431 0.99763296936255 1.008 > 8 71 H 0.50000000000000 0.79826879799431 0.99763296936255 1.008 > 8 72 H 0.83333333333333 0.79826879799431 0.99763296936255 1.008 > 8 *73 H 0.00000000000000 0.92816957136142 0.41174754139529 1.008 > 9 74 H 0.33333333333333 0.92816957136142 0.41174754139529 1.008 > 9 75 H 0.66666666666667 0.92816957136142 0.41174754139529 1.008 > 9 76 H 0.00000000000000 0.92816957136142 0.91174754139529 1.008 > 9 77 H 0.33333333333333 0.92816957136142 0.91174754139529 1.008 > 9 78 H 0.66666666666667 0.92816957136142 0.91174754139529 1.008 > 9 79 H 0.16666666666667 0.57183042863858 0.16174754139529 1.008 > 10 80 H 0.50000000000000 0.57183042863858 0.16174754139529 1.008 > 10 81 H 0.83333333333333 0.57183042863858 0.16174754139529 1.008 > 10 82 H 0.16666666666667 0.57183042863858 0.66174754139529 1.008 > 10 83 H 0.50000000000000 0.57183042863858 0.66174754139529 1.008 > 10 84 H 0.83333333333333 0.57183042863858 0.66174754139529 1.008 > 10 *85 H 0.16666666666667 0.95836754754795 0.06779836748171 1.008 > 11 86 H 0.50000000000000 0.95836754754795 0.06779836748171 1.008 > 11 87 H 0.83333333333333 0.95836754754795 0.06779836748171 1.008 > 11 88 H 0.16666666666667 0.95836754754795 0.56779836748171 1.008 > 11 89 H 0.50000000000000 0.95836754754795 0.56779836748171 1.008 > 11 90 H 0.83333333333333 0.95836754754795 0.56779836748171 1.008 > 11 91 H 0.00000000000000 0.54163245245205 0.31779836748171 1.008 > 12 92 H 0.33333333333333 0.54163245245205 0.31779836748171 1.008 > 12 93 H 0.66666666666667 0.54163245245205 0.31779836748171 1.008 > 12 94 H 0.00000000000000 0.54163245245205 0.81779836748171 1.008 > 12 95 H 0.33333333333333 0.54163245245205 0.81779836748171 1.008 > 12 96 H 0.66666666666667 0.54163245245205 0.81779836748171 1.008 > 12 97 H 0.16666666666667 0.16829797977803 0.00542782682381 1.008 > 5 98 H 0.50000000000000 0.16829797977803 0.00542782682381 1.008 > 5 99 H 0.83333333333333 0.16829797977803 0.00542782682381 1.008 > 5 100 H 0.16666666666667 0.16829797977803 0.50542782682381 1.008 > 5 101 H 0.50000000000000 0.16829797977803 0.50542782682381 1.008 > 5 102 H 0.83333333333333 0.16829797977803 0.50542782682381 1.008 > 5 103 H 0.00000000000000 0.33170202022197 0.25542782682380 1.008 > 6 104 H 0.33333333333333 0.33170202022197 0.25542782682380 1.008 > 6 105 H 0.66666666666667 0.33170202022197 0.25542782682380 1.008 > 6 106 H 0.00000000000000 0.33170202022197 0.75542782682381 1.008 > 6 107 H 0.33333333333333 0.33170202022197 0.75542782682381 1.008 > 6 108 H 0.66666666666667 0.33170202022197 0.75542782682381 1.008 > 6 109 H 0.16666666666667 0.20173120200569 0.24763296936255 1.008 > 7 110 H 0.50000000000000 0.20173120200569 0.24763296936255 1.008 > 7 111 H 0.83333333333333 0.20173120200569 0.24763296936255 1.008 > 7 112 H 0.16666666666667 0.20173120200569 0.74763296936255 1.008 > 7 113 H 0.50000000000000 0.20173120200569 0.74763296936255 1.008 > 7 114 H 0.83333333333333 0.20173120200569 0.74763296936255 1.008 > 7 115 H 0.00000000000000 0.29826879799431 0.49763296936255 1.008 > 8 116 H 0.33333333333333 0.29826879799431 0.49763296936255 1.008 > 8 117 H 0.66666666666667 0.29826879799431 0.49763296936255 1.008 > 8 118 H 0.00000000000000 0.29826879799431 0.99763296936255 1.008 > 8 119 H 0.33333333333333 0.29826879799431 0.99763296936255 1.008 > 8 120 H 0.66666666666667 0.29826879799431 0.99763296936255 1.008 > 8 121 H 0.16666666666667 0.42816957136142 0.41174754139529 1.008 > 9 122 H 0.50000000000000 0.42816957136142 0.41174754139529 1.008 > 9 123 H 0.83333333333333 0.42816957136142 0.41174754139529 1.008 > 9 124 H 0.16666666666667 0.42816957136142 0.91174754139529 1.008 > 9 125 H 0.50000000000000 0.42816957136142 0.91174754139529 1.008 > 9 126 H 0.83333333333333 0.42816957136142 0.91174754139529 1.008 > 9 127 H 0.00000000000000 0.07183042863858 0.16174754139529 1.008 > 10 128 H 0.33333333333333 0.07183042863858 0.16174754139529 1.008 > 10 129 H 0.66666666666667 0.07183042863858 0.16174754139529 1.008 > 10 130 H 0.00000000000000 0.07183042863858 0.66174754139529 1.008 > 10 131 H 0.33333333333333 0.07183042863858 0.66174754139529 1.008 > 10 132 H 0.66666666666667 0.07183042863858 0.66174754139529 1.008 > 10 133 H 0.00000000000000 0.45836754754795 0.06779836748171 1.008 > 11 134 H 0.33333333333333 0.45836754754795 0.06779836748171 1.008 > 11 135 H 0.66666666666667 0.45836754754795 0.06779836748171 1.008 > 11 136 H 0.00000000000000 0.45836754754795 0.56779836748171 1.008 > 11 137 H 0.33333333333333 0.45836754754795 0.56779836748171 1.008 > 11 138 H 0.66666666666667 0.45836754754795 0.56779836748171 1.008 > 11 139 H 0.16666666666667 0.04163245245205 0.31779836748171 1.008 > 12 140 H 0.50000000000000 0.04163245245205 0.31779836748171 1.008 > 12 141 H 0.83333333333333 0.04163245245205 0.31779836748171 1.008 > 12 142 H 0.16666666666667 0.04163245245205 0.81779836748171 1.008 > 12 143 H 0.50000000000000 0.04163245245205 0.81779836748171 1.008 > 12 144 H 0.83333333333333 0.04163245245205 0.81779836748171 1.008 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4977926 0.0000000 0.0000000 0.0000000 4.5004886 0.0000000 0.0000000 0.0000000 4.3419610 -------------------------- Born effective charges -------------------------- 1 Sr 2.2266427 0.0000000 0.0000000 0.0000000 2.0862133 -0.0535312 0.0000000 -0.0093638 2.0064586 2 Sr 2.2266427 0.0000000 0.0000000 0.0000000 2.0862133 0.0535312 0.0000000 0.0093638 2.0064586 3 Mg 1.7517216 0.0000000 0.0000000 0.0000000 1.6194301 -0.0195716 0.0000000 0.0429151 1.7702662 4 Mg 1.7517216 0.0000000 0.0000000 0.0000000 1.6194301 0.0195716 0.0000000 -0.0429151 1.7702662 5 H -0.9114207 0.0000000 0.0000000 0.0000000 -0.9275859 -0.0178543 0.0000000 0.0069600 -1.0149789 6 H -0.9114207 0.0000000 0.0000000 0.0000000 -0.9275859 0.0178543 0.0000000 -0.0069600 -1.0149789 7 H -0.9255328 0.0000000 0.0000000 0.0000000 -0.9889535 -0.0000412 0.0000000 0.1417191 -0.9299825 8 H -0.9255328 0.0000000 0.0000000 0.0000000 -0.9889535 0.0000412 0.0000000 -0.1417191 -0.9299825 9 H -1.1800384 0.0000000 0.0000000 0.0000000 -0.8235718 0.1390848 0.0000000 0.0534196 -0.8938414 10 H -1.1800384 0.0000000 0.0000000 0.0000000 -0.8235718 -0.1390848 0.0000000 -0.0534196 -0.8938414 11 H -0.9613724 0.0000000 0.0000000 0.0000000 -0.9655322 -0.1128515 0.0000000 -0.0579819 -0.9379218 12 H -0.9613724 0.0000000 0.0000000 0.0000000 -0.9655322 0.1128515 0.0000000 0.0579819 -0.9379218 ---------------------------------------------------------------------------- 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: 2088 Number of blocks in projector: 2088 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2088, 2058), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 400 - Time: 0.719 Solver_block: 200 / 400 - Time: 0.690 Solver_block: 300 / 400 - Time: 0.687 Solver_block: 400 / 400 - Time: 0.698 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.868 --------------------------------- 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: 2088 Number of blocks in projector: 2088 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 312 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2088, 2058), data: False |-- (288, 288), data: True |-- (288, 288), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (312, 306), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:06:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:06:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.969245045000000 -6.631213089999998 0.000000000000000 b 1.969245045000000 6.631213089999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.530683239999999 Atomic positions (fractional): 1 Sr 0.15039930424753 0.84960069575247 0.24483447761453 87.620 2 Sr 0.84960069575247 0.15039930424753 0.74483447761453 87.620 3 Mg 0.41511466099907 0.58488533900093 0.28895209225879 24.305 4 Mg 0.58488533900093 0.41511466099907 0.78895209225879 24.305 5 H 0.33170202022197 0.66829797977803 0.01085565364761 1.008 6 H 0.66829797977803 0.33170202022197 0.51085565364761 1.008 7 H 0.29826879799431 0.70173120200569 0.49526593872509 1.008 8 H 0.70173120200569 0.29826879799431 0.99526593872509 1.008 9 H 0.07183042863858 0.92816957136142 0.82349508279058 1.008 10 H 0.92816957136142 0.07183042863858 0.32349508279058 1.008 11 H 0.54163245245205 0.45836754754795 0.13559673496342 1.008 12 H 0.45836754754795 0.54163245245205 0.63559673496342 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.815470270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.262426179999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.061366479999998 Atomic positions (fractional): 1 Sr 0.00000000000000 0.84960069575247 0.12241723880726 87.620 > 1 2 Sr 0.33333333333333 0.84960069575247 0.12241723880726 87.620 > 1 3 Sr 0.66666666666667 0.84960069575247 0.12241723880726 87.620 > 1 4 Sr 0.00000000000000 0.84960069575247 0.62241723880726 87.620 > 1 5 Sr 0.33333333333333 0.84960069575247 0.62241723880726 87.620 > 1 6 Sr 0.66666666666667 0.84960069575247 0.62241723880726 87.620 > 1 7 Sr 0.16666666666667 0.65039930424753 0.37241723880726 87.620 > 7 8 Sr 0.50000000000000 0.65039930424753 0.37241723880726 87.620 > 7 9 Sr 0.83333333333333 0.65039930424753 0.37241723880726 87.620 > 7 10 Sr 0.16666666666667 0.65039930424753 0.87241723880726 87.620 > 7 11 Sr 0.50000000000000 0.65039930424753 0.87241723880726 87.620 > 7 12 Sr 0.83333333333333 0.65039930424753 0.87241723880726 87.620 > 7 13 Sr 0.16666666666667 0.34960069575247 0.12241723880726 87.620 > 1 14 Sr 0.50000000000000 0.34960069575247 0.12241723880726 87.620 > 1 15 Sr 0.83333333333333 0.34960069575247 0.12241723880726 87.620 > 1 16 Sr 0.16666666666667 0.34960069575247 0.62241723880726 87.620 > 1 17 Sr 0.50000000000000 0.34960069575247 0.62241723880726 87.620 > 1 18 Sr 0.83333333333333 0.34960069575247 0.62241723880726 87.620 > 1 19 Sr 0.00000000000000 0.15039930424753 0.37241723880726 87.620 > 7 20 Sr 0.33333333333333 0.15039930424753 0.37241723880726 87.620 > 7 21 Sr 0.66666666666667 0.15039930424753 0.37241723880726 87.620 > 7 22 Sr 0.00000000000000 0.15039930424753 0.87241723880726 87.620 > 7 23 Sr 0.33333333333333 0.15039930424753 0.87241723880726 87.620 > 7 24 Sr 0.66666666666667 0.15039930424753 0.87241723880726 87.620 > 7 25 Mg 0.00000000000000 0.58488533900093 0.14447604612939 24.305 > 25 26 Mg 0.33333333333333 0.58488533900093 0.14447604612939 24.305 > 25 27 Mg 0.66666666666667 0.58488533900093 0.14447604612939 24.305 > 25 28 Mg 0.00000000000000 0.58488533900093 0.64447604612939 24.305 > 25 29 Mg 0.33333333333333 0.58488533900093 0.64447604612939 24.305 > 25 30 Mg 0.66666666666667 0.58488533900093 0.64447604612939 24.305 > 25 31 Mg 0.16666666666667 0.91511466099907 0.39447604612939 24.305 > 31 32 Mg 0.50000000000000 0.91511466099907 0.39447604612939 24.305 > 31 33 Mg 0.83333333333333 0.91511466099907 0.39447604612939 24.305 > 31 34 Mg 0.16666666666667 0.91511466099907 0.89447604612939 24.305 > 31 35 Mg 0.50000000000000 0.91511466099907 0.89447604612939 24.305 > 31 36 Mg 0.83333333333333 0.91511466099907 0.89447604612939 24.305 > 31 37 Mg 0.16666666666667 0.08488533900093 0.14447604612939 24.305 > 25 38 Mg 0.50000000000000 0.08488533900093 0.14447604612939 24.305 > 25 39 Mg 0.83333333333333 0.08488533900093 0.14447604612939 24.305 > 25 40 Mg 0.16666666666667 0.08488533900093 0.64447604612939 24.305 > 25 41 Mg 0.50000000000000 0.08488533900093 0.64447604612939 24.305 > 25 42 Mg 0.83333333333333 0.08488533900093 0.64447604612939 24.305 > 25 43 Mg 0.00000000000000 0.41511466099907 0.39447604612939 24.305 > 31 44 Mg 0.33333333333333 0.41511466099907 0.39447604612939 24.305 > 31 45 Mg 0.66666666666667 0.41511466099907 0.39447604612939 24.305 > 31 46 Mg 0.00000000000000 0.41511466099907 0.89447604612939 24.305 > 31 47 Mg 0.33333333333333 0.41511466099907 0.89447604612939 24.305 > 31 48 Mg 0.66666666666667 0.41511466099907 0.89447604612939 24.305 > 31 49 H 0.00000000000000 0.66829797977803 0.00542782682381 1.008 > 49 50 H 0.33333333333333 0.66829797977803 0.00542782682381 1.008 > 49 51 H 0.66666666666667 0.66829797977803 0.00542782682381 1.008 > 49 52 H 0.00000000000000 0.66829797977803 0.50542782682381 1.008 > 49 53 H 0.33333333333333 0.66829797977803 0.50542782682381 1.008 > 49 54 H 0.66666666666667 0.66829797977803 0.50542782682381 1.008 > 49 55 H 0.16666666666667 0.83170202022197 0.25542782682380 1.008 > 55 56 H 0.50000000000000 0.83170202022197 0.25542782682380 1.008 > 55 57 H 0.83333333333333 0.83170202022197 0.25542782682380 1.008 > 55 58 H 0.16666666666667 0.83170202022197 0.75542782682381 1.008 > 55 59 H 0.50000000000000 0.83170202022197 0.75542782682381 1.008 > 55 60 H 0.83333333333333 0.83170202022197 0.75542782682381 1.008 > 55 61 H 0.00000000000000 0.70173120200569 0.24763296936255 1.008 > 61 62 H 0.33333333333333 0.70173120200569 0.24763296936255 1.008 > 61 63 H 0.66666666666667 0.70173120200569 0.24763296936255 1.008 > 61 64 H 0.00000000000000 0.70173120200569 0.74763296936255 1.008 > 61 65 H 0.33333333333333 0.70173120200569 0.74763296936255 1.008 > 61 66 H 0.66666666666667 0.70173120200569 0.74763296936255 1.008 > 61 67 H 0.16666666666667 0.79826879799431 0.49763296936255 1.008 > 67 68 H 0.50000000000000 0.79826879799431 0.49763296936255 1.008 > 67 69 H 0.83333333333333 0.79826879799431 0.49763296936255 1.008 > 67 70 H 0.16666666666667 0.79826879799431 0.99763296936255 1.008 > 67 71 H 0.50000000000000 0.79826879799431 0.99763296936255 1.008 > 67 72 H 0.83333333333333 0.79826879799431 0.99763296936255 1.008 > 67 73 H 0.00000000000000 0.92816957136142 0.41174754139529 1.008 > 73 74 H 0.33333333333333 0.92816957136142 0.41174754139529 1.008 > 73 75 H 0.66666666666667 0.92816957136142 0.41174754139529 1.008 > 73 76 H 0.00000000000000 0.92816957136142 0.91174754139529 1.008 > 73 77 H 0.33333333333333 0.92816957136142 0.91174754139529 1.008 > 73 78 H 0.66666666666667 0.92816957136142 0.91174754139529 1.008 > 73 79 H 0.16666666666667 0.57183042863858 0.16174754139529 1.008 > 79 80 H 0.50000000000000 0.57183042863858 0.16174754139529 1.008 > 79 81 H 0.83333333333333 0.57183042863858 0.16174754139529 1.008 > 79 82 H 0.16666666666667 0.57183042863858 0.66174754139529 1.008 > 79 83 H 0.50000000000000 0.57183042863858 0.66174754139529 1.008 > 79 84 H 0.83333333333333 0.57183042863858 0.66174754139529 1.008 > 79 85 H 0.16666666666667 0.95836754754795 0.06779836748171 1.008 > 85 86 H 0.50000000000000 0.95836754754795 0.06779836748171 1.008 > 85 87 H 0.83333333333333 0.95836754754795 0.06779836748171 1.008 > 85 88 H 0.16666666666667 0.95836754754795 0.56779836748171 1.008 > 85 89 H 0.50000000000000 0.95836754754795 0.56779836748171 1.008 > 85 90 H 0.83333333333333 0.95836754754795 0.56779836748171 1.008 > 85 91 H 0.00000000000000 0.54163245245205 0.31779836748171 1.008 > 91 92 H 0.33333333333333 0.54163245245205 0.31779836748171 1.008 > 91 93 H 0.66666666666667 0.54163245245205 0.31779836748171 1.008 > 91 94 H 0.00000000000000 0.54163245245205 0.81779836748171 1.008 > 91 95 H 0.33333333333333 0.54163245245205 0.81779836748171 1.008 > 91 96 H 0.66666666666667 0.54163245245205 0.81779836748171 1.008 > 91 97 H 0.16666666666667 0.16829797977803 0.00542782682381 1.008 > 49 98 H 0.50000000000000 0.16829797977803 0.00542782682381 1.008 > 49 99 H 0.83333333333333 0.16829797977803 0.00542782682381 1.008 > 49 100 H 0.16666666666667 0.16829797977803 0.50542782682381 1.008 > 49 101 H 0.50000000000000 0.16829797977803 0.50542782682381 1.008 > 49 102 H 0.83333333333333 0.16829797977803 0.50542782682381 1.008 > 49 103 H 0.00000000000000 0.33170202022197 0.25542782682380 1.008 > 55 104 H 0.33333333333333 0.33170202022197 0.25542782682380 1.008 > 55 105 H 0.66666666666667 0.33170202022197 0.25542782682380 1.008 > 55 106 H 0.00000000000000 0.33170202022197 0.75542782682381 1.008 > 55 107 H 0.33333333333333 0.33170202022197 0.75542782682381 1.008 > 55 108 H 0.66666666666667 0.33170202022197 0.75542782682381 1.008 > 55 109 H 0.16666666666667 0.20173120200569 0.24763296936255 1.008 > 61 110 H 0.50000000000000 0.20173120200569 0.24763296936255 1.008 > 61 111 H 0.83333333333333 0.20173120200569 0.24763296936255 1.008 > 61 112 H 0.16666666666667 0.20173120200569 0.74763296936255 1.008 > 61 113 H 0.50000000000000 0.20173120200569 0.74763296936255 1.008 > 61 114 H 0.83333333333333 0.20173120200569 0.74763296936255 1.008 > 61 115 H 0.00000000000000 0.29826879799431 0.49763296936255 1.008 > 67 116 H 0.33333333333333 0.29826879799431 0.49763296936255 1.008 > 67 117 H 0.66666666666667 0.29826879799431 0.49763296936255 1.008 > 67 118 H 0.00000000000000 0.29826879799431 0.99763296936255 1.008 > 67 119 H 0.33333333333333 0.29826879799431 0.99763296936255 1.008 > 67 120 H 0.66666666666667 0.29826879799431 0.99763296936255 1.008 > 67 121 H 0.16666666666667 0.42816957136142 0.41174754139529 1.008 > 73 122 H 0.50000000000000 0.42816957136142 0.41174754139529 1.008 > 73 123 H 0.83333333333333 0.42816957136142 0.41174754139529 1.008 > 73 124 H 0.16666666666667 0.42816957136142 0.91174754139529 1.008 > 73 125 H 0.50000000000000 0.42816957136142 0.91174754139529 1.008 > 73 126 H 0.83333333333333 0.42816957136142 0.91174754139529 1.008 > 73 127 H 0.00000000000000 0.07183042863858 0.16174754139529 1.008 > 79 128 H 0.33333333333333 0.07183042863858 0.16174754139529 1.008 > 79 129 H 0.66666666666667 0.07183042863858 0.16174754139529 1.008 > 79 130 H 0.00000000000000 0.07183042863858 0.66174754139529 1.008 > 79 131 H 0.33333333333333 0.07183042863858 0.66174754139529 1.008 > 79 132 H 0.66666666666667 0.07183042863858 0.66174754139529 1.008 > 79 133 H 0.00000000000000 0.45836754754795 0.06779836748171 1.008 > 85 134 H 0.33333333333333 0.45836754754795 0.06779836748171 1.008 > 85 135 H 0.66666666666667 0.45836754754795 0.06779836748171 1.008 > 85 136 H 0.00000000000000 0.45836754754795 0.56779836748171 1.008 > 85 137 H 0.33333333333333 0.45836754754795 0.56779836748171 1.008 > 85 138 H 0.66666666666667 0.45836754754795 0.56779836748171 1.008 > 85 139 H 0.16666666666667 0.04163245245205 0.31779836748171 1.008 > 91 140 H 0.50000000000000 0.04163245245205 0.31779836748171 1.008 > 91 141 H 0.83333333333333 0.04163245245205 0.31779836748171 1.008 > 91 142 H 0.16666666666667 0.04163245245205 0.81779836748171 1.008 > 91 143 H 0.50000000000000 0.04163245245205 0.81779836748171 1.008 > 91 144 H 0.83333333333333 0.04163245245205 0.81779836748171 1.008 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4977926 0.0000000 0.0000000 0.0000000 4.5004886 0.0000000 0.0000000 0.0000000 4.3419610 -------------------------- Born effective charges -------------------------- 1 Sr 2.2266427 0.0000000 0.0000000 0.0000000 2.0862133 -0.0535312 0.0000000 -0.0093638 2.0064586 2 Sr 2.2266427 0.0000000 0.0000000 0.0000000 2.0862133 0.0535312 0.0000000 0.0093638 2.0064586 3 Mg 1.7517216 0.0000000 0.0000000 0.0000000 1.6194301 -0.0195716 0.0000000 0.0429151 1.7702662 4 Mg 1.7517216 0.0000000 0.0000000 0.0000000 1.6194301 0.0195716 0.0000000 -0.0429151 1.7702662 5 H -0.9114207 0.0000000 0.0000000 0.0000000 -0.9275859 -0.0178543 0.0000000 0.0069600 -1.0149789 6 H -0.9114207 0.0000000 0.0000000 0.0000000 -0.9275859 0.0178543 0.0000000 -0.0069600 -1.0149789 7 H -0.9255328 0.0000000 0.0000000 0.0000000 -0.9889535 -0.0000412 0.0000000 0.1417191 -0.9299825 8 H -0.9255328 0.0000000 0.0000000 0.0000000 -0.9889535 0.0000412 0.0000000 -0.1417191 -0.9299825 9 H -1.1800384 0.0000000 0.0000000 0.0000000 -0.8235718 0.1390848 0.0000000 0.0534196 -0.8938414 10 H -1.1800384 0.0000000 0.0000000 0.0000000 -0.8235718 -0.1390848 0.0000000 -0.0534196 -0.8938414 11 H -0.9613724 0.0000000 0.0000000 0.0000000 -0.9655322 -0.1128515 0.0000000 -0.0579819 -0.9379218 12 H -0.9613724 0.0000000 0.0000000 0.0000000 -0.9655322 0.1128515 0.0000000 0.0579819 -0.9379218 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:07:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:07:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmc2_1 (36) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 1.969245045000000 -6.631213089999998 0.000000000000000 b 1.969245045000000 6.631213089999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.530683239999999 Atomic positions (fractional): 1 Sr 0.15039930424753 0.84960069575247 0.24483447761453 87.620 2 Sr 0.84960069575247 0.15039930424753 0.74483447761453 87.620 3 Mg 0.41511466099907 0.58488533900093 0.28895209225879 24.305 4 Mg 0.58488533900093 0.41511466099907 0.78895209225879 24.305 5 H 0.33170202022197 0.66829797977803 0.01085565364761 1.008 6 H 0.66829797977803 0.33170202022197 0.51085565364761 1.008 7 H 0.29826879799431 0.70173120200569 0.49526593872509 1.008 8 H 0.70173120200569 0.29826879799431 0.99526593872509 1.008 9 H 0.07183042863858 0.92816957136142 0.82349508279058 1.008 10 H 0.92816957136142 0.07183042863858 0.32349508279058 1.008 11 H 0.54163245245205 0.45836754754795 0.13559673496342 1.008 12 H 0.45836754754795 0.54163245245205 0.63559673496342 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.815470270000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.262426179999997 0.000000000000000 c 0.000000000000000 0.000000000000000 11.061366479999998 Atomic positions (fractional): 1 Sr 0.00000000000000 0.84960069575247 0.12241723880726 87.620 > 1 2 Sr 0.33333333333333 0.84960069575247 0.12241723880726 87.620 > 1 3 Sr 0.66666666666667 0.84960069575247 0.12241723880726 87.620 > 1 4 Sr 0.00000000000000 0.84960069575247 0.62241723880726 87.620 > 1 5 Sr 0.33333333333333 0.84960069575247 0.62241723880726 87.620 > 1 6 Sr 0.66666666666667 0.84960069575247 0.62241723880726 87.620 > 1 7 Sr 0.16666666666667 0.65039930424753 0.37241723880726 87.620 > 7 8 Sr 0.50000000000000 0.65039930424753 0.37241723880726 87.620 > 7 9 Sr 0.83333333333333 0.65039930424753 0.37241723880726 87.620 > 7 10 Sr 0.16666666666667 0.65039930424753 0.87241723880726 87.620 > 7 11 Sr 0.50000000000000 0.65039930424753 0.87241723880726 87.620 > 7 12 Sr 0.83333333333333 0.65039930424753 0.87241723880726 87.620 > 7 13 Sr 0.16666666666667 0.34960069575247 0.12241723880726 87.620 > 1 14 Sr 0.50000000000000 0.34960069575247 0.12241723880726 87.620 > 1 15 Sr 0.83333333333333 0.34960069575247 0.12241723880726 87.620 > 1 16 Sr 0.16666666666667 0.34960069575247 0.62241723880726 87.620 > 1 17 Sr 0.50000000000000 0.34960069575247 0.62241723880726 87.620 > 1 18 Sr 0.83333333333333 0.34960069575247 0.62241723880726 87.620 > 1 19 Sr 0.00000000000000 0.15039930424753 0.37241723880726 87.620 > 7 20 Sr 0.33333333333333 0.15039930424753 0.37241723880726 87.620 > 7 21 Sr 0.66666666666667 0.15039930424753 0.37241723880726 87.620 > 7 22 Sr 0.00000000000000 0.15039930424753 0.87241723880726 87.620 > 7 23 Sr 0.33333333333333 0.15039930424753 0.87241723880726 87.620 > 7 24 Sr 0.66666666666667 0.15039930424753 0.87241723880726 87.620 > 7 25 Mg 0.00000000000000 0.58488533900093 0.14447604612939 24.305 > 25 26 Mg 0.33333333333333 0.58488533900093 0.14447604612939 24.305 > 25 27 Mg 0.66666666666667 0.58488533900093 0.14447604612939 24.305 > 25 28 Mg 0.00000000000000 0.58488533900093 0.64447604612939 24.305 > 25 29 Mg 0.33333333333333 0.58488533900093 0.64447604612939 24.305 > 25 30 Mg 0.66666666666667 0.58488533900093 0.64447604612939 24.305 > 25 31 Mg 0.16666666666667 0.91511466099907 0.39447604612939 24.305 > 31 32 Mg 0.50000000000000 0.91511466099907 0.39447604612939 24.305 > 31 33 Mg 0.83333333333333 0.91511466099907 0.39447604612939 24.305 > 31 34 Mg 0.16666666666667 0.91511466099907 0.89447604612939 24.305 > 31 35 Mg 0.50000000000000 0.91511466099907 0.89447604612939 24.305 > 31 36 Mg 0.83333333333333 0.91511466099907 0.89447604612939 24.305 > 31 37 Mg 0.16666666666667 0.08488533900093 0.14447604612939 24.305 > 25 38 Mg 0.50000000000000 0.08488533900093 0.14447604612939 24.305 > 25 39 Mg 0.83333333333333 0.08488533900093 0.14447604612939 24.305 > 25 40 Mg 0.16666666666667 0.08488533900093 0.64447604612939 24.305 > 25 41 Mg 0.50000000000000 0.08488533900093 0.64447604612939 24.305 > 25 42 Mg 0.83333333333333 0.08488533900093 0.64447604612939 24.305 > 25 43 Mg 0.00000000000000 0.41511466099907 0.39447604612939 24.305 > 31 44 Mg 0.33333333333333 0.41511466099907 0.39447604612939 24.305 > 31 45 Mg 0.66666666666667 0.41511466099907 0.39447604612939 24.305 > 31 46 Mg 0.00000000000000 0.41511466099907 0.89447604612939 24.305 > 31 47 Mg 0.33333333333333 0.41511466099907 0.89447604612939 24.305 > 31 48 Mg 0.66666666666667 0.41511466099907 0.89447604612939 24.305 > 31 49 H 0.00000000000000 0.66829797977803 0.00542782682381 1.008 > 49 50 H 0.33333333333333 0.66829797977803 0.00542782682381 1.008 > 49 51 H 0.66666666666667 0.66829797977803 0.00542782682381 1.008 > 49 52 H 0.00000000000000 0.66829797977803 0.50542782682381 1.008 > 49 53 H 0.33333333333333 0.66829797977803 0.50542782682381 1.008 > 49 54 H 0.66666666666667 0.66829797977803 0.50542782682381 1.008 > 49 55 H 0.16666666666667 0.83170202022197 0.25542782682380 1.008 > 55 56 H 0.50000000000000 0.83170202022197 0.25542782682380 1.008 > 55 57 H 0.83333333333333 0.83170202022197 0.25542782682380 1.008 > 55 58 H 0.16666666666667 0.83170202022197 0.75542782682381 1.008 > 55 59 H 0.50000000000000 0.83170202022197 0.75542782682381 1.008 > 55 60 H 0.83333333333333 0.83170202022197 0.75542782682381 1.008 > 55 61 H 0.00000000000000 0.70173120200569 0.24763296936255 1.008 > 61 62 H 0.33333333333333 0.70173120200569 0.24763296936255 1.008 > 61 63 H 0.66666666666667 0.70173120200569 0.24763296936255 1.008 > 61 64 H 0.00000000000000 0.70173120200569 0.74763296936255 1.008 > 61 65 H 0.33333333333333 0.70173120200569 0.74763296936255 1.008 > 61 66 H 0.66666666666667 0.70173120200569 0.74763296936255 1.008 > 61 67 H 0.16666666666667 0.79826879799431 0.49763296936255 1.008 > 67 68 H 0.50000000000000 0.79826879799431 0.49763296936255 1.008 > 67 69 H 0.83333333333333 0.79826879799431 0.49763296936255 1.008 > 67 70 H 0.16666666666667 0.79826879799431 0.99763296936255 1.008 > 67 71 H 0.50000000000000 0.79826879799431 0.99763296936255 1.008 > 67 72 H 0.83333333333333 0.79826879799431 0.99763296936255 1.008 > 67 73 H 0.00000000000000 0.92816957136142 0.41174754139529 1.008 > 73 74 H 0.33333333333333 0.92816957136142 0.41174754139529 1.008 > 73 75 H 0.66666666666667 0.92816957136142 0.41174754139529 1.008 > 73 76 H 0.00000000000000 0.92816957136142 0.91174754139529 1.008 > 73 77 H 0.33333333333333 0.92816957136142 0.91174754139529 1.008 > 73 78 H 0.66666666666667 0.92816957136142 0.91174754139529 1.008 > 73 79 H 0.16666666666667 0.57183042863858 0.16174754139529 1.008 > 79 80 H 0.50000000000000 0.57183042863858 0.16174754139529 1.008 > 79 81 H 0.83333333333333 0.57183042863858 0.16174754139529 1.008 > 79 82 H 0.16666666666667 0.57183042863858 0.66174754139529 1.008 > 79 83 H 0.50000000000000 0.57183042863858 0.66174754139529 1.008 > 79 84 H 0.83333333333333 0.57183042863858 0.66174754139529 1.008 > 79 85 H 0.16666666666667 0.95836754754795 0.06779836748171 1.008 > 85 86 H 0.50000000000000 0.95836754754795 0.06779836748171 1.008 > 85 87 H 0.83333333333333 0.95836754754795 0.06779836748171 1.008 > 85 88 H 0.16666666666667 0.95836754754795 0.56779836748171 1.008 > 85 89 H 0.50000000000000 0.95836754754795 0.56779836748171 1.008 > 85 90 H 0.83333333333333 0.95836754754795 0.56779836748171 1.008 > 85 91 H 0.00000000000000 0.54163245245205 0.31779836748171 1.008 > 91 92 H 0.33333333333333 0.54163245245205 0.31779836748171 1.008 > 91 93 H 0.66666666666667 0.54163245245205 0.31779836748171 1.008 > 91 94 H 0.00000000000000 0.54163245245205 0.81779836748171 1.008 > 91 95 H 0.33333333333333 0.54163245245205 0.81779836748171 1.008 > 91 96 H 0.66666666666667 0.54163245245205 0.81779836748171 1.008 > 91 97 H 0.16666666666667 0.16829797977803 0.00542782682381 1.008 > 49 98 H 0.50000000000000 0.16829797977803 0.00542782682381 1.008 > 49 99 H 0.83333333333333 0.16829797977803 0.00542782682381 1.008 > 49 100 H 0.16666666666667 0.16829797977803 0.50542782682381 1.008 > 49 101 H 0.50000000000000 0.16829797977803 0.50542782682381 1.008 > 49 102 H 0.83333333333333 0.16829797977803 0.50542782682381 1.008 > 49 103 H 0.00000000000000 0.33170202022197 0.25542782682380 1.008 > 55 104 H 0.33333333333333 0.33170202022197 0.25542782682380 1.008 > 55 105 H 0.66666666666667 0.33170202022197 0.25542782682380 1.008 > 55 106 H 0.00000000000000 0.33170202022197 0.75542782682381 1.008 > 55 107 H 0.33333333333333 0.33170202022197 0.75542782682381 1.008 > 55 108 H 0.66666666666667 0.33170202022197 0.75542782682381 1.008 > 55 109 H 0.16666666666667 0.20173120200569 0.24763296936255 1.008 > 61 110 H 0.50000000000000 0.20173120200569 0.24763296936255 1.008 > 61 111 H 0.83333333333333 0.20173120200569 0.24763296936255 1.008 > 61 112 H 0.16666666666667 0.20173120200569 0.74763296936255 1.008 > 61 113 H 0.50000000000000 0.20173120200569 0.74763296936255 1.008 > 61 114 H 0.83333333333333 0.20173120200569 0.74763296936255 1.008 > 61 115 H 0.00000000000000 0.29826879799431 0.49763296936255 1.008 > 67 116 H 0.33333333333333 0.29826879799431 0.49763296936255 1.008 > 67 117 H 0.66666666666667 0.29826879799431 0.49763296936255 1.008 > 67 118 H 0.00000000000000 0.29826879799431 0.99763296936255 1.008 > 67 119 H 0.33333333333333 0.29826879799431 0.99763296936255 1.008 > 67 120 H 0.66666666666667 0.29826879799431 0.99763296936255 1.008 > 67 121 H 0.16666666666667 0.42816957136142 0.41174754139529 1.008 > 73 122 H 0.50000000000000 0.42816957136142 0.41174754139529 1.008 > 73 123 H 0.83333333333333 0.42816957136142 0.41174754139529 1.008 > 73 124 H 0.16666666666667 0.42816957136142 0.91174754139529 1.008 > 73 125 H 0.50000000000000 0.42816957136142 0.91174754139529 1.008 > 73 126 H 0.83333333333333 0.42816957136142 0.91174754139529 1.008 > 73 127 H 0.00000000000000 0.07183042863858 0.16174754139529 1.008 > 79 128 H 0.33333333333333 0.07183042863858 0.16174754139529 1.008 > 79 129 H 0.66666666666667 0.07183042863858 0.16174754139529 1.008 > 79 130 H 0.00000000000000 0.07183042863858 0.66174754139529 1.008 > 79 131 H 0.33333333333333 0.07183042863858 0.66174754139529 1.008 > 79 132 H 0.66666666666667 0.07183042863858 0.66174754139529 1.008 > 79 133 H 0.00000000000000 0.45836754754795 0.06779836748171 1.008 > 85 134 H 0.33333333333333 0.45836754754795 0.06779836748171 1.008 > 85 135 H 0.66666666666667 0.45836754754795 0.06779836748171 1.008 > 85 136 H 0.00000000000000 0.45836754754795 0.56779836748171 1.008 > 85 137 H 0.33333333333333 0.45836754754795 0.56779836748171 1.008 > 85 138 H 0.66666666666667 0.45836754754795 0.56779836748171 1.008 > 85 139 H 0.16666666666667 0.04163245245205 0.31779836748171 1.008 > 91 140 H 0.50000000000000 0.04163245245205 0.31779836748171 1.008 > 91 141 H 0.83333333333333 0.04163245245205 0.31779836748171 1.008 > 91 142 H 0.16666666666667 0.04163245245205 0.81779836748171 1.008 > 91 143 H 0.50000000000000 0.04163245245205 0.81779836748171 1.008 > 91 144 H 0.83333333333333 0.04163245245205 0.81779836748171 1.008 > 91 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4977926 0.0000000 0.0000000 0.0000000 4.5004886 0.0000000 0.0000000 0.0000000 4.3419610 -------------------------- Born effective charges -------------------------- 1 Sr 2.2266427 0.0000000 0.0000000 0.0000000 2.0862133 -0.0535312 0.0000000 -0.0093638 2.0064586 2 Sr 2.2266427 0.0000000 0.0000000 0.0000000 2.0862133 0.0535312 0.0000000 0.0093638 2.0064586 3 Mg 1.7517216 0.0000000 0.0000000 0.0000000 1.6194301 -0.0195716 0.0000000 0.0429151 1.7702662 4 Mg 1.7517216 0.0000000 0.0000000 0.0000000 1.6194301 0.0195716 0.0000000 -0.0429151 1.7702662 5 H -0.9114207 0.0000000 0.0000000 0.0000000 -0.9275859 -0.0178543 0.0000000 0.0069600 -1.0149789 6 H -0.9114207 0.0000000 0.0000000 0.0000000 -0.9275859 0.0178543 0.0000000 -0.0069600 -1.0149789 7 H -0.9255328 0.0000000 0.0000000 0.0000000 -0.9889535 -0.0000412 0.0000000 0.1417191 -0.9299825 8 H -0.9255328 0.0000000 0.0000000 0.0000000 -0.9889535 0.0000412 0.0000000 -0.1417191 -0.9299825 9 H -1.1800384 0.0000000 0.0000000 0.0000000 -0.8235718 0.1390848 0.0000000 0.0534196 -0.8938414 10 H -1.1800384 0.0000000 0.0000000 0.0000000 -0.8235718 -0.1390848 0.0000000 -0.0534196 -0.8938414 11 H -0.9613724 0.0000000 0.0000000 0.0000000 -0.9655322 -0.1128515 0.0000000 -0.0579819 -0.9379218 12 H -0.9613724 0.0000000 0.0000000 0.0000000 -0.9655322 0.1128515 0.0000000 0.0579819 -0.9379218 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.79, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/245) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.543 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.462 ( 0.000 0.000 -0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 7.516 ( 0.000 0.000 0.000) 0.000 14.745 ( 0.000 0.000 -0.000) 0.000 16.188 ( 0.000 0.000 0.000) 0.000 17.294 ( 0.000 0.000 -0.000) 0.000 19.474 ( 0.000 0.000 0.000) 0.000 20.003 ( 0.000 0.000 0.000) 0.000 20.027 ( 0.000 0.000 0.000) 0.000 21.297 ( 0.000 0.000 -0.000) 0.000 21.548 ( 0.000 0.000 0.000) 0.000 22.044 ( 0.000 0.000 0.000) 0.000 22.270 ( 0.000 0.000 -0.000) 0.000 22.517 ( 0.000 0.000 0.000) 0.000 25.224 ( 0.000 0.000 -0.000) 0.000 25.407 ( 0.000 0.000 0.000) 0.000 25.855 ( 0.000 0.000 0.000) 0.000 27.108 ( 0.000 0.000 -0.000) 0.000 28.577 ( 0.000 0.000 0.000) 0.000 31.755 ( 0.000 0.000 -0.000) 0.000 32.941 ( 0.000 0.000 -0.000) 0.000 36.243 ( 0.000 0.000 0.000) 0.000 36.506 ( 0.000 0.000 0.000) 0.000 37.000 ( 0.000 0.000 0.000) 0.000 37.442 ( 0.000 0.000 0.000) 0.000 40.467 ( 0.000 0.000 -0.000) 0.000 41.911 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/245) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 30.475 -8.970 0.000) 31.768 0.833 ( 39.854 -6.047 0.000) 40.310 1.227 ( 57.764 -11.258 0.000) 58.851 2.647 ( 2.487 -11.016 0.000) 11.294 2.659 ( -2.011 -2.878 0.000) 3.511 3.273 ( 8.985 1.615 0.000) 9.129 5.389 ( 4.909 -7.366 0.000) 8.852 5.460 ( 0.696 -1.527 0.000) 1.678 5.721 ( 14.148 0.004 0.000) 14.148 5.934 ( 15.347 0.224 0.000) 15.349 6.970 ( -0.263 -0.299 0.000) 0.398 7.527 ( -1.140 -4.285 0.000) 4.434 14.763 ( -9.860 -15.471 0.000) 18.346 15.852 ( -33.428 1.838 0.000) 33.479 17.214 ( -21.559 -26.328 0.000) 34.028 19.435 ( -7.937 -0.186 0.000) 7.940 19.715 ( -13.801 0.969 0.000) 13.835 20.629 ( -69.990 -2.346 0.000) 70.029 21.568 ( 7.637 0.505 0.000) 7.654 21.861 ( 35.017 0.654 0.000) 35.023 22.541 ( 6.024 0.494 0.000) 6.044 23.328 ( 55.734 6.796 0.000) 56.147 25.186 ( 7.912 33.395 0.000) 34.319 25.394 ( 10.524 6.364 0.000) 12.299 25.579 ( -11.032 -15.180 0.000) 18.765 27.160 ( 4.433 -0.707 0.000) 4.489 28.409 ( 5.058 39.685 0.000) 40.006 28.938 ( 13.109 57.061 0.000) 58.547 31.757 ( -0.511 -2.336 0.000) 2.392 33.146 ( -22.335 -65.325 0.000) 69.038 36.129 ( -13.620 -3.866 0.000) 14.158 36.383 ( -12.167 -0.292 0.000) 12.170 36.990 ( -1.516 0.003 0.000) 1.516 39.144 ( 14.107 28.817 0.000) 32.085 40.483 ( 1.896 1.220 0.000) 2.255 42.012 ( 1.929 -12.605 0.000) 12.752 ======================= Grid point 2 (3/245) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 23.948 -7.485 0.000) 25.091 1.603 ( 35.009 -5.170 0.000) 35.389 2.352 ( 49.364 -8.725 0.000) 50.129 2.612 ( -2.993 -4.778 0.000) 5.638 2.837 ( 11.846 -4.542 0.000) 12.687 3.496 ( 14.429 2.547 0.000) 14.652 5.494 ( 4.668 0.428 0.000) 4.688 5.608 ( 12.575 -1.060 0.000) 12.620 6.095 ( 23.374 -0.232 0.000) 23.376 6.341 ( 25.146 0.443 0.000) 25.150 6.967 ( -0.186 -0.584 0.000) 0.613 7.544 ( 0.966 -3.447 0.000) 3.580 14.587 ( -13.354 -0.030 0.000) 13.354 14.922 ( -57.692 2.328 0.000) 57.739 16.921 ( -19.575 -18.385 0.000) 26.855 19.090 ( -44.412 6.854 0.000) 44.937 19.295 ( -39.136 -8.979 0.000) 40.152 19.647 ( -0.037 3.888 0.000) 3.888 21.825 ( 15.144 0.577 0.000) 15.155 22.175 ( -1.457 -3.637 0.000) 3.917 23.038 ( 41.444 1.214 0.000) 41.462 24.203 ( 37.733 13.430 0.000) 40.052 25.076 ( -8.031 4.912 0.000) 9.414 25.425 ( 0.898 -3.452 0.000) 3.566 25.726 ( 16.898 1.495 0.000) 16.964 27.256 ( 3.782 -2.537 0.000) 4.554 28.217 ( -7.717 16.624 0.000) 18.328 28.836 ( 3.354 32.798 0.000) 32.969 31.762 ( -0.899 -4.085 0.000) 4.183 33.060 ( -13.883 -27.333 0.000) 30.657 35.830 ( -16.961 -0.292 0.000) 16.964 36.074 ( -18.434 -0.376 0.000) 18.438 36.918 ( -5.956 0.522 0.000) 5.979 39.270 ( 9.430 9.344 0.000) 13.276 40.524 ( 3.209 2.069 0.000) 3.818 42.156 ( 6.916 -5.640 0.000) 8.924 ======================= Grid point 3 (4/245) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 14.888 -4.085 0.000) 15.438 2.199 ( 18.875 -3.606 0.000) 19.217 2.579 ( 3.775 -7.308 0.000) 8.225 3.104 ( 18.519 0.239 0.000) 18.520 3.350 ( 38.854 -9.336 0.000) 39.959 3.783 ( 16.021 2.283 0.000) 16.183 5.632 ( 9.674 -1.208 0.000) 9.749 5.887 ( 15.711 2.851 0.000) 15.968 6.601 ( 27.176 -0.587 0.000) 27.182 6.852 ( 25.419 1.017 0.000) 25.439 6.980 ( 1.982 -1.497 0.000) 2.484 7.625 ( 5.651 -3.836 0.000) 6.830 13.649 ( -67.134 3.855 0.000) 67.245 14.287 ( -16.379 3.564 0.000) 16.762 16.702 ( -13.764 -16.109 0.000) 21.188 17.839 ( -62.622 -7.158 0.000) 63.030 19.067 ( -6.264 -1.147 0.000) 6.369 19.626 ( 2.004 14.578 0.000) 14.715 21.923 ( -6.523 4.070 0.000) 7.689 22.277 ( 11.638 -11.514 0.000) 16.372 23.839 ( 37.373 0.965 0.000) 37.385 24.492 ( 0.578 14.952 0.000) 14.963 25.049 ( 6.663 -11.861 0.000) 13.605 25.545 ( 10.689 5.955 0.000) 12.236 26.072 ( 18.561 2.460 0.000) 18.724 27.324 ( 0.719 -4.820 0.000) 4.874 27.939 ( -11.664 10.665 0.000) 15.805 28.697 ( -0.850 22.753 0.000) 22.769 31.769 ( -0.984 -4.889 0.000) 4.987 32.926 ( -11.653 -13.091 0.000) 17.526 35.504 ( -15.660 1.180 0.000) 15.704 35.711 ( -18.399 -1.710 0.000) 18.478 36.755 ( -9.855 1.506 0.000) 9.970 39.385 ( 5.720 2.827 0.000) 6.381 40.578 ( 3.394 2.336 0.000) 4.120 42.326 ( 7.401 -3.052 0.000) 8.006 ======================= Grid point 4 (5/245) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 4.133 1.550 0.000) 4.414 2.316 ( -2.019 -8.908 0.000) 9.134 2.929 ( 20.865 -5.714 0.000) 21.633 3.440 ( 15.715 -0.228 0.000) 15.717 3.977 ( 18.071 3.117 0.000) 18.338 4.158 ( 24.780 -6.664 0.000) 25.660 5.884 ( 14.686 -1.920 0.000) 14.811 6.161 ( 13.851 4.041 0.000) 14.429 7.012 ( 4.709 -2.784 0.000) 5.470 7.131 ( 24.195 -0.643 0.000) 24.204 7.334 ( 21.047 -0.169 0.000) 21.048 7.815 ( 11.255 -3.267 0.000) 11.719 12.317 ( -64.969 5.220 0.000) 65.179 13.979 ( -12.003 2.614 0.000) 12.284 16.413 ( -31.808 -14.813 0.000) 35.088 16.984 ( -23.078 -9.628 0.000) 25.006 18.960 ( -6.485 -2.889 0.000) 7.099 19.544 ( 0.931 23.563 0.000) 23.582 21.716 ( -11.136 -0.020 0.000) 11.136 22.600 ( 13.065 -11.102 0.000) 17.145 24.126 ( -7.346 10.002 0.000) 12.410 24.657 ( 25.439 -5.255 0.000) 25.976 25.271 ( 7.254 -9.263 0.000) 11.765 25.721 ( 11.111 10.082 0.000) 15.003 26.385 ( 14.471 3.072 0.000) 14.794 27.310 ( -5.605 -2.557 0.000) 6.160 27.699 ( -5.880 6.544 0.000) 8.798 28.548 ( -2.989 14.973 0.000) 15.269 31.781 ( -0.677 -4.644 0.000) 4.693 32.769 ( -9.651 -5.925 0.000) 11.325 35.217 ( -12.526 2.185 0.000) 12.715 35.404 ( -13.922 -3.063 0.000) 14.255 36.535 ( -10.964 2.191 0.000) 11.181 39.459 ( 2.832 0.312 0.000) 2.850 40.624 ( 2.561 2.052 0.000) 3.282 42.469 ( 5.641 -1.608 0.000) 5.865 ======================= Grid point 5 (6/245) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -3.307 2.108 0.000) 3.922 2.359 ( 0.775 -7.993 0.000) 8.031 3.329 ( 16.417 -4.102 0.000) 16.921 3.689 ( 8.693 -0.745 0.000) 8.725 4.194 ( 8.792 3.997 0.000) 9.658 4.631 ( 17.558 -4.899 0.000) 18.228 6.184 ( 13.670 -0.466 0.000) 13.678 6.360 ( 8.383 3.498 0.000) 9.084 7.180 ( 10.887 -6.307 0.000) 12.582 7.547 ( 16.511 -0.648 0.000) 16.524 7.689 ( 15.072 -0.855 0.000) 15.096 8.053 ( 10.262 -1.334 0.000) 10.348 11.115 ( -52.554 6.585 0.000) 52.965 13.812 ( -4.429 0.298 0.000) 4.439 15.823 ( -30.128 -14.313 0.000) 33.355 16.847 ( -2.574 -4.434 0.000) 5.127 18.847 ( -7.648 -7.570 0.000) 10.760 19.400 ( -0.249 26.229 0.000) 26.230 21.530 ( -7.896 -1.816 0.000) 8.102 22.896 ( 10.747 -10.188 0.000) 14.808 23.869 ( -11.078 7.882 0.000) 13.596 25.147 ( 18.783 -5.720 0.000) 19.635 25.423 ( 3.323 -7.965 0.000) 8.630 25.848 ( 7.533 9.046 0.000) 11.772 26.599 ( 8.930 0.562 0.000) 8.947 27.143 ( -8.780 5.573 0.000) 10.399 27.640 ( 0.257 0.696 0.000) 0.742 28.419 ( -3.077 8.092 0.000) 8.657 31.796 ( -0.208 -3.375 0.000) 3.382 32.632 ( -6.507 -2.357 0.000) 6.921 34.998 ( -8.380 1.691 0.000) 8.549 35.209 ( -7.901 -2.521 0.000) 8.294 36.326 ( -8.599 1.991 0.000) 8.826 39.497 ( 1.112 -0.386 0.000) 1.177 40.653 ( 1.405 1.381 0.000) 1.970 42.562 ( 3.255 -0.727 0.000) 3.335 ======================= Grid point 6 (7/245) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( -1.978 0.476 0.000) 2.034 2.407 ( 0.587 -2.745 0.000) 2.807 3.596 ( 8.175 -2.097 0.000) 8.440 3.776 ( 0.453 -0.011 0.000) 0.453 4.293 ( 3.090 1.658 0.000) 3.507 4.879 ( 5.875 -1.607 0.000) 6.091 6.378 ( 5.715 0.212 0.000) 5.719 6.443 ( 1.766 1.634 0.000) 2.406 7.467 ( 11.091 -5.031 0.000) 12.179 7.748 ( 3.750 0.218 0.000) 3.756 7.916 ( 6.698 -0.709 0.000) 6.735 8.192 ( 3.235 0.003 0.000) 3.235 10.304 ( -23.190 3.933 0.000) 23.521 13.774 ( -0.452 -0.283 0.000) 0.533 15.484 ( -10.547 -6.331 0.000) 12.302 16.838 ( -0.378 -0.546 0.000) 0.664 18.773 ( -3.650 -6.010 0.000) 7.032 19.267 ( -0.361 13.299 0.000) 13.304 21.436 ( -2.646 -1.016 0.000) 2.835 23.119 ( 6.079 -5.926 0.000) 8.489 23.645 ( -6.501 4.942 0.000) 8.166 25.407 ( 4.848 -2.240 0.000) 5.341 25.511 ( 2.540 -3.629 0.000) 4.430 25.911 ( 2.648 3.591 0.000) 4.462 26.751 ( 5.832 -4.167 0.000) 7.168 26.950 ( -6.343 7.509 0.000) 9.830 27.650 ( 0.393 -0.180 0.000) 0.432 28.344 ( -1.278 2.439 0.000) 2.753 31.808 ( 0.007 -1.247 0.000) 1.247 32.553 ( -2.305 -0.604 0.000) 2.383 34.880 ( -2.949 0.557 0.000) 3.001 35.118 ( -2.502 -0.892 0.000) 2.657 36.198 ( -3.265 0.810 0.000) 3.364 39.511 ( 0.266 -0.217 0.000) 0.343 40.665 ( 0.422 0.486 0.000) 0.643 42.606 ( 1.032 -0.199 0.000) 1.051 ======================= Grid point 14 (8/245) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 25.688 0.000 0.000) 25.688 1.573 ( 36.142 0.000 0.000) 36.142 2.298 ( 52.471 0.000 0.000) 52.471 2.585 ( -3.935 -0.000 0.000) 3.935 2.807 ( 13.253 0.000 0.000) 13.253 3.511 ( 14.235 0.000 0.000) 14.235 5.497 ( 3.905 0.000 0.000) 3.905 5.598 ( 14.726 0.000 0.000) 14.726 6.094 ( 23.314 0.000 0.000) 23.314 6.343 ( 25.163 0.000 0.000) 25.163 6.964 ( -0.193 -0.000 0.000) 0.193 7.522 ( 1.373 0.000 0.000) 1.373 14.584 ( -10.139 -0.000 0.000) 10.139 14.936 ( -58.367 -0.000 0.000) 58.367 16.810 ( -16.240 -0.000 0.000) 16.240 19.167 ( -75.142 -0.000 0.000) 75.142 19.203 ( -10.631 -0.000 0.000) 10.631 19.672 ( 3.346 0.000 0.000) 3.346 21.829 ( 16.185 0.000 0.000) 16.185 22.154 ( -3.368 -0.000 0.000) 3.368 23.046 ( 41.052 0.000 0.000) 41.052 24.284 ( 39.672 0.000 0.000) 39.672 25.103 ( -21.009 -0.000 0.000) 21.009 25.404 ( 7.729 0.000 0.000) 7.729 25.735 ( 16.805 0.000 0.000) 16.805 27.239 ( 3.372 0.000 0.000) 3.372 28.300 ( -12.952 -0.000 0.000) 12.952 29.081 ( -5.965 -0.000 0.000) 5.965 31.744 ( -0.333 -0.000 0.000) 0.333 32.868 ( -3.770 -0.000 0.000) 3.770 35.829 ( -16.349 -0.000 0.000) 16.349 36.071 ( -18.657 -0.000 0.000) 18.657 36.921 ( -5.759 -0.000 0.000) 5.759 39.329 ( 4.879 0.000 0.000) 4.879 40.539 ( 3.153 0.000 0.000) 3.153 42.120 ( 8.876 0.000 0.000) 8.876 ======================= Grid point 15 (9/245) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 17.552 -1.391 0.000) 17.607 2.171 ( 19.125 -1.252 0.000) 19.166 2.519 ( 3.264 -2.708 0.000) 4.241 3.109 ( 17.635 0.490 0.000) 17.641 3.268 ( 42.938 -4.088 0.000) 43.132 3.802 ( 15.221 0.881 0.000) 15.246 5.622 ( 9.192 -0.456 0.000) 9.203 5.908 ( 16.370 0.896 0.000) 16.395 6.597 ( 27.090 -0.188 0.000) 27.090 6.861 ( 26.317 0.418 0.000) 26.320 6.968 ( 0.784 -0.559 0.000) 0.963 7.593 ( 5.961 -1.483 0.000) 6.143 13.680 ( -67.280 1.382 0.000) 67.294 14.316 ( -16.150 1.320 0.000) 16.204 16.571 ( -10.803 -5.925 0.000) 12.321 17.783 ( -64.426 -2.420 0.000) 64.472 19.055 ( -6.033 -0.599 0.000) 6.063 19.743 ( 4.543 5.261 0.000) 6.951 21.969 ( -10.759 3.097 0.000) 11.196 22.171 ( 14.878 -5.793 0.000) 15.966 23.844 ( 37.844 0.141 0.000) 37.844 24.656 ( -12.324 11.580 0.000) 16.911 24.909 ( 14.211 -10.497 0.000) 17.667 25.597 ( 12.440 2.436 0.000) 12.676 26.092 ( 18.846 0.908 0.000) 18.868 27.284 ( 0.618 -1.902 0.000) 2.000 28.015 ( -14.173 3.022 0.000) 14.492 28.905 ( -7.550 10.448 0.000) 12.890 31.743 ( 0.187 -0.404 0.000) 0.445 32.798 ( -6.357 -6.949 0.000) 9.418 35.515 ( -14.920 0.651 0.000) 14.934 35.694 ( -19.320 -0.942 0.000) 19.342 36.767 ( -9.619 0.559 0.000) 9.636 39.408 ( 3.701 1.050 0.000) 3.847 40.599 ( 3.141 1.040 0.000) 3.309 42.300 ( 8.531 -1.262 0.000) 8.624 ======================= Grid point 16 (10/245) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 8.408 3.323 0.000) 9.041 2.216 ( -5.664 -7.617 0.000) 9.492 2.879 ( 22.485 -2.876 0.000) 22.669 3.439 ( 15.453 -0.037 0.000) 15.453 4.002 ( 25.626 1.298 0.000) 25.659 4.097 ( 18.893 -3.579 0.000) 19.229 5.867 ( 15.058 -1.093 0.000) 15.097 6.199 ( 13.723 2.279 0.000) 13.911 6.987 ( 3.532 -1.459 0.000) 3.821 7.126 ( 24.081 -0.276 0.000) 24.083 7.330 ( 20.660 -0.307 0.000) 20.662 7.784 ( 12.277 -1.890 0.000) 12.422 12.367 ( -64.324 3.176 0.000) 64.403 14.001 ( -13.698 1.186 0.000) 13.749 16.280 ( -30.701 -7.833 0.000) 31.684 16.895 ( -20.893 -5.374 0.000) 21.573 18.929 ( -8.428 -2.064 0.000) 8.677 19.764 ( 2.794 13.583 0.000) 13.868 21.717 ( -12.623 0.094 0.000) 12.623 22.494 ( 13.955 -6.653 0.000) 15.459 24.220 ( -9.304 5.843 0.000) 10.987 24.611 ( 24.023 -2.676 0.000) 24.172 25.182 ( 8.450 -5.701 0.000) 10.193 25.817 ( 11.287 6.015 0.000) 12.790 26.414 ( 14.033 1.839 0.000) 14.153 27.281 ( -2.434 -2.067 0.000) 3.193 27.758 ( -8.942 3.549 0.000) 9.620 28.688 ( -8.688 8.571 0.000) 12.204 31.757 ( 1.156 -0.013 0.000) 1.156 32.698 ( -7.301 -5.541 0.000) 9.166 35.247 ( -11.732 2.851 0.000) 12.073 35.364 ( -14.862 -3.613 0.000) 15.295 36.555 ( -10.996 1.252 0.000) 11.067 39.462 ( 2.137 0.141 0.000) 2.142 40.644 ( 2.167 1.321 0.000) 2.538 42.453 ( 6.307 -0.995 0.000) 6.385 ======================= Grid point 17 (11/245) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -3.913 5.142 0.000) 6.462 2.257 ( 3.185 -9.271 0.000) 9.803 3.290 ( 17.455 -2.504 0.000) 17.634 3.681 ( 8.667 -0.464 0.000) 8.680 4.236 ( 7.831 3.080 0.000) 8.415 4.578 ( 19.505 -4.032 0.000) 19.917 6.182 ( 15.138 0.146 0.000) 15.138 6.398 ( 7.820 2.809 0.000) 8.310 7.115 ( 9.340 -4.739 0.000) 10.474 7.542 ( 16.884 -0.266 0.000) 16.886 7.677 ( 14.713 -0.994 0.000) 14.746 8.040 ( 11.354 -0.896 0.000) 11.390 11.186 ( -52.396 5.326 0.000) 52.666 13.807 ( -5.916 -0.958 0.000) 5.993 15.684 ( -27.556 -9.416 0.000) 29.121 16.810 ( 1.607 -2.278 0.000) 2.788 18.747 ( -12.425 -7.934 0.000) 14.742 19.686 ( -0.602 20.909 0.000) 20.917 21.513 ( -7.849 -1.087 0.000) 7.924 22.787 ( 11.650 -8.107 0.000) 14.193 23.946 ( -12.367 5.165 0.000) 13.402 25.092 ( 19.932 -3.584 0.000) 20.251 25.338 ( 4.512 -6.209 0.000) 7.675 25.945 ( 5.738 7.065 0.000) 9.101 26.610 ( 7.274 1.125 0.000) 7.360 27.198 ( -5.441 3.614 0.000) 6.532 27.651 ( -1.260 1.192 0.000) 1.734 28.482 ( -8.517 3.015 0.000) 9.034 31.788 ( 2.312 1.448 0.000) 2.728 32.592 ( -5.904 -4.035 0.000) 7.151 35.024 ( -8.863 2.683 0.000) 9.260 35.172 ( -7.337 -3.634 0.000) 8.188 36.346 ( -9.085 1.398 0.000) 9.192 39.493 ( 1.060 -0.288 0.000) 1.099 40.667 ( 0.928 1.077 0.000) 1.422 42.554 ( 3.642 -0.550 0.000) 3.683 ======================= Grid point 18 (12/245) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -2.010 2.778 0.000) 3.429 2.366 ( 3.357 -4.152 0.000) 5.339 3.575 ( 9.926 -1.470 0.000) 10.035 3.773 ( 0.670 -0.373 0.000) 0.767 4.313 ( 1.494 1.638 0.000) 2.217 4.859 ( 7.567 -1.728 0.000) 7.762 6.389 ( 5.915 1.425 0.000) 6.085 6.465 ( 0.599 2.169 0.000) 2.250 7.404 ( 14.222 -5.451 0.000) 15.231 7.754 ( 4.652 0.837 0.000) 4.726 7.904 ( 6.807 -1.381 0.000) 6.946 8.193 ( 3.686 0.202 0.000) 3.692 10.354 ( -26.255 4.433 0.000) 26.626 13.760 ( -0.805 -1.945 0.000) 2.105 15.409 ( -4.879 -6.086 0.000) 7.800 16.865 ( 3.679 4.605 0.000) 5.894 18.591 ( -9.951 -19.227 0.000) 21.649 19.511 ( -3.707 22.631 0.000) 22.933 21.430 ( -1.261 -0.095 0.000) 1.264 23.039 ( 9.093 -7.391 0.000) 11.718 23.701 ( -9.267 4.403 0.000) 10.260 25.384 ( 7.134 -1.662 0.000) 7.325 25.452 ( 4.517 -5.711 0.000) 7.282 25.968 ( 0.529 5.447 0.000) 5.472 26.719 ( 4.870 -1.397 0.000) 5.067 27.042 ( -6.869 7.958 0.000) 10.512 27.647 ( 0.327 -0.130 0.000) 0.352 28.337 ( -6.202 -3.330 0.000) 7.040 31.826 ( 3.101 3.981 0.000) 5.047 32.528 ( -2.568 -3.405 0.000) 4.265 34.890 ( -3.509 1.131 0.000) 3.687 35.102 ( -1.710 -1.817 0.000) 2.495 36.206 ( -4.149 0.631 0.000) 4.196 39.509 ( 0.494 -0.170 0.000) 0.522 40.670 ( -0.104 0.468 0.000) 0.479 42.604 ( 1.268 -0.176 0.000) 1.280 ======================= Grid point 19 (13/245) ======================= q-point: (-0.54 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 2.093 1.905 0.000) 2.830 2.428 ( 1.984 0.838 0.000) 2.154 3.623 ( -6.028 2.623 0.000) 6.574 3.771 ( -0.138 -0.875 0.000) 0.886 4.276 ( -4.922 -1.182 0.000) 5.062 4.895 ( -4.147 0.981 0.000) 4.262 6.387 ( -5.710 1.717 0.000) 5.962 6.427 ( -3.073 -1.127 0.000) 3.274 7.516 ( -6.828 3.269 0.000) 7.570 7.751 ( -3.418 0.731 0.000) 3.495 7.918 ( -6.314 -0.466 0.000) 6.331 8.194 ( -2.970 0.389 0.000) 2.996 10.267 ( 19.652 -2.310 0.000) 19.787 13.765 ( 0.079 -1.604 0.000) 1.606 15.546 ( 17.463 4.212 0.000) 17.963 16.889 ( 3.125 8.495 0.000) 9.052 18.619 ( -1.219 -27.073 0.000) 27.101 19.313 ( -4.282 15.529 0.000) 16.108 21.453 ( 3.907 1.871 0.000) 4.332 23.166 ( -0.372 1.944 0.000) 1.980 23.595 ( 1.282 -3.417 0.000) 3.650 25.433 ( -1.758 1.974 0.000) 2.643 25.521 ( -0.510 -1.754 0.000) 1.827 25.902 ( -5.041 2.064 0.000) 5.447 26.810 ( -3.425 5.002 0.000) 6.062 26.880 ( 1.279 -3.502 0.000) 3.728 27.649 ( -0.488 -0.428 0.000) 0.649 28.280 ( -3.189 -8.225 0.000) 8.821 31.857 ( 3.234 6.996 0.000) 7.707 32.540 ( 1.983 -2.878 0.000) 3.495 34.877 ( 2.523 0.048 0.000) 2.524 35.122 ( 3.135 -0.226 0.000) 3.143 36.188 ( 2.336 -0.808 0.000) 2.472 39.514 ( -0.034 0.216 0.000) 0.218 40.660 ( -0.958 -0.379 0.000) 1.031 42.608 ( -0.790 0.173 0.000) 0.809 ======================= Grid point 20 (14/245) ======================= q-point: (-0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 3.316 0.822 0.000) 3.417 2.437 ( 1.028 5.473 0.000) 5.569 3.384 ( -14.885 5.338 0.000) 15.814 3.697 ( -8.419 0.687 0.000) 8.447 4.145 ( -9.907 -4.236 0.000) 10.774 4.686 ( -15.568 4.403 0.000) 16.179 6.194 ( -12.588 1.383 0.000) 12.664 6.321 ( -9.249 -3.158 0.000) 9.774 7.256 ( -12.083 6.463 0.000) 13.703 7.557 ( -16.185 1.054 0.000) 16.219 7.695 ( -15.516 0.057 0.000) 15.516 8.070 ( -8.983 1.532 0.000) 9.112 11.041 ( 52.550 -5.949 0.000) 52.885 13.798 ( 3.082 -2.023 0.000) 3.687 16.004 ( 34.422 16.037 0.000) 37.974 16.919 ( 5.857 8.387 0.000) 10.229 18.809 ( 4.789 -20.515 0.000) 21.067 19.197 ( -2.872 -2.225 0.000) 3.633 21.555 ( 7.654 2.332 0.000) 8.001 23.017 ( -8.856 10.457 0.000) 13.703 23.766 ( 9.340 -9.838 0.000) 13.565 25.222 ( -17.054 7.033 0.000) 18.447 25.502 ( -1.049 4.278 0.000) 4.405 25.757 ( -10.311 -5.171 0.000) 11.535 26.600 ( -11.739 0.831 0.000) 11.768 27.075 ( 11.103 -5.809 0.000) 12.531 27.630 ( -1.845 -1.188 0.000) 2.194 28.298 ( -1.336 -12.274 0.000) 12.347 31.871 ( 3.138 9.516 0.000) 10.020 32.640 ( 6.907 -1.312 0.000) 7.030 34.984 ( 8.154 -0.751 0.000) 8.188 35.229 ( 8.131 0.983 0.000) 8.190 36.301 ( 8.043 -2.127 0.000) 8.320 39.501 ( -1.211 0.381 0.000) 1.269 40.637 ( -1.894 -1.295 0.000) 2.294 42.571 ( -2.833 0.714 0.000) 2.922 ======================= Grid point 21 (15/245) ======================= q-point: (-0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -1.296 1.138 0.000) 1.725 2.412 ( -0.003 7.338 0.000) 7.338 3.010 ( -18.512 8.031 0.000) 20.179 3.445 ( -16.124 0.598 0.000) 16.135 3.932 ( -15.350 -4.549 0.000) 16.010 4.244 ( -25.352 7.754 0.000) 26.511 5.909 ( -14.365 2.263 0.000) 14.542 6.109 ( -14.278 -4.693 0.000) 15.030 7.050 ( -6.439 3.598 0.000) 7.376 7.141 ( -24.151 1.135 0.000) 24.178 7.332 ( -21.504 -0.470 0.000) 21.509 7.857 ( -10.043 3.782 0.000) 10.731 12.252 ( 65.554 -5.746 0.000) 65.806 13.941 ( 10.295 -3.797 0.000) 10.973 16.618 ( 32.898 20.371 0.000) 38.694 17.111 ( 26.458 11.834 0.000) 28.984 18.975 ( 4.559 -3.142 0.000) 5.537 19.251 ( 0.248 -23.763 0.000) 23.764 21.717 ( 9.305 0.181 0.000) 9.307 22.743 ( -11.681 13.383 0.000) 17.764 23.994 ( 5.005 -12.523 0.000) 13.487 24.731 ( -26.946 7.372 0.000) 27.937 25.386 ( -6.954 10.213 0.000) 12.356 25.594 ( -10.517 -11.405 0.000) 15.514 26.347 ( -15.229 -3.256 0.000) 15.573 27.330 ( 10.992 0.335 0.000) 10.997 27.611 ( -1.217 -8.253 0.000) 8.342 28.360 ( -0.992 -16.378 0.000) 16.408 31.872 ( 3.131 11.084 0.000) 11.518 32.820 ( 11.652 2.282 0.000) 11.873 35.197 ( 12.856 -1.186 0.000) 12.911 35.431 ( 13.329 1.479 0.000) 13.411 36.507 ( 10.965 -2.582 0.000) 11.265 39.454 ( -3.835 -0.475 0.000) 3.865 40.600 ( -2.891 -2.038 0.000) 3.537 42.488 ( -4.862 1.716 0.000) 5.156 ======================= Grid point 22 (16/245) ======================= q-point: (-0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -10.759 6.274 0.000) 12.455 2.253 ( -17.731 5.437 0.000) 18.546 2.681 ( -4.898 9.962 0.000) 11.101 3.103 ( -18.090 -0.095 0.000) 18.090 3.468 ( -33.300 10.035 0.000) 34.779 3.756 ( -18.641 -1.875 0.000) 18.735 5.649 ( -10.501 1.535 0.000) 10.613 5.842 ( -15.124 -4.704 0.000) 15.839 6.610 ( -27.255 1.001 0.000) 27.274 6.838 ( -25.111 -1.418 0.000) 25.151 7.001 ( -2.794 2.147 0.000) 3.524 7.676 ( -5.341 4.832 0.000) 7.203 13.594 ( 66.687 -5.510 0.000) 66.914 14.237 ( 16.747 -4.818 0.000) 17.426 16.930 ( 18.203 22.473 0.000) 28.920 17.948 ( 59.587 11.424 0.000) 60.672 19.074 ( 6.338 -0.390 0.000) 6.350 19.418 ( 2.484 -20.552 0.000) 20.702 21.880 ( 4.641 -3.238 0.000) 5.659 22.427 ( -11.254 14.067 0.000) 18.015 23.813 ( -34.510 -3.887 0.000) 34.728 24.330 ( -12.002 -12.258 0.000) 17.155 25.163 ( -8.727 6.873 0.000) 11.108 25.475 ( -6.059 -4.991 0.000) 7.849 26.038 ( -18.090 -3.331 0.000) 18.394 27.385 ( -2.185 4.859 0.000) 5.328 27.760 ( 5.312 -19.561 0.000) 20.269 28.444 ( -0.960 -18.916 0.000) 18.940 31.866 ( 2.942 11.666 0.000) 12.032 33.062 ( 16.613 9.345 0.000) 19.061 35.492 ( 16.430 -0.805 0.000) 16.450 35.727 ( 17.381 0.927 0.000) 17.406 36.734 ( 10.285 -2.017 0.000) 10.481 39.346 ( -8.839 -3.769 0.000) 9.609 40.550 ( -3.367 -2.270 0.000) 4.060 42.365 ( -6.001 3.457 0.000) 6.926 ======================= Grid point 23 (17/245) ======================= q-point: (-0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -19.710 12.706 0.000) 23.450 1.690 ( -31.868 9.706 0.000) 33.314 2.481 ( -38.871 12.494 0.000) 40.830 2.695 ( -1.133 9.227 0.000) 9.296 2.893 ( -11.850 4.791 0.000) 12.782 3.454 ( -15.015 -4.660 0.000) 15.722 5.489 ( -5.607 -0.282 0.000) 5.614 5.607 ( -9.824 -1.665 0.000) 9.964 6.100 ( -23.462 0.683 0.000) 23.472 6.332 ( -25.101 -0.991 0.000) 25.120 6.979 ( 0.236 1.430 0.000) 1.450 7.594 ( -0.515 4.796 0.000) 4.824 14.576 ( 19.203 -2.116 0.000) 19.319 14.881 ( 55.834 -4.685 0.000) 56.031 17.208 ( 26.833 29.394 0.000) 39.800 19.025 ( 36.240 -4.388 0.000) 36.505 19.374 ( 33.621 2.728 0.000) 33.731 19.602 ( 16.858 -2.055 0.000) 16.982 21.817 ( -12.867 -0.775 0.000) 12.890 22.235 ( -3.227 6.545 0.000) 7.298 23.018 ( -42.579 -2.397 0.000) 42.647 23.993 ( -36.705 -21.738 0.000) 42.659 24.988 ( -12.520 -9.923 0.000) 15.975 25.478 ( 7.333 5.354 0.000) 9.080 25.703 ( -16.918 -2.351 0.000) 17.081 27.273 ( -7.786 -2.017 0.000) 8.043 27.893 ( -10.013 -32.737 0.000) 34.234 28.549 ( 1.756 -14.942 0.000) 15.045 31.851 ( 2.349 11.215 0.000) 11.459 33.368 ( 24.798 22.286 0.000) 33.340 35.836 ( 18.505 0.805 0.000) 18.523 36.078 ( 18.002 0.122 0.000) 18.002 36.910 ( 6.456 -0.897 0.000) 6.518 39.138 ( -17.900 -12.435 0.000) 21.796 40.501 ( -2.632 -1.670 0.000) 3.117 42.231 ( -4.147 6.430 0.000) 7.652 ======================= Grid point 24 (18/245) ======================= q-point: (-0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -23.308 20.017 0.000) 30.724 0.964 ( -33.358 16.049 0.000) 37.018 1.458 ( -47.418 26.650 0.000) 54.394 2.707 ( 2.619 6.083 0.000) 6.622 2.775 ( 2.866 6.486 0.000) 7.091 3.236 ( -9.414 -4.724 0.000) 10.532 5.431 ( 0.053 0.005 0.000) 0.053 5.518 ( 2.665 4.638 0.000) 5.349 5.722 ( -14.207 0.291 0.000) 14.210 5.929 ( -15.388 -0.702 0.000) 15.404 6.979 ( 0.465 1.311 0.000) 1.391 7.593 ( 3.618 5.586 0.000) 6.655 14.949 ( 24.864 10.936 0.000) 27.163 15.811 ( 33.256 -4.959 0.000) 33.624 17.701 ( 52.649 49.481 0.000) 72.252 19.438 ( 11.636 0.058 0.000) 11.636 19.696 ( 15.715 -2.197 0.000) 15.868 20.681 ( 66.898 6.211 0.000) 67.185 21.556 ( -9.957 -1.578 0.000) 10.081 21.846 ( -36.642 -1.806 0.000) 36.686 22.525 ( -6.762 -2.585 0.000) 7.239 23.166 ( -59.730 -20.904 0.000) 63.282 24.627 ( -52.792 -51.579 0.000) 73.807 25.374 ( -13.369 -0.191 0.000) 13.370 25.697 ( 12.922 6.437 0.000) 14.437 27.108 ( -15.775 -17.246 0.000) 23.372 27.647 ( -39.932 -42.467 0.000) 58.292 28.667 ( 2.921 -7.112 0.000) 7.688 31.827 ( 1.423 9.616 0.000) 9.721 33.852 ( 48.240 41.821 0.000) 63.844 36.200 ( 22.077 7.250 0.000) 23.237 36.390 ( 13.281 1.031 0.000) 13.321 36.990 ( 1.646 -0.092 0.000) 1.649 38.730 ( -41.849 -33.666 0.000) 53.710 40.472 ( -0.822 -0.353 0.000) 0.895 42.170 ( 4.769 11.115 0.000) 12.095 ======================= Grid point 25 (19/245) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.343 ( 0.000 29.371 0.000) 29.371 0.396 ( 0.000 33.972 0.000) 33.972 0.577 ( 0.000 49.120 0.000) 49.120 2.702 ( 0.000 4.536 0.000) 4.536 2.917 ( -0.000 -3.797 0.000) 3.797 3.165 ( -0.000 -3.739 0.000) 3.739 5.456 ( -0.000 -1.104 0.000) 1.104 5.563 ( 0.000 0.655 0.000) 0.655 5.720 ( -0.000 -5.035 0.000) 5.035 5.777 ( -0.000 -0.531 0.000) 0.531 6.978 ( 0.000 1.098 0.000) 1.098 7.681 ( 0.000 0.186 0.000) 0.186 15.445 ( -0.000 -5.442 0.000) 5.442 16.170 ( -0.000 -3.077 0.000) 3.077 19.483 ( 0.000 1.536 0.000) 1.536 19.991 ( -0.000 -2.122 0.000) 2.122 20.035 ( 0.000 1.387 0.000) 1.387 20.573 ( -0.000 -1.169 0.000) 1.169 21.294 ( -0.000 -0.462 0.000) 0.462 21.533 ( -0.000 -2.406 0.000) 2.406 22.266 ( -0.000 -0.598 0.000) 0.598 22.522 ( 0.000 0.818 0.000) 0.818 22.824 ( 0.000 0.572 0.000) 0.572 25.229 ( 0.000 0.775 0.000) 0.775 25.857 ( 0.000 0.423 0.000) 0.423 26.717 ( -0.000 -9.485 0.000) 9.485 27.192 ( 0.000 12.415 0.000) 12.415 28.721 ( -0.000 -2.172 0.000) 2.172 31.794 ( 0.000 6.765 0.000) 6.765 34.764 ( -0.000 -6.344 0.000) 6.344 36.505 ( -0.000 -0.201 0.000) 0.201 36.999 ( -0.000 -0.154 0.000) 0.154 37.056 ( 0.000 0.229 0.000) 0.229 37.443 ( 0.000 0.214 0.000) 0.214 40.469 ( 0.000 0.266 0.000) 0.266 42.312 ( 0.000 0.105 0.000) 0.105 ======================= Grid point 28 (20/245) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 12.218 0.000 0.000) 12.218 2.165 ( -9.219 -0.000 0.000) 9.219 2.862 ( 23.042 0.000 0.000) 23.042 3.439 ( 15.364 0.000 0.000) 15.364 4.009 ( 32.983 0.000 0.000) 32.983 4.077 ( 12.179 0.000 0.000) 12.179 5.860 ( 15.219 0.000 0.000) 15.219 6.212 ( 13.716 0.000 0.000) 13.716 6.979 ( 3.097 0.000 0.000) 3.097 7.125 ( 24.020 0.000 0.000) 24.020 7.328 ( 20.511 0.000 0.000) 20.511 7.773 ( 12.684 0.000 0.000) 12.684 12.386 ( -64.041 -0.000 0.000) 64.041 14.008 ( -14.424 -0.000 0.000) 14.424 16.234 ( -30.197 -0.000 0.000) 30.197 16.864 ( -20.171 -0.000 0.000) 20.171 18.917 ( -9.112 -0.000 0.000) 9.112 19.845 ( 3.558 0.000 0.000) 3.558 21.717 ( -13.237 -0.000 0.000) 13.237 22.454 ( 14.278 0.000 0.000) 14.278 24.255 ( -10.073 -0.000 0.000) 10.073 24.595 ( 23.323 0.000 0.000) 23.323 25.147 ( 9.177 0.000 0.000) 9.177 25.853 ( 11.310 0.000 0.000) 11.310 26.425 ( 13.895 0.000 0.000) 13.895 27.268 ( -1.418 -0.000 0.000) 1.418 27.779 ( -9.658 -0.000 0.000) 9.658 28.739 ( -11.333 -0.000 0.000) 11.333 31.761 ( 1.737 0.000 0.000) 1.737 32.662 ( -6.149 -0.000 0.000) 6.149 35.270 ( -10.251 -0.000 0.000) 10.251 35.336 ( -16.385 -0.000 0.000) 16.385 36.563 ( -11.014 -0.000 0.000) 11.014 39.462 ( 1.891 0.000 0.000) 1.891 40.652 ( 1.985 0.000 0.000) 1.985 42.447 ( 6.575 0.000 0.000) 6.575 ======================= Grid point 29 (21/245) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -6.887 4.857 0.000) 8.428 2.158 ( 7.291 -6.333 0.000) 9.657 3.271 ( 17.959 -0.833 0.000) 17.978 3.678 ( 8.588 -0.145 0.000) 8.589 4.262 ( 7.004 1.242 0.000) 7.113 4.544 ( 20.956 -1.635 0.000) 21.020 6.185 ( 16.199 0.155 0.000) 16.199 6.421 ( 7.654 1.088 0.000) 7.731 7.076 ( 8.152 -1.791 0.000) 8.346 7.540 ( 17.170 -0.049 0.000) 17.170 7.668 ( 14.500 -0.437 0.000) 14.507 8.033 ( 11.966 -0.315 0.000) 11.970 11.231 ( -52.247 2.074 0.000) 52.288 13.796 ( -6.910 -0.627 0.000) 6.938 15.610 ( -26.337 -3.229 0.000) 26.534 16.792 ( 4.431 -0.718 0.000) 4.489 18.681 ( -15.512 -3.011 0.000) 15.802 19.857 ( -0.530 7.793 0.000) 7.811 21.505 ( -7.713 -0.351 0.000) 7.721 22.719 ( 11.950 -3.212 0.000) 12.374 23.987 ( -13.100 1.811 0.000) 13.224 25.064 ( 20.489 -1.201 0.000) 20.524 25.287 ( 5.068 -2.296 0.000) 5.563 26.002 ( 4.691 2.597 0.000) 5.362 26.621 ( 6.720 0.593 0.000) 6.746 27.225 ( -3.074 1.072 0.000) 3.256 27.664 ( -2.071 0.824 0.000) 2.229 28.499 ( -12.319 0.393 0.000) 12.325 31.810 ( 3.715 1.546 0.000) 4.024 32.553 ( -5.475 -2.136 0.000) 5.876 35.057 ( -10.218 2.522 0.000) 10.525 35.131 ( -5.903 -2.940 0.000) 6.594 36.357 ( -9.369 0.501 0.000) 9.383 39.490 ( 1.043 -0.107 0.000) 1.049 40.676 ( 0.627 0.409 0.000) 0.749 42.550 ( 3.877 -0.206 0.000) 3.883 ======================= Grid point 30 (22/245) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -2.562 2.963 0.000) 3.917 2.319 ( 5.964 -3.537 0.000) 6.934 3.562 ( 11.054 -0.760 0.000) 11.080 3.769 ( 0.703 -0.287 0.000) 0.759 4.329 ( 0.426 1.016 0.000) 1.102 4.842 ( 8.793 -1.119 0.000) 8.864 6.405 ( 5.682 1.050 0.000) 5.778 6.490 ( 0.253 1.943 0.000) 1.960 7.349 ( 16.158 -3.733 0.000) 16.583 7.765 ( 5.572 0.832 0.000) 5.634 7.888 ( 6.655 -1.163 0.000) 6.756 8.195 ( 4.115 0.157 0.000) 4.118 10.399 ( -28.294 3.000 0.000) 28.452 13.735 ( -0.964 -1.868 0.000) 2.102 15.351 ( -1.551 -3.567 0.000) 3.889 16.925 ( 8.848 4.769 0.000) 10.051 18.395 ( -16.554 -13.067 0.000) 21.090 19.729 ( -5.795 13.722 0.000) 14.896 21.432 ( -0.085 0.323 0.000) 0.334 22.962 ( 10.458 -5.228 0.000) 11.692 23.742 ( -10.507 2.505 0.000) 10.802 25.369 ( 7.210 -0.918 0.000) 7.269 25.395 ( 6.821 -3.651 0.000) 7.737 26.022 ( -0.541 3.344 0.000) 3.388 26.714 ( 4.040 0.196 0.000) 4.045 27.121 ( -6.120 5.085 0.000) 7.957 27.651 ( 0.103 0.660 0.000) 0.668 28.284 ( -10.210 -4.696 0.000) 11.238 31.884 ( 5.499 4.897 0.000) 7.363 32.484 ( -3.043 -3.718 0.000) 4.804 34.904 ( -4.235 1.114 0.000) 4.379 35.080 ( -0.800 -1.666 0.000) 1.848 36.212 ( -4.777 0.340 0.000) 4.789 39.507 ( 0.660 -0.091 0.000) 0.667 40.675 ( -0.488 0.290 0.000) 0.568 42.602 ( 1.442 -0.104 0.000) 1.445 ======================= Grid point 31 (23/245) ======================= q-point: (-0.62 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.976 2.700 0.000) 3.346 2.429 ( 4.154 -0.410 0.000) 4.174 3.656 ( -3.734 2.993 0.000) 4.785 3.754 ( -0.193 -1.955 0.000) 1.964 4.266 ( -6.510 -0.583 0.000) 6.536 4.902 ( -2.810 0.356 0.000) 2.832 6.413 ( -5.682 2.371 0.000) 6.157 6.417 ( -4.448 -0.567 0.000) 4.484 7.542 ( -2.235 1.322 0.000) 2.597 7.764 ( -3.746 1.434 0.000) 4.011 7.907 ( -5.960 -1.308 0.000) 6.102 8.200 ( -2.858 0.570 0.000) 2.914 10.250 ( 16.470 -0.790 0.000) 16.489 13.741 ( -0.100 -2.196 0.000) 2.198 15.580 ( 23.275 1.691 0.000) 23.336 17.029 ( 6.895 14.878 0.000) 16.398 18.276 ( -6.682 -29.275 0.000) 30.028 19.499 ( -8.470 14.307 0.000) 16.626 21.477 ( 4.817 2.011 0.000) 5.220 23.166 ( 6.539 -1.473 0.000) 6.703 23.570 ( -4.914 -1.028 0.000) 5.021 25.441 ( 1.366 -1.086 0.000) 1.745 25.496 ( -0.264 -1.126 0.000) 1.156 25.942 ( -5.717 3.889 0.000) 6.915 26.815 ( 6.533 -2.076 0.000) 6.855 26.914 ( -11.497 6.540 0.000) 13.227 27.642 ( -1.073 -0.607 0.000) 1.233 28.169 ( -5.958 -9.861 0.000) 11.521 31.958 ( 6.221 9.654 0.000) 11.485 32.489 ( 1.182 -5.493 0.000) 5.619 34.880 ( 2.154 0.352 0.000) 2.182 35.115 ( 3.642 -0.771 0.000) 3.723 36.180 ( 1.575 -0.597 0.000) 1.684 39.516 ( 0.150 0.159 0.000) 0.218 40.656 ( -1.387 -0.223 0.000) 1.405 42.610 ( -0.598 0.115 0.000) 0.609 ======================= Grid point 32 (24/245) ======================= q-point: (-0.54 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 3.313 2.304 0.000) 4.036 2.486 ( 2.375 2.949 0.000) 3.786 3.449 ( -13.164 5.712 0.000) 14.350 3.702 ( -7.600 -0.008 0.000) 7.600 4.098 ( -11.393 -3.706 0.000) 11.980 4.730 ( -13.837 2.994 0.000) 14.157 6.215 ( -12.238 1.975 0.000) 12.396 6.289 ( -10.081 -2.238 0.000) 10.326 7.325 ( -12.696 5.369 0.000) 13.785 7.571 ( -15.894 1.388 0.000) 15.955 7.689 ( -15.969 -1.019 0.000) 16.001 8.088 ( -7.894 1.386 0.000) 8.015 10.982 ( 52.322 -4.176 0.000) 52.488 13.769 ( 2.246 -2.786 0.000) 3.579 16.176 ( 40.199 12.833 0.000) 42.198 17.055 ( 6.910 15.653 0.000) 17.110 18.455 ( 3.853 -35.395 0.000) 35.604 19.267 ( -7.609 9.097 0.000) 11.860 21.582 ( 7.084 2.307 0.000) 7.450 23.137 ( -5.705 10.284 0.000) 11.760 23.644 ( 6.970 -10.961 0.000) 12.990 25.303 ( -14.894 6.714 0.000) 16.337 25.497 ( -0.747 -4.280 0.000) 4.345 25.753 ( -11.115 3.661 0.000) 11.703 26.620 ( -14.928 2.662 0.000) 15.163 27.012 ( 11.344 -5.084 0.000) 12.431 27.610 ( -3.422 -2.433 0.000) 4.199 28.151 ( -2.826 -12.113 0.000) 12.438 32.009 ( 5.833 13.671 0.000) 14.864 32.599 ( 6.785 -5.623 0.000) 8.812 34.980 ( 8.018 -0.142 0.000) 8.019 35.233 ( 8.184 -0.174 0.000) 8.186 36.278 ( 7.556 -1.764 0.000) 7.760 39.505 ( -1.341 0.290 0.000) 1.372 40.624 ( -2.274 -0.943 0.000) 2.461 42.578 ( -2.476 0.551 0.000) 2.537 ======================= Grid point 33 (25/245) ======================= q-point: (-0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.899 ( 0.568 2.809 0.000) 2.866 2.483 ( -0.891 4.860 0.000) 4.941 3.110 ( -16.210 8.872 0.000) 18.479 3.455 ( -16.427 1.133 0.000) 16.466 3.873 ( -14.696 -5.480 0.000) 15.684 4.330 ( -23.966 6.773 0.000) 24.905 5.935 ( -14.357 2.052 0.000) 14.503 6.058 ( -14.956 -4.003 0.000) 15.483 7.092 ( -8.925 3.440 0.000) 9.565 7.159 ( -23.396 1.872 0.000) 23.471 7.322 ( -21.826 -1.398 0.000) 21.871 7.899 ( -9.002 3.388 0.000) 9.618 12.188 ( 65.786 -4.978 0.000) 65.974 13.895 ( 9.209 -4.033 0.000) 10.053 16.878 ( 34.570 24.120 0.000) 42.153 17.250 ( 29.400 11.848 0.000) 31.697 18.765 ( 7.084 -30.292 0.000) 31.109 19.124 ( -3.705 -0.345 0.000) 3.721 21.720 ( 7.474 0.234 0.000) 7.478 22.905 ( -9.939 14.418 0.000) 17.512 23.840 ( 2.860 -13.954 0.000) 14.245 24.824 ( -28.373 8.375 0.000) 29.583 25.464 ( -13.196 -9.306 0.000) 16.148 25.501 ( -4.205 7.773 0.000) 8.838 26.314 ( -16.356 -2.215 0.000) 16.505 27.298 ( 13.620 -6.634 0.000) 15.150 27.527 ( -7.407 -5.038 0.000) 8.958 28.189 ( -0.791 -12.590 0.000) 12.615 32.031 ( 5.278 15.809 0.000) 16.666 32.816 ( 12.721 -3.016 0.000) 13.073 35.188 ( 13.016 -0.413 0.000) 13.023 35.439 ( 12.851 -0.040 0.000) 12.851 36.477 ( 11.020 -2.357 0.000) 11.269 39.448 ( -4.913 -0.540 0.000) 4.943 40.579 ( -3.017 -1.534 0.000) 3.385 42.507 ( -4.198 1.426 0.000) 4.434 ======================= Grid point 34 (26/245) ======================= q-point: (-0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -6.474 7.270 0.000) 9.735 2.321 ( -15.359 6.195 0.000) 16.561 2.801 ( -6.683 10.244 0.000) 12.232 3.101 ( -18.092 -0.082 0.000) 18.092 3.550 ( -22.761 2.562 0.000) 22.905 3.764 ( -26.077 4.497 0.000) 26.462 5.666 ( -11.477 1.279 0.000) 11.548 5.782 ( -15.219 -5.469 0.000) 16.172 6.624 ( -27.265 1.416 0.000) 27.302 6.819 ( -25.529 -1.894 0.000) 25.599 7.028 ( -2.997 2.420 0.000) 3.852 7.732 ( -5.252 4.535 0.000) 6.939 13.526 ( 65.961 -5.948 0.000) 66.228 14.180 ( 17.075 -4.894 0.000) 17.762 17.209 ( 22.179 25.184 0.000) 33.558 18.099 ( 56.421 14.364 0.000) 58.220 19.025 ( 6.399 -11.627 0.000) 13.271 19.187 ( 7.458 -15.295 0.000) 17.016 21.847 ( 3.687 -2.447 0.000) 4.425 22.598 ( -11.826 15.398 0.000) 19.416 23.736 ( -27.521 -9.719 0.000) 29.186 24.224 ( -26.816 -5.598 0.000) 27.394 25.184 ( -15.332 -3.222 0.000) 15.667 25.457 ( 0.379 1.923 0.000) 1.960 25.999 ( -17.642 -3.333 0.000) 17.954 27.373 ( -13.682 -12.669 0.000) 18.647 27.573 ( 9.308 -5.249 0.000) 10.686 28.271 ( 2.490 -11.387 0.000) 11.656 32.033 ( 4.586 16.725 0.000) 17.342 33.129 ( 19.010 1.895 0.000) 19.104 35.486 ( 17.063 -0.188 0.000) 17.064 35.731 ( 16.614 -0.359 0.000) 16.618 36.710 ( 10.808 -2.011 0.000) 10.993 39.302 ( -11.907 -3.719 0.000) 12.474 40.528 ( -2.946 -1.507 0.000) 3.309 42.402 ( -4.957 2.902 0.000) 5.744 ======================= Grid point 35 (27/245) ======================= q-point: (-0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -14.725 14.906 0.000) 20.953 1.824 ( -27.238 13.024 0.000) 30.192 2.615 ( -23.273 9.704 0.000) 25.215 2.800 ( -4.702 6.561 0.000) 8.072 2.966 ( -19.254 9.675 0.000) 21.548 3.392 ( -15.904 -5.599 0.000) 16.861 5.486 ( -6.486 -0.308 0.000) 6.493 5.566 ( -9.151 -5.378 0.000) 10.615 6.111 ( -23.489 1.186 0.000) 23.519 6.317 ( -25.019 -1.643 0.000) 25.073 7.000 ( 0.332 2.106 0.000) 2.132 7.648 ( -0.773 4.372 0.000) 4.440 14.539 ( 23.323 -3.841 0.000) 23.637 14.815 ( 53.502 -6.705 0.000) 53.921 17.569 ( 32.813 31.654 0.000) 45.592 18.988 ( 28.543 -1.989 0.000) 28.612 19.324 ( 17.497 -10.200 0.000) 20.253 19.632 ( 44.990 6.145 0.000) 45.408 21.808 ( -10.450 -0.680 0.000) 10.472 22.323 ( -9.184 8.517 0.000) 12.525 22.983 ( -44.261 -3.651 0.000) 44.411 23.725 ( -39.229 -23.248 0.000) 45.600 24.856 ( -25.641 -12.378 0.000) 28.473 25.539 ( 9.641 4.793 0.000) 10.766 25.674 ( -16.548 -2.494 0.000) 16.735 27.134 ( -20.884 -21.103 0.000) 29.690 27.670 ( -2.534 -3.508 0.000) 4.328 28.425 ( 6.881 -8.453 0.000) 10.900 32.015 ( 3.435 16.625 0.000) 16.976 33.545 ( 27.092 8.160 0.000) 28.294 35.849 ( 20.393 1.418 0.000) 20.443 36.075 ( 17.721 -0.629 0.000) 17.732 36.898 ( 7.059 -1.054 0.000) 7.137 39.001 ( -24.069 -10.676 0.000) 26.330 40.488 ( -1.659 -0.657 0.000) 1.784 42.296 ( -2.976 4.789 0.000) 5.639 ======================= Grid point 36 (28/245) ======================= q-point: (-0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -18.958 21.727 0.000) 28.836 1.195 ( -23.275 23.201 0.000) 32.863 1.803 ( -36.029 31.267 0.000) 47.704 2.788 ( 2.198 2.717 0.000) 3.494 2.796 ( -0.161 2.640 0.000) 2.645 3.167 ( -10.420 -6.879 0.000) 12.485 5.422 ( -0.776 -1.342 0.000) 1.550 5.514 ( 1.536 -4.806 0.000) 5.046 5.729 ( -14.169 0.998 0.000) 14.204 5.918 ( -15.407 -1.216 0.000) 15.455 7.000 ( 0.717 2.154 0.000) 2.271 7.645 ( 2.628 3.442 0.000) 4.330 14.998 ( 23.649 -1.214 0.000) 23.680 15.740 ( 33.365 -7.176 0.000) 34.128 18.233 ( 63.494 40.028 0.000) 75.058 19.432 ( 17.622 -1.278 0.000) 17.668 19.670 ( 19.058 -1.948 0.000) 19.157 20.766 ( 62.311 8.175 0.000) 62.845 21.531 ( -15.699 -2.880 0.000) 15.961 21.821 ( -38.507 -2.351 0.000) 38.579 22.458 ( -17.137 -10.532 0.000) 20.115 22.899 ( -55.004 -20.568 0.000) 58.724 24.153 ( -66.033 -29.074 0.000) 72.150 25.375 ( -12.265 0.207 0.000) 12.267 25.749 ( 10.968 3.150 0.000) 11.411 26.810 ( -24.388 -23.791 0.000) 34.070 27.538 ( -8.267 7.361 0.000) 11.069 28.597 ( 5.434 -6.033 0.000) 8.120 31.974 ( 1.852 15.343 0.000) 15.454 34.118 ( 36.432 7.899 0.000) 37.279 36.274 ( 24.937 4.972 0.000) 25.428 36.408 ( 17.803 2.048 0.000) 17.921 36.988 ( 1.826 -0.287 0.000) 1.848 38.425 ( -46.424 -19.332 0.000) 50.288 40.473 ( -0.044 0.312 0.000) 0.315 42.260 ( 2.862 5.163 0.000) 5.903 ======================= Grid point 37 (29/245) ======================= q-point: (-0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 0.000 28.532 0.000) 28.532 0.786 ( 0.000 33.047 0.000) 33.047 1.132 ( 0.000 46.180 0.000) 46.180 2.777 ( 0.000 8.076 0.000) 8.076 2.853 ( -0.000 -7.100 0.000) 7.100 3.100 ( -0.000 -7.419 0.000) 7.419 5.437 ( -0.000 -2.167 0.000) 2.167 5.574 ( 0.000 1.217 0.000) 1.217 5.635 ( -0.000 -9.437 0.000) 9.437 5.768 ( -0.000 -1.009 0.000) 1.009 6.997 ( 0.000 1.967 0.000) 1.967 7.684 ( 0.000 0.340 0.000) 0.340 15.356 ( -0.000 -9.442 0.000) 9.442 16.118 ( -0.000 -5.764 0.000) 5.764 19.507 ( 0.000 2.552 0.000) 2.552 19.957 ( -0.000 -3.475 0.000) 3.475 20.059 ( 0.000 2.654 0.000) 2.654 20.554 ( -0.000 -2.126 0.000) 2.126 21.284 ( -0.000 -1.473 0.000) 1.473 21.496 ( -0.000 -3.757 0.000) 3.757 22.257 ( -0.000 -1.083 0.000) 1.083 22.536 ( 0.000 1.693 0.000) 1.693 22.832 ( 0.000 0.723 0.000) 0.723 25.241 ( 0.000 1.349 0.000) 1.349 25.864 ( 0.000 0.749 0.000) 0.749 26.600 ( -0.000 -10.107 0.000) 10.107 27.360 ( 0.000 15.803 0.000) 15.803 28.683 ( -0.000 -4.377 0.000) 4.377 31.910 ( 0.000 12.924 0.000) 12.924 34.656 ( -0.000 -12.120 0.000) 12.120 36.502 ( -0.000 -0.375 0.000) 0.375 36.996 ( -0.000 -0.268 0.000) 0.268 37.060 ( 0.000 0.393 0.000) 0.393 37.447 ( 0.000 0.374 0.000) 0.374 40.473 ( 0.000 0.460 0.000) 0.460 42.314 ( 0.000 0.188 0.000) 0.188 ======================= Grid point 42 (30/245) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( -3.060 -0.000 0.000) 3.060 2.296 ( 7.222 0.000 0.000) 7.222 3.558 ( 11.439 0.000 0.000) 11.439 3.767 ( 0.687 0.000 0.000) 0.687 4.335 ( 0.047 0.000 0.000) 0.047 4.835 ( 9.242 0.000 0.000) 9.242 6.411 ( 5.409 0.000 0.000) 5.409 6.503 ( 0.322 0.000 0.000) 0.322 7.326 ( 16.831 0.000 0.000) 16.831 7.770 ( 5.986 0.000 0.000) 5.986 7.880 ( 6.520 0.000 0.000) 6.520 8.196 ( 4.288 0.000 0.000) 4.288 10.417 ( -29.006 -0.000 0.000) 29.006 13.723 ( -0.989 -0.000 0.000) 0.989 15.330 ( -0.496 -0.000 0.000) 0.496 16.956 ( 11.574 0.000 0.000) 11.574 18.315 ( -19.719 -0.000 0.000) 19.719 19.811 ( -6.574 -0.000 0.000) 6.574 21.434 ( 0.399 0.000 0.000) 0.399 22.930 ( 10.864 0.000 0.000) 10.864 23.757 ( -10.866 -0.000 0.000) 10.866 25.363 ( 3.454 0.000 0.000) 3.454 25.374 ( 11.336 0.000 0.000) 11.336 26.041 ( -0.864 -0.000 0.000) 0.864 26.716 ( 3.730 0.000 0.000) 3.730 27.152 ( -5.515 -0.000 0.000) 5.515 27.656 ( -0.011 -0.000 0.000) 0.011 28.252 ( -11.880 -0.000 0.000) 11.880 31.916 ( 6.531 0.000 0.000) 6.531 32.459 ( -3.418 -0.000 0.000) 3.418 34.911 ( -4.677 -0.000 0.000) 4.677 35.070 ( -0.287 -0.000 0.000) 0.287 36.214 ( -5.004 -0.000 0.000) 5.004 39.507 ( 0.721 0.000 0.000) 0.721 40.677 ( -0.630 -0.000 0.000) 0.630 42.602 ( 1.505 0.000 0.000) 1.505 ======================= Grid point 43 (31/245) ======================= q-point: (-0.69 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 1.710 1.273 0.000) 2.132 2.424 ( 5.512 -0.378 0.000) 5.525 3.692 ( -1.224 3.055 0.000) 3.291 3.727 ( -1.406 -2.729 0.000) 3.069 4.262 ( -7.406 -0.155 0.000) 7.408 4.904 ( -2.111 0.057 0.000) 2.112 6.411 ( -4.417 -0.219 0.000) 4.422 6.436 ( -6.609 1.166 0.000) 6.711 7.550 ( 0.795 0.246 0.000) 0.832 7.779 ( -4.052 0.860 0.000) 4.142 7.893 ( -5.884 -0.817 0.000) 5.940 8.205 ( -2.790 0.268 0.000) 2.803 10.245 ( 14.567 -0.103 0.000) 14.567 13.721 ( -0.107 -1.010 0.000) 1.015 15.591 ( 26.334 0.340 0.000) 26.336 17.195 ( 13.733 10.559 0.000) 17.323 17.996 ( -14.359 -15.536 0.000) 21.155 19.617 ( -10.874 5.358 0.000) 12.122 21.495 ( 5.252 0.909 0.000) 5.330 23.147 ( 10.654 -1.181 0.000) 10.720 23.565 ( -8.438 -0.047 0.000) 8.438 25.420 ( 1.842 -1.419 0.000) 2.325 25.496 ( 0.821 0.352 0.000) 0.893 25.976 ( -5.537 1.667 0.000) 5.782 26.798 ( 5.339 -0.684 0.000) 5.383 26.976 ( -12.025 3.248 0.000) 12.456 27.637 ( -2.136 -0.172 0.000) 2.143 28.078 ( -6.747 -4.706 0.000) 8.226 32.056 ( 8.920 5.549 0.000) 10.505 32.428 ( -0.409 -3.821 0.000) 3.843 34.883 ( 1.893 0.199 0.000) 1.903 35.108 ( 3.967 -0.411 0.000) 3.989 36.175 ( 1.150 -0.220 0.000) 1.171 39.517 ( 0.249 0.058 0.000) 0.256 40.654 ( -1.623 -0.071 0.000) 1.625 42.611 ( -0.491 0.040 0.000) 0.493 ======================= Grid point 44 (32/245) ======================= q-point: (-0.62 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 3.198 1.851 0.000) 3.695 2.509 ( 3.241 1.135 0.000) 3.434 3.510 ( -11.900 4.374 0.000) 12.678 3.696 ( -6.323 -0.873 0.000) 6.382 4.063 ( -12.990 -2.208 0.000) 13.177 4.755 ( -12.681 1.392 0.000) 12.757 6.237 ( -12.268 1.722 0.000) 12.388 6.269 ( -10.723 -1.341 0.000) 10.807 7.376 ( -12.863 3.115 0.000) 13.235 7.588 ( -15.516 1.443 0.000) 15.583 7.673 ( -16.443 -1.546 0.000) 16.516 8.101 ( -7.241 0.839 0.000) 7.289 10.945 ( 52.005 -2.060 0.000) 52.046 13.740 ( 1.906 -1.970 0.000) 2.741 16.288 ( 44.980 6.319 0.000) 45.421 17.289 ( 7.678 24.297 0.000) 25.482 18.039 ( 2.650 -35.104 0.000) 35.204 19.359 ( -11.322 5.938 0.000) 12.785 21.605 ( 6.418 1.481 0.000) 6.586 23.256 ( -1.059 10.309 0.000) 10.363 23.515 ( 3.296 -11.128 0.000) 11.606 25.369 ( -12.859 4.234 0.000) 13.538 25.443 ( -2.083 -3.972 0.000) 4.485 25.802 ( -10.364 3.567 0.000) 10.960 26.657 ( -17.463 3.308 0.000) 17.773 26.959 ( 9.862 -3.738 0.000) 10.546 27.578 ( -4.715 -2.580 0.000) 5.375 28.036 ( -1.692 -7.122 0.000) 7.321 32.174 ( 8.517 14.150 0.000) 16.515 32.511 ( 5.591 -9.214 0.000) 10.778 34.980 ( 7.927 0.070 0.000) 7.927 35.228 ( 8.170 -0.453 0.000) 8.183 36.262 ( 7.234 -0.993 0.000) 7.302 39.508 ( -1.455 0.153 0.000) 1.463 40.615 ( -2.500 -0.482 0.000) 2.546 42.583 ( -2.244 0.295 0.000) 2.264 ======================= Grid point 45 (33/245) ======================= q-point: (-0.54 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 1.687 2.753 0.000) 3.229 2.525 ( -1.028 2.549 0.000) 2.749 3.206 ( -14.840 7.268 0.000) 16.524 3.471 ( -15.964 1.719 0.000) 16.057 3.808 ( -15.044 -5.400 0.000) 15.984 4.395 ( -22.341 4.344 0.000) 22.760 5.955 ( -14.853 1.414 0.000) 14.920 6.020 ( -15.449 -2.454 0.000) 15.642 7.125 ( -12.726 2.076 0.000) 12.894 7.187 ( -21.062 2.961 0.000) 21.269 7.300 ( -21.927 -2.334 0.000) 22.051 7.933 ( -8.296 2.298 0.000) 8.609 12.140 ( 65.681 -3.320 0.000) 65.765 13.852 ( 8.791 -3.059 0.000) 9.308 17.161 ( 42.675 22.828 0.000) 48.397 17.389 ( 24.849 13.252 0.000) 28.162 18.382 ( 9.870 -34.083 0.000) 35.483 19.140 ( -7.853 1.839 0.000) 8.065 21.722 ( 5.959 0.173 0.000) 5.962 23.074 ( -8.270 14.445 0.000) 16.645 23.674 ( 1.243 -14.265 0.000) 14.319 24.917 ( -29.496 7.217 0.000) 30.366 25.363 ( -10.645 -7.016 0.000) 12.749 25.581 ( -7.384 5.204 0.000) 9.034 26.298 ( -17.896 -0.521 0.000) 17.903 27.190 ( 6.580 -10.367 0.000) 12.279 27.497 ( -2.782 -0.868 0.000) 2.914 28.074 ( 1.120 -7.122 0.000) 7.209 32.227 ( 6.691 17.485 0.000) 18.721 32.749 ( 13.065 -8.403 0.000) 15.534 35.186 ( 13.101 -0.015 0.000) 13.101 35.434 ( 12.500 -0.714 0.000) 12.521 36.454 ( 11.102 -1.623 0.000) 11.220 39.443 ( -5.806 -0.432 0.000) 5.822 40.565 ( -2.992 -0.887 0.000) 3.121 42.521 ( -3.747 0.916 0.000) 3.858 ======================= Grid point 46 (34/245) ======================= q-point: (-0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -2.824 6.558 0.000) 7.140 2.390 ( -12.213 5.325 0.000) 13.324 2.907 ( -9.521 7.565 0.000) 12.161 3.106 ( -18.642 1.324 0.000) 18.689 3.534 ( -16.072 -3.769 0.000) 16.508 3.846 ( -29.246 7.948 0.000) 30.307 5.675 ( -12.679 -0.070 0.000) 12.679 5.724 ( -15.741 -3.874 0.000) 16.211 6.643 ( -27.199 1.782 0.000) 27.257 6.794 ( -26.194 -2.305 0.000) 26.295 7.055 ( -2.978 2.127 0.000) 3.660 7.778 ( -5.350 3.383 0.000) 6.329 13.461 ( 65.226 -4.998 0.000) 65.418 14.128 ( 17.199 -3.923 0.000) 17.641 17.507 ( 24.279 25.893 0.000) 35.495 18.269 ( 54.055 13.983 0.000) 55.834 18.788 ( 13.323 -24.700 0.000) 28.064 19.089 ( 5.256 -5.539 0.000) 7.636 21.823 ( 3.138 -1.711 0.000) 3.574 22.780 ( -12.599 15.762 0.000) 20.178 23.594 ( -21.737 -14.042 0.000) 25.878 24.195 ( -39.237 -0.046 0.000) 39.237 25.118 ( -17.562 -6.761 0.000) 18.819 25.494 ( 0.938 3.348 0.000) 3.477 25.964 ( -17.466 -2.555 0.000) 17.651 27.164 ( -15.782 -17.781 0.000) 23.775 27.599 ( 11.054 4.988 0.000) 12.128 28.164 ( 4.140 -7.447 0.000) 8.520 32.242 ( 5.583 18.686 0.000) 19.502 33.108 ( 19.484 -5.228 0.000) 20.174 35.486 ( 17.600 0.248 0.000) 17.602 35.721 ( 16.157 -1.133 0.000) 16.196 36.689 ( 11.286 -1.577 0.000) 11.396 39.263 ( -14.214 -2.869 0.000) 14.501 40.515 ( -2.422 -0.760 0.000) 2.538 42.431 ( -4.358 1.971 0.000) 4.783 ======================= Grid point 47 (35/245) ======================= q-point: (-0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -9.994 14.481 0.000) 17.595 1.984 ( -21.668 14.119 0.000) 25.863 2.690 ( -15.587 2.786 0.000) 15.834 2.834 ( -5.749 0.733 0.000) 5.795 3.119 ( -23.965 14.657 0.000) 28.092 3.334 ( -16.857 -3.896 0.000) 17.301 5.481 ( -7.395 -1.254 0.000) 7.501 5.491 ( -10.207 -6.493 0.000) 12.097 6.127 ( -23.509 1.619 0.000) 23.565 6.294 ( -24.877 -2.229 0.000) 24.977 7.025 ( 0.393 2.208 0.000) 2.243 7.693 ( -1.494 3.249 0.000) 3.575 14.495 ( 24.981 -3.493 0.000) 25.224 14.730 ( 51.657 -7.639 0.000) 52.219 17.923 ( 35.147 28.873 0.000) 45.486 18.976 ( 20.531 -0.255 0.000) 20.532 19.173 ( 19.192 -15.031 0.000) 24.378 19.709 ( 56.036 6.398 0.000) 56.400 21.802 ( -8.312 -0.487 0.000) 8.326 22.429 ( -15.796 9.531 0.000) 18.448 22.931 ( -45.727 -5.343 0.000) 46.038 23.477 ( -42.193 -18.660 0.000) 46.135 24.713 ( -31.794 -11.763 0.000) 33.900 25.584 ( 9.277 2.955 0.000) 9.736 25.647 ( -15.867 -2.101 0.000) 16.006 26.894 ( -20.939 -17.459 0.000) 27.262 27.716 ( 3.815 8.155 0.000) 9.004 28.331 ( 7.750 -8.132 0.000) 11.233 32.227 ( 4.132 19.416 0.000) 19.850 33.569 ( 25.039 -3.371 0.000) 25.265 35.868 ( 22.162 1.830 0.000) 22.238 36.063 ( 17.650 -1.319 0.000) 17.700 36.886 ( 7.590 -0.981 0.000) 7.653 38.895 ( -27.164 -7.446 0.000) 28.166 40.484 ( -0.914 -0.048 0.000) 0.916 42.341 ( -2.845 3.013 0.000) 4.144 ======================= Grid point 48 (36/245) ======================= q-point: (-0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -15.940 21.366 0.000) 26.656 1.482 ( -14.923 25.341 0.000) 29.409 2.151 ( -26.257 27.014 0.000) 37.672 2.737 ( -4.905 -5.680 0.000) 7.505 2.868 ( 1.306 3.053 0.000) 3.321 3.096 ( -10.817 -3.503 0.000) 11.370 5.401 ( -2.280 -2.862 0.000) 3.659 5.426 ( -0.922 -9.017 0.000) 9.064 5.744 ( -14.029 1.458 0.000) 14.105 5.901 ( -15.322 -1.683 0.000) 15.414 7.027 ( 0.850 2.429 0.000) 2.573 7.676 ( 1.070 2.040 0.000) 2.303 14.951 ( 19.720 -5.825 0.000) 20.563 15.650 ( 33.631 -8.073 0.000) 34.587 18.620 ( 57.245 27.218 0.000) 63.386 19.405 ( 22.748 -3.278 0.000) 22.983 19.653 ( 24.798 -1.043 0.000) 24.820 20.862 ( 57.810 8.113 0.000) 58.376 21.489 ( -25.769 -4.317 0.000) 26.128 21.796 ( -38.513 -1.699 0.000) 38.550 22.277 ( -38.316 -18.256 0.000) 42.442 22.754 ( -28.338 -5.449 0.000) 28.857 23.911 ( -60.240 -14.833 0.000) 62.039 25.378 ( -10.851 0.302 0.000) 10.856 25.776 ( 9.527 1.612 0.000) 9.662 26.604 ( -16.010 -12.803 0.000) 20.499 27.667 ( -1.521 13.308 0.000) 13.395 28.519 ( 5.748 -7.663 0.000) 9.579 32.176 ( 2.156 19.202 0.000) 19.323 34.106 ( 25.091 -7.941 0.000) 26.317 36.314 ( 20.410 2.176 0.000) 20.526 36.435 ( 25.327 2.408 0.000) 25.441 36.983 ( 1.998 -0.442 0.000) 2.046 38.259 ( -43.944 -10.259 0.000) 45.126 40.478 ( 0.245 0.496 0.000) 0.554 42.302 ( 0.673 2.478 0.000) 2.567 ======================= Grid point 49 (37/245) ======================= q-point: (-0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 27.255 0.000) 27.255 1.161 ( 0.000 31.523 0.000) 31.523 1.638 ( 0.000 40.515 0.000) 40.515 2.751 ( -0.000 -9.682 0.000) 9.682 2.888 ( 0.000 10.279 0.000) 10.279 2.993 ( -0.000 -10.991 0.000) 10.991 5.405 ( -0.000 -3.429 0.000) 3.429 5.507 ( -0.000 -12.147 0.000) 12.147 5.590 ( 0.000 1.621 0.000) 1.621 5.754 ( -0.000 -1.392 0.000) 1.392 7.023 ( 0.000 2.430 0.000) 2.430 7.689 ( 0.000 0.420 0.000) 0.420 15.235 ( -0.000 -11.104 0.000) 11.104 16.040 ( -0.000 -7.461 0.000) 7.461 19.540 ( 0.000 2.916 0.000) 2.916 19.914 ( -0.000 -3.894 0.000) 3.894 20.096 ( 0.000 3.613 0.000) 3.613 20.526 ( -0.000 -2.589 0.000) 2.589 21.256 ( -0.000 -3.469 0.000) 3.469 21.454 ( -0.000 -3.176 0.000) 3.176 22.242 ( -0.000 -1.344 0.000) 1.344 22.561 ( 0.000 2.483 0.000) 2.483 22.839 ( 0.000 0.358 0.000) 0.358 25.259 ( 0.000 1.590 0.000) 1.590 25.874 ( 0.000 0.903 0.000) 0.903 26.490 ( -0.000 -8.582 0.000) 8.582 27.550 ( 0.000 16.750 0.000) 16.750 28.619 ( -0.000 -6.618 0.000) 6.618 32.089 ( 0.000 17.786 0.000) 17.786 34.487 ( -0.000 -16.724 0.000) 16.724 36.496 ( -0.000 -0.477 0.000) 0.477 36.993 ( -0.000 -0.315 0.000) 0.315 37.065 ( 0.000 0.453 0.000) 0.453 37.452 ( 0.000 0.443 0.000) 0.443 40.479 ( 0.000 0.536 0.000) 0.536 42.316 ( 0.000 0.230 0.000) 0.230 ======================= Grid point 56 (38/245) ======================= q-point: (-0.69 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 3.123 0.000 0.000) 3.123 2.515 ( 3.548 0.000 0.000) 3.548 3.538 ( -11.591 -0.000 0.000) 11.591 3.689 ( -5.508 -0.000 0.000) 5.508 4.050 ( -13.735 -0.000 0.000) 13.735 4.763 ( -12.283 -0.000 0.000) 12.283 6.250 ( -12.430 -0.000 0.000) 12.430 6.258 ( -10.862 -0.000 0.000) 10.862 7.394 ( -12.872 -0.000 0.000) 12.872 7.599 ( -15.142 -0.000 0.000) 15.142 7.661 ( -16.838 -0.000 0.000) 16.838 8.106 ( -7.037 -0.000 0.000) 7.037 10.934 ( 51.855 0.000 0.000) 51.855 13.728 ( 1.836 0.000 0.000) 1.836 16.324 ( 46.633 0.000 0.000) 46.633 17.549 ( 16.602 0.000 0.000) 16.602 17.716 ( -6.374 -0.000 0.000) 6.374 19.394 ( -12.682 -0.000 0.000) 12.682 21.614 ( 6.109 0.000 0.000) 6.109 23.359 ( 10.185 0.000 0.000) 10.185 23.407 ( -7.503 -0.000 0.000) 7.503 25.395 ( -12.215 -0.000 0.000) 12.215 25.418 ( -2.233 -0.000 0.000) 2.233 25.823 ( -10.288 -0.000 0.000) 10.288 26.680 ( -18.570 -0.000 0.000) 18.570 26.935 ( 8.928 0.000 0.000) 8.928 27.561 ( -5.106 -0.000 0.000) 5.106 27.994 ( -0.742 -0.000 0.000) 0.742 32.291 ( 12.984 0.000 0.000) 12.984 32.424 ( 1.598 0.000 0.000) 1.598 34.980 ( 7.891 0.000 0.000) 7.891 35.225 ( 8.160 0.000 0.000) 8.160 36.256 ( 7.123 0.000 0.000) 7.123 39.509 ( -1.500 -0.000 0.000) 1.500 40.613 ( -2.573 -0.000 0.000) 2.573 42.585 ( -2.165 -0.000 0.000) 2.165 ======================= Grid point 58 (39/245) ======================= q-point: (-0.62 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 2.208 1.131 0.000) 2.480 2.544 ( -0.931 0.759 0.000) 1.201 3.267 ( -14.721 2.837 0.000) 14.992 3.491 ( -14.499 1.223 0.000) 14.551 3.758 ( -15.945 -2.688 0.000) 16.170 4.429 ( -21.340 1.446 0.000) 21.389 5.967 ( -15.780 0.533 0.000) 15.789 6.001 ( -15.249 -0.812 0.000) 15.271 7.140 ( -15.291 0.619 0.000) 15.304 7.223 ( -18.803 3.026 0.000) 19.045 7.269 ( -22.459 -2.686 0.000) 22.619 7.951 ( -7.951 0.808 0.000) 7.992 12.113 ( 65.503 -1.161 0.000) 65.513 13.827 ( 8.729 -1.137 0.000) 8.803 17.335 ( 56.687 6.252 0.000) 57.031 17.615 ( 11.740 25.610 0.000) 28.173 17.996 ( 12.795 -31.223 0.000) 33.743 19.156 ( -10.587 0.741 0.000) 10.613 21.724 ( 5.092 0.061 0.000) 5.093 23.226 ( -7.769 10.077 0.000) 12.724 23.524 ( 0.901 -10.037 0.000) 10.077 24.979 ( -30.071 2.995 0.000) 30.220 25.307 ( -10.350 -2.517 0.000) 10.652 25.620 ( -8.409 1.547 0.000) 8.551 26.298 ( -19.346 0.203 0.000) 19.347 27.095 ( 2.547 -4.702 0.000) 5.348 27.494 ( 1.143 -0.037 0.000) 1.144 28.021 ( 2.187 -2.249 0.000) 3.137 32.421 ( 6.184 14.603 0.000) 15.858 32.629 ( 14.275 -11.332 0.000) 18.225 35.187 ( 13.141 0.042 0.000) 13.142 35.426 ( 12.319 -0.385 0.000) 12.325 36.441 ( 11.160 -0.576 0.000) 11.175 39.439 ( -6.305 -0.165 0.000) 6.307 40.558 ( -2.938 -0.282 0.000) 2.952 42.528 ( -3.525 0.313 0.000) 3.539 ======================= Grid point 59 (40/245) ======================= q-point: (-0.54 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -0.250 3.983 0.000) 3.991 2.439 ( -9.518 2.948 0.000) 9.964 2.967 ( -13.356 2.826 0.000) 13.651 3.135 ( -19.023 3.069 0.000) 19.269 3.487 ( -13.508 -3.724 0.000) 14.012 3.923 ( -28.069 4.819 0.000) 28.480 5.658 ( -15.526 -2.015 0.000) 15.656 5.703 ( -14.559 -0.340 0.000) 14.563 6.664 ( -27.045 1.701 0.000) 27.099 6.768 ( -26.800 -2.064 0.000) 26.880 7.075 ( -2.941 1.247 0.000) 3.195 7.808 ( -5.486 1.782 0.000) 5.768 13.415 ( 64.737 -2.844 0.000) 64.799 14.092 ( 17.144 -2.174 0.000) 17.281 17.808 ( 24.184 25.993 0.000) 35.503 18.358 ( 35.728 -7.250 0.000) 36.456 18.548 ( 40.066 -8.459 0.000) 40.949 19.025 ( -0.398 -5.158 0.000) 5.173 21.808 ( 2.844 -0.900 0.000) 2.983 22.957 ( -13.108 14.189 0.000) 19.317 23.427 ( -19.767 -13.858 0.000) 24.141 24.207 ( -45.921 1.417 0.000) 45.943 25.049 ( -18.390 -4.674 0.000) 18.975 25.522 ( 0.042 1.497 0.000) 1.498 25.941 ( -17.597 -1.337 0.000) 17.648 27.004 ( -13.855 -9.315 0.000) 16.695 27.653 ( 12.785 3.726 0.000) 13.317 28.096 ( 3.705 -4.312 0.000) 5.685 32.448 ( 5.592 15.701 0.000) 16.667 33.021 ( 19.679 -8.708 0.000) 21.520 35.490 ( 18.017 0.299 0.000) 18.020 35.708 ( 15.934 -0.940 0.000) 15.961 36.675 ( 11.610 -0.859 0.000) 11.642 39.237 ( -15.567 -1.539 0.000) 15.643 40.509 ( -2.044 -0.281 0.000) 2.064 42.448 ( -4.076 0.976 0.000) 4.191 ======================= Grid point 60 (41/245) ======================= q-point: (-0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -5.373 11.709 0.000) 12.883 2.136 ( -16.059 11.333 0.000) 19.655 2.691 ( -15.974 -1.317 0.000) 16.028 2.824 ( -9.973 -2.864 0.000) 10.376 3.259 ( -13.881 6.819 0.000) 15.466 3.325 ( -24.174 4.045 0.000) 24.510 5.408 ( -11.750 -6.232 0.000) 13.300 5.476 ( -8.416 -0.536 0.000) 8.433 6.148 ( -23.572 1.853 0.000) 23.645 6.267 ( -24.669 -2.407 0.000) 24.786 7.048 ( 0.409 1.660 0.000) 1.710 7.723 ( -2.196 1.963 0.000) 2.946 14.465 ( 24.339 -1.562 0.000) 24.389 14.644 ( 51.383 -6.763 0.000) 51.826 18.233 ( 34.029 24.450 0.000) 41.902 18.978 ( 18.080 -1.287 0.000) 18.126 18.987 ( 20.961 -15.038 0.000) 25.798 19.772 ( 61.740 4.138 0.000) 61.878 21.797 ( -6.662 -0.288 0.000) 6.668 22.541 ( -23.044 9.679 0.000) 24.994 22.856 ( -44.865 -7.522 0.000) 45.491 23.305 ( -44.180 -10.728 0.000) 45.464 24.593 ( -33.814 -8.470 0.000) 34.859 25.608 ( 8.597 1.215 0.000) 8.682 25.627 ( -15.170 -1.364 0.000) 15.231 26.743 ( -16.890 -8.828 0.000) 19.058 27.824 ( 7.258 9.749 0.000) 12.154 28.234 ( 6.784 -8.422 0.000) 10.814 32.450 ( 4.500 18.201 0.000) 18.749 33.489 ( 22.414 -9.287 0.000) 24.262 35.890 ( 23.634 1.738 0.000) 23.698 36.046 ( 17.544 -1.469 0.000) 17.606 36.876 ( 7.962 -0.696 0.000) 7.992 38.828 ( -28.427 -4.262 0.000) 28.745 40.485 ( -0.498 0.138 0.000) 0.516 42.368 ( -3.008 1.616 0.000) 3.415 ======================= Grid point 61 (42/245) ======================= q-point: (-0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( -12.089 20.548 0.000) 23.841 1.768 ( -9.395 23.335 0.000) 25.156 2.371 ( -16.541 7.691 0.000) 18.242 2.697 ( -7.711 -0.693 0.000) 7.742 2.838 ( -9.841 -4.671 0.000) 10.893 3.118 ( -5.585 5.791 0.000) 8.045 5.298 ( -4.487 -10.691 0.000) 11.595 5.382 ( -2.223 -2.030 0.000) 3.010 5.762 ( -13.944 1.726 0.000) 14.050 5.880 ( -15.108 -1.950 0.000) 15.233 7.054 ( 0.913 2.097 0.000) 2.287 7.694 ( -0.033 1.205 0.000) 1.205 14.880 ( 16.465 -5.834 0.000) 17.468 15.560 ( 33.985 -7.116 0.000) 34.722 18.880 ( 47.006 18.230 0.000) 50.417 19.358 ( 25.259 -4.774 0.000) 25.706 19.644 ( 32.774 -0.687 0.000) 32.782 20.948 ( 54.456 6.411 0.000) 54.832 21.435 ( -37.281 -4.771 0.000) 37.585 21.787 ( -36.747 0.163 0.000) 36.747 22.085 ( -40.903 -14.086 0.000) 43.261 22.728 ( -15.534 -0.355 0.000) 15.538 23.779 ( -54.713 -8.546 0.000) 55.376 25.381 ( -9.587 0.278 0.000) 9.591 25.789 ( 8.902 0.666 0.000) 8.927 26.494 ( -11.986 -6.646 0.000) 13.706 27.830 ( 1.396 14.400 0.000) 14.467 28.419 ( 5.485 -9.577 0.000) 11.036 32.408 ( 2.436 20.020 0.000) 20.167 33.970 ( 18.337 -14.214 0.000) 23.201 36.331 ( 16.101 0.882 0.000) 16.125 36.460 ( 30.591 1.759 0.000) 30.641 36.978 ( 2.142 -0.442 0.000) 2.187 38.172 ( -41.251 -5.269 0.000) 41.586 40.483 ( 0.328 0.442 0.000) 0.550 42.323 ( -0.621 1.242 0.000) 1.388 ======================= Grid point 62 (43/245) ======================= q-point: (-0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 0.000 25.624 0.000) 25.624 1.515 ( 0.000 29.402 0.000) 29.402 2.049 ( 0.000 28.459 0.000) 28.459 2.640 ( -0.000 -7.997 0.000) 7.997 2.846 ( -0.000 -14.388 0.000) 14.388 3.009 ( 0.000 10.212 0.000) 10.212 5.329 ( -0.000 -11.554 0.000) 11.554 5.391 ( -0.000 -5.314 0.000) 5.314 5.611 ( 0.000 1.833 0.000) 1.833 5.736 ( -0.000 -1.637 0.000) 1.637 7.051 ( 0.000 2.370 0.000) 2.370 7.694 ( 0.000 0.396 0.000) 0.396 15.109 ( -0.000 -10.213 0.000) 10.213 15.951 ( -0.000 -7.512 0.000) 7.512 19.573 ( 0.000 2.846 0.000) 2.846 19.869 ( -0.000 -3.696 0.000) 3.696 20.140 ( 0.000 3.954 0.000) 3.954 20.496 ( -0.000 -2.389 0.000) 2.389 21.204 ( -0.000 -5.215 0.000) 5.215 21.427 ( -0.000 -1.523 0.000) 1.523 22.227 ( -0.000 -1.302 0.000) 1.302 22.592 ( 0.000 2.885 0.000) 2.885 22.839 ( -0.000 -0.279 0.000) 0.279 25.277 ( 0.000 1.461 0.000) 1.461 25.884 ( 0.000 0.851 0.000) 0.851 26.403 ( -0.000 -6.414 0.000) 6.414 27.745 ( 0.000 16.688 0.000) 16.688 28.529 ( -0.000 -8.856 0.000) 8.856 32.313 ( 0.000 20.358 0.000) 20.358 34.276 ( -0.000 -19.271 0.000) 19.271 36.491 ( -0.000 -0.468 0.000) 0.468 36.989 ( -0.000 -0.289 0.000) 0.289 37.070 ( 0.000 0.406 0.000) 0.406 37.457 ( 0.000 0.410 0.000) 0.410 40.485 ( 0.000 0.487 0.000) 0.487 42.319 ( 0.000 0.220 0.000) 0.220 ======================= Grid point 71 (44/245) ======================= q-point: (-0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 0.722 0.000 0.000) 0.722 2.456 ( -8.494 -0.000 0.000) 8.494 2.982 ( -15.010 -0.000 0.000) 15.010 3.157 ( -19.728 -0.000 0.000) 19.728 3.462 ( -12.089 -0.000 0.000) 12.089 3.952 ( -27.391 -0.000 0.000) 27.391 5.645 ( -16.490 -0.000 0.000) 16.490 5.702 ( -14.296 -0.000 0.000) 14.296 6.676 ( -26.895 -0.000 0.000) 26.895 6.754 ( -27.115 -0.000 0.000) 27.115 7.083 ( -2.928 -0.000 0.000) 2.928 7.819 ( -5.545 -0.000 0.000) 5.545 13.398 ( 64.574 0.000 0.000) 64.574 14.079 ( 17.090 0.000 0.000) 17.090 18.077 ( 26.491 0.000 0.000) 26.491 18.149 ( 17.117 0.000 0.000) 17.117 18.553 ( 62.415 0.000 0.000) 62.415 18.990 ( -5.567 -0.000 0.000) 5.567 21.803 ( 2.750 0.000 0.000) 2.750 23.064 ( -12.603 -0.000 0.000) 12.603 23.322 ( -20.078 -0.000 0.000) 20.078 24.217 ( -48.051 -0.000 0.000) 48.051 25.020 ( -18.727 -0.000 0.000) 18.727 25.530 ( -0.271 -0.000 0.000) 0.271 25.933 ( -17.718 -0.000 0.000) 17.718 26.950 ( -12.783 -0.000 0.000) 12.783 27.676 ( 13.910 0.000 0.000) 13.910 28.069 ( 3.065 0.000 0.000) 3.065 32.556 ( 4.528 0.000 0.000) 4.528 32.954 ( 20.689 0.000 0.000) 20.689 35.492 ( 18.186 0.000 0.000) 18.186 35.702 ( 15.865 0.000 0.000) 15.865 36.669 ( 11.723 0.000 0.000) 11.723 39.228 ( -16.005 -0.000 0.000) 16.005 40.508 ( -1.912 -0.000 0.000) 1.912 42.454 ( -3.996 -0.000 0.000) 3.996 ======================= Grid point 73 (45/245) ======================= q-point: (-0.54 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -1.209 5.057 0.000) 5.199 2.228 ( -12.681 4.010 0.000) 13.300 2.690 ( -15.521 1.569 0.000) 15.600 2.773 ( -17.435 -4.774 0.000) 18.077 3.291 ( -6.122 1.010 0.000) 6.205 3.390 ( -27.842 3.812 0.000) 28.102 5.355 ( -13.115 -2.475 0.000) 13.347 5.471 ( -8.891 -0.239 0.000) 8.894 6.167 ( -23.662 1.154 0.000) 23.690 6.243 ( -24.477 -1.380 0.000) 24.516 7.062 ( 0.408 0.616 0.000) 0.739 7.738 ( -2.600 0.655 0.000) 2.681 14.458 ( 21.279 0.043 0.000) 21.279 14.584 ( 53.743 -3.113 0.000) 53.833 18.481 ( 28.591 16.941 0.000) 33.233 18.795 ( 34.889 -14.538 0.000) 37.797 18.984 ( 8.258 0.296 0.000) 8.264 19.804 ( 64.728 1.396 0.000) 64.743 21.795 ( -5.743 -0.096 0.000) 5.744 22.651 ( -30.611 9.234 0.000) 31.974 22.760 ( -40.144 -8.764 0.000) 41.090 23.226 ( -45.729 -3.214 0.000) 45.841 24.525 ( -34.119 -3.105 0.000) 34.260 25.615 ( -3.830 -0.073 0.000) 3.830 25.616 ( -2.645 -0.130 0.000) 2.649 26.679 ( -14.612 -2.555 0.000) 14.834 27.925 ( 11.184 6.365 0.000) 12.869 28.145 ( 3.899 -5.786 0.000) 6.977 32.618 ( 4.350 8.795 0.000) 9.812 33.389 ( 21.144 -5.939 0.000) 21.962 35.905 ( 24.676 0.789 0.000) 24.689 36.033 ( 17.249 -0.706 0.000) 17.263 36.871 ( 8.149 -0.252 0.000) 8.153 38.795 ( -28.839 -1.378 0.000) 28.872 40.486 ( -0.323 0.073 0.000) 0.331 42.380 ( -3.139 0.507 0.000) 3.179 ======================= Grid point 74 (46/245) ======================= q-point: (-0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 425 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -7.884 18.199 0.000) 19.833 1.997 ( -4.047 13.705 0.000) 14.290 2.361 ( -15.306 -3.256 0.000) 15.649 2.613 ( -6.146 -13.472 0.000) 14.807 2.883 ( -18.207 8.862 0.000) 20.249 3.185 ( -3.258 4.716 0.000) 5.732 5.190 ( -6.301 -7.175 0.000) 9.549 5.362 ( -2.986 -1.277 0.000) 3.247 5.782 ( -13.947 1.575 0.000) 14.035 5.858 ( -14.841 -1.717 0.000) 14.940 7.073 ( 0.947 1.219 0.000) 1.544 7.704 ( -0.654 0.574 0.000) 0.870 14.825 ( 14.307 -3.430 0.000) 14.712 15.493 ( 34.334 -4.206 0.000) 34.591 19.053 ( 38.447 11.774 0.000) 40.210 19.297 ( 26.245 -5.587 0.000) 26.834 19.636 ( 40.041 -0.533 0.000) 40.045 21.007 ( 52.785 3.550 0.000) 52.904 21.387 ( -45.161 -3.143 0.000) 45.271 21.801 ( -36.023 2.305 0.000) 36.096 21.953 ( -37.505 -8.740 0.000) 38.510 22.730 ( -11.268 0.465 0.000) 11.277 23.705 ( -51.352 -4.198 0.000) 51.524 25.384 ( -8.734 0.165 0.000) 8.736 25.793 ( 8.779 0.169 0.000) 8.781 26.441 ( -10.635 -2.831 0.000) 11.005 27.996 ( 3.300 14.018 0.000) 14.401 28.297 ( 4.810 -11.368 0.000) 12.343 32.618 ( 2.597 14.874 0.000) 15.099 33.807 ( 14.926 -12.307 0.000) 19.346 36.337 ( 13.859 0.330 0.000) 13.863 36.475 ( 33.097 0.870 0.000) 33.109 36.974 ( 2.239 -0.273 0.000) 2.256 38.129 ( -39.571 -2.248 0.000) 39.635 40.487 ( 0.340 0.252 0.000) 0.423 42.333 ( -1.262 0.534 0.000) 1.371 ======================= Grid point 75 (47/245) ======================= q-point: (-0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 23.599 0.000) 23.599 1.840 ( 0.000 26.506 0.000) 26.506 2.217 ( -0.000 -1.785 0.000) 1.785 2.635 ( 0.000 8.866 0.000) 8.866 2.661 ( -0.000 -17.348 0.000) 17.348 3.115 ( 0.000 7.579 0.000) 7.579 5.187 ( -0.000 -11.267 0.000) 11.267 5.350 ( -0.000 -2.597 0.000) 2.597 5.632 ( 0.000 1.789 0.000) 1.789 5.717 ( -0.000 -1.662 0.000) 1.662 7.075 ( 0.000 1.742 0.000) 1.742 7.698 ( 0.000 0.273 0.000) 0.273 15.006 ( -0.000 -7.115 0.000) 7.115 15.873 ( -0.000 -5.606 0.000) 5.606 19.604 ( 0.000 2.409 0.000) 2.409 19.830 ( -0.000 -3.006 0.000) 3.006 20.183 ( 0.000 3.256 0.000) 3.256 20.472 ( -0.000 -1.629 0.000) 1.629 21.144 ( -0.000 -4.708 0.000) 4.708 21.416 ( -0.000 -0.483 0.000) 0.483 22.213 ( -0.000 -0.943 0.000) 0.943 22.625 ( 0.000 2.526 0.000) 2.526 22.833 ( -0.000 -0.716 0.000) 0.716 25.291 ( 0.000 1.015 0.000) 1.015 25.893 ( 0.000 0.603 0.000) 0.603 26.343 ( -0.000 -3.949 0.000) 3.949 27.935 ( 0.000 15.938 0.000) 15.938 28.414 ( -0.000 -11.007 0.000) 11.007 32.545 ( 0.000 18.647 0.000) 18.647 34.055 ( -0.000 -17.827 0.000) 17.827 36.486 ( -0.000 -0.341 0.000) 0.341 36.986 ( -0.000 -0.201 0.000) 0.201 37.074 ( 0.000 0.276 0.000) 0.276 37.461 ( 0.000 0.287 0.000) 0.287 40.490 ( 0.000 0.335 0.000) 0.335 42.321 ( 0.000 0.158 0.000) 0.158 ======================= Grid point 86 (48/245) ======================= q-point: (-0.54 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.600 0.000 0.000) 0.600 2.025 ( -8.455 -0.000 0.000) 8.455 2.388 ( -16.354 -0.000 0.000) 16.354 2.477 ( -8.283 -0.000 0.000) 8.283 2.943 ( -17.369 -0.000 0.000) 17.369 3.214 ( -2.807 -0.000 0.000) 2.807 5.146 ( -7.041 -0.000 0.000) 7.041 5.354 ( -3.245 -0.000 0.000) 3.245 5.793 ( -13.976 -0.000 0.000) 13.976 5.846 ( -14.708 -0.000 0.000) 14.708 7.081 ( 0.960 0.000 0.000) 0.960 7.708 ( -0.854 -0.000 0.000) 0.854 14.805 ( 13.535 0.000 0.000) 13.535 15.467 ( 34.488 0.000 0.000) 34.488 19.137 ( 35.104 0.000 0.000) 35.104 19.249 ( 26.462 0.000 0.000) 26.462 19.633 ( 43.047 0.000 0.000) 43.047 21.028 ( 52.429 0.000 0.000) 52.429 21.368 ( -47.793 -0.000 0.000) 47.793 21.826 ( -37.519 -0.000 0.000) 37.519 21.892 ( -34.484 -0.000 0.000) 34.484 22.734 ( -10.189 -0.000 0.000) 10.189 23.681 ( -50.223 -0.000 0.000) 50.223 25.385 ( -8.435 -0.000 0.000) 8.435 25.794 ( 8.789 0.000 0.000) 8.789 26.425 ( -10.353 -0.000 0.000) 10.353 28.139 ( 6.909 0.000 0.000) 6.909 28.169 ( 1.572 0.000 0.000) 1.572 32.713 ( 2.592 0.000 0.000) 2.592 33.726 ( 13.948 0.000 0.000) 13.948 36.339 ( 13.179 0.000 0.000) 13.179 36.480 ( 33.828 0.000 0.000) 33.828 36.972 ( 2.274 0.000 0.000) 2.274 38.117 ( -39.016 -0.000 0.000) 39.016 40.489 ( 0.339 0.000 0.000) 0.339 42.336 ( -1.455 -0.000 0.000) 1.455 ======================= Grid point 88 (49/245) ======================= q-point: (-0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 20.158 0.000) 20.158 2.090 ( -0.000 -15.857 0.000) 15.857 2.118 ( 0.000 19.638 0.000) 19.638 2.454 ( -0.000 -16.559 0.000) 16.559 2.750 ( 0.000 6.696 0.000) 6.696 3.177 ( 0.000 2.813 0.000) 2.813 5.091 ( -0.000 -4.589 0.000) 4.589 5.329 ( -0.000 -0.961 0.000) 0.961 5.650 ( 0.000 1.032 0.000) 1.032 5.700 ( -0.000 -0.989 0.000) 0.989 7.089 ( 0.000 0.643 0.000) 0.643 7.700 ( 0.000 0.096 0.000) 0.096 14.949 ( -0.000 -2.543 0.000) 2.543 15.828 ( -0.000 -2.079 0.000) 2.079 19.626 ( 0.000 1.086 0.000) 1.086 19.803 ( -0.000 -1.304 0.000) 1.304 20.211 ( 0.000 1.297 0.000) 1.297 20.460 ( -0.000 -0.570 0.000) 0.570 21.104 ( -0.000 -1.895 0.000) 1.895 21.413 ( -0.000 -0.093 0.000) 0.093 22.206 ( -0.000 -0.345 0.000) 0.345 22.647 ( 0.000 1.069 0.000) 1.069 22.826 ( -0.000 -0.424 0.000) 0.424 25.299 ( 0.000 0.362 0.000) 0.362 25.898 ( 0.000 0.218 0.000) 0.218 26.312 ( -0.000 -1.333 0.000) 1.333 28.112 ( 0.000 14.552 0.000) 14.552 28.275 ( -0.000 -12.870 0.000) 12.870 32.713 ( 0.000 8.565 0.000) 8.565 33.894 ( -0.000 -8.260 0.000) 8.260 36.483 ( -0.000 -0.124 0.000) 0.124 36.985 ( -0.000 -0.072 0.000) 0.072 37.076 ( 0.000 0.097 0.000) 0.097 37.463 ( 0.000 0.103 0.000) 0.103 40.493 ( 0.000 0.119 0.000) 0.119 42.322 ( 0.000 0.057 0.000) 0.057 ======================= Grid point 175 (50/245) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 0.000 0.000 28.147) 28.147 0.836 ( 0.000 0.000 40.653) 40.653 0.949 ( 0.000 0.000 45.687) 45.687 2.625 ( 0.000 0.000 8.109) 8.109 2.757 ( 0.000 0.000 -3.299) 3.299 3.202 ( 0.000 0.000 1.377) 1.377 5.259 ( 0.000 0.000 -1.969) 1.969 5.484 ( 0.000 0.000 -4.174) 4.174 5.543 ( 0.000 0.000 -1.572) 1.572 5.749 ( 0.000 0.000 -3.075) 3.075 7.000 ( 0.000 0.000 -2.717) 2.717 7.479 ( 0.000 0.000 -3.663) 3.663 14.748 ( 0.000 0.000 0.451) 0.451 16.875 ( 0.000 0.000 -13.606) 13.606 17.326 ( 0.000 0.000 3.126) 3.126 19.362 ( 0.000 0.000 -15.648) 15.648 20.095 ( 0.000 0.000 6.680) 6.680 21.279 ( 0.000 0.000 -1.633) 1.633 21.533 ( 0.000 0.000 -1.454) 1.454 22.122 ( 0.000 0.000 7.475) 7.475 22.220 ( 0.000 0.000 -4.944) 4.944 22.465 ( 0.000 0.000 7.557) 7.557 24.018 ( 0.000 0.000 14.131) 14.131 25.248 ( 0.000 0.000 2.371) 2.371 25.460 ( 0.000 0.000 4.770) 4.770 25.842 ( 0.000 0.000 -1.303) 1.303 28.622 ( 0.000 0.000 4.762) 4.762 30.618 ( 0.000 0.000 -5.578) 5.578 32.031 ( 0.000 0.000 6.931) 6.931 32.949 ( 0.000 0.000 0.721) 0.721 36.243 ( 0.000 0.000 -0.004) 0.004 37.015 ( 0.000 0.000 1.506) 1.506 37.293 ( 0.000 0.000 -5.698) 5.698 37.430 ( 0.000 0.000 -1.148) 1.148 41.122 ( 0.000 0.000 2.203) 2.203 41.882 ( 0.000 0.000 -2.855) 2.855 ======================= Grid point 176 (51/245) ======================= q-point: ( 0.08 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 22.021 -6.053 12.906) 26.233 0.888 ( 20.891 -9.450 17.284) 28.713 1.744 ( 46.057 -5.995 34.180) 57.667 2.659 ( 0.710 0.971 2.785) 3.033 2.713 ( -1.164 -7.067 2.412) 7.558 3.291 ( 9.168 1.498 1.646) 9.435 5.344 ( 7.047 -1.885 -3.421) 8.057 5.449 ( -0.839 -1.340 -2.807) 3.222 5.708 ( 14.735 -0.162 -1.157) 14.781 5.905 ( 15.552 0.156 -2.738) 15.792 6.969 ( -1.431 0.030 -1.123) 1.819 7.493 ( 0.288 -2.977 -3.231) 4.403 14.722 ( -6.288 -6.191 -2.136) 9.079 16.044 ( -51.828 6.012 6.015) 52.521 17.232 ( -17.167 -17.683 2.266) 24.750 19.182 ( -11.982 0.218 -15.563) 19.643 19.902 ( -14.349 0.133 8.390) 16.622 20.652 ( -68.402 -1.524 2.001) 68.448 21.563 ( 6.933 0.594 -0.451) 6.973 21.865 ( 33.565 0.865 -0.586) 33.581 22.661 ( 8.370 2.024 10.001) 13.198 23.335 ( 54.197 2.749 0.531) 54.269 24.902 ( 37.535 38.619 -26.529) 60.034 25.330 ( 7.155 -7.364 -1.856) 10.434 25.587 ( 2.263 -11.838 3.590) 12.575 26.048 ( 28.736 -10.465 -24.838) 39.398 28.536 ( -7.387 3.949 5.231) 9.876 29.936 ( -29.455 46.187 32.693) 63.794 31.886 ( -3.702 3.159 11.158) 12.173 33.065 ( -9.712 -41.436 -4.690) 42.816 36.116 ( -12.254 -0.540 -0.552) 12.278 36.520 ( -26.351 0.169 7.293) 27.342 37.008 ( -1.281 0.090 1.757) 2.176 38.452 ( 38.451 6.457 -34.314) 51.939 40.914 ( -8.409 8.208 18.272) 21.724 41.965 ( 4.504 -7.491 -3.878) 9.562 ======================= Grid point 177 (52/245) ======================= q-point: ( 0.15 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 22.346 -5.250 4.855) 23.462 1.438 ( 31.172 -9.498 -6.215) 33.174 2.557 ( 8.249 -3.017 4.239) 9.752 2.714 ( 29.128 -5.390 17.535) 34.423 2.855 ( 11.525 -4.833 2.880) 12.825 3.515 ( 14.144 2.263 1.624) 14.416 5.468 ( 4.882 0.538 -2.556) 5.537 5.563 ( 12.201 -0.604 -4.550) 13.035 6.092 ( 23.627 -0.340 -0.329) 23.631 6.316 ( 25.313 0.219 -2.098) 25.401 6.958 ( 0.106 -0.425 -0.917) 1.016 7.533 ( 2.402 -3.170 -1.230) 4.164 14.541 ( -14.312 0.515 -3.981) 14.865 14.945 ( -59.556 1.941 0.860) 59.594 16.963 ( -17.770 -14.506 4.160) 23.313 18.939 ( -12.005 3.026 -16.428) 20.571 19.232 ( -69.059 -2.448 2.212) 69.138 19.749 ( -5.948 0.541 3.953) 7.162 21.823 ( 16.262 0.752 -0.057) 16.279 22.296 ( 4.461 -2.754 9.931) 11.230 23.042 ( 35.505 2.388 0.972) 35.598 24.211 ( 37.439 9.266 0.644) 38.573 24.998 ( -1.970 8.947 -7.159) 11.627 25.422 ( 1.391 -3.250 -0.354) 3.553 25.779 ( 16.511 3.187 4.831) 17.496 26.699 ( 24.560 -6.059 -32.111) 40.878 28.307 ( -12.538 5.704 5.587) 14.864 29.292 ( -15.410 30.633 27.686) 44.072 31.844 ( -1.673 -2.728 8.014) 8.629 33.036 ( -11.443 -23.463 -2.091) 26.188 35.820 ( -16.985 0.160 -0.922) 17.011 36.076 ( -21.328 -0.235 -0.224) 21.330 36.942 ( -5.467 0.719 2.409) 6.017 38.909 ( 16.062 4.878 -26.515) 31.382 40.803 ( -0.298 4.347 19.299) 19.785 42.121 ( 7.464 -4.708 -3.402) 9.458 ======================= Grid point 178 (53/245) ======================= q-point: ( 0.23 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( 12.791 -3.435 1.988) 13.392 2.039 ( 21.888 -5.511 -12.773) 25.934 2.560 ( 1.118 -6.890 -0.685) 7.014 3.095 ( 15.189 -0.846 -1.416) 15.278 3.510 ( 34.473 -6.074 12.766) 37.259 3.793 ( 15.212 1.861 0.662) 15.339 5.616 ( 10.559 -1.151 -1.469) 10.723 5.838 ( 15.751 2.264 -4.827) 16.629 6.595 ( 25.996 -0.879 -0.421) 26.015 6.836 ( 26.540 0.342 -1.229) 26.570 6.988 ( 3.566 -0.896 0.993) 3.808 7.640 ( 6.934 -3.390 1.052) 7.790 13.665 ( -65.699 3.871 1.346) 65.827 14.231 ( -18.094 2.139 -5.250) 18.961 16.738 ( -14.370 -13.151 3.406) 19.775 17.917 ( -60.669 -6.955 7.469) 61.522 18.802 ( -5.486 1.794 -21.455) 22.218 19.656 ( -2.186 9.563 -0.454) 9.820 22.036 ( 2.134 6.222 8.542) 10.782 22.365 ( 6.517 -12.176 10.283) 17.218 23.766 ( 34.863 2.780 -6.267) 35.531 24.554 ( 3.191 11.954 5.278) 13.451 25.011 ( 7.945 -9.690 -3.998) 13.153 25.530 ( 10.040 6.426 -1.698) 12.040 26.112 ( 18.131 3.428 3.795) 18.839 27.069 ( 11.419 -4.386 -18.255) 21.974 28.008 ( -13.753 5.699 5.453) 15.854 28.903 ( -10.390 20.354 15.212) 27.453 31.835 ( -1.461 -4.288 6.476) 7.903 32.914 ( -11.079 -11.966 -1.075) 16.343 35.485 ( -16.325 1.183 -1.773) 16.464 35.679 ( -19.482 -1.854 -3.124) 19.818 36.790 ( -9.056 1.672 3.555) 9.872 39.110 ( 7.656 2.057 -22.291) 23.659 40.809 ( 2.236 2.789 18.054) 18.404 42.293 ( 7.567 -2.744 -3.184) 8.656 ======================= Grid point 179 (54/245) ======================= q-point: ( 0.31 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 2.511 1.672 -1.867) 3.548 2.248 ( 0.177 -7.729 -7.360) 10.674 2.832 ( 18.914 -6.998 -6.734) 21.262 3.399 ( 14.309 -1.214 -3.948) 14.893 4.008 ( 14.418 3.481 1.886) 14.951 4.169 ( 23.001 -5.117 0.523) 23.569 5.890 ( 16.031 -1.500 0.393) 16.106 6.128 ( 14.891 2.530 -3.090) 15.418 6.976 ( 9.274 -2.990 -1.659) 9.884 7.202 ( 21.037 -0.335 5.201) 21.673 7.328 ( 22.124 -0.455 0.017) 22.129 7.842 ( 11.394 -2.754 2.032) 11.897 12.358 ( -63.853 5.113 4.041) 64.185 13.894 ( -14.305 2.046 -8.157) 16.594 16.428 ( -28.847 -13.685 1.724) 31.975 17.084 ( -24.988 -7.832 9.473) 27.847 18.703 ( -4.555 0.088 -22.029) 22.495 19.532 ( -2.653 16.672 -3.072) 17.159 21.910 ( -8.268 2.813 17.608) 19.654 22.660 ( 13.026 -11.869 6.277) 18.707 24.102 ( -1.380 8.925 -2.083) 9.268 24.673 ( 19.295 -4.062 1.381) 19.766 25.244 ( 8.079 -8.081 -3.275) 11.887 25.697 ( 10.938 9.980 -2.584) 15.031 26.409 ( 13.848 3.596 2.547) 14.533 27.207 ( 0.506 -1.169 -8.376) 8.472 27.758 ( -7.273 3.586 5.408) 9.747 28.628 ( -7.983 13.147 6.692) 16.773 31.834 ( -1.131 -4.209 5.303) 6.864 32.757 ( -9.758 -5.417 -1.131) 11.218 35.181 ( -13.598 2.012 -3.428) 14.167 35.357 ( -14.620 -3.277 -4.576) 15.666 36.588 ( -9.889 2.256 5.266) 11.429 39.208 ( 3.509 0.509 -20.980) 21.277 40.840 ( 2.098 1.893 17.528) 17.754 42.437 ( 5.687 -1.485 -3.134) 6.661 ======================= Grid point 180 (55/245) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -4.173 2.234 -4.216) 6.339 2.293 ( 0.396 -6.984 -6.922) 9.842 3.224 ( 16.306 -4.842 -8.584) 19.053 3.627 ( 7.479 -1.230 -5.893) 9.601 4.208 ( 8.794 3.025 0.946) 9.348 4.565 ( 14.434 -2.798 -6.320) 16.003 6.202 ( 13.764 0.910 0.645) 13.809 6.376 ( 11.106 0.845 2.132) 11.340 7.186 ( 12.022 -5.939 1.190) 13.462 7.597 ( 16.333 -0.512 4.536) 16.959 7.705 ( 15.961 -0.882 1.819) 16.088 8.075 ( 10.055 -1.159 1.697) 10.263 11.173 ( -52.007 6.496 5.750) 52.725 13.664 ( -8.521 0.670 -13.904) 16.321 15.934 ( -24.813 -15.302 9.938) 30.799 16.867 ( -5.931 -1.176 2.187) 6.430 18.621 ( -4.805 -4.523 -20.034) 21.093 19.372 ( -2.619 18.819 -3.630) 19.344 21.747 ( -6.751 0.326 20.041) 21.150 22.966 ( 11.371 -10.366 6.938) 16.879 23.898 ( -10.345 7.675 3.088) 13.246 25.091 ( 16.266 -4.386 -4.907) 17.547 25.416 ( 5.306 -8.323 -2.139) 10.100 25.821 ( 7.224 9.007 -2.883) 11.900 26.609 ( 8.445 0.857 1.344) 8.594 27.113 ( -6.666 6.419 -2.724) 9.647 27.701 ( 0.632 -0.735 5.846) 5.926 28.438 ( -5.444 7.064 1.807) 9.100 31.839 ( -0.557 -3.037 4.285) 5.282 32.612 ( -6.888 -2.039 -1.837) 7.414 34.945 ( -9.228 1.401 -5.149) 10.660 35.149 ( -8.579 -2.590 -5.752) 10.648 36.400 ( -7.553 1.961 7.233) 10.640 39.253 ( 1.386 -0.053 -20.622) 20.668 40.864 ( 1.197 1.126 17.358) 17.436 42.530 ( 3.261 -0.681 -3.146) 4.582 ======================= Grid point 181 (56/245) ======================= q-point: ( 0.46 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -2.368 0.608 -5.614) 6.124 2.330 ( 0.334 -2.432 -7.949) 8.319 3.493 ( 8.105 -2.316 -8.939) 12.287 3.698 ( 0.032 -0.084 -7.166) 7.166 4.316 ( 3.285 1.189 1.638) 3.859 4.762 ( 4.740 -0.810 -10.414) 11.471 6.375 ( 4.541 1.137 -0.767) 4.744 6.527 ( 4.043 0.162 7.570) 8.583 7.488 ( 11.772 -4.784 2.445) 12.940 7.794 ( 3.506 0.272 4.263) 5.526 7.944 ( 6.954 -0.684 2.602) 7.456 8.212 ( 3.250 0.033 1.719) 3.677 10.369 ( -23.053 3.839 6.471) 24.249 13.548 ( -3.076 0.051 -20.291) 20.522 15.692 ( -7.434 -7.294 18.453) 21.190 16.787 ( -2.086 1.328 -4.635) 5.253 18.578 ( -2.146 -4.084 -17.612) 18.206 19.244 ( -1.152 9.413 -2.752) 9.875 21.656 ( -2.420 -0.198 20.463) 20.606 23.206 ( 6.963 -6.274 8.441) 12.613 23.674 ( -7.059 5.218 3.183) 9.337 25.295 ( 3.698 -1.360 -8.002) 8.919 25.557 ( 3.861 -4.781 0.563) 6.171 25.874 ( 2.289 4.172 -3.837) 6.113 26.756 ( 5.871 -4.482 0.730) 7.423 26.936 ( -6.127 8.307 -1.174) 10.388 27.728 ( 0.794 -0.744 7.385) 7.465 28.338 ( -1.985 2.133 -0.492) 2.955 31.845 ( -0.115 -1.113 3.678) 3.844 32.525 ( -2.519 -0.479 -2.564) 3.626 34.816 ( -3.251 0.430 -6.115) 6.939 35.048 ( -2.825 -0.906 -6.646) 7.278 36.288 ( -2.810 0.777 8.629) 9.108 39.269 ( 0.345 -0.075 -20.538) 20.541 40.874 ( 0.359 0.376 17.315) 17.322 42.574 ( 1.031 -0.188 -3.163) 3.332 ======================= Grid point 189 (57/245) ======================= q-point: ( 0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 21.834 0.000 8.145) 23.304 1.378 ( 34.983 0.000 -9.834) 36.339 2.539 ( 9.474 0.000 5.223) 10.818 2.681 ( 30.370 0.000 19.234) 35.949 2.825 ( 10.787 0.000 2.108) 10.991 3.529 ( 13.946 0.000 1.464) 14.023 5.472 ( 3.864 0.000 -2.538) 4.623 5.557 ( 13.931 0.000 -4.323) 14.586 6.090 ( 23.585 0.000 -0.374) 23.588 6.317 ( 25.291 0.000 -2.210) 25.388 6.956 ( 0.085 0.000 -0.854) 0.858 7.513 ( 2.741 0.000 -1.060) 2.939 14.543 ( -11.871 -0.000 -3.767) 12.454 14.955 ( -60.866 -0.000 0.622) 60.869 16.876 ( -15.371 -0.000 6.254) 16.595 18.958 ( -9.766 -0.000 -18.074) 20.543 19.215 ( -73.924 -0.000 4.555) 74.064 19.753 ( -2.419 -0.000 2.946) 3.811 21.828 ( 16.820 0.000 0.089) 16.821 22.280 ( 2.919 0.000 10.396) 10.798 23.056 ( 35.179 0.000 1.612) 35.216 24.266 ( 39.123 0.000 -1.771) 39.163 25.052 ( -14.330 -0.000 -4.902) 15.146 25.402 ( 7.512 0.000 -0.433) 7.525 25.799 ( 16.233 0.000 6.049) 17.323 26.660 ( 26.609 0.000 -35.622) 44.463 28.339 ( -13.219 -0.000 4.149) 13.855 29.494 ( -23.561 -0.000 23.400) 33.207 31.836 ( -1.862 -0.000 8.725) 8.921 32.874 ( -3.881 -0.000 0.528) 3.917 35.821 ( -16.733 -0.000 -0.714) 16.748 36.074 ( -21.656 -0.000 -0.144) 21.656 36.946 ( -5.289 -0.000 2.504) 5.852 38.939 ( 14.392 0.000 -27.931) 31.421 40.832 ( -1.618 -0.000 19.546) 19.613 42.091 ( 8.870 0.000 -2.853) 9.318 ======================= Grid point 190 (58/245) ======================= q-point: ( 0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 15.149 -1.144 2.669) 15.425 1.995 ( 23.521 -2.033 -14.190) 27.545 2.504 ( 0.001 -2.529 -0.261) 2.542 3.087 ( 15.223 -0.432 -1.984) 15.358 3.459 ( 36.820 -2.344 14.651) 39.697 3.809 ( 14.438 0.766 0.391) 14.464 5.606 ( 10.122 -0.455 -1.421) 10.231 5.856 ( 16.146 0.747 -5.306) 17.012 6.588 ( 25.714 -0.301 -0.606) 25.723 6.839 ( 26.710 0.101 -1.637) 26.760 6.982 ( 3.268 -0.281 1.354) 3.548 7.612 ( 7.309 -1.308 1.369) 7.550 13.696 ( -66.168 1.428 1.367) 66.197 14.247 ( -17.399 0.689 -6.370) 18.542 16.632 ( -12.105 -4.759 5.646) 14.179 17.863 ( -62.182 -2.358 7.680) 62.699 18.812 ( -5.789 0.316 -20.390) 21.198 19.734 ( 0.219 3.557 -3.012) 4.666 22.121 ( 4.233 8.468 8.940) 13.022 22.233 ( 3.594 -10.563 10.964) 15.643 23.786 ( 35.268 0.782 -5.154) 35.652 24.693 ( -7.793 10.686 3.084) 13.581 24.888 ( 13.505 -9.974 -2.220) 16.935 25.586 ( 11.732 2.695 -1.514) 12.133 26.140 ( 18.027 1.346 4.735) 18.687 27.030 ( 12.053 -1.944 -19.363) 22.890 28.052 ( -14.599 1.906 3.795) 15.204 29.080 ( -16.337 8.592 12.513) 22.300 31.813 ( -0.579 -0.233 6.849) 6.877 32.799 ( -6.426 -6.214 0.055) 8.939 35.497 ( -15.632 0.665 -1.770) 15.746 35.661 ( -20.501 -0.990 -3.186) 20.771 36.803 ( -8.877 0.616 3.654) 9.619 39.127 ( 6.492 0.766 -22.645) 23.569 40.833 ( 1.487 1.177 18.132) 18.231 42.270 ( 8.529 -1.123 -2.929) 9.088 ======================= Grid point 191 (59/245) ======================= q-point: ( 0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.894 ( 6.445 3.437 -1.709) 7.502 2.159 ( -3.135 -6.937 -6.497) 10.008 2.769 ( 20.859 -3.723 -7.692) 22.542 3.388 ( 14.229 -0.700 -4.667) 14.991 4.044 ( 15.381 2.771 1.540) 15.704 4.116 ( 23.222 -3.855 2.296) 23.652 5.876 ( 16.664 -0.912 0.864) 16.711 6.153 ( 14.344 1.509 -4.516) 15.113 6.949 ( 8.348 -1.605 -1.740) 8.677 7.200 ( 20.903 -0.038 5.463) 21.605 7.322 ( 21.876 -0.471 -0.192) 21.882 7.816 ( 12.233 -1.615 2.395) 12.569 12.407 ( -63.186 3.113 3.923) 63.384 13.910 ( -15.401 0.824 -8.647) 17.682 16.306 ( -29.161 -7.224 2.761) 30.169 17.012 ( -21.879 -4.386 11.021) 24.888 18.695 ( -7.038 -0.912 -21.079) 22.241 19.692 ( -0.843 9.951 -7.323) 12.384 21.945 ( -10.109 2.882 20.558) 23.090 22.541 ( 14.531 -7.919 5.023) 17.295 24.184 ( -1.602 4.955 -2.996) 6.008 24.640 ( 16.566 -1.681 2.361) 16.817 25.164 ( 8.837 -5.152 -2.242) 10.472 25.791 ( 10.677 5.872 -2.919) 12.530 26.445 ( 13.372 2.326 3.212) 13.947 27.190 ( 3.524 -1.460 -7.784) 8.668 27.793 ( -9.366 2.243 3.632) 10.293 28.749 ( -12.998 7.253 4.933) 15.681 31.814 ( 0.520 0.026 5.530) 5.555 32.692 ( -7.545 -5.017 -0.530) 9.076 35.210 ( -12.946 2.848 -3.575) 13.730 35.315 ( -15.428 -3.802 -4.707) 16.573 36.609 ( -9.986 1.276 5.291) 11.373 39.213 ( 3.005 0.282 -20.828) 21.046 40.859 ( 1.574 1.196 17.392) 17.504 42.422 ( 6.288 -0.915 -3.017) 7.034 ======================= Grid point 192 (60/245) ======================= q-point: ( 0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( -4.581 5.188 -4.201) 8.096 2.201 ( 2.324 -8.487 -5.870) 10.578 3.178 ( 17.705 -3.026 -9.284) 20.219 3.614 ( 7.747 -0.947 -6.340) 10.056 4.239 ( 7.958 2.169 -0.007) 8.249 4.535 ( 15.741 -2.261 -4.416) 16.504 6.217 ( 16.004 1.436 2.322) 16.235 6.384 ( 9.835 0.443 -0.812) 9.878 7.125 ( 10.731 -4.319 1.723) 11.695 7.594 ( 16.617 -0.154 4.651) 17.256 7.694 ( 15.739 -0.932 1.847) 15.874 8.063 ( 10.968 -0.844 1.795) 11.146 11.243 ( -51.897 5.217 5.616) 52.460 13.663 ( -9.632 -0.556 -13.505) 16.597 15.783 ( -22.961 -10.195 9.094) 26.718 16.863 ( -1.474 0.151 5.404) 5.603 18.545 ( -9.941 -6.835 -18.953) 22.466 19.584 ( -2.442 15.841 -9.017) 18.391 21.759 ( -7.085 1.447 22.160) 23.310 22.853 ( 12.454 -8.520 6.654) 16.491 23.972 ( -11.498 5.002 2.879) 12.865 25.051 ( 18.097 -2.376 -3.809) 18.646 25.327 ( 5.280 -6.531 -2.058) 8.647 25.913 ( 5.393 6.430 -3.496) 9.091 26.626 ( 6.753 1.701 1.897) 7.218 27.181 ( -3.045 4.921 -1.685) 6.027 27.693 ( -0.850 -0.515 4.260) 4.375 28.492 ( -10.254 2.447 0.924) 10.583 31.832 ( 1.739 1.347 4.396) 4.916 32.577 ( -6.300 -3.566 -1.387) 7.371 34.966 ( -9.716 2.299 -5.521) 11.410 35.112 ( -7.921 -3.489 -5.689) 10.358 36.420 ( -8.071 1.363 7.184) 10.891 39.252 ( 1.281 -0.030 -20.380) 20.420 40.876 ( 0.758 0.872 17.182) 17.221 42.523 ( 3.619 -0.515 -3.098) 4.792 ======================= Grid point 193 (61/245) ======================= q-point: ( 0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -2.488 2.980 -5.458) 6.698 2.292 ( 2.716 -3.952 -7.642) 9.022 3.471 ( 10.258 -1.486 -9.105) 13.796 3.693 ( 0.306 -0.562 -7.294) 7.322 4.329 ( 2.062 1.051 1.124) 2.573 4.752 ( 5.595 -0.941 -9.639) 11.184 6.401 ( 4.205 3.262 -0.487) 5.344 6.526 ( 3.904 -0.425 6.590) 7.671 7.430 ( 14.719 -5.014 2.887) 15.815 7.801 ( 4.343 0.869 4.300) 6.173 7.932 ( 7.056 -1.286 2.667) 7.652 8.213 ( 3.689 0.196 1.719) 4.074 10.417 ( -26.120 4.233 6.292) 27.198 13.539 ( -3.690 -1.453 -19.876) 20.268 15.602 ( -1.548 -7.614 16.854) 18.559 16.844 ( 1.045 7.480 -1.691) 7.739 18.432 ( -7.576 -17.089 -15.289) 24.149 19.422 ( -3.794 17.388 -7.650) 19.371 21.664 ( -1.761 1.384 21.448) 21.564 23.122 ( 9.862 -7.614 8.154) 14.890 23.732 ( -9.596 4.492 3.377) 11.120 25.288 ( 5.536 0.137 -6.991) 8.918 25.481 ( 5.921 -7.340 -0.357) 9.437 25.932 ( 0.013 5.003 -3.917) 6.354 26.723 ( 4.395 -1.254 0.711) 4.626 27.043 ( -6.289 9.573 -0.067) 11.454 27.713 ( 1.043 -1.652 6.364) 6.657 28.329 ( -6.372 -3.144 -0.529) 7.126 31.862 ( 2.688 3.655 3.557) 5.765 32.504 ( -2.815 -3.001 -2.263) 4.696 34.824 ( -3.686 0.939 -6.292) 7.352 35.032 ( -2.011 -1.744 -6.607) 7.123 36.296 ( -3.666 0.594 8.589) 9.357 39.268 ( 0.425 -0.036 -20.427) 20.432 40.879 ( -0.054 0.357 17.232) 17.236 42.572 ( 1.254 -0.167 -3.151) 3.395 ======================= Grid point 194 (62/245) ======================= q-point: (-0.54 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 2.381 1.874 -5.687) 6.443 2.347 ( 1.853 0.494 -8.312) 8.531 3.525 ( -5.649 3.050 -8.622) 10.749 3.693 ( 0.328 -0.926 -7.142) 7.209 4.303 ( -4.652 -1.012 1.962) 5.149 4.769 ( -3.877 0.378 -11.079) 11.744 6.375 ( -5.033 1.188 -1.014) 5.270 6.523 ( -4.318 -0.384 8.179) 9.257 7.536 ( -7.721 3.245 2.243) 8.670 7.795 ( -3.222 0.624 4.195) 5.326 7.946 ( -6.534 -0.372 2.630) 7.054 8.213 ( -3.061 0.334 1.686) 3.511 10.332 ( 19.563 -2.373 6.497) 20.750 13.537 ( 2.443 -1.716 -20.522) 20.738 15.757 ( 14.958 3.559 18.650) 24.171 16.829 ( 3.270 8.826 -5.554) 10.929 18.465 ( -1.047 -21.423 -14.509) 25.895 19.262 ( -3.360 10.345 -4.536) 11.784 21.669 ( 3.026 1.862 20.063) 20.375 23.257 ( -1.115 2.219 8.821) 9.164 23.620 ( 1.747 -3.688 2.828) 4.965 25.317 ( -1.638 2.294 -8.125) 8.600 25.572 ( -0.526 -2.353 0.887) 2.569 25.856 ( -5.541 1.416 -4.681) 7.390 26.820 ( -2.744 4.390 0.988) 5.270 26.863 ( 0.159 -2.142 -1.319) 2.520 27.728 ( -0.441 -0.714 7.529) 7.576 28.280 ( -2.000 -7.462 0.122) 7.726 31.890 ( 3.063 6.393 3.252) 7.799 32.513 ( 2.161 -2.653 -2.504) 4.241 34.814 ( 2.941 0.098 -6.019) 6.699 35.052 ( 3.509 -0.146 -6.592) 7.469 36.278 ( 1.905 -0.789 8.660) 8.902 39.270 ( -0.265 0.101 -20.643) 20.645 40.870 ( -0.781 -0.298 17.384) 17.404 42.576 ( -0.803 0.164 -3.175) 3.279 ======================= Grid point 195 (63/245) ======================= q-point: (-0.46 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 4.250 0.689 -4.313) 6.094 2.360 ( 1.015 4.489 -8.010) 9.238 3.288 ( -14.459 6.116 -7.812) 17.535 3.640 ( -6.919 0.917 -5.536) 8.908 4.171 ( -9.828 -3.318 1.924) 10.550 4.596 ( -13.032 2.424 -8.351) 15.667 6.198 ( -12.475 0.303 -0.537) 12.490 6.365 ( -11.926 -0.932 4.571) 12.806 7.258 ( -13.051 6.232 0.767) 14.483 7.606 ( -16.074 0.908 4.402) 16.690 7.712 ( -16.236 0.265 1.922) 16.352 8.089 ( -9.003 1.228 1.480) 9.207 11.100 ( 51.982 -5.925 5.831) 52.643 13.647 ( 7.503 -2.255 -14.210) 16.227 16.124 ( 28.488 16.608 10.817) 34.705 16.901 ( 8.949 5.477 -1.407) 10.586 18.587 ( 1.905 -13.067 -18.803) 22.976 19.212 ( 0.247 -6.066 -0.585) 6.099 21.753 ( 6.247 1.190 18.514) 19.576 23.086 ( -9.621 10.295 6.870) 15.676 23.797 ( 8.872 -9.583 3.363) 13.485 25.151 ( -14.122 5.925 -5.964) 16.435 25.504 ( -4.263 5.772 -1.845) 7.409 25.719 ( -9.848 -7.271 -3.481) 12.727 26.610 ( -11.289 1.081 1.207) 11.405 27.040 ( 9.065 -6.033 -3.150) 11.336 27.705 ( -1.697 -0.160 7.038) 7.242 28.330 ( 1.426 -11.087 3.080) 11.595 31.908 ( 3.278 8.717 3.638) 9.998 32.618 ( 7.283 -1.287 -1.998) 7.661 34.934 ( 9.013 -0.543 -4.874) 10.261 35.171 ( 8.927 1.184 -5.619) 10.614 36.376 ( 6.949 -2.122 7.269) 10.277 39.253 ( -1.530 0.068 -20.887) 20.943 40.851 ( -1.658 -1.067 17.539) 17.649 42.538 ( -2.870 0.670 -3.198) 4.349 ======================= Grid point 196 (64/245) ======================= q-point: (-0.38 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( 0.062 0.928 -2.031) 2.233 2.330 ( -1.657 6.232 -8.382) 10.575 2.927 ( -16.511 9.180 -5.758) 19.749 3.415 ( -14.528 1.462 -3.091) 14.925 3.963 ( -13.983 -4.277 2.346) 14.810 4.231 ( -21.794 5.482 -1.802) 22.545 5.909 ( -15.375 1.589 -0.402) 15.462 6.097 ( -15.758 -2.633 -0.912) 16.002 7.016 ( -10.647 3.875 -1.511) 11.430 7.209 ( -21.043 0.807 4.892) 21.619 7.330 ( -22.513 -0.092 0.319) 22.515 7.877 ( -10.354 3.137 1.489) 10.920 12.294 ( 64.512 -5.621 4.197) 64.892 13.863 ( 13.230 -3.231 -7.552) 15.572 16.618 ( 28.035 18.672 0.061) 33.684 17.188 ( 29.590 9.678 7.224) 31.960 18.674 ( 1.800 -6.143 -22.519) 23.411 19.332 ( 4.226 -16.312 1.942) 16.962 21.885 ( 6.569 -1.489 15.450) 16.855 22.806 ( -11.644 13.175 6.477) 18.738 23.982 ( 0.482 -11.442 -1.002) 11.496 24.734 ( -21.633 6.376 0.281) 22.555 25.340 ( -8.844 7.844 -5.214) 12.920 25.571 ( -10.344 -10.974 -2.097) 15.226 26.367 ( -14.770 -3.473 2.059) 15.312 27.209 ( 3.140 -1.212 -8.926) 9.539 27.715 ( 3.846 -3.734 8.168) 9.770 28.458 ( 3.700 -15.439 8.421) 17.971 31.918 ( 3.464 10.278 4.603) 11.782 32.803 ( 11.706 2.114 -1.506) 11.990 35.164 ( 13.832 -1.006 -3.219) 14.238 35.387 ( 14.129 1.833 -4.322) 14.889 36.559 ( 9.796 -2.699 5.197) 11.413 39.201 ( -4.219 -0.628 -21.145) 21.571 40.817 ( -2.651 -1.944 17.653) 17.957 42.455 ( -4.979 1.592 -3.276) 6.169 ======================= Grid point 197 (65/245) ======================= q-point: (-0.31 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -9.167 5.412 1.009) 10.693 2.117 ( -18.875 7.569 -10.802) 23.027 2.657 ( -2.854 9.509 -1.309) 10.014 3.103 ( -15.538 0.565 -0.629) 15.561 3.585 ( -28.901 5.941 9.469) 30.987 3.775 ( -18.153 -0.519 1.533) 18.225 5.631 ( -11.327 1.270 -1.688) 11.522 5.804 ( -15.486 -3.441 -3.663) 16.281 6.608 ( -26.429 1.388 -0.104) 26.465 6.830 ( -26.559 -0.757 -0.630) 26.577 7.003 ( -3.783 1.542 0.438) 4.109 7.686 ( -6.487 4.270 0.541) 7.786 13.610 ( 64.999 -5.327 1.487) 65.234 14.198 ( 18.885 -3.410 -3.715) 19.547 16.926 ( 17.865 18.770 -0.200) 25.914 18.022 ( 58.313 10.946 6.910) 59.733 18.762 ( 4.835 -5.397 -22.862) 23.983 19.524 ( 6.284 -12.626 3.663) 14.572 21.976 ( -1.274 -4.170 7.910) 9.032 22.513 ( -8.759 13.168 9.170) 18.282 23.717 ( -33.263 -5.775 -7.856) 34.662 24.431 ( -11.945 -8.965 8.324) 17.098 25.092 ( -11.808 3.354 -7.098) 14.180 25.457 ( -5.156 -4.908 -1.580) 7.292 26.066 ( -18.134 -4.254 2.667) 18.816 27.119 ( -10.646 3.495 -16.229) 19.722 27.924 ( 11.831 -8.459 9.419) 17.328 28.652 ( 5.263 -21.237 16.802) 27.587 31.923 ( 3.250 10.902 5.714) 12.730 33.041 ( 15.706 8.849 -1.986) 18.137 35.473 ( 16.982 -0.781 -1.754) 17.090 35.698 ( 18.336 1.193 -2.961) 18.612 36.766 ( 9.403 -2.268 3.358) 10.239 39.082 ( -9.496 -2.737 -21.684) 23.830 40.774 ( -3.046 -3.012 17.798) 18.306 42.329 ( -6.338 3.158 -3.527) 7.911 ======================= Grid point 198 (66/245) ======================= q-point: (-0.23 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( -19.911 10.380 2.096) 22.551 1.581 ( -25.514 14.622 -2.749) 29.535 2.607 ( -6.775 5.448 2.657) 9.091 2.787 ( -20.324 5.796 10.136) 23.439 2.935 ( -18.338 9.359 7.643) 21.961 3.478 ( -14.758 -4.045 2.127) 15.450 5.462 ( -6.126 -0.478 -2.690) 6.707 5.560 ( -10.101 -1.456 -4.535) 11.168 6.098 ( -23.722 0.769 -0.257) 23.736 6.311 ( -25.377 -0.652 -1.815) 25.450 6.967 ( -0.099 1.128 -1.122) 1.594 7.580 ( -1.935 4.526 -1.556) 5.162 14.527 ( 19.189 -1.972 -4.039) 19.708 14.908 ( 56.301 -4.506 1.305) 56.496 17.193 ( 23.251 24.068 -0.816) 33.474 18.895 ( 13.537 -4.410 -14.924) 20.625 19.259 ( 59.692 1.809 -0.328) 59.720 19.745 ( 16.314 0.177 5.918) 17.355 21.813 ( -15.033 -0.953 -0.419) 15.069 22.341 ( -8.546 4.762 8.545) 12.990 23.000 ( -36.448 -4.774 -0.859) 36.770 24.065 ( -35.306 -15.104 6.810) 39.000 24.859 ( -17.618 -14.169 -11.231) 25.244 25.470 ( 5.498 4.562 -0.785) 7.187 25.736 ( -16.287 -3.878 3.051) 17.018 26.782 ( -20.589 7.346 -23.990) 32.456 28.203 ( 9.823 -12.008 11.543) 19.337 28.912 ( 6.300 -30.210 29.214) 42.495 31.918 ( 2.565 10.194 6.750) 12.493 33.311 ( 20.819 20.926 -5.045) 29.946 35.820 ( 17.727 0.214 -1.431) 17.786 36.077 ( 20.568 -0.119 -0.429) 20.573 36.931 ( 5.940 -1.206 2.158) 6.434 38.836 ( -19.584 -7.155 -23.345) 31.300 40.747 ( -1.621 -4.867 18.305) 19.010 42.185 ( -5.268 5.707 -4.319) 8.887 ======================= Grid point 199 (67/245) ======================= q-point: (-0.15 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -19.659 16.067 8.822) 26.878 1.073 ( -15.319 20.587 15.899) 30.187 1.876 ( -41.457 16.138 29.964) 53.638 2.686 ( 0.747 5.013 0.193) 5.072 2.789 ( 0.813 4.899 1.057) 5.077 3.257 ( -9.609 -4.338 1.954) 10.722 5.364 ( -3.658 0.897 -5.132) 6.366 5.469 ( 0.498 1.142 -4.388) 4.561 5.712 ( -14.643 0.525 -1.076) 14.691 5.901 ( -15.654 -0.557 -2.629) 15.883 6.972 ( 1.030 0.603 -1.292) 1.759 7.546 ( 1.016 5.259 -4.137) 6.768 14.819 ( 12.830 8.049 -7.437) 16.873 15.934 ( 42.129 -11.709 4.699) 43.978 17.570 ( 33.377 36.347 -8.641) 50.098 19.176 ( 13.583 -0.835 -15.929) 20.951 19.899 ( 17.565 -0.279 9.471) 19.957 20.686 ( 64.770 4.270 0.771) 64.916 21.550 ( -8.037 -1.628 -0.710) 8.231 21.845 ( -34.872 -2.586 -1.046) 34.983 22.609 ( -13.289 -7.280 6.478) 16.479 23.274 ( -49.581 -7.466 8.947) 50.932 24.388 ( -53.938 -43.196 -13.306) 70.372 25.369 ( -10.771 1.356 0.144) 10.858 25.700 ( 9.436 5.836 0.701) 11.117 26.250 ( -23.032 20.761 -22.290) 38.188 28.432 ( 5.435 -14.700 13.194) 20.487 29.271 ( 7.203 -52.145 46.925) 70.519 31.908 ( 1.674 7.227 8.051) 10.948 33.611 ( 27.342 40.780 -17.327) 52.065 36.130 ( 13.378 1.870 -3.039) 13.845 36.516 ( 26.130 -0.565 6.119) 26.843 37.006 ( 1.512 -0.285 1.607) 2.225 38.333 ( -40.493 -12.223 -24.922) 49.094 40.790 ( 2.074 -10.418 19.075) 21.833 42.079 ( -0.575 9.778 -7.164) 12.135 ======================= Grid point 200 (68/245) ======================= q-point: (-0.08 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.000 11.378 24.699) 27.194 0.921 ( 0.000 13.898 36.482) 39.040 1.117 ( 0.000 25.795 38.272) 46.153 2.658 ( 0.000 5.036 2.311) 5.541 2.804 ( 0.000 4.854 -3.645) 6.070 3.182 ( -0.000 -3.450 1.541) 3.779 5.316 ( 0.000 5.658 -7.579) 9.458 5.501 ( 0.000 2.151 -6.132) 6.499 5.546 ( 0.000 0.577 -1.617) 1.717 5.746 ( -0.000 -0.512 -3.065) 3.107 6.991 ( -0.000 -0.874 -1.702) 1.913 7.531 ( 0.000 6.715 -6.523) 9.362 14.884 ( 0.000 17.077 -11.982) 20.861 16.557 ( -0.000 -30.185 4.897) 30.580 17.838 ( 0.000 57.624 -34.118) 66.966 19.370 ( 0.000 1.238 -15.876) 15.924 20.103 ( 0.000 1.277 6.611) 6.733 21.277 ( -0.000 -0.534 -1.672) 1.755 21.517 ( -0.000 -2.558 -1.545) 2.988 21.968 ( -0.000 -22.660 16.044) 27.765 22.220 ( -0.000 -0.089 -4.646) 4.647 22.528 ( 0.000 7.692 5.728) 9.590 23.658 ( -0.000 -43.652 33.691) 55.141 25.252 ( 0.000 0.725 2.340) 2.449 25.770 ( 0.000 38.498 -9.155) 39.572 25.844 ( 0.000 0.291 -1.374) 1.405 28.566 ( -0.000 -10.570 9.057) 13.919 29.805 ( -0.000 -91.127 51.079) 104.466 31.906 ( -0.000 -0.860 10.320) 10.355 33.681 ( 0.000 67.242 -40.268) 78.377 36.258 ( 0.000 2.606 -3.351) 4.245 37.014 ( -0.000 -0.147 1.510) 1.517 37.226 ( -0.000 -9.361 -2.109) 9.596 37.432 ( 0.000 0.197 -1.158) 1.175 40.931 ( -0.000 -21.270 15.614) 26.386 42.022 ( 0.000 14.826 -11.877) 18.996 ======================= Grid point 203 (69/245) ======================= q-point: ( 0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 10.184 0.000 -1.471) 10.290 2.111 ( -6.668 -0.000 -6.332) 9.195 2.747 ( 21.598 0.000 -8.093) 23.064 3.384 ( 14.227 0.000 -4.945) 15.061 4.070 ( 11.732 0.000 -0.833) 11.762 4.084 ( 27.299 0.000 5.204) 27.791 5.871 ( 16.920 0.000 1.011) 16.950 6.162 ( 14.167 0.000 -5.003) 15.024 6.939 ( 8.022 0.000 -1.769) 8.215 7.200 ( 20.818 0.000 5.579) 21.553 7.319 ( 21.801 0.000 -0.274) 21.803 7.807 ( 12.558 0.000 2.520) 12.809 12.426 ( -62.902 -0.000 3.879) 63.022 13.915 ( -15.872 -0.000 -8.835) 18.166 16.264 ( -29.204 -0.000 3.124) 29.371 16.986 ( -20.811 -0.000 11.567) 23.809 18.689 ( -7.923 -0.000 -20.744) 22.206 19.751 ( -0.156 -0.000 -8.901) 8.902 21.965 ( -11.194 -0.000 22.278) 24.933 22.492 ( 15.471 0.000 4.003) 15.980 24.213 ( -1.452 -0.000 -3.390) 3.688 24.631 ( 15.104 0.000 2.784) 15.358 25.133 ( 9.417 0.000 -1.907) 9.608 25.826 ( 10.491 0.000 -3.076) 10.932 26.459 ( 13.239 0.000 3.542) 13.704 27.180 ( 4.641 0.000 -7.584) 8.891 27.807 ( -9.967 -0.000 3.042) 10.420 28.791 ( -15.228 -0.000 4.221) 15.802 31.817 ( 1.026 0.000 5.510) 5.605 32.660 ( -6.483 -0.000 -0.208) 6.486 35.235 ( -11.234 -0.000 -3.395) 11.736 35.284 ( -17.190 -0.000 -4.977) 17.896 36.616 ( -10.026 -0.000 5.295) 11.339 39.214 ( 2.823 0.000 -20.766) 20.957 40.866 ( 1.353 0.000 17.333) 17.386 42.417 ( 6.529 0.000 -2.971) 7.173 ======================= Grid point 204 (70/245) ======================= q-point: ( 0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( -7.155 4.866 -4.334) 9.677 2.110 ( 5.873 -6.042 -5.112) 9.856 3.154 ( 18.443 -1.019 -9.697) 20.862 3.606 ( 7.843 -0.346 -6.648) 10.287 4.256 ( 7.408 0.808 -0.671) 7.482 4.516 ( 16.594 -0.878 -3.193) 16.921 6.231 ( 18.054 0.723 3.835) 18.471 6.387 ( 8.614 0.080 -3.160) 9.176 7.090 ( 9.784 -1.589 2.133) 10.139 7.593 ( 16.834 -0.002 4.724) 17.484 7.686 ( 15.598 -0.403 1.899) 15.718 8.057 ( 11.487 -0.311 1.814) 11.634 11.287 ( -51.788 2.024 5.509) 52.119 13.656 ( -10.366 -0.446 -13.198) 16.788 15.703 ( -22.177 -3.524 8.611) 24.049 16.865 ( 1.684 0.181 7.294) 7.488 18.486 ( -13.345 -2.809 -18.656) 23.109 19.714 ( -2.156 5.906 -12.153) 13.683 21.774 ( -7.307 0.886 23.876) 24.985 22.781 ( 13.029 -3.464 6.260) 14.864 24.012 ( -12.168 1.744 2.751) 12.597 25.034 ( 19.349 -0.663 -3.037) 19.597 25.273 ( 4.919 -2.502 -2.130) 5.915 25.964 ( 4.251 2.269 -4.103) 6.329 26.642 ( 6.131 0.883 2.401) 6.643 27.221 ( -0.179 1.756 -0.594) 1.862 27.690 ( -2.026 -0.019 2.851) 3.498 28.504 ( -13.590 0.242 0.553) 13.603 31.853 ( 3.011 1.405 4.217) 5.369 32.542 ( -5.885 -1.890 -0.962) 6.255 34.994 ( -10.944 1.995 -6.027) 12.653 35.074 ( -6.573 -2.495 -5.346) 8.833 36.431 ( -8.369 0.485 7.149) 11.017 39.252 ( 1.228 -0.009 -20.235) 20.272 40.883 ( 0.486 0.330 17.072) 17.082 42.519 ( 3.836 -0.193 -3.070) 4.917 ======================= Grid point 205 (71/245) ======================= q-point: ( 0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -3.106 3.156 -5.269) 6.883 2.246 ( 5.046 -3.492 -7.475) 9.672 3.459 ( 11.755 -0.701 -9.146) 14.911 3.687 ( 0.374 -0.463 -7.466) 7.490 4.339 ( 1.235 0.613 0.651) 1.525 4.742 ( 6.198 -0.620 -9.002) 10.947 6.444 ( 3.582 3.864 -0.128) 5.271 6.515 ( 4.328 -1.479 5.461) 7.123 7.379 ( 16.465 -3.328 3.417) 17.142 7.811 ( 5.222 0.859 4.332) 6.840 7.917 ( 6.880 -1.100 2.743) 7.488 8.215 ( 4.143 0.140 1.698) 4.479 10.460 ( -28.186 2.836 6.073) 28.972 13.520 ( -4.070 -1.485 -19.437) 19.914 15.529 ( 1.695 -4.562 15.412) 16.162 16.935 ( 6.149 7.078 1.476) 9.491 18.246 ( -13.971 -12.959 -14.521) 23.958 19.593 ( -5.149 10.844 -11.484) 16.613 21.683 ( -1.301 1.594 22.583) 22.677 23.043 ( 11.217 -5.354 7.994) 14.778 23.773 ( -10.677 2.500 3.405) 11.483 25.300 ( 6.774 2.071 -5.361) 8.884 25.400 ( 6.675 -6.412 -1.643) 9.401 25.978 ( -1.003 2.778 -4.564) 5.436 26.720 ( 3.215 0.355 0.871) 3.350 27.143 ( -5.374 6.956 1.699) 8.953 27.694 ( 0.936 -1.303 4.489) 4.768 28.281 ( -9.866 -4.252 -0.087) 10.743 31.914 ( 4.876 4.468 3.095) 7.302 32.464 ( -3.293 -3.302 -1.781) 4.992 34.836 ( -4.271 0.933 -6.508) 7.840 35.011 ( -1.141 -1.553 -6.489) 6.769 36.301 ( -4.273 0.315 8.553) 9.566 39.268 ( 0.484 -0.010 -20.342) 20.348 40.882 ( -0.357 0.220 17.164) 17.169 42.570 ( 1.417 -0.099 -3.142) 3.448 ======================= Grid point 206 (72/245) ======================= q-point: (-0.62 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.772 ( 2.168 2.754 -5.659) 6.657 2.344 ( 3.732 -0.701 -8.654) 9.451 3.563 ( -3.212 3.527 -8.205) 9.490 3.675 ( 0.359 -2.141 -7.226) 7.545 4.293 ( -5.818 -0.633 2.041) 6.198 4.771 ( -3.244 0.015 -11.504) 11.953 6.397 ( -5.763 2.164 -1.282) 6.288 6.519 ( -4.451 -0.390 8.473) 9.579 7.562 ( -3.379 1.438 2.262) 4.313 7.807 ( -3.589 1.289 4.082) 5.586 7.936 ( -6.088 -1.158 2.748) 6.779 8.219 ( -3.054 0.528 1.642) 3.507 10.314 ( 16.464 -0.930 6.383) 17.682 13.513 ( 2.023 -2.177 -20.579) 20.793 15.777 ( 21.015 0.296 17.161) 27.133 16.983 ( 5.770 16.806 -3.977) 18.209 18.167 ( -5.171 -27.262 -10.713) 29.745 19.402 ( -7.064 11.431 -8.395) 15.845 21.695 ( 3.358 2.414 20.173) 20.592 23.258 ( 6.422 -1.560 8.904) 11.088 23.593 ( -5.084 -0.983 2.712) 5.846 25.346 ( 0.056 2.621 -7.051) 7.523 25.521 ( 0.918 -5.266 -0.451) 5.364 25.890 ( -6.488 3.317 -5.414) 9.078 26.802 ( 5.194 -2.457 -1.099) 5.850 26.932 ( -11.022 8.286 1.738) 13.898 27.713 ( -0.338 -1.731 6.829) 7.054 28.180 ( -4.443 -8.779 1.215) 9.914 31.983 ( 5.817 8.862 2.437) 10.877 32.466 ( 1.361 -5.021 -2.097) 5.609 34.817 ( 2.672 0.347 -5.996) 6.574 35.047 ( 4.060 -0.676 -6.487) 7.682 36.270 ( 1.161 -0.591 8.675) 8.772 39.271 ( -0.205 0.089 -20.720) 20.721 40.868 ( -1.118 -0.180 17.427) 17.464 42.578 ( -0.621 0.109 -3.184) 3.245 ======================= Grid point 207 (73/245) ======================= q-point: (-0.54 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 4.236 2.227 -4.397) 6.499 2.398 ( 2.110 2.190 -8.913) 9.417 3.362 ( -12.577 6.354 -7.167) 15.809 3.645 ( -6.016 -0.090 -5.395) 8.081 4.134 ( -11.043 -2.909 2.796) 11.758 4.619 ( -11.836 1.485 -10.086) 15.621 6.208 ( -12.190 1.281 -1.215) 12.317 6.356 ( -12.335 -0.739 6.206) 13.828 7.326 ( -13.568 5.240 0.495) 14.553 7.618 ( -15.837 1.215 4.253) 16.443 7.710 ( -16.530 -0.656 2.191) 16.688 8.103 ( -8.128 1.061 1.189) 8.283 11.040 ( 51.776 -4.207 5.837) 52.274 13.615 ( 6.878 -2.903 -14.387) 16.208 16.294 ( 34.156 11.802 10.576) 37.653 17.014 ( 8.902 14.764 -3.657) 17.624 18.328 ( 2.900 -28.996 -11.880) 31.469 19.222 ( -5.241 5.177 -4.092) 8.427 21.772 ( 5.521 1.988 17.802) 18.744 23.203 ( -7.034 9.813 6.411) 13.670 23.679 ( 7.043 -10.606 3.765) 13.277 25.224 ( -11.728 6.397 -6.592) 14.897 25.510 ( -4.102 -4.937 -0.649) 6.451 25.692 ( -11.389 2.637 -5.989) 13.135 26.635 ( -14.558 3.268 1.515) 14.997 26.976 ( 9.395 -4.983 -3.104) 11.078 27.695 ( -2.277 -1.555 7.995) 8.457 28.196 ( -0.287 -11.229 4.295) 12.026 32.034 ( 5.840 12.616 2.576) 14.139 32.580 ( 7.176 -5.210 -1.746) 9.038 34.931 ( 8.901 -0.015 -4.691) 10.061 35.177 ( 9.098 0.058 -5.387) 10.573 36.353 ( 6.406 -1.781 7.277) 9.857 39.254 ( -1.682 0.064 -21.109) 21.176 40.840 ( -2.032 -0.789 17.677) 17.811 42.545 ( -2.538 0.518 -3.242) 4.150 ======================= Grid point 208 (74/245) ======================= q-point: (-0.46 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 1.721 2.575 -2.241) 3.823 2.390 ( -1.864 4.096 -9.150) 10.197 3.038 ( -14.451 9.668 -5.106) 18.121 3.432 ( -14.678 1.396 -2.501) 14.955 3.910 ( -14.112 -4.707 3.108) 15.197 4.291 ( -20.049 4.533 -4.287) 20.997 5.926 ( -15.128 1.330 -1.271) 15.240 6.071 ( -16.646 -1.911 1.459) 16.818 7.063 ( -12.163 4.030 -1.244) 12.874 7.221 ( -20.928 1.246 4.518) 21.446 7.325 ( -22.898 -0.951 0.707) 22.929 7.912 ( -9.412 2.768 0.886) 9.851 12.233 ( 64.865 -4.859 4.355) 65.192 13.822 ( 12.622 -3.610 -7.020) 14.887 16.853 ( 27.370 21.373 -2.404) 34.810 17.303 ( 33.781 10.118 4.825) 35.592 18.535 ( 2.975 -18.066 -17.951) 25.641 19.188 ( 1.883 -7.893 2.550) 8.506 21.875 ( 5.001 -0.348 14.407) 15.254 22.961 ( -10.237 13.368 5.682) 17.770 23.841 ( -0.588 -12.692 0.239) 12.708 24.818 ( -23.376 7.915 -0.642) 24.689 25.381 ( -14.977 -4.764 -7.630) 17.471 25.488 ( -5.171 0.433 -1.898) 5.525 26.333 ( -16.182 -2.111 1.939) 16.434 27.175 ( 5.213 -4.613 -8.203) 10.758 27.676 ( 1.173 -2.684 10.993) 11.376 28.288 ( 2.229 -13.282 8.918) 16.153 32.066 ( 5.651 14.836 3.580) 16.275 32.800 ( 12.777 -2.785 -1.455) 13.158 35.157 ( 13.935 -0.270 -3.038) 14.265 35.400 ( 13.726 0.371 -3.937) 14.284 36.528 ( 9.752 -2.502 5.082) 11.278 39.194 ( -4.964 -0.602 -21.261) 21.841 40.797 ( -3.051 -1.534 17.713) 18.039 42.472 ( -4.368 1.330 -3.401) 5.693 ======================= Grid point 209 (75/245) ======================= q-point: (-0.38 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -5.407 6.424 0.063) 8.397 2.208 ( -14.972 7.784 -9.159) 19.200 2.772 ( -4.896 10.026 -1.853) 11.311 3.108 ( -16.527 0.222 0.082) 16.529 3.617 ( -19.577 -0.902 5.446) 20.340 3.804 ( -24.308 5.676 3.092) 25.153 5.643 ( -12.352 0.622 -2.227) 12.566 5.763 ( -15.696 -3.458 -1.708) 16.163 6.627 ( -26.857 1.845 0.288) 26.922 6.817 ( -26.880 -1.415 -0.061) 26.918 7.023 ( -3.810 1.962 -0.115) 4.287 7.735 ( -6.215 3.992 -0.019) 7.387 13.546 ( 64.309 -5.576 1.863) 64.577 14.155 ( 19.304 -3.928 -2.430) 19.849 17.162 ( 21.058 21.470 -4.166) 30.360 18.163 ( 56.122 12.732 5.173) 57.780 18.671 ( 4.651 -10.177 -21.996) 24.678 19.376 ( 10.270 -12.469 7.075) 17.635 21.937 ( -0.973 -2.586 7.701) 8.181 22.669 ( -10.703 13.619 7.380) 18.828 23.631 ( -30.186 -9.095 -8.388) 32.623 24.353 ( -21.739 -4.415 10.535) 24.557 25.073 ( -18.667 -6.194 -10.169) 22.142 25.436 ( 0.709 1.138 -1.867) 2.298 26.018 ( -17.987 -3.854 1.907) 18.494 27.136 ( -10.090 -0.863 -11.919) 15.640 27.830 ( 9.988 -6.706 13.851) 18.346 28.435 ( 4.277 -15.776 14.829) 22.070 32.081 ( 4.992 16.031 4.868) 17.482 33.106 ( 18.185 2.027 -2.155) 18.424 35.468 ( 17.511 -0.135 -1.711) 17.595 35.704 ( 17.396 -0.033 -2.682) 17.602 36.740 ( 9.859 -2.284 3.096) 10.583 39.050 ( -11.378 -2.703 -20.987) 24.026 40.743 ( -3.482 -2.340 17.368) 17.867 42.363 ( -5.380 2.695 -3.810) 7.122 ======================= Grid point 210 (76/245) ======================= q-point: (-0.31 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -15.580 13.100 0.653) 20.366 1.764 ( -20.017 16.449 -0.874) 25.923 2.675 ( -6.916 5.819 1.551) 9.171 2.827 ( -10.775 1.250 3.019) 11.259 3.074 ( -24.555 13.851 11.413) 30.415 3.427 ( -15.880 -4.480 3.108) 16.790 5.455 ( -7.068 -0.934 -3.204) 7.816 5.528 ( -9.679 -3.829 -3.303) 10.921 6.110 ( -23.850 1.224 -0.215) 23.883 6.300 ( -25.454 -1.316 -1.478) 25.531 6.984 ( -0.046 1.758 -1.438) 2.272 7.631 ( -1.974 4.191 -1.814) 4.975 14.497 ( 23.155 -2.887 -3.421) 23.584 14.840 ( 52.544 -6.991 1.526) 53.029 17.494 ( 28.281 26.877 -6.219) 39.508 18.836 ( 12.850 -5.932 -15.757) 21.180 19.270 ( 49.497 0.191 1.517) 49.521 19.756 ( 30.900 1.662 6.441) 31.608 21.803 ( -13.795 -0.764 -0.811) 13.840 22.403 ( -14.314 5.892 6.252) 16.694 22.932 ( -37.807 -6.799 -3.344) 38.559 23.881 ( -35.412 -15.729 14.441) 41.351 24.686 ( -29.701 -15.187 -14.223) 36.264 25.522 ( 7.617 4.193 -1.557) 8.833 25.694 ( -15.214 -3.214 2.115) 15.693 26.851 ( -17.090 4.071 -13.277) 22.021 28.054 ( 6.395 -11.760 18.971) 23.218 28.636 ( 5.944 -17.951 21.191) 28.401 32.073 ( 3.672 16.104 5.888) 17.535 33.486 ( 24.063 8.918 -5.364) 26.217 35.827 ( 18.936 1.062 -1.949) 19.065 36.071 ( 19.755 -0.955 -0.707) 19.791 36.915 ( 6.558 -1.356 1.841) 6.945 38.753 ( -22.665 -6.784 -20.209) 31.114 40.698 ( -2.463 -3.388 16.781) 17.296 42.245 ( -4.092 4.518 -4.869) 7.802 ======================= Grid point 211 (77/245) ======================= q-point: (-0.23 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -15.815 20.461 5.536) 26.447 1.335 ( -10.868 23.709 13.861) 29.535 2.097 ( -33.677 20.772 22.733) 45.633 2.757 ( 1.046 5.519 -0.050) 5.618 2.825 ( -1.169 2.738 1.681) 3.419 3.193 ( -10.644 -6.379 2.557) 12.670 5.364 ( -2.727 -0.846 -5.220) 5.950 5.455 ( -0.325 -3.735 -4.631) 5.958 5.721 ( -14.612 0.879 -1.095) 14.679 5.892 ( -15.775 -1.098 -2.484) 16.007 6.984 ( 0.844 1.518 -1.709) 2.437 7.601 ( 1.011 4.036 -4.129) 5.862 14.879 ( 16.232 2.172 -8.278) 18.350 15.790 ( 35.399 -12.694 1.917) 37.655 17.996 ( 42.358 34.932 -17.590) 57.653 19.161 ( 16.466 -1.799 -16.448) 23.344 19.896 ( 22.448 -0.186 11.074) 25.031 20.747 ( 59.157 6.189 -0.993) 59.488 21.526 ( -10.366 -2.507 -0.968) 10.708 21.806 ( -36.896 -3.911 -2.140) 37.164 22.485 ( -24.296 -13.844 2.818) 28.105 23.179 ( -38.499 -7.777 22.484) 45.257 23.974 ( -57.825 -27.555 -9.604) 64.771 25.381 ( -10.710 0.807 0.955) 10.782 25.743 ( 9.588 2.301 -0.593) 9.878 26.466 ( -14.944 15.291 -12.328) 24.680 28.215 ( 1.494 -19.251 28.181) 34.161 28.856 ( 4.315 -22.043 29.198) 36.838 32.038 ( 1.929 14.675 6.576) 16.197 33.931 ( 27.146 14.987 -15.612) 34.717 36.160 ( 14.944 3.261 -5.897) 16.393 36.507 ( 26.046 -1.053 4.251) 26.412 37.001 ( 1.833 -0.466 1.412) 2.360 38.199 ( -40.265 -10.102 -16.992) 44.856 40.696 ( -0.405 -5.866 16.657) 17.664 42.170 ( -0.133 6.021 -7.723) 9.794 ======================= Grid point 212 (78/245) ======================= q-point: (-0.15 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 20.675 16.404) 26.392 1.134 ( 0.000 21.757 28.637) 35.965 1.474 ( 0.000 33.600 27.780) 43.596 2.734 ( 0.000 7.503 -0.314) 7.509 2.829 ( -0.000 -0.266 -1.580) 1.602 3.122 ( -0.000 -6.849 2.028) 7.143 5.348 ( 0.000 0.281 -7.687) 7.692 5.503 ( -0.000 -2.765 -7.173) 7.688 5.556 ( 0.000 1.076 -1.744) 2.049 5.737 ( -0.000 -0.970 -3.032) 3.184 6.990 ( 0.000 0.710 -1.591) 1.743 7.598 ( 0.000 4.353 -6.609) 7.913 15.034 ( 0.000 7.496 -16.577) 18.194 16.266 ( -0.000 -20.832 4.622) 21.339 18.435 ( 0.000 43.142 -50.877) 66.706 19.388 ( 0.000 1.717 -16.486) 16.575 20.124 ( 0.000 2.458 6.417) 6.872 21.265 ( -0.000 -1.702 -1.839) 2.506 21.478 ( -0.000 -3.839 -1.671) 4.187 21.669 ( -0.000 -26.650 28.598) 39.090 22.218 ( -0.000 -0.278 -3.891) 3.901 22.602 ( 0.000 4.483 3.152) 5.481 23.248 ( -0.000 -24.955 37.023) 44.648 25.264 ( 0.000 1.276 2.260) 2.596 25.848 ( 0.000 0.510 -1.576) 1.656 26.168 ( 0.000 28.161 -11.498) 30.418 28.357 ( -0.000 -23.810 28.732) 37.315 29.062 ( -0.000 -36.485 43.246) 56.581 31.980 ( 0.000 11.563 7.234) 13.640 34.178 ( 0.000 21.455 -33.501) 39.782 36.298 ( 0.000 4.011 -8.464) 9.366 37.012 ( -0.000 -0.256 1.521) 1.542 37.119 ( -0.000 -8.168 -0.857) 8.213 37.435 ( 0.000 0.344 -1.185) 1.234 40.745 ( -0.000 -10.748 17.493) 20.531 42.147 ( 0.000 7.104 -11.941) 13.894 ======================= Grid point 217 (79/245) ======================= q-point: ( 0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -3.643 -0.000 -5.165) 6.321 2.223 ( 6.221 0.000 -7.445) 9.702 3.455 ( 12.296 0.000 -9.145) 15.324 3.684 ( 0.362 0.000 -7.549) 7.558 4.343 ( 0.945 0.000 0.460) 1.051 4.738 ( 6.412 0.000 -8.755) 10.852 6.478 ( 0.835 0.000 -2.091) 2.251 6.496 ( 7.029 0.000 7.070) 9.969 7.359 ( 17.044 0.000 3.675) 17.436 7.817 ( 5.627 0.000 4.356) 7.115 7.910 ( 6.728 0.000 2.765) 7.274 8.216 ( 4.331 0.000 1.686) 4.647 10.477 ( -28.914 -0.000 5.975) 29.525 13.511 ( -4.186 -0.000 -19.244) 19.694 15.502 ( 2.692 0.000 14.876) 15.117 16.981 ( 9.133 0.000 2.993) 9.611 18.166 ( -17.307 -0.000 -14.740) 22.733 19.658 ( -5.608 -0.000 -12.838) 14.010 21.693 ( -1.150 -0.000 23.101) 23.129 23.010 ( 11.649 0.000 7.932) 14.093 23.788 ( -10.986 -0.000 3.394) 11.499 25.335 ( 11.166 0.000 -3.820) 11.801 25.339 ( 2.907 0.000 -3.028) 4.197 25.995 ( -1.300 -0.000 -4.878) 5.048 26.723 ( 2.762 0.000 0.935) 2.916 27.186 ( -4.679 -0.000 2.798) 5.452 27.686 ( 0.743 0.000 3.246) 3.330 28.253 ( -11.257 -0.000 0.252) 11.259 31.944 ( 5.826 0.000 2.820) 6.473 32.442 ( -3.655 -0.000 -1.521) 3.959 34.842 ( -4.625 -0.000 -6.622) 8.078 35.001 ( -0.681 -0.000 -6.409) 6.445 36.303 ( -4.492 -0.000 8.539) 9.649 39.268 ( 0.506 0.000 -20.310) 20.316 40.884 ( -0.468 -0.000 17.137) 17.143 42.570 ( 1.477 0.000 -3.138) 3.468 ======================= Grid point 218 (80/245) ======================= q-point: (-0.69 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 1.838 1.316 -5.589) 6.029 2.336 ( 4.944 -0.501 -8.882) 10.178 3.605 ( -0.868 3.579 -7.781) 8.609 3.644 ( -0.561 -3.110 -7.434) 8.078 4.288 ( -6.477 -0.208 2.006) 6.784 4.771 ( -2.937 -0.049 -11.692) 12.056 6.417 ( -6.443 1.084 -1.499) 6.703 6.515 ( -4.367 -0.190 8.589) 9.638 7.572 ( -0.512 0.318 2.355) 2.430 7.821 ( -3.979 0.788 3.984) 5.686 7.923 ( -5.900 -0.741 2.856) 6.596 8.224 ( -3.055 0.256 1.616) 3.466 10.308 ( 14.623 -0.175 6.261) 15.908 13.493 ( 1.858 -0.985 -20.563) 20.670 15.775 ( 23.954 -0.292 15.832) 28.715 17.174 ( 12.177 12.510 -1.337) 17.509 17.893 ( -12.246 -16.110 -10.294) 22.704 19.498 ( -8.992 4.411 -10.279) 14.352 21.717 ( 3.419 1.139 20.402) 20.718 23.237 ( 10.771 -1.280 8.730) 13.923 23.590 ( -8.862 0.023 2.838) 9.306 25.374 ( 0.923 1.812 -4.771) 5.187 25.469 ( 1.273 -3.018 -2.940) 4.401 25.919 ( -6.276 1.380 -5.927) 8.742 26.784 ( 4.171 -0.678 -1.099) 4.366 27.010 ( -12.314 4.034 2.758) 13.248 27.694 ( -0.581 -1.102 5.652) 5.788 28.100 ( -5.127 -4.009 2.361) 6.923 32.072 ( 8.338 5.111 1.684) 9.924 32.411 ( -0.164 -3.504 -1.602) 3.856 34.820 ( 2.478 0.188 -6.008) 6.501 35.040 ( 4.404 -0.368 -6.402) 7.779 36.265 ( 0.744 -0.219 8.679) 8.714 39.272 ( -0.173 0.035 -20.760) 20.761 40.866 ( -1.304 -0.058 17.446) 17.494 42.578 ( -0.520 0.038 -3.188) 3.231 ======================= Grid point 219 (81/245) ======================= q-point: (-0.62 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( 4.077 1.832 -4.423) 6.289 2.414 ( 2.864 0.720 -9.506) 9.954 3.429 ( -11.266 4.744 -6.769) 13.973 3.638 ( -4.950 -1.051 -5.403) 7.402 4.106 ( -12.167 -1.713 3.423) 12.755 4.631 ( -11.076 0.589 -11.222) 15.779 6.224 ( -12.366 1.185 -1.579) 12.522 6.349 ( -12.519 -0.415 7.117) 14.407 7.375 ( -13.670 3.057 0.340) 14.011 7.633 ( -15.538 1.246 4.090) 16.115 7.698 ( -16.869 -1.192 2.534) 17.099 8.113 ( -7.624 0.636 0.942) 7.709 11.004 ( 51.504 -2.097 5.802) 51.872 13.585 ( 6.642 -2.019 -14.472) 16.051 16.388 ( 38.656 4.697 8.658) 39.891 17.248 ( 8.466 24.904 -3.562) 26.544 17.963 ( 3.408 -32.510 -7.238) 33.480 19.285 ( -9.132 4.526 -6.493) 12.085 21.794 ( 4.770 1.514 17.647) 18.343 23.316 ( -3.863 9.745 5.562) 11.867 23.555 ( 4.772 -10.707 4.438) 12.534 25.296 ( -9.223 5.925 -6.252) 12.620 25.436 ( -6.395 -6.603 -1.885) 9.383 25.734 ( -10.648 3.143 -6.835) 13.038 26.680 ( -17.356 3.905 1.975) 17.899 26.924 ( 8.265 -3.723 -2.961) 9.536 27.673 ( -2.318 -1.921 8.845) 9.343 28.088 ( 0.028 -6.762 5.013) 8.418 32.187 ( 8.399 13.085 1.356) 15.608 32.499 ( 6.065 -8.499 -1.095) 10.499 34.932 ( 8.833 0.127 -4.591) 9.956 35.175 ( 9.171 -0.301 -5.175) 10.534 36.336 ( 6.040 -1.011 7.267) 9.503 39.255 ( -1.800 0.038 -21.251) 21.327 40.833 ( -2.264 -0.409 17.756) 17.905 42.550 ( -2.322 0.278 -3.271) 4.021 ======================= Grid point 220 (82/245) ======================= q-point: (-0.54 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.911 ( 2.687 2.586 -2.423) 4.447 2.425 ( -1.474 2.114 -9.630) 9.969 3.143 ( -13.188 7.932 -4.706) 16.092 3.446 ( -14.341 0.943 -2.554) 14.597 3.857 ( -14.650 -4.153 4.180) 15.791 4.333 ( -18.481 2.715 -6.372) 19.736 5.940 ( -15.425 1.017 -1.758) 15.559 6.054 ( -17.193 -1.056 3.202) 17.520 7.106 ( -13.334 3.246 -0.820) 13.748 7.237 ( -20.950 1.600 3.952) 21.380 7.308 ( -23.119 -1.793 1.182) 23.218 7.939 ( -8.745 1.855 0.372) 8.947 12.185 ( 64.889 -3.233 4.483) 65.124 13.784 ( 12.496 -2.818 -6.660) 14.438 17.095 ( 30.782 18.949 -5.876) 36.622 17.427 ( 31.558 11.863 2.531) 33.809 18.275 ( 8.892 -25.202 -8.962) 28.188 19.138 ( -3.531 -1.775 -0.599) 3.997 21.874 ( 3.679 0.167 14.167) 14.638 23.113 ( -8.986 12.643 4.072) 16.037 23.693 ( -1.368 -12.522 1.852) 12.731 24.912 ( -24.634 8.064 -0.827) 25.933 25.283 ( -15.066 -9.082 -7.245) 19.025 25.529 ( -6.406 3.748 -5.119) 9.016 26.319 ( -18.022 -0.401 1.999) 18.137 27.110 ( 5.128 -6.007 -5.700) 9.740 27.654 ( 1.194 -1.122 12.766) 12.871 28.160 ( 2.572 -8.439 8.049) 11.942 32.251 ( 7.256 16.519 2.453) 18.208 32.738 ( 13.066 -7.868 -0.995) 15.285 35.156 ( 13.991 0.075 -2.909) 14.290 35.399 ( 13.418 -0.393 -3.549) 13.885 36.503 ( 9.760 -1.742 4.955) 11.083 39.188 ( -5.573 -0.431 -21.314) 22.035 40.783 ( -3.269 -0.933 17.710) 18.034 42.485 ( -3.948 0.857 -3.488) 5.338 ======================= Grid point 221 (83/245) ======================= q-point: (-0.46 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -2.156 5.928 -0.664) 6.343 2.290 ( -10.981 6.082 -8.275) 15.034 2.881 ( -7.353 8.324 -1.946) 11.275 3.111 ( -17.839 0.516 0.307) 17.849 3.585 ( -15.816 -3.771 4.540) 16.881 3.881 ( -24.677 6.467 2.018) 25.590 5.644 ( -13.790 -0.438 -2.658) 14.051 5.730 ( -16.011 -2.134 0.336) 16.156 6.651 ( -27.187 2.233 0.709) 27.288 6.797 ( -27.317 -2.084 0.340) 27.399 7.046 ( -3.787 1.847 -0.538) 4.248 7.775 ( -6.139 2.956 -0.510) 6.833 13.486 ( 63.807 -4.593 2.353) 64.015 14.111 ( 19.277 -3.409 -1.626) 19.643 17.417 ( 22.772 22.336 -7.942) 32.872 18.277 ( 48.422 2.979 -4.591) 48.730 18.559 ( 13.355 -5.273 -10.251) 17.642 19.239 ( 11.450 -11.134 7.786) 17.768 21.914 ( -0.993 -1.473 7.908) 8.105 22.826 ( -12.380 13.381 5.025) 18.910 23.512 ( -26.857 -11.083 -6.900) 29.862 24.326 ( -30.936 -0.495 11.219) 32.911 24.976 ( -21.235 -9.286 -12.182) 26.183 25.462 ( 1.765 2.519 -3.073) 4.348 25.980 ( -17.832 -2.632 1.636) 18.099 27.100 ( -9.108 -4.802 -4.382) 11.190 27.784 ( 10.025 -1.134 14.387) 17.572 28.284 ( 4.630 -10.529 11.473) 16.245 32.283 ( 6.252 18.166 4.128) 19.650 33.088 ( 18.816 -4.845 -1.807) 19.514 35.469 ( 18.010 0.325 -1.644) 18.088 35.698 ( 16.724 -0.871 -2.379) 16.915 36.715 ( 10.311 -1.795 2.837) 10.844 39.021 ( -12.861 -2.092 -20.369) 24.180 40.721 ( -3.591 -1.446 16.899) 17.337 42.390 ( -4.798 1.856 -3.991) 6.511 ======================= Grid point 222 (84/245) ======================= q-point: (-0.38 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -10.776 13.362 -0.209) 17.167 1.952 ( -14.943 15.327 -0.433) 21.411 2.725 ( -10.752 1.975 1.501) 11.034 2.830 ( -6.989 -0.028 1.142) 7.082 3.229 ( -21.124 11.243 8.744) 25.477 3.389 ( -18.729 -0.933 5.463) 19.531 5.433 ( -8.520 -3.263 -4.145) 10.021 5.483 ( -10.119 -3.066 -0.897) 10.611 6.127 ( -24.027 1.665 -0.184) 24.085 6.281 ( -25.468 -1.997 -1.188) 25.574 7.006 ( -0.011 1.915 -1.771) 2.608 7.674 ( -2.434 3.104 -1.992) 4.419 14.466 ( 25.218 -2.170 -2.314) 25.417 14.750 ( 49.480 -8.297 1.348) 50.189 17.798 ( 30.695 24.974 -10.719) 40.997 18.752 ( 13.444 -8.590 -17.721) 23.845 19.270 ( 39.398 0.009 7.132) 40.038 19.780 ( 44.806 2.276 4.866) 45.127 21.795 ( -12.931 -0.619 -1.133) 12.995 22.475 ( -21.162 6.291 3.185) 22.306 22.847 ( -38.880 -7.637 -5.194) 39.962 23.716 ( -36.276 -12.211 21.154) 43.733 24.518 ( -34.269 -13.271 -15.750) 39.982 25.564 ( 7.711 2.940 -2.061) 8.506 25.662 ( -14.120 -2.208 1.809) 14.405 26.872 ( -14.291 -0.274 -1.441) 14.366 27.966 ( 6.136 -2.850 18.275) 19.487 28.467 ( 7.088 -12.151 14.189) 19.980 32.281 ( 4.559 19.223 5.435) 20.490 33.522 ( 23.246 -2.201 -4.289) 23.740 35.844 ( 20.518 1.904 -2.174) 20.721 36.055 ( 19.017 -1.767 -1.069) 19.129 36.900 ( 7.146 -1.196 1.560) 7.412 38.684 ( -24.498 -5.085 -17.949) 30.792 40.668 ( -2.575 -1.897 15.350) 15.680 42.288 ( -3.750 2.977 -5.061) 6.966 ======================= Grid point 223 (85/245) ======================= q-point: (-0.31 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -12.293 21.214 3.497) 24.766 1.610 ( -7.676 23.310 11.588) 27.140 2.320 ( -24.292 15.628 13.129) 31.729 2.777 ( -1.913 -0.334 4.368) 4.780 2.892 ( -2.454 7.142 2.988) 8.122 3.122 ( -11.873 -4.755 2.905) 13.115 5.343 ( -3.217 -3.385 -5.582) 7.278 5.392 ( -1.804 -6.119 -2.441) 6.830 5.733 ( -14.625 1.245 -1.236) 14.730 5.876 ( -15.777 -1.599 -2.372) 16.034 7.005 ( 0.801 1.959 -2.166) 3.029 7.639 ( 0.206 2.491 -3.705) 4.469 14.877 ( 16.404 -1.937 -5.910) 17.543 15.645 ( 32.059 -12.009 -1.211) 34.256 18.356 ( 42.387 26.815 -20.917) 54.344 19.133 ( 20.134 -2.974 -16.827) 26.408 19.895 ( 27.378 0.015 12.650) 30.159 20.825 ( 53.533 7.015 -2.432) 54.046 21.489 ( -14.485 -4.049 -1.003) 15.074 21.761 ( -38.114 -3.366 -3.922) 38.463 22.306 ( -34.270 -15.992 3.212) 37.954 23.111 ( -25.559 -3.805 30.577) 40.033 23.732 ( -54.680 -15.497 -11.537) 57.993 25.390 ( -9.924 0.734 1.378) 10.046 25.763 ( 8.864 1.253 -1.340) 9.052 26.595 ( -10.806 6.995 -0.295) 12.876 28.056 ( 0.922 -6.975 26.711) 27.622 28.669 ( 5.338 -12.667 16.662) 21.600 32.237 ( 2.316 19.111 6.125) 20.202 33.992 ( 21.767 -2.734 -10.199) 24.192 36.203 ( 15.901 4.010 -7.099) 17.869 36.491 ( 26.466 -1.552 2.093) 26.594 36.995 ( 2.128 -0.549 1.264) 2.535 38.103 ( -38.446 -6.514 -12.862) 41.060 40.647 ( -0.916 -2.794 14.074) 14.378 42.223 ( -0.855 3.338 -7.184) 7.968 ======================= Grid point 224 (86/245) ======================= q-point: (-0.23 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.000 23.410 10.461) 25.641 1.407 ( 0.000 24.699 21.795) 32.940 1.858 ( 0.000 30.986 18.545) 36.112 2.770 ( -0.000 -2.640 4.014) 4.804 2.869 ( 0.000 9.252 -1.838) 9.433 3.023 ( -0.000 -10.150 2.825) 10.536 5.334 ( -0.000 -2.552 -6.686) 7.157 5.438 ( -0.000 -7.780 -4.634) 9.056 5.570 ( 0.000 1.439 -1.930) 2.407 5.724 ( -0.000 -1.329 -2.975) 3.258 7.004 ( 0.000 1.706 -2.071) 2.683 7.634 ( 0.000 2.156 -5.140) 5.574 15.066 ( -0.000 -1.041 -12.052) 12.097 16.055 ( -0.000 -15.899 -0.491) 15.907 18.838 ( 0.000 27.188 -47.882) 55.062 19.407 ( 0.000 1.468 -17.265) 17.327 20.159 ( 0.000 3.381 6.146) 7.014 21.233 ( -0.000 -3.897 -2.230) 4.490 21.384 ( -0.000 -21.764 33.269) 39.755 21.437 ( -0.000 -3.013 -1.570) 3.397 22.213 ( -0.000 -0.503 -2.964) 3.006 22.628 ( 0.000 0.052 -2.474) 2.474 23.061 ( -0.000 -8.968 32.876) 34.078 25.281 ( 0.000 1.526 2.169) 2.652 25.855 ( 0.000 0.608 -1.867) 1.963 26.415 ( 0.000 14.758 -3.008) 15.062 28.119 ( -0.000 -13.990 34.123) 36.880 28.802 ( -0.000 -14.564 21.099) 25.638 32.152 ( 0.000 17.542 6.401) 18.673 34.269 ( -0.000 -2.688 -18.732) 18.924 36.346 ( 0.000 4.049 -10.022) 10.809 37.008 ( -0.000 -0.301 1.536) 1.565 37.042 ( -0.000 -5.187 -3.396) 6.200 37.439 ( 0.000 0.407 -1.224) 1.290 40.661 ( -0.000 -4.576 14.427) 15.136 42.204 ( 0.000 3.278 -9.584) 10.129 ======================= Grid point 231 (87/245) ======================= q-point: (-0.69 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 3.979 0.000 -4.421) 5.948 2.417 ( 3.145 0.000 -9.715) 10.212 3.459 ( -10.929 -0.000 -6.650) 12.794 3.629 ( -4.328 -0.000 -5.412) 6.929 4.096 ( -12.645 -0.000 3.652) 13.161 4.634 ( -10.825 -0.000 -11.613) 15.876 6.231 ( -12.481 -0.000 -1.713) 12.598 6.346 ( -12.582 -0.000 7.420) 14.607 7.393 ( -13.647 -0.000 0.286) 13.650 7.642 ( -15.221 -0.000 4.000) 15.737 7.689 ( -17.197 -0.000 2.710) 17.410 8.117 ( -7.475 -0.000 0.848) 7.522 10.992 ( 51.376 0.000 5.781) 51.700 13.573 ( 6.601 0.000 -14.498) 15.930 16.414 ( 40.054 0.000 7.592) 40.767 17.530 ( 17.658 0.000 -1.016) 17.687 17.638 ( -5.631 -0.000 -7.919) 9.717 19.313 ( -10.459 -0.000 -7.180) 12.686 21.803 ( 4.433 0.000 17.657) 18.205 23.422 ( -8.024 -0.000 1.969) 8.262 23.442 ( 9.345 0.000 7.938) 12.261 25.356 ( -4.359 -0.000 -6.249) 7.619 25.371 ( -10.958 -0.000 -2.324) 11.201 25.753 ( -10.568 -0.000 -7.097) 12.730 26.708 ( -18.922 -0.000 2.290) 19.060 26.899 ( 7.877 0.000 -3.011) 8.433 27.660 ( -2.119 -0.000 9.240) 9.480 28.048 ( 0.483 0.000 5.206) 5.229 32.295 ( 12.469 0.000 0.495) 12.479 32.419 ( 2.460 0.000 -0.434) 2.498 34.933 ( 8.808 0.000 -4.560) 9.918 35.173 ( 9.191 0.000 -5.090) 10.506 36.330 ( 5.911 0.000 7.260) 9.362 39.255 ( -1.844 -0.000 -21.298) 21.378 40.831 ( -2.342 -0.000 17.782) 17.935 42.551 ( -2.247 -0.000 -3.281) 3.977 ======================= Grid point 233 (88/245) ======================= q-point: (-0.62 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 3.123 1.073 -2.519) 4.153 2.441 ( -1.122 0.615 -9.868) 9.951 3.211 ( -12.804 3.270 -4.397) 13.927 3.453 ( -13.552 0.277 -3.145) 13.914 3.821 ( -15.293 -1.791 5.195) 16.250 4.354 ( -17.598 0.851 -7.557) 19.171 5.948 ( -15.811 0.445 -1.862) 15.926 6.045 ( -17.399 -0.360 4.008) 17.858 7.133 ( -13.782 1.301 -0.361) 13.848 7.258 ( -21.058 1.907 3.146) 21.377 7.285 ( -23.333 -2.112 1.756) 23.494 7.954 ( -8.409 0.647 0.077) 8.434 12.159 ( 64.794 -1.128 4.556) 64.964 13.760 ( 12.566 -1.061 -6.489) 14.183 17.250 ( 42.084 6.729 -7.778) 43.323 17.594 ( 14.678 15.373 -3.806) 21.593 17.991 ( 18.924 -20.573 1.055) 27.973 19.129 ( -7.116 -0.172 -2.387) 7.508 21.876 ( 2.895 0.127 14.231) 14.523 23.240 ( -8.606 7.643 1.767) 11.645 23.567 ( -1.367 -7.655 4.057) 8.770 24.993 ( -26.050 4.876 0.964) 26.520 25.195 ( -14.257 -5.110 -9.929) 18.110 25.558 ( -7.465 1.228 -6.088) 9.711 26.320 ( -19.624 0.195 1.989) 19.726 27.054 ( 4.824 -2.838 -3.394) 6.545 27.648 ( 2.353 -0.198 13.534) 13.738 28.094 ( 2.951 -2.857 7.009) 8.123 32.436 ( 7.267 14.181 1.512) 16.006 32.624 ( 13.859 -11.047 -0.380) 17.727 35.157 ( 14.022 0.073 -2.843) 14.308 35.394 ( 13.250 -0.266 -3.310) 13.660 36.489 ( 9.780 -0.621 4.873) 10.945 39.185 ( -5.912 -0.156 -21.328) 22.132 40.775 ( -3.355 -0.308 17.690) 18.008 42.492 ( -3.740 0.294 -3.532) 5.152 ======================= Grid point 234 (89/245) ======================= q-point: (-0.54 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.957 ( 0.184 3.661 -1.097) 3.826 2.344 ( -8.045 3.139 -8.027) 11.790 2.957 ( -10.102 4.480 -1.134) 11.109 3.121 ( -18.752 1.049 -0.592) 18.791 3.543 ( -14.190 -2.890 5.185) 15.381 3.940 ( -23.174 3.573 0.279) 23.450 5.636 ( -15.388 -0.612 -2.000) 15.530 5.713 ( -16.011 -0.849 1.003) 16.065 6.677 ( -27.354 2.181 1.141) 27.464 6.771 ( -27.699 -2.180 0.468) 27.789 7.064 ( -3.784 1.121 -0.787) 4.025 7.802 ( -6.157 1.546 -0.847) 6.404 13.443 ( 63.553 -2.586 2.757) 63.665 14.079 ( 19.032 -1.971 -1.235) 19.173 17.677 ( 22.786 22.418 -11.471) 33.961 18.170 ( 25.720 -17.704 -16.970) 35.538 18.605 ( 42.294 9.033 6.220) 43.693 19.120 ( 7.653 -8.980 6.573) 13.506 21.902 ( -1.128 -0.672 8.241) 8.345 22.973 ( -13.633 11.278 2.255) 17.836 23.384 ( -24.477 -10.301 -4.063) 26.865 24.332 ( -37.749 1.147 11.336) 39.431 24.880 ( -21.577 -6.584 -13.997) 26.549 25.485 ( 1.402 1.290 -3.805) 4.255 25.957 ( -17.794 -1.235 1.654) 17.913 27.045 ( -7.561 -3.899 1.968) 8.732 27.791 ( 11.426 1.599 13.144) 17.489 28.188 ( 4.123 -5.956 8.892) 11.469 32.486 ( 6.621 15.627 3.693) 17.369 33.004 ( 18.987 -8.628 -1.449) 20.906 35.474 ( 18.451 0.364 -1.570) 18.521 35.688 ( 16.303 -0.813 -2.170) 16.467 36.699 ( 10.636 -0.975 2.655) 11.006 39.002 ( -13.766 -1.125 -19.952) 24.266 40.709 ( -3.568 -0.660 16.549) 16.942 42.406 ( -4.509 0.928 -4.084) 6.154 ======================= Grid point 235 (90/245) ======================= q-point: (-0.46 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -5.911 11.042 -0.846) 12.553 2.107 ( -10.593 10.812 -1.225) 15.186 2.725 ( -15.701 -0.699 2.517) 15.917 2.823 ( -7.645 -1.958 1.208) 7.984 3.300 ( -11.449 2.122 3.493) 12.156 3.432 ( -24.123 6.932 8.881) 26.624 5.385 ( -11.083 -4.194 -2.444) 12.099 5.460 ( -9.989 -1.259 -0.922) 10.111 6.148 ( -24.261 1.967 -0.121) 24.341 6.255 ( -25.355 -2.339 -1.013) 25.483 7.026 ( -0.009 1.476 -2.030) 2.510 7.703 ( -2.952 1.849 -2.128) 4.082 14.452 ( 25.211 -0.152 -1.020) 25.233 14.655 ( 48.186 -7.715 0.782) 48.806 18.067 ( 30.220 21.295 -14.256) 39.623 18.635 ( 17.216 -11.694 -18.646) 27.943 19.273 ( 29.860 0.549 12.661) 32.438 19.804 ( 55.385 1.723 2.699) 55.478 21.788 ( -12.651 -0.558 -1.438) 12.745 22.547 ( -28.403 6.107 -0.261) 29.053 22.761 ( -38.459 -6.987 -5.268) 39.442 23.603 ( -36.422 -7.244 25.501) 45.048 24.386 ( -34.971 -9.186 -16.382) 39.695 25.590 ( 7.861 1.555 -2.137) 8.293 25.643 ( -13.752 -1.221 1.766) 13.918 26.856 ( -12.083 -1.826 7.264) 14.216 27.980 ( 7.973 4.432 14.039) 16.742 28.339 ( 6.668 -10.175 10.654) 16.171 32.504 ( 5.162 18.358 5.333) 19.801 33.453 ( 21.303 -8.671 -3.249) 23.228 35.869 ( 22.323 2.169 -1.985) 22.516 36.032 ( 18.142 -2.038 -1.563) 18.323 36.889 ( 7.583 -0.811 1.372) 7.748 38.637 ( -25.357 -3.037 -16.594) 30.456 40.652 ( -2.482 -0.891 14.347) 14.587 42.315 ( -3.733 1.645 -5.088) 6.522 ======================= Grid point 236 (91/245) ======================= q-point: (-0.38 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -9.150 20.028 1.931) 22.104 1.866 ( -4.401 20.336 8.784) 22.585 2.415 ( -16.408 0.699 4.759) 17.098 2.766 ( -1.488 -3.859 5.110) 6.574 2.963 ( -13.390 6.782 11.764) 19.070 3.120 ( -7.714 4.442 0.874) 8.945 5.269 ( -4.591 -8.225 -3.188) 9.945 5.345 ( -3.009 -2.429 -2.543) 4.628 5.749 ( -14.656 1.540 -1.420) 14.804 5.856 ( -15.591 -1.875 -2.286) 15.869 7.028 ( 0.795 1.791 -2.539) 3.207 7.661 ( -0.583 1.387 -3.412) 3.729 14.847 ( 15.187 -2.908 -2.961) 15.744 15.518 ( 30.760 -9.690 -3.976) 32.495 18.619 ( 38.414 18.804 -21.400) 47.824 19.092 ( 24.117 -4.187 -16.851) 29.717 19.896 ( 31.495 0.112 13.979) 34.457 20.906 ( 49.685 6.769 -2.952) 50.231 21.429 ( -20.903 -6.257 -1.390) 21.864 21.740 ( -37.089 0.023 -5.731) 37.529 22.134 ( -37.988 -13.169 4.965) 40.511 23.086 ( -17.207 -0.707 32.811) 37.056 23.591 ( -51.337 -9.314 -13.354) 53.857 25.398 ( -9.110 0.605 1.692) 9.286 25.774 ( 8.409 0.692 -1.714) 8.610 26.640 ( -9.071 1.477 9.432) 13.169 28.046 ( 2.166 4.296 18.504) 19.119 28.532 ( 5.488 -11.482 11.998) 17.490 32.469 ( 2.705 20.282 6.152) 21.366 33.901 ( 17.054 -11.626 -6.324) 21.587 36.249 ( 15.603 3.871 -6.371) 17.292 36.471 ( 27.663 -1.884 -0.232) 27.728 36.989 ( 2.353 -0.484 1.186) 2.679 38.045 ( -36.623 -3.687 -10.947) 38.401 40.625 ( -0.970 -1.237 12.362) 12.462 42.252 ( -1.498 1.788 -6.628) 7.027 ======================= Grid point 237 (92/245) ======================= q-point: (-0.31 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 0.000 23.139 6.754) 24.104 1.696 ( 0.000 24.916 16.674) 29.980 2.149 ( 0.000 16.801 8.426) 18.795 2.749 ( 0.000 1.625 11.307) 11.423 2.887 ( -0.000 -13.284 3.920) 13.850 2.990 ( 0.000 10.536 -1.654) 10.665 5.278 ( -0.000 -7.893 -5.094) 9.394 5.351 ( -0.000 -5.648 -2.759) 6.286 5.588 ( 0.000 1.633 -2.150) 2.699 5.707 ( -0.000 -1.546 -2.889) 3.276 7.026 ( 0.000 1.921 -2.532) 3.179 7.652 ( 0.000 1.048 -4.209) 4.338 15.030 ( -0.000 -4.398 -6.617) 7.946 15.892 ( -0.000 -12.212 -5.364) 13.338 19.087 ( 0.000 16.403 -40.228) 43.444 19.421 ( 0.000 0.979 -17.978) 18.005 20.201 ( 0.000 3.751 5.866) 6.963 21.170 ( -0.000 -15.149 32.388) 35.756 21.176 ( -0.000 -5.596 -2.692) 6.210 21.412 ( -0.000 -1.320 -1.304) 1.856 22.207 ( -0.000 -0.613 -2.115) 2.202 22.614 ( -0.000 -1.865 -9.806) 9.981 23.004 ( -0.000 -2.038 32.260) 32.325 25.298 ( 0.000 1.423 2.098) 2.535 25.862 ( 0.000 0.565 -2.186) 2.257 26.525 ( 0.000 4.999 7.477) 8.994 28.046 ( 0.000 0.648 24.182) 24.191 28.656 ( -0.000 -11.599 13.697) 17.948 32.376 ( 0.000 20.539 6.310) 21.486 34.167 ( -0.000 -13.407 -10.035) 16.746 36.389 ( 0.000 3.276 -8.513) 9.122 36.995 ( -0.000 -3.114 -6.647) 7.340 37.005 ( -0.000 -0.277 1.551) 1.576 37.444 ( 0.000 0.377 -1.263) 1.318 40.625 ( -0.000 -1.945 12.091) 12.247 42.231 ( 0.000 1.669 -7.996) 8.168 ======================= Grid point 246 (93/245) ======================= q-point: (-0.62 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 1.078 0.000 -1.237) 1.641 2.362 ( -7.009 -0.000 -8.011) 10.644 2.983 ( -11.470 -0.000 -0.383) 11.476 3.129 ( -19.074 -0.000 -1.499) 19.133 3.525 ( -13.383 -0.000 5.664) 14.533 3.961 ( -22.518 -0.000 -0.453) 22.522 5.632 ( -16.070 -0.000 -1.424) 16.133 5.708 ( -15.980 -0.000 0.944) 16.008 6.693 ( -27.334 -0.000 1.468) 27.374 6.755 ( -27.916 -0.000 0.339) 27.918 7.070 ( -3.788 -0.000 -0.868) 3.886 7.811 ( -6.174 -0.000 -0.967) 6.249 13.428 ( 63.485 0.000 2.912) 63.552 14.068 ( 18.897 0.000 -1.125) 18.931 17.924 ( 20.066 0.000 -13.526) 24.199 17.946 ( 24.614 0.000 -16.353) 29.551 18.672 ( 52.724 0.000 8.552) 53.413 19.058 ( 1.878 0.000 5.464) 5.777 21.898 ( -1.199 -0.000 8.394) 8.479 23.053 ( -13.766 -0.000 0.213) 13.767 23.309 ( -23.960 -0.000 -1.886) 24.034 24.341 ( -40.495 -0.000 11.490) 42.093 24.839 ( -21.334 -0.000 -14.918) 26.033 25.492 ( 1.237 0.000 -3.991) 4.178 25.950 ( -17.810 -0.000 1.698) 17.891 27.021 ( -6.804 -0.000 4.128) 7.958 27.804 ( 12.415 0.000 12.779) 17.817 28.152 ( 3.493 0.000 7.845) 8.587 32.595 ( 5.701 0.000 3.831) 6.869 32.936 ( 19.976 0.000 -1.585) 20.039 35.476 ( 18.642 0.000 -1.536) 18.705 35.682 ( 16.149 0.000 -2.101) 16.285 36.693 ( 10.753 0.000 2.591) 11.061 38.996 ( -14.065 -0.000 -19.806) 24.293 40.705 ( -3.546 -0.000 16.421) 16.799 42.411 ( -4.424 -0.000 -4.111) 6.039 ======================= Grid point 248 (94/245) ======================= q-point: (-0.54 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( -1.781 4.760 -1.346) 5.258 2.191 ( -8.460 3.504 -2.257) 9.431 2.733 ( -17.271 2.502 2.844) 17.681 2.782 ( -12.046 -4.554 2.717) 13.161 3.316 ( -8.138 0.810 2.813) 8.649 3.496 ( -23.334 3.077 7.926) 24.835 5.349 ( -12.699 -1.709 -0.792) 12.838 5.450 ( -10.128 -0.449 -1.416) 10.236 6.169 ( -24.507 1.369 0.038) 24.546 6.230 ( -25.157 -1.530 -1.044) 25.225 7.038 ( -0.018 0.554 -2.168) 2.238 7.717 ( -3.269 0.610 -2.211) 3.993 14.460 ( 21.953 1.093 0.269) 21.982 14.583 ( 50.595 -4.002 -0.117) 50.754 18.292 ( 27.186 17.504 -17.417) 36.726 18.482 ( 22.661 -14.435 -17.482) 32.055 19.279 ( 23.575 0.360 15.723) 28.339 19.818 ( 61.345 0.615 1.291) 61.362 21.783 ( -12.761 -0.256 -1.685) 12.874 22.615 ( -35.933 5.453 -4.097) 36.575 22.687 ( -34.828 -5.683 -3.095) 35.424 23.548 ( -36.133 -2.358 27.467) 45.449 24.312 ( -34.619 -3.319 -16.590) 38.532 25.601 ( 8.600 0.465 -2.025) 8.847 25.633 ( -14.247 -0.387 1.777) 14.363 26.839 ( -10.880 -0.849 11.105) 15.570 28.045 ( 11.233 5.069 11.875) 17.114 28.237 ( 4.178 -6.451 8.900) 11.759 32.675 ( 5.176 9.170 5.659) 11.954 33.356 ( 20.264 -6.038 -3.004) 21.357 35.889 ( 24.028 1.128 -1.560) 24.105 36.013 ( 17.024 -1.073 -2.094) 17.186 36.882 ( 7.810 -0.286 1.284) 7.920 38.613 ( -25.667 -1.001 -15.973) 30.248 40.646 ( -2.406 -0.255 13.846) 14.056 42.327 ( -3.772 0.523 -5.077) 6.346 ======================= Grid point 249 (95/245) ======================= q-point: (-0.46 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -5.714 16.688 -0.005) 17.639 2.053 ( -0.933 9.487 5.028) 10.778 2.394 ( -15.710 -0.462 5.304) 16.588 2.665 ( -4.815 -11.800 5.247) 13.783 3.063 ( -15.798 8.329 14.316) 22.889 3.182 ( -4.404 4.632 0.113) 6.393 5.182 ( -6.242 -5.860 -0.824) 8.601 5.323 ( -3.593 -1.343 -3.050) 4.901 5.767 ( -14.780 1.475 -1.575) 14.937 5.834 ( -15.276 -1.675 -2.214) 15.527 7.045 ( 0.801 1.069 -2.776) 3.081 7.672 ( -1.092 0.615 -3.298) 3.529 14.818 ( 13.792 -1.854 -0.686) 13.933 15.428 ( 30.542 -5.523 -5.939) 31.600 18.798 ( 33.287 12.055 -21.748) 41.549 19.037 ( 28.391 -5.210 -16.165) 33.083 19.897 ( 34.312 0.074 14.939) 37.423 20.977 ( 49.887 5.007 -2.413) 50.195 21.355 ( -28.298 -5.686 -2.731) 28.992 21.760 ( -35.650 2.969 -7.516) 36.554 22.005 ( -38.760 -8.826 6.720) 40.316 23.086 ( -12.843 0.393 33.609) 35.981 23.509 ( -49.481 -4.812 -14.677) 51.835 25.403 ( -8.543 0.347 1.906) 8.760 25.779 ( 8.217 0.299 -1.853) 8.429 26.644 ( -8.441 -0.230 14.540) 16.814 28.133 ( 3.469 9.856 12.897) 16.599 28.398 ( 5.109 -11.775 10.318) 16.469 32.685 ( 2.970 15.436 6.581) 17.041 33.756 ( 14.237 -11.651 -4.635) 18.972 36.289 ( 13.921 2.687 -4.540) 14.887 36.450 ( 29.803 -1.605 -2.600) 29.959 36.985 ( 2.496 -0.282 1.158) 2.766 38.014 ( -35.434 -1.645 -10.113) 36.886 40.616 ( -0.957 -0.462 11.446) 11.495 42.267 ( -1.869 0.790 -6.284) 6.603 ======================= Grid point 250 (96/245) ======================= q-point: (-0.38 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 0.000 21.483 3.840) 21.823 1.978 ( 0.000 23.419 12.911) 26.742 2.212 ( -0.000 -4.856 1.904) 5.216 2.716 ( -0.000 -16.013 5.294) 16.865 2.835 ( 0.000 11.359 16.608) 20.121 3.100 ( 0.000 7.936 -1.244) 8.033 5.170 ( -0.000 -9.199 -1.756) 9.365 5.307 ( -0.000 -2.621 -3.460) 4.341 5.607 ( 0.000 1.586 -2.380) 2.860 5.689 ( -0.000 -1.534 -2.766) 3.163 7.046 ( 0.000 1.489 -2.864) 3.228 7.660 ( 0.000 0.472 -3.814) 3.843 14.979 ( -0.000 -4.048 -2.572) 4.796 15.774 ( -0.000 -7.983 -8.791) 11.875 19.231 ( 0.000 8.879 -33.838) 34.983 19.430 ( 0.000 0.514 -18.411) 18.419 20.242 ( 0.000 3.137 5.656) 6.467 21.031 ( -0.000 -8.855 30.272) 31.541 21.112 ( -0.000 -4.928 -2.997) 5.768 21.403 ( -0.000 -0.371 -1.114) 1.174 22.200 ( -0.000 -0.505 -1.495) 1.578 22.593 ( -0.000 -1.467 -15.644) 15.713 22.994 ( -0.000 -0.198 33.028) 33.029 25.313 ( 0.000 1.001 2.060) 2.290 25.868 ( 0.000 0.396 -2.458) 2.489 26.553 ( 0.000 0.588 14.562) 14.574 28.108 ( 0.000 8.820 15.672) 17.984 28.521 ( -0.000 -11.863 11.110) 16.253 32.612 ( 0.000 19.173 6.645) 20.292 33.989 ( -0.000 -15.776 -6.097) 16.913 36.421 ( 0.000 2.105 -6.114) 6.466 36.968 ( -0.000 -1.699 -9.361) 9.514 37.002 ( -0.000 -0.192 1.564) 1.575 37.448 ( 0.000 0.263 -1.296) 1.322 40.610 ( -0.000 -0.788 10.771) 10.800 42.245 ( 0.000 0.834 -7.122) 7.170 ======================= Grid point 261 (97/245) ======================= q-point: (-0.54 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -1.353 -0.000 -3.238) 3.509 2.074 ( -4.203 -0.000 4.940) 6.486 2.432 ( -12.771 -0.000 6.258) 14.222 2.557 ( -8.475 -0.000 7.051) 11.025 3.116 ( -15.026 -0.000 13.936) 20.494 3.210 ( -3.690 -0.000 -0.075) 3.691 5.146 ( -6.972 -0.000 0.030) 6.972 5.315 ( -3.786 -0.000 -3.169) 4.937 5.778 ( -14.927 -0.000 -1.629) 15.015 5.823 ( -15.049 -0.000 -2.191) 15.207 7.051 ( 0.805 0.000 -2.857) 2.968 7.676 ( -1.265 -0.000 -3.276) 3.512 14.807 ( 13.179 0.000 0.178) 13.181 15.395 ( 30.598 0.000 -6.671) 31.317 18.883 ( 28.477 0.000 -23.878) 37.164 18.991 ( 32.782 0.000 -13.851) 35.589 19.898 ( 35.335 0.000 15.304) 38.507 21.009 ( 52.563 0.000 -1.741) 52.592 21.317 ( -33.327 -0.000 -3.744) 33.536 21.786 ( -34.941 -0.000 -9.882) 36.311 21.946 ( -39.125 -0.000 9.058) 40.160 23.090 ( -11.374 -0.000 34.015) 35.867 23.481 ( -49.011 -0.000 -15.320) 51.350 25.405 ( -8.343 -0.000 1.983) 8.576 25.781 ( 8.172 0.000 -1.880) 8.386 26.642 ( -8.294 -0.000 15.979) 18.003 28.259 ( 7.176 0.000 12.074) 14.045 28.262 ( 1.706 0.000 8.945) 9.106 32.784 ( 3.001 0.000 7.020) 7.635 33.678 ( 13.383 0.000 -4.425) 14.096 36.306 ( 12.420 0.000 -3.328) 12.858 36.439 ( 31.440 0.000 -3.918) 31.683 36.983 ( 2.545 0.000 1.153) 2.794 38.005 ( -35.032 -0.000 -9.877) 36.397 40.613 ( -0.949 -0.000 11.160) 11.201 42.271 ( -1.987 -0.000 -6.170) 6.482 ======================= Grid point 263 (98/245) ======================= q-point: (-0.46 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 17.507 -0.187) 17.508 2.093 ( -0.000 -13.292 4.200) 13.939 2.228 ( 0.000 18.081 10.345) 20.831 2.525 ( -0.000 -15.546 6.751) 16.949 2.947 ( 0.000 5.859 16.253) 17.277 3.164 ( 0.000 2.947 -1.007) 3.114 5.089 ( -0.000 -3.879 -0.084) 3.880 5.286 ( -0.000 -0.944 -3.630) 3.751 5.623 ( 0.000 0.883 -2.591) 2.737 5.674 ( -0.000 -0.866 -2.614) 2.754 7.059 ( 0.000 0.562 -3.034) 3.086 7.664 ( 0.000 0.133 -3.693) 3.695 14.945 ( -0.000 -1.577 -0.474) 1.647 15.711 ( -0.000 -2.807 -10.519) 10.887 19.298 ( 0.000 2.845 -30.547) 30.680 19.433 ( 0.000 0.133 -18.457) 18.458 20.269 ( 0.000 1.264 5.558) 5.700 20.963 ( -0.000 -2.913 28.878) 29.025 21.071 ( -0.000 -1.971 -3.144) 3.710 21.401 ( -0.000 -0.059 -1.028) 1.030 22.196 ( -0.000 -0.195 -1.173) 1.189 22.582 ( -0.000 -0.499 -18.785) 18.791 22.994 ( 0.000 0.034 33.686) 33.686 25.321 ( 0.000 0.360 2.045) 2.077 25.871 ( 0.000 0.142 -2.614) 2.618 26.553 ( -0.000 -0.176 17.575) 17.576 28.229 ( 0.000 11.291 11.073) 15.814 28.382 ( -0.000 -11.781 10.892) 16.044 32.787 ( 0.000 9.052 7.282) 11.618 33.839 ( -0.000 -8.026 -5.010) 9.462 36.437 ( 0.000 0.726 -4.475) 4.534 36.955 ( -0.000 -0.547 -10.916) 10.929 37.001 ( -0.000 -0.069 1.570) 1.572 37.450 ( 0.000 0.094 -1.314) 1.318 40.605 ( -0.000 -0.211 10.189) 10.191 42.251 ( 0.000 0.258 -6.737) 6.742 ======================= Grid point 350 (99/245) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 0.000 23.311) 23.311 1.615 ( 0.000 0.000 36.404) 36.404 1.798 ( 0.000 0.000 37.470) 37.470 2.672 ( 0.000 0.000 -4.341) 4.341 2.855 ( 0.000 0.000 14.137) 14.137 3.230 ( 0.000 0.000 0.977) 0.977 5.191 ( 0.000 0.000 -4.807) 4.807 5.371 ( 0.000 0.000 -6.877) 6.877 5.500 ( 0.000 0.000 -2.519) 2.519 5.663 ( 0.000 0.000 -5.251) 5.251 6.931 ( 0.000 0.000 -3.659) 3.659 7.372 ( 0.000 0.000 -6.839) 6.839 14.778 ( 0.000 0.000 3.010) 3.010 16.498 ( 0.000 0.000 -22.896) 22.896 17.421 ( 0.000 0.000 6.409) 6.409 18.976 ( 0.000 0.000 -21.290) 21.290 20.288 ( 0.000 0.000 12.239) 12.239 21.236 ( 0.000 0.000 -2.510) 2.510 21.494 ( 0.000 0.000 -2.204) 2.204 22.072 ( 0.000 0.000 -9.700) 9.700 22.323 ( 0.000 0.000 11.823) 11.823 22.633 ( 0.000 0.000 8.286) 8.286 24.389 ( 0.000 0.000 21.323) 21.323 25.317 ( 0.000 0.000 4.379) 4.379 25.560 ( 0.000 0.000 4.090) 4.090 25.802 ( 0.000 0.000 -2.634) 2.634 28.782 ( 0.000 0.000 11.408) 11.408 30.457 ( 0.000 0.000 -10.296) 10.296 32.221 ( 0.000 0.000 11.505) 11.505 32.963 ( 0.000 0.000 0.465) 0.465 36.250 ( 0.000 0.000 0.988) 0.988 37.058 ( 0.000 0.000 2.754) 2.754 37.128 ( 0.000 0.000 -10.458) 10.458 37.396 ( 0.000 0.000 -2.209) 2.209 41.186 ( 0.000 0.000 4.126) 4.126 41.800 ( 0.000 0.000 -5.137) 5.137 ======================= Grid point 351 (100/245) ======================= q-point: ( 0.08 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 7.161 1.948 21.816) 23.044 1.322 ( -4.058 -10.619 28.603) 30.780 2.375 ( 30.266 -2.324 23.257) 38.240 2.671 ( 3.264 -1.528 3.239) 4.846 2.860 ( 0.553 -1.923 11.156) 11.334 3.324 ( 9.166 1.077 1.051) 9.289 5.248 ( 5.770 -0.115 -6.247) 8.505 5.354 ( 0.113 -0.390 -5.993) 6.007 5.676 ( 15.930 -0.158 -1.975) 16.052 5.835 ( 16.850 0.066 -4.022) 17.324 6.925 ( -0.293 -0.059 -2.704) 2.720 7.399 ( 2.245 -1.838 -6.073) 6.730 14.703 ( -8.415 -1.416 0.491) 8.547 15.956 ( -45.776 3.693 -12.754) 47.662 17.323 ( -11.923 -6.961 6.831) 15.404 18.843 ( -11.699 0.552 -18.428) 21.835 20.050 ( -19.217 -0.628 8.005) 20.828 20.693 ( -63.637 -0.605 1.564) 63.659 21.557 ( 6.099 0.922 -0.056) 6.169 21.818 ( 31.658 1.254 -3.894) 31.921 22.868 ( 16.475 6.270 9.862) 20.199 23.339 ( 51.058 -3.098 -0.330) 51.153 24.667 ( 24.418 16.319 3.272) 29.551 25.336 ( 1.924 -5.174 1.235) 5.656 25.688 ( 7.103 -3.318 4.881) 9.235 25.862 ( 9.460 -8.168 -2.690) 12.784 28.695 ( -7.983 2.044 11.180) 13.889 30.180 ( -19.546 17.519 -1.014) 26.268 32.146 ( -4.225 3.198 13.977) 14.947 33.003 ( -3.860 -19.273 -1.941) 19.751 36.113 ( -12.685 0.757 0.353) 12.712 36.581 ( -29.489 0.841 -0.989) 29.518 37.061 ( -0.347 0.227 3.526) 3.550 37.960 ( 29.896 1.657 -17.750) 34.808 41.157 ( -0.803 3.815 8.591) 9.434 41.869 ( 5.562 -3.163 -5.559) 8.476 ======================= Grid point 352 (101/245) ======================= q-point: ( 0.15 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 15.057 -4.587 9.125) 18.194 1.558 ( 12.531 -8.542 10.295) 18.330 2.552 ( -1.538 -2.621 -1.935) 3.603 2.909 ( 5.457 -0.814 5.819) 8.019 3.165 ( 31.104 -4.810 19.465) 37.007 3.540 ( 12.930 1.425 0.170) 13.010 5.393 ( 7.068 0.993 -5.166) 8.811 5.433 ( 10.079 -1.173 -7.433) 12.579 6.085 ( 24.896 -0.393 -0.106) 24.900 6.273 ( 26.607 -0.119 -1.920) 26.676 6.937 ( 1.796 -0.304 -0.849) 2.009 7.484 ( 5.340 -2.536 -3.841) 7.050 14.454 ( -17.493 0.486 -3.965) 17.943 14.909 ( -57.320 0.903 -4.775) 57.526 17.088 ( -14.954 -7.125 8.177) 18.473 18.574 ( -13.348 2.485 -18.554) 22.992 19.337 ( -67.510 -0.237 6.831) 67.855 19.760 ( -13.630 -2.079 -1.702) 13.892 21.836 ( 18.951 1.445 1.689) 19.080 22.441 ( 24.692 -0.490 1.723) 24.757 23.132 ( 18.912 4.881 9.249) 21.611 24.208 ( 36.221 0.496 -1.858) 36.272 24.864 ( 5.151 13.209 -3.588) 14.625 25.402 ( 1.003 -3.691 -1.871) 4.257 25.890 ( 17.047 6.982 5.531) 19.234 26.296 ( 22.412 -14.691 -9.301) 28.366 28.464 ( -13.622 2.963 10.635) 17.534 29.644 ( -22.149 18.541 7.281) 29.788 32.067 ( -3.280 -1.228 13.558) 14.003 32.990 ( -8.031 -16.135 -2.344) 18.175 35.799 ( -17.868 0.736 -0.989) 17.911 36.050 ( -25.143 0.105 -2.525) 25.270 37.018 ( -3.918 0.995 5.243) 6.621 38.402 ( 16.946 2.237 -22.930) 28.600 41.142 ( 1.612 3.570 14.008) 14.545 42.027 ( 8.169 -3.000 -5.725) 10.417 ======================= Grid point 353 (102/245) ======================= q-point: ( 0.23 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 9.914 -1.398 -2.623) 10.350 1.842 ( 11.820 -8.209 -3.821) 14.890 2.563 ( 2.044 -5.813 1.101) 6.259 3.073 ( 10.458 -1.935 -0.082) 10.636 3.732 ( 23.169 -1.122 6.837) 24.183 3.794 ( 14.228 0.169 -0.306) 14.232 5.575 ( 12.650 -0.408 -2.838) 12.971 5.704 ( 16.242 -0.313 -7.699) 17.977 6.603 ( 25.780 -1.208 1.914) 25.879 6.822 ( 28.218 -0.335 0.052) 28.220 7.021 ( 7.717 -0.355 2.179) 8.027 7.642 ( 9.259 -2.602 -1.387) 9.717 13.694 ( -60.527 3.517 1.384) 60.645 14.096 ( -22.742 -0.619 -7.606) 23.988 16.834 ( -16.155 -6.830 6.047) 18.552 18.113 ( -54.390 -4.075 9.808) 55.417 18.344 ( -9.855 1.372 -20.758) 23.020 19.559 ( -7.889 4.070 -8.740) 12.458 22.190 ( 16.634 4.426 7.460) 18.760 22.688 ( 3.462 -7.494 18.786) 20.520 23.632 ( 30.579 5.139 -5.768) 31.539 24.665 ( 7.338 5.918 4.611) 10.494 24.890 ( 8.388 -3.587 -7.139) 11.584 25.471 ( 7.198 5.002 -4.243) 9.739 26.211 ( 18.033 5.998 5.563) 19.802 26.765 ( 17.357 -7.948 -10.902) 21.984 28.161 ( -14.680 2.494 10.257) 18.081 29.145 ( -18.801 14.011 7.216) 24.533 32.022 ( -2.854 -3.246 11.812) 12.578 32.886 ( -9.885 -9.408 -1.761) 13.759 35.437 ( -18.188 1.104 -2.846) 18.442 35.592 ( -21.896 -1.811 -5.226) 22.584 36.901 ( -6.876 1.858 7.582) 10.403 38.629 ( 8.282 1.563 -24.167) 25.595 41.171 ( 2.801 2.471 16.753) 17.165 42.202 ( 7.839 -2.025 -5.732) 9.920 ======================= Grid point 354 (103/245) ======================= q-point: ( 0.31 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -2.013 1.554 -6.986) 7.435 2.028 ( 2.337 -6.334 -12.959) 14.613 2.756 ( 12.962 -7.548 -0.246) 15.001 3.306 ( 10.762 -2.667 -4.590) 12.000 4.013 ( 11.735 1.810 -1.788) 12.008 4.149 ( 16.196 -0.612 -2.809) 16.449 5.879 ( 17.379 0.548 -2.040) 17.507 6.054 ( 18.567 -2.070 -3.898) 19.084 6.997 ( 12.991 -2.813 4.544) 14.047 7.304 ( 21.929 0.125 4.574) 22.401 7.353 ( 23.831 -0.933 2.489) 23.978 7.866 ( 11.767 -2.026 -0.262) 11.943 12.474 ( -60.362 4.624 7.311) 60.979 13.674 ( -20.382 0.970 -13.091) 24.244 16.486 ( -23.874 -10.205 4.009) 26.272 17.332 ( -27.177 -2.559 13.830) 30.601 18.203 ( -5.090 -1.425 -25.001) 25.553 19.385 ( -6.001 8.982 -11.463) 15.751 22.332 ( 1.297 6.811 22.237) 23.293 22.870 ( 10.394 -12.604 15.054) 22.215 24.051 ( 10.918 7.132 -3.089) 13.402 24.708 ( 7.575 -2.186 2.255) 8.200 25.118 ( 8.442 -4.832 -9.399) 13.526 25.606 ( 9.526 8.200 -6.617) 14.204 26.487 ( 13.027 5.145 4.849) 14.822 27.035 ( 7.020 -0.479 -8.066) 10.704 27.914 ( -8.267 0.006 10.307) 13.213 28.755 ( -14.333 8.901 4.652) 17.502 31.989 ( -2.452 -3.239 9.911) 10.712 32.728 ( -9.897 -4.254 -1.705) 10.907 35.088 ( -16.286 1.462 -5.453) 17.237 35.232 ( -16.321 -3.335 -7.491) 18.265 36.746 ( -7.315 2.228 10.408) 12.915 38.735 ( 3.719 0.840 -24.762) 25.053 41.211 ( 2.297 1.539 18.026) 18.236 42.346 ( 5.744 -1.163 -5.809) 8.251 ======================= Grid point 355 (104/245) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -7.072 1.930 -11.212) 13.396 2.066 ( -0.565 -4.664 -15.543) 16.237 3.071 ( 13.520 -5.839 -5.092) 15.582 3.481 ( 5.086 -1.981 -7.757) 9.485 4.210 ( 9.025 1.197 -1.235) 9.187 4.400 ( 9.633 0.645 -9.295) 13.402 6.189 ( 13.890 2.152 -1.227) 14.109 6.427 ( 16.604 -2.993 1.431) 16.932 7.264 ( 14.114 -4.495 7.220) 16.478 7.706 ( 16.648 -0.300 5.728) 17.609 7.763 ( 17.088 -0.933 3.769) 17.523 8.097 ( 10.209 -0.971 -0.026) 10.255 11.343 ( -50.185 6.109 11.026) 51.744 13.299 ( -16.771 1.378 -21.336) 27.174 16.160 ( -14.257 -16.147 10.961) 24.169 16.952 ( -13.843 6.695 6.350) 16.636 18.156 ( -2.232 -5.847 -23.412) 24.234 19.230 ( -3.745 10.443 -10.739) 15.440 22.259 ( -3.814 3.222 29.268) 29.690 23.172 ( 12.378 -10.332 13.477) 21.014 24.001 ( -7.189 7.162 6.980) 12.316 24.968 ( 11.912 -2.628 -7.014) 14.071 25.289 ( 6.957 -7.011 -10.873) 14.689 25.716 ( 5.905 7.654 -7.953) 12.518 26.661 ( 7.460 1.994 3.638) 8.536 27.046 ( -2.428 7.379 -3.693) 8.601 27.863 ( 1.039 -3.120 10.005) 10.531 28.483 ( -9.502 4.505 2.326) 10.770 31.965 ( -1.590 -2.184 8.105) 8.543 32.567 ( -7.693 -1.331 -2.416) 8.173 34.808 ( -11.308 0.654 -7.929) 13.827 34.993 ( -9.990 -2.551 -9.314) 13.894 36.607 ( -5.350 1.795 13.114) 14.277 38.779 ( 1.467 0.371 -25.141) 25.186 41.239 ( 1.259 0.829 18.617) 18.678 42.438 ( 3.243 -0.553 -5.919) 6.772 ======================= Grid point 356 (105/245) ======================= q-point: ( 0.46 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -3.698 0.708 -14.166) 14.658 2.075 ( -0.273 -1.666 -17.505) 17.587 3.305 ( 6.758 -2.621 -8.259) 10.989 3.527 ( -0.305 -0.273 -8.816) 8.825 4.333 ( 3.558 0.399 -0.418) 3.604 4.522 ( 3.260 0.421 -12.143) 12.580 6.368 ( 5.044 1.044 0.724) 5.202 6.668 ( 6.021 -0.876 4.900) 7.812 7.583 ( 12.512 -3.777 7.286) 14.963 7.901 ( 3.238 0.332 5.868) 6.711 8.012 ( 6.974 -0.612 3.890) 8.009 8.244 ( 3.888 -0.015 1.067) 4.032 10.563 ( -22.469 3.531 12.890) 26.143 13.045 ( -7.211 0.677 -28.286) 29.198 16.117 ( -0.941 -11.302 21.080) 23.937 16.684 ( -7.442 7.942 -4.355) 11.723 18.164 ( -0.481 -3.812 -20.936) 21.286 19.133 ( -1.225 5.069 -8.854) 10.275 22.186 ( -1.878 0.849 30.747) 30.816 23.446 ( 9.386 -7.030 14.995) 19.036 23.792 ( -8.372 5.949 8.903) 13.592 25.107 ( 2.395 -0.490 -10.998) 11.267 25.470 ( 5.426 -5.497 -9.447) 12.203 25.744 ( 1.082 4.654 -9.436) 10.576 26.783 ( 5.052 -4.050 1.628) 6.677 26.919 ( -4.626 8.733 -0.061) 9.883 27.921 ( 1.883 -1.786 11.033) 11.334 28.334 ( -3.740 1.416 0.373) 4.016 31.953 ( -0.495 -0.758 6.945) 7.004 32.463 ( -2.997 -0.203 -3.262) 4.434 34.654 ( -4.009 0.118 -9.325) 10.151 34.871 ( -3.401 -0.904 -10.409) 10.988 36.527 ( -1.932 0.683 14.786) 14.927 38.795 ( 0.371 0.101 -25.323) 25.326 41.251 ( 0.372 0.261 18.855) 18.860 42.481 ( 1.016 -0.156 -5.993) 6.081 ======================= Grid point 364 (106/245) ======================= q-point: ( 0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 15.488 0.000 10.088) 18.483 1.505 ( 13.929 0.000 10.515) 17.452 2.537 ( -2.011 -0.000 -1.975) 2.818 2.903 ( 4.927 0.000 5.721) 7.550 3.136 ( 32.693 0.000 20.759) 38.727 3.549 ( 12.754 0.000 -0.151) 12.755 5.400 ( 5.194 0.000 -4.313) 6.751 5.424 ( 11.971 0.000 -8.513) 14.690 6.082 ( 24.829 0.000 -0.101) 24.829 6.272 ( 26.541 0.000 -1.993) 26.616 6.935 ( 1.794 0.000 -0.866) 1.993 7.469 ( 5.565 0.000 -3.629) 6.643 14.457 ( -16.273 -0.000 -4.086) 16.778 14.914 ( -58.635 -0.000 -5.123) 58.859 17.046 ( -13.856 -0.000 10.265) 17.244 18.589 ( -13.297 -0.000 -18.283) 22.607 19.336 ( -69.984 -0.000 6.983) 70.332 19.748 ( -10.776 -0.000 -2.308) 11.020 21.845 ( 19.044 0.000 1.902) 19.139 22.438 ( 23.275 0.000 2.525) 23.412 23.161 ( 18.293 0.000 10.040) 20.867 24.211 ( 37.310 0.000 -3.837) 37.507 24.948 ( -2.062 -0.000 -3.679) 4.217 25.376 ( 5.226 0.000 -2.364) 5.736 25.946 ( 16.102 0.000 7.583) 17.798 26.192 ( 26.262 0.000 -11.483) 28.663 28.481 ( -13.967 -0.000 10.277) 17.340 29.759 ( -25.608 -0.000 3.522) 25.849 32.067 ( -3.877 -0.000 13.510) 14.055 32.883 ( -4.116 -0.000 0.202) 4.121 35.804 ( -17.958 -0.000 -0.875) 17.980 36.050 ( -25.593 -0.000 -2.404) 25.705 37.024 ( -3.776 -0.000 5.296) 6.504 38.416 ( 16.543 0.000 -23.316) 28.589 41.164 ( 0.836 0.000 13.440) 13.466 42.009 ( 8.825 0.000 -5.199) 10.242 ======================= Grid point 365 (107/245) ======================= q-point: ( 0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 12.531 2.048 -3.295) 13.118 1.761 ( 12.738 -5.564 -2.946) 14.209 2.517 ( 1.234 -2.102 1.503) 2.863 3.056 ( 10.246 -0.787 -0.497) 10.288 3.718 ( 25.680 -0.770 9.374) 27.348 3.800 ( 12.788 0.403 -1.722) 12.909 5.571 ( 12.503 -0.254 -2.163) 12.691 5.702 ( 16.081 -0.044 -9.256) 18.555 6.594 ( 25.364 -0.419 1.867) 25.436 6.819 ( 28.183 -0.165 -0.115) 28.183 7.018 ( 7.834 -0.082 2.233) 8.146 7.620 ( 9.631 -1.003 -1.094) 9.745 13.723 ( -61.651 1.414 1.148) 61.678 14.088 ( -21.027 -0.492 -8.701) 22.762 16.780 ( -15.346 -2.358 8.712) 17.804 18.077 ( -56.042 -1.748 13.056) 57.569 18.358 ( -9.935 0.685 -23.090) 25.146 19.592 ( -5.983 1.473 -10.654) 12.308 22.233 ( 19.890 2.291 5.896) 20.872 22.621 ( -0.752 -3.311 21.545) 21.811 23.673 ( 30.063 1.777 -4.914) 30.514 24.742 ( 9.438 6.914 -0.421) 11.707 24.828 ( 1.739 -6.402 -1.948) 6.914 25.516 ( 9.248 2.244 -5.655) 11.070 26.267 ( 16.980 2.947 7.023) 18.610 26.693 ( 21.036 -3.762 -12.271) 24.642 28.182 ( -15.395 0.939 9.425) 18.075 29.262 ( -22.658 5.364 4.160) 23.653 32.007 ( -2.351 -0.125 11.938) 12.168 32.797 ( -6.549 -4.612 -0.306) 8.016 35.448 ( -17.632 0.639 -2.925) 17.885 35.575 ( -23.058 -0.939 -5.058) 23.625 36.916 ( -6.803 0.670 7.599) 10.221 38.642 ( 7.772 0.583 -24.241) 25.463 41.192 ( 2.095 0.997 16.399) 16.562 42.185 ( 8.466 -0.811 -5.382) 10.064 ======================= Grid point 366 (108/245) ======================= q-point: ( 0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.198 4.092 -7.610) 8.643 1.951 ( 1.936 -6.709 -12.185) 14.044 2.686 ( 13.884 -4.286 0.136) 14.532 3.281 ( 10.883 -1.560 -5.223) 12.171 4.029 ( 11.310 0.994 -2.524) 11.630 4.143 ( 17.203 -0.444 -0.993) 17.237 5.886 ( 18.930 0.530 -0.579) 18.947 6.034 ( 17.060 -1.362 -6.547) 18.324 6.971 ( 12.656 -1.486 4.759) 13.603 7.307 ( 21.545 0.381 4.802) 22.076 7.342 ( 23.931 -0.848 2.221) 24.049 7.847 ( 12.317 -1.226 -0.016) 12.378 12.518 ( -59.600 2.810 6.936) 60.068 13.680 ( -20.309 0.184 -13.529) 24.403 16.394 ( -26.134 -5.409 5.963) 27.346 17.307 ( -23.033 -1.581 17.478) 28.957 18.187 ( -7.964 -1.216 -27.292) 28.457 19.470 ( -4.676 5.270 -14.532) 16.149 22.425 ( -0.447 9.028 23.977) 25.625 22.725 ( 11.747 -12.057 14.612) 22.291 24.116 ( 11.445 3.878 -3.799) 12.667 24.692 ( 4.735 -0.640 3.003) 5.644 25.067 ( 8.460 -3.468 -7.803) 12.021 25.683 ( 8.963 4.701 -8.040) 12.925 26.541 ( 12.271 3.740 5.822) 14.087 27.025 ( 11.297 -0.926 -7.660) 13.681 27.916 ( -10.103 0.197 8.897) 13.464 28.833 ( -18.010 4.513 2.403) 18.722 31.974 ( -1.139 0.005 10.115) 10.179 32.678 ( -7.998 -3.806 -0.896) 8.903 35.112 ( -16.118 2.512 -5.896) 17.346 35.190 ( -16.745 -3.733 -7.215) 18.612 36.766 ( -7.517 1.234 10.326) 12.832 38.742 ( 3.372 0.490 -24.601) 24.836 41.226 ( 1.793 0.948 17.790) 17.905 42.335 ( 6.189 -0.711 -5.619) 8.389 ======================= Grid point 367 (109/245) ======================= q-point: ( 0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -6.939 4.334 -12.000) 14.523 2.003 ( 0.498 -6.028 -13.981) 15.234 3.014 ( 15.214 -3.928 -5.225) 16.559 3.459 ( 5.786 -1.595 -8.107) 10.087 4.221 ( 8.553 0.785 -1.977) 8.814 4.405 ( 9.808 0.341 -7.966) 12.640 6.224 ( 14.690 3.824 -1.386) 15.243 6.386 ( 16.872 -4.143 0.227) 17.375 7.219 ( 13.397 -3.034 8.189) 15.992 7.704 ( 16.815 -0.015 5.815) 17.793 7.753 ( 17.077 -0.841 3.767) 17.507 8.087 ( 10.836 -0.796 -0.024) 10.865 11.408 ( -50.156 4.805 10.660) 51.501 13.307 ( -17.241 0.188 -20.892) 27.088 16.002 ( -14.753 -10.702 11.513) 21.558 17.032 ( -8.192 6.524 11.224) 15.351 18.067 ( -6.523 -8.097 -25.984) 27.987 19.348 ( -3.635 8.868 -14.537) 17.412 22.307 ( -5.156 4.586 30.562) 31.331 23.056 ( 13.898 -9.251 13.382) 21.396 24.070 ( -8.104 4.683 6.793) 11.565 24.947 ( 14.269 -0.992 -6.309) 15.633 25.213 ( 5.327 -5.715 -9.863) 12.583 25.788 ( 4.385 4.746 -9.091) 11.154 26.692 ( 5.555 2.939 4.439) 7.694 27.131 ( 1.442 6.797 -3.208) 7.653 27.824 ( -0.348 -3.344 8.794) 9.415 28.514 ( -12.804 1.096 1.025) 12.891 31.961 ( 0.186 1.089 8.260) 8.334 32.544 ( -7.126 -2.470 -1.815) 7.757 34.819 ( -11.730 1.300 -8.522) 14.557 34.960 ( -9.274 -2.930 -9.030) 13.271 36.625 ( -5.885 1.220 12.980) 14.304 38.783 ( 1.277 0.285 -24.951) 24.986 41.248 ( 0.898 0.631 18.463) 18.496 42.432 ( 3.525 -0.416 -5.834) 6.828 ======================= Grid point 368 (110/245) ======================= q-point: ( 0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -3.766 3.116 -14.252) 15.067 2.046 ( 1.150 -3.263 -17.000) 17.349 3.280 ( 9.457 -1.686 -8.256) 12.667 3.519 ( 0.072 -0.854 -8.966) 9.007 4.336 ( 3.044 0.206 -0.822) 3.160 4.526 ( 2.860 0.299 -11.566) 11.918 6.391 ( 4.375 2.681 0.267) 5.138 6.654 ( 7.174 -1.556 4.446) 8.582 7.539 ( 14.716 -3.640 8.200) 17.235 7.908 ( 3.961 0.926 5.886) 7.155 8.001 ( 7.073 -1.154 3.955) 8.185 8.245 ( 4.326 0.103 0.963) 4.433 10.607 ( -25.451 3.680 12.549) 28.615 13.045 ( -8.310 -0.589 -27.845) 29.065 15.975 ( 3.933 -11.638 17.669) 21.520 16.831 ( -5.683 15.690 1.403) 16.746 18.043 ( -2.950 -15.242 -20.718) 25.890 19.227 ( -3.116 9.573 -12.041) 15.695 22.208 ( -2.304 2.747 31.126) 31.332 23.356 ( 11.481 -7.924 14.729) 20.286 23.855 ( -9.988 4.689 9.230) 14.385 25.115 ( 3.733 1.869 -10.532) 11.329 25.388 ( 7.149 -7.949 -9.140) 14.066 25.795 ( -1.264 3.725 -9.985) 10.732 26.755 ( 2.568 -0.819 2.384) 3.599 27.039 ( -4.356 11.383 -0.277) 12.192 27.885 ( 2.601 -4.241 10.132) 11.288 28.326 ( -6.602 -2.376 0.473) 7.032 31.967 ( 1.558 2.844 6.767) 7.504 32.449 ( -3.332 -2.028 -2.840) 4.825 34.657 ( -4.129 0.475 -9.586) 10.448 34.857 ( -2.572 -1.502 -10.299) 10.721 36.534 ( -2.699 0.497 14.715) 14.969 38.796 ( 0.261 0.113 -25.244) 25.246 41.254 ( 0.078 0.241 18.796) 18.798 42.480 ( 1.200 -0.138 -5.970) 6.091 ======================= Grid point 369 (111/245) ======================= q-point: (-0.54 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( 3.659 1.897 -14.118) 14.707 2.084 ( 1.612 -0.212 -17.930) 18.004 3.340 ( -3.897 3.421 -8.307) 9.793 3.523 ( 0.795 -0.886 -8.703) 8.784 4.327 ( -4.084 -0.552 -0.041) 4.122 4.517 ( -3.761 -0.467 -12.607) 13.164 6.367 ( -5.601 0.783 0.718) 5.701 6.675 ( -5.192 0.263 5.300) 7.424 7.622 ( -9.329 2.832 6.678) 11.817 7.902 ( -3.041 0.508 5.848) 6.611 8.014 ( -6.519 -0.287 3.855) 7.579 8.246 ( -3.730 0.314 1.135) 3.912 10.528 ( 19.169 -2.445 13.008) 23.295 13.029 ( 6.077 -1.961 -28.520) 29.226 16.188 ( 11.015 -0.159 21.513) 24.169 16.698 ( 3.305 11.378 -6.280) 13.410 18.107 ( 0.132 -13.300 -18.534) 22.813 19.130 ( -2.003 4.186 -9.133) 10.245 22.190 ( 1.506 1.386 30.310) 30.379 23.507 ( -3.959 3.016 15.657) 16.429 23.728 ( 3.457 -4.534 8.195) 9.983 25.125 ( -1.131 2.628 -11.238) 11.597 25.496 ( -0.864 -1.705 -8.795) 9.000 25.706 ( -5.861 -1.081 -10.397) 11.984 26.817 ( -0.631 -2.407 -1.129) 2.733 26.875 ( -3.147 5.187 2.409) 6.528 27.925 ( -0.665 -1.137 11.229) 11.306 28.293 ( 0.975 -5.282 1.394) 5.549 31.987 ( 2.672 4.822 6.262) 8.342 32.452 ( 2.595 -2.050 -3.128) 4.552 34.654 ( 3.983 0.228 -9.177) 10.007 34.877 ( 4.170 0.061 -10.344) 11.153 36.518 ( 1.116 -0.726 14.847) 14.907 38.794 ( -0.486 -0.059 -25.414) 25.419 41.248 ( -0.673 -0.216 18.906) 18.919 42.483 ( -0.828 0.136 -6.017) 6.075 ======================= Grid point 370 (112/245) ======================= q-point: (-0.46 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 7.382 0.759 -10.824) 13.123 2.108 ( 1.480 2.603 -16.709) 16.976 3.146 ( -11.568 6.821 -5.154) 14.384 3.502 ( -4.056 1.509 -7.375) 8.551 4.194 ( -9.598 -1.424 -0.204) 9.705 4.390 ( -9.546 -0.983 -10.949) 14.559 6.175 ( -13.445 -0.345 -1.091) 13.493 6.455 ( -16.090 1.871 2.646) 16.413 7.320 ( -14.731 5.047 6.174) 16.751 7.712 ( -16.482 0.656 5.595) 17.418 7.773 ( -17.100 0.571 3.868) 17.541 8.108 ( -9.511 0.896 -0.064) 9.553 11.273 ( 50.134 -5.732 11.305) 51.712 13.275 ( 16.363 -2.712 -21.681) 27.298 16.360 ( 14.506 17.192 10.288) 24.735 16.895 ( 17.604 -1.994 1.670) 17.795 18.171 ( 0.950 -4.340 -19.879) 20.370 19.131 ( 2.107 -5.711 -7.796) 9.891 22.236 ( 2.770 -0.754 28.138) 28.284 23.288 ( -10.956 9.399 13.042) 19.455 23.907 ( 6.247 -8.735 7.388) 13.035 25.008 ( -9.956 4.203 -8.027) 13.461 25.368 ( -8.088 6.025 -11.912) 15.608 25.617 ( -7.336 -8.947 -7.174) 13.614 26.652 ( -10.135 0.607 2.837) 10.542 26.968 ( 4.788 -5.958 -3.677) 8.482 27.892 ( -1.333 1.707 11.024) 11.234 28.409 ( 6.492 -7.961 4.305) 11.138 32.016 ( 3.777 6.619 7.084) 10.404 32.569 ( 8.099 -1.130 -2.564) 8.570 34.804 ( 11.144 -0.020 -7.496) 13.430 35.017 ( 10.492 1.525 -9.290) 14.097 36.584 ( 4.707 -1.997 13.254) 14.206 38.775 ( -1.696 -0.356 -25.370) 25.429 41.229 ( -1.651 -0.805 18.779) 18.869 42.445 ( -2.934 0.546 -6.015) 6.714 ======================= Grid point 371 (113/245) ======================= q-point: (-0.38 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 3.794 0.937 -6.448) 7.540 2.094 ( -1.596 5.020 -13.702) 14.680 2.855 ( -11.872 9.266 -0.901) 15.087 3.340 ( -10.630 2.984 -3.718) 11.650 3.988 ( -12.276 -2.311 -0.628) 12.508 4.155 ( -14.871 0.301 -5.469) 15.848 5.875 ( -16.395 -0.059 -2.868) 16.644 6.079 ( -19.593 2.082 -1.409) 19.753 7.035 ( -13.505 3.764 4.238) 14.646 7.305 ( -22.195 0.299 4.362) 22.622 7.362 ( -24.000 0.560 2.816) 24.171 7.891 ( -11.049 2.209 -0.619) 11.284 12.416 ( 61.261 -5.098 7.776) 61.962 13.656 ( 20.632 -2.067 -12.478) 24.200 16.626 ( 20.702 13.611 0.889) 24.791 17.363 ( 31.781 2.651 8.197) 32.928 18.213 ( 2.970 -0.158 -20.346) 20.563 19.273 ( 7.152 -9.889 -7.594) 14.374 22.270 ( -2.051 -3.845 21.277) 21.719 23.013 ( -10.117 11.831 14.127) 21.021 23.955 ( -10.548 -9.172 -1.989) 14.119 24.743 ( -10.371 3.850 0.787) 11.091 25.169 ( -10.273 3.383 -11.456) 15.755 25.503 ( -9.009 -9.023 -5.002) 13.697 26.430 ( -14.193 -4.329 4.065) 15.385 27.033 ( -2.145 -0.735 -8.169) 8.478 27.917 ( 6.109 0.474 12.047) 13.516 28.632 ( 10.417 -11.893 7.443) 17.475 32.055 ( 4.498 8.178 8.892) 12.891 32.765 ( 11.726 1.817 -2.154) 12.060 35.077 ( 16.273 -0.522 -5.064) 17.050 35.265 ( 15.990 2.294 -7.519) 17.817 36.716 ( 7.052 -2.752 10.488) 12.935 38.724 ( -4.192 -0.964 -24.981) 25.348 41.192 ( -2.888 -1.643 18.301) 18.600 42.360 ( -5.208 1.262 -6.043) 8.077 ======================= Grid point 372 (114/245) ======================= q-point: (-0.31 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -6.577 4.054 -2.344) 8.074 1.945 ( -9.308 9.192 -4.648) 13.883 2.646 ( -3.293 8.247 0.453) 8.892 3.098 ( -11.139 2.219 0.816) 11.387 3.730 ( -17.473 -1.571 2.334) 17.698 3.808 ( -17.926 2.623 2.163) 18.246 5.578 ( -13.079 0.008 -3.862) 13.637 5.711 ( -16.546 0.851 -4.958) 17.294 6.621 ( -26.496 1.885 2.015) 26.640 6.825 ( -28.388 0.103 0.337) 28.390 7.027 ( -7.458 0.790 2.062) 7.778 7.677 ( -8.736 3.271 -1.858) 9.511 13.647 ( 59.607 -4.373 2.051) 59.802 14.098 ( 24.369 -0.456 -5.992) 25.099 16.935 ( 17.497 10.538 1.492) 20.480 18.144 ( 43.302 -0.606 -4.818) 43.573 18.349 ( 18.225 3.796 -7.470) 20.059 19.500 ( 11.093 -5.961 -5.523) 13.751 22.141 ( -14.095 -3.848 8.344) 16.825 22.784 ( -7.768 8.889 15.751) 19.684 23.556 ( -31.228 -7.698 -6.816) 32.877 24.608 ( -8.894 -3.913 7.972) 12.569 24.900 ( -15.708 -2.180 -10.514) 19.027 25.416 ( -2.617 -3.933 -2.669) 5.426 26.139 ( -18.439 -6.006 4.540) 19.916 26.862 ( -12.603 8.144 -9.594) 17.810 28.128 ( 13.303 -3.038 11.857) 18.077 28.956 ( 13.862 -17.861 11.116) 25.194 32.093 ( 4.324 9.004 10.958) 14.827 32.990 ( 13.706 7.687 -2.988) 15.996 35.426 ( 18.551 -0.689 -2.758) 18.768 35.612 ( 20.545 1.389 -5.369) 21.281 36.874 ( 7.040 -2.612 7.512) 10.621 38.608 ( -9.108 -2.076 -24.053) 25.804 41.139 ( -3.735 -2.893 17.221) 17.857 42.229 ( -6.986 2.414 -6.232) 9.668 ======================= Grid point 373 (115/245) ======================= q-point: (-0.23 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -13.308 8.935 7.099) 17.531 1.688 ( -9.581 13.232 9.255) 18.776 2.597 ( 0.369 4.926 -1.925) 5.301 2.918 ( -6.444 0.647 6.188) 8.957 3.241 ( -27.332 7.849 16.059) 32.658 3.518 ( -13.529 -2.114 1.280) 13.753 5.379 ( -8.212 -1.386 -5.809) 10.154 5.446 ( -9.222 0.941 -5.837) 10.954 6.092 ( -25.102 0.802 -0.122) 25.115 6.273 ( -26.794 -0.100 -1.710) 26.849 6.943 ( -1.780 0.776 -0.866) 2.126 7.523 ( -4.918 3.809 -4.297) 7.560 14.445 ( 20.217 -1.070 -3.478) 20.542 14.888 ( 53.852 -2.973 -3.759) 54.065 17.206 ( 17.880 13.024 2.756) 22.291 18.531 ( 13.726 -5.065 -19.255) 24.183 19.345 ( 61.594 1.421 6.738) 61.978 19.792 ( 20.454 3.149 -0.326) 20.698 21.814 ( -18.876 -2.241 1.009) 19.036 22.447 ( -28.727 0.334 -0.603) 28.735 23.055 ( -20.223 -8.101 7.805) 23.142 24.198 ( -33.788 -1.184 2.517) 33.903 24.677 ( -15.740 -17.869 -1.998) 23.896 25.446 ( 3.712 3.602 -1.646) 5.428 25.815 ( -15.989 -5.652 4.734) 17.607 26.486 ( -17.173 16.994 -7.935) 25.430 28.415 ( 12.570 -5.223 11.809) 18.021 29.374 ( 15.683 -25.908 14.058) 33.389 32.119 ( 3.474 8.047 12.846) 15.552 33.196 ( 14.280 17.182 -5.928) 23.115 35.789 ( 17.667 -0.773 -1.359) 17.736 36.046 ( 24.010 -0.627 -2.812) 24.183 37.002 ( 4.326 -1.702 5.079) 6.885 38.368 ( -17.875 -3.557 -22.009) 28.576 41.091 ( -3.071 -4.780 15.082) 16.116 42.070 ( -6.941 4.064 -6.770) 10.513 ======================= Grid point 374 (116/245) ======================= q-point: (-0.15 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -5.789 6.258 20.406) 22.115 1.486 ( 2.648 16.734 24.498) 29.786 2.423 ( -25.519 5.515 18.173) 31.811 2.712 ( -5.150 5.855 5.798) 9.717 2.897 ( -1.129 4.034 10.421) 11.232 3.300 ( -9.625 -3.019 1.745) 10.237 5.248 ( -5.014 -0.177 -6.511) 8.220 5.359 ( -0.468 0.186 -6.175) 6.196 5.679 ( -15.913 0.430 -2.057) 16.051 5.833 ( -17.063 -0.320 -3.950) 17.518 6.927 ( 0.170 0.420 -2.621) 2.660 7.436 ( -1.816 4.122 -6.745) 8.111 14.729 ( 9.751 2.715 -1.484) 10.230 15.876 ( 40.440 -9.882 -10.162) 42.852 17.472 ( 17.027 17.914 -0.270) 24.717 18.830 ( 13.117 -1.684 -18.697) 22.902 20.064 ( 20.732 1.676 8.415) 22.437 20.707 ( 60.900 1.943 0.901) 60.937 21.536 ( -6.411 -2.502 -0.404) 6.894 21.788 ( -32.001 -3.865 -4.288) 32.517 22.747 ( -22.742 -13.484 7.283) 27.423 23.387 ( -47.061 3.835 0.443) 47.219 24.403 ( -23.450 -24.720 14.378) 36.983 25.390 ( -5.781 3.280 1.741) 6.871 25.718 ( 3.435 1.337 0.665) 3.746 26.055 ( -13.272 22.818 -3.433) 26.619 28.649 ( 7.456 -5.906 12.080) 15.376 29.846 ( 13.241 -35.580 11.898) 39.785 32.140 ( 2.359 3.909 14.326) 15.036 33.319 ( 11.000 29.520 -11.145) 33.416 36.098 ( 12.252 -1.607 -0.343) 12.362 36.562 ( 28.371 -2.341 -1.352) 28.500 37.056 ( 0.684 -0.604 3.422) 3.542 37.926 ( -29.704 -3.893 -16.210) 34.062 41.086 ( -0.864 -7.333 11.295) 13.494 41.927 ( -4.300 6.006 -7.648) 10.633 ======================= Grid point 375 (117/245) ======================= q-point: (-0.08 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 5.200 22.599) 23.189 1.653 ( 0.000 6.579 35.113) 35.724 1.873 ( 0.000 12.094 34.155) 36.233 2.680 ( 0.000 2.058 -2.855) 3.519 2.878 ( 0.000 3.340 12.557) 12.993 3.214 ( -0.000 -2.648 1.271) 2.937 5.198 ( 0.000 0.825 -5.575) 5.636 5.374 ( 0.000 0.321 -7.015) 7.022 5.502 ( 0.000 0.360 -2.598) 2.623 5.660 ( -0.000 -0.461 -5.233) 5.254 6.931 ( 0.000 0.022 -3.484) 3.484 7.396 ( 0.000 3.767 -7.507) 8.400 14.802 ( 0.000 3.698 0.821) 3.788 16.402 ( -0.000 -14.694 -17.355) 22.740 17.552 ( 0.000 20.373 -2.033) 20.474 18.980 ( 0.000 0.668 -21.429) 21.439 20.293 ( 0.000 0.851 12.044) 12.074 21.232 ( -0.000 -0.809 -2.633) 2.755 21.477 ( -0.000 -2.763 -2.235) 3.554 22.080 ( 0.000 1.256 -9.200) 9.286 22.223 ( -0.000 -14.880 12.212) 19.250 22.663 ( 0.000 2.688 6.527) 7.059 24.248 ( -0.000 -19.671 27.855) 34.101 25.320 ( 0.000 0.553 4.307) 4.343 25.735 ( 0.000 25.639 0.703) 25.649 25.802 ( 0.000 0.004 -2.719) 2.719 28.755 ( -0.000 -4.515 11.868) 12.698 30.216 ( -0.000 -36.659 2.159) 36.722 32.165 ( -0.000 -3.248 14.534) 14.892 33.236 ( 0.000 36.271 -11.265) 37.980 36.239 ( -0.000 -1.821 0.533) 1.897 37.058 ( -0.000 -0.126 2.762) 2.765 37.094 ( -0.000 -5.495 -9.764) 11.203 37.397 ( 0.000 0.150 -2.226) 2.231 41.130 ( -0.000 -8.216 7.165) 10.901 41.845 ( 0.000 6.601 -7.358) 9.885 ======================= Grid point 378 (118/245) ======================= q-point: ( 0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 4.292 0.000 -4.965) 6.563 1.887 ( -1.510 -0.000 -14.769) 14.846 2.661 ( 14.260 0.000 0.251) 14.262 3.271 ( 10.938 0.000 -5.451) 12.221 4.035 ( 11.141 0.000 -2.784) 11.484 4.140 ( 17.583 0.000 -0.345) 17.586 5.889 ( 19.809 0.000 0.291) 19.811 6.025 ( 16.213 0.000 -7.844) 18.011 6.963 ( 12.546 0.000 4.836) 13.445 7.310 ( 21.159 0.000 5.046) 21.752 7.336 ( 24.217 0.000 1.971) 24.297 7.839 ( 12.524 0.000 0.070) 12.524 12.535 ( -59.301 -0.000 6.790) 59.689 13.680 ( -20.302 -0.000 -13.684) 24.483 16.362 ( -26.934 -0.000 6.630) 27.738 17.297 ( -21.447 -0.000 18.736) 28.478 18.179 ( -9.154 -0.000 -27.975) 29.435 19.502 ( -4.150 -0.000 -15.670) 16.210 22.507 ( -7.497 -0.000 29.580) 30.515 22.626 ( 18.645 0.000 9.476) 20.915 24.139 ( 11.734 0.000 -4.043) 12.411 24.689 ( 3.379 0.000 3.221) 4.669 25.046 ( 8.788 0.000 -7.232) 11.381 25.711 ( 8.614 0.000 -8.597) 12.170 26.564 ( 11.957 0.000 6.311) 13.521 27.019 ( 13.058 0.000 -7.494) 15.055 27.917 ( -10.789 -0.000 8.343) 13.638 28.859 ( -19.537 -0.000 1.559) 19.599 31.976 ( -0.749 -0.000 10.025) 10.053 32.653 ( -7.137 -0.000 -0.460) 7.152 35.141 ( -13.728 -0.000 -5.700) 14.864 35.153 ( -19.230 -0.000 -7.454) 20.624 36.773 ( -7.593 -0.000 10.292) 12.789 38.745 ( 3.245 0.000 -24.542) 24.756 41.231 ( 1.590 0.000 17.696) 17.767 42.330 ( 6.365 0.000 -5.546) 8.442 ======================= Grid point 379 (119/245) ======================= q-point: ( 0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -7.970 3.487 -13.336) 15.923 1.938 ( 2.278 -4.051 -12.147) 13.006 2.983 ( 16.202 -1.384 -5.381) 17.128 3.446 ( 6.128 -0.602 -8.321) 10.351 4.227 ( 8.289 0.273 -2.348) 8.619 4.408 ( 9.934 0.105 -7.245) 12.296 6.275 ( 15.474 4.805 -1.435) 16.266 6.333 ( 16.803 -4.875 -0.577) 17.505 7.195 ( 12.919 -1.061 8.773) 15.652 7.705 ( 16.943 0.050 5.850) 17.925 7.745 ( 17.054 -0.348 3.804) 17.477 8.080 ( 11.198 -0.313 -0.039) 11.203 11.448 ( -50.116 1.843 10.394) 51.215 13.307 ( -17.551 -0.113 -20.556) 27.030 15.917 ( -15.083 -3.703 11.808) 19.511 17.089 ( -3.643 2.822 15.075) 15.764 17.994 ( -10.507 -3.684 -28.372) 30.479 19.421 ( -3.300 3.350 -16.841) 17.485 22.352 ( -6.606 2.476 31.745) 32.520 22.974 ( 15.407 -4.101 12.860) 20.484 24.107 ( -8.694 1.628 6.721) 11.109 24.942 ( 16.312 -0.084 -5.937) 17.359 25.165 ( 3.747 -2.307 -9.329) 10.315 25.825 ( 3.375 1.561 -9.833) 10.512 26.719 ( 4.571 1.397 4.913) 6.855 27.191 ( 4.911 2.903 -2.568) 6.257 27.794 ( -2.027 -1.529 7.753) 8.159 28.517 ( -15.014 -0.103 0.497) 15.023 31.977 ( 1.161 1.063 7.987) 8.141 32.519 ( -6.734 -1.316 -1.229) 6.971 34.834 ( -12.523 0.971 -9.196) 15.567 34.931 ( -8.310 -1.618 -8.503) 11.998 36.634 ( -6.187 0.429 12.898) 14.312 38.785 ( 1.169 0.107 -24.845) 24.873 41.253 ( 0.679 0.237 18.368) 18.382 42.429 ( 3.694 -0.155 -5.782) 6.863 ======================= Grid point 380 (120/245) ======================= q-point: ( 0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -4.190 3.267 -14.395) 15.344 2.007 ( 2.610 -3.097 -16.522) 17.011 3.266 ( 11.463 -0.793 -8.279) 14.163 3.510 ( 0.187 -0.695 -9.105) 9.133 4.338 ( 2.664 0.078 -1.114) 2.889 4.529 ( 2.607 0.151 -11.106) 11.409 6.424 ( 3.347 2.660 -0.490) 4.304 6.634 ( 8.713 -1.630 4.213) 9.814 7.504 ( 15.890 -2.249 9.078) 18.437 7.920 ( 4.798 0.979 5.960) 7.714 7.987 ( 6.842 -1.087 3.956) 7.978 8.246 ( 4.808 0.066 0.870) 4.886 10.643 ( -27.509 2.399 12.170) 30.177 13.035 ( -9.079 -0.829 -27.382) 28.860 15.867 ( 5.855 -6.541 16.129) 18.363 17.015 ( -0.261 14.498 7.009) 16.105 17.854 ( -7.979 -15.239 -22.247) 28.122 19.325 ( -3.805 6.426 -15.041) 16.793 22.242 ( -2.806 2.618 31.392) 31.626 23.275 ( 12.616 -5.490 14.683) 20.122 23.897 ( -10.625 2.484 9.305) 14.341 25.150 ( 4.797 4.197 -10.021) 11.876 25.296 ( 7.430 -7.758 -8.907) 13.954 25.827 ( -2.200 1.738 -10.676) 11.038 26.756 ( 0.878 0.573 2.709) 2.905 27.165 ( -3.654 9.272 -0.024) 9.966 27.831 ( 2.595 -4.601 8.804) 10.267 28.292 ( -8.553 -2.875 1.347) 9.123 32.008 ( 3.194 3.406 6.068) 7.656 32.422 ( -3.781 -2.295 -2.137) 4.912 34.663 ( -4.373 0.504 -9.889) 10.825 34.840 ( -1.818 -1.237 -10.074) 10.312 36.538 ( -3.241 0.253 14.658) 15.014 38.797 ( 0.184 0.076 -25.193) 25.194 41.257 ( -0.136 0.146 18.747) 18.749 42.478 ( 1.334 -0.082 -5.952) 6.100 ======================= Grid point 381 (121/245) ======================= q-point: (-0.62 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 3.382 2.918 -14.044) 14.737 2.074 ( 2.860 -1.273 -18.266) 18.532 3.383 ( -1.221 3.898 -8.398) 9.339 3.505 ( 0.949 -2.229 -8.619) 8.953 4.321 ( -4.524 -0.497 0.198) 4.555 4.512 ( -4.251 -0.381 -12.836) 13.527 6.382 ( -6.189 1.551 0.370) 6.391 6.675 ( -4.537 -0.082 5.545) 7.165 7.647 ( -5.893 1.473 6.455) 8.863 7.912 ( -3.440 1.161 5.825) 6.864 8.006 ( -5.980 -1.020 3.852) 7.186 8.251 ( -3.760 0.483 1.150) 3.962 10.507 ( 16.309 -1.207 12.912) 20.837 13.004 ( 5.206 -2.167 -28.548) 29.100 16.147 ( 17.336 -4.788 16.616) 24.486 16.911 ( 2.373 23.055 -2.020) 23.265 17.886 ( -0.746 -23.235 -14.867) 27.594 19.201 ( -4.627 6.517 -11.650) 14.128 22.214 ( 1.107 2.352 29.918) 30.031 23.509 ( 5.818 -2.228 15.550) 16.751 23.700 ( -5.731 -0.409 8.278) 10.076 25.166 ( -0.200 4.218 -11.246) 12.013 25.440 ( 1.769 -6.714 -7.792) 10.437 25.714 ( -8.255 1.638 -12.107) 14.745 26.784 ( 1.853 -2.069 -0.367) 2.802 26.970 ( -9.606 8.914 1.467) 13.187 27.897 ( 0.863 -3.489 10.756) 11.341 28.225 ( -0.856 -5.702 3.311) 6.649 32.057 ( 4.775 6.786 4.943) 9.658 32.417 ( 1.845 -3.795 -2.455) 4.882 34.658 ( 3.962 0.347 -9.134) 9.963 34.874 ( 4.797 -0.411 -10.168) 11.251 36.511 ( 0.437 -0.562 14.886) 14.903 38.793 ( -0.583 -0.022 -25.495) 25.502 41.246 ( -0.915 -0.136 18.939) 18.961 42.484 ( -0.677 0.091 -6.035) 6.074 ======================= Grid point 382 (122/245) ======================= q-point: (-0.54 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 7.430 2.295 -10.614) 13.157 2.128 ( 2.368 0.851 -17.528) 17.708 3.225 ( -9.839 6.629 -5.445) 13.053 3.513 ( -2.826 0.306 -7.012) 7.567 4.178 ( -10.143 -1.327 0.897) 10.269 4.377 ( -9.658 -1.128 -12.505) 15.840 6.179 ( -13.363 0.847 -1.109) 13.435 6.472 ( -15.576 1.012 3.607) 16.020 7.376 ( -15.033 4.434 5.304) 16.546 7.721 ( -16.320 0.971 5.463) 17.238 7.775 ( -17.121 -0.165 4.046) 17.594 8.118 ( -8.974 0.704 -0.119) 9.002 11.215 ( 49.983 -4.204 11.422) 51.444 13.239 ( 16.165 -3.136 -21.871) 27.376 16.515 ( 18.904 7.707 8.497) 22.113 16.947 ( 15.164 12.646 -1.733) 19.821 18.045 ( 3.734 -16.887 -13.509) 21.945 19.105 ( -1.703 0.741 -7.907) 8.122 22.239 ( 1.852 1.067 27.285) 27.368 23.388 ( -9.463 7.890 12.027) 17.218 23.803 ( 5.438 -9.053 8.230) 13.389 25.064 ( -8.583 5.295 -9.212) 13.660 25.409 ( -8.078 -0.514 -10.454) 13.221 25.530 ( -8.958 -4.233 -9.235) 13.544 26.675 ( -12.957 3.204 2.186) 13.525 26.908 ( 5.065 -4.368 -3.254) 7.438 27.903 ( -0.454 0.198 11.944) 11.954 28.309 ( 4.538 -8.717 6.352) 11.701 32.114 ( 5.952 9.781 5.324) 12.627 32.539 ( 8.057 -4.067 -2.064) 9.259 34.806 ( 11.092 0.304 -7.211) 13.233 35.028 ( 10.845 0.544 -9.056) 14.140 36.562 ( 4.105 -1.721 13.361) 14.083 38.771 ( -1.910 -0.266 -25.586) 25.659 41.221 ( -1.982 -0.612 18.909) 19.023 42.450 ( -2.669 0.423 -6.097) 6.669 ======================= Grid point 383 (123/245) ======================= q-point: (-0.46 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 5.053 2.490 -6.130) 8.325 2.142 ( -0.320 3.240 -14.255) 14.622 2.965 ( -10.874 9.346 -1.734) 14.443 3.371 ( -10.438 2.375 -2.853) 11.079 3.961 ( -12.804 -2.353 0.919) 13.051 4.155 ( -13.625 -0.388 -8.479) 16.052 5.878 ( -16.121 0.624 -3.027) 16.414 6.101 ( -20.036 1.603 0.442) 20.105 7.081 ( -14.004 4.069 3.909) 15.098 7.311 ( -22.560 0.629 4.104) 22.938 7.365 ( -24.217 -0.110 3.281) 24.438 7.915 ( -10.359 1.858 -1.006) 10.573 12.360 ( 61.977 -4.420 8.198) 62.673 13.628 ( 21.104 -2.670 -11.865) 24.358 16.792 ( 18.069 14.690 -3.183) 23.503 17.390 ( 32.782 2.044 1.221) 32.869 18.194 ( 5.865 -3.262 -12.300) 14.012 19.168 ( 6.358 -7.773 -4.685) 11.082 22.241 ( -2.787 -1.328 20.600) 20.830 23.143 ( -9.798 10.496 12.571) 19.084 23.844 ( -10.263 -9.776 -0.516) 14.184 24.794 ( -12.756 4.903 -1.688) 13.769 25.182 ( -14.906 -1.785 -11.525) 18.927 25.415 ( -6.051 -5.279 -5.180) 9.556 26.391 ( -15.855 -2.364 3.654) 16.442 27.018 ( 1.876 -1.890 -7.423) 7.886 27.926 ( 4.752 1.166 13.739) 14.584 28.489 ( 7.593 -12.232 9.638) 17.326 32.175 ( 6.698 12.109 7.157) 15.579 32.765 ( 12.840 -2.034 -1.909) 13.139 35.075 ( 16.226 0.086 -4.773) 16.913 35.284 ( 15.691 1.094 -7.273) 17.329 36.684 ( 6.809 -2.642 10.521) 12.807 38.713 ( -4.675 -0.860 -25.203) 25.648 41.174 ( -3.388 -1.360 18.529) 18.885 42.374 ( -4.732 1.067 -6.259) 7.919 ======================= Grid point 384 (124/245) ======================= q-point: (-0.38 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -3.219 5.454 -2.291) 6.735 2.048 ( -6.079 8.221 -5.658) 11.686 2.749 ( -4.709 9.076 -0.219) 10.227 3.122 ( -12.307 1.826 2.018) 12.604 3.704 ( -15.427 -2.572 1.870) 15.751 3.844 ( -17.383 3.015 0.171) 17.644 5.577 ( -13.848 -0.173 -4.267) 14.492 5.723 ( -16.928 1.076 -2.252) 17.111 6.646 ( -27.328 2.439 2.162) 27.521 6.823 ( -28.731 -0.551 0.708) 28.745 7.039 ( -7.125 1.167 1.866) 7.457 7.714 ( -8.288 3.024 -2.367) 9.135 13.596 ( 59.358 -4.235 3.056) 59.587 14.085 ( 25.006 -1.671 -4.423) 25.449 17.074 ( 18.848 13.128 -3.817) 23.285 18.083 ( 26.687 -9.205 -19.030) 34.045 18.444 ( 32.436 11.692 5.754) 34.955 19.422 ( 14.436 -7.444 -1.979) 16.362 22.105 ( -12.870 -2.324 8.519) 15.608 22.889 ( -11.322 8.976 12.858) 19.342 23.459 ( -31.532 -8.790 -7.348) 33.549 24.573 ( -11.775 -2.160 9.066) 15.017 24.841 ( -22.398 -7.478 -10.265) 25.748 25.386 ( 1.880 -1.284 -3.027) 3.788 26.077 ( -18.279 -4.600 4.107) 19.291 26.946 ( -7.869 6.191 -7.989) 12.809 28.097 ( 11.640 -1.915 13.865) 18.204 28.748 ( 10.174 -17.303 13.601) 24.247 32.227 ( 6.220 13.914 9.524) 17.972 33.051 ( 16.265 2.500 -3.121) 16.749 35.422 ( 18.784 -0.036 -2.700) 18.977 35.622 ( 19.289 0.416 -5.335) 20.017 36.843 ( 7.301 -2.740 7.359) 10.722 38.583 ( -9.982 -2.049 -23.941) 26.020 41.107 ( -4.489 -2.487 17.583) 18.316 42.256 ( -6.252 2.138 -6.689) 9.402 ======================= Grid point 385 (125/245) ======================= q-point: (-0.31 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -10.459 11.349 4.874) 16.185 1.851 ( -6.355 14.258 7.372) 17.264 2.661 ( -1.407 5.868 -1.849) 6.311 2.921 ( -7.166 -0.081 6.927) 9.967 3.331 ( -22.151 6.768 10.631) 25.485 3.501 ( -15.016 -0.174 3.958) 15.530 5.360 ( -8.924 -1.944 -5.879) 10.861 5.454 ( -9.573 0.466 -3.755) 10.293 6.103 ( -25.441 1.241 -0.142) 25.472 6.269 ( -27.058 -0.711 -1.396) 27.103 6.955 ( -1.761 1.211 -1.007) 2.362 7.567 ( -4.685 3.684 -4.716) 7.600 14.432 ( 22.887 -1.097 -2.571) 23.057 14.837 ( 49.377 -5.760 -2.366) 49.768 17.380 ( 21.475 16.317 -3.932) 27.256 18.457 ( 14.949 -7.531 -20.018) 26.095 19.373 ( 54.281 3.507 7.135) 54.860 19.828 ( 28.676 2.793 1.079) 28.832 21.787 ( -19.210 -2.296 -0.114) 19.347 22.446 ( -34.671 -0.550 -4.195) 34.928 22.955 ( -21.295 -8.580 7.250) 24.076 24.179 ( -31.986 -2.377 5.034) 32.467 24.471 ( -21.801 -16.731 2.974) 27.642 25.483 ( 6.067 2.760 -2.191) 7.016 25.759 ( -14.515 -3.981 4.422) 15.687 26.675 ( -12.469 15.001 -6.307) 20.501 28.350 ( 10.956 -5.518 13.731) 18.412 29.080 ( 11.147 -23.838 17.866) 31.808 32.251 ( 4.577 14.430 11.649) 19.102 33.357 ( 18.170 9.791 -6.994) 21.793 35.784 ( 17.659 0.083 -1.964) 17.768 36.034 ( 22.572 -1.536 -3.146) 22.842 36.980 ( 4.927 -1.943 4.810) 7.154 38.324 ( -18.814 -3.706 -21.010) 28.445 41.038 ( -4.160 -4.108 15.849) 16.893 42.116 ( -6.007 3.610 -7.635) 10.364 ======================= Grid point 386 (126/245) ======================= q-point: (-0.23 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -5.747 12.360 15.897) 20.941 1.694 ( 2.841 18.473 20.730) 27.912 2.490 ( -18.822 5.443 10.876) 22.409 2.798 ( -4.060 7.845 6.781) 11.136 2.956 ( -4.708 6.697 12.050) 14.568 3.257 ( -10.758 -3.949 3.384) 11.949 5.241 ( -4.349 -1.306 -6.678) 8.075 5.354 ( -1.301 -1.125 -5.272) 5.545 5.685 ( -15.946 0.648 -2.202) 16.111 5.826 ( -17.340 -0.804 -3.793) 17.768 6.935 ( 0.054 0.943 -2.698) 2.858 7.486 ( -1.565 4.117 -7.238) 8.473 14.757 ( 11.319 1.985 -3.121) 11.908 15.737 ( 33.845 -13.594 -7.730) 37.283 17.713 ( 22.662 22.573 -8.774) 33.168 18.804 ( 15.608 -2.790 -19.117) 24.836 20.087 ( 23.363 2.260 9.162) 25.197 20.739 ( 56.062 3.490 -0.226) 56.171 21.501 ( -6.620 -3.574 -1.109) 7.605 21.729 ( -32.912 -6.329 -5.126) 33.905 22.577 ( -27.949 -15.072 6.234) 32.361 23.406 ( -46.955 -1.114 -3.030) 47.066 24.153 ( -19.173 -17.057 27.860) 37.878 25.417 ( -7.623 1.714 2.528) 8.212 25.726 ( 5.908 0.178 -1.110) 6.014 26.332 ( -10.098 23.192 -4.237) 25.647 28.563 ( 6.356 -8.367 14.178) 17.647 29.439 ( 8.268 -32.421 20.522) 39.251 32.239 ( 2.375 12.788 13.195) 18.528 33.611 ( 14.918 19.291 -14.641) 28.444 36.082 ( 11.791 -0.766 -1.927) 11.972 36.528 ( 26.710 -3.490 -2.061) 27.016 37.048 ( 1.230 -0.797 3.259) 3.573 37.877 ( -29.042 -4.193 -14.344) 32.662 41.005 ( -2.136 -6.327 13.399) 14.971 41.995 ( -3.455 5.249 -9.200) 11.141 ======================= Grid point 387 (127/245) ======================= q-point: (-0.15 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.000 10.759 19.897) 22.619 1.762 ( 0.000 11.878 31.743) 33.893 2.050 ( 0.000 17.003 25.860) 30.949 2.731 ( 0.000 6.882 -1.189) 6.984 2.920 ( 0.000 3.737 12.415) 12.966 3.168 ( -0.000 -5.273 2.138) 5.690 5.203 ( -0.000 -0.074 -6.496) 6.497 5.370 ( -0.000 -1.200 -6.669) 6.777 5.508 ( 0.000 0.681 -2.822) 2.903 5.652 ( -0.000 -0.864 -5.178) 5.250 6.934 ( 0.000 0.542 -3.330) 3.373 7.447 ( 0.000 4.585 -8.381) 9.553 14.849 ( 0.000 3.936 -2.903) 4.891 16.197 ( -0.000 -19.496 -11.172) 22.470 17.839 ( 0.000 27.292 -14.267) 30.796 18.989 ( 0.000 0.753 -21.785) 21.798 20.308 ( 0.000 1.697 11.498) 11.623 21.214 ( -0.000 -2.502 -3.111) 3.992 21.438 ( -0.000 -3.546 -1.993) 4.068 22.021 ( -0.000 -18.779 13.081) 22.886 22.098 ( 0.000 1.754 -8.007) 8.197 22.655 ( -0.000 -4.710 2.143) 5.174 24.032 ( -0.000 -15.054 38.393) 41.239 25.329 ( 0.000 1.001 4.117) 4.238 25.802 ( -0.000 -0.012 -2.959) 2.959 26.064 ( 0.000 28.692 -2.783) 28.827 28.679 ( -0.000 -8.471 13.583) 16.008 29.744 ( -0.000 -40.333 18.323) 44.299 32.200 ( 0.000 8.727 14.115) 16.595 33.633 ( 0.000 28.842 -20.036) 35.118 36.214 ( -0.000 -1.937 -1.088) 2.221 37.012 ( -0.000 -8.047 -8.784) 11.913 37.055 ( -0.000 -0.220 2.784) 2.793 37.400 ( 0.000 0.261 -2.273) 2.288 41.029 ( -0.000 -8.360 11.160) 13.944 41.926 ( 0.000 6.582 -9.911) 11.897 ======================= Grid point 392 (128/245) ======================= q-point: ( 0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -4.587 -0.000 -14.482) 15.191 1.986 ( 3.396 0.000 -16.306) 16.656 3.261 ( 12.219 0.000 -8.293) 14.767 3.505 ( 0.182 0.000 -9.162) 9.164 4.338 ( 2.524 0.000 -1.217) 2.802 4.530 ( 2.519 0.000 -10.934) 11.221 6.442 ( 2.579 0.000 -0.965) 2.754 6.623 ( 9.708 0.000 4.254) 10.599 7.490 ( 16.239 0.000 9.449) 18.788 7.927 ( 5.227 0.000 6.066) 8.007 7.980 ( 6.628 0.000 3.881) 7.681 8.246 ( 5.014 0.000 0.832) 5.082 10.658 ( -28.243 -0.000 12.003) 30.688 13.030 ( -9.349 -0.000 -27.179) 28.742 15.829 ( 6.408 0.000 15.716) 16.972 17.114 ( 4.220 0.000 11.444) 12.197 17.750 ( -12.257 -0.000 -25.344) 28.152 19.364 ( -3.974 -0.000 -16.139) 16.621 22.259 ( -3.074 -0.000 31.497) 31.646 23.241 ( 13.062 0.000 14.675) 19.646 23.912 ( -10.811 -0.000 9.309) 14.267 25.205 ( 1.704 0.000 -11.054) 11.184 25.220 ( 10.915 0.000 -7.595) 13.298 25.836 ( -2.458 -0.000 -10.943) 11.215 26.761 ( 0.269 0.000 2.795) 2.808 27.225 ( -3.198 -0.000 0.156) 3.202 27.799 ( 2.331 0.000 8.081) 8.410 28.273 ( -9.169 -0.000 1.897) 9.363 32.030 ( 3.920 0.000 5.656) 6.882 32.407 ( -4.094 -0.000 -1.759) 4.456 34.667 ( -4.530 -0.000 -10.041) 11.016 34.832 ( -1.476 -0.000 -9.946) 10.055 36.540 ( -3.436 -0.000 14.636) 15.034 38.798 ( 0.156 0.000 -25.175) 25.176 41.257 ( -0.214 -0.000 18.729) 18.730 42.478 ( 1.383 0.000 -5.945) 6.104 ======================= Grid point 393 (129/245) ======================= q-point: (-0.69 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 3.009 1.434 -13.949) 14.342 2.060 ( 3.739 -0.751 -18.491) 18.880 3.429 ( 1.624 3.798 -8.537) 9.484 3.473 ( -0.281 -3.225 -8.503) 9.099 4.316 ( -4.780 -0.199 0.297) 4.794 4.509 ( -4.561 -0.149 -12.895) 13.679 6.397 ( -6.648 0.772 0.027) 6.692 6.674 ( -4.100 -0.089 5.655) 6.985 7.658 ( -3.622 0.403 6.451) 7.409 7.925 ( -3.907 0.778 5.877) 7.100 7.994 ( -5.658 -0.724 3.791) 6.849 8.255 ( -3.786 0.236 1.141) 3.961 10.499 ( 14.638 -0.324 12.776) 19.432 12.984 ( 4.756 -0.943 -28.498) 28.907 16.104 ( 19.406 -2.076 14.284) 24.185 17.188 ( 7.121 21.641 3.163) 23.001 17.607 ( -5.279 -21.750 -15.809) 27.402 19.258 ( -5.881 2.753 -13.266) 14.770 22.236 ( 0.782 1.173 29.685) 29.719 23.481 ( 10.446 -1.725 14.801) 18.197 23.703 ( -9.895 0.414 9.012) 13.390 25.216 ( 0.155 3.500 -11.423) 11.948 25.367 ( 2.213 -4.717 -7.288) 8.959 25.730 ( -8.262 0.769 -12.922) 15.357 26.770 ( 1.435 -0.476 0.027) 1.512 27.053 ( -12.387 4.329 0.799) 13.146 27.858 ( 2.280 -2.362 10.187) 10.703 28.176 ( -1.566 -2.290 5.031) 5.745 32.126 ( 6.779 3.964 3.717) 8.688 32.375 ( 0.538 -2.688 -1.655) 3.202 34.661 ( 3.928 0.166 -9.144) 9.953 34.870 ( 5.170 -0.245 -10.018) 11.276 36.506 ( 0.055 -0.212 14.903) 14.905 38.793 ( -0.637 -0.004 -25.543) 25.551 41.245 ( -1.048 -0.046 18.954) 18.983 42.485 ( -0.594 0.032 -6.045) 6.074 ======================= Grid point 394 (130/245) ======================= q-point: (-0.62 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 7.244 1.936 -10.451) 12.862 2.132 ( 3.088 -0.018 -18.066) 18.328 3.293 ( -8.817 4.663 -5.868) 11.572 3.509 ( -1.614 -0.729 -6.653) 6.885 4.165 ( -10.535 -0.814 1.750) 10.711 4.366 ( -9.897 -0.791 -13.582) 16.824 6.190 ( -13.455 0.892 -1.242) 13.542 6.480 ( -15.225 0.425 4.199) 15.799 7.418 ( -15.056 2.636 4.736) 16.002 7.734 ( -16.101 1.130 5.413) 17.024 7.769 ( -17.221 -0.836 4.188) 17.742 8.124 ( -8.713 0.412 -0.162) 8.725 11.177 ( 49.804 -2.158 11.421) 51.143 13.208 ( 16.149 -2.111 -21.947) 27.330 16.550 ( 24.180 0.275 5.273) 24.750 17.171 ( 8.724 23.546 -4.347) 25.484 17.803 ( 8.742 -23.640 -5.677) 25.836 19.127 ( -4.947 2.154 -9.126) 10.602 22.254 ( 1.105 1.263 26.798) 26.850 23.470 ( -8.396 6.164 10.158) 14.549 23.704 ( 5.113 -7.486 9.887) 13.414 25.127 ( -7.829 5.380 -10.568) 14.210 25.353 ( -7.595 -6.702 -6.313) 11.936 25.526 ( -10.202 1.460 -13.596) 17.061 26.720 ( -15.527 4.117 1.688) 16.152 26.863 ( 4.349 -3.459 -2.762) 6.206 27.900 ( 1.331 -0.478 12.836) 12.913 28.222 ( 3.409 -5.640 7.717) 10.148 32.233 ( 8.126 10.203 3.255) 13.444 32.476 ( 7.195 -6.573 -0.934) 9.790 34.810 ( 11.079 0.273 -7.056) 13.137 35.031 ( 11.061 0.043 -8.792) 14.130 36.546 ( 3.683 -0.997 13.419) 13.951 38.769 ( -2.061 -0.138 -25.740) 25.823 41.215 ( -2.196 -0.324 18.989) 19.118 42.454 ( -2.495 0.228 -6.152) 6.642 ======================= Grid point 395 (131/245) ======================= q-point: (-0.54 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( 5.794 2.542 -5.933) 8.673 2.170 ( 0.867 1.553 -14.661) 14.768 3.065 ( -10.123 7.505 -2.614) 12.869 3.392 ( -10.113 1.099 -2.179) 10.404 3.936 ( -13.210 -1.801 2.656) 13.594 4.147 ( -12.805 -0.847 -11.206) 17.037 5.888 ( -16.184 0.928 -2.940) 16.475 6.115 ( -20.196 0.918 1.654) 20.285 7.126 ( -14.163 3.391 3.604) 15.002 7.319 ( -23.414 0.747 3.818) 23.735 7.359 ( -24.129 -0.759 3.844) 24.445 7.933 ( -9.848 1.192 -1.330) 10.008 12.317 ( 62.375 -2.946 8.498) 63.020 13.598 ( 21.677 -2.249 -11.404) 24.597 16.953 ( 19.144 12.240 -7.544) 23.942 17.409 ( 24.657 1.214 -6.408) 25.505 18.141 ( 16.642 -5.309 -1.199) 17.509 19.098 ( 2.993 -4.239 -3.755) 6.405 22.235 ( -3.516 0.066 20.259) 20.562 23.254 ( -9.361 8.494 10.457) 16.405 23.735 ( -9.912 -8.662 1.418) 13.239 24.853 ( -14.825 5.093 -5.669) 16.669 25.130 ( -18.073 -6.167 -6.650) 20.221 25.384 ( -4.242 -0.799 -8.806) 9.808 26.374 ( -17.823 -0.569 3.429) 18.159 26.993 ( 4.630 -2.228 -5.965) 7.873 27.944 ( 4.746 1.872 15.288) 16.117 28.359 ( 5.868 -9.681 10.493) 15.435 32.327 ( 8.638 13.678 5.072) 16.954 32.717 ( 13.092 -6.254 -0.958) 14.541 35.078 ( 16.198 0.290 -4.584) 16.837 35.292 ( 15.450 0.257 -6.902) 16.924 36.658 ( 6.640 -1.894 10.503) 12.569 38.705 ( -5.059 -0.582 -25.381) 25.887 41.161 ( -3.723 -0.866 18.674) 19.061 42.384 ( -4.397 0.695 -6.414) 7.808 ======================= Grid point 396 (132/245) ======================= q-point: (-0.46 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( -0.368 5.282 -2.386) 5.807 2.130 ( -3.024 5.692 -6.707) 9.302 2.850 ( -6.208 8.180 -0.753) 10.297 3.139 ( -13.597 1.053 3.050) 13.974 3.676 ( -14.681 -2.084 3.243) 15.179 3.871 ( -15.442 1.620 -3.367) 15.888 5.577 ( -14.659 0.237 -3.855) 15.159 5.733 ( -17.411 0.679 -0.310) 17.427 6.677 ( -28.082 2.815 2.308) 28.317 6.811 ( -29.148 -1.395 1.147) 29.204 7.053 ( -6.844 1.191 1.604) 7.129 7.745 ( -8.002 2.195 -2.807) 8.760 13.552 ( 59.610 -3.320 4.107) 59.844 14.062 ( 24.755 -2.070 -3.255) 25.054 17.236 ( 19.720 14.703 -8.982) 26.186 17.948 ( 20.878 -13.464 -21.562) 32.895 18.598 ( 37.510 14.180 8.264) 40.943 19.328 ( 16.487 -8.808 1.070) 18.723 22.086 ( -12.531 -0.937 8.502) 15.172 22.990 ( -14.195 8.347 10.017) 19.275 23.358 ( -31.206 -8.366 -7.071) 33.072 24.555 ( -15.430 -1.135 5.995) 16.593 24.744 ( -25.561 -8.464 -5.135) 27.411 25.379 ( 3.931 -0.159 -4.796) 6.203 26.034 ( -17.985 -2.743 4.030) 18.634 27.002 ( -3.829 3.464 -5.847) 7.801 28.090 ( 10.479 0.781 15.650) 18.851 28.563 ( 7.927 -14.374 14.031) 21.595 32.405 ( 8.025 16.262 7.894) 19.778 33.045 ( 17.260 -3.523 -2.292) 17.764 35.425 ( 19.107 0.440 -2.662) 19.297 35.622 ( 18.195 -0.391 -5.146) 18.913 36.813 ( 7.608 -2.227 7.148) 10.674 38.562 ( -10.698 -1.584 -23.859) 26.196 41.082 ( -4.951 -1.705 17.778) 18.533 42.277 ( -5.754 1.519 -7.013) 9.198 ======================= Grid point 397 (133/245) ======================= q-point: (-0.38 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -7.184 11.449 2.705) 13.784 2.007 ( -3.308 12.194 4.981) 13.581 2.725 ( -4.313 4.848 -0.981) 6.563 2.916 ( -7.466 -0.780 7.603) 10.685 3.378 ( -16.333 1.569 5.100) 17.183 3.529 ( -16.729 4.662 6.689) 18.610 5.337 ( -9.833 -1.763 -4.909) 11.131 5.455 ( -10.484 -0.239 -1.834) 10.646 6.121 ( -25.890 1.700 -0.156) 25.946 6.256 ( -27.295 -1.476 -1.036) 27.355 6.970 ( -1.776 1.336 -1.264) 2.556 7.605 ( -4.729 2.767 -4.997) 7.416 14.424 ( 24.754 -0.005 -1.456) 24.796 14.757 ( 45.115 -7.845 -1.121) 45.805 17.574 ( 24.252 16.690 -9.961) 31.079 18.358 ( 17.338 -9.473 -20.376) 28.382 19.426 ( 46.108 5.401 8.029) 47.112 19.852 ( 37.409 1.288 2.006) 37.485 21.762 ( -20.218 -1.979 -1.402) 20.363 22.434 ( -40.793 -1.339 -8.301) 41.651 22.865 ( -22.167 -6.716 7.827) 24.449 24.137 ( -33.259 -5.238 -1.788) 33.717 24.307 ( -21.374 -10.811 16.401) 29.030 25.510 ( 7.563 1.878 -3.030) 8.362 25.722 ( -13.780 -2.520 4.232) 14.634 26.826 ( -8.901 10.809 -3.952) 14.549 28.299 ( 9.425 -2.648 15.494) 18.328 28.831 ( 9.127 -19.042 17.936) 27.706 32.443 ( 5.886 18.115 10.490) 21.745 33.416 ( 19.280 0.506 -5.806) 20.142 35.793 ( 18.291 1.451 -2.601) 18.532 36.010 ( 21.009 -2.495 -3.497) 21.444 36.959 ( 5.581 -1.712 4.493) 7.366 38.285 ( -19.464 -3.010 -20.239) 28.240 40.998 ( -4.712 -2.818 16.163) 17.070 42.152 ( -5.495 2.605 -8.144) 10.165 ======================= Grid point 398 (134/245) ======================= q-point: (-0.31 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -5.187 14.928 11.122) 19.325 1.904 ( 3.271 17.406 16.715) 24.353 2.538 ( -14.516 2.493 6.529) 16.111 2.868 ( 1.537 3.662 5.960) 7.162 3.056 ( -9.513 9.411 11.171) 17.432 3.223 ( -12.638 -0.629 7.544) 14.732 5.217 ( -4.094 -2.686 -6.251) 7.941 5.334 ( -2.718 -2.169 -3.250) 4.759 5.694 ( -16.072 0.896 -2.402) 16.275 5.814 ( -17.484 -1.342 -3.578) 17.897 6.948 ( -0.028 1.238 -2.988) 3.234 7.527 ( -1.693 2.966 -7.292) 8.052 14.775 ( 12.355 1.138 -3.280) 12.834 15.570 ( 28.464 -14.661 -6.713) 32.714 17.974 ( 26.329 21.628 -14.771) 37.137 18.766 ( 18.726 -3.719 -19.525) 27.308 20.115 ( 26.284 2.400 10.110) 28.263 20.788 ( 50.608 5.011 -1.450) 50.876 21.453 ( -6.383 -4.845 -1.998) 8.259 21.648 ( -34.574 -7.062 -6.572) 35.894 22.409 ( -31.876 -13.615 6.779) 35.319 23.360 ( -48.591 -6.182 -8.380) 49.695 24.016 ( -13.066 -7.020 39.323) 42.028 25.434 ( -8.148 1.343 2.982) 8.780 25.725 ( 6.733 -0.169 -2.231) 7.095 26.572 ( -7.452 17.854 -2.927) 19.567 28.470 ( 5.008 -6.982 16.615) 18.705 29.114 ( 6.402 -23.753 21.232) 32.496 32.423 ( 2.935 18.316 12.240) 22.224 33.753 ( 15.386 5.342 -12.395) 20.467 36.086 ( 11.813 1.622 -4.090) 12.605 36.482 ( 25.131 -4.387 -3.053) 25.693 37.038 ( 1.814 -0.785 3.095) 3.673 37.833 ( -28.009 -3.326 -12.990) 31.053 40.944 ( -2.688 -4.214 14.221) 15.074 42.046 ( -3.164 3.673 -9.796) 10.930 ======================= Grid point 399 (135/245) ======================= q-point: (-0.23 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 0.000 14.684 15.615) 21.435 1.922 ( 0.000 15.302 27.334) 31.325 2.231 ( 0.000 12.734 15.238) 19.859 2.836 ( 0.000 10.807 0.430) 10.816 2.973 ( 0.000 6.124 15.452) 16.621 3.092 ( -0.000 -7.844 3.548) 8.609 5.193 ( -0.000 -1.798 -6.607) 6.847 5.343 ( -0.000 -3.369 -4.892) 5.939 5.517 ( 0.000 0.928 -3.154) 3.288 5.640 ( -0.000 -1.158 -5.080) 5.211 6.943 ( 0.000 1.038 -3.487) 3.638 7.495 ( 0.000 3.430 -8.494) 9.161 14.886 ( 0.000 2.375 -4.770) 5.329 15.966 ( -0.000 -19.829 -8.894) 21.732 18.155 ( 0.000 26.272 -21.684) 34.064 18.995 ( 0.000 0.294 -22.254) 22.256 20.332 ( 0.000 2.457 10.716) 10.994 21.170 ( -0.000 -5.024 -3.898) 6.359 21.404 ( -0.000 -2.119 -1.226) 2.448 21.805 ( -0.000 -17.987 14.130) 22.873 22.118 ( 0.000 1.546 -6.634) 6.812 22.559 ( -0.000 -10.961 -2.836) 11.322 23.915 ( -0.000 -5.542 45.548) 45.884 25.343 ( 0.000 1.246 3.872) 4.068 25.802 ( -0.000 -0.046 -3.311) 3.311 26.370 ( 0.000 23.361 -3.073) 23.563 28.570 ( -0.000 -9.555 16.488) 19.056 29.335 ( -0.000 -29.556 22.912) 37.397 32.349 ( 0.000 16.434 13.053) 20.987 33.872 ( 0.000 12.149 -18.595) 22.212 36.203 ( 0.000 0.287 -3.903) 3.914 36.917 ( -0.000 -8.189 -8.826) 12.039 37.053 ( -0.000 -0.260 2.814) 2.826 37.403 ( 0.000 0.309 -2.339) 2.360 40.946 ( -0.000 -5.750 13.007) 14.221 41.991 ( 0.000 4.646 -10.790) 11.748 ======================= Grid point 406 (136/245) ======================= q-point: (-0.69 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 7.119 0.000 -10.371) 12.579 2.131 ( 3.379 0.000 -18.271) 18.581 3.322 ( -8.634 -0.000 -6.124) 10.585 3.503 ( -0.956 -0.000 -6.440) 6.511 4.160 ( -10.678 -0.000 2.071) 10.877 4.361 ( -10.024 -0.000 -13.963) 17.188 6.196 ( -13.515 -0.000 -1.319) 13.579 6.482 ( -15.103 -0.000 4.397) 15.730 7.434 ( -15.018 -0.000 4.537) 15.688 7.743 ( -15.654 -0.000 5.603) 16.626 7.761 ( -17.619 -0.000 4.047) 18.078 8.127 ( -8.653 -0.000 -0.177) 8.655 11.165 ( 49.723 0.000 11.404) 51.014 13.195 ( 16.172 0.000 -21.965) 27.276 16.549 ( 25.689 0.000 4.123) 26.018 17.399 ( -3.135 -0.000 -15.309) 15.627 17.575 ( 20.435 0.000 7.225) 21.675 19.141 ( -6.088 -0.000 -9.631) 11.394 22.263 ( 0.798 0.000 26.652) 26.663 23.515 ( -9.089 -0.000 8.044) 12.138 23.651 ( 6.143 0.000 11.898) 13.390 25.168 ( -7.600 -0.000 -12.138) 14.321 25.302 ( -7.586 -0.000 -4.600) 8.872 25.536 ( -10.415 -0.000 -14.363) 17.742 26.751 ( -18.536 -0.000 1.696) 18.614 26.837 ( 5.792 0.000 -2.766) 6.419 27.896 ( 2.432 0.000 13.280) 13.501 28.188 ( 2.919 0.000 8.132) 8.640 32.317 ( 11.137 0.000 1.788) 11.280 32.414 ( 4.616 0.000 0.190) 4.620 34.811 ( 11.076 0.000 -7.007) 13.106 35.031 ( 11.135 0.000 -8.677) 14.117 36.540 ( 3.532 0.000 13.437) 13.893 38.768 ( -2.115 -0.000 -25.795) 25.882 41.213 ( -2.269 -0.000 19.015) 19.150 42.456 ( -2.435 -0.000 -6.171) 6.634 ======================= Grid point 408 (137/245) ======================= q-point: (-0.62 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 6.120 1.076 -5.807) 8.505 2.181 ( 1.543 0.403 -14.907) 14.992 3.129 ( -9.742 3.071 -3.298) 10.734 3.398 ( -9.782 0.126 -1.752) 9.938 3.921 ( -13.424 -0.679 3.946) 14.009 4.138 ( -12.480 -0.456 -12.903) 17.957 5.897 ( -16.264 0.451 -2.887) 16.525 6.122 ( -20.271 0.281 2.272) 20.400 7.155 ( -13.914 1.398 3.375) 14.385 7.327 ( -25.283 0.531 3.443) 25.522 7.350 ( -23.032 -0.685 4.461) 23.470 7.942 ( -9.584 0.405 -1.513) 9.712 12.293 ( 62.516 -1.028 8.650) 63.120 13.579 ( 22.079 -0.877 -11.167) 24.758 17.058 ( 25.470 5.028 -10.433) 27.979 17.419 ( 8.830 0.422 -12.907) 15.644 18.088 ( 29.562 -2.841 8.394) 30.862 19.067 ( -0.235 -1.232 -3.892) 4.089 22.237 ( -3.997 0.210 20.180) 20.573 23.331 ( -9.032 4.012 8.281) 12.894 23.656 ( -9.615 -4.187 3.444) 11.038 24.905 ( -16.490 3.199 -11.797) 20.526 25.064 ( -18.055 -3.994 0.072) 18.492 25.381 ( -4.629 0.042 -11.114) 12.039 26.373 ( -19.338 0.058 3.267) 19.612 26.972 ( 6.156 -1.043 -4.731) 7.833 27.965 ( 5.529 1.219 16.579) 17.519 28.277 ( 4.764 -3.994 10.197) 11.943 32.482 ( 9.783 12.503 3.082) 16.172 32.622 ( 12.988 -9.778 0.438) 16.263 35.080 ( 16.194 0.145 -4.492) 16.806 35.293 ( 15.311 -0.007 -6.633) 16.686 36.642 ( 6.559 -0.687 10.473) 12.376 38.700 ( -5.270 -0.204 -25.479) 26.019 41.154 ( -3.886 -0.294 18.740) 19.141 42.390 ( -4.227 0.239 -6.494) 7.753 ======================= Grid point 409 (138/245) ======================= q-point: (-0.54 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 1.621 3.346 -2.508) 4.485 2.178 ( -0.962 2.670 -7.488) 8.007 2.930 ( -7.507 5.210 -1.111) 9.205 3.146 ( -14.607 0.200 3.564) 15.037 3.658 ( -13.874 -0.964 5.086) 14.809 3.881 ( -14.074 0.261 -6.507) 15.508 5.581 ( -15.148 0.488 -3.326) 15.517 5.738 ( -17.921 0.162 0.901) 17.945 6.710 ( -28.571 2.691 2.390) 28.797 6.791 ( -29.515 -1.938 1.555) 29.619 7.065 ( -6.678 0.754 1.365) 6.858 7.764 ( -7.859 1.125 -3.105) 8.525 13.521 ( 60.019 -1.819 4.894) 60.245 14.041 ( 24.177 -1.393 -2.593) 24.356 17.412 ( 20.050 15.581 -13.593) 28.802 17.779 ( 19.226 -15.391 -20.258) 31.889 18.756 ( 41.418 12.103 8.155) 43.914 19.223 ( 15.450 -8.653 3.212) 17.997 22.080 ( -12.604 -0.192 8.547) 15.230 23.080 ( -15.883 7.009 7.702) 18.992 23.269 ( -30.815 -6.919 -6.386) 32.222 24.545 ( -19.755 -0.678 -4.124) 20.193 24.661 ( -25.309 -5.246 6.393) 26.626 25.379 ( 4.578 -0.023 -6.261) 7.757 26.012 ( -17.796 -1.164 4.082) 18.295 27.029 ( -1.124 1.275 -3.806) 4.169 28.114 ( 10.610 3.033 17.141) 20.386 28.421 ( 6.124 -9.744 12.954) 17.328 32.591 ( 9.250 14.860 6.523) 18.680 32.975 ( 17.393 -7.970 -1.199) 19.169 35.430 ( 19.520 0.458 -2.630) 19.702 35.616 ( 17.364 -0.531 -4.948) 18.063 36.793 ( 7.861 -1.234 6.961) 10.573 38.547 ( -11.150 -0.850 -23.813) 26.308 41.068 ( -5.178 -0.845 17.853) 18.608 42.291 ( -5.480 0.775 -7.198) 9.080 ======================= Grid point 410 (139/245) ======================= q-point: (-0.46 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( -4.025 9.065 0.651) 9.940 2.124 ( -0.886 7.640 2.700) 8.152 2.772 ( -7.731 3.515 1.254) 8.584 2.901 ( -8.293 -2.061 7.527) 11.388 3.391 ( -13.310 1.307 4.833) 14.220 3.582 ( -15.210 3.658 4.410) 16.254 5.322 ( -10.842 -0.718 -3.310) 11.359 5.449 ( -11.494 -0.873 -0.441) 11.535 6.143 ( -26.403 2.052 -0.168) 26.483 6.236 ( -27.382 -2.038 -0.715) 27.467 6.984 ( -1.817 1.046 -1.542) 2.603 7.631 ( -4.906 1.629 -5.168) 7.310 14.435 ( 25.517 2.020 -0.396) 25.600 14.662 ( 42.202 -8.193 -0.385) 42.991 17.759 ( 25.124 15.052 -14.550) 32.703 18.240 ( 20.719 -10.613 -19.999) 30.690 19.492 ( 37.079 5.547 9.301) 38.628 19.857 ( 46.710 -0.377 2.134) 46.760 21.742 ( -21.803 -1.492 -2.439) 21.989 22.419 ( -44.726 -1.060 -11.705) 46.244 22.802 ( -23.711 -4.112 8.557) 25.541 24.060 ( -34.897 -6.921 -11.809) 37.485 24.226 ( -18.728 -3.805 31.094) 36.497 25.527 ( 8.930 1.034 -3.766) 9.746 25.700 ( -13.895 -1.293 4.187) 14.570 26.923 ( -6.644 5.974 -1.333) 9.033 28.298 ( 8.798 2.508 16.195) 18.601 28.635 ( 8.122 -14.962 16.443) 23.668 32.658 ( 7.089 18.109 9.613) 21.693 33.376 ( 18.712 -6.741 -3.939) 20.276 35.817 ( 19.850 2.512 -2.945) 20.224 35.977 ( 19.159 -3.027 -3.923) 19.789 36.942 ( 6.124 -1.144 4.218) 7.523 38.256 ( -19.809 -1.898 -19.770) 28.051 40.973 ( -4.931 -1.571 16.214) 17.019 42.176 ( -5.257 1.530 -8.391) 10.019 ======================= Grid point 411 (140/245) ======================= q-point: (-0.38 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -4.132 14.353 6.695) 16.368 2.086 ( 4.233 13.298 12.301) 18.603 2.551 ( -13.251 0.520 7.362) 15.168 2.871 ( 1.983 -3.509 6.111) 7.321 3.139 ( -9.572 5.503 4.460) 11.908 3.272 ( -12.045 7.852 13.532) 19.744 5.183 ( -4.538 -2.935 -4.411) 6.976 5.306 ( -4.177 -2.602 -1.585) 5.170 5.706 ( -16.302 1.147 -2.654) 16.556 5.796 ( -17.367 -1.664 -3.374) 17.770 6.963 ( -0.087 1.158 -3.378) 3.573 7.554 ( -2.005 1.717 -7.160) 7.631 14.787 ( 12.707 1.184 -2.220) 12.954 15.407 ( 24.901 -12.999 -6.990) 28.946 18.202 ( 27.878 17.350 -17.815) 37.357 18.719 ( 22.081 -4.425 -19.812) 29.994 20.141 ( 28.667 2.113 11.099) 30.813 20.853 ( 46.768 6.081 -2.390) 47.222 21.382 ( -7.938 -7.380 -2.686) 11.166 21.580 ( -35.237 -4.161 -8.835) 36.565 22.268 ( -34.911 -10.479 7.946) 37.305 23.282 ( -48.284 -6.475 -10.958) 49.933 23.970 ( -9.229 -1.833 45.176) 46.145 25.449 ( -8.307 1.094 3.350) 9.024 25.723 ( 7.228 -0.263 -3.139) 7.885 26.740 ( -6.011 11.016 -0.226) 12.551 28.419 ( 4.113 -1.330 17.327) 17.858 28.877 ( 6.017 -17.625 18.929) 26.555 32.651 ( 3.621 20.321 11.665) 23.709 33.746 ( 14.058 -5.760 -8.339) 17.330 36.120 ( 12.268 4.057 -5.813) 14.169 36.427 ( 24.048 -5.052 -4.248) 24.937 37.030 ( 2.296 -0.610 2.973) 3.806 37.801 ( -26.987 -2.154 -12.232) 29.708 40.906 ( -2.863 -2.411 14.359) 14.839 42.080 ( -3.113 2.250 -9.909) 10.627 ======================= Grid point 412 (141/245) ======================= q-point: (-0.31 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 0.000 15.843 10.982) 19.277 2.110 ( 0.000 16.900 22.755) 28.345 2.324 ( 0.000 3.053 7.496) 8.094 2.965 ( 0.000 10.816 1.382) 10.904 2.987 ( -0.000 -10.297 5.456) 11.653 3.074 ( 0.000 11.095 18.202) 21.317 5.162 ( -0.000 -3.376 -5.554) 6.500 5.298 ( -0.000 -4.260 -2.597) 4.989 5.529 ( 0.000 1.071 -3.546) 3.704 5.626 ( -0.000 -1.298 -4.934) 5.101 6.956 ( 0.000 1.187 -3.867) 4.045 7.526 ( 0.000 1.985 -8.177) 8.415 14.907 ( 0.000 1.350 -4.372) 4.576 15.747 ( -0.000 -17.571 -9.209) 19.838 18.434 ( 0.000 21.363 -24.309) 32.362 18.995 ( -0.000 -0.386 -22.829) 22.833 20.364 ( 0.000 2.899 9.876) 10.293 21.103 ( -0.000 -6.312 -4.442) 7.718 21.389 ( -0.000 -0.596 -0.465) 0.756 21.615 ( -0.000 -14.422 15.006) 20.812 22.133 ( 0.000 1.045 -5.417) 5.517 22.423 ( -0.000 -11.623 -7.401) 13.779 23.885 ( -0.000 -0.518 49.110) 49.113 25.357 ( 0.000 1.213 3.642) 3.839 25.801 ( -0.000 -0.078 -3.702) 3.702 26.597 ( 0.000 15.660 -0.930) 15.688 28.478 ( -0.000 -5.315 18.269) 19.027 29.049 ( -0.000 -20.524 20.801) 29.222 32.567 ( 0.000 20.404 12.436) 23.895 33.924 ( -0.000 -2.446 -12.879) 13.109 36.224 ( 0.000 3.268 -6.624) 7.387 36.826 ( -0.000 -7.423 -9.982) 12.440 37.050 ( -0.000 -0.239 2.845) 2.855 37.407 ( 0.000 0.286 -2.408) 2.425 40.894 ( -0.000 -3.386 13.479) 13.898 42.035 ( 0.000 2.920 -10.816) 11.203 ======================= Grid point 421 (142/245) ======================= q-point: (-0.62 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 2.361 0.000 -2.558) 3.481 2.193 ( -0.271 -0.000 -7.771) 7.775 2.962 ( -8.018 -0.000 -1.264) 8.117 3.146 ( -15.034 -0.000 3.692) 15.480 3.653 ( -13.411 -0.000 6.027) 14.703 3.882 ( -13.656 -0.000 -7.831) 15.742 5.585 ( -15.273 -0.000 -3.134) 15.591 5.739 ( -18.166 -0.000 1.343) 18.216 6.730 ( -28.607 -0.000 2.428) 28.710 6.775 ( -29.793 -0.000 1.711) 29.842 7.069 ( -6.626 -0.000 1.268) 6.746 7.771 ( -7.817 -0.000 -3.210) 8.451 13.511 ( 60.213 0.000 5.185) 60.435 14.033 ( 23.893 0.000 -2.386) 24.011 17.585 ( 25.441 0.000 -18.161) 31.258 17.607 ( 13.566 0.000 -16.650) 21.477 18.840 ( 45.891 0.000 7.861) 46.559 19.161 ( 11.805 0.000 4.052) 12.481 22.080 ( -12.688 -0.000 8.591) 15.323 23.135 ( -13.418 -0.000 8.827) 16.061 23.215 ( -33.642 -0.000 -8.079) 34.599 24.540 ( -22.563 -0.000 -13.225) 26.153 24.630 ( -23.907 -0.000 15.950) 28.739 25.378 ( 4.729 0.000 -6.782) 8.268 26.006 ( -17.742 -0.000 4.116) 18.214 27.035 ( -0.180 -0.000 -2.958) 2.964 28.139 ( 11.548 0.000 18.333) 21.667 28.357 ( 4.717 0.000 11.686) 12.602 32.702 ( 8.744 0.000 6.504) 10.897 32.904 ( 18.280 0.000 -1.232) 18.321 35.433 ( 19.733 0.000 -2.614) 19.905 35.613 ( 17.029 0.000 -4.868) 17.711 36.786 ( 7.959 0.000 6.887) 10.525 38.543 ( -11.302 -0.000 -23.799) 26.347 41.063 ( -5.244 -0.000 17.870) 18.623 42.295 ( -5.394 -0.000 -7.257) 9.042 ======================= Grid point 423 (143/245) ======================= q-point: (-0.54 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -1.746 3.659 -0.892) 4.151 2.181 ( 0.169 2.336 1.472) 2.767 2.811 ( -8.081 3.140 2.519) 9.028 2.869 ( -11.358 -3.018 8.015) 14.225 3.407 ( -11.349 1.068 5.777) 12.779 3.608 ( -13.752 0.968 1.772) 13.900 5.319 ( -11.459 0.000 -2.092) 11.649 5.439 ( -12.217 -0.575 0.285) 12.234 6.166 ( -26.895 1.615 -0.178) 26.944 6.212 ( -27.241 -1.639 -0.523) 27.295 6.993 ( -1.850 0.397 -1.722) 2.559 7.643 ( -5.043 0.529 -5.254) 7.301 14.468 ( 23.255 3.067 0.542) 23.463 14.578 ( 43.221 -5.396 -0.381) 43.558 17.914 ( 23.262 10.487 -17.944) 31.194 18.120 ( 24.955 -9.026 -18.601) 32.407 19.542 ( 29.156 2.562 10.565) 31.117 19.849 ( 54.764 -0.611 1.608) 54.791 21.729 ( -23.133 -0.597 -2.969) 23.331 22.411 ( -46.044 -0.291 -13.613) 48.015 22.770 ( -25.330 -1.425 8.925) 26.894 24.000 ( -34.289 -2.839 -13.191) 36.848 24.201 ( -18.193 -0.941 34.891) 39.360 25.535 ( 9.853 0.317 -4.185) 10.710 25.691 ( -14.250 -0.378 4.222) 14.867 26.967 ( -5.597 1.809 0.444) 5.899 28.355 ( 9.951 6.758 16.761) 20.631 28.483 ( 6.408 -10.694 14.680) 19.260 32.834 ( 7.594 10.096 9.602) 15.868 33.288 ( 18.174 -6.308 -3.153) 19.494 35.845 ( 22.351 1.797 -2.771) 22.594 35.946 ( 16.677 -1.934 -4.496) 17.380 36.933 ( 6.427 -0.398 4.062) 7.613 38.241 ( -19.945 -0.642 -19.559) 27.942 40.961 ( -4.998 -0.498 16.191) 16.952 42.188 ( -5.166 0.501 -8.485) 9.947 ======================= Grid point 424 (144/245) ======================= q-point: (-0.46 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( -2.704 10.146 2.518) 10.798 2.194 ( 4.003 4.808 8.509) 10.562 2.576 ( -11.713 4.752 10.909) 16.697 2.795 ( -1.920 -8.717 7.260) 11.506 3.202 ( -7.506 4.849 3.230) 9.502 3.355 ( -9.623 5.340 12.213) 16.440 5.155 ( -5.498 -1.644 -1.623) 5.964 5.277 ( -5.107 -2.052 -1.111) 5.615 5.720 ( -16.671 1.153 -2.915) 16.964 5.777 ( -16.986 -1.489 -3.201) 17.349 6.974 ( -0.121 0.706 -3.706) 3.775 7.568 ( -2.277 0.744 -7.048) 7.444 14.803 ( 12.515 1.322 -0.580) 12.598 15.281 ( 23.129 -8.173 -8.083) 25.828 18.370 ( 27.646 11.141 -18.932) 35.311 18.666 ( 25.330 -4.498 -19.982) 32.575 20.162 ( 30.141 1.285 11.911) 32.434 20.924 ( 47.576 5.572 -2.833) 47.985 21.292 ( -14.066 -7.309 -3.252) 16.182 21.552 ( -33.997 -1.029 -11.234) 35.820 22.171 ( -36.890 -5.941 9.155) 38.471 23.222 ( -47.189 -3.661 -11.700) 48.755 23.960 ( -7.415 -0.308 47.533) 48.109 25.459 ( -8.393 0.641 3.650) 9.175 25.720 ( 7.553 -0.187 -3.778) 8.447 26.831 ( -5.420 4.856 2.421) 7.669 28.442 ( 3.687 5.021 16.187) 17.344 28.696 ( 6.095 -13.593 17.316) 22.842 32.873 ( 4.206 16.571 11.697) 20.715 33.646 ( 12.548 -9.810 -5.569) 16.873 36.174 ( 12.187 4.742 -6.327) 14.527 36.368 ( 24.047 -4.845 -5.555) 25.151 37.025 ( 2.604 -0.330 2.903) 3.914 37.783 ( -26.280 -1.035 -11.883) 28.860 40.886 ( -2.904 -1.075 14.297) 14.629 42.099 ( -3.123 1.062 -9.879) 10.415 ======================= Grid point 425 (145/245) ======================= q-point: (-0.38 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.000 14.043 6.351) 15.413 2.308 ( 0.000 16.932 18.506) 25.083 2.313 ( -0.000 -4.037 6.512) 7.661 2.854 ( -0.000 -12.460 7.798) 14.699 3.080 ( 0.000 8.672 1.363) 8.779 3.205 ( 0.000 10.193 17.377) 20.146 5.121 ( -0.000 -3.415 -2.713) 4.361 5.251 ( -0.000 -3.566 -1.694) 3.948 5.542 ( 0.000 1.035 -3.948) 4.081 5.611 ( -0.000 -1.200 -4.732) 4.882 6.969 ( 0.000 0.944 -4.280) 4.383 7.542 ( 0.000 0.918 -7.868) 7.921 14.921 ( 0.000 1.191 -2.529) 2.796 15.569 ( -0.000 -12.700 -10.917) 16.747 18.643 ( 0.000 14.427 -23.984) 27.989 18.986 ( -0.000 -1.094 -23.675) 23.701 20.396 ( 0.000 2.584 9.190) 9.547 21.033 ( -0.000 -5.260 -4.628) 7.006 21.386 ( 0.000 0.019 0.003) 0.019 21.477 ( -0.000 -9.190 15.571) 18.081 22.142 ( 0.000 0.552 -4.530) 4.564 22.305 ( -0.000 -8.301 -11.284) 14.008 23.889 ( 0.000 0.749 50.868) 50.874 25.370 ( 0.000 0.885 3.479) 3.589 25.800 ( -0.000 -0.077 -4.043) 4.043 26.734 ( 0.000 8.190 2.143) 8.466 28.457 ( 0.000 1.710 17.433) 17.516 28.843 ( -0.000 -15.445 18.309) 23.954 32.807 ( 0.000 20.023 12.313) 23.506 33.840 ( -0.000 -10.621 -7.923) 13.251 36.272 ( 0.000 4.493 -7.681) 8.899 36.747 ( -0.000 -5.947 -11.893) 13.297 37.047 ( -0.000 -0.167 2.870) 2.874 37.410 ( 0.000 0.199 -2.464) 2.472 40.865 ( -0.000 -1.722 13.471) 13.580 42.061 ( 0.000 1.597 -10.633) 10.752 ======================= Grid point 436 (146/245) ======================= q-point: (-0.54 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( -1.726 -0.000 0.065) 1.727 2.214 ( 2.269 0.000 8.123) 8.434 2.639 ( -8.497 -0.000 13.125) 15.636 2.710 ( -4.977 -0.000 7.058) 8.636 3.234 ( -6.727 -0.000 3.124) 7.416 3.386 ( -8.520 -0.000 11.013) 13.924 5.146 ( -6.034 -0.000 -0.121) 6.035 5.264 ( -5.387 -0.000 -1.243) 5.528 5.728 ( -17.013 -0.000 -3.077) 17.289 5.767 ( -16.621 -0.000 -3.084) 16.905 6.978 ( -0.132 -0.000 -3.834) 3.836 7.573 ( -2.381 -0.000 -7.010) 7.404 14.812 ( 12.276 0.000 0.377) 12.282 15.231 ( 22.706 0.000 -8.844) 24.368 18.442 ( 26.654 0.000 -19.119) 32.802 18.632 ( 27.351 0.000 -20.091) 33.937 20.169 ( 30.638 0.000 12.237) 32.991 20.962 ( 51.842 0.000 -2.871) 51.922 21.242 ( -20.271 -0.000 -3.566) 20.583 21.547 ( -33.500 -0.000 -12.351) 35.705 22.136 ( -37.578 -0.000 9.746) 38.821 23.200 ( -46.706 -0.000 -11.856) 48.187 23.958 ( -6.860 -0.000 48.189) 48.675 25.463 ( -8.429 -0.000 3.772) 9.234 25.719 ( 7.673 0.000 -4.013) 8.659 26.858 ( -5.277 -0.000 3.505) 6.334 28.503 ( 2.194 0.000 14.079) 14.249 28.586 ( 7.542 0.000 18.188) 19.690 32.984 ( 4.364 0.000 12.282) 13.035 33.574 ( 12.001 0.000 -5.149) 13.060 36.209 ( 10.756 0.000 -5.990) 12.311 36.332 ( 25.503 0.000 -6.477) 26.312 37.023 ( 2.709 0.000 2.881) 3.954 37.777 ( -26.031 -0.000 -11.785) 28.575 40.880 ( -2.909 -0.000 14.257) 14.551 42.106 ( -3.131 -0.000 -9.855) 10.341 ======================= Grid point 438 (147/245) ======================= q-point: (-0.46 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 0.000 6.919 1.821) 7.155 2.258 ( -0.000 -3.823 9.351) 10.102 2.494 ( 0.000 14.290 15.030) 20.739 2.703 ( -0.000 -12.714 10.298) 16.362 3.154 ( 0.000 3.521 1.045) 3.672 3.290 ( 0.000 3.863 15.718) 16.186 5.091 ( -0.000 -1.407 0.320) 1.443 5.220 ( -0.000 -1.451 -2.132) 2.579 5.551 ( 0.000 0.531 -4.277) 4.310 5.600 ( -0.000 -0.592 -4.514) 4.553 6.977 ( 0.000 0.363 -4.544) 4.558 7.549 ( 0.000 0.252 -7.711) 7.715 14.933 ( 0.000 0.661 -0.580) 0.879 15.464 ( -0.000 -4.822 -12.754) 13.635 18.761 ( 0.000 5.558 -22.511) 23.187 18.972 ( -0.000 -0.985 -24.873) 24.893 20.419 ( 0.000 1.092 8.828) 8.896 20.989 ( -0.000 -2.082 -4.680) 5.122 21.387 ( 0.000 0.064 0.222) 0.231 21.405 ( -0.000 -3.141 15.852) 16.160 22.146 ( 0.000 0.166 -4.066) 4.070 22.238 ( -0.000 -2.978 -13.623) 13.945 23.896 ( 0.000 0.388 51.654) 51.655 25.377 ( 0.000 0.325 3.398) 3.413 25.800 ( -0.000 -0.032 -4.243) 4.243 26.794 ( 0.000 2.405 4.294) 4.922 28.506 ( 0.000 5.236 15.266) 16.139 28.693 ( -0.000 -9.392 17.838) 20.159 32.996 ( 0.000 10.353 12.961) 16.588 33.720 ( -0.000 -7.465 -5.996) 9.575 36.315 ( 0.000 2.291 -7.201) 7.557 36.695 ( -0.000 -2.572 -13.780) 14.019 37.046 ( -0.000 -0.060 2.883) 2.884 37.411 ( 0.000 0.071 -2.496) 2.497 40.852 ( -0.000 -0.523 13.397) 13.407 42.073 ( 0.000 0.508 -10.501) 10.513 ======================= Grid point 525 (148/245) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.000 0.000 18.561) 18.561 2.276 ( 0.000 0.000 3.225) 3.225 2.281 ( 0.000 0.000 29.478) 29.478 2.741 ( 0.000 0.000 17.653) 17.653 3.147 ( 0.000 0.000 13.274) 13.274 3.218 ( 0.000 0.000 -2.775) 2.775 5.075 ( 0.000 0.000 -6.114) 6.114 5.217 ( 0.000 0.000 -8.224) 8.224 5.450 ( 0.000 0.000 -2.151) 2.151 5.551 ( 0.000 0.000 -5.493) 5.493 6.878 ( 0.000 0.000 -1.004) 1.004 7.213 ( 0.000 0.000 -8.704) 8.704 14.888 ( 0.000 0.000 8.443) 8.443 16.000 ( 0.000 0.000 -25.494) 25.494 17.586 ( 0.000 0.000 10.122) 10.122 18.547 ( 0.000 0.000 -20.816) 20.816 20.571 ( 0.000 0.000 15.422) 15.422 21.181 ( 0.000 0.000 -3.147) 3.147 21.454 ( 0.000 0.000 -1.425) 1.425 21.841 ( 0.000 0.000 -12.850) 12.850 22.564 ( 0.000 0.000 11.353) 11.353 22.772 ( 0.000 0.000 5.123) 5.123 24.823 ( 0.000 0.000 20.839) 20.839 25.419 ( 0.000 0.000 5.581) 5.581 25.586 ( 0.000 0.000 -2.185) 2.185 25.736 ( 0.000 0.000 -3.957) 3.957 29.081 ( 0.000 0.000 17.972) 17.972 30.207 ( 0.000 0.000 -14.617) 14.617 32.471 ( 0.000 0.000 12.772) 12.772 32.954 ( 0.000 0.000 -1.742) 1.742 36.295 ( 0.000 0.000 3.871) 3.871 36.887 ( 0.000 0.000 -13.021) 13.021 37.123 ( 0.000 0.000 3.563) 3.563 37.343 ( 0.000 0.000 -3.086) 3.086 41.285 ( 0.000 0.000 5.609) 5.609 41.681 ( 0.000 0.000 -6.508) 6.508 ======================= Grid point 526 (149/245) ======================= q-point: ( 0.08 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 5.120 -1.017 15.922) 16.756 1.918 ( -16.029 -3.497 25.482) 30.307 2.474 ( 2.972 -1.059 -1.220) 3.383 3.007 ( 21.095 -0.712 19.669) 28.851 3.096 ( -2.972 -2.072 10.089) 10.720 3.312 ( 8.052 0.301 -2.195) 8.351 5.110 ( 4.138 -0.168 -6.476) 7.688 5.223 ( 1.699 -0.371 -6.850) 7.067 5.640 ( 17.903 -0.074 -1.239) 17.946 5.752 ( 19.299 0.030 -4.049) 19.719 6.889 ( 1.308 -0.226 -0.150) 1.336 7.253 ( 3.717 -1.213 -8.336) 9.208 14.759 ( -12.966 -0.133 5.499) 14.085 15.618 ( -35.103 1.603 -19.206) 40.046 17.502 ( -8.942 -2.153 10.876) 14.244 18.457 ( -8.907 0.657 -19.472) 21.423 20.240 ( -28.389 -0.681 10.487) 30.272 20.695 ( -56.212 -0.239 -1.744) 56.240 21.562 ( 8.178 1.121 0.653) 8.280 21.726 ( 27.503 1.424 -4.796) 27.955 23.049 ( 23.726 8.453 8.073) 26.449 23.321 ( 45.390 -2.440 -1.442) 45.478 24.872 ( 4.930 5.287 13.817) 15.594 25.354 ( -3.707 -4.985 0.005) 6.212 25.751 ( 10.112 2.688 1.519) 10.573 25.833 ( 11.384 -8.670 -1.051) 14.348 28.987 ( -8.767 1.769 17.476) 19.632 30.039 ( -13.926 7.540 -11.601) 19.631 32.430 ( -3.386 0.313 13.945) 14.353 32.961 ( -2.753 -9.463 -2.824) 10.252 36.139 ( -14.228 1.042 2.532) 14.489 36.504 ( -26.414 1.030 -6.074) 27.123 37.150 ( 1.809 0.285 5.309) 5.616 37.664 ( 20.295 0.785 -12.508) 23.852 41.311 ( 3.082 1.481 7.218) 7.987 41.744 ( 5.681 -1.361 -6.757) 8.932 ======================= Grid point 527 (150/245) ======================= q-point: ( 0.15 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 1.061 -0.005 13.749) 13.790 1.779 ( -1.004 -8.372 12.154) 14.793 2.522 ( 2.066 -3.027 0.521) 3.702 3.038 ( -1.167 -1.624 5.232) 5.601 3.449 ( 19.065 0.439 6.665) 20.201 3.513 ( 12.870 -1.275 -0.959) 12.969 5.251 ( 10.136 0.212 -6.856) 12.239 5.316 ( 7.816 -1.684 -5.117) 9.492 6.102 ( 28.077 -0.342 1.997) 28.150 6.240 ( 28.987 -0.281 -1.498) 29.027 6.943 ( 4.366 -0.529 2.052) 4.853 7.373 ( 7.658 -1.940 -7.256) 10.727 14.405 ( -22.744 -0.129 -0.447) 22.748 14.765 ( -48.901 -0.153 -8.898) 49.705 17.285 ( -13.798 -1.456 11.357) 17.930 18.204 ( -15.127 3.272 -18.210) 23.898 19.478 ( -60.605 -0.373 6.717) 60.978 19.717 ( -25.791 -3.083 -2.230) 26.070 21.900 ( 23.241 2.091 4.780) 23.820 22.367 ( 35.138 1.745 -7.403) 35.952 23.388 ( 15.221 7.070 14.586) 22.236 24.113 ( 33.567 0.091 -7.394) 34.372 24.896 ( 0.985 6.212 6.015) 8.703 25.340 ( -1.589 -5.148 -4.504) 7.022 25.992 ( 17.999 6.523 4.797) 19.737 26.207 ( 18.002 -12.187 -2.110) 21.842 28.738 ( -14.730 2.335 16.319) 22.107 29.637 ( -20.483 9.747 -6.618) 23.629 32.358 ( -4.295 -1.921 14.639) 15.376 32.934 ( -6.154 -10.171 -3.656) 12.437 35.788 ( -19.904 0.982 0.173) 19.929 35.978 ( -26.418 0.504 -4.418) 26.790 37.156 ( -1.116 1.088 8.519) 8.660 37.986 ( 12.936 1.518 -18.831) 22.897 41.382 ( 4.928 1.838 10.399) 11.654 41.897 ( 8.380 -1.600 -7.163) 11.140 ======================= Grid point 528 (151/245) ======================= q-point: ( 0.23 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -1.240 -2.561 1.401) 3.171 1.821 ( -1.278 -5.400 -0.554) 5.576 2.618 ( 5.843 -5.073 4.945) 9.183 3.086 ( 4.635 -3.248 0.197) 5.663 3.716 ( 12.464 1.964 -3.901) 13.207 3.823 ( 14.630 -0.521 -0.317) 14.643 5.491 ( 14.899 0.760 -4.821) 15.678 5.570 ( 16.377 -3.603 -5.447) 17.631 6.686 ( 29.504 -1.058 5.857) 30.098 6.833 ( 30.265 -0.581 0.705) 30.278 7.082 ( 10.064 -0.649 4.307) 10.966 7.570 ( 11.131 -2.100 -5.885) 12.765 13.720 ( -52.045 2.237 1.348) 52.110 13.946 ( -29.136 -2.276 -6.900) 30.029 16.980 ( -18.488 -0.949 8.683) 20.447 17.861 ( -17.042 5.679 -20.668) 27.384 18.428 ( -44.489 -6.383 14.872) 47.341 19.333 ( -15.512 0.167 -13.146) 20.334 22.367 ( 24.547 2.954 10.370) 26.811 22.951 ( 21.541 -2.364 3.331) 21.924 23.632 ( 16.441 5.802 8.848) 19.552 24.603 ( 16.827 2.064 -11.402) 20.430 24.867 ( -1.090 0.369 5.741) 5.855 25.357 ( 2.697 0.812 -7.044) 7.586 26.321 ( 18.114 6.570 5.333) 19.993 26.613 ( 16.523 -7.092 -5.286) 18.741 28.421 ( -15.568 1.150 15.196) 21.786 29.178 ( -20.189 7.888 -3.612) 21.974 32.286 ( -4.514 -2.981 13.772) 14.796 32.838 ( -8.607 -6.834 -3.348) 11.489 35.381 ( -20.786 0.831 -2.377) 20.938 35.482 ( -24.047 -1.205 -5.415) 24.678 37.097 ( -3.745 1.799 11.922) 12.625 38.161 ( 6.464 1.515 -22.254) 23.224 41.470 ( 4.759 1.489 13.129) 14.044 42.068 ( 7.880 -1.210 -7.543) 10.975 ======================= Grid point 529 (152/245) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( -8.400 -0.881 -8.538) 12.009 1.782 ( -4.978 -4.052 -11.230) 12.935 2.810 ( 9.894 -5.929 5.191) 12.649 3.225 ( 6.294 -3.710 -3.914) 8.288 3.943 ( 11.849 1.499 -4.177) 12.653 4.066 ( 10.683 1.210 -5.107) 11.903 5.824 ( 19.057 0.816 -2.393) 19.224 5.968 ( 21.204 -4.351 -4.850) 22.182 7.162 ( 16.715 -2.193 11.097) 20.183 7.380 ( 24.637 0.180 2.948) 24.814 7.413 ( 23.933 -1.263 3.086) 24.164 7.817 ( 12.508 -1.778 -4.769) 13.504 12.646 ( -54.474 3.555 9.723) 55.449 13.393 ( -28.635 0.416 -14.323) 32.020 16.594 ( -20.594 -5.353 7.076) 22.424 17.447 ( -20.052 8.666 -11.289) 24.589 17.924 ( -14.194 -10.918 6.590) 19.082 19.087 ( -8.902 3.413 -17.769) 20.165 22.756 ( 15.559 5.733 19.849) 25.864 23.234 ( 8.007 -9.267 18.387) 22.092 23.975 ( 18.520 5.984 -3.436) 19.764 24.758 ( 3.288 0.849 -1.172) 3.593 24.893 ( 2.291 -3.234 -8.448) 9.331 25.435 ( 6.031 4.709 -10.186) 12.740 26.588 ( 12.547 6.098 5.007) 14.822 26.892 ( 9.442 0.770 -6.163) 11.302 28.166 ( -9.613 -1.783 14.109) 17.166 28.785 ( -15.964 4.404 -1.916) 16.670 32.215 ( -4.307 -2.417 11.981) 12.959 32.686 ( -9.544 -3.124 -2.730) 10.407 34.980 ( -19.239 0.571 -4.781) 19.833 35.075 ( -18.404 -2.650 -7.536) 20.063 37.004 ( -4.276 1.967 15.189) 15.901 38.240 ( 2.796 1.150 -24.181) 24.369 41.543 ( 3.322 0.976 14.892) 15.289 42.207 ( 5.641 -0.731 -7.922) 9.753 ======================= Grid point 530 (153/245) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( -12.158 0.369 -14.174) 18.678 1.700 ( -4.815 -2.685 -19.730) 20.485 3.036 ( 9.193 -4.824 1.291) 10.461 3.338 ( 2.994 -2.371 -6.366) 7.423 4.152 ( 9.685 0.772 -4.090) 10.541 4.232 ( 7.141 1.455 -6.652) 9.867 6.182 ( 16.724 1.048 0.885) 16.780 6.405 ( 19.508 -3.745 -3.328) 20.141 7.468 ( 15.019 -2.752 12.167) 19.524 7.808 ( 17.399 -0.051 4.054) 17.865 7.842 ( 17.598 -1.077 3.704) 18.016 8.062 ( 11.263 -1.214 -3.612) 11.890 11.612 ( -46.683 5.282 15.573) 49.494 12.843 ( -25.558 2.116 -23.326) 34.667 16.347 ( -8.376 -12.012 8.197) 16.782 17.032 ( -16.413 11.466 -3.359) 20.301 17.846 ( -2.723 -10.090 -1.937) 10.629 18.940 ( -3.848 4.713 -17.936) 18.940 22.871 ( 1.221 4.374 30.611) 30.946 23.491 ( 12.263 -9.897 17.459) 23.519 24.140 ( 1.438 7.018 4.840) 8.646 24.838 ( 2.590 -1.044 -4.827) 5.576 24.991 ( 7.824 -5.288 -17.473) 19.861 25.502 ( 3.308 5.603 -12.981) 14.521 26.740 ( 6.235 3.484 3.941) 8.157 26.971 ( 1.748 7.177 -3.790) 8.303 28.087 ( -0.669 -4.101 11.744) 12.457 28.510 ( -10.495 1.526 -0.157) 10.606 32.151 ( -3.214 -1.230 9.835) 10.419 32.519 ( -8.066 -0.699 -2.472) 8.465 34.654 ( -13.421 -0.258 -6.544) 14.933 34.795 ( -11.618 -2.172 -9.710) 15.297 36.919 ( -3.124 1.491 17.810) 18.143 38.270 ( 1.035 0.693 -25.244) 25.275 41.587 ( 1.735 0.525 15.865) 15.968 42.295 ( 3.121 -0.357 -8.242) 8.820 ======================= Grid point 531 (154/245) ======================= q-point: ( 0.46 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -6.224 0.365 -18.450) 19.475 1.643 ( -1.859 -0.973 -24.562) 24.652 3.195 ( 4.283 -2.089 -2.541) 5.401 3.370 ( -0.076 -0.491 -6.595) 6.613 4.291 ( 4.322 -0.004 -4.018) 5.901 4.319 ( 2.127 0.802 -6.849) 7.217 6.415 ( 6.652 0.489 3.948) 7.751 6.700 ( 7.726 -1.312 -1.500) 7.979 7.768 ( 11.467 -2.328 10.288) 15.581 8.008 ( 3.341 0.305 4.306) 5.459 8.088 ( 6.406 -0.473 3.405) 7.270 8.243 ( 5.491 -0.323 -1.345) 5.662 10.885 ( -21.011 3.002 19.083) 28.542 12.452 ( -11.143 1.235 -30.040) 32.063 16.403 ( 5.101 -14.829 5.753) 16.703 16.672 ( -12.581 14.034 2.212) 18.977 17.870 ( -0.118 -4.374 -4.363) 6.179 18.876 ( -0.847 2.317 -16.757) 16.937 22.842 ( -1.058 1.246 33.566) 33.606 23.780 ( 11.294 -7.980 17.106) 21.997 24.019 ( -7.718 7.210 12.545) 16.399 24.848 ( -0.469 -0.278 -14.356) 14.367 25.205 ( 7.258 -4.686 -15.436) 17.689 25.493 ( -0.701 4.157 -15.186) 15.760 26.812 ( 2.243 -0.793 1.568) 2.849 26.927 ( -0.886 5.903 0.112) 5.970 28.137 ( 2.244 -2.383 9.779) 10.312 28.353 ( -4.764 0.581 1.231) 4.954 32.111 ( -1.163 -0.322 8.243) 8.331 32.404 ( -3.308 0.034 -2.559) 4.183 34.476 ( -4.767 -0.243 -7.446) 8.844 34.651 ( -3.984 -0.828 -10.939) 11.672 36.871 ( -1.120 0.551 19.260) 19.300 38.279 ( 0.246 0.230 -25.717) 25.720 41.607 ( 0.509 0.163 16.286) 16.295 42.336 ( 0.965 -0.103 -8.422) 8.478 ======================= Grid point 539 (155/245) ======================= q-point: ( 0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -5.104 -0.000 18.192) 18.895 1.706 ( 5.694 0.000 9.196) 10.816 2.504 ( 1.833 0.000 0.259) 1.851 3.028 ( -1.481 -0.000 4.818) 5.040 3.450 ( 21.458 0.000 9.983) 23.666 3.506 ( 11.274 0.000 -3.595) 11.833 5.252 ( 10.562 0.000 -7.325) 12.854 5.306 ( 7.208 0.000 -5.056) 8.805 6.100 ( 27.995 0.000 2.017) 28.067 6.238 ( 28.903 0.000 -1.519) 28.943 6.940 ( 4.365 0.000 1.926) 4.772 7.361 ( 7.776 0.000 -7.101) 10.530 14.404 ( -22.355 -0.000 -0.631) 22.364 14.763 ( -49.769 -0.000 -9.118) 50.597 17.277 ( -13.172 -0.000 12.618) 18.241 18.223 ( -14.852 -0.000 -18.079) 23.398 19.476 ( -62.796 -0.000 6.551) 63.137 19.698 ( -23.821 -0.000 -2.248) 23.927 21.913 ( 23.122 0.000 4.922) 23.640 22.377 ( 34.387 0.000 -6.969) 35.086 23.432 ( 13.687 0.000 15.193) 20.449 24.110 ( 33.951 0.000 -6.269) 34.525 24.942 ( -0.836 -0.000 2.887) 3.005 25.302 ( 0.599 0.000 -5.009) 5.045 26.071 ( 17.070 0.000 4.349) 17.616 26.094 ( 20.612 0.000 -0.600) 20.621 28.752 ( -15.128 -0.000 16.315) 22.250 29.695 ( -21.910 -0.000 -8.576) 23.528 32.350 ( -4.440 -0.000 14.042) 14.727 32.869 ( -4.283 -0.000 -2.008) 4.731 35.794 ( -20.126 -0.000 0.197) 20.127 35.980 ( -26.850 -0.000 -4.300) 27.192 37.162 ( -1.010 -0.000 8.526) 8.585 37.995 ( 12.826 0.000 -18.955) 22.887 41.393 ( 4.657 0.000 9.914) 10.953 41.887 ( 8.648 0.000 -6.792) 10.997 ======================= Grid point 540 (156/245) ======================= q-point: ( 0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( -0.603 -0.726 1.317) 1.620 1.775 ( -0.026 -2.216 0.451) 2.261 2.577 ( 5.694 -1.834 5.155) 7.897 3.060 ( 4.448 -1.203 -0.328) 4.619 3.733 ( 11.959 0.810 -3.996) 12.635 3.817 ( 15.764 -0.334 0.510) 15.776 5.506 ( 15.075 1.723 -5.023) 15.983 5.533 ( 16.012 -2.754 -5.932) 17.296 6.677 ( 29.190 -0.361 6.040) 29.811 6.828 ( 30.237 -0.257 0.669) 30.245 7.077 ( 10.223 -0.195 4.006) 10.981 7.553 ( 11.396 -0.805 -5.760) 12.794 13.740 ( -53.401 1.065 0.643) 53.416 13.924 ( -26.843 -1.187 -7.139) 27.802 16.974 ( -18.817 -0.232 10.650) 21.623 17.907 ( -16.168 2.008 -20.913) 26.510 18.377 ( -46.860 -2.278 15.847) 49.520 19.334 ( -14.090 0.054 -14.399) 20.146 22.392 ( 25.142 1.186 9.924) 27.056 22.931 ( 18.924 -0.981 5.478) 19.725 23.681 ( 15.631 2.250 8.687) 18.024 24.615 ( 17.635 0.282 -10.243) 20.396 24.873 ( -4.480 0.460 4.648) 6.472 25.363 ( 5.142 0.196 -9.236) 10.573 26.391 ( 17.110 4.504 4.863) 18.349 26.541 ( 20.591 -4.574 -3.748) 21.423 28.431 ( -16.538 0.453 14.980) 22.318 29.242 ( -22.473 2.825 -5.755) 23.370 32.269 ( -3.935 -0.471 13.443) 14.015 32.776 ( -6.424 -3.074 -2.169) 7.445 35.390 ( -20.520 0.479 -2.577) 20.687 35.470 ( -25.120 -0.629 -5.032) 25.626 37.111 ( -3.760 0.638 11.859) 12.457 38.174 ( 6.192 0.556 -22.256) 23.108 41.482 ( 4.396 0.585 12.681) 13.434 42.058 ( 8.213 -0.474 -7.200) 10.932 ======================= Grid point 541 (157/245) ======================= q-point: ( 0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -6.965 0.314 -10.277) 12.419 1.739 ( -4.494 -3.071 -9.703) 11.126 2.755 ( 10.428 -3.388 6.085) 12.540 3.190 ( 6.796 -2.150 -4.172) 8.259 3.957 ( 11.458 0.874 -3.936) 12.147 4.076 ( 10.988 0.541 -5.060) 12.109 5.841 ( 19.785 2.110 -3.096) 20.136 5.918 ( 20.780 -4.090 -4.800) 21.715 7.142 ( 16.709 -1.181 11.458) 20.295 7.382 ( 25.197 0.270 2.748) 25.348 7.401 ( 23.316 -0.851 3.080) 23.534 7.800 ( 12.836 -1.082 -4.792) 13.744 12.680 ( -53.523 2.127 9.065) 54.327 13.394 ( -27.684 -0.072 -14.318) 31.167 16.546 ( -23.486 -2.896 9.286) 25.420 17.548 ( -17.689 8.613 -13.271) 23.732 17.801 ( -15.969 -10.025 9.228) 20.992 19.120 ( -7.723 2.085 -19.976) 21.518 22.826 ( 18.629 5.854 17.158) 25.994 23.133 ( 3.960 -7.672 21.954) 23.591 24.030 ( 18.323 3.268 -3.853) 19.007 24.771 ( 0.164 1.472 2.221) 2.670 24.855 ( 3.274 -3.077 -10.089) 11.044 25.476 ( 6.366 2.440 -12.051) 13.846 26.654 ( 11.802 4.628 5.019) 13.635 26.897 ( 13.733 0.090 -5.111) 14.653 28.148 ( -11.321 -1.077 13.730) 17.828 28.821 ( -18.466 1.922 -3.783) 18.947 32.202 ( -3.160 -0.267 11.960) 12.374 32.651 ( -7.964 -2.548 -2.062) 8.612 34.992 ( -19.627 1.399 -5.453) 20.418 35.044 ( -18.466 -2.647 -6.831) 19.866 37.022 ( -4.531 1.071 15.035) 15.739 38.251 ( 2.499 0.658 -24.066) 24.204 41.552 ( 3.010 0.592 14.592) 14.911 42.200 ( 5.907 -0.442 -7.697) 9.712 ======================= Grid point 542 (158/245) ======================= q-point: ( 0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -11.193 1.838 -15.518) 19.221 1.664 ( -4.379 -3.217 -18.640) 19.416 2.988 ( 10.532 -3.354 2.173) 11.265 3.312 ( 3.945 -1.888 -6.393) 7.746 4.160 ( 9.244 0.587 -3.717) 9.980 4.246 ( 6.879 0.891 -7.154) 9.964 6.201 ( 16.898 2.264 -0.239) 17.051 6.359 ( 20.363 -4.097 -2.853) 20.966 7.441 ( 14.835 -1.799 12.939) 19.767 7.809 ( 17.545 0.138 4.239) 18.051 7.831 ( 17.761 -0.873 3.601) 18.143 8.049 ( 11.677 -0.979 -3.908) 12.353 11.667 ( -46.668 4.000 14.967) 49.172 12.861 ( -25.593 0.952 -22.846) 34.320 16.227 ( -10.324 -8.259 11.195) 17.325 17.179 ( -13.413 13.592 -6.187) 20.074 17.705 ( -3.518 -13.621 0.346) 14.072 18.995 ( -3.483 4.288 -20.516) 21.247 22.933 ( -0.743 5.963 30.658) 31.241 23.376 ( 13.815 -9.674 17.706) 24.452 24.209 ( 1.225 4.854 5.001) 7.076 24.830 ( 4.412 -0.182 -4.117) 6.038 24.933 ( 5.344 -4.554 -16.749) 18.161 25.553 ( 2.615 3.144 -14.029) 14.613 26.786 ( 4.489 3.927 4.599) 7.532 27.056 ( 4.609 6.999 -4.190) 9.369 28.037 ( -1.709 -4.325 11.795) 12.678 28.515 ( -12.296 -0.473 -1.447) 12.390 32.149 ( -1.960 0.731 9.917) 10.135 32.507 ( -7.474 -1.323 -1.993) 7.847 34.654 ( -13.647 0.181 -7.100) 15.385 34.770 ( -11.077 -2.083 -9.303) 14.615 36.934 ( -3.608 0.993 17.643) 18.036 38.277 ( 0.763 0.498 -25.119) 25.135 41.593 ( 1.502 0.394 15.697) 15.774 42.292 ( 3.298 -0.268 -8.125) 8.773 ======================= Grid point 543 (159/245) ======================= q-point: ( 0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -5.813 2.411 -18.973) 19.989 1.623 ( -1.259 -2.311 -24.127) 24.270 3.175 ( 6.590 -1.334 -2.097) 7.043 3.361 ( 0.397 -1.009 -6.629) 6.717 4.291 ( 3.932 0.026 -3.604) 5.334 4.327 ( 1.633 0.596 -7.371) 7.573 6.427 ( 6.340 1.379 3.327) 7.292 6.682 ( 9.190 -1.778 -1.433) 9.469 7.742 ( 12.757 -2.026 11.139) 17.057 8.016 ( 3.945 0.952 4.260) 5.884 8.078 ( 6.497 -1.074 3.489) 7.452 8.240 ( 6.053 -0.224 -1.626) 6.272 10.920 ( -23.708 2.879 18.632) 30.291 12.460 ( -12.636 0.243 -29.637) 32.219 16.244 ( 4.863 -11.804 9.382) 15.843 16.862 ( -9.519 17.758 -2.643) 20.321 17.766 ( 0.856 -12.891 -1.455) 13.001 18.921 ( -1.580 4.900 -18.561) 19.261 22.866 ( -2.140 2.674 33.399) 33.574 23.686 ( 11.963 -8.023 16.884) 22.194 24.094 ( -8.056 5.398 13.380) 16.524 24.854 ( 0.355 1.313 -15.261) 15.322 25.141 ( 8.837 -6.070 -13.945) 17.590 25.533 ( -2.952 2.574 -15.779) 16.258 26.811 ( 0.384 0.721 3.119) 3.224 27.023 ( -2.021 9.616 -1.736) 9.979 28.092 ( 2.955 -5.166 9.828) 11.490 28.346 ( -5.582 -1.530 1.083) 5.889 32.121 ( -0.015 1.877 8.055) 8.270 32.399 ( -3.584 -0.929 -2.182) 4.298 34.474 ( -4.520 -0.035 -7.684) 8.915 34.639 ( -3.204 -1.125 -10.785) 11.307 36.876 ( -1.750 0.377 19.187) 19.270 38.281 ( -0.011 0.196 -25.671) 25.672 41.608 ( 0.324 0.147 16.229) 16.233 42.335 ( 1.085 -0.091 -8.387) 8.457 ======================= Grid point 544 (160/245) ======================= q-point: (-0.54 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 6.497 1.925 -18.359) 19.570 1.644 ( 2.539 -0.629 -24.742) 24.880 3.223 ( -1.930 2.737 -3.131) 4.585 3.370 ( 0.679 -0.561 -6.402) 6.462 4.291 ( -4.637 0.013 -4.348) 6.357 4.309 ( -2.797 -0.821 -6.333) 6.972 6.416 ( -6.838 0.484 4.087) 7.981 6.711 ( -6.420 0.657 -1.434) 6.611 7.794 ( -9.544 1.991 9.613) 13.692 8.009 ( -3.220 0.520 4.340) 5.429 8.088 ( -6.003 -0.391 3.331) 6.876 8.247 ( -5.057 0.486 -1.137) 5.206 10.854 ( 18.085 -2.377 19.300) 26.556 12.432 ( 9.571 -2.081 -30.203) 31.751 16.466 ( 6.392 -8.361 3.337) 11.041 16.656 ( 3.495 15.512 2.519) 16.100 17.858 ( 2.331 -6.377 -2.345) 7.183 18.876 ( -0.560 2.295 -16.303) 16.473 22.838 ( 0.113 0.519 33.270) 33.274 23.863 ( -9.703 5.552 18.652) 21.746 23.933 ( 6.441 -6.942 11.010) 14.522 24.860 ( 1.145 1.814 -14.642) 14.799 25.240 ( -3.179 0.922 -15.409) 15.761 25.444 ( -3.821 -3.804 -15.285) 16.208 26.811 ( -1.347 -1.419 0.717) 2.084 26.911 ( -3.872 3.264 0.560) 5.095 28.144 ( -0.521 -1.204 9.844) 9.931 28.333 ( 3.429 -2.631 2.187) 4.844 32.130 ( 2.382 2.872 7.552) 8.423 32.397 ( 2.969 -1.201 -2.336) 3.964 34.479 ( 5.077 0.388 -7.304) 8.903 34.658 ( 4.770 0.299 -10.903) 11.904 36.864 ( 0.445 -0.615 19.338) 19.353 38.276 ( -0.518 -0.209 -25.792) 25.798 41.605 ( -0.700 -0.140 16.338) 16.354 42.337 ( -0.842 0.090 -8.458) 8.500 ======================= Grid point 545 (161/245) ======================= q-point: (-0.46 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 12.956 1.557 -13.382) 18.691 1.723 ( 5.511 1.356 -20.355) 21.131 3.097 ( -7.719 5.448 0.146) 9.449 3.364 ( -1.687 1.956 -6.300) 6.809 4.143 ( -10.213 -0.741 -4.689) 11.262 4.213 ( -7.587 -1.853 -5.801) 9.729 6.177 ( -16.378 0.173 1.596) 16.456 6.444 ( -18.682 2.877 -3.409) 19.207 7.503 ( -15.211 3.220 11.169) 19.144 7.811 ( -17.282 0.373 3.847) 17.709 7.854 ( -17.325 0.809 3.845) 17.765 8.076 ( -10.800 1.182 -3.235) 11.336 11.549 ( 46.659 -5.210 16.080) 49.626 12.812 ( 25.567 -3.163 -23.694) 35.001 16.490 ( 6.097 11.677 3.831) 13.719 16.925 ( 18.253 -6.238 -2.359) 19.433 17.927 ( 4.446 3.512 -0.803) 5.723 18.897 ( 3.298 -2.331 -15.298) 15.822 22.834 ( -2.466 -2.095 30.342) 30.514 23.599 ( -11.377 8.534 17.216) 22.331 24.051 ( -1.566 -7.981 4.967) 9.530 24.853 ( -2.159 1.555 -6.347) 6.882 25.051 ( -9.315 4.992 -18.187) 21.035 25.424 ( -3.800 -7.594 -11.716) 14.470 26.713 ( -8.245 -1.026 3.018) 8.840 26.898 ( -0.144 -5.209 -3.290) 6.163 28.127 ( 0.658 2.578 11.722) 12.020 28.477 ( 8.665 -4.137 1.794) 9.768 32.181 ( 4.783 4.020 8.852) 10.835 32.520 ( 8.559 -0.667 -2.432) 8.923 34.660 ( 13.360 0.619 -6.108) 14.704 34.818 ( 12.090 1.647 -9.860) 15.688 36.900 ( 2.530 -1.700 18.010) 18.266 38.261 ( -1.360 -0.724 -25.421) 25.467 41.581 ( -1.993 -0.519 16.050) 16.182 42.300 ( -2.924 0.354 -8.374) 8.877 ======================= Grid point 546 (162/245) ======================= q-point: (-0.38 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 9.842 2.389 -7.305) 12.488 1.827 ( 6.019 3.615 -12.248) 14.118 2.887 ( -9.157 7.203 3.908) 12.289 3.272 ( -5.554 4.251 -3.552) 7.844 3.924 ( -12.356 -1.712 -4.651) 13.312 4.047 ( -10.392 -1.999 -4.971) 11.692 5.822 ( -18.562 0.373 -1.617) 18.636 6.017 ( -21.285 3.988 -4.751) 22.171 7.191 ( -16.746 2.852 10.461) 19.950 7.379 ( -24.686 0.068 2.945) 24.862 7.429 ( -24.018 1.273 3.460) 24.299 7.839 ( -12.082 1.939 -4.708) 13.111 12.601 ( 55.754 -4.022 10.508) 56.878 13.383 ( 29.970 -1.304 -14.212) 33.194 16.666 ( 16.830 6.872 3.627) 18.537 17.349 ( 20.376 -8.267 -12.071) 25.085 18.050 ( 14.939 10.503 6.930) 19.532 19.045 ( 10.090 -3.657 -14.579) 18.103 22.698 ( -14.510 -4.043 20.945) 25.798 23.341 ( -10.361 9.030 15.873) 20.996 23.895 ( -18.710 -7.654 -2.801) 20.408 24.748 ( -6.539 -1.073 -4.364) 7.934 24.929 ( -2.462 3.101 -7.587) 8.558 25.370 ( -5.127 -6.319 -8.084) 11.470 26.522 ( -13.263 -4.932 5.011) 15.011 26.882 ( -4.783 -0.955 -7.024) 8.551 28.188 ( 7.842 2.058 14.327) 16.462 28.719 ( 12.994 -6.911 0.769) 14.738 32.262 ( 6.108 5.677 11.145) 13.919 32.716 ( 11.278 1.825 -2.955) 11.800 34.978 ( 18.943 0.129 -4.298) 19.425 35.104 ( 18.113 2.158 -7.955) 19.901 36.977 ( 3.918 -2.492 15.397) 16.082 38.225 ( -3.203 -1.363 -24.368) 24.616 41.530 ( -3.702 -1.068 15.271) 15.750 42.216 ( -5.313 0.803 -8.211) 9.813 ======================= Grid point 547 (163/245) ======================= q-point: (-0.31 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 2.458 4.286 1.243) 5.095 1.892 ( 3.169 6.506 -1.962) 7.498 2.690 ( -6.024 7.197 4.509) 10.413 3.131 ( -5.037 4.364 1.231) 6.777 3.690 ( -12.868 -2.367 -4.116) 13.716 3.827 ( -13.080 -0.041 -1.423) 13.157 5.488 ( -14.877 0.142 -4.032) 15.415 5.614 ( -16.762 3.899 -5.008) 17.924 6.701 ( -30.013 1.676 5.531) 30.564 6.839 ( -30.321 0.485 0.795) 30.336 7.092 ( -9.876 1.138 4.802) 11.041 7.599 ( -10.736 2.661 -6.069) 12.616 13.692 ( 51.618 -2.347 2.596) 51.736 13.970 ( 31.033 1.681 -6.388) 31.728 16.998 ( 18.030 2.233 5.069) 18.862 17.777 ( 17.625 -8.660 -20.445) 28.348 18.522 ( 41.497 9.608 13.515) 44.687 19.330 ( 17.822 -0.500 -10.845) 20.868 22.329 ( -24.046 -3.486 10.653) 26.531 22.980 ( -26.087 2.476 -0.483) 26.209 23.555 ( -16.919 -7.132 9.866) 20.843 24.561 ( -17.350 -5.230 -13.152) 22.391 24.870 ( -2.204 0.913 8.099) 8.443 25.343 ( 0.655 -1.724 -4.750) 5.096 26.248 ( -17.792 -5.830 6.289) 19.751 26.698 ( -11.821 7.383 -7.463) 15.810 28.407 ( 13.897 -1.238 15.451) 20.819 29.065 ( 16.745 -11.341 -0.178) 20.225 32.344 ( 5.960 7.150 13.456) 16.362 32.919 ( 11.563 6.608 -4.324) 14.002 35.373 ( 20.726 -0.528 -2.202) 20.850 35.495 ( 22.709 0.955 -5.862) 23.473 37.071 ( 3.738 -2.611 12.015) 12.851 38.140 ( -6.913 -2.071 -22.285) 23.424 41.450 ( -5.275 -1.823 13.813) 14.898 42.084 ( -7.395 1.491 -8.070) 11.046 ======================= Grid point 548 (164/245) ======================= q-point: (-0.23 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -1.704 4.005 11.982) 12.748 1.889 ( 3.087 10.211 9.926) 14.571 2.572 ( -2.651 5.533 1.203) 6.252 3.063 ( 0.271 2.569 6.518) 7.011 3.437 ( -15.277 -1.478 1.347) 15.407 3.537 ( -14.393 2.881 2.413) 14.876 5.248 ( -9.695 -0.178 -5.777) 11.287 5.342 ( -8.834 2.658 -4.957) 10.473 6.108 ( -28.326 0.726 1.946) 28.402 6.244 ( -29.202 0.279 -1.393) 29.237 6.952 ( -4.395 0.991 2.344) 5.079 7.403 ( -7.406 3.044 -7.612) 11.048 14.407 ( 23.630 0.187 0.073) 23.631 14.763 ( 46.470 -0.722 -8.109) 47.178 17.313 ( 15.659 3.392 7.800) 17.820 18.149 ( 16.042 -6.098 -18.456) 25.202 19.489 ( 56.100 1.872 7.106) 56.579 19.763 ( 29.629 4.635 -2.134) 30.065 21.866 ( -23.698 -3.710 4.284) 24.366 22.336 ( -37.204 -3.609 -8.537) 38.342 23.286 ( -18.214 -9.767 13.660) 24.774 24.090 ( -33.561 -4.462 -10.545) 35.460 24.834 ( -2.558 -3.581 13.546) 14.243 25.396 ( 4.379 4.109 -3.571) 6.986 25.926 ( -16.803 -4.892 6.397) 18.633 26.363 ( -14.922 14.541 -5.796) 21.626 28.701 ( 13.602 -3.929 16.321) 21.606 29.483 ( 17.204 -15.916 -2.051) 23.527 32.408 ( 4.757 7.087 15.152) 17.390 33.075 ( 9.872 13.015 -6.360) 17.530 35.774 ( 19.257 -1.451 0.017) 19.312 35.968 ( 25.275 -1.197 -4.698) 25.736 37.138 ( 1.430 -1.931 8.483) 8.817 37.961 ( -13.193 -2.544 -18.540) 22.896 41.355 ( -5.493 -2.684 11.520) 13.042 41.921 ( -7.803 2.357 -8.010) 11.428 ======================= Grid point 549 (165/245) ======================= q-point: (-0.15 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -3.850 3.729 15.940) 16.817 1.991 ( 14.066 8.430 21.491) 27.033 2.498 ( -3.553 3.147 -0.005) 4.746 3.023 ( -14.138 2.101 16.904) 22.136 3.138 ( -1.834 4.682 10.179) 11.353 3.308 ( -8.369 0.001 -0.487) 8.383 5.113 ( -4.084 0.191 -6.114) 7.355 5.231 ( -1.935 1.025 -6.467) 6.827 5.642 ( -17.967 0.212 -1.322) 18.016 5.751 ( -19.555 -0.150 -4.002) 19.961 6.894 ( -1.379 0.645 0.042) 1.523 7.278 ( -3.578 2.984 -8.815) 9.970 14.761 ( 12.699 0.232 4.813) 13.583 15.579 ( 32.698 -5.182 -17.727) 37.554 17.553 ( 10.954 6.651 7.742) 14.972 18.442 ( 10.450 -1.888 -19.388) 22.106 20.255 ( 28.410 1.903 10.317) 30.285 20.701 ( 54.310 0.900 -1.947) 54.353 21.537 ( -7.941 -3.215 0.485) 8.581 21.692 ( -26.700 -4.407 -4.801) 27.484 22.903 ( -27.992 -14.912 8.178) 32.753 23.332 ( -44.054 -1.943 -4.705) 44.347 24.800 ( -3.502 -5.073 21.515) 22.381 25.423 ( 1.051 5.390 0.917) 5.567 25.726 ( -4.457 -1.737 0.511) 4.811 25.990 ( -12.607 17.669 -4.289) 22.125 28.948 ( 8.285 -4.875 17.384) 19.865 29.880 ( 11.890 -18.602 -6.092) 22.902 32.449 ( 2.865 4.509 15.651) 16.537 33.138 ( 5.665 18.755 -7.809) 21.090 36.116 ( 13.567 -2.770 2.342) 14.043 36.481 ( 25.366 -2.931 -6.209) 26.278 37.143 ( -1.415 -0.769 5.267) 5.507 37.647 ( -19.886 -1.986 -12.024) 23.323 41.281 ( -3.465 -3.306 8.691) 9.923 41.772 ( -5.268 3.059 -7.872) 9.954 ======================= Grid point 550 (166/245) ======================= q-point: (-0.08 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 0.000 3.346 18.200) 18.505 2.290 ( 0.000 2.242 1.781) 2.863 2.301 ( 0.000 3.440 28.790) 28.995 2.774 ( 0.000 5.600 17.671) 18.537 3.164 ( 0.000 2.856 13.410) 13.711 3.210 ( -0.000 -1.480 -2.399) 2.819 5.077 ( 0.000 0.248 -6.027) 6.033 5.221 ( 0.000 0.668 -8.031) 8.058 5.451 ( 0.000 0.067 -2.237) 2.238 5.548 ( -0.000 -0.393 -5.473) 5.488 6.880 ( 0.000 0.370 -0.890) 0.964 7.227 ( 0.000 2.387 -9.046) 9.356 14.888 ( -0.000 -0.113 7.790) 7.790 15.965 ( -0.000 -6.040 -24.047) 24.794 17.625 ( 0.000 6.636 7.901) 10.318 18.550 ( 0.000 0.402 -20.832) 20.836 20.570 ( -0.000 -0.197 14.972) 14.974 21.172 ( -0.000 -1.682 -3.550) 3.928 21.440 ( -0.000 -2.030 -0.956) 2.243 21.859 ( 0.000 2.936 -12.339) 12.683 22.468 ( -0.000 -14.356 11.727) 18.537 22.764 ( -0.000 -3.221 3.125) 4.488 24.783 ( -0.000 -4.808 24.917) 25.376 25.420 ( 0.000 0.263 5.487) 5.493 25.709 ( 0.000 18.913 -4.305) 19.397 25.735 ( -0.000 -0.220 -3.996) 4.002 29.058 ( -0.000 -3.857 17.904) 18.315 30.109 ( -0.000 -15.931 -10.805) 19.250 32.464 ( 0.000 0.663 14.732) 14.747 33.079 ( 0.000 18.748 -6.170) 19.737 36.279 ( -0.000 -2.711 3.757) 4.633 36.862 ( -0.000 -4.145 -12.721) 13.380 37.122 ( -0.000 -0.092 3.575) 3.576 37.343 ( 0.000 0.085 -3.106) 3.108 41.265 ( -0.000 -3.009 6.669) 7.316 41.699 ( 0.000 2.830 -7.328) 7.855 ======================= Grid point 553 (167/245) ======================= q-point: ( 0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -6.275 -0.000 -11.432) 13.041 1.719 ( -4.458 -0.000 -8.639) 9.722 2.734 ( 10.624 0.000 6.410) 12.408 3.177 ( 6.976 0.000 -4.268) 8.179 3.963 ( 11.310 0.000 -3.863) 11.951 4.079 ( 11.116 0.000 -5.022) 12.198 5.868 ( 21.278 0.000 -2.298) 21.402 5.880 ( 19.399 0.000 -5.839) 20.259 7.135 ( 16.712 0.000 11.574) 20.329 7.385 ( 26.188 0.000 2.409) 26.298 7.395 ( 22.312 0.000 3.354) 22.563 7.794 ( 12.958 0.000 -4.798) 13.818 12.693 ( -53.175 -0.000 8.805) 53.899 13.394 ( -27.336 -0.000 -14.294) 30.848 16.529 ( -24.551 -0.000 10.040) 26.525 17.622 ( -13.467 -0.000 -26.533) 29.756 17.719 ( -20.008 -0.000 22.785) 30.322 19.132 ( -7.257 -0.000 -20.757) 21.989 22.868 ( 22.606 0.000 14.205) 26.698 23.080 ( -0.380 -0.000 25.200) 25.203 24.049 ( 18.242 0.000 -3.996) 18.675 24.785 ( -2.915 -0.000 6.874) 7.466 24.832 ( 5.636 0.000 -14.106) 15.191 25.491 ( 6.428 0.000 -12.783) 14.308 26.683 ( 11.266 0.000 5.040) 12.342 26.897 ( 15.720 0.000 -4.648) 16.392 28.142 ( -12.033 -0.000 13.537) 18.112 28.832 ( -19.463 -0.000 -4.441) 19.963 32.201 ( -2.796 -0.000 11.789) 12.116 32.635 ( -7.301 -0.000 -1.686) 7.493 35.008 ( -21.304 -0.000 -6.392) 22.242 35.020 ( -16.959 -0.000 -5.864) 17.944 37.028 ( -4.623 -0.000 14.979) 15.676 38.255 ( 2.390 0.000 -24.028) 24.146 41.556 ( 2.887 0.000 14.477) 14.762 42.197 ( 6.011 0.000 -7.611) 9.698 ======================= Grid point 554 (168/245) ======================= q-point: ( 0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -10.569 1.252 -16.933) 20.000 1.633 ( -4.151 -1.694 -17.415) 17.983 2.961 ( 11.337 -1.208 2.656) 11.707 3.297 ( 4.439 -0.713 -6.407) 7.827 4.165 ( 8.997 0.220 -3.534) 9.669 4.253 ( 6.762 0.296 -7.386) 10.019 6.230 ( 16.255 2.052 -1.589) 16.461 6.316 ( 21.610 -2.701 -1.911) 21.861 7.427 ( 14.727 -0.619 13.352) 19.888 7.811 ( 17.721 0.095 4.364) 18.251 7.823 ( 17.765 -0.337 3.544) 18.118 8.041 ( 11.909 -0.386 -4.082) 12.596 11.700 ( -46.649 1.503 14.543) 48.887 12.867 ( -25.625 0.223 -22.492) 34.096 16.161 ( -11.315 -2.904 12.671) 17.234 17.339 ( -10.693 12.851 -15.738) 22.960 17.544 ( -5.296 -13.027 9.925) 17.212 19.031 ( -3.082 1.680 -22.015) 22.293 22.997 ( -4.218 3.942 31.293) 31.821 23.283 ( 17.019 -5.252 17.191) 24.753 24.249 ( 1.046 1.753 5.248) 5.631 24.833 ( 7.689 0.472 -3.051) 8.286 24.891 ( 1.788 -2.251 -17.229) 17.467 25.576 ( 2.133 0.977 -14.597) 14.785 26.821 ( 3.460 1.720 4.926) 6.260 27.118 ( 7.143 3.069 -4.492) 8.979 27.997 ( -2.992 -1.984 11.887) 12.418 28.507 ( -13.442 -0.525 -2.016) 13.603 32.160 ( -1.266 0.658 9.614) 9.719 32.493 ( -7.083 -0.706 -1.476) 7.269 34.657 ( -13.989 0.218 -7.595) 15.919 34.751 ( -10.569 -0.942 -8.857) 13.822 36.942 ( -3.878 0.345 17.549) 17.976 38.281 ( 0.608 0.181 -25.056) 25.064 41.596 ( 1.363 0.147 15.597) 15.657 42.289 ( 3.404 -0.100 -8.056) 8.746 ======================= Grid point 555 (169/245) ======================= q-point: ( 0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -5.545 2.532 -19.720) 20.641 1.594 ( -0.751 -2.237 -23.540) 23.658 3.164 ( 8.377 -0.619 -1.817) 8.594 3.349 ( 0.575 -0.783 -6.599) 6.670 4.292 ( 3.629 0.035 -3.273) 4.887 4.332 ( 1.330 0.303 -7.745) 7.865 6.444 ( 5.809 1.351 2.506) 6.469 6.662 ( 10.608 -1.469 -1.210) 10.777 7.723 ( 13.429 -1.167 11.852) 17.949 8.029 ( 4.751 1.318 4.285) 6.533 8.064 ( 6.207 -1.359 3.494) 7.251 8.237 ( 6.573 -0.142 -1.864) 6.833 10.948 ( -25.597 1.794 18.162) 31.437 12.460 ( -13.690 -0.190 -29.193) 32.244 16.138 ( 5.087 -6.247 11.321) 13.895 17.071 ( -7.457 17.555 -11.040) 22.038 17.592 ( 0.881 -15.861 6.757) 17.262 18.973 ( -1.700 3.537 -20.278) 20.654 22.898 ( -3.249 2.439 33.017) 33.266 23.605 ( 12.755 -5.396 16.996) 21.924 24.142 ( -8.378 2.843 14.093) 16.640 24.876 ( 0.870 2.137 -17.418) 17.570 25.074 ( 9.457 -4.979 -11.543) 15.731 25.553 ( -3.977 1.051 -16.241) 16.754 26.824 ( -1.166 1.246 4.030) 4.377 27.129 ( -2.361 7.770 -3.573) 8.872 28.029 ( 2.915 -4.980 10.284) 11.792 28.326 ( -5.753 -1.666 1.374) 6.145 32.147 ( 0.929 2.155 7.352) 7.718 32.385 ( -3.907 -1.142 -1.499) 4.338 34.474 ( -4.407 0.074 -7.940) 9.082 34.627 ( -2.589 -0.841 -10.541) 10.887 36.879 ( -2.195 0.181 19.135) 19.261 38.283 ( -0.193 0.113 -25.651) 25.652 41.610 ( 0.190 0.088 16.185) 16.187 42.334 ( 1.173 -0.054 -8.360) 8.442 ======================= Grid point 556 (170/245) ======================= q-point: (-0.62 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( 6.485 2.857 -18.582) 19.887 1.631 ( 3.240 -1.526 -24.736) 24.994 3.258 ( 0.213 3.121 -3.836) 4.950 3.356 ( 0.986 -1.734 -5.992) 6.315 4.291 ( -4.653 0.016 -4.341) 6.363 4.301 ( -3.644 -0.625 -6.124) 7.153 6.424 ( -7.025 0.867 3.837) 8.051 6.716 ( -5.364 0.169 -1.323) 5.528 7.813 ( -7.410 1.223 9.267) 11.928 8.020 ( -3.623 1.291 4.365) 5.818 8.079 ( -5.535 -1.211 3.275) 6.544 8.253 ( -4.736 0.510 -1.061) 4.880 10.831 ( 15.596 -1.420 19.276) 24.836 12.407 ( 8.293 -2.018 -30.138) 31.323 16.364 ( 11.858 -7.468 5.678) 15.121 16.870 ( -0.810 19.109 -5.761) 19.975 17.738 ( 4.993 -13.091 4.848) 14.826 18.916 ( -1.764 3.847 -17.067) 17.584 22.851 ( -0.673 1.438 32.643) 32.681 23.840 ( 7.392 -5.997 14.777) 17.578 23.932 ( -10.274 3.684 15.378) 18.858 24.887 ( 1.533 2.688 -15.932) 16.230 25.224 ( 1.874 -3.304 -12.990) 13.534 25.415 ( -8.973 -1.129 -16.992) 19.249 26.796 ( -1.083 -0.716 1.693) 2.133 26.973 ( -8.251 6.142 -1.354) 10.375 28.113 ( 1.956 -3.666 10.078) 10.901 28.301 ( 2.057 -2.555 3.572) 4.849 32.173 ( 3.602 4.158 6.175) 8.270 32.377 ( 2.409 -2.180 -1.538) 3.594 34.484 ( 5.341 0.363 -7.259) 9.020 34.659 ( 5.422 -0.065 -10.727) 12.019 36.857 ( -0.118 -0.493 19.402) 19.409 38.274 ( -0.743 -0.145 -25.872) 25.883 41.603 ( -0.854 -0.091 16.377) 16.399 42.338 ( -0.743 0.060 -8.485) 8.518 ======================= Grid point 557 (171/245) ======================= q-point: (-0.54 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( 13.323 2.693 -13.086) 18.868 1.731 ( 6.348 0.056 -20.633) 21.587 3.159 ( -6.515 5.110 -1.100) 8.352 3.381 ( -0.206 0.866 -6.125) 6.189 4.135 ( -10.678 -0.507 -5.611) 12.073 4.191 ( -8.202 -1.862 -4.509) 9.543 6.184 ( -16.094 0.840 1.872) 16.224 6.471 ( -17.928 1.869 -3.276) 18.321 7.540 ( -15.346 2.936 10.158) 18.637 7.817 ( -17.206 0.696 3.595) 17.592 7.860 ( -16.959 0.137 4.061) 17.439 8.089 ( -10.466 0.993 -2.829) 10.887 11.495 ( 46.586 -4.036 16.346) 49.535 12.773 ( 25.646 -3.304 -23.864) 35.187 16.583 ( 8.079 3.294 0.225) 8.728 16.914 ( 13.962 4.996 -4.738) 15.567 17.926 ( 9.206 -3.356 4.309) 10.704 18.889 ( 1.511 0.787 -13.766) 13.871 22.821 ( -3.420 -0.233 29.690) 29.887 23.686 ( -10.571 6.304 17.150) 21.110 23.961 ( -1.592 -7.354 5.400) 9.262 24.872 ( -3.118 1.756 -8.809) 9.508 25.104 ( -9.601 4.063 -18.111) 20.897 25.332 ( -3.922 -7.973 -10.739) 13.938 26.717 ( -9.957 1.607 1.964) 10.276 26.850 ( -0.281 -3.227 -2.627) 4.171 28.147 ( 1.812 1.091 11.720) 11.910 28.420 ( 7.081 -5.317 3.935) 9.690 32.241 ( 6.392 6.079 7.000) 11.261 32.502 ( 8.698 -2.368 -1.678) 9.169 34.667 ( 13.389 0.690 -5.822) 14.616 34.833 ( 12.478 0.948 -9.768) 15.875 36.881 ( 1.961 -1.500 18.196) 18.362 38.254 ( -1.663 -0.592 -25.612) 25.673 41.576 ( -2.215 -0.402 16.209) 16.365 42.303 ( -2.755 0.276 -8.490) 8.930 ======================= Grid point 558 (172/245) ======================= q-point: (-0.46 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 10.925 3.287 -6.627) 13.194 1.863 ( 7.301 2.392 -12.774) 14.906 2.971 ( -8.388 7.106 2.417) 11.256 3.319 ( -4.672 3.662 -3.116) 6.704 3.906 ( -12.795 -1.413 -5.494) 13.996 4.020 ( -10.350 -2.669 -4.354) 11.541 5.831 ( -18.258 1.133 -1.018) 18.322 6.059 ( -21.152 3.128 -4.500) 21.850 7.226 ( -16.760 2.957 9.555) 19.518 7.381 ( -25.128 0.362 2.875) 25.295 7.441 ( -23.814 0.852 4.084) 24.176 7.860 ( -11.693 1.647 -4.595) 12.671 12.556 ( 57.000 -3.596 11.178) 58.197 13.364 ( 31.423 -1.926 -13.989) 34.450 16.748 ( 13.838 7.029 -0.542) 15.531 17.257 ( 18.113 -7.381 -13.233) 23.615 18.163 ( 18.561 8.869 8.447) 22.238 19.005 ( 10.213 -3.042 -11.178) 15.443 22.663 ( -14.438 -2.111 20.949) 25.530 23.440 ( -11.724 7.954 14.039) 19.945 23.803 ( -18.763 -7.937 -2.013) 20.472 24.729 ( -10.062 -2.276 -7.545) 12.781 24.967 ( -3.108 3.517 -6.426) 7.958 25.292 ( -3.638 -6.810 -6.809) 10.295 26.478 ( -14.260 -2.664 5.048) 15.360 26.872 ( -0.771 -0.678 -7.184) 7.257 28.213 ( 6.792 2.295 14.197) 15.904 28.629 ( 10.363 -8.311 3.623) 13.770 32.345 ( 8.178 8.346 9.309) 14.939 32.724 ( 12.561 -0.592 -2.347) 12.792 34.982 ( 18.699 0.513 -3.980) 19.125 35.125 ( 17.790 1.419 -8.061) 19.583 36.948 ( 3.542 -2.464 15.604) 16.189 38.210 ( -3.620 -1.259 -24.601) 24.897 41.519 ( -4.042 -0.910 15.624) 16.164 42.225 ( -5.013 0.687 -8.486) 9.880 ======================= Grid point 559 (173/245) ======================= q-point: (-0.38 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 3.845 5.118 0.804) 6.452 1.965 ( 5.216 5.850 -3.295) 8.502 2.779 ( -6.170 7.868 3.837) 10.710 3.183 ( -5.669 4.285 2.669) 7.591 3.664 ( -12.934 -1.915 -4.746) 13.910 3.820 ( -11.531 -1.239 -2.418) 11.847 5.494 ( -15.030 0.913 -3.082) 15.370 5.658 ( -17.057 3.530 -4.491) 17.988 6.724 ( -30.550 2.155 5.095) 31.047 6.843 ( -30.432 0.026 0.998) 30.448 7.107 ( -9.784 1.406 5.321) 11.226 7.629 ( -10.368 2.471 -6.233) 12.347 13.667 ( 52.212 -2.015 4.012) 52.405 13.983 ( 31.898 0.429 -5.582) 32.386 17.034 ( 17.696 4.013 0.409) 18.150 17.664 ( 17.636 -10.697 -19.922) 28.677 18.647 ( 39.049 11.728 11.913) 42.477 19.319 ( 20.190 -1.507 -7.804) 21.698 22.290 ( -24.062 -2.950 10.354) 26.361 23.003 ( -31.801 1.260 -5.414) 32.283 23.476 ( -16.140 -5.969 12.119) 21.048 24.487 ( -19.540 -7.291 -13.686) 24.945 24.886 ( -3.760 1.651 10.186) 10.983 25.318 ( 3.724 -2.525 -3.825) 5.906 26.190 ( -17.125 -4.034 7.308) 19.051 26.781 ( -7.054 6.714 -8.936) 13.217 28.396 ( 12.046 -0.373 15.461) 19.603 28.923 ( 13.398 -12.713 3.404) 18.780 32.450 ( 8.003 10.838 12.095) 18.105 32.980 ( 14.094 3.603 -4.139) 15.124 35.370 ( 20.498 -0.020 -2.161) 20.611 35.503 ( 21.312 0.345 -6.147) 22.184 37.038 ( 3.770 -2.855 12.090) 12.982 38.115 ( -7.405 -2.120 -22.376) 23.665 41.429 ( -5.737 -1.651 14.489) 15.671 42.101 ( -6.938 1.368 -8.597) 11.132 ======================= Grid point 560 (174/245) ======================= q-point: (-0.31 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -1.455 6.401 9.579) 11.612 2.007 ( 4.799 9.889 6.932) 12.996 2.646 ( -3.356 6.972 2.125) 8.024 3.093 ( -1.144 2.361 8.514) 8.909 3.419 ( -13.287 -1.388 -1.252) 13.417 3.574 ( -12.960 3.032 2.200) 13.491 5.248 ( -9.725 0.165 -4.356) 10.657 5.374 ( -9.757 2.807 -4.412) 11.070 6.119 ( -28.726 1.162 1.880) 28.811 6.245 ( -29.473 -0.085 -1.122) 29.494 6.965 ( -4.506 1.224 2.632) 5.360 7.439 ( -7.197 3.088 -7.973) 11.176 14.411 ( 24.508 0.478 0.761) 24.524 14.743 ( 42.965 -2.742 -6.603) 43.556 17.365 ( 18.478 5.566 2.690) 19.484 18.066 ( 17.721 -8.065 -18.500) 26.857 19.524 ( 51.162 4.057 7.406) 51.854 19.818 ( 33.554 4.461 -1.780) 33.896 21.817 ( -24.696 -4.524 3.338) 25.328 22.284 ( -40.002 -5.185 -9.975) 41.552 23.175 ( -21.106 -8.878 13.113) 26.386 24.011 ( -34.084 -8.650 -12.844) 37.437 24.817 ( -2.604 0.256 20.526) 20.692 25.432 ( 6.401 2.033 -3.143) 7.415 25.878 ( -15.697 -3.362 7.723) 17.814 26.534 ( -11.076 14.472 -8.491) 20.105 28.653 ( 11.976 -4.022 16.228) 20.566 29.284 ( 13.851 -17.759 2.714) 22.685 32.522 ( 6.095 12.339 14.608) 20.070 33.213 ( 13.263 10.058 -7.434) 18.230 35.758 ( 18.388 -1.097 -0.436) 18.426 35.949 ( 23.699 -2.071 -4.991) 24.308 37.113 ( 1.925 -2.315 8.391) 8.915 37.929 ( -13.449 -2.847 -18.247) 22.846 41.324 ( -5.997 -2.554 12.701) 14.276 41.948 ( -7.244 2.294 -8.895) 11.699 ======================= Grid point 561 (175/245) ======================= q-point: (-0.23 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -2.691 6.604 14.665) 16.307 2.100 ( 11.756 9.811 15.673) 21.911 2.546 ( -4.436 4.930 2.310) 7.023 3.052 ( -7.282 2.602 14.580) 16.504 3.184 ( -5.492 2.325 5.455) 8.082 3.328 ( -8.252 4.282 4.885) 10.502 5.114 ( -4.067 -0.103 -5.191) 6.595 5.245 ( -2.477 1.341 -5.577) 6.248 5.645 ( -18.132 0.351 -1.452) 18.194 5.748 ( -19.930 -0.404 -3.830) 20.298 6.904 ( -1.510 0.888 0.247) 1.769 7.316 ( -3.455 3.407 -9.398) 10.577 14.763 ( 12.266 0.213 3.809) 12.846 15.497 ( 28.500 -8.954 -15.108) 33.477 17.655 ( 14.506 10.751 2.489) 18.226 18.414 ( 13.136 -2.857 -19.104) 23.360 20.282 ( 28.661 2.792 10.123) 30.524 20.717 ( 50.747 1.990 -2.355) 50.841 21.489 ( -7.095 -4.971 -0.011) 8.663 21.624 ( -25.977 -7.400 -4.869) 27.445 22.727 ( -31.007 -14.837 8.452) 35.398 23.272 ( -45.017 -7.832 -8.175) 46.419 24.774 ( -1.757 0.484 29.795) 29.851 25.471 ( -1.927 3.170 2.328) 4.380 25.707 ( -1.523 -1.667 -0.136) 2.262 26.218 ( -9.783 20.576 -7.947) 24.129 28.879 ( 7.377 -6.574 17.261) 19.890 29.637 ( 9.427 -22.187 0.606) 24.115 32.543 ( 3.188 11.596 16.183) 20.163 33.354 ( 8.540 17.268 -11.354) 22.361 36.079 ( 12.426 -3.342 1.686) 12.978 36.437 ( 23.601 -4.478 -6.491) 24.884 37.133 ( -0.723 -1.030 5.181) 5.331 37.621 ( -19.091 -2.407 -11.358) 22.344 41.241 ( -3.843 -3.416 10.503) 11.694 41.809 ( -4.821 3.246 -9.188) 10.872 ======================= Grid point 562 (176/245) ======================= q-point: (-0.15 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 6.370 16.983) 18.138 2.323 ( 0.000 3.170 -0.940) 3.306 2.359 ( 0.000 6.422 26.845) 27.602 2.864 ( 0.000 9.417 16.550) 19.042 3.184 ( -0.000 -2.990 -1.289) 3.256 3.214 ( 0.000 5.834 13.887) 15.063 5.079 ( 0.000 0.016 -5.621) 5.621 5.231 ( 0.000 0.903 -7.200) 7.257 5.452 ( 0.000 0.143 -2.482) 2.486 5.542 ( -0.000 -0.724 -5.413) 5.461 6.886 ( 0.000 0.667 -0.681) 0.954 7.263 ( 0.000 3.473 -9.752) 10.352 14.885 ( -0.000 -0.301 6.175) 6.182 15.862 ( -0.000 -11.609 -20.482) 23.543 17.738 ( 0.000 12.641 2.382) 12.864 18.555 ( 0.000 0.486 -20.764) 20.769 20.568 ( -0.000 -0.156 13.752) 13.753 21.138 ( -0.000 -4.119 -4.563) 6.148 21.418 ( -0.000 -1.468 0.584) 1.580 21.901 ( 0.000 4.013 -11.290) 11.982 22.271 ( -0.000 -18.643 11.837) 22.084 22.676 ( -0.000 -11.844 -0.412) 11.851 24.750 ( -0.000 -0.236 32.542) 32.543 25.425 ( 0.000 0.502 5.224) 5.248 25.731 ( -0.000 -0.417 -4.103) 4.125 25.970 ( 0.000 24.320 -7.685) 25.505 28.995 ( -0.000 -6.776 17.779) 19.026 29.871 ( -0.000 -23.511 -3.023) 23.704 32.515 ( 0.000 8.422 16.422) 18.456 33.325 ( 0.000 21.609 -12.162) 24.796 36.236 ( -0.000 -4.468 3.237) 5.518 36.796 ( -0.000 -7.033 -12.128) 14.020 37.121 ( -0.000 -0.161 3.608) 3.612 37.345 ( 0.000 0.148 -3.162) 3.166 41.224 ( -0.000 -3.865 8.786) 9.598 41.739 ( 0.000 3.707 -8.888) 9.630 ======================= Grid point 567 (177/245) ======================= q-point: ( 0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -5.499 -0.000 -20.116) 20.854 1.580 ( -0.507 -0.000 -23.220) 23.226 3.161 ( 9.070 0.000 -1.719) 9.231 3.345 ( 0.589 0.000 -6.581) 6.607 4.292 ( 3.517 0.000 -3.146) 4.719 4.334 ( 1.227 0.000 -7.882) 7.977 6.453 ( 5.454 0.000 2.094) 5.842 6.652 ( 11.298 0.000 -1.055) 11.347 7.716 ( 13.628 0.000 12.129) 18.244 8.042 ( 5.385 0.000 5.024) 7.364 8.051 ( 5.755 0.000 2.768) 6.386 8.236 ( 6.786 0.000 -1.958) 7.063 10.959 ( -26.275 -0.000 17.960) 31.827 12.458 ( -14.068 -0.000 -28.998) 32.230 16.101 ( 5.206 0.000 11.945) 13.030 17.210 ( -7.622 -0.000 -26.864) 27.924 17.462 ( 1.702 0.000 22.651) 22.714 18.995 ( -1.680 -0.000 -20.933) 21.000 22.914 ( -3.805 -0.000 32.831) 33.051 23.572 ( 13.196 0.000 17.076) 21.581 24.158 ( -8.519 -0.000 14.387) 16.720 24.892 ( 0.742 0.000 -19.421) 19.435 25.041 ( 9.928 0.000 -9.504) 13.744 25.559 ( -4.275 -0.000 -16.400) 16.948 26.833 ( -1.727 -0.000 4.336) 4.667 27.179 ( -2.456 -0.000 -4.537) 5.159 27.996 ( 2.773 0.000 10.727) 11.080 28.315 ( -5.694 -0.000 1.545) 5.900 32.161 ( 1.363 0.000 6.943) 7.076 32.378 ( -4.121 -0.000 -1.129) 4.273 34.475 ( -4.389 -0.000 -8.058) 9.176 34.622 ( -2.345 -0.000 -10.418) 10.678 36.880 ( -2.355 -0.000 19.116) 19.261 38.284 ( -0.260 -0.000 -25.647) 25.648 41.610 ( 0.140 0.000 16.168) 16.169 42.334 ( 1.205 0.000 -8.350) 8.437 ======================= Grid point 568 (178/245) ======================= q-point: (-0.69 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 6.324 1.424 -18.814) 19.899 1.615 ( 3.750 -0.863 -24.681) 24.979 3.294 ( 2.614 2.951 -4.590) 6.050 3.331 ( -0.034 -2.483 -5.389) 5.933 4.292 ( -3.981 0.054 -3.345) 5.200 4.295 ( -4.824 -0.281 -6.971) 8.482 6.433 ( -7.186 0.423 3.548) 8.025 6.716 ( -4.732 -0.000 -1.242) 4.892 7.822 ( -5.971 0.391 9.172) 10.951 8.037 ( -4.090 1.502 4.694) 6.405 8.062 ( -5.239 -1.469 2.929) 6.179 8.258 ( -4.528 0.223 -1.067) 4.658 10.821 ( 14.160 -0.457 19.179) 23.844 12.390 ( 7.585 -0.841 -30.020) 30.975 16.304 ( 13.119 -2.619 6.660) 14.944 17.061 ( -3.149 11.227 -18.047) 21.487 17.592 ( 8.095 -9.418 17.208) 21.221 18.951 ( -2.329 1.718 -17.768) 18.003 22.866 ( -1.171 0.779 32.125) 32.155 23.788 ( 8.022 -2.487 14.043) 16.363 23.962 ( -10.591 1.337 16.579) 19.718 24.915 ( 1.651 1.567 -17.613) 17.759 25.185 ( 3.600 -2.316 -10.452) 11.294 25.410 ( -10.616 -0.061 -18.282) 21.141 26.793 ( -1.482 -0.019 2.303) 2.739 27.030 ( -10.830 2.953 -2.921) 11.600 28.075 ( 3.916 -2.138 10.621) 11.520 28.280 ( 1.333 -0.969 4.436) 4.732 32.215 ( 4.842 2.492 4.852) 7.294 32.352 ( 1.504 -1.622 -0.610) 2.295 34.487 ( 5.485 0.150 -7.263) 9.103 34.657 ( 5.799 -0.081 -10.569) 12.056 36.853 ( -0.438 -0.189 19.438) 19.444 38.273 ( -0.870 -0.051 -25.925) 25.940 41.603 ( -0.940 -0.031 16.396) 16.423 42.338 ( -0.688 0.021 -8.500) 8.528 ======================= Grid point 569 (179/245) ======================= q-point: (-0.62 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 13.336 2.184 -13.024) 18.768 1.728 ( 7.067 -0.504 -20.758) 21.934 3.210 ( -5.945 3.431 -2.209) 7.211 3.384 ( 1.196 -0.115 -5.815) 5.938 4.131 ( -10.954 -0.173 -6.951) 12.974 4.172 ( -8.814 -1.266 -2.807) 9.337 6.193 ( -15.933 0.713 1.874) 16.058 6.487 ( -17.392 0.900 -3.113) 17.691 7.568 ( -15.405 1.784 9.392) 18.131 7.826 ( -17.271 0.832 3.169) 17.579 7.857 ( -16.502 -0.478 4.494) 17.109 8.098 ( -10.332 0.602 -2.504) 10.648 11.458 ( 46.499 -2.168 16.413) 49.359 12.740 ( 25.755 -2.136 -23.892) 35.195 16.585 ( 13.187 -1.344 -0.232) 13.257 17.007 ( 4.881 8.466 -12.123) 15.571 17.868 ( 15.438 -5.325 12.350) 20.475 18.905 ( -0.298 1.519 -13.323) 13.413 22.824 ( -4.103 0.470 28.982) 29.275 23.744 ( -9.811 3.515 17.014) 19.953 23.888 ( -1.603 -4.717 6.073) 7.856 24.891 ( -5.014 1.379 -11.668) 12.774 25.146 ( -8.241 3.303 -16.190) 18.464 25.247 ( -4.324 -6.363 -11.109) 13.513 26.745 ( -11.165 2.910 0.907) 11.573 26.818 ( -1.281 -2.473 -1.827) 3.331 28.155 ( 3.792 0.319 11.767) 12.367 28.364 ( 5.607 -3.823 5.571) 8.780 32.315 ( 7.949 6.352 4.706) 11.211 32.465 ( 8.257 -3.913 -0.256) 9.140 34.674 ( 13.436 0.448 -5.668) 14.589 34.841 ( 12.743 0.381 -9.585) 15.950 36.867 ( 1.553 -0.884 18.324) 18.411 38.248 ( -1.874 -0.331 -25.763) 25.833 41.572 ( -2.362 -0.216 16.313) 16.485 42.306 ( -2.643 0.149 -8.568) 8.968 ======================= Grid point 570 (180/245) ======================= q-point: (-0.54 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 11.546 3.007 -6.319) 13.501 1.882 ( 8.437 1.023 -12.994) 15.526 3.046 ( -7.769 5.468 0.946) 9.548 3.354 ( -3.795 2.259 -2.611) 5.131 3.893 ( -12.937 -0.651 -6.947) 14.698 3.988 ( -10.717 -2.690 -2.949) 11.436 5.846 ( -18.075 1.182 -0.695) 18.126 6.088 ( -20.963 1.958 -4.196) 21.469 7.257 ( -16.677 2.303 8.500) 18.859 7.387 ( -25.869 0.538 2.812) 26.027 7.448 ( -23.403 0.237 4.847) 23.900 7.876 ( -11.436 1.076 -4.454) 12.320 12.520 ( 57.925 -2.463 11.617) 59.130 13.342 ( 32.685 -1.735 -13.753) 35.503 16.823 ( 13.615 5.627 -4.539) 15.415 17.181 ( 12.973 -5.612 -13.988) 19.886 18.251 ( 24.228 6.037 10.440) 27.064 18.976 ( 8.718 -1.997 -8.468) 12.317 22.648 ( -14.762 -0.648 20.407) 25.195 23.523 ( -12.306 6.265 12.680) 18.748 23.716 ( -18.725 -6.754 -1.135) 19.939 24.698 ( -13.167 -2.755 -9.757) 16.618 25.012 ( -4.016 4.168 -4.999) 7.648 25.216 ( -1.934 -6.301 -7.041) 9.645 26.459 ( -15.467 -0.787 5.086) 16.301 26.866 ( 2.140 -0.408 -6.727) 7.071 28.242 ( 6.783 2.723 13.747) 15.570 28.534 ( 8.271 -7.714 6.002) 12.803 32.449 ( 10.157 9.359 6.773) 15.383 32.700 ( 13.062 -3.514 -0.857) 13.553 34.988 ( 18.536 0.523 -3.799) 18.929 35.137 ( 17.521 0.714 -7.951) 19.254 36.923 ( 3.238 -1.814 15.759) 16.190 38.197 ( -3.954 -0.878 -24.819) 25.147 41.510 ( -4.282 -0.594 15.883) 16.460 42.232 ( -4.795 0.451 -8.692) 9.937 ======================= Grid point 571 (181/245) ======================= q-point: (-0.46 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 5.000 4.696 0.189) 6.862 2.023 ( 7.056 4.051 -4.210) 9.161 2.867 ( -6.291 6.931 2.967) 9.820 3.226 ( -6.575 3.060 4.268) 8.415 3.650 ( -12.340 -0.401 -5.923) 13.694 3.797 ( -10.461 -2.708 -2.783) 11.158 5.507 ( -15.182 1.312 -2.317) 15.414 5.694 ( -17.292 2.575 -3.922) 17.917 6.751 ( -30.955 2.398 4.548) 31.379 6.839 ( -30.655 -0.610 1.371) 30.692 7.123 ( -9.780 1.252 5.728) 11.403 7.654 ( -10.116 1.793 -6.338) 12.071 13.647 ( 53.326 -1.461 5.265) 53.605 13.982 ( 31.860 -0.501 -4.703) 32.209 17.092 ( 17.648 6.009 -4.579) 19.197 17.534 ( 17.339 -11.494 -18.657) 27.944 18.788 ( 37.705 12.206 10.004) 40.874 19.291 ( 21.762 -3.307 -4.382) 22.444 22.262 ( -24.524 -1.859 9.555) 26.386 23.007 ( -37.120 -0.524 -10.153) 38.487 23.423 ( -14.784 -3.200 14.644) 21.053 24.401 ( -21.566 -7.001 -12.808) 26.041 24.905 ( -4.794 1.564 11.375) 12.443 25.287 ( 6.218 -2.689 -4.189) 7.965 26.155 ( -16.532 -2.067 8.305) 18.617 26.850 ( -3.073 5.055 -9.438) 11.139 28.402 ( 10.656 1.555 14.976) 18.446 28.777 ( 10.728 -12.148 6.391) 17.421 32.588 ( 10.195 12.614 9.878) 18.990 32.997 ( 15.576 -0.795 -2.660) 15.822 35.372 ( 20.411 0.379 -2.239) 20.537 35.503 ( 19.944 -0.207 -6.221) 20.893 37.007 ( 3.848 -2.419 12.115) 12.939 38.093 ( -7.823 -1.699 -22.516) 23.897 41.413 ( -6.059 -1.188 15.007) 16.228 42.115 ( -6.596 1.001 -9.013) 11.213 ======================= Grid point 572 (182/245) ======================= q-point: (-0.38 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -0.684 6.830 6.998) 9.803 2.111 ( 6.042 7.820 4.022) 10.669 2.729 ( -3.925 7.076 3.135) 8.677 3.112 ( -3.333 0.587 10.373) 10.911 3.413 ( -11.671 0.765 -2.050) 11.874 3.600 ( -10.247 1.274 0.309) 10.330 5.253 ( -9.981 0.806 -2.912) 10.428 5.404 ( -10.610 2.207 -3.565) 11.408 6.135 ( -29.225 1.600 1.785) 29.323 6.241 ( -29.727 -0.691 -0.651) 29.742 6.979 ( -4.707 1.138 2.798) 5.593 7.472 ( -7.121 2.400 -8.228) 11.143 14.421 ( 25.132 1.358 1.307) 25.203 14.698 ( 39.141 -4.933 -4.579) 39.715 17.440 ( 21.432 7.236 -2.829) 22.797 17.966 ( 20.082 -8.972 -18.059) 28.459 19.582 ( 45.978 5.911 7.378) 46.940 19.861 ( 37.714 2.802 -1.022) 37.831 21.765 ( -26.334 -4.365 2.039) 26.771 22.221 ( -42.671 -5.546 -11.393) 44.513 23.085 ( -23.685 -6.510 12.838) 27.716 23.905 ( -34.336 -8.990 -12.872) 37.755 24.829 ( -2.005 1.371 24.507) 24.627 25.446 ( 8.185 0.618 -3.380) 8.877 25.849 ( -15.079 -1.763 9.088) 17.694 26.690 ( -7.661 11.946 -9.854) 17.277 28.616 ( 10.287 -2.075 15.770) 18.942 29.083 ( 11.374 -16.685 6.340) 21.165 32.686 ( 7.870 15.508 13.116) 21.782 33.297 ( 15.395 4.037 -6.194) 17.079 35.751 ( 17.796 0.070 -1.266) 17.841 35.920 ( 21.872 -2.943 -5.177) 22.669 37.086 ( 2.515 -2.146 8.238) 8.877 37.898 ( -13.613 -2.488 -18.068) 22.759 41.297 ( -6.315 -1.924 13.615) 15.131 41.972 ( -6.835 1.788 -9.584) 11.906 ======================= Grid point 573 (183/245) ======================= q-point: (-0.31 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( -1.829 8.208 12.183) 14.804 2.207 ( 9.526 8.336 9.439) 15.790 2.610 ( -5.074 6.194 5.584) 9.761 3.072 ( -2.408 -0.087 12.108) 12.345 3.200 ( -8.346 1.697 3.170) 9.088 3.401 ( -6.282 7.262 7.415) 12.132 5.112 ( -4.212 0.056 -3.584) 5.531 5.260 ( -3.270 1.006 -4.254) 5.459 5.650 ( -18.452 0.533 -1.599) 18.528 5.741 ( -20.231 -0.768 -3.474) 20.541 6.914 ( -1.688 0.856 0.317) 1.918 7.353 ( -3.458 2.781 -9.793) 10.751 14.767 ( 11.812 0.601 2.787) 12.151 15.376 ( 23.755 -11.531 -12.144) 29.065 17.794 ( 18.543 12.869 -3.142) 22.788 18.377 ( 16.377 -3.486 -18.516) 24.964 20.318 ( 29.259 3.295 10.100) 31.128 20.749 ( 46.420 3.454 -2.922) 46.640 21.423 ( -5.155 -6.528 -0.915) 8.368 21.525 ( -26.831 -9.230 -5.217) 28.850 22.568 ( -33.728 -12.312 8.908) 36.993 23.168 ( -45.689 -9.229 -9.823) 47.636 24.800 ( -0.054 3.342 35.376) 35.533 25.503 ( -3.932 2.539 3.436) 5.806 25.687 ( 0.391 -1.843 -0.671) 2.000 26.447 ( -7.179 18.199 -9.971) 21.958 28.805 ( 6.231 -5.838 16.963) 18.991 29.385 ( 7.659 -20.721 5.427) 22.748 32.709 ( 4.045 16.643 15.561) 23.141 33.518 ( 10.394 10.240 -11.126) 18.349 36.046 ( 11.251 -2.101 0.200) 11.447 36.378 ( 21.576 -5.652 -6.878) 23.341 37.121 ( 0.092 -1.021 5.065) 5.167 37.594 ( -18.070 -2.159 -10.800) 21.162 41.205 ( -4.060 -2.662 11.928) 12.878 41.844 ( -4.501 2.655 -10.184) 11.446 ======================= Grid point 574 (184/245) ======================= q-point: (-0.23 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.000 8.501 14.805) 17.072 2.358 ( 0.000 2.689 -2.688) 3.803 2.447 ( 0.000 8.616 23.948) 25.451 2.979 ( 0.000 9.901 13.851) 17.026 3.140 ( -0.000 -4.540 0.502) 4.568 3.299 ( 0.000 8.608 13.954) 16.395 5.077 ( -0.000 -0.281 -4.547) 4.556 5.240 ( 0.000 0.528 -5.532) 5.558 5.454 ( 0.000 0.229 -2.848) 2.857 5.532 ( -0.000 -0.937 -5.308) 5.390 6.894 ( 0.000 0.735 -0.582) 0.938 7.303 ( 0.000 3.165 -10.322) 10.796 14.882 ( -0.000 -0.177 4.238) 4.242 15.703 ( -0.000 -15.252 -16.468) 22.446 17.909 ( 0.000 16.260 -3.920) 16.726 18.559 ( 0.000 0.226 -20.407) 20.408 20.568 ( 0.000 0.205 12.069) 12.071 21.078 ( -0.000 -6.105 -5.310) 8.092 21.410 ( 0.000 0.099 2.438) 2.440 21.947 ( 0.000 3.698 -10.212) 10.861 22.054 ( -0.000 -18.127 11.340) 21.382 22.505 ( -0.000 -16.860 -3.170) 17.156 24.776 ( 0.000 4.183 39.068) 39.292 25.431 ( 0.000 0.671 4.851) 4.898 25.725 ( -0.000 -0.553 -4.255) 4.291 26.246 ( 0.000 22.510 -9.976) 24.622 28.909 ( -0.000 -7.591 17.627) 19.192 29.594 ( -0.000 -23.393 3.465) 23.648 32.655 ( 0.000 15.205 16.541) 22.468 33.548 ( 0.000 15.827 -14.087) 21.188 36.183 ( -0.000 -4.198 1.846) 4.586 36.705 ( -0.000 -8.459 -11.753) 14.481 37.118 ( -0.000 -0.191 3.654) 3.659 37.347 ( 0.000 0.175 -3.240) 3.245 41.181 ( -0.000 -3.271 10.659) 11.150 41.780 ( 0.000 3.285 -10.182) 10.699 ======================= Grid point 581 (185/245) ======================= q-point: (-0.69 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( 13.282 0.000 -13.007) 18.590 1.724 ( 7.361 0.000 -20.814) 22.077 3.231 ( -5.927 -0.000 -2.712) 6.518 3.383 ( 1.909 0.000 -5.611) 5.927 4.131 ( -11.029 -0.000 -7.907) 13.571 4.164 ( -9.087 -0.000 -1.696) 9.244 6.198 ( -15.884 -0.000 1.837) 15.990 6.493 ( -17.196 -0.000 -3.044) 17.464 7.579 ( -15.418 -0.000 9.102) 17.905 7.833 ( -17.532 -0.000 2.574) 17.720 7.853 ( -16.077 -0.000 5.103) 16.867 8.102 ( -10.311 -0.000 -2.380) 10.582 11.446 ( 46.460 0.000 16.413) 49.274 12.727 ( 25.806 0.000 -23.884) 35.162 16.575 ( 14.728 0.000 -0.141) 14.728 17.063 ( 0.732 0.000 -16.892) 16.908 17.832 ( 18.900 0.000 17.244) 25.585 18.915 ( -0.995 -0.000 -13.270) 13.307 22.827 ( -4.365 -0.000 28.677) 29.007 23.765 ( -9.492 -0.000 16.841) 19.332 23.859 ( -1.592 -0.000 6.499) 6.691 24.900 ( -6.156 -0.000 -13.156) 14.525 25.183 ( -3.090 -0.000 -7.300) 7.927 25.191 ( -8.673 -0.000 -19.049) 20.931 26.771 ( -15.502 -0.000 0.396) 15.507 26.795 ( 2.055 0.000 -1.408) 2.491 28.157 ( 4.979 0.000 11.812) 12.818 28.341 ( 4.795 0.000 6.168) 7.813 32.367 ( 9.654 0.000 3.058) 10.126 32.428 ( 6.928 0.000 1.062) 7.009 34.677 ( 13.456 0.000 -5.621) 14.583 34.843 ( 12.838 0.000 -9.496) 15.968 36.862 ( 1.405 0.000 18.370) 18.424 38.246 ( -1.950 -0.000 -25.820) 25.894 41.571 ( -2.412 -0.000 16.349) 16.526 42.307 ( -2.604 -0.000 -8.595) 8.981 ======================= Grid point 583 (186/245) ======================= q-point: (-0.62 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 11.786 1.271 -6.178) 13.367 1.889 ( 9.110 0.182 -13.095) 15.953 3.092 ( -7.446 2.123 -0.071) 7.744 3.371 ( -3.202 0.701 -2.186) 3.940 3.890 ( -12.722 -0.014 -8.897) 15.524 3.963 ( -11.311 -1.300 -0.958) 11.425 5.856 ( -17.977 0.500 -0.589) 17.993 6.104 ( -20.844 0.661 -3.986) 21.232 7.276 ( -16.542 0.880 7.692) 18.265 7.392 ( -26.615 0.309 2.739) 26.757 7.448 ( -22.937 -0.054 5.500) 23.587 7.885 ( -11.324 0.371 -4.353) 12.138 12.501 ( 58.397 -0.873 11.821) 59.588 13.327 ( 33.430 -0.697 -13.607) 36.100 16.872 ( 16.266 2.349 -7.152) 17.923 17.133 ( 6.912 -2.314 -14.173) 15.937 18.299 ( 28.861 2.167 11.924) 31.302 18.960 ( 6.843 -0.709 -7.055) 9.854 22.644 ( -15.062 -0.057 19.923) 24.976 23.584 ( -11.091 4.217 13.337) 17.852 23.650 ( -20.000 -4.477 -1.935) 20.586 24.673 ( -14.970 -1.264 -10.746) 18.471 25.060 ( -6.052 3.616 -2.190) 7.382 25.151 ( 0.526 -4.320 -9.605) 10.545 26.455 ( -16.374 -0.054 5.091) 17.147 26.862 ( 3.718 -0.157 -6.211) 7.241 28.272 ( 7.591 1.873 13.304) 15.432 28.463 ( 6.630 -3.804 7.378) 10.624 32.555 ( 11.854 8.533 3.936) 15.127 32.643 ( 12.652 -6.360 1.389) 14.228 34.993 ( 18.461 0.217 -3.721) 18.833 35.142 ( 17.367 0.202 -7.817) 19.046 36.908 ( 3.071 -0.668 15.839) 16.147 38.190 ( -4.138 -0.314 -24.953) 25.295 41.505 ( -4.403 -0.205 16.016) 16.612 42.235 ( -4.683 0.156 -8.801) 9.970 ======================= Grid point 584 (187/245) ======================= q-point: (-0.54 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 5.694 2.892 -0.392) 6.398 2.058 ( 8.375 1.917 -4.616) 9.753 2.933 ( -6.373 4.221 2.112) 7.930 3.252 ( -7.662 1.311 5.588) 9.573 3.657 ( -10.779 1.542 -8.059) 13.546 3.760 ( -10.444 -3.424 -1.692) 11.121 5.522 ( -15.223 0.991 -1.917) 15.375 5.716 ( -17.480 1.312 -3.426) 17.860 6.778 ( -31.096 2.220 3.935) 31.423 6.829 ( -30.999 -1.196 1.882) 31.080 7.135 ( -9.793 0.723 5.969) 11.491 7.670 ( -9.986 0.914 -6.388) 11.890 13.634 ( 54.402 -0.762 6.118) 54.750 13.974 ( 31.383 -0.591 -4.048) 31.648 17.173 ( 18.057 7.919 -9.299) 21.800 17.402 ( 16.753 -11.002 -16.431) 25.917 18.920 ( 38.177 9.784 7.915) 40.197 19.243 ( 21.529 -4.603 -1.128) 22.044 22.247 ( -25.082 -0.790 8.718) 26.566 22.996 ( -40.085 -1.102 -12.922) 42.130 23.400 ( -14.387 -0.924 15.864) 21.436 24.334 ( -22.589 -4.316 -11.562) 25.740 24.920 ( -5.899 0.968 12.000) 13.407 25.260 ( 8.075 -1.804 -5.049) 9.692 26.140 ( -16.161 -0.707 9.076) 18.549 26.895 ( -0.484 2.672 -9.334) 9.721 28.434 ( 10.379 3.778 14.058) 17.878 28.649 ( 8.556 -9.638 8.543) 15.462 32.733 ( 12.101 11.887 7.234) 18.441 32.961 ( 15.947 -5.278 -0.334) 16.801 35.377 ( 20.573 0.406 -2.355) 20.711 35.499 ( 18.807 -0.347 -6.170) 19.796 36.985 ( 3.935 -1.382 12.101) 12.800 38.077 ( -8.096 -0.937 -22.646) 24.068 41.402 ( -6.238 -0.610 15.319) 16.551 42.124 ( -6.392 0.521 -9.269) 11.271 ======================= Grid point 585 (188/245) ======================= q-point: (-0.46 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.228 5.285 4.711) 7.084 2.185 ( 6.724 4.748 1.951) 8.459 2.805 ( -3.944 5.824 3.933) 8.059 3.105 ( -6.398 -1.657 11.170) 12.978 3.441 ( -9.654 3.947 -1.520) 10.540 3.598 ( -7.768 -1.687 -1.642) 8.117 5.266 ( -10.104 1.193 -1.913) 10.353 5.424 ( -11.401 1.203 -2.587) 11.752 6.155 ( -29.734 1.892 1.628) 29.839 6.229 ( -29.892 -1.299 -0.057) 29.921 6.991 ( -4.927 0.788 2.831) 5.737 7.494 ( -7.146 1.434 -8.371) 11.100 14.444 ( 25.458 2.800 1.418) 25.651 14.633 ( 35.962 -6.088 -2.508) 36.559 17.529 ( 23.390 7.891 -7.714) 25.862 17.861 ( 22.802 -8.843 -16.992) 29.780 19.655 ( 40.250 6.226 7.052) 41.335 19.880 ( 42.756 0.367 -0.005) 42.758 21.720 ( -28.295 -3.190 0.782) 28.485 22.163 ( -44.519 -4.177 -12.683) 46.479 23.025 ( -25.853 -3.934 12.731) 29.085 23.814 ( -34.134 -6.343 -11.931) 36.711 24.843 ( -1.349 0.957 26.339) 26.391 25.449 ( 9.671 -0.051 -3.897) 10.427 25.836 ( -14.854 -0.544 10.397) 18.139 26.805 ( -5.273 7.703 -10.208) 13.833 28.612 ( 9.024 1.727 14.653) 17.296 28.903 ( 9.822 -14.132 8.898) 19.374 32.870 ( 9.703 15.719 10.990) 21.494 33.304 ( 16.092 -2.674 -3.359) 16.655 35.761 ( 18.092 1.571 -2.298) 18.305 35.882 ( 19.786 -3.484 -5.201) 20.753 37.065 ( 3.050 -1.490 8.069) 8.754 37.874 ( -13.681 -1.665 -18.011) 22.679 41.279 ( -6.478 -1.151 14.189) 15.640 41.989 ( -6.580 1.107 -10.025) 12.042 ======================= Grid point 586 (189/245) ======================= q-point: (-0.38 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( -1.037 7.784 9.247) 12.132 2.286 ( 7.122 5.002 4.377) 9.742 2.688 ( -4.741 7.235 8.791) 12.333 3.041 ( -1.957 -4.784 9.289) 10.630 3.241 ( -7.995 5.165 5.473) 10.980 3.476 ( -3.542 5.018 5.480) 8.231 5.118 ( -4.385 0.932 -1.690) 4.791 5.266 ( -4.248 0.076 -2.688) 5.028 5.657 ( -18.950 0.748 -1.744) 19.044 5.730 ( -20.300 -1.100 -2.993) 20.549 6.923 ( -1.874 0.630 0.222) 1.990 7.379 ( -3.566 1.761 -9.972) 10.736 14.780 ( 11.470 1.680 1.855) 11.740 15.239 ( 19.670 -11.679 -9.598) 24.807 17.942 ( 21.966 12.204 -7.744) 26.295 18.334 ( 19.560 -3.936 -17.643) 26.634 20.357 ( 30.065 3.248 10.363) 31.967 20.797 ( 43.265 4.853 -3.538) 43.680 21.336 ( -3.989 -8.528 -1.796) 9.584 21.423 ( -28.841 -7.687 -6.297) 30.505 22.445 ( -36.115 -8.742 9.618) 38.382 23.071 ( -45.548 -7.091 -10.179) 47.207 24.840 ( 1.533 3.247 38.415) 38.582 25.532 ( -5.668 2.493 4.692) 7.769 25.665 ( 2.127 -1.945 -1.329) 3.174 26.630 ( -5.491 13.044 -10.608) 17.687 28.755 ( 5.153 -2.368 16.068) 17.039 29.164 ( 6.717 -17.274 8.244) 20.284 32.917 ( 5.123 18.602 14.152) 23.928 33.584 ( 11.037 1.238 -7.782) 13.562 36.037 ( 10.552 0.631 -2.077) 10.773 36.308 ( 19.688 -6.359 -7.224) 21.915 37.110 ( 0.828 -0.790 4.949) 5.079 37.572 ( -17.090 -1.550 -10.450) 20.092 41.180 ( -4.151 -1.714 12.836) 13.599 41.870 ( -4.302 1.808 -10.804) 11.769 ======================= Grid point 587 (190/245) ======================= q-point: (-0.31 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.000 9.059 11.951) 14.996 2.381 ( 0.000 1.037 -2.646) 2.842 2.555 ( 0.000 9.878 20.465) 22.725 3.079 ( -0.000 -6.098 2.893) 6.750 3.088 ( 0.000 8.803 11.202) 14.247 3.403 ( 0.000 8.721 12.173) 14.975 5.075 ( 0.000 0.244 -2.608) 2.619 5.240 ( -0.000 -0.519 -3.368) 3.407 5.457 ( 0.000 0.313 -3.277) 3.292 5.521 ( -0.000 -0.986 -5.158) 5.251 6.902 ( 0.000 0.588 -0.674) 0.894 7.334 ( 0.000 2.164 -10.590) 10.809 14.884 ( 0.000 0.739 2.431) 2.541 15.520 ( -0.000 -15.904 -13.187) 20.660 18.101 ( 0.000 16.356 -9.065) 18.700 18.559 ( -0.000 -0.395 -19.716) 19.720 20.573 ( 0.000 0.743 10.288) 10.315 21.003 ( -0.000 -6.414 -5.317) 8.331 21.417 ( 0.000 0.900 3.824) 3.929 21.862 ( -0.000 -14.623 10.550) 18.032 21.985 ( 0.000 2.775 -9.275) 9.681 22.306 ( -0.000 -16.644 -5.050) 17.393 24.834 ( 0.000 5.295 43.664) 43.984 25.440 ( 0.000 0.705 4.456) 4.511 25.719 ( -0.000 -0.580 -4.418) 4.456 26.479 ( 0.000 17.371 -10.918) 20.517 28.831 ( -0.000 -5.366 17.095) 17.917 29.341 ( -0.000 -19.903 7.183) 21.160 32.856 ( 0.000 18.990 15.693) 24.635 33.678 ( 0.000 6.259 -11.571) 13.156 36.148 ( -0.000 -1.579 -0.698) 1.726 36.604 ( -0.000 -8.847 -11.770) 14.724 37.116 ( -0.000 -0.176 3.701) 3.705 37.349 ( 0.000 0.161 -3.321) 3.325 41.149 ( -0.000 -2.256 11.914) 12.126 41.814 ( 0.000 2.415 -11.001) 11.262 ======================= Grid point 596 (191/245) ======================= q-point: (-0.62 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 5.907 0.000 -0.643) 5.941 2.069 ( 8.870 0.000 -4.699) 10.038 2.959 ( -6.390 -0.000 1.721) 6.618 3.259 ( -8.220 -0.000 6.108) 10.241 3.673 ( -9.028 -0.000 -11.338) 14.493 3.733 ( -11.483 -0.000 1.246) 11.550 5.528 ( -15.213 -0.000 -1.812) 15.320 5.724 ( -17.559 -0.000 -3.220) 17.852 6.795 ( -30.914 -0.000 3.634) 31.126 6.817 ( -31.371 -0.000 2.151) 31.444 7.139 ( -9.796 -0.000 6.046) 11.512 7.675 ( -9.949 -0.000 -6.401) 11.830 13.629 ( 54.854 0.000 6.420) 55.228 13.971 ( 31.114 0.000 -3.810) 31.347 17.261 ( 22.439 0.000 -13.251) 26.059 17.297 ( 12.327 0.000 -13.347) 18.169 18.986 ( 40.180 0.000 6.667) 40.730 19.208 ( 19.620 0.000 0.561) 19.628 22.243 ( -25.330 -0.000 8.365) 26.676 22.988 ( -40.843 -0.000 -13.680) 43.073 23.396 ( -14.528 -0.000 16.047) 21.646 24.308 ( -22.845 -0.000 -11.001) 25.355 24.926 ( -6.453 -0.000 12.235) 13.832 25.249 ( 8.831 0.000 -5.494) 10.400 26.136 ( -16.040 -0.000 9.370) 18.576 26.911 ( 0.408 0.000 -9.204) 9.213 28.469 ( 11.577 0.000 13.597) 17.858 28.579 ( 6.555 0.000 9.335) 11.407 32.835 ( 12.220 0.000 6.031) 13.627 32.898 ( 16.587 0.000 0.794) 16.606 35.380 ( 20.715 0.000 -2.407) 20.855 35.497 ( 18.325 0.000 -6.131) 19.324 36.976 ( 3.974 0.000 12.089) 12.726 38.072 ( -8.190 -0.000 -22.699) 24.131 41.399 ( -6.294 -0.000 15.421) 16.656 42.127 ( -6.324 -0.000 -9.355) 11.292 ======================= Grid point 598 (192/245) ======================= q-point: (-0.54 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 0.868 2.017 3.280) 3.947 2.221 ( 6.929 1.533 1.022) 7.170 2.856 ( -3.195 2.577 4.120) 5.816 3.083 ( -9.070 -1.377 11.539) 14.741 3.497 ( -8.855 5.020 0.286) 10.183 3.563 ( -5.804 -4.002 -3.914) 8.064 5.277 ( -10.027 0.612 -1.537) 10.162 5.432 ( -11.959 0.326 -1.850) 12.105 6.176 ( -30.196 1.465 1.422) 30.265 6.213 ( -29.840 -1.261 0.448) 29.870 6.997 ( -5.068 0.280 2.806) 5.800 7.505 ( -7.190 0.466 -8.433) 11.092 14.484 ( 24.303 3.588 1.045) 24.589 14.565 ( 35.459 -4.915 -0.917) 35.810 17.615 ( 23.230 5.998 -11.267) 26.506 17.768 ( 25.667 -6.296 -15.420) 30.597 19.714 ( 34.027 3.232 6.774) 34.845 19.874 ( 48.703 -0.768 0.721) 48.715 21.694 ( -29.712 -1.175 0.036) 29.735 22.129 ( -45.374 -1.533 -13.568) 47.384 22.994 ( -27.161 -1.332 12.741) 30.030 23.763 ( -33.827 -2.246 -11.188) 35.700 24.850 ( -0.957 0.303 27.014) 27.033 25.447 ( 10.505 -0.102 -4.276) 11.342 25.833 ( -14.788 -0.057 11.227) 18.567 26.865 ( -4.077 2.633 -10.131) 11.233 28.659 ( 8.380 6.330 12.900) 16.635 28.758 ( 9.087 -10.632 11.019) 17.805 33.031 ( 10.891 10.339 9.196) 17.609 33.247 ( 16.072 -5.790 -0.850) 17.104 35.784 ( 20.022 2.052 -3.001) 20.349 35.844 ( 16.961 -2.707 -5.187) 17.942 37.053 ( 3.369 -0.530 7.956) 8.656 37.860 ( -13.699 -0.583 -18.011) 22.636 41.271 ( -6.541 -0.379 14.458) 15.873 41.998 ( -6.459 0.372 -10.236) 12.109 ======================= Grid point 599 (193/245) ======================= q-point: (-0.46 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -0.290 4.968 6.681) 8.331 2.323 ( 4.809 1.723 2.090) 5.519 2.777 ( -3.097 7.794 9.902) 12.976 2.972 ( -3.486 -6.819 9.640) 12.312 3.304 ( -7.414 4.899 6.058) 10.755 3.512 ( -0.881 1.395 3.101) 3.512 5.133 ( -4.223 1.420 -0.347) 4.469 5.262 ( -5.351 -0.662 -1.186) 5.521 5.667 ( -19.593 0.791 -1.870) 19.698 5.717 ( -20.059 -1.068 -2.558) 20.250 6.928 ( -2.014 0.328 0.061) 2.042 7.394 ( -3.687 0.802 -10.030) 10.717 14.806 ( 11.312 2.522 1.191) 11.651 15.118 ( 16.956 -8.463 -7.950) 20.551 18.068 ( 24.080 8.940 -10.764) 27.851 18.286 ( 22.038 -4.144 -16.685) 27.950 20.389 ( 30.833 2.181 10.819) 32.749 20.856 ( 44.205 4.854 -4.124) 44.662 21.235 ( -9.459 -7.866 -2.194) 12.496 21.355 ( -27.871 -3.971 -7.838) 29.223 22.368 ( -37.700 -4.561 10.360) 39.362 23.009 ( -45.061 -3.642 -10.088) 46.320 24.870 ( 2.726 1.806 39.781) 39.915 25.560 ( -8.173 2.072 6.649) 10.738 25.643 ( 4.599 -1.698 -2.694) 5.594 26.745 ( -4.606 6.673 -10.486) 13.255 28.755 ( 4.248 2.314 14.399) 15.190 28.988 ( 6.500 -12.581 10.176) 17.438 33.124 ( 6.158 16.096 12.438) 21.253 33.553 ( 10.788 -5.809 -3.644) 12.783 36.060 ( 10.258 3.003 -4.383) 11.552 36.235 ( 18.470 -5.858 -7.295) 20.705 37.103 ( 1.327 -0.425 4.866) 5.061 37.558 ( -16.399 -0.797 -10.279) 19.371 41.165 ( -4.180 -0.821 13.315) 13.980 41.886 ( -4.195 0.906 -11.129) 11.928 ======================= Grid point 600 (194/245) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 0.000 7.446 8.982) 11.667 2.382 ( -0.000 -0.690 -1.087) 1.288 2.672 ( 0.000 10.208 16.739) 19.607 2.999 ( -0.000 -7.560 5.773) 9.512 3.181 ( 0.000 7.057 9.205) 11.599 3.487 ( 0.000 5.409 9.210) 10.681 5.086 ( 0.000 1.554 -0.299) 1.583 5.226 ( -0.000 -1.811 -1.313) 2.237 5.461 ( 0.000 0.337 -3.698) 3.714 5.510 ( -0.000 -0.819 -4.969) 5.036 6.908 ( 0.000 0.360 -0.895) 0.964 7.353 ( 0.000 1.134 -10.659) 10.719 14.901 ( 0.000 2.212 1.054) 2.450 15.347 ( -0.000 -13.215 -11.021) 17.207 18.275 ( 0.000 13.157 -12.406) 18.083 18.548 ( -0.000 -1.592 -18.902) 18.969 20.584 ( 0.000 1.049 8.777) 8.839 20.936 ( -0.000 -5.005 -4.925) 7.022 21.428 ( 0.000 0.862 4.692) 4.770 21.722 ( -0.000 -9.251 9.835) 13.502 22.011 ( 0.000 1.670 -8.577) 8.738 22.135 ( -0.000 -12.153 -6.414) 13.741 24.889 ( 0.000 3.981 46.632) 46.801 25.447 ( 0.000 0.548 4.129) 4.165 25.712 ( -0.000 -0.452 -4.556) 4.578 26.643 ( 0.000 10.687 -10.872) 15.245 28.794 ( -0.000 -0.759 15.745) 15.763 29.136 ( -0.000 -15.332 9.236) 17.899 33.081 ( 0.000 19.052 14.230) 23.780 33.693 ( -0.000 -3.228 -6.698) 7.436 36.150 ( 0.000 1.738 -3.708) 4.096 36.504 ( -0.000 -8.046 -12.019) 14.463 37.114 ( -0.000 -0.123 3.739) 3.741 37.350 ( 0.000 0.112 -3.387) 3.389 41.129 ( -0.000 -1.274 12.628) 12.692 41.836 ( 0.000 1.449 -11.447) 11.538 ======================= Grid point 611 (195/245) ======================= q-point: (-0.54 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.068 0.000 5.579) 5.579 2.332 ( 3.792 0.000 1.755) 4.179 2.847 ( 1.007 0.000 7.848) 7.912 2.907 ( -7.411 -0.000 12.273) 14.337 3.336 ( -7.658 -0.000 6.131) 9.809 3.518 ( 0.515 0.000 2.010) 2.075 5.143 ( -3.926 -0.000 0.028) 3.926 5.257 ( -6.003 -0.000 -0.464) 6.021 5.672 ( -20.040 -0.000 -1.937) 20.134 5.710 ( -19.758 -0.000 -2.369) 19.899 6.930 ( -2.065 -0.000 -0.017) 2.066 7.399 ( -3.738 -0.000 -10.041) 10.715 14.825 ( 11.266 0.000 1.056) 11.316 15.063 ( 16.016 0.000 -7.493) 17.682 18.129 ( 24.769 0.000 -11.830) 27.449 18.253 ( 22.997 0.000 -16.249) 28.159 20.403 ( 31.184 0.000 11.070) 33.090 20.890 ( 47.966 0.000 -4.484) 48.175 21.182 ( -15.136 -0.000 -2.161) 15.290 21.332 ( -27.440 -0.000 -8.608) 28.758 22.341 ( -38.231 -0.000 10.687) 39.696 22.987 ( -44.821 -0.000 -10.011) 45.925 24.881 ( 3.173 0.000 40.150) 40.276 25.574 ( -11.011 -0.000 8.762) 14.072 25.631 ( 7.411 0.000 -4.548) 8.695 26.784 ( -4.338 -0.000 -10.326) 11.201 28.785 ( 3.150 0.000 12.907) 13.286 28.899 ( 7.247 0.000 11.555) 13.639 33.240 ( 6.535 0.000 11.980) 13.646 33.498 ( 10.609 0.000 -2.135) 10.821 36.086 ( 9.514 0.000 -5.526) 11.002 36.192 ( 18.743 0.000 -7.106) 20.045 37.100 ( 1.501 0.000 4.836) 5.064 37.554 ( -16.151 -0.000 -10.230) 19.118 41.161 ( -4.186 -0.000 13.462) 14.098 41.891 ( -4.161 -0.000 -11.229) 11.975 ======================= Grid point 613 (196/245) ======================= q-point: (-0.46 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( 0.000 3.060 6.801) 7.458 2.371 ( -0.000 -0.723 0.641) 0.966 2.787 ( 0.000 9.274 13.152) 16.093 2.905 ( -0.000 -8.324 8.904) 12.190 3.242 ( 0.000 2.966 8.027) 8.557 3.526 ( 0.000 1.519 7.059) 7.221 5.107 ( 0.000 1.534 1.349) 2.043 5.204 ( -0.000 -1.592 -0.098) 1.595 5.464 ( 0.000 0.171 -3.999) 4.003 5.503 ( -0.000 -0.346 -4.800) 4.813 6.911 ( 0.000 0.121 -1.080) 1.087 7.361 ( 0.000 0.336 -10.659) 10.665 14.929 ( 0.000 1.919 0.500) 1.983 15.230 ( -0.000 -5.929 -10.156) 11.760 18.395 ( 0.000 6.648 -13.832) 15.346 18.522 ( -0.000 -2.417 -18.509) 18.666 20.594 ( 0.000 0.554 7.901) 7.921 20.894 ( -0.000 -1.961 -4.592) 4.993 21.435 ( 0.000 0.339 5.110) 5.121 21.650 ( -0.000 -3.112 9.458) 9.957 22.024 ( 0.000 0.552 -8.202) 8.221 22.036 ( -0.000 -4.490 -7.231) 8.512 24.922 ( 0.000 1.446 48.120) 48.141 25.452 ( 0.000 0.209 3.947) 3.952 25.709 ( -0.000 -0.172 -4.636) 4.640 26.725 ( 0.000 3.562 -10.525) 11.111 28.808 ( 0.000 2.301 13.934) 14.123 28.996 ( -0.000 -7.770 10.789) 13.296 33.270 ( 0.000 11.294 13.135) 17.323 33.627 ( -0.000 -5.995 -3.057) 6.729 36.177 ( 0.000 2.017 -5.664) 6.012 36.429 ( -0.000 -4.041 -12.300) 12.946 37.114 ( -0.000 -0.044 3.760) 3.760 37.351 ( 0.000 0.040 -3.424) 3.424 41.119 ( -0.000 -0.408 12.943) 12.949 41.847 ( 0.000 0.481 -11.639) 11.649 ======================= Grid point 700 (197/245) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 245 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 0.000 15.169) 15.169 2.139 ( 0.000 0.000 -11.637) 11.637 2.784 ( 0.000 0.000 20.303) 20.303 3.091 ( 0.000 0.000 -10.445) 10.445 3.145 ( 0.000 0.000 16.442) 16.442 3.308 ( 0.000 0.000 0.810) 0.810 4.992 ( 0.000 0.000 -0.845) 0.845 5.058 ( 0.000 0.000 -6.706) 6.706 5.426 ( 0.000 0.000 0.020) 0.020 5.459 ( 0.000 0.000 -3.297) 3.297 6.909 ( 0.000 0.000 4.262) 4.262 7.039 ( 0.000 0.000 -8.117) 8.117 15.129 ( 0.000 0.000 15.644) 15.644 15.513 ( 0.000 0.000 -22.243) 22.243 17.830 ( 0.000 0.000 14.181) 14.181 18.155 ( 0.000 0.000 -18.006) 18.006 20.878 ( 0.000 0.000 14.030) 14.030 21.090 ( 0.000 0.000 -6.790) 6.790 21.458 ( 0.000 0.000 2.607) 2.607 21.591 ( 0.000 0.000 -10.656) 10.656 22.751 ( 0.000 0.000 6.733) 6.733 22.823 ( 0.000 0.000 -0.379) 0.379 25.200 ( 0.000 0.000 16.271) 16.271 25.464 ( 0.000 0.000 -9.819) 9.819 25.534 ( 0.000 0.000 5.766) 5.766 25.645 ( 0.000 0.000 -5.105) 5.105 29.475 ( 0.000 0.000 20.458) 20.458 29.872 ( 0.000 0.000 -18.539) 18.539 32.711 ( 0.000 0.000 10.546) 10.546 32.879 ( 0.000 0.000 -6.017) 6.017 36.417 ( 0.000 0.000 8.375) 8.375 36.627 ( 0.000 0.000 -12.222) 12.222 37.198 ( 0.000 0.000 3.861) 3.861 37.274 ( 0.000 0.000 -3.673) 3.673 41.408 ( 0.000 0.000 6.580) 6.580 41.545 ( 0.000 0.000 -6.938) 6.938 ======================= Grid point 701 (198/245) ======================= q-point: ( 0.08 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 0.605 -1.036 12.926) 12.981 2.091 ( -5.373 -0.992 -6.455) 8.457 2.691 ( -5.568 -1.697 20.749) 21.550 3.060 ( -4.008 -0.844 -13.200) 13.821 3.297 ( 11.417 -0.153 8.196) 14.055 3.340 ( 4.670 -1.098 3.183) 5.758 5.033 ( 4.237 -0.526 -0.465) 4.295 5.092 ( 3.545 -0.648 -5.601) 6.660 5.636 ( 20.327 -0.021 0.992) 20.351 5.679 ( 21.037 0.004 -3.074) 21.260 6.937 ( 2.865 -0.474 5.027) 5.806 7.079 ( 3.907 -0.797 -8.454) 9.348 14.934 ( -18.812 0.325 12.082) 22.360 15.238 ( -26.063 0.742 -17.692) 31.509 17.757 ( -7.546 -0.305 14.475) 16.327 18.081 ( -7.539 0.428 -17.627) 19.176 20.450 ( -38.267 -0.428 9.836) 39.513 20.615 ( -47.734 -0.214 -6.254) 48.143 21.585 ( 14.415 1.208 1.786) 14.575 21.639 ( 21.540 1.324 -3.602) 21.879 23.189 ( 30.252 6.610 5.721) 31.490 23.277 ( 37.613 1.975 -3.128) 37.794 25.139 ( -5.302 -1.582 11.557) 12.813 25.309 ( -8.150 -4.695 -5.109) 10.703 25.772 ( 14.237 1.492 1.103) 14.357 25.803 ( 14.769 -3.985 -1.822) 15.405 29.369 ( -9.863 2.270 19.647) 22.101 29.745 ( -11.386 3.823 -17.176) 20.959 32.688 ( -2.848 -2.206 11.239) 11.802 32.869 ( -2.623 -4.911 -6.680) 8.696 36.222 ( -17.189 1.103 5.723) 18.150 36.360 ( -21.620 1.099 -7.598) 22.942 37.275 ( 5.849 0.332 7.245) 9.318 37.443 ( 12.152 0.463 -9.574) 15.478 41.456 ( 4.755 0.341 7.269) 8.693 41.602 ( 5.456 -0.435 -7.273) 9.103 ======================= Grid point 702 (199/245) ======================= q-point: ( 0.15 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -2.755 -1.276 7.262) 7.871 1.952 ( -9.257 -3.136 1.535) 9.894 2.669 ( 1.743 -3.765 14.777) 15.348 2.985 ( -3.111 -2.985 -12.158) 12.900 3.480 ( 10.030 1.245 3.426) 10.672 3.545 ( 11.845 -0.535 -0.990) 11.899 5.173 ( 9.863 -0.973 -0.555) 9.926 5.217 ( 8.962 -1.591 -4.265) 10.052 6.156 ( 31.100 -0.291 2.920) 31.238 6.206 ( 31.078 -0.306 -2.009) 31.144 7.034 ( 6.714 -1.034 6.932) 9.706 7.203 ( 8.147 -1.505 -9.149) 12.343 14.447 ( -29.867 -0.613 4.610) 30.227 14.583 ( -38.839 -0.660 -8.501) 39.764 17.541 ( -14.101 1.702 14.119) 20.026 17.851 ( -14.873 3.115 -16.647) 22.539 19.594 ( -51.088 -1.253 4.752) 51.323 19.669 ( -39.262 -2.467 -2.818) 39.440 22.026 ( 28.650 2.482 7.564) 29.735 22.195 ( 33.621 2.522 -8.977) 34.890 23.677 ( 21.828 7.522 13.668) 26.830 23.926 ( 28.611 4.767 -11.006) 31.024 25.055 ( -3.958 -2.582 8.712) 9.911 25.220 ( -4.414 -5.861 -7.329) 10.370 26.085 ( 18.277 1.872 4.318) 18.873 26.160 ( 17.848 -4.802 -2.987) 18.723 29.090 ( -16.243 2.985 17.768) 24.258 29.419 ( -18.176 5.169 -14.297) 23.696 32.630 ( -4.756 -3.793 11.990) 13.445 32.826 ( -5.241 -6.332 -7.408) 11.065 35.814 ( -22.705 0.994 2.477) 22.862 35.885 ( -25.298 0.829 -4.402) 25.691 37.362 ( 2.964 1.117 12.074) 12.483 37.640 ( 7.894 1.235 -15.554) 17.486 41.573 ( 7.039 0.503 8.875) 11.338 41.743 ( 8.063 -0.534 -8.058) 11.412 ======================= Grid point 703 (200/245) ======================= q-point: ( 0.23 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -10.989 -2.511 3.432) 11.783 1.798 ( -9.687 -3.585 -1.874) 10.498 2.781 ( 6.579 -4.539 11.076) 13.659 3.006 ( 3.024 -4.127 -9.027) 10.376 3.684 ( 11.369 1.641 1.929) 11.648 3.765 ( 10.739 0.697 -4.645) 11.721 5.433 ( 16.203 -1.117 -0.344) 16.245 5.474 ( 16.186 -2.869 -3.906) 16.896 6.794 ( 32.624 -0.524 3.942) 32.866 6.837 ( 32.011 -0.523 -0.629) 32.021 7.214 ( 10.900 -1.544 8.912) 14.164 7.410 ( 11.841 -1.932 -9.629) 15.384 13.756 ( -43.284 0.125 2.535) 43.358 13.828 ( -35.952 -1.822 -4.723) 36.306 17.190 ( -20.003 2.967 12.335) 23.687 17.482 ( -19.428 4.976 -16.809) 26.168 18.739 ( -35.872 -4.432 15.645) 39.385 19.048 ( -25.408 -2.443 -14.958) 29.586 22.601 ( 30.289 2.331 12.495) 32.848 22.844 ( 32.445 1.271 -10.692) 34.185 23.945 ( 10.393 5.497 18.865) 22.229 24.312 ( 14.153 4.910 -16.854) 22.549 25.018 ( -1.876 -2.829 8.540) 9.190 25.195 ( -0.784 -2.777 -8.785) 9.247 26.425 ( 17.116 3.372 4.973) 18.140 26.520 ( 16.123 -1.921 -4.490) 16.846 28.741 ( -16.996 1.587 15.714) 23.201 29.021 ( -18.815 3.790 -11.494) 22.372 32.547 ( -5.923 -3.642 11.601) 13.526 32.736 ( -7.266 -4.924 -7.081) 11.278 35.355 ( -23.318 0.347 0.071) 23.321 35.390 ( -24.659 -0.360 -3.367) 24.890 37.379 ( -0.137 1.639 16.115) 16.199 37.739 ( 3.430 1.544 -19.618) 19.975 41.706 ( 6.468 0.479 10.605) 12.431 41.902 ( 7.479 -0.398 -8.969) 11.685 ======================= Grid point 704 (201/245) ======================= q-point: ( 0.31 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -14.974 -2.482 -0.414) 15.184 1.585 ( -13.485 -2.822 -7.719) 15.792 2.951 ( 7.556 -4.234 8.409) 12.072 3.117 ( 4.973 -3.761 -7.243) 9.557 3.898 ( 11.296 1.533 0.505) 11.411 3.959 ( 9.749 1.014 -4.914) 10.965 5.810 ( 21.139 -1.153 1.240) 21.206 5.870 ( 21.825 -3.253 -4.379) 22.496 7.376 ( 23.537 -0.443 7.129) 24.597 7.419 ( 26.373 0.083 0.689) 26.382 7.489 ( 18.279 -2.407 6.555) 19.567 7.675 ( 13.672 -2.148 -9.158) 16.596 12.861 ( -46.665 2.105 11.652) 48.144 13.113 ( -37.741 0.858 -13.351) 40.042 16.785 ( -18.569 -0.553 12.225) 22.239 17.092 ( -16.719 3.908 -18.112) 24.957 18.262 ( -16.978 -5.452 20.988) 27.541 18.692 ( -12.872 -1.037 -21.082) 24.723 23.132 ( 24.089 2.462 17.280) 29.748 23.396 ( 22.647 -2.183 -5.766) 23.471 24.070 ( 6.471 3.066 15.677) 17.235 24.464 ( 4.881 1.569 -20.202) 20.843 24.987 ( -2.739 -0.983 10.101) 10.512 25.212 ( 1.443 1.313 -11.615) 11.778 26.685 ( 11.620 5.162 4.704) 13.557 26.781 ( 10.498 3.005 -5.016) 12.017 28.450 ( -11.812 -1.296 13.388) 17.901 28.677 ( -14.363 0.898 -8.695) 16.814 32.443 ( -6.312 -2.144 10.077) 12.082 32.604 ( -8.249 -2.406 -5.822) 10.379 34.918 ( -20.826 -0.455 -0.946) 20.852 34.952 ( -20.280 -1.545 -4.249) 20.777 37.351 ( -1.390 1.642 19.281) 19.400 37.771 ( 1.026 1.385 -22.304) 22.371 41.811 ( 4.437 0.350 11.984) 12.783 42.029 ( 5.233 -0.227 -9.797) 11.109 ======================= Grid point 705 (202/245) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -16.433 -1.176 -2.275) 16.632 1.335 ( -12.488 -1.766 -14.545) 19.252 3.104 ( 5.539 -3.044 4.933) 8.017 3.216 ( 3.012 -2.315 -5.928) 7.041 4.094 ( 9.016 1.038 -0.697) 9.103 4.129 ( 7.695 0.557 -3.786) 8.594 6.229 ( 19.541 -0.779 3.630) 19.891 6.317 ( 20.551 -2.614 -4.845) 21.276 7.710 ( 14.372 -1.135 10.926) 18.089 7.849 ( 16.481 0.499 -1.227) 16.534 7.901 ( 17.808 -1.492 2.115) 17.995 7.962 ( 14.166 -2.265 -5.286) 15.288 11.964 ( -41.210 4.140 19.341) 45.710 12.382 ( -33.947 3.012 -22.159) 40.650 16.531 ( -8.617 -4.839 11.056) 14.829 16.801 ( -11.063 3.093 -15.121) 18.989 18.082 ( -5.756 -4.542 20.363) 21.643 18.528 ( -4.784 0.222 -22.368) 22.874 23.444 ( 8.480 3.036 24.904) 26.483 23.751 ( 12.578 -5.491 0.387) 13.730 24.192 ( 7.084 3.471 7.578) 10.938 24.542 ( 3.330 -3.024 -21.695) 22.157 24.939 ( -1.264 0.610 10.396) 10.490 25.213 ( -0.214 3.374 -15.097) 15.471 26.817 ( 5.190 4.807 3.783) 8.023 26.894 ( 4.195 6.102 -3.847) 8.345 28.309 ( -4.157 -3.186 9.742) 11.060 28.460 ( -8.005 -1.131 -5.024) 9.519 32.335 ( -5.258 -0.588 7.905) 9.512 32.456 ( -7.199 -0.423 -4.245) 8.368 34.575 ( -14.218 -1.032 -0.800) 14.278 34.630 ( -13.299 -1.629 -6.056) 14.703 37.316 ( -1.270 1.178 21.470) 21.540 37.774 ( 0.119 0.930 -23.944) 23.962 41.875 ( 2.334 0.200 12.873) 13.084 42.108 ( 2.824 -0.103 -10.404) 10.781 ======================= Grid point 706 (203/245) ======================= q-point: ( 0.46 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -8.353 -0.223 -2.165) 8.632 1.158 ( -5.335 -0.593 -21.010) 21.685 3.193 ( 2.146 -1.175 1.924) 3.113 3.259 ( 0.680 -0.666 -4.477) 4.577 4.216 ( 3.470 0.407 -1.399) 3.764 4.236 ( 3.041 0.076 -2.859) 4.175 6.517 ( 8.140 -0.266 5.737) 9.962 6.629 ( 8.596 -0.988 -5.022) 10.004 7.959 ( 8.711 -0.994 7.881) 11.790 8.051 ( 4.694 0.090 -0.765) 4.756 8.144 ( 6.100 -0.483 2.332) 6.548 8.195 ( 6.832 -0.756 -2.909) 7.464 11.325 ( -18.420 2.360 24.517) 30.756 11.860 ( -14.962 1.760 -28.426) 32.171 16.483 ( -0.350 -4.788 4.996) 6.929 16.618 ( -5.411 3.347 -7.076) 9.516 18.044 ( -1.047 -1.912 18.655) 18.782 18.477 ( -0.897 0.280 -22.109) 22.129 23.494 ( 0.362 0.998 30.048) 30.067 23.944 ( 4.102 -2.513 -9.282) 10.454 24.281 ( 3.651 1.919 16.028) 16.551 24.589 ( -0.567 -1.860 -11.921) 12.079 24.971 ( 3.630 -1.045 -2.058) 4.301 25.165 ( -2.287 2.804 -16.116) 16.517 26.855 ( 1.162 1.611 2.600) 3.272 26.906 ( 0.789 3.465 -2.136) 4.146 28.295 ( 0.221 -1.846 5.658) 5.955 28.361 ( -3.033 -0.558 -1.044) 3.256 32.261 ( -2.107 0.007 6.148) 6.499 32.352 ( -3.005 0.119 -3.117) 4.331 34.389 ( -4.995 -0.529 -0.506) 5.049 34.461 ( -4.596 -0.704 -7.207) 8.576 37.293 ( -0.485 0.425 22.583) 22.592 37.770 ( -0.035 0.325 -24.718) 24.720 41.903 ( 0.695 0.064 13.295) 13.313 42.144 ( 0.858 -0.028 -10.718) 10.752 ======================= Grid point 714 (204/245) ======================= q-point: ( 0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( -2.251 -0.000 6.702) 7.070 1.932 ( -9.900 -0.000 2.692) 10.259 2.646 ( 1.826 0.000 14.833) 14.945 2.967 ( -3.251 -0.000 -12.432) 12.850 3.488 ( 9.973 0.000 2.873) 10.379 3.541 ( 12.423 0.000 -0.303) 12.427 5.167 ( 9.925 0.000 -0.830) 9.960 5.207 ( 8.784 0.000 -4.171) 9.724 6.154 ( 31.054 0.000 2.923) 31.191 6.204 ( 31.018 0.000 -1.997) 31.083 7.028 ( 6.687 0.000 6.771) 9.516 7.194 ( 8.164 0.000 -9.022) 12.168 14.443 ( -29.989 -0.000 4.519) 30.327 14.578 ( -39.330 -0.000 -8.553) 40.249 17.552 ( -13.550 -0.000 14.743) 20.023 17.870 ( -14.401 -0.000 -16.856) 22.170 19.587 ( -52.202 -0.000 4.378) 52.385 19.654 ( -38.718 -0.000 -2.458) 38.796 22.040 ( 28.409 0.000 7.635) 29.417 22.210 ( 33.231 0.000 -8.899) 34.402 23.724 ( 20.747 0.000 13.266) 24.626 23.953 ( 28.490 0.000 -9.507) 30.034 25.042 ( -3.844 -0.000 6.445) 7.504 25.180 ( -3.501 -0.000 -6.873) 7.713 26.109 ( 19.004 0.000 1.197) 19.042 26.119 ( 18.214 0.000 0.641) 18.225 29.107 ( -16.762 -0.000 18.163) 24.715 29.450 ( -18.942 -0.000 -15.238) 24.311 32.609 ( -4.400 -0.000 11.245) 12.075 32.787 ( -4.337 -0.000 -6.395) 7.727 35.820 ( -22.997 -0.000 2.448) 23.127 35.890 ( -25.657 -0.000 -4.324) 26.019 37.369 ( 3.027 0.000 12.091) 12.465 37.648 ( 7.896 0.000 -15.613) 17.496 41.577 ( 6.992 0.000 8.530) 11.029 41.740 ( 8.150 0.000 -7.755) 11.250 ======================= Grid point 715 (205/245) ======================= q-point: ( 0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( -11.430 -0.824 3.179) 11.893 1.767 ( -8.804 -1.412 -1.173) 8.993 2.744 ( 6.992 -1.668 11.279) 13.375 2.973 ( 3.305 -1.516 -9.184) 9.878 3.697 ( 11.248 0.594 1.568) 11.372 3.770 ( 10.989 0.223 -4.245) 11.782 5.427 ( 16.546 -0.123 -1.404) 16.606 5.448 ( 15.839 -1.327 -3.075) 16.190 6.790 ( 32.657 -0.166 4.067) 32.909 6.832 ( 32.030 -0.212 -0.535) 32.036 7.201 ( 10.884 -0.553 8.584) 13.873 7.395 ( 11.936 -0.728 -9.561) 15.311 13.759 ( -43.612 0.184 1.492) 43.638 13.812 ( -34.515 -0.871 -4.009) 34.758 17.214 ( -20.748 1.115 13.449) 24.750 17.522 ( -19.938 1.762 -17.261) 26.430 18.704 ( -36.323 -1.533 16.384) 39.877 19.029 ( -24.764 -0.854 -15.809) 29.392 22.620 ( 29.879 0.829 12.207) 32.287 22.853 ( 31.241 0.386 -9.911) 32.778 23.993 ( 8.588 2.310 18.945) 20.928 24.353 ( 13.005 1.835 -15.847) 20.582 24.994 ( -1.488 -1.074 7.388) 7.612 25.167 ( 1.330 -1.524 -9.614) 9.825 26.462 ( 17.629 2.642 2.453) 17.994 26.498 ( 18.328 -1.809 -1.434) 18.473 28.753 ( -18.190 0.556 16.216) 24.375 29.051 ( -20.347 1.305 -12.721) 24.032 32.520 ( -4.991 -1.116 11.005) 12.135 32.695 ( -5.840 -1.944 -6.251) 8.773 35.359 ( -23.510 0.188 -0.229) 23.512 35.387 ( -25.352 -0.197 -2.976) 25.527 37.392 ( -0.221 0.579 16.062) 16.074 37.752 ( 3.272 0.554 -19.604) 19.883 41.710 ( 6.379 0.186 10.213) 12.043 41.899 ( 7.595 -0.154 -8.625) 11.493 ======================= Grid point 716 (206/245) ======================= q-point: ( 0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -14.184 -1.298 -0.826) 14.267 1.558 ( -12.921 -1.715 -7.426) 15.002 2.911 ( 8.245 -2.449 8.950) 12.413 3.082 ( 5.722 -2.201 -7.187) 9.447 3.912 ( 10.998 0.854 0.220) 11.033 3.969 ( 9.580 0.532 -4.838) 10.745 5.803 ( 21.497 -0.027 -0.156) 21.498 5.836 ( 21.960 -2.473 -3.180) 22.326 7.373 ( 23.633 -0.159 8.371) 25.072 7.419 ( 27.054 0.011 0.698) 27.063 7.467 ( 17.971 -1.348 5.624) 18.878 7.654 ( 13.657 -1.278 -9.461) 16.663 12.880 ( -45.486 1.173 10.917) 46.792 13.119 ( -36.473 0.309 -12.864) 38.677 16.779 ( -21.038 -0.387 14.251) 25.413 17.127 ( -17.847 2.077 -20.343) 27.142 18.213 ( -16.376 -2.872 23.415) 28.717 18.684 ( -11.798 -0.331 -22.988) 25.841 23.157 ( 24.768 1.657 15.373) 29.198 23.372 ( 20.140 -1.756 -2.170) 20.333 24.100 ( 5.694 1.960 14.133) 15.362 24.480 ( 2.589 1.043 -19.878) 20.073 24.975 ( -1.600 -0.905 10.962) 11.115 25.220 ( 2.749 0.308 -12.946) 13.238 26.740 ( 12.076 3.806 3.718) 13.196 26.812 ( 13.026 1.938 -3.674) 13.672 28.436 ( -13.410 -1.016 13.983) 19.401 28.681 ( -16.176 0.061 -9.960) 18.996 32.427 ( -5.120 -0.804 9.819) 11.103 32.580 ( -6.904 -1.556 -5.368) 8.882 34.916 ( -21.266 0.067 -1.630) 21.329 34.935 ( -20.441 -1.214 -3.515) 20.777 37.366 ( -1.657 0.892 19.150) 19.242 37.784 ( 0.749 0.768 -22.210) 22.236 41.815 ( 4.339 0.210 11.693) 12.473 42.027 ( 5.323 -0.137 -9.540) 10.925 ======================= Grid point 717 (207/245) ======================= q-point: ( 0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -15.441 -0.384 -3.105) 15.754 1.315 ( -12.043 -1.657 -14.050) 18.579 3.073 ( 6.536 -2.161 5.606) 8.878 3.192 ( 3.931 -1.783 -5.927) 7.332 4.104 ( 8.715 0.761 -0.981) 8.803 4.134 ( 7.309 0.324 -3.792) 8.241 6.224 ( 19.895 -0.084 2.359) 20.035 6.288 ( 21.201 -2.349 -3.748) 21.657 7.699 ( 14.240 -0.725 11.856) 18.543 7.857 ( 16.517 0.877 -0.833) 16.561 7.885 ( 18.274 -1.146 1.720) 18.390 7.936 ( 14.601 -2.045 -6.054) 15.938 12.005 ( -41.134 2.922 18.643) 45.256 12.411 ( -33.836 1.845 -21.550) 40.158 16.480 ( -9.954 -3.717 14.732) 18.164 16.832 ( -10.918 2.198 -20.066) 22.949 18.036 ( -4.974 -3.279 23.952) 24.682 18.536 ( -3.989 0.901 -24.640) 24.977 23.485 ( 8.010 4.045 22.341) 24.076 23.681 ( 12.127 -6.342 7.057) 15.398 24.233 ( 8.051 3.218 2.397) 8.996 24.509 ( 1.387 -2.557 -20.791) 20.994 24.942 ( -1.375 0.114 11.930) 12.009 25.243 ( -0.219 1.723 -16.211) 16.304 26.876 ( 4.512 4.829 4.456) 7.971 26.967 ( 5.191 5.965 -4.578) 9.137 28.269 ( -4.909 -3.491 10.598) 12.190 28.440 ( -8.940 -2.032 -6.170) 11.051 32.334 ( -4.358 0.249 7.814) 8.951 32.451 ( -6.503 -0.419 -3.961) 7.626 34.565 ( -14.209 -0.659 -1.208) 14.276 34.612 ( -13.034 -1.319 -5.682) 14.280 37.327 ( -1.677 0.783 21.337) 21.417 37.783 ( -0.219 0.635 -23.842) 23.851 41.877 ( 2.249 0.149 12.707) 12.905 42.107 ( 2.878 -0.078 -10.259) 10.655 ======================= Grid point 718 (208/245) ======================= q-point: ( 0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -7.712 0.642 -3.014) 8.304 1.147 ( -4.969 -1.250 -20.517) 21.147 3.181 ( 3.502 -0.794 2.224) 4.224 3.250 ( 1.375 -0.819 -4.462) 4.741 4.221 ( 3.059 0.447 -1.656) 3.507 4.236 ( 2.888 -0.069 -2.743) 3.984 6.515 ( 8.465 0.021 5.117) 9.892 6.616 ( 9.629 -1.124 -4.561) 10.713 7.949 ( 9.378 -0.672 8.676) 12.794 8.055 ( 4.991 0.600 -1.162) 5.159 8.136 ( 6.390 -0.871 2.297) 6.845 8.186 ( 7.669 -0.773 -3.080) 8.300 11.351 ( -20.686 1.966 24.046) 31.780 11.877 ( -16.808 1.073 -28.000) 32.675 16.422 ( 0.410 -5.120 9.956) 11.202 16.665 ( -4.676 3.977 -13.502) 14.832 18.016 ( 0.311 -2.653 21.691) 21.855 18.491 ( -0.400 1.836 -23.672) 23.747 23.509 ( -0.720 1.554 29.211) 29.261 23.901 ( 5.742 -4.513 -3.133) 7.947 24.318 ( 2.837 4.068 9.636) 10.837 24.561 ( 1.224 -2.818 -12.621) 12.989 24.957 ( 2.676 -1.408 0.971) 3.176 25.189 ( -4.135 1.367 -17.217) 17.759 26.883 ( -0.540 3.110 4.028) 5.117 26.965 ( -0.929 6.097 -3.809) 7.249 28.260 ( 0.818 -3.859 6.535) 7.634 28.345 ( -2.620 -2.099 -1.840) 3.829 32.267 ( -1.705 0.953 5.928) 6.241 32.353 ( -3.056 0.053 -2.829) 4.165 34.384 ( -4.466 -0.432 -0.674) 4.538 34.452 ( -3.908 -0.755 -7.062) 8.106 37.297 ( -0.976 0.286 22.531) 22.554 37.773 ( -0.408 0.237 -24.682) 24.686 41.904 ( 0.623 0.056 13.240) 13.255 42.143 ( 0.891 -0.025 -10.671) 10.708 ======================= Grid point 719 (209/245) ======================= q-point: (-0.54 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 8.918 1.129 -2.457) 9.319 1.160 ( 5.837 -0.280 -20.814) 21.619 3.208 ( -0.780 1.428 1.306) 2.087 3.265 ( 0.083 0.201 -4.111) 4.116 4.212 ( -3.902 -0.320 -1.234) 4.105 4.235 ( -3.226 -0.164 -2.893) 4.337 6.521 ( -7.726 0.468 5.995) 9.791 6.639 ( -7.560 0.639 -5.236) 9.219 7.972 ( -7.885 1.096 7.227) 10.752 8.053 ( -4.689 0.489 -0.573) 4.750 8.147 ( -5.536 -0.094 2.638) 6.133 8.203 ( -5.930 0.608 -2.930) 6.642 11.298 ( 15.980 -2.221 24.744) 29.540 11.837 ( 12.987 -2.119 -28.600) 31.482 16.504 ( 3.963 -1.793 3.460) 5.558 16.615 ( 3.164 3.223 -6.215) 7.683 18.056 ( 2.890 0.232 19.026) 19.245 18.487 ( 1.224 1.944 -21.702) 21.823 23.487 ( -1.320 -0.295 30.035) 30.066 23.952 ( -2.187 -1.114 -12.121) 12.367 24.279 ( -4.985 1.456 19.862) 20.530 24.604 ( 2.434 0.764 -11.118) 11.407 24.979 ( -3.598 0.320 -5.228) 6.355 25.125 ( -0.421 -3.883 -14.939) 15.441 26.844 ( -2.422 -0.257 2.386) 3.410 26.893 ( -3.540 1.134 -2.065) 4.252 28.300 ( 1.045 -0.958 5.385) 5.569 28.357 ( 3.105 -1.132 -0.420) 3.332 32.268 ( 2.517 1.131 5.634) 6.274 32.350 ( 2.913 -0.176 -2.785) 4.034 34.396 ( 5.574 0.500 -0.426) 5.612 34.468 ( 5.321 0.470 -7.213) 8.976 37.288 ( -0.039 -0.481 22.656) 22.661 37.766 ( -0.362 -0.346 -24.784) 24.789 41.903 ( -0.770 -0.056 13.348) 13.371 42.144 ( -0.824 0.024 -10.764) 10.796 ======================= Grid point 720 (210/245) ======================= q-point: (-0.46 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 17.396 1.916 -2.070) 17.623 1.353 ( 13.235 1.281 -14.531) 19.697 3.141 ( -4.443 3.302 3.981) 6.819 3.243 ( -1.889 2.139 -5.775) 6.441 4.081 ( -9.449 -1.093 -0.375) 9.519 4.121 ( -8.137 -0.689 -3.734) 8.979 6.241 ( -19.019 1.214 4.532) 19.589 6.346 ( -19.832 2.353 -5.595) 20.740 7.724 ( -14.635 1.335 9.768) 17.646 7.845 ( -16.541 -0.135 -1.359) 16.597 7.918 ( -17.101 1.446 2.682) 17.371 7.987 ( -13.600 2.173 -4.767) 14.575 11.913 ( 41.275 -4.445 19.929) 46.049 12.343 ( 34.075 -3.708 -22.652) 41.085 16.584 ( 7.255 3.922 6.662) 10.602 16.766 ( 10.707 -2.543 -10.651) 15.315 18.136 ( 7.357 4.383 18.011) 19.943 18.535 ( 5.386 1.418 -20.028) 20.788 23.414 ( -8.993 -2.093 26.218) 27.797 23.802 ( -12.895 3.001 -7.278) 15.108 24.159 ( -6.866 -1.924 14.879) 16.500 24.576 ( -4.830 2.729 -22.130) 22.814 24.928 ( 1.005 -1.113 7.870) 8.012 25.164 ( 0.300 -4.958 -13.501) 14.385 26.772 ( -6.127 -2.651 2.979) 7.311 26.834 ( -3.851 -4.047 -3.114) 6.395 28.338 ( 3.924 1.638 8.756) 9.734 28.463 ( 7.158 -0.760 -3.457) 7.985 32.349 ( 6.323 1.776 7.246) 9.780 32.460 ( 7.907 0.248 -3.932) 8.835 34.588 ( 14.310 1.166 -0.474) 14.365 34.648 ( 13.589 1.510 -6.290) 15.050 37.301 ( 0.770 -1.348 21.652) 21.708 37.762 ( -0.530 -1.034 -24.098) 24.125 41.873 ( -2.428 -0.201 13.061) 13.286 42.109 ( -2.763 0.102 -10.570) 10.925 ======================= Grid point 721 (211/245) ======================= q-point: (-0.38 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 15.915 3.270 -0.178) 16.248 1.620 ( 14.350 3.071 -7.816) 16.626 3.005 ( -6.631 4.991 7.575) 11.236 3.165 ( -3.912 4.287 -7.327) 9.347 3.877 ( -11.734 -1.903 0.909) 11.922 3.946 ( -10.022 -1.354 -4.935) 11.253 5.829 ( -20.724 1.901 2.368) 20.945 5.909 ( -21.546 3.410 -5.260) 22.440 7.383 ( -23.336 0.625 5.815) 24.058 7.418 ( -26.024 0.027 0.725) 26.034 7.520 ( -18.292 2.824 7.376) 19.924 7.702 ( -13.661 2.459 -8.730) 16.398 12.833 ( 48.322 -2.628 12.492) 49.979 13.099 ( 39.512 -1.527 -13.844) 41.895 16.791 ( 15.368 0.453 9.143) 17.888 17.039 ( 15.040 -5.050 -15.248) 22.005 18.336 ( 17.972 7.178 18.041) 26.457 18.709 ( 14.105 1.992 -18.270) 23.167 23.102 ( -23.917 -2.622 18.881) 30.584 23.417 ( -25.362 1.281 -10.074) 27.320 24.034 ( -7.277 -2.807 18.016) 19.632 24.446 ( -7.872 -1.567 -20.326) 21.854 24.995 ( 4.027 0.275 8.588) 9.489 25.187 ( 0.064 -2.942 -9.798) 10.230 26.629 ( -10.885 -4.151 5.627) 12.937 26.749 ( -7.667 -2.423 -6.257) 10.188 28.463 ( 10.050 0.859 12.293) 15.901 28.658 ( 12.196 -2.353 -6.694) 14.110 32.477 ( 8.021 3.668 9.640) 13.066 32.633 ( 9.951 2.415 -5.734) 11.736 34.926 ( 20.393 0.825 -0.438) 20.415 34.970 ( 19.903 1.541 -4.786) 20.528 37.329 ( 1.009 -2.086 19.486) 19.623 37.753 ( -1.414 -1.715 -22.470) 22.580 41.807 ( -4.557 -0.389 12.364) 13.182 42.032 ( -5.119 0.250 -10.133) 11.355 ======================= Grid point 722 (212/245) ======================= q-point: (-0.31 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( 10.747 3.793 3.585) 11.947 1.846 ( 10.668 4.588 -2.755) 11.935 2.845 ( -5.862 6.224 10.654) 13.661 3.064 ( -2.511 5.649 -8.814) 10.766 3.660 ( -11.545 -2.336 2.526) 12.047 3.754 ( -10.365 -1.192 -5.200) 11.657 5.452 ( -16.040 2.022 0.787) 16.186 5.512 ( -16.364 3.563 -4.657) 17.383 6.802 ( -32.572 0.881 3.669) 32.790 6.844 ( -31.935 0.606 -0.670) 31.948 7.236 ( -11.003 2.179 9.375) 14.619 7.437 ( -11.716 2.527 -9.695) 15.416 13.756 ( 43.820 0.095 3.876) 43.991 13.850 ( 37.332 1.775 -5.423) 37.766 17.149 ( 18.852 -3.825 10.131) 21.741 17.410 ( 18.609 -7.281 -15.800) 25.475 18.805 ( 35.079 6.785 14.230) 38.459 19.084 ( 26.364 3.568 -13.305) 29.746 22.567 ( -31.107 -3.403 12.795) 33.807 22.823 ( -34.493 -2.345 -11.908) 36.566 23.876 ( -12.789 -6.074 18.726) 23.476 24.245 ( -16.285 -6.303 -17.470) 24.700 25.054 ( 3.034 2.965 9.166) 10.101 25.221 ( 3.233 1.406 -7.322) 8.126 26.389 ( -15.555 -2.579 7.614) 17.510 26.546 ( -12.956 2.677 -7.785) 15.350 28.718 ( 15.017 -2.314 14.649) 21.106 28.965 ( 16.339 -5.809 -9.253) 19.655 32.605 ( 7.691 6.198 11.815) 15.400 32.802 ( 9.536 6.086 -7.673) 13.670 35.351 ( 22.757 -0.262 0.362) 22.761 35.394 ( 23.626 0.247 -3.808) 23.932 37.355 ( -0.002 -2.393 16.224) 16.399 37.717 ( -3.698 -2.200 -19.675) 20.140 41.700 ( -6.594 -0.597 11.233) 13.039 41.907 ( -7.300 0.501 -9.520) 12.007 ======================= Grid point 723 (213/245) ======================= q-point: (-0.23 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 3.280 2.931 7.893) 9.036 1.999 ( 8.400 4.755 -0.636) 9.673 2.729 ( -1.540 6.486 14.534) 15.990 3.033 ( 2.690 5.151 -11.470) 12.858 3.461 ( -9.824 -1.938 4.619) 11.027 3.551 ( -10.564 0.543 -2.474) 10.863 5.189 ( -9.792 1.769 0.168) 9.951 5.243 ( -9.340 2.744 -4.494) 10.722 6.161 ( -31.235 0.611 2.887) 31.375 6.211 ( -31.223 0.498 -1.987) 31.290 7.050 ( -6.819 1.730 7.334) 10.162 7.227 ( -8.127 2.435 -9.457) 12.705 14.456 ( 29.454 0.940 4.804) 29.858 14.591 ( 37.419 0.698 -8.227) 38.319 17.516 ( 15.722 -2.565 12.255) 20.098 17.800 ( 16.261 -5.471 -15.959) 23.431 19.618 ( 48.846 2.846 5.493) 49.236 19.708 ( 39.947 4.110 -3.516) 40.312 21.984 ( -29.401 -4.641 7.320) 30.652 22.152 ( -34.747 -4.824 -9.157) 36.256 23.569 ( -23.989 -10.213 14.194) 29.686 23.846 ( -29.397 -8.558 -13.194) 33.339 25.101 ( 4.756 5.070 11.825) 13.717 25.292 ( 5.951 5.763 -7.131) 10.931 26.071 ( -17.136 -0.439 7.824) 18.843 26.229 ( -15.811 7.237 -7.562) 18.962 29.041 ( 14.837 -5.207 16.640) 22.894 29.335 ( 16.219 -9.023 -11.819) 22.004 32.698 ( 5.949 7.893 13.163) 16.460 32.923 ( 7.412 9.889 -9.175) 15.392 35.798 ( 21.851 -1.736 2.490) 22.061 35.871 ( 24.292 -1.629 -4.573) 24.773 37.344 ( -2.771 -2.002 12.033) 12.509 37.620 ( -7.868 -2.162 -15.418) 17.445 41.566 ( -7.132 -0.754 9.731) 12.088 41.751 ( -7.855 0.827 -8.807) 11.829 ======================= Grid point 724 (214/245) ======================= q-point: (-0.15 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -0.309 2.942 12.697) 13.037 2.113 ( 4.934 2.691 -6.825) 8.841 2.728 ( 4.640 4.531 19.860) 20.892 3.078 ( 2.544 2.067 -12.447) 12.871 3.301 ( -8.456 0.544 8.504) 12.005 3.365 ( -4.765 3.089 2.312) 6.132 5.044 ( -4.251 1.429 -0.053) 4.485 5.106 ( -3.579 1.842 -5.462) 6.785 5.637 ( -20.508 0.081 0.960) 20.531 5.679 ( -21.289 -0.003 -3.037) 21.505 6.948 ( -2.952 1.221 5.333) 6.217 7.096 ( -3.929 2.032 -8.829) 9.875 14.927 ( 17.853 -1.040 11.648) 21.342 15.219 ( 24.602 -2.481 -17.013) 30.014 17.766 ( 9.036 1.320 13.151) 16.011 18.072 ( 9.043 -1.048 -17.093) 19.366 20.460 ( 37.403 1.297 9.543) 38.623 20.620 ( 46.280 0.778 -6.140) 46.692 21.557 ( -13.475 -3.653 1.655) 14.059 21.608 ( -20.092 -4.113 -3.426) 20.793 23.068 ( -32.525 -13.002 7.999) 35.929 23.216 ( -37.939 -8.381 -6.653) 39.419 25.183 ( 6.354 5.893 15.340) 17.618 25.390 ( 8.332 7.762 -5.308) 12.564 25.763 ( -13.377 -0.043 3.738) 13.890 25.875 ( -14.951 8.695 -6.597) 18.511 29.318 ( 9.259 -6.207 18.619) 21.701 29.661 ( 10.429 -10.181 -14.753) 20.738 32.743 ( 3.219 7.490 13.224) 15.535 32.971 ( 3.881 11.877 -9.477) 15.683 36.197 ( 16.432 -3.123 5.681) 17.665 36.335 ( 20.724 -3.151 -7.635) 22.309 37.268 ( -5.415 -0.902 7.166) 9.027 37.433 ( -11.685 -1.227 -9.362) 15.023 41.449 ( -4.798 -0.787 8.153) 9.493 41.612 ( -5.326 1.057 -8.053) 9.713 ======================= Grid point 725 (215/245) ======================= q-point: (-0.08 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.000 2.302 14.925) 15.101 2.149 ( 0.000 1.599 -11.479) 11.590 2.792 ( 0.000 1.474 19.809) 19.864 3.091 ( -0.000 -0.092 -10.019) 10.020 3.165 ( 0.000 3.303 15.966) 16.304 3.326 ( 0.000 2.961 0.745) 3.053 4.998 ( 0.000 0.985 -0.597) 1.152 5.066 ( 0.000 1.360 -6.618) 6.756 5.425 ( -0.000 -0.185 -0.036) 0.188 5.457 ( -0.000 -0.319 -3.271) 3.286 6.914 ( 0.000 0.811 4.429) 4.503 7.048 ( 0.000 1.477 -8.353) 8.483 15.119 ( -0.000 -1.664 15.290) 15.380 15.495 ( -0.000 -3.072 -21.734) 21.950 17.843 ( 0.000 2.217 13.488) 13.669 18.159 ( 0.000 0.742 -17.800) 17.816 20.864 ( -0.000 -2.194 13.353) 13.532 21.072 ( -0.000 -3.134 -7.104) 7.765 21.463 ( 0.000 0.986 3.893) 4.016 21.615 ( 0.000 3.681 -10.901) 11.506 22.671 ( -0.000 -12.619 7.957) 14.918 22.775 ( -0.000 -8.680 -2.263) 8.970 25.230 ( 0.000 5.454 19.184) 19.944 25.534 ( -0.000 -0.045 5.687) 5.687 25.545 ( 0.000 12.875 -12.028) 17.619 25.643 ( -0.000 -0.238 -5.077) 5.082 29.446 ( -0.000 -4.920 19.860) 20.460 29.823 ( -0.000 -8.179 -17.056) 18.916 32.738 ( 0.000 5.037 12.128) 13.133 32.942 ( 0.000 10.155 -8.169) 13.033 36.399 ( -0.000 -3.047 8.287) 8.829 36.607 ( -0.000 -3.441 -12.063) 12.544 37.198 ( -0.000 -0.044 3.877) 3.877 37.275 ( 0.000 0.017 -3.692) 3.693 41.404 ( -0.000 -0.654 7.125) 7.155 41.551 ( 0.000 0.924 -7.424) 7.481 ======================= Grid point 728 (216/245) ======================= q-point: ( 0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( -13.866 -0.000 -1.035) 13.905 1.548 ( -12.734 -0.000 -7.264) 14.661 2.897 ( 8.500 0.000 9.140) 12.482 3.069 ( 5.994 0.000 -7.170) 9.346 3.917 ( 10.892 0.000 0.116) 10.893 3.972 ( 9.522 0.000 -4.798) 10.663 5.807 ( 21.619 0.000 -1.374) 21.662 5.818 ( 22.018 0.000 -2.036) 22.112 7.372 ( 23.662 0.000 8.961) 25.302 7.419 ( 27.407 0.000 0.744) 27.417 7.459 ( 17.784 0.000 5.107) 18.503 7.647 ( 13.638 0.000 -9.574) 16.663 12.887 ( -45.061 -0.000 10.619) 46.296 13.121 ( -36.011 -0.000 -12.656) 38.170 16.776 ( -21.956 -0.000 14.947) 26.561 17.139 ( -18.253 -0.000 -21.194) 27.971 18.196 ( -16.167 -0.000 24.367) 29.242 18.682 ( -11.382 -0.000 -23.659) 26.254 23.167 ( 25.264 0.000 14.431) 29.095 23.360 ( 18.987 0.000 -0.682) 18.999 24.112 ( 5.349 0.000 13.623) 14.635 24.486 ( 1.722 0.000 -19.733) 19.808 24.969 ( -1.134 -0.000 11.250) 11.307 25.222 ( 3.280 0.000 -13.439) 13.834 26.764 ( 12.074 0.000 3.210) 12.493 26.823 ( 14.220 0.000 -3.013) 14.536 28.429 ( -14.070 -0.000 14.162) 19.963 28.681 ( -16.899 -0.000 -10.386) 19.835 32.422 ( -4.699 -0.000 9.587) 10.677 32.571 ( -6.385 -0.000 -5.078) 8.159 34.918 ( -21.835 -0.000 -2.185) 21.944 34.927 ( -20.096 -0.000 -2.935) 20.309 37.372 ( -1.753 -0.000 19.105) 19.185 37.788 ( 0.649 0.000 -22.181) 22.190 41.816 ( 4.301 0.000 11.583) 12.355 42.026 ( 5.357 0.000 -9.443) 10.857 ======================= Grid point 729 (217/245) ======================= q-point: ( 0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -14.765 -0.009 -3.931) 15.280 1.300 ( -11.899 -0.717 -13.477) 17.992 3.055 ( 7.135 -0.785 5.957) 9.328 3.177 ( 4.448 -0.669 -5.892) 7.412 4.110 ( 8.587 0.286 -1.150) 8.669 4.136 ( 7.063 0.097 -3.782) 8.013 6.226 ( 19.876 0.284 1.122) 19.910 6.266 ( 21.778 -1.169 -2.627) 21.967 7.693 ( 14.194 -0.244 12.382) 18.838 7.867 ( 16.794 0.807 0.191) 16.815 7.875 ( 18.354 -0.583 1.529) 18.427 7.917 ( 14.750 -1.062 -7.328) 16.505 12.029 ( -41.084 1.054 18.159) 44.931 12.425 ( -33.770 0.605 -21.118) 39.834 16.449 ( -10.696 -1.376 16.704) 19.883 16.850 ( -10.753 0.766 -23.249) 25.627 18.010 ( -4.704 -1.167 26.566) 27.004 18.545 ( -3.470 0.453 -25.981) 26.216 23.537 ( 6.355 4.699 19.148) 20.715 23.609 ( 13.224 -5.610 12.049) 18.749 24.261 ( 9.212 1.362 -0.128) 9.313 24.487 ( -0.359 -1.083 -20.103) 20.135 24.943 ( -1.387 -0.024 12.638) 12.714 25.255 ( -0.242 0.497 -16.769) 16.778 26.918 ( 4.195 2.053 4.885) 6.758 27.019 ( 6.115 2.557 -5.133) 8.384 28.237 ( -5.643 -1.579 11.160) 12.605 28.421 ( -9.584 -1.020 -6.775) 11.781 32.337 ( -3.838 0.246 7.472) 8.404 32.447 ( -6.073 -0.194 -3.551) 7.037 34.560 ( -14.261 -0.210 -1.528) 14.344 34.601 ( -12.847 -0.524 -5.364) 13.931 37.333 ( -1.904 0.272 21.268) 21.354 37.788 ( -0.410 0.224 -23.794) 23.799 41.879 ( 2.199 0.055 12.609) 12.799 42.106 ( 2.911 -0.029 -10.173) 10.582 ======================= Grid point 730 (218/245) ======================= q-point: ( 0.31 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -7.188 0.815 -4.399) 8.466 1.132 ( -4.779 -1.129 -19.649) 20.254 3.175 ( 4.550 -0.380 2.306) 5.115 3.242 ( 1.808 -0.566 -4.277) 4.678 4.226 ( 2.694 0.424 -1.988) 3.375 4.234 ( 2.861 -0.219 -2.522) 3.820 6.517 ( 8.587 0.162 4.385) 9.643 6.605 ( 10.467 -0.811 -4.007) 11.237 7.944 ( 9.817 -0.313 9.342) 13.555 8.063 ( 5.346 0.696 -1.707) 5.655 8.126 ( 6.410 -0.806 2.534) 6.940 8.178 ( 8.299 -0.524 -3.292) 8.944 11.369 ( -22.279 1.118 23.555) 32.441 11.885 ( -18.107 0.448 -27.536) 32.960 16.373 ( 0.753 -2.978 13.397) 13.745 16.703 ( -3.831 2.346 -19.261) 19.778 17.989 ( 1.025 -1.775 25.655) 25.737 18.512 ( 0.086 1.536 -25.256) 25.303 23.528 ( -1.843 1.394 27.993) 28.088 23.851 ( 6.981 -3.490 1.568) 7.960 24.367 ( 2.414 3.889 5.618) 7.247 24.526 ( 2.673 -2.983 -13.342) 13.930 24.942 ( 1.643 -0.978 3.014) 3.569 25.198 ( -5.233 0.422 -17.927) 18.679 26.919 ( -1.855 2.646 5.348) 6.248 27.032 ( -1.972 4.831 -5.648) 7.689 28.216 ( 1.064 -3.348 7.654) 8.421 28.319 ( -2.148 -1.924 -2.537) 3.841 32.279 ( -1.365 0.996 5.291) 5.554 32.352 ( -3.127 -0.065 -2.206) 3.828 34.380 ( -4.106 -0.237 -0.859) 4.201 34.444 ( -3.409 -0.502 -6.867) 7.683 37.300 ( -1.323 0.135 22.504) 22.543 37.776 ( -0.672 0.121 -24.671) 24.681 41.905 ( 0.570 0.033 13.199) 13.211 42.143 ( 0.916 -0.015 -10.636) 10.675 ======================= Grid point 731 (219/245) ======================= q-point: (-0.62 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 9.285 1.453 -3.654) 10.083 1.153 ( 6.351 -0.805 -20.058) 21.055 3.225 ( 0.391 1.486 0.362) 1.579 3.264 ( 0.640 -0.392 -3.306) 3.390 4.208 ( -4.277 -0.199 -1.154) 4.435 4.233 ( -3.376 -0.162 -2.881) 4.441 6.527 ( -7.379 0.448 5.935) 9.480 6.644 ( -6.698 0.295 -5.241) 8.510 7.983 ( -7.055 0.851 6.858) 9.876 8.061 ( -5.089 0.814 -0.716) 5.203 8.143 ( -4.821 -0.514 3.232) 5.826 8.209 ( -5.105 0.389 -3.137) 6.005 11.276 ( 13.924 -1.574 24.723) 28.418 11.814 ( 11.339 -1.776 -28.530) 30.752 16.470 ( 6.293 -2.927 6.803) 9.718 16.663 ( 1.794 3.980 -11.867) 12.644 18.053 ( 4.595 -0.629 22.185) 22.665 18.515 ( 1.478 2.554 -22.378) 22.572 23.487 ( -2.109 0.197 29.345) 29.422 23.927 ( -0.833 -2.615 -10.042) 10.410 24.307 ( -6.126 2.779 19.322) 20.460 24.607 ( 4.102 -0.127 -10.674) 11.436 24.981 ( -1.731 -0.011 -7.341) 7.542 25.080 ( -4.259 -3.588 -14.347) 15.390 26.849 ( -3.624 0.913 3.372) 5.033 26.921 ( -6.174 3.046 -3.468) 7.709 28.278 ( 2.745 -2.468 5.868) 6.932 28.340 ( 2.961 -1.617 -0.280) 3.385 32.285 ( 2.913 1.680 4.496) 5.615 32.347 ( 2.723 -0.385 -1.879) 3.330 34.401 ( 6.062 0.356 -0.432) 6.087 34.472 ( 5.930 0.224 -7.108) 9.259 37.282 ( -0.478 -0.388 22.731) 22.739 37.763 ( -0.693 -0.269 -24.861) 24.872 41.902 ( -0.831 -0.037 13.389) 13.415 42.144 ( -0.797 0.016 -10.801) 10.830 ======================= Grid point 732 (220/245) ======================= q-point: (-0.54 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 18.113 2.158 -2.599) 18.425 1.364 ( 14.100 0.544 -13.973) 19.858 3.178 ( -3.541 2.908 2.843) 5.393 3.264 ( -0.780 1.416 -5.373) 5.611 4.069 ( -9.905 -0.916 -0.080) 9.947 4.113 ( -8.556 -0.636 -3.648) 9.323 6.255 ( -18.501 1.202 5.013) 19.206 6.370 ( -19.140 1.736 -5.997) 20.133 7.740 ( -15.006 1.200 8.603) 17.339 7.845 ( -16.642 0.068 -1.455) 16.705 7.933 ( -16.284 1.082 3.398) 16.670 8.011 ( -13.078 1.781 -4.419) 13.919 11.864 ( 41.306 -3.738 20.244) 46.152 12.300 ( 34.196 -3.470 -22.894) 41.299 16.613 ( 7.426 0.817 3.899) 8.427 16.750 ( 8.650 -0.040 -9.182) 12.615 18.180 ( 9.627 3.124 17.978) 20.631 18.560 ( 5.488 2.640 -18.510) 19.486 23.395 ( -9.586 -1.212 26.388) 28.102 23.818 ( -12.506 -0.089 -12.748) 17.858 24.151 ( -7.523 0.484 20.793) 22.117 24.603 ( -5.832 1.776 -21.546) 22.392 24.916 ( 0.645 -0.850 4.252) 4.384 25.102 ( 0.523 -5.493 -11.616) 12.860 26.757 ( -7.043 -0.208 2.053) 7.339 26.800 ( -4.337 -1.823 -2.312) 5.242 28.348 ( 4.356 0.231 7.745) 8.889 28.445 ( 6.523 -2.089 -1.740) 7.066 32.375 ( 7.337 2.582 5.763) 9.681 32.461 ( 8.404 -0.196 -2.875) 8.885 34.601 ( 14.443 1.003 -0.280) 14.481 34.664 ( 13.865 1.110 -6.345) 15.288 37.286 ( 0.290 -1.196 21.844) 21.879 37.751 ( -0.919 -0.893 -24.274) 24.308 41.871 ( -2.511 -0.158 13.227) 13.464 42.110 ( -2.710 0.079 -10.716) 11.054 ======================= Grid point 733 (221/245) ======================= q-point: (-0.46 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( 16.734 3.395 -0.327) 17.078 1.653 ( 15.333 2.523 -7.547) 17.275 3.063 ( -5.706 4.667 6.529) 9.847 3.213 ( -2.750 3.758 -7.391) 8.736 3.855 ( -12.230 -1.869 1.361) 12.446 3.929 ( -10.378 -1.424 -4.828) 11.534 5.852 ( -20.327 2.069 3.135) 20.671 5.947 ( -21.192 2.968 -5.802) 22.171 7.390 ( -23.053 0.553 4.667) 23.527 7.420 ( -26.026 0.217 0.685) 26.036 7.552 ( -18.105 2.591 8.038) 19.978 7.730 ( -13.674 2.237 -8.246) 16.124 12.802 ( 50.052 -2.598 13.164) 51.819 13.079 ( 41.392 -1.902 -14.166) 43.791 16.795 ( 12.569 0.263 5.596) 13.761 16.979 ( 12.921 -5.076 -12.458) 18.653 18.423 ( 19.388 7.397 15.403) 25.843 18.736 ( 14.873 2.540 -15.102) 21.348 23.073 ( -24.210 -2.313 19.607) 31.239 23.423 ( -27.578 -0.273 -13.699) 30.794 24.009 ( -8.058 -1.421 20.216) 21.809 24.429 ( -10.747 -1.348 -19.773) 22.545 24.994 ( 5.057 -0.310 6.266) 8.058 25.144 ( 1.351 -4.305 -7.836) 9.042 26.593 ( -10.300 -2.071 6.338) 12.270 26.729 ( -5.116 -1.007 -7.038) 8.759 28.470 ( 8.734 0.364 10.705) 13.821 28.623 ( 10.269 -3.557 -4.202) 11.652 32.526 ( 9.866 4.644 8.180) 13.632 32.657 ( 11.518 1.640 -4.715) 12.554 34.936 ( 19.994 0.917 -0.127) 20.015 34.987 ( 19.490 1.269 -5.073) 20.179 37.305 ( 0.597 -2.073 19.728) 19.846 37.733 ( -1.825 -1.661 -22.690) 22.824 41.803 ( -4.666 -0.336 12.732) 13.564 42.035 ( -5.013 0.215 -10.460) 11.601 ======================= Grid point 734 (222/245) ======================= q-point: (-0.38 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 10.718 4.208 3.467) 12.025 1.900 ( 11.544 4.466 -3.420) 12.841 2.920 ( -5.023 6.454 10.010) 12.926 3.132 ( -1.853 5.811 -8.679) 10.608 3.631 ( -11.714 -2.549 3.201) 12.409 3.738 ( -10.038 -1.607 -5.586) 11.600 5.478 ( -15.969 2.435 1.729) 16.245 5.554 ( -16.446 3.532 -5.191) 17.604 6.814 ( -32.480 1.126 3.229) 32.660 6.850 ( -31.818 0.483 -0.517) 31.826 7.262 ( -11.240 2.279 9.774) 15.069 7.466 ( -11.647 2.448 -9.694) 15.350 13.758 ( 44.948 0.149 5.046) 45.230 13.867 ( 38.427 1.148 -5.736) 38.870 17.106 ( 17.742 -3.413 6.972) 19.366 17.318 ( 17.738 -8.226 -14.114) 24.115 18.893 ( 34.165 8.121 12.201) 37.176 19.127 ( 27.219 3.739 -10.902) 29.559 22.525 ( -32.227 -3.803 12.782) 34.877 22.790 ( -36.803 -3.301 -13.067) 39.193 23.812 ( -15.007 -4.797 18.419) 24.238 24.173 ( -18.671 -5.952 -17.102) 26.010 25.081 ( 4.309 1.699 8.609) 9.776 25.225 ( 5.289 -0.841 -5.711) 7.830 26.369 ( -13.650 -0.868 10.208) 17.067 26.583 ( -9.364 3.629 -10.615) 14.613 28.690 ( 12.869 -2.389 12.963) 18.421 28.890 ( 13.691 -6.920 -6.346) 16.602 32.688 ( 9.930 7.850 10.906) 16.708 32.870 ( 11.962 5.441 -7.140) 14.956 35.349 ( 21.989 -0.085 0.460) 21.994 35.395 ( 22.415 0.018 -4.076) 22.782 37.325 ( -0.153 -2.646 16.374) 16.587 37.690 ( -4.001 -2.366 -19.798) 20.336 41.693 ( -6.707 -0.553 11.898) 13.669 41.913 ( -7.118 0.471 -10.106) 12.370 ======================= Grid point 735 (223/245) ======================= q-point: (-0.31 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.941 ( 3.553 4.043 7.907) 9.565 2.057 ( 7.784 5.093 -2.584) 9.655 2.813 ( -1.312 7.589 13.985) 15.966 3.099 ( 1.935 5.923 -10.652) 12.341 3.437 ( -9.150 -2.104 5.971) 11.127 3.556 ( -8.986 0.114 -4.025) 9.847 5.213 ( -9.799 2.285 1.067) 10.118 5.278 ( -9.722 3.205 -4.730) 11.277 6.170 ( -31.435 0.935 2.764) 31.570 6.217 ( -31.386 0.513 -1.807) 31.442 7.072 ( -7.037 1.894 7.804) 10.677 7.256 ( -8.166 2.567 -9.799) 13.011 14.468 ( 28.704 0.991 4.855) 29.128 14.596 ( 35.254 -0.092 -7.451) 36.033 17.486 ( 18.221 -2.249 9.257) 20.561 17.729 ( 18.427 -6.597 -14.675) 24.463 19.660 ( 46.367 4.372 5.994) 46.957 19.760 ( 40.324 4.745 -3.939) 40.792 21.921 ( -30.697 -6.076 6.848) 32.033 22.086 ( -36.439 -6.473 -9.346) 38.172 23.453 ( -26.199 -9.357 14.278) 31.270 23.739 ( -30.623 -9.353 -14.008) 34.950 25.160 ( 5.932 4.528 12.885) 14.890 25.344 ( 7.244 3.072 -6.108) 9.961 26.077 ( -15.568 1.509 11.811) 19.600 26.325 ( -12.744 9.095 -12.036) 19.748 28.974 ( 12.934 -6.046 14.886) 20.626 29.217 ( 13.816 -10.873 -8.533) 19.543 32.809 ( 7.841 10.958 13.360) 18.975 33.043 ( 10.018 10.335 -9.862) 17.448 35.775 ( 20.560 -2.004 2.301) 20.785 35.848 ( 22.812 -2.317 -4.674) 23.401 37.318 ( -2.452 -2.446 11.982) 12.472 37.592 ( -7.781 -2.569 -15.289) 17.346 41.557 ( -7.206 -0.737 10.744) 12.958 41.761 ( -7.619 0.854 -9.691) 12.357 ======================= Grid point 736 (224/245) ======================= q-point: (-0.23 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( 0.132 4.341 12.095) 12.851 2.150 ( 4.290 3.686 -7.261) 9.204 2.791 ( 3.013 6.049 18.176) 19.392 3.103 ( -0.148 2.050 -10.872) 11.065 3.312 ( -4.893 1.392 9.388) 10.678 3.408 ( -3.163 4.179 0.231) 5.246 5.065 ( -4.231 2.096 0.762) 4.783 5.133 ( -3.612 2.639 -5.226) 6.879 5.638 ( -20.869 0.199 0.908) 20.890 5.679 ( -21.717 0.010 -2.919) 21.912 6.964 ( -3.130 1.480 5.806) 6.760 7.123 ( -4.003 2.449 -9.390) 10.497 14.910 ( 16.174 -1.745 10.672) 19.456 15.179 ( 21.899 -4.571 -15.455) 27.191 17.790 ( 11.876 3.000 10.471) 16.115 18.058 ( 11.772 -1.145 -15.872) 19.795 20.480 ( 36.002 2.210 9.113) 37.203 20.634 ( 43.663 1.679 -5.998) 44.105 21.501 ( -11.776 -6.095 1.242) 13.318 21.543 ( -18.102 -7.050 -3.052) 19.664 22.908 ( -34.943 -13.765 9.406) 38.716 23.097 ( -39.732 -11.469 -9.156) 42.356 25.264 ( 7.978 7.320 17.425) 20.515 25.467 ( 7.679 5.196 -4.051) 10.118 25.773 ( -13.443 1.819 8.069) 15.784 26.005 ( -12.622 13.350 -12.721) 22.346 29.231 ( 8.222 -8.507 16.851) 20.589 29.520 ( 8.995 -13.604 -11.061) 19.706 32.860 ( 4.158 12.301 14.793) 19.684 33.127 ( 5.624 14.379 -11.920) 19.506 36.152 ( 15.041 -4.514 5.472) 16.630 36.289 ( 19.124 -4.799 -7.685) 21.161 37.255 ( -4.631 -1.223 7.037) 8.512 37.417 ( -10.834 -1.601 -9.049) 14.207 41.439 ( -4.827 -0.839 9.432) 10.629 41.625 ( -5.147 1.242 -9.174) 10.592 ======================= Grid point 737 (225/245) ======================= q-point: (-0.15 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.919 ( 0.000 4.147 14.195) 14.788 2.175 ( 0.000 2.815 -11.030) 11.383 2.817 ( 0.000 2.737 18.372) 18.574 3.089 ( -0.000 -0.286 -8.766) 8.770 3.216 ( 0.000 5.334 14.839) 15.769 3.375 ( 0.000 5.289 0.318) 5.299 5.014 ( 0.000 1.812 0.198) 1.823 5.089 ( 0.000 2.509 -6.347) 6.825 5.422 ( -0.000 -0.324 -0.198) 0.380 5.452 ( -0.000 -0.576 -3.196) 3.247 6.927 ( 0.000 1.250 4.848) 5.007 7.070 ( 0.000 2.276 -8.934) 9.220 15.091 ( -0.000 -3.124 14.161) 14.502 15.441 ( -0.000 -6.266 -20.094) 21.048 17.884 ( 0.000 4.942 11.330) 12.361 18.172 ( 0.000 1.595 -17.020) 17.095 20.831 ( -0.000 -3.347 11.719) 12.188 21.022 ( -0.000 -5.242 -7.350) 9.028 21.483 ( 0.000 2.493 6.294) 6.770 21.667 ( 0.000 4.922 -11.287) 12.313 22.485 ( -0.000 -18.467 9.131) 20.601 22.626 ( -0.000 -16.336 -4.745) 17.011 25.326 ( 0.000 10.724 24.574) 26.812 25.533 ( -0.000 -0.062 5.459) 5.459 25.639 ( -0.000 -0.434 -4.992) 5.010 25.734 ( 0.000 18.506 -15.982) 24.452 29.366 ( -0.000 -8.527 18.292) 20.182 29.694 ( -0.000 -13.575 -13.477) 19.129 32.831 ( 0.000 10.922 14.576) 18.214 33.094 ( 0.000 15.229 -11.750) 19.235 36.349 ( -0.000 -5.503 7.996) 9.707 36.550 ( -0.000 -6.196 -11.689) 13.230 37.197 ( -0.000 -0.078 3.921) 3.922 37.275 ( 0.000 0.028 -3.746) 3.746 41.395 ( -0.000 -0.874 8.396) 8.441 41.564 ( 0.000 1.364 -8.548) 8.656 ======================= Grid point 742 (226/245) ======================= q-point: ( 0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -6.982 -0.000 -5.109) 8.652 1.125 ( -4.727 -0.000 -19.180) 19.754 3.172 ( 4.957 0.000 2.309) 5.468 3.239 ( 1.942 0.000 -4.175) 4.605 4.230 ( 2.087 0.000 -2.386) 3.170 4.232 ( 3.328 0.000 -2.166) 3.971 6.518 ( 8.582 0.000 4.037) 9.484 6.600 ( 10.819 0.000 -3.738) 11.446 7.942 ( 9.971 0.000 9.605) 13.845 8.068 ( 5.516 0.000 -2.095) 5.901 8.121 ( 6.358 0.000 2.807) 6.950 8.175 ( 8.542 0.000 -3.384) 9.188 11.376 ( -22.851 -0.000 23.345) 32.668 11.888 ( -18.574 -0.000 -27.335) 33.048 16.356 ( 0.878 0.000 14.579) 14.605 16.717 ( -3.499 -0.000 -21.550) 21.833 17.978 ( 1.235 0.000 27.429) 27.457 18.522 ( 0.284 0.000 -25.887) 25.889 23.537 ( -2.436 -0.000 27.383) 27.491 23.830 ( 7.573 0.000 3.276) 8.252 24.394 ( 2.064 0.000 5.230) 5.622 24.505 ( 3.439 0.000 -14.492) 14.894 24.936 ( 1.217 0.000 3.714) 3.908 25.201 ( -5.598 -0.000 -18.166) 19.009 26.936 ( -2.339 -0.000 5.880) 6.328 27.063 ( -2.354 -0.000 -6.486) 6.900 28.194 ( 1.142 0.000 8.226) 8.305 28.307 ( -1.937 -0.000 -2.834) 3.433 32.286 ( -1.206 -0.000 4.924) 5.070 32.352 ( -3.187 -0.000 -1.858) 3.689 34.378 ( -3.980 -0.000 -0.941) 4.090 34.441 ( -3.224 -0.000 -6.776) 7.504 37.300 ( -1.448 -0.000 22.496) 22.542 37.776 ( -0.767 -0.000 -24.671) 24.683 41.905 ( 0.551 0.000 13.183) 13.195 42.143 ( 0.925 0.000 -10.623) 10.663 ======================= Grid point 743 (227/245) ======================= q-point: (-0.69 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 9.442 0.713 -4.797) 10.615 1.145 ( 6.690 -0.470 -19.306) 20.437 3.242 ( 1.440 1.268 -0.810) 2.083 3.256 ( 0.552 -0.885 -2.186) 2.422 4.207 ( -4.502 -0.066 -1.129) 4.642 4.231 ( -3.453 -0.067 -2.859) 4.484 6.531 ( -7.194 0.186 5.793) 9.238 6.646 ( -6.196 0.074 -5.179) 8.076 7.990 ( -6.519 0.318 6.736) 9.379 8.070 ( -5.638 0.459 -1.144) 5.771 8.137 ( -4.184 -0.343 3.924) 5.747 8.212 ( -4.586 0.133 -3.339) 5.674 11.263 ( 12.747 -0.568 24.626) 27.735 11.799 ( 10.404 -0.697 -28.403) 30.256 16.446 ( 6.998 -1.140 8.957) 11.424 16.696 ( 1.559 1.526 -16.049) 16.197 18.046 ( 5.586 -0.346 25.045) 25.662 18.538 ( 1.660 1.121 -23.073) 23.160 23.489 ( -2.594 0.177 28.650) 28.768 23.903 ( -0.205 -1.256 -7.745) 7.849 24.333 ( -6.851 1.338 18.402) 19.681 24.604 ( 5.221 -0.252 -10.757) 11.960 24.981 ( 1.759 0.063 -7.625) 7.825 25.048 ( -8.751 -1.559 -14.818) 17.279 26.859 ( -4.480 0.609 4.139) 6.129 26.950 ( -7.794 1.530 -4.629) 9.193 28.254 ( 3.900 -1.293 6.556) 7.737 28.325 ( 2.979 -0.754 -0.443) 3.104 32.302 ( 3.325 0.996 3.300) 4.790 32.342 ( 2.399 -0.405 -0.845) 2.575 34.403 ( 6.340 0.129 -0.463) 6.358 34.473 ( 6.280 0.058 -7.004) 9.408 37.279 ( -0.727 -0.150 22.779) 22.791 37.760 ( -0.880 -0.102 -24.914) 24.929 41.902 ( -0.864 -0.013 13.411) 13.438 42.144 ( -0.782 0.005 -10.820) 10.848 ======================= Grid point 744 (228/245) ======================= q-point: (-0.62 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 18.517 1.552 -3.471) 18.903 1.367 ( 14.801 -0.007 -13.179) 19.818 3.206 ( -3.056 1.811 1.770) 3.969 3.275 ( 0.121 0.560 -4.813) 4.847 4.061 ( -10.256 -0.526 0.133) 10.270 4.107 ( -8.861 -0.382 -3.568) 9.560 6.267 ( -18.127 0.742 5.188) 18.869 6.386 ( -18.629 0.912 -6.158) 19.642 7.751 ( -15.352 0.712 7.714) 17.195 7.846 ( -16.742 0.091 -1.561) 16.815 7.943 ( -15.593 0.563 4.073) 16.125 8.027 ( -12.724 1.026 -4.240) 13.451 11.830 ( 41.310 -2.134 20.330) 46.091 12.267 ( 34.285 -2.119 -22.940) 41.306 16.610 ( 8.688 -0.736 3.864) 9.537 16.759 ( 5.903 1.024 -10.791) 12.343 18.207 ( 11.637 1.577 19.254) 22.553 18.589 ( 5.327 2.068 -17.920) 18.809 23.385 ( -10.096 -0.488 25.959) 27.858 23.808 ( -11.835 -1.132 -13.818) 18.229 24.163 ( -8.389 1.215 22.601) 24.138 24.616 ( -6.386 0.626 -20.083) 21.083 24.912 ( 0.243 0.182 0.038) 0.306 25.044 ( 0.856 -4.133 -9.663) 10.545 26.763 ( -7.647 1.045 0.995) 7.782 26.786 ( -5.225 -0.839 -1.352) 5.462 28.347 ( 5.234 -0.238 6.899) 8.663 28.421 ( 5.981 -1.805 -0.319) 6.255 32.405 ( 8.172 2.505 3.750) 9.333 32.455 ( 8.545 -0.887 -1.213) 8.677 34.610 ( 14.558 0.579 -0.195) 14.571 34.674 ( 14.069 0.575 -6.299) 15.426 37.274 ( -0.056 -0.707 21.992) 22.004 37.742 ( -1.196 -0.519 -24.418) 24.453 41.869 ( -2.566 -0.086 13.339) 13.583 42.111 ( -2.675 0.042 -10.816) 11.142 ======================= Grid point 745 (229/245) ======================= q-point: (-0.54 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 17.269 2.700 -0.818) 17.498 1.677 ( 16.214 1.467 -6.976) 17.712 3.110 ( -4.990 3.354 5.458) 8.120 3.249 ( -1.721 2.469 -7.385) 7.975 3.836 ( -12.671 -1.386 1.775) 12.870 3.914 ( -10.753 -1.111 -4.618) 11.755 5.874 ( -20.003 1.597 3.554) 20.379 5.976 ( -20.864 2.014 -6.067) 21.821 7.395 ( -22.857 0.330 3.861) 23.184 7.423 ( -26.089 0.281 0.515) 26.096 7.578 ( -17.904 1.807 8.538) 19.918 7.752 ( -13.736 1.561 -7.815) 15.880 12.775 ( 51.454 -1.928 13.566) 53.247 13.057 ( 42.962 -1.612 -14.302) 45.308 16.797 ( 11.169 0.192 2.397) 11.425 16.926 ( 10.465 -3.856 -10.193) 15.110 18.500 ( 21.071 5.694 13.459) 25.643 18.764 ( 14.853 2.100 -12.276) 19.383 23.050 ( -24.695 -1.573 19.543) 31.532 23.413 ( -28.860 -1.195 -15.590) 32.824 24.001 ( -8.912 -0.084 21.266) 23.058 24.415 ( -12.841 -1.041 -18.500) 22.543 24.992 ( 5.714 0.134 3.165) 6.533 25.092 ( 2.187 -4.496 -5.797) 7.655 26.579 ( -10.024 -0.448 6.789) 12.115 26.723 ( -3.237 -0.008 -7.319) 8.003 28.473 ( 8.124 0.397 8.773) 11.963 28.580 ( 8.809 -3.645 -1.586) 9.665 32.581 ( 11.486 4.570 5.821) 13.664 32.668 ( 12.571 0.191 -2.762) 12.872 34.946 ( 19.691 0.711 0.024) 19.704 34.999 ( 19.149 0.818 -5.158) 19.849 37.283 ( 0.252 -1.535 19.949) 20.009 37.716 ( -2.165 -1.206 -22.908) 23.041 41.799 ( -4.745 -0.223 13.012) 13.852 42.037 ( -4.934 0.141 -10.710) 11.793 ======================= Grid point 746 (230/245) ======================= q-point: (-0.46 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 10.745 3.617 3.123) 11.760 1.946 ( 12.297 3.438 -3.727) 13.302 2.989 ( -4.246 5.316 9.209) 11.450 3.194 ( -1.183 4.706 -8.691) 9.954 3.603 ( -11.807 -2.174 3.774) 12.584 3.718 ( -9.930 -1.724 -5.567) 11.514 5.506 ( -15.921 2.218 2.356) 16.246 5.591 ( -16.478 2.820 -5.484) 17.594 6.828 ( -32.319 1.165 2.627) 32.447 6.854 ( -31.732 0.204 -0.137) 31.733 7.287 ( -11.563 1.839 10.034) 15.420 7.492 ( -11.669 1.857 -9.622) 15.238 13.759 ( 46.247 0.083 5.851) 46.616 13.876 ( 39.121 0.440 -5.662) 39.531 17.074 ( 17.008 -1.833 3.159) 17.396 17.225 ( 16.972 -7.672 -11.712) 22.002 18.987 ( 33.442 7.924 9.616) 35.688 19.165 ( 27.693 2.616 -7.849) 28.903 22.482 ( -33.408 -3.316 12.352) 35.772 22.749 ( -38.781 -3.461 -13.817) 41.314 23.767 ( -16.853 -2.876 17.892) 24.747 24.112 ( -20.638 -4.466 -16.003) 26.495 25.093 ( 5.066 0.503 7.228) 8.841 25.205 ( 7.041 -2.220 -4.342) 8.565 26.368 ( -11.901 0.559 12.444) 17.228 26.626 ( -6.223 3.651 -12.538) 14.466 28.666 ( 11.121 -1.492 10.657) 15.475 28.809 ( 11.433 -6.768 -3.110) 13.645 32.781 ( 12.171 7.937 8.722) 16.947 32.922 ( 13.941 3.271 -5.211) 15.238 35.349 ( 21.290 0.077 0.341) 21.292 35.394 ( 21.182 -0.180 -4.108) 21.578 37.296 ( -0.273 -2.274 16.530) 16.688 37.665 ( -4.268 -1.989 -19.968) 20.516 41.687 ( -6.783 -0.405 12.448) 14.181 41.918 ( -6.971 0.352 -10.593) 12.685 ======================= Grid point 747 (231/245) ======================= q-point: (-0.38 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 3.775 4.119 7.432) 9.298 2.113 ( 7.359 4.429 -3.922) 9.442 2.899 ( -1.083 7.088 13.103) 14.937 3.164 ( 0.543 4.963 -9.667) 10.880 3.415 ( -7.759 -1.409 6.814) 10.422 3.552 ( -7.494 -0.689 -5.015) 9.043 5.240 ( -9.817 2.393 1.809) 10.265 5.314 ( -10.050 2.931 -4.843) 11.534 6.183 ( -31.638 1.174 2.480) 31.757 6.222 ( -31.515 0.327 -1.374) 31.547 7.092 ( -7.355 1.571 8.199) 11.126 7.284 ( -8.285 2.063 -10.071) 13.203 14.479 ( 27.734 1.039 4.424) 28.104 14.588 ( 32.731 -1.292 -5.955) 33.293 17.467 ( 21.081 -1.026 5.454) 21.799 17.652 ( 21.035 -6.464 -12.743) 25.429 19.717 ( 43.872 5.237 5.867) 44.571 19.813 ( 40.793 4.222 -3.670) 41.175 21.848 ( -32.443 -6.272 6.160) 33.613 22.007 ( -38.363 -6.813 -9.516) 40.108 23.358 ( -28.093 -6.931 14.029) 32.156 23.639 ( -31.709 -7.717 -13.692) 35.391 25.200 ( 6.926 2.416 12.333) 14.350 25.365 ( 8.351 0.714 -5.252) 9.891 26.104 ( -13.840 3.046 15.850) 21.261 26.432 ( -9.652 8.918 -15.409) 20.252 28.908 ( 11.020 -5.137 12.542) 17.468 29.091 ( 11.618 -10.680 -4.999) 16.554 32.944 ( 10.027 11.947 12.009) 19.685 33.152 ( 12.402 8.060 -8.583) 17.101 35.754 ( 19.150 -1.635 1.689) 19.294 35.818 ( 21.064 -2.740 -4.505) 21.714 37.289 ( -2.048 -2.325 11.929) 12.325 37.563 ( -7.629 -2.387 -15.222) 17.193 41.549 ( -7.237 -0.567 11.638) 13.717 41.770 ( -7.414 0.702 -10.473) 12.851 ======================= Grid point 748 (232/245) ======================= q-point: (-0.31 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( 0.600 4.900 11.086) 12.136 2.195 ( 3.663 3.794 -7.456) 9.132 2.863 ( 1.158 6.257 15.848) 17.078 3.120 ( -3.113 0.690 -7.869) 8.490 3.336 ( -1.612 2.728 9.315) 9.840 3.456 ( -0.625 3.755 -2.030) 4.314 5.092 ( -4.077 2.576 1.679) 5.106 5.165 ( -3.643 2.747 -4.834) 6.647 5.642 ( -21.389 0.387 0.839) 21.409 5.679 ( -22.185 0.003 -2.645) 22.342 6.980 ( -3.381 1.246 6.282) 7.242 7.150 ( -4.143 2.101 -9.931) 10.963 14.888 ( 14.195 -2.010 9.022) 16.939 15.115 ( 18.538 -6.293 -12.959) 23.477 17.835 ( 15.550 4.610 6.733) 17.561 18.046 ( 15.192 -0.884 -13.900) 20.610 20.511 ( 34.607 3.129 8.783) 35.841 20.661 ( 40.612 2.916 -5.951) 41.149 21.417 ( -9.702 -8.196 0.467) 12.709 21.447 ( -17.172 -9.387 -2.589) 19.741 22.761 ( -37.368 -11.380 10.097) 40.346 22.967 ( -41.528 -10.412 -10.246) 44.022 25.337 ( 9.238 4.967 16.114) 19.227 25.511 ( 7.238 2.606 -3.701) 8.537 25.808 ( -13.611 4.305 14.891) 20.629 26.169 ( -9.579 14.155 -17.385) 24.380 29.130 ( 7.016 -8.536 14.592) 18.304 29.357 ( 7.598 -14.010 -7.232) 17.502 33.020 ( 5.452 14.868 14.758) 21.647 33.290 ( 7.354 13.017 -12.083) 19.223 36.097 ( 13.312 -4.739 4.788) 14.919 36.226 ( 17.140 -5.816 -7.608) 19.634 37.241 ( -3.672 -1.232 6.895) 7.909 37.398 ( -9.784 -1.557 -8.758) 13.223 41.430 ( -4.821 -0.664 10.654) 11.713 41.639 ( -4.977 1.114 -10.240) 11.440 ======================= Grid point 749 (233/245) ======================= q-point: (-0.23 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.000 5.206 13.020) 14.022 2.211 ( 0.000 3.356 -10.315) 10.847 2.854 ( 0.000 3.619 16.112) 16.514 3.084 ( -0.000 -0.659 -6.755) 6.787 3.282 ( 0.000 5.794 13.614) 14.795 3.442 ( 0.000 6.079 -0.777) 6.128 5.040 ( 0.000 2.604 1.432) 2.972 5.122 ( 0.000 3.069 -5.796) 6.558 5.418 ( -0.000 -0.380 -0.442) 0.583 5.444 ( -0.000 -0.718 -3.076) 3.159 6.941 ( 0.000 1.177 5.349) 5.477 7.097 ( 0.000 2.212 -9.600) 9.852 15.049 ( -0.000 -3.932 12.158) 12.778 15.352 ( -0.000 -8.878 -17.275) 19.423 17.957 ( 0.000 7.525 7.828) 10.859 18.196 ( 0.000 2.394 -15.419) 15.604 20.791 ( -0.000 -3.362 9.733) 10.297 20.956 ( -0.000 -5.854 -6.917) 9.062 21.517 ( 0.000 3.154 8.233) 8.816 21.723 ( 0.000 4.638 -11.476) 12.378 22.262 ( -0.000 -19.314 9.162) 21.377 22.415 ( -0.000 -19.256 -5.980) 20.163 25.465 ( 0.000 12.639 29.336) 31.943 25.533 ( -0.000 -0.042 5.113) 5.113 25.633 ( -0.000 -0.549 -4.850) 4.881 25.953 ( 0.000 18.655 -19.322) 26.858 29.257 ( -0.000 -9.889 16.169) 18.954 29.523 ( -0.000 -15.369 -9.382) 18.006 32.984 ( 0.000 15.064 15.730) 21.780 33.277 ( 0.000 15.688 -13.554) 20.732 36.276 ( -0.000 -6.683 7.331) 9.920 36.468 ( -0.000 -7.878 -11.248) 13.733 37.196 ( -0.000 -0.093 3.983) 3.984 37.275 ( 0.000 0.033 -3.820) 3.820 41.385 ( -0.000 -0.754 9.794) 9.823 41.581 ( 0.000 1.361 -9.773) 9.867 ======================= Grid point 756 (234/245) ======================= q-point: (-0.69 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 18.645 0.000 -3.924) 19.053 1.366 ( 15.068 0.000 -12.775) 19.754 3.217 ( -2.962 -0.000 1.282) 3.228 3.278 ( 0.520 0.000 -4.509) 4.539 4.057 ( -10.388 -0.000 0.211) 10.390 4.105 ( -8.973 -0.000 -3.535) 9.644 6.271 ( -17.990 -0.000 5.221) 18.733 6.391 ( -18.439 -0.000 -6.195) 19.452 7.755 ( -15.494 -0.000 7.378) 17.161 7.847 ( -16.786 -0.000 -1.612) 16.863 7.946 ( -15.316 -0.000 4.359) 15.924 8.033 ( -12.600 -0.000 -4.190) 13.279 11.817 ( 41.307 0.000 20.333) 46.040 12.254 ( 34.318 0.000 -22.931) 41.274 16.605 ( 9.118 0.000 4.204) 10.040 16.766 ( 4.911 0.000 -11.860) 12.836 18.216 ( 12.424 0.000 19.963) 23.514 18.602 ( 5.238 0.000 -17.801) 18.556 23.383 ( -10.304 -0.000 25.688) 27.678 23.800 ( -11.558 -0.000 -13.564) 17.820 24.172 ( -8.729 -0.000 22.713) 24.333 24.620 ( -6.550 -0.000 -19.232) 20.317 24.915 ( -0.035 -0.000 -2.282) 2.282 25.018 ( 1.108 0.000 -8.489) 8.561 26.774 ( -9.974 -0.000 0.037) 9.974 26.778 ( -3.546 -0.000 -0.431) 3.572 28.345 ( 5.768 0.000 6.541) 8.721 28.409 ( 5.674 0.000 0.260) 5.680 32.425 ( 8.781 0.000 2.213) 9.055 32.445 ( 8.269 0.000 0.188) 8.271 34.613 ( 14.603 0.000 -0.174) 14.604 34.677 ( 14.145 0.000 -6.266) 15.471 37.270 ( -0.182 -0.000 22.048) 22.049 37.739 ( -1.297 -0.000 -24.474) 24.508 41.869 ( -2.585 -0.000 13.378) 13.625 42.111 ( -2.663 -0.000 -10.850) 11.172 ======================= Grid point 758 (235/245) ======================= q-point: (-0.62 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 17.485 1.090 -1.315) 17.568 1.687 ( 16.769 0.409 -6.439) 17.968 3.137 ( -4.613 1.233 4.732) 6.723 3.269 ( -1.091 0.843 -7.335) 7.463 3.824 ( -12.936 -0.515 2.032) 13.105 3.905 ( -11.010 -0.424 -4.443) 11.880 5.887 ( -19.815 0.601 3.719) 20.170 5.992 ( -20.666 0.713 -6.158) 21.576 7.397 ( -22.807 0.105 3.473) 23.070 7.425 ( -26.085 0.125 0.336) 26.087 7.593 ( -17.787 0.647 8.819) 19.864 7.765 ( -13.798 0.561 -7.558) 15.743 12.760 ( 52.229 -0.714 13.736) 54.009 13.044 ( 43.856 -0.634 -14.333) 46.143 16.799 ( 11.253 0.125 0.402) 11.261 16.894 ( 8.299 -1.493 -8.816) 12.199 18.547 ( 22.372 2.170 12.390) 25.665 18.782 ( 14.432 0.793 -10.555) 17.897 23.038 ( -25.055 -0.551 19.234) 31.591 23.401 ( -29.339 -0.652 -16.078) 33.462 24.003 ( -9.549 0.188 21.383) 23.419 24.406 ( -13.859 -0.430 -17.321) 22.187 24.999 ( 6.517 1.030 -0.149) 6.600 25.047 ( 2.052 -2.796 -3.489) 4.920 26.578 ( -9.969 0.043 6.987) 12.174 26.725 ( -2.246 0.129 -7.324) 7.661 28.479 ( 8.175 0.497 7.023) 10.788 28.546 ( 7.815 -1.864 0.514) 8.051 32.628 ( 12.651 3.316 2.958) 13.408 32.660 ( 12.855 -1.539 -0.139) 12.948 34.952 ( 19.531 0.268 0.076) 19.533 35.005 ( 18.958 0.280 -5.152) 19.648 37.271 ( 0.056 -0.567 20.081) 20.089 37.706 ( -2.356 -0.441 -23.045) 23.169 41.798 ( -4.784 -0.077 13.161) 14.004 42.038 ( -4.892 0.049 -10.844) 11.896 ======================= Grid point 759 (236/245) ======================= q-point: (-0.54 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.908 ( 10.735 2.106 2.736) 11.277 1.977 ( 12.866 1.835 -3.754) 13.528 3.039 ( -3.677 3.034 8.479) 9.727 3.238 ( -0.691 2.621 -8.778) 9.187 3.583 ( -11.747 -1.228 4.064) 12.491 3.700 ( -10.081 -1.214 -5.200) 11.408 5.527 ( -15.873 1.338 2.666) 16.151 5.617 ( -16.488 1.562 -5.588) 17.479 6.840 ( -32.094 0.972 1.916) 32.166 6.854 ( -31.750 -0.181 0.426) 31.753 7.303 ( -11.846 1.012 10.170) 15.645 7.508 ( -11.738 0.982 -9.533) 15.153 13.760 ( 47.308 0.022 6.275) 47.723 13.879 ( 39.407 0.048 -5.427) 39.779 17.066 ( 16.847 0.516 -0.891) 16.879 17.145 ( 16.268 -5.818 -8.671) 19.331 19.068 ( 33.334 5.643 6.757) 34.477 19.184 ( 27.543 0.606 -4.565) 27.926 22.451 ( -34.321 -1.933 11.760) 36.331 22.715 ( -40.049 -2.280 -14.131) 42.530 23.744 ( -18.174 -1.214 17.348) 25.153 24.072 ( -21.839 -2.373 -14.832) 26.506 25.096 ( 5.060 0.132 5.771) 7.676 25.180 ( 8.610 -1.917 -3.343) 9.433 26.377 ( -10.707 0.788 13.933) 17.589 26.662 ( -4.157 2.293 -13.534) 14.343 28.658 ( 10.211 0.272 7.887) 12.905 28.738 ( 9.772 -5.160 0.178) 11.052 32.865 ( 13.976 6.331 5.506) 16.301 32.942 ( 15.047 0.073 -2.108) 15.194 35.351 ( 20.881 0.122 0.116) 20.882 35.392 ( 20.174 -0.202 -3.989) 20.565 37.275 ( -0.343 -1.316 16.646) 16.702 37.646 ( -4.447 -1.135 -20.120) 20.637 41.684 ( -6.824 -0.211 12.800) 14.506 41.921 ( -6.877 0.186 -10.906) 12.895 ======================= Grid point 760 (237/245) ======================= q-point: (-0.46 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 4.002 3.078 6.801) 8.470 2.157 ( 7.086 2.989 -4.638) 8.981 2.972 ( -0.747 5.240 12.015) 13.129 3.207 ( -2.075 2.344 -7.338) 7.978 3.409 ( -5.010 0.419 5.389) 7.370 3.539 ( -6.644 -1.509 -4.914) 8.400 5.266 ( -9.781 1.893 2.197) 10.202 5.343 ( -10.313 2.025 -4.795) 11.552 6.197 ( -31.784 1.207 1.985) 31.869 6.224 ( -31.593 -0.045 -0.684) 31.600 7.107 ( -7.681 0.981 8.457) 11.467 7.303 ( -8.441 1.260 -10.240) 13.330 14.493 ( 26.828 1.332 3.275) 27.060 14.567 ( 30.462 -2.163 -3.811) 30.775 17.464 ( 23.472 0.528 1.391) 23.519 17.583 ( 23.543 -5.353 -10.240) 26.226 19.776 ( 41.437 4.796 5.010) 42.013 19.854 ( 41.818 2.530 -2.602) 41.976 21.782 ( -34.253 -4.802 5.410) 35.009 21.935 ( -40.063 -5.310 -9.680) 41.556 23.294 ( -29.492 -4.121 13.742) 32.796 23.565 ( -32.387 -4.870 -13.006) 35.239 25.218 ( 7.570 0.783 11.380) 13.690 25.365 ( 9.306 -0.328 -4.833) 10.491 26.141 ( -12.370 2.976 19.006) 22.872 26.523 ( -7.358 6.441 -17.416) 19.974 28.862 ( 9.528 -2.506 9.590) 13.749 28.977 ( 9.999 -8.712 -1.388) 13.334 33.077 ( 12.078 10.480 9.082) 18.390 33.222 ( 14.050 3.734 -5.349) 15.490 35.740 ( 18.118 -0.628 0.543) 18.137 35.786 ( 19.291 -2.680 -3.886) 19.860 37.266 ( -1.659 -1.655 11.880) 12.109 37.539 ( -7.458 -1.677 -15.213) 17.026 41.544 ( -7.241 -0.344 12.273) 14.253 41.777 ( -7.267 0.452 -11.031) 13.217 ======================= Grid point 761 (238/245) ======================= q-point: (-0.38 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 1.051 4.359 9.860) 10.832 2.235 ( 3.141 3.023 -7.274) 8.480 2.933 ( -0.368 5.617 13.042) 14.205 3.117 ( -4.957 -1.047 -3.503) 6.159 3.374 ( 0.170 3.665 7.435) 8.291 3.490 ( 1.849 1.961 -3.321) 4.277 5.123 ( -3.692 2.621 2.203) 5.035 5.194 ( -3.743 2.124 -4.211) 6.021 5.647 ( -21.996 0.588 0.717) 22.015 5.678 ( -22.546 -0.088 -2.163) 22.649 6.992 ( -3.652 0.772 6.646) 7.623 7.170 ( -4.317 1.373 -10.340) 11.288 14.867 ( 12.414 -1.380 6.712) 14.179 15.038 ( 15.345 -6.630 -9.819) 19.386 17.893 ( 19.167 5.125 2.648) 20.016 18.037 ( 18.567 -0.778 -11.374) 21.788 20.551 ( 33.864 3.700 8.764) 35.175 20.702 ( 38.486 4.078 -6.111) 39.181 21.314 ( -8.211 -9.404 -0.229) 12.487 21.335 ( -18.491 -9.319 -2.531) 20.860 22.649 ( -39.215 -7.679 10.570) 41.334 22.863 ( -42.571 -7.185 -10.577) 44.450 25.378 ( 9.533 2.206 13.580) 16.738 25.531 ( 7.318 0.933 -4.343) 8.561 25.867 ( -12.864 5.318 21.706) 25.786 26.319 ( -7.405 11.283 -20.082) 24.195 29.042 ( 5.917 -6.187 11.862) 14.628 29.205 ( 6.532 -12.004 -3.643) 14.143 33.193 ( 6.841 14.514 12.780) 20.513 33.417 ( 8.717 8.492 -9.436) 15.399 36.048 ( 11.693 -3.441 3.260) 12.617 36.157 ( 15.152 -5.890 -7.112) 17.744 37.228 ( -2.767 -0.968 6.771) 7.378 37.382 ( -8.783 -1.195 -8.549) 12.314 41.424 ( -4.794 -0.427 11.589) 12.549 41.650 ( -4.844 0.814 -11.055) 12.097 ======================= Grid point 762 (239/245) ======================= q-point: (-0.31 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.000 5.237 11.538) 12.671 2.249 ( 0.000 3.051 -9.314) 9.801 2.899 ( 0.000 4.028 13.206) 13.807 3.073 ( -0.000 -1.235 -4.099) 4.281 3.347 ( 0.000 5.242 12.336) 13.404 3.507 ( 0.000 4.833 -2.126) 5.280 5.074 ( 0.000 3.306 2.560) 4.181 5.157 ( 0.000 2.713 -4.763) 5.482 5.413 ( -0.000 -0.339 -0.729) 0.804 5.436 ( -0.000 -0.709 -2.925) 3.010 6.953 ( 0.000 0.769 5.785) 5.835 7.119 ( 0.000 1.589 -10.160) 10.284 15.005 ( -0.000 -3.537 9.330) 9.978 15.242 ( -0.000 -9.769 -13.626) 16.766 18.053 ( 0.000 8.627 3.649) 9.367 18.225 ( 0.000 2.593 -13.049) 13.304 20.756 ( -0.000 -2.594 7.746) 8.168 20.891 ( -0.000 -5.244 -5.963) 7.941 21.553 ( 0.000 2.861 9.470) 9.893 21.771 ( 0.000 3.629 -11.467) 12.027 22.051 ( -0.000 -16.441 8.356) 18.442 22.197 ( -0.000 -17.693 -6.144) 18.729 25.532 ( -0.000 -0.002 4.709) 4.709 25.606 ( 0.000 11.260 32.912) 34.785 25.627 ( -0.000 -0.548 -4.668) 4.700 26.153 ( 0.000 15.426 -21.621) 26.560 29.147 ( -0.000 -8.606 13.663) 16.147 29.349 ( -0.000 -14.185 -5.638) 15.265 33.169 ( 0.000 16.307 14.920) 22.103 33.443 ( 0.000 12.307 -12.324) 17.417 36.201 ( -0.000 -5.982 5.895) 8.399 36.372 ( -0.000 -8.303 -10.645) 13.500 37.195 ( -0.000 -0.086 4.046) 4.047 37.276 ( 0.000 0.030 -3.897) 3.898 41.377 ( -0.000 -0.516 10.960) 10.973 41.595 ( 0.000 1.100 -10.790) 10.846 ======================= Grid point 771 (240/245) ======================= q-point: (-0.62 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 10.714 0.000 2.562) 11.016 1.988 ( 13.091 0.000 -3.721) 13.610 3.057 ( -3.460 -0.000 8.170) 8.873 3.253 ( -0.524 -0.000 -8.815) 8.831 3.576 ( -11.662 -0.000 4.107) 12.364 3.693 ( -10.218 -0.000 -4.957) 11.357 5.535 ( -15.850 -0.000 2.749) 16.087 5.626 ( -16.491 -0.000 -5.604) 17.417 6.849 ( -31.841 -0.000 1.329) 31.868 6.851 ( -31.922 -0.000 0.960) 31.937 7.309 ( -11.959 -0.000 10.211) 15.725 7.514 ( -11.775 -0.000 -9.493) 15.125 13.760 ( 47.726 0.000 6.399) 48.153 13.879 ( 39.461 0.000 -5.307) 39.817 17.081 ( 18.332 0.000 -4.160) 18.798 17.099 ( 14.509 0.000 -5.766) 15.613 19.105 ( 33.880 0.000 5.079) 34.259 19.185 ( 26.893 0.000 -2.711) 27.029 22.440 ( -34.667 -0.000 11.479) 36.518 22.701 ( -40.477 -0.000 -14.196) 42.895 23.737 ( -18.672 -0.000 17.113) 25.328 24.058 ( -22.226 -0.000 -14.329) 26.444 25.097 ( 4.763 0.000 5.123) 6.995 25.167 ( 9.444 0.000 -2.938) 9.890 26.382 ( -10.289 -0.000 14.449) 17.738 26.676 ( -3.446 -0.000 -13.824) 14.247 28.666 ( 10.480 0.000 5.842) 11.998 28.701 ( 8.625 0.000 2.377) 8.947 32.921 ( 14.518 0.000 2.146) 14.676 32.925 ( 15.540 0.000 1.226) 15.588 35.352 ( 20.776 0.000 -0.002) 20.776 35.391 ( 19.757 0.000 -3.910) 20.140 37.267 ( -0.364 -0.000 16.689) 16.693 37.639 ( -4.509 -0.000 -20.181) 20.679 41.683 ( -6.836 -0.000 12.920) 14.617 41.922 ( -6.845 -0.000 -11.014) 12.967 ======================= Grid point 773 (241/245) ======================= q-point: (-0.54 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 4.163 1.143 6.363) 7.690 2.180 ( 6.948 1.052 -4.905) 8.569 3.016 ( -0.303 2.037 11.130) 11.319 3.220 ( -4.709 0.293 -4.131) 6.271 3.420 ( -1.865 1.013 1.918) 2.861 3.522 ( -6.904 -1.121 -3.822) 7.970 5.282 ( -9.725 0.732 2.299) 10.019 5.359 ( -10.473 0.717 -4.695) 11.499 6.209 ( -31.893 0.846 1.331) 31.932 6.221 ( -31.583 -0.404 0.108) 31.586 7.115 ( -7.890 0.326 8.576) 11.658 7.313 ( -8.551 0.414 -10.318) 13.407 14.510 ( 25.913 1.575 1.517) 26.006 14.541 ( 29.483 -2.007 -1.456) 29.587 17.477 ( 24.487 1.414 -2.168) 24.624 17.532 ( 25.427 -3.058 -7.556) 26.702 19.820 ( 38.941 2.285 3.839) 39.197 19.871 ( 43.678 0.503 -1.252) 43.699 21.742 ( -35.450 -1.807 4.893) 35.832 21.891 ( -41.078 -2.028 -9.795) 42.278 23.262 ( -30.247 -1.356 13.589) 33.187 23.527 ( -32.679 -1.641 -12.526) 35.036 25.223 ( 7.891 0.126 10.776) 13.357 25.361 ( 9.887 -0.250 -4.682) 10.942 26.167 ( -11.548 1.219 20.670) 23.709 26.575 ( -6.180 2.339 -18.298) 19.454 28.854 ( 8.645 1.254 6.128) 10.671 28.894 ( 9.228 -5.312 2.316) 10.897 33.178 ( 13.467 6.350 5.096) 15.737 33.236 ( 14.733 -1.208 -1.026) 14.818 35.740 ( 18.113 0.620 -0.928) 18.147 35.759 ( 17.631 -1.860 -2.802) 17.949 37.252 ( -1.417 -0.598 11.848) 11.947 37.525 ( -7.344 -0.603 -15.225) 16.914 41.541 ( -7.236 -0.114 12.596) 14.527 41.781 ( -7.190 0.155 -11.317) 13.409 ======================= Grid point 774 (242/245) ======================= q-point: (-0.46 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 761 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( 1.424 2.622 8.794) 9.286 2.262 ( 2.756 1.627 -6.858) 7.569 2.992 ( -1.047 4.335 9.975) 10.926 3.098 ( -5.829 -2.151 0.882) 6.276 3.415 ( 0.053 3.226 4.881) 5.851 3.500 ( 4.094 -0.057 -3.246) 5.225 5.149 ( -3.153 1.780 2.162) 4.217 5.212 ( -3.966 1.061 -3.492) 5.390 5.655 ( -22.564 0.601 0.495) 22.577 5.676 ( -22.682 -0.229 -1.547) 22.735 6.998 ( -3.864 0.329 6.857) 7.877 7.181 ( -4.462 0.632 -10.586) 11.506 14.859 ( 11.259 -0.062 4.125) 11.991 14.969 ( 13.050 -4.873 -6.673) 15.446 17.948 ( 21.807 4.074 -1.021) 22.208 18.026 ( 21.052 -1.154 -8.700) 22.808 20.592 ( 34.227 2.921 9.116) 35.540 20.750 ( 39.004 3.828 -6.572) 39.739 21.211 ( -11.710 -7.464 0.007) 13.886 21.243 ( -18.689 -6.009 -3.398) 19.923 22.583 ( -40.221 -3.776 10.955) 41.857 22.801 ( -42.897 -3.511 -10.642) 44.336 25.394 ( 9.522 0.726 11.943) 15.291 25.536 ( 7.403 0.179 -4.834) 8.843 25.920 ( -11.891 3.511 25.836) 28.657 26.422 ( -6.214 6.176 -21.402) 23.126 28.993 ( 5.088 -2.166 8.718) 10.324 29.087 ( 5.958 -7.969 -0.222) 9.953 33.344 ( 8.048 10.936 8.994) 16.287 33.479 ( 9.451 2.074 -4.595) 10.711 36.021 ( 10.581 -1.049 0.956) 10.676 36.095 ( 13.638 -4.473 -5.948) 15.537 37.219 ( -2.129 -0.525 6.686) 7.037 37.371 ( -8.070 -0.641 -8.429) 11.687 41.420 ( -4.769 -0.203 12.159) 13.062 41.658 ( -4.760 0.426 -11.554) 12.503 ======================= Grid point 775 (243/245) ======================= q-point: (-0.38 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 0.000 4.028 10.036) 10.815 2.279 ( 0.000 2.003 -8.111) 8.355 2.946 ( 0.000 3.957 9.856) 10.620 3.054 ( -0.000 -1.973 -0.946) 2.188 3.401 ( 0.000 3.957 10.769) 11.473 3.550 ( 0.000 2.451 -2.854) 3.762 5.114 ( 0.000 3.335 2.891) 4.414 5.181 ( 0.000 1.452 -3.201) 3.515 5.410 ( -0.000 -0.217 -1.003) 1.027 5.428 ( -0.000 -0.533 -2.767) 2.818 6.959 ( 0.000 0.342 6.076) 6.085 7.134 ( 0.000 0.850 -10.542) 10.577 14.973 ( -0.000 -1.801 6.018) 6.282 15.135 ( -0.000 -8.252 -9.753) 12.776 18.148 ( 0.000 7.444 -0.368) 7.453 18.251 ( 0.000 1.568 -10.292) 10.410 20.732 ( -0.000 -1.462 6.015) 6.190 20.838 ( -0.000 -3.716 -4.851) 6.111 21.581 ( 0.000 1.942 10.168) 10.352 21.806 ( 0.000 2.275 -11.367) 11.593 21.891 ( -0.000 -10.874 7.201) 13.042 22.018 ( -0.000 -12.511 -5.714) 13.754 25.533 ( 0.000 0.025 4.343) 4.343 25.621 ( -0.000 -0.411 -4.489) 4.507 25.718 ( 0.000 7.634 35.337) 36.152 26.303 ( 0.000 10.085 -22.967) 25.084 29.066 ( -0.000 -5.012 10.738) 11.851 29.202 ( -0.000 -10.735 -2.245) 10.968 33.350 ( 0.000 14.247 11.999) 18.627 33.552 ( 0.000 6.028 -8.097) 10.094 36.145 ( -0.000 -3.430 3.454) 4.868 36.281 ( -0.000 -7.101 -9.577) 11.922 37.194 ( -0.000 -0.060 4.098) 4.099 37.276 ( 0.000 0.020 -3.960) 3.960 41.373 ( -0.000 -0.285 11.759) 11.762 41.606 ( 0.000 0.704 -11.486) 11.508 ======================= Grid point 786 (244/245) ======================= q-point: (-0.54 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 1.581 0.000 8.355) 8.504 2.272 ( 2.603 0.000 -6.630) 7.123 3.023 ( -0.351 -0.000 7.860) 7.868 3.079 ( -6.932 -0.000 3.465) 7.750 3.438 ( -1.082 -0.000 3.538) 3.700 3.497 ( 5.832 0.000 -2.794) 6.467 5.160 ( -2.856 -0.000 2.006) 3.490 5.218 ( -4.124 -0.000 -3.135) 5.181 5.659 ( -22.873 -0.000 0.318) 22.876 5.674 ( -22.629 -0.000 -1.193) 22.661 7.000 ( -3.943 -0.000 6.922) 7.967 7.185 ( -4.519 -0.000 -10.668) 11.586 14.861 ( 10.901 0.000 2.666) 11.222 14.937 ( 12.184 0.000 -5.024) 13.180 17.977 ( 22.905 0.000 -3.051) 23.108 18.015 ( 21.837 0.000 -7.000) 22.931 20.610 ( 34.804 0.000 9.409) 36.053 20.776 ( 40.771 0.000 -6.986) 41.366 21.163 ( -14.760 -0.000 0.441) 14.766 21.206 ( -19.193 -0.000 -4.010) 19.607 22.561 ( -40.515 -0.000 11.112) 42.012 22.781 ( -42.935 -0.000 -10.647) 44.235 25.397 ( 9.520 0.000 11.431) 14.876 25.537 ( 7.436 0.000 -4.974) 8.947 25.942 ( -11.507 -0.000 27.138) 29.477 26.458 ( -5.841 -0.000 -21.790) 22.559 28.986 ( 4.516 0.000 6.532) 7.941 29.034 ( 6.048 0.000 1.998) 6.369 33.423 ( 8.536 0.000 5.674) 10.250 33.478 ( 9.666 0.000 -0.753) 9.695 36.019 ( 10.037 0.000 -0.613) 10.056 36.065 ( 13.221 0.000 -4.903) 14.101 37.216 ( -1.900 -0.000 6.656) 6.922 37.367 ( -7.813 -0.000 -8.390) 11.465 41.419 ( -4.759 -0.000 12.349) 13.234 41.660 ( -4.731 -0.000 -11.720) 12.639 ======================= Grid point 788 (245/245) ======================= q-point: (-0.46 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 7.40e-04 7.40e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 413 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.124 ( 0.000 1.549 9.011) 9.143 2.295 ( 0.000 0.660 -7.176) 7.206 2.989 ( 0.000 3.416 6.297) 7.164 3.027 ( -0.000 -2.700 2.506) 3.683 3.435 ( 0.000 1.591 9.408) 9.542 3.566 ( 0.000 0.560 -2.830) 2.885 5.145 ( 0.000 1.737 2.376) 2.943 5.190 ( 0.000 0.113 -1.616) 1.620 5.408 ( -0.000 -0.070 -1.183) 1.185 5.424 ( -0.000 -0.203 -2.654) 2.662 6.961 ( 0.000 0.082 6.212) 6.212 7.140 ( 0.000 0.252 -10.733) 10.736 14.964 ( 0.000 0.038 3.152) 3.152 15.061 ( -0.000 -3.778 -6.633) 7.633 18.217 ( 0.000 4.005 -3.604) 5.388 18.257 ( -0.000 -0.540 -7.657) 7.676 20.722 ( -0.000 -0.417 4.917) 4.935 20.808 ( -0.000 -1.386 -4.043) 4.274 21.597 ( 0.000 0.683 10.477) 10.500 21.805 ( -0.000 -3.762 6.321) 7.355 21.824 ( 0.000 0.772 -11.285) 11.311 21.917 ( -0.000 -4.564 -5.233) 6.943 25.533 ( 0.000 0.015 4.121) 4.121 25.618 ( -0.000 -0.154 -4.373) 4.376 25.778 ( 0.000 2.693 36.585) 36.684 26.383 ( 0.000 3.503 -23.554) 23.814 29.033 ( -0.000 -0.872 7.884) 7.932 29.109 ( -0.000 -4.747 0.664) 4.793 33.484 ( 0.000 7.880 7.657) 10.987 33.581 ( -0.000 -0.546 -2.544) 2.602 36.123 ( -0.000 -0.634 0.900) 1.101 36.218 ( -0.000 -3.256 -8.193) 8.817 37.194 ( -0.000 -0.022 4.127) 4.127 37.276 ( 0.000 0.007 -3.996) 3.996 41.371 ( -0.000 -0.089 12.158) 12.159 41.611 ( 0.000 0.242 -11.835) 11.837 =================== 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 3/54756 10.0 664.089 2571.617 282.043 0.000 0.000 0.000 3/54756 20.0 204.637 251.958 113.725 0.000 0.000 0.000 3/54756 30.0 90.065 85.244 52.716 0.000 0.000 0.000 3/54756 40.0 55.096 46.328 33.100 0.000 0.000 0.000 3/54756 50.0 39.592 30.935 23.880 0.000 0.000 0.000 3/54756 60.0 31.132 22.982 18.587 0.000 0.000 0.000 3/54756 70.0 25.880 18.200 15.180 0.000 0.000 0.000 3/54756 80.0 22.308 15.033 12.816 0.000 0.000 0.000 3/54756 90.0 19.701 12.789 11.083 0.000 0.000 0.000 3/54756 100.0 17.692 11.118 9.756 0.000 0.000 0.000 3/54756 110.0 16.074 9.825 8.707 0.000 0.000 0.000 3/54756 120.0 14.730 8.793 7.853 0.000 0.000 0.000 3/54756 130.0 13.586 7.948 7.144 0.000 0.000 0.000 3/54756 140.0 12.595 7.244 6.544 0.000 0.000 0.000 3/54756 150.0 11.725 6.646 6.030 0.000 0.000 0.000 3/54756 160.0 10.954 6.133 5.584 0.000 0.000 0.000 3/54756 170.0 10.267 5.687 5.194 0.000 0.000 0.000 3/54756 180.0 9.651 5.297 4.850 0.000 0.000 0.000 3/54756 190.0 9.095 4.952 4.546 0.000 0.000 0.000 3/54756 200.0 8.593 4.646 4.274 0.000 0.000 0.000 3/54756 210.0 8.138 4.372 4.030 0.000 0.000 0.000 3/54756 220.0 7.723 4.126 3.811 0.000 0.000 0.000 3/54756 230.0 7.345 3.905 3.613 0.000 0.000 0.000 3/54756 240.0 6.999 3.704 3.433 0.000 0.000 0.000 3/54756 250.0 6.682 3.521 3.269 0.000 0.000 0.000 3/54756 260.0 6.390 3.355 3.120 0.000 0.000 0.000 3/54756 270.0 6.121 3.203 2.983 0.000 0.000 0.000 3/54756 280.0 5.873 3.063 2.857 0.000 0.000 0.000 3/54756 290.0 5.643 2.934 2.741 0.000 0.000 0.000 3/54756 300.0 5.429 2.816 2.634 0.000 0.000 0.000 3/54756 310.0 5.231 2.706 2.535 0.000 0.000 0.000 3/54756 320.0 5.045 2.604 2.443 0.000 0.000 0.000 3/54756 330.0 4.873 2.510 2.357 0.000 0.000 0.000 3/54756 340.0 4.711 2.422 2.277 0.000 0.000 0.000 3/54756 350.0 4.559 2.339 2.203 0.000 0.000 0.000 3/54756 360.0 4.417 2.262 2.133 0.000 0.000 0.000 3/54756 370.0 4.283 2.190 2.067 0.000 0.000 0.000 3/54756 380.0 4.157 2.123 2.006 0.000 0.000 0.000 3/54756 390.0 4.038 2.059 1.948 0.000 0.000 0.000 3/54756 400.0 3.926 1.999 1.893 0.000 0.000 0.000 3/54756 410.0 3.820 1.943 1.842 0.000 0.000 0.000 3/54756 420.0 3.719 1.889 1.793 0.000 0.000 0.000 3/54756 430.0 3.623 1.839 1.746 0.000 0.000 0.000 3/54756 440.0 3.532 1.791 1.703 0.000 0.000 0.000 3/54756 450.0 3.446 1.745 1.661 0.000 0.000 0.000 3/54756 460.0 3.364 1.702 1.621 0.000 0.000 0.000 3/54756 470.0 3.286 1.661 1.583 0.000 0.000 0.000 3/54756 480.0 3.211 1.622 1.547 0.000 0.000 0.000 3/54756 490.0 3.139 1.585 1.513 0.000 0.000 0.000 3/54756 500.0 3.071 1.549 1.480 0.000 0.000 0.000 3/54756 510.0 3.006 1.515 1.449 0.000 0.000 0.000 3/54756 520.0 2.943 1.483 1.419 0.000 0.000 0.000 3/54756 530.0 2.883 1.452 1.390 0.000 0.000 0.000 3/54756 540.0 2.826 1.422 1.362 0.000 0.000 0.000 3/54756 550.0 2.770 1.393 1.336 0.000 0.000 0.000 3/54756 560.0 2.717 1.366 1.310 0.000 0.000 0.000 3/54756 570.0 2.666 1.339 1.286 0.000 0.000 0.000 3/54756 580.0 2.617 1.314 1.262 0.000 0.000 0.000 3/54756 590.0 2.569 1.290 1.240 0.000 0.000 0.000 3/54756 600.0 2.524 1.266 1.218 0.000 0.000 0.000 3/54756 610.0 2.480 1.243 1.197 0.000 0.000 0.000 3/54756 620.0 2.437 1.222 1.176 0.000 0.000 0.000 3/54756 630.0 2.396 1.201 1.157 0.000 0.000 0.000 3/54756 640.0 2.356 1.180 1.138 0.000 0.000 0.000 3/54756 650.0 2.318 1.161 1.119 0.000 0.000 0.000 3/54756 660.0 2.281 1.142 1.101 0.000 0.000 0.000 3/54756 670.0 2.245 1.123 1.084 0.000 0.000 0.000 3/54756 680.0 2.210 1.106 1.067 0.000 0.000 0.000 3/54756 690.0 2.176 1.088 1.051 0.000 0.000 0.000 3/54756 700.0 2.144 1.072 1.036 0.000 0.000 0.000 3/54756 710.0 2.112 1.056 1.020 0.000 0.000 0.000 3/54756 720.0 2.081 1.040 1.006 0.000 0.000 0.000 3/54756 730.0 2.051 1.025 0.991 0.000 0.000 0.000 3/54756 740.0 2.022 1.010 0.977 0.000 0.000 0.000 3/54756 750.0 1.994 0.996 0.964 0.000 0.000 0.000 3/54756 760.0 1.967 0.982 0.951 0.000 0.000 0.000 3/54756 770.0 1.940 0.968 0.938 0.000 0.000 0.000 3/54756 780.0 1.914 0.955 0.926 0.000 0.000 0.000 3/54756 790.0 1.889 0.942 0.913 0.000 0.000 0.000 3/54756 800.0 1.864 0.930 0.902 0.000 0.000 0.000 3/54756 810.0 1.840 0.918 0.890 0.000 0.000 0.000 3/54756 820.0 1.817 0.906 0.879 0.000 0.000 0.000 3/54756 830.0 1.794 0.894 0.868 0.000 0.000 0.000 3/54756 840.0 1.772 0.883 0.857 0.000 0.000 0.000 3/54756 850.0 1.751 0.872 0.847 0.000 0.000 0.000 3/54756 860.0 1.730 0.862 0.837 0.000 0.000 0.000 3/54756 870.0 1.709 0.851 0.827 0.000 0.000 0.000 3/54756 880.0 1.689 0.841 0.817 0.000 0.000 0.000 3/54756 890.0 1.669 0.831 0.808 0.000 0.000 0.000 3/54756 900.0 1.650 0.822 0.799 0.000 0.000 0.000 3/54756 910.0 1.631 0.812 0.790 0.000 0.000 0.000 3/54756 920.0 1.613 0.803 0.781 0.000 0.000 0.000 3/54756 930.0 1.595 0.794 0.772 0.000 0.000 0.000 3/54756 940.0 1.578 0.785 0.764 0.000 0.000 0.000 3/54756 950.0 1.561 0.777 0.756 0.000 0.000 0.000 3/54756 960.0 1.544 0.768 0.748 0.000 0.000 0.000 3/54756 970.0 1.528 0.760 0.740 0.000 0.000 0.000 3/54756 980.0 1.512 0.752 0.732 0.000 0.000 0.000 3/54756 990.0 1.496 0.744 0.725 0.000 0.000 0.000 3/54756 1000.0 1.481 0.736 0.717 0.000 0.000 0.000 3/54756 Thermal conductivity related properties were written into "kappa-m13139.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:09:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|