----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:22:34]------------------------- 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: [2 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.618365255224925 -5.675622330000001 0.000000000000000 b 3.618365255224925 5.675622330000001 0.000000000000000 c -3.374475000550935 0.000000000000000 3.922817245852184 Atomic positions (fractional): *1 O 0.64160300416049 0.05616964234489 0.34091516697032 15.999 2 O 0.94383035765511 0.35839699583951 0.15908483302968 15.999 3 O 0.35839699583951 0.94383035765511 0.65908483302968 15.999 4 O 0.05616964234489 0.64160300416049 0.84091516697032 15.999 *5 O 0.20855422496101 0.27114175576330 0.69696380939916 15.999 6 O 0.72885824423670 0.79144577503899 0.80303619060084 15.999 7 O 0.79144577503899 0.72885824423670 0.30303619060084 15.999 8 O 0.27114175576330 0.20855422496101 0.19696380939916 15.999 *9 Nb 0.10235324255863 0.89764675744137 0.75000000000000 92.906 10 Nb 0.89764675744137 0.10235324255863 0.25000000000000 92.906 *11 Pr 0.62982240200457 0.37017759799543 0.75000000000000 140.908 12 Pr 0.37017759799543 0.62982240200457 0.25000000000000 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.236730510449850 0.000000000000000 0.000000000000000 b 0.000000000000000 11.351244660000003 0.000000000000000 c -3.374475000550935 0.000000000000000 3.922817245852184 Atomic positions (fractional): *1 O 0.34888632325269 0.70728331909220 0.34091516697032 15.999 > 1 2 O 0.65111367674731 0.70728331909220 0.15908483302968 15.999 > 2 3 O 0.15111367674731 0.79271668090780 0.65908483302968 15.999 > 3 4 O 0.84888632325269 0.79271668090780 0.84091516697032 15.999 > 4 *5 O 0.73984799036215 0.53129376540114 0.69696380939916 15.999 > 5 6 O 0.26015200963785 0.53129376540114 0.80303619060084 15.999 > 6 7 O 0.76015200963785 0.96870623459886 0.30303619060084 15.999 > 7 8 O 0.23984799036216 0.96870623459886 0.19696380939916 15.999 > 8 9 O 0.84888632325269 0.20728331909220 0.34091516697032 15.999 > 1 10 O 0.15111367674731 0.20728331909220 0.15908483302968 15.999 > 2 11 O 0.65111367674731 0.29271668090780 0.65908483302968 15.999 > 3 12 O 0.34888632325269 0.29271668090780 0.84091516697032 15.999 > 4 13 O 0.23984799036216 0.03129376540114 0.69696380939916 15.999 > 5 14 O 0.76015200963785 0.03129376540114 0.80303619060084 15.999 > 6 15 O 0.26015200963785 0.46870623459886 0.30303619060084 15.999 > 7 16 O 0.73984799036215 0.46870623459886 0.19696380939916 15.999 > 8 *17 Nb 0.00000000000000 0.89764675744137 0.75000000000000 92.906 > 9 18 Nb 0.50000000000000 0.60235324255863 0.25000000000000 92.906 > 10 19 Nb 0.50000000000000 0.39764675744137 0.75000000000000 92.906 > 9 20 Nb 0.00000000000000 0.10235324255863 0.25000000000000 92.906 > 10 *21 Pr 0.50000000000000 0.87017759799543 0.75000000000000 140.908 > 11 22 Pr 0.00000000000000 0.62982240200457 0.25000000000000 140.908 > 12 23 Pr 0.00000000000000 0.37017759799543 0.75000000000000 140.908 > 11 24 Pr 0.50000000000000 0.12982240200457 0.25000000000000 140.908 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.473461020899700 0.000000000000000 0.000000000000000 b 0.000000000000000 11.351244660000003 0.000000000000000 c -10.123425001652805 0.000000000000000 11.768451737556553 Atomic positions (fractional): *1 O 0.17444316162635 0.70728331909220 0.11363838899011 15.999 > 1 2 O 0.67444316162635 0.70728331909220 0.11363838899011 15.999 > 1 3 O 0.17444316162635 0.70728331909220 0.44697172232344 15.999 > 1 4 O 0.67444316162635 0.70728331909220 0.44697172232344 15.999 > 1 5 O 0.17444316162635 0.70728331909220 0.78030505565677 15.999 > 1 6 O 0.67444316162635 0.70728331909220 0.78030505565677 15.999 > 1 7 O 0.32555683837365 0.70728331909220 0.05302827767656 15.999 > 2 8 O 0.82555683837365 0.70728331909220 0.05302827767656 15.999 > 2 9 O 0.32555683837365 0.70728331909220 0.38636161100989 15.999 > 2 10 O 0.82555683837365 0.70728331909220 0.38636161100989 15.999 > 2 11 O 0.32555683837365 0.70728331909220 0.71969494434323 15.999 > 2 12 O 0.82555683837365 0.70728331909220 0.71969494434323 15.999 > 2 13 O 0.07555683837365 0.79271668090780 0.21969494434323 15.999 > 3 14 O 0.57555683837365 0.79271668090780 0.21969494434323 15.999 > 3 15 O 0.07555683837365 0.79271668090780 0.55302827767656 15.999 > 3 16 O 0.57555683837365 0.79271668090780 0.55302827767656 15.999 > 3 17 O 0.07555683837365 0.79271668090780 0.88636161100989 15.999 > 3 18 O 0.57555683837365 0.79271668090780 0.88636161100989 15.999 > 3 19 O 0.42444316162635 0.79271668090780 0.28030505565677 15.999 > 4 20 O 0.92444316162635 0.79271668090780 0.28030505565677 15.999 > 4 21 O 0.42444316162635 0.79271668090780 0.61363838899011 15.999 > 4 22 O 0.92444316162635 0.79271668090780 0.61363838899011 15.999 > 4 23 O 0.42444316162635 0.79271668090780 0.94697172232344 15.999 > 4 24 O 0.92444316162635 0.79271668090780 0.94697172232344 15.999 > 4 *25 O 0.36992399518108 0.53129376540114 0.23232126979972 15.999 > 5 26 O 0.86992399518108 0.53129376540114 0.23232126979972 15.999 > 5 27 O 0.36992399518108 0.53129376540114 0.56565460313305 15.999 > 5 28 O 0.86992399518108 0.53129376540114 0.56565460313305 15.999 > 5 29 O 0.36992399518108 0.53129376540114 0.89898793646639 15.999 > 5 30 O 0.86992399518108 0.53129376540114 0.89898793646639 15.999 > 5 31 O 0.13007600481892 0.53129376540114 0.26767873020028 15.999 > 6 32 O 0.63007600481892 0.53129376540114 0.26767873020028 15.999 > 6 33 O 0.13007600481892 0.53129376540114 0.60101206353361 15.999 > 6 34 O 0.63007600481892 0.53129376540114 0.60101206353361 15.999 > 6 35 O 0.13007600481892 0.53129376540114 0.93434539686695 15.999 > 6 36 O 0.63007600481892 0.53129376540114 0.93434539686695 15.999 > 6 37 O 0.38007600481892 0.96870623459886 0.10101206353361 15.999 > 7 38 O 0.88007600481892 0.96870623459886 0.10101206353361 15.999 > 7 39 O 0.38007600481892 0.96870623459886 0.43434539686695 15.999 > 7 40 O 0.88007600481892 0.96870623459886 0.43434539686695 15.999 > 7 41 O 0.38007600481892 0.96870623459886 0.76767873020028 15.999 > 7 42 O 0.88007600481892 0.96870623459886 0.76767873020028 15.999 > 7 43 O 0.11992399518108 0.96870623459886 0.06565460313305 15.999 > 8 44 O 0.61992399518108 0.96870623459886 0.06565460313305 15.999 > 8 45 O 0.11992399518108 0.96870623459886 0.39898793646639 15.999 > 8 46 O 0.61992399518108 0.96870623459886 0.39898793646639 15.999 > 8 47 O 0.11992399518108 0.96870623459886 0.73232126979972 15.999 > 8 48 O 0.61992399518108 0.96870623459886 0.73232126979972 15.999 > 8 49 O 0.42444316162635 0.20728331909220 0.11363838899011 15.999 > 1 50 O 0.92444316162635 0.20728331909220 0.11363838899011 15.999 > 1 51 O 0.42444316162635 0.20728331909220 0.44697172232344 15.999 > 1 52 O 0.92444316162635 0.20728331909220 0.44697172232344 15.999 > 1 53 O 0.42444316162635 0.20728331909220 0.78030505565677 15.999 > 1 54 O 0.92444316162635 0.20728331909220 0.78030505565677 15.999 > 1 55 O 0.07555683837365 0.20728331909220 0.05302827767656 15.999 > 2 56 O 0.57555683837365 0.20728331909220 0.05302827767656 15.999 > 2 57 O 0.07555683837365 0.20728331909220 0.38636161100989 15.999 > 2 58 O 0.57555683837365 0.20728331909220 0.38636161100989 15.999 > 2 59 O 0.07555683837365 0.20728331909220 0.71969494434323 15.999 > 2 60 O 0.57555683837365 0.20728331909220 0.71969494434323 15.999 > 2 61 O 0.32555683837365 0.29271668090780 0.21969494434323 15.999 > 3 62 O 0.82555683837365 0.29271668090780 0.21969494434323 15.999 > 3 63 O 0.32555683837365 0.29271668090780 0.55302827767656 15.999 > 3 64 O 0.82555683837365 0.29271668090780 0.55302827767656 15.999 > 3 65 O 0.32555683837365 0.29271668090780 0.88636161100989 15.999 > 3 66 O 0.82555683837365 0.29271668090780 0.88636161100989 15.999 > 3 67 O 0.17444316162635 0.29271668090780 0.28030505565677 15.999 > 4 68 O 0.67444316162635 0.29271668090780 0.28030505565677 15.999 > 4 69 O 0.17444316162635 0.29271668090780 0.61363838899011 15.999 > 4 70 O 0.67444316162635 0.29271668090780 0.61363838899011 15.999 > 4 71 O 0.17444316162635 0.29271668090780 0.94697172232344 15.999 > 4 72 O 0.67444316162635 0.29271668090780 0.94697172232344 15.999 > 4 73 O 0.11992399518108 0.03129376540114 0.23232126979972 15.999 > 5 74 O 0.61992399518108 0.03129376540114 0.23232126979972 15.999 > 5 75 O 0.11992399518108 0.03129376540114 0.56565460313305 15.999 > 5 76 O 0.61992399518108 0.03129376540114 0.56565460313305 15.999 > 5 77 O 0.11992399518108 0.03129376540114 0.89898793646639 15.999 > 5 78 O 0.61992399518108 0.03129376540114 0.89898793646639 15.999 > 5 79 O 0.38007600481892 0.03129376540114 0.26767873020028 15.999 > 6 80 O 0.88007600481892 0.03129376540114 0.26767873020028 15.999 > 6 81 O 0.38007600481892 0.03129376540114 0.60101206353361 15.999 > 6 82 O 0.88007600481892 0.03129376540114 0.60101206353361 15.999 > 6 83 O 0.38007600481892 0.03129376540114 0.93434539686695 15.999 > 6 84 O 0.88007600481892 0.03129376540114 0.93434539686695 15.999 > 6 85 O 0.13007600481892 0.46870623459886 0.10101206353361 15.999 > 7 86 O 0.63007600481892 0.46870623459886 0.10101206353361 15.999 > 7 87 O 0.13007600481892 0.46870623459886 0.43434539686695 15.999 > 7 88 O 0.63007600481892 0.46870623459886 0.43434539686695 15.999 > 7 89 O 0.13007600481892 0.46870623459886 0.76767873020028 15.999 > 7 90 O 0.63007600481892 0.46870623459886 0.76767873020028 15.999 > 7 91 O 0.36992399518108 0.46870623459886 0.06565460313305 15.999 > 8 92 O 0.86992399518108 0.46870623459886 0.06565460313305 15.999 > 8 93 O 0.36992399518108 0.46870623459886 0.39898793646639 15.999 > 8 94 O 0.86992399518108 0.46870623459886 0.39898793646639 15.999 > 8 95 O 0.36992399518108 0.46870623459886 0.73232126979972 15.999 > 8 96 O 0.86992399518108 0.46870623459886 0.73232126979972 15.999 > 8 *97 Nb 0.00000000000000 0.89764675744137 0.25000000000000 92.906 > 9 98 Nb 0.50000000000000 0.89764675744137 0.25000000000000 92.906 > 9 99 Nb 0.00000000000000 0.89764675744137 0.58333333333333 92.906 > 9 100 Nb 0.50000000000000 0.89764675744137 0.58333333333333 92.906 > 9 101 Nb 0.00000000000000 0.89764675744137 0.91666666666667 92.906 > 9 102 Nb 0.50000000000000 0.89764675744137 0.91666666666667 92.906 > 9 103 Nb 0.25000000000000 0.60235324255863 0.08333333333333 92.906 > 10 104 Nb 0.75000000000000 0.60235324255863 0.08333333333333 92.906 > 10 105 Nb 0.25000000000000 0.60235324255863 0.41666666666667 92.906 > 10 106 Nb 0.75000000000000 0.60235324255863 0.41666666666667 92.906 > 10 107 Nb 0.25000000000000 0.60235324255863 0.75000000000000 92.906 > 10 108 Nb 0.75000000000000 0.60235324255863 0.75000000000000 92.906 > 10 109 Nb 0.25000000000000 0.39764675744137 0.25000000000000 92.906 > 9 110 Nb 0.75000000000000 0.39764675744137 0.25000000000000 92.906 > 9 111 Nb 0.25000000000000 0.39764675744137 0.58333333333333 92.906 > 9 112 Nb 0.75000000000000 0.39764675744137 0.58333333333333 92.906 > 9 113 Nb 0.25000000000000 0.39764675744137 0.91666666666667 92.906 > 9 114 Nb 0.75000000000000 0.39764675744137 0.91666666666667 92.906 > 9 115 Nb 0.00000000000000 0.10235324255863 0.08333333333333 92.906 > 10 116 Nb 0.50000000000000 0.10235324255863 0.08333333333333 92.906 > 10 117 Nb 0.00000000000000 0.10235324255863 0.41666666666667 92.906 > 10 118 Nb 0.50000000000000 0.10235324255863 0.41666666666667 92.906 > 10 119 Nb 0.00000000000000 0.10235324255863 0.75000000000000 92.906 > 10 120 Nb 0.50000000000000 0.10235324255863 0.75000000000000 92.906 > 10 *121 Pr 0.25000000000000 0.87017759799543 0.25000000000000 140.908 > 11 122 Pr 0.75000000000000 0.87017759799543 0.25000000000000 140.908 > 11 123 Pr 0.25000000000000 0.87017759799543 0.58333333333333 140.908 > 11 124 Pr 0.75000000000000 0.87017759799543 0.58333333333333 140.908 > 11 125 Pr 0.25000000000000 0.87017759799543 0.91666666666667 140.908 > 11 126 Pr 0.75000000000000 0.87017759799543 0.91666666666667 140.908 > 11 127 Pr 0.00000000000000 0.62982240200457 0.08333333333333 140.908 > 12 128 Pr 0.50000000000000 0.62982240200457 0.08333333333333 140.908 > 12 129 Pr 0.00000000000000 0.62982240200457 0.41666666666667 140.908 > 12 130 Pr 0.50000000000000 0.62982240200457 0.41666666666667 140.908 > 12 131 Pr 0.00000000000000 0.62982240200457 0.75000000000000 140.908 > 12 132 Pr 0.50000000000000 0.62982240200457 0.75000000000000 140.908 > 12 133 Pr 0.00000000000000 0.37017759799543 0.25000000000000 140.908 > 11 134 Pr 0.50000000000000 0.37017759799543 0.25000000000000 140.908 > 11 135 Pr 0.00000000000000 0.37017759799543 0.58333333333333 140.908 > 11 136 Pr 0.50000000000000 0.37017759799543 0.58333333333333 140.908 > 11 137 Pr 0.00000000000000 0.37017759799543 0.91666666666667 140.908 > 11 138 Pr 0.50000000000000 0.37017759799543 0.91666666666667 140.908 > 11 139 Pr 0.25000000000000 0.12982240200457 0.08333333333333 140.908 > 12 140 Pr 0.75000000000000 0.12982240200457 0.08333333333333 140.908 > 12 141 Pr 0.25000000000000 0.12982240200457 0.41666666666667 140.908 > 12 142 Pr 0.75000000000000 0.12982240200457 0.41666666666667 140.908 > 12 143 Pr 0.25000000000000 0.12982240200457 0.75000000000000 140.908 > 12 144 Pr 0.75000000000000 0.12982240200457 0.75000000000000 140.908 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1256324 0.0000000 -0.2710227 0.0000000 4.7534651 0.0000000 -0.2710379 0.0000000 5.0249133 -------------------------- Born effective charges -------------------------- 1 O -3.3619005 1.0842734 0.4198566 1.0104447 -2.5747137 -0.6517462 0.4614606 -0.5905160 -1.4616131 2 O -3.3619005 -1.0842734 0.4198566 -1.0104447 -2.5747137 0.6517462 0.4614606 0.5905160 -1.4616131 3 O -3.3619005 1.0842734 0.4198566 1.0104447 -2.5747137 -0.6517462 0.4614606 -0.5905160 -1.4616131 4 O -3.3619005 -1.0842734 0.4198566 -1.0104447 -2.5747137 0.6517462 0.4614606 0.5905160 -1.4616131 5 O -1.8143352 -0.0767483 -0.0265326 0.0097553 -2.0864245 0.6433831 -0.0598179 0.6873616 -3.5606755 6 O -1.8143352 0.0767483 -0.0265326 -0.0097553 -2.0864245 -0.6433831 -0.0598179 -0.6873616 -3.5606755 7 O -1.8143352 -0.0767483 -0.0265326 0.0097553 -2.0864245 0.6433831 -0.0598179 0.6873616 -3.5606755 8 O -1.8143352 0.0767483 -0.0265326 -0.0097553 -2.0864245 -0.6433831 -0.0598179 -0.6873616 -3.5606755 9 Nb 5.6131306 0.0000000 -0.7519620 0.0000000 5.1992145 0.0000000 -1.3086111 0.0000000 5.4771579 10 Nb 5.6131306 0.0000000 -0.7519620 0.0000000 5.1992145 0.0000000 -1.3086111 0.0000000 5.4771579 11 Pr 4.7393407 0.0000000 -0.0346859 0.0000000 4.1230618 0.0000000 0.5053256 0.0000000 4.5674191 12 Pr 4.7393407 0.0000000 -0.0346859 0.0000000 4.1230618 0.0000000 0.5053256 0.0000000 4.5674191 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.909 Solver_block: 200 / 400 - Time: 0.911 Solver_block: 300 / 400 - Time: 0.916 Solver_block: 400 / 400 - Time: 0.918 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.741 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9972/9972 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2074 Number of blocks in projector: 2074 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 424 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 262 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 262 Use standard eigh solver. Tree of FC basis block matrices: - (2074, 2047), data: False |-- (262, 258), data: True |-- (262, 258), data: True |-- (262, 258), data: True |-- (424, 420), data: True |-- (424, 420), data: True |-- (440, 433), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:22:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:22:59]------------------------- 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): [2 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.618365255224925 -5.675622330000001 0.000000000000000 b 3.618365255224925 5.675622330000001 0.000000000000000 c -3.374475000550935 0.000000000000000 3.922817245852184 Atomic positions (fractional): 1 O 0.64160300416049 0.05616964234489 0.34091516697032 15.999 2 O 0.94383035765511 0.35839699583951 0.15908483302968 15.999 3 O 0.35839699583951 0.94383035765511 0.65908483302968 15.999 4 O 0.05616964234489 0.64160300416049 0.84091516697032 15.999 5 O 0.20855422496101 0.27114175576330 0.69696380939916 15.999 6 O 0.72885824423670 0.79144577503899 0.80303619060084 15.999 7 O 0.79144577503899 0.72885824423670 0.30303619060084 15.999 8 O 0.27114175576330 0.20855422496101 0.19696380939916 15.999 9 Nb 0.10235324255863 0.89764675744137 0.75000000000000 92.906 10 Nb 0.89764675744137 0.10235324255863 0.25000000000000 92.906 11 Pr 0.62982240200457 0.37017759799543 0.75000000000000 140.908 12 Pr 0.37017759799543 0.62982240200457 0.25000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.473461020899700 0.000000000000000 0.000000000000000 b 0.000000000000000 11.351244660000003 0.000000000000000 c -10.123425001652805 0.000000000000000 11.768451737556553 Atomic positions (fractional): 1 O 0.17444316162635 0.70728331909220 0.11363838899011 15.999 > 1 2 O 0.67444316162635 0.70728331909220 0.11363838899011 15.999 > 1 3 O 0.17444316162635 0.70728331909220 0.44697172232344 15.999 > 1 4 O 0.67444316162635 0.70728331909220 0.44697172232344 15.999 > 1 5 O 0.17444316162635 0.70728331909220 0.78030505565677 15.999 > 1 6 O 0.67444316162635 0.70728331909220 0.78030505565677 15.999 > 1 7 O 0.32555683837365 0.70728331909220 0.05302827767656 15.999 > 7 8 O 0.82555683837365 0.70728331909220 0.05302827767656 15.999 > 7 9 O 0.32555683837365 0.70728331909220 0.38636161100989 15.999 > 7 10 O 0.82555683837365 0.70728331909220 0.38636161100989 15.999 > 7 11 O 0.32555683837365 0.70728331909220 0.71969494434323 15.999 > 7 12 O 0.82555683837365 0.70728331909220 0.71969494434323 15.999 > 7 13 O 0.07555683837365 0.79271668090780 0.21969494434323 15.999 > 13 14 O 0.57555683837365 0.79271668090780 0.21969494434323 15.999 > 13 15 O 0.07555683837365 0.79271668090780 0.55302827767656 15.999 > 13 16 O 0.57555683837365 0.79271668090780 0.55302827767656 15.999 > 13 17 O 0.07555683837365 0.79271668090780 0.88636161100989 15.999 > 13 18 O 0.57555683837365 0.79271668090780 0.88636161100989 15.999 > 13 19 O 0.42444316162635 0.79271668090780 0.28030505565677 15.999 > 19 20 O 0.92444316162635 0.79271668090780 0.28030505565677 15.999 > 19 21 O 0.42444316162635 0.79271668090780 0.61363838899011 15.999 > 19 22 O 0.92444316162635 0.79271668090780 0.61363838899011 15.999 > 19 23 O 0.42444316162635 0.79271668090780 0.94697172232344 15.999 > 19 24 O 0.92444316162635 0.79271668090780 0.94697172232344 15.999 > 19 25 O 0.36992399518108 0.53129376540114 0.23232126979972 15.999 > 25 26 O 0.86992399518108 0.53129376540114 0.23232126979972 15.999 > 25 27 O 0.36992399518108 0.53129376540114 0.56565460313305 15.999 > 25 28 O 0.86992399518108 0.53129376540114 0.56565460313305 15.999 > 25 29 O 0.36992399518108 0.53129376540114 0.89898793646639 15.999 > 25 30 O 0.86992399518108 0.53129376540114 0.89898793646639 15.999 > 25 31 O 0.13007600481892 0.53129376540114 0.26767873020028 15.999 > 31 32 O 0.63007600481892 0.53129376540114 0.26767873020028 15.999 > 31 33 O 0.13007600481892 0.53129376540114 0.60101206353361 15.999 > 31 34 O 0.63007600481892 0.53129376540114 0.60101206353361 15.999 > 31 35 O 0.13007600481892 0.53129376540114 0.93434539686695 15.999 > 31 36 O 0.63007600481892 0.53129376540114 0.93434539686695 15.999 > 31 37 O 0.38007600481892 0.96870623459886 0.10101206353361 15.999 > 37 38 O 0.88007600481892 0.96870623459886 0.10101206353361 15.999 > 37 39 O 0.38007600481892 0.96870623459886 0.43434539686695 15.999 > 37 40 O 0.88007600481892 0.96870623459886 0.43434539686695 15.999 > 37 41 O 0.38007600481892 0.96870623459886 0.76767873020028 15.999 > 37 42 O 0.88007600481892 0.96870623459886 0.76767873020028 15.999 > 37 43 O 0.11992399518108 0.96870623459886 0.06565460313305 15.999 > 43 44 O 0.61992399518108 0.96870623459886 0.06565460313305 15.999 > 43 45 O 0.11992399518108 0.96870623459886 0.39898793646639 15.999 > 43 46 O 0.61992399518108 0.96870623459886 0.39898793646639 15.999 > 43 47 O 0.11992399518108 0.96870623459886 0.73232126979972 15.999 > 43 48 O 0.61992399518108 0.96870623459886 0.73232126979972 15.999 > 43 49 O 0.42444316162635 0.20728331909220 0.11363838899011 15.999 > 1 50 O 0.92444316162635 0.20728331909220 0.11363838899011 15.999 > 1 51 O 0.42444316162635 0.20728331909220 0.44697172232344 15.999 > 1 52 O 0.92444316162635 0.20728331909220 0.44697172232344 15.999 > 1 53 O 0.42444316162635 0.20728331909220 0.78030505565677 15.999 > 1 54 O 0.92444316162635 0.20728331909220 0.78030505565677 15.999 > 1 55 O 0.07555683837365 0.20728331909220 0.05302827767656 15.999 > 7 56 O 0.57555683837365 0.20728331909220 0.05302827767656 15.999 > 7 57 O 0.07555683837365 0.20728331909220 0.38636161100989 15.999 > 7 58 O 0.57555683837365 0.20728331909220 0.38636161100989 15.999 > 7 59 O 0.07555683837365 0.20728331909220 0.71969494434323 15.999 > 7 60 O 0.57555683837365 0.20728331909220 0.71969494434323 15.999 > 7 61 O 0.32555683837365 0.29271668090780 0.21969494434323 15.999 > 13 62 O 0.82555683837365 0.29271668090780 0.21969494434323 15.999 > 13 63 O 0.32555683837365 0.29271668090780 0.55302827767656 15.999 > 13 64 O 0.82555683837365 0.29271668090780 0.55302827767656 15.999 > 13 65 O 0.32555683837365 0.29271668090780 0.88636161100989 15.999 > 13 66 O 0.82555683837365 0.29271668090780 0.88636161100989 15.999 > 13 67 O 0.17444316162635 0.29271668090780 0.28030505565677 15.999 > 19 68 O 0.67444316162635 0.29271668090780 0.28030505565677 15.999 > 19 69 O 0.17444316162635 0.29271668090780 0.61363838899011 15.999 > 19 70 O 0.67444316162635 0.29271668090780 0.61363838899011 15.999 > 19 71 O 0.17444316162635 0.29271668090780 0.94697172232344 15.999 > 19 72 O 0.67444316162635 0.29271668090780 0.94697172232344 15.999 > 19 73 O 0.11992399518108 0.03129376540114 0.23232126979972 15.999 > 25 74 O 0.61992399518108 0.03129376540114 0.23232126979972 15.999 > 25 75 O 0.11992399518108 0.03129376540114 0.56565460313305 15.999 > 25 76 O 0.61992399518108 0.03129376540114 0.56565460313305 15.999 > 25 77 O 0.11992399518108 0.03129376540114 0.89898793646639 15.999 > 25 78 O 0.61992399518108 0.03129376540114 0.89898793646639 15.999 > 25 79 O 0.38007600481892 0.03129376540114 0.26767873020028 15.999 > 31 80 O 0.88007600481892 0.03129376540114 0.26767873020028 15.999 > 31 81 O 0.38007600481892 0.03129376540114 0.60101206353361 15.999 > 31 82 O 0.88007600481892 0.03129376540114 0.60101206353361 15.999 > 31 83 O 0.38007600481892 0.03129376540114 0.93434539686695 15.999 > 31 84 O 0.88007600481892 0.03129376540114 0.93434539686695 15.999 > 31 85 O 0.13007600481892 0.46870623459886 0.10101206353361 15.999 > 37 86 O 0.63007600481892 0.46870623459886 0.10101206353361 15.999 > 37 87 O 0.13007600481892 0.46870623459886 0.43434539686695 15.999 > 37 88 O 0.63007600481892 0.46870623459886 0.43434539686695 15.999 > 37 89 O 0.13007600481892 0.46870623459886 0.76767873020028 15.999 > 37 90 O 0.63007600481892 0.46870623459886 0.76767873020028 15.999 > 37 91 O 0.36992399518108 0.46870623459886 0.06565460313305 15.999 > 43 92 O 0.86992399518108 0.46870623459886 0.06565460313305 15.999 > 43 93 O 0.36992399518108 0.46870623459886 0.39898793646639 15.999 > 43 94 O 0.86992399518108 0.46870623459886 0.39898793646639 15.999 > 43 95 O 0.36992399518108 0.46870623459886 0.73232126979972 15.999 > 43 96 O 0.86992399518108 0.46870623459886 0.73232126979972 15.999 > 43 97 Nb 0.00000000000000 0.89764675744137 0.25000000000000 92.906 > 97 98 Nb 0.50000000000000 0.89764675744137 0.25000000000000 92.906 > 97 99 Nb 0.00000000000000 0.89764675744137 0.58333333333333 92.906 > 97 100 Nb 0.50000000000000 0.89764675744137 0.58333333333333 92.906 > 97 101 Nb 0.00000000000000 0.89764675744137 0.91666666666667 92.906 > 97 102 Nb 0.50000000000000 0.89764675744137 0.91666666666667 92.906 > 97 103 Nb 0.25000000000000 0.60235324255863 0.08333333333333 92.906 > 103 104 Nb 0.75000000000000 0.60235324255863 0.08333333333333 92.906 > 103 105 Nb 0.25000000000000 0.60235324255863 0.41666666666667 92.906 > 103 106 Nb 0.75000000000000 0.60235324255863 0.41666666666667 92.906 > 103 107 Nb 0.25000000000000 0.60235324255863 0.75000000000000 92.906 > 103 108 Nb 0.75000000000000 0.60235324255863 0.75000000000000 92.906 > 103 109 Nb 0.25000000000000 0.39764675744137 0.25000000000000 92.906 > 97 110 Nb 0.75000000000000 0.39764675744137 0.25000000000000 92.906 > 97 111 Nb 0.25000000000000 0.39764675744137 0.58333333333333 92.906 > 97 112 Nb 0.75000000000000 0.39764675744137 0.58333333333333 92.906 > 97 113 Nb 0.25000000000000 0.39764675744137 0.91666666666667 92.906 > 97 114 Nb 0.75000000000000 0.39764675744137 0.91666666666667 92.906 > 97 115 Nb 0.00000000000000 0.10235324255863 0.08333333333333 92.906 > 103 116 Nb 0.50000000000000 0.10235324255863 0.08333333333333 92.906 > 103 117 Nb 0.00000000000000 0.10235324255863 0.41666666666667 92.906 > 103 118 Nb 0.50000000000000 0.10235324255863 0.41666666666667 92.906 > 103 119 Nb 0.00000000000000 0.10235324255863 0.75000000000000 92.906 > 103 120 Nb 0.50000000000000 0.10235324255863 0.75000000000000 92.906 > 103 121 Pr 0.25000000000000 0.87017759799543 0.25000000000000 140.908 > 121 122 Pr 0.75000000000000 0.87017759799543 0.25000000000000 140.908 > 121 123 Pr 0.25000000000000 0.87017759799543 0.58333333333333 140.908 > 121 124 Pr 0.75000000000000 0.87017759799543 0.58333333333333 140.908 > 121 125 Pr 0.25000000000000 0.87017759799543 0.91666666666667 140.908 > 121 126 Pr 0.75000000000000 0.87017759799543 0.91666666666667 140.908 > 121 127 Pr 0.00000000000000 0.62982240200457 0.08333333333333 140.908 > 127 128 Pr 0.50000000000000 0.62982240200457 0.08333333333333 140.908 > 127 129 Pr 0.00000000000000 0.62982240200457 0.41666666666667 140.908 > 127 130 Pr 0.50000000000000 0.62982240200457 0.41666666666667 140.908 > 127 131 Pr 0.00000000000000 0.62982240200457 0.75000000000000 140.908 > 127 132 Pr 0.50000000000000 0.62982240200457 0.75000000000000 140.908 > 127 133 Pr 0.00000000000000 0.37017759799543 0.25000000000000 140.908 > 121 134 Pr 0.50000000000000 0.37017759799543 0.25000000000000 140.908 > 121 135 Pr 0.00000000000000 0.37017759799543 0.58333333333333 140.908 > 121 136 Pr 0.50000000000000 0.37017759799543 0.58333333333333 140.908 > 121 137 Pr 0.00000000000000 0.37017759799543 0.91666666666667 140.908 > 121 138 Pr 0.50000000000000 0.37017759799543 0.91666666666667 140.908 > 121 139 Pr 0.25000000000000 0.12982240200457 0.08333333333333 140.908 > 127 140 Pr 0.75000000000000 0.12982240200457 0.08333333333333 140.908 > 127 141 Pr 0.25000000000000 0.12982240200457 0.41666666666667 140.908 > 127 142 Pr 0.75000000000000 0.12982240200457 0.41666666666667 140.908 > 127 143 Pr 0.25000000000000 0.12982240200457 0.75000000000000 140.908 > 127 144 Pr 0.75000000000000 0.12982240200457 0.75000000000000 140.908 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1256324 0.0000000 -0.2710227 0.0000000 4.7534651 0.0000000 -0.2710379 0.0000000 5.0249133 -------------------------- Born effective charges -------------------------- 1 O -3.3619005 1.0842734 0.4198566 1.0104447 -2.5747137 -0.6517462 0.4614606 -0.5905160 -1.4616131 2 O -3.3619005 -1.0842734 0.4198566 -1.0104447 -2.5747137 0.6517462 0.4614606 0.5905160 -1.4616131 3 O -3.3619005 1.0842734 0.4198566 1.0104447 -2.5747137 -0.6517462 0.4614606 -0.5905160 -1.4616131 4 O -3.3619005 -1.0842734 0.4198566 -1.0104447 -2.5747137 0.6517462 0.4614606 0.5905160 -1.4616131 5 O -1.8143352 -0.0767483 -0.0265326 0.0097553 -2.0864245 0.6433831 -0.0598179 0.6873616 -3.5606755 6 O -1.8143352 0.0767483 -0.0265326 -0.0097553 -2.0864245 -0.6433831 -0.0598179 -0.6873616 -3.5606755 7 O -1.8143352 -0.0767483 -0.0265326 0.0097553 -2.0864245 0.6433831 -0.0598179 0.6873616 -3.5606755 8 O -1.8143352 0.0767483 -0.0265326 -0.0097553 -2.0864245 -0.6433831 -0.0598179 -0.6873616 -3.5606755 9 Nb 5.6131306 0.0000000 -0.7519620 0.0000000 5.1992145 0.0000000 -1.3086111 0.0000000 5.4771579 10 Nb 5.6131306 0.0000000 -0.7519620 0.0000000 5.1992145 0.0000000 -1.3086111 0.0000000 5.4771579 11 Pr 4.7393407 0.0000000 -0.0346859 0.0000000 4.1230618 0.0000000 0.5053256 0.0000000 4.5674191 12 Pr 4.7393407 0.0000000 -0.0346859 0.0000000 4.1230618 0.0000000 0.5053256 0.0000000 4.5674191 ---------------------------------------------------------------------------- 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 97, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Computing fc3[ 121, 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] [-0.0065 0.0000 0.0076] [ 0.0065 0.0000 -0.0076] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:23:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:23:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 3] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.618365255224925 -5.675622330000001 0.000000000000000 b 3.618365255224925 5.675622330000001 0.000000000000000 c -3.374475000550935 0.000000000000000 3.922817245852184 Atomic positions (fractional): 1 O 0.64160300416049 0.05616964234489 0.34091516697032 15.999 2 O 0.94383035765511 0.35839699583951 0.15908483302968 15.999 3 O 0.35839699583951 0.94383035765511 0.65908483302968 15.999 4 O 0.05616964234489 0.64160300416049 0.84091516697032 15.999 5 O 0.20855422496101 0.27114175576330 0.69696380939916 15.999 6 O 0.72885824423670 0.79144577503899 0.80303619060084 15.999 7 O 0.79144577503899 0.72885824423670 0.30303619060084 15.999 8 O 0.27114175576330 0.20855422496101 0.19696380939916 15.999 9 Nb 0.10235324255863 0.89764675744137 0.75000000000000 92.906 10 Nb 0.89764675744137 0.10235324255863 0.25000000000000 92.906 11 Pr 0.62982240200457 0.37017759799543 0.75000000000000 140.908 12 Pr 0.37017759799543 0.62982240200457 0.25000000000000 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.473461020899700 0.000000000000000 0.000000000000000 b 0.000000000000000 11.351244660000003 0.000000000000000 c -10.123425001652805 0.000000000000000 11.768451737556553 Atomic positions (fractional): 1 O 0.17444316162635 0.70728331909220 0.11363838899011 15.999 > 1 2 O 0.67444316162635 0.70728331909220 0.11363838899011 15.999 > 1 3 O 0.17444316162635 0.70728331909220 0.44697172232344 15.999 > 1 4 O 0.67444316162635 0.70728331909220 0.44697172232344 15.999 > 1 5 O 0.17444316162635 0.70728331909220 0.78030505565677 15.999 > 1 6 O 0.67444316162635 0.70728331909220 0.78030505565677 15.999 > 1 7 O 0.32555683837365 0.70728331909220 0.05302827767656 15.999 > 7 8 O 0.82555683837365 0.70728331909220 0.05302827767656 15.999 > 7 9 O 0.32555683837365 0.70728331909220 0.38636161100989 15.999 > 7 10 O 0.82555683837365 0.70728331909220 0.38636161100989 15.999 > 7 11 O 0.32555683837365 0.70728331909220 0.71969494434323 15.999 > 7 12 O 0.82555683837365 0.70728331909220 0.71969494434323 15.999 > 7 13 O 0.07555683837365 0.79271668090780 0.21969494434323 15.999 > 13 14 O 0.57555683837365 0.79271668090780 0.21969494434323 15.999 > 13 15 O 0.07555683837365 0.79271668090780 0.55302827767656 15.999 > 13 16 O 0.57555683837365 0.79271668090780 0.55302827767656 15.999 > 13 17 O 0.07555683837365 0.79271668090780 0.88636161100989 15.999 > 13 18 O 0.57555683837365 0.79271668090780 0.88636161100989 15.999 > 13 19 O 0.42444316162635 0.79271668090780 0.28030505565677 15.999 > 19 20 O 0.92444316162635 0.79271668090780 0.28030505565677 15.999 > 19 21 O 0.42444316162635 0.79271668090780 0.61363838899011 15.999 > 19 22 O 0.92444316162635 0.79271668090780 0.61363838899011 15.999 > 19 23 O 0.42444316162635 0.79271668090780 0.94697172232344 15.999 > 19 24 O 0.92444316162635 0.79271668090780 0.94697172232344 15.999 > 19 25 O 0.36992399518108 0.53129376540114 0.23232126979972 15.999 > 25 26 O 0.86992399518108 0.53129376540114 0.23232126979972 15.999 > 25 27 O 0.36992399518108 0.53129376540114 0.56565460313305 15.999 > 25 28 O 0.86992399518108 0.53129376540114 0.56565460313305 15.999 > 25 29 O 0.36992399518108 0.53129376540114 0.89898793646639 15.999 > 25 30 O 0.86992399518108 0.53129376540114 0.89898793646639 15.999 > 25 31 O 0.13007600481892 0.53129376540114 0.26767873020028 15.999 > 31 32 O 0.63007600481892 0.53129376540114 0.26767873020028 15.999 > 31 33 O 0.13007600481892 0.53129376540114 0.60101206353361 15.999 > 31 34 O 0.63007600481892 0.53129376540114 0.60101206353361 15.999 > 31 35 O 0.13007600481892 0.53129376540114 0.93434539686695 15.999 > 31 36 O 0.63007600481892 0.53129376540114 0.93434539686695 15.999 > 31 37 O 0.38007600481892 0.96870623459886 0.10101206353361 15.999 > 37 38 O 0.88007600481892 0.96870623459886 0.10101206353361 15.999 > 37 39 O 0.38007600481892 0.96870623459886 0.43434539686695 15.999 > 37 40 O 0.88007600481892 0.96870623459886 0.43434539686695 15.999 > 37 41 O 0.38007600481892 0.96870623459886 0.76767873020028 15.999 > 37 42 O 0.88007600481892 0.96870623459886 0.76767873020028 15.999 > 37 43 O 0.11992399518108 0.96870623459886 0.06565460313305 15.999 > 43 44 O 0.61992399518108 0.96870623459886 0.06565460313305 15.999 > 43 45 O 0.11992399518108 0.96870623459886 0.39898793646639 15.999 > 43 46 O 0.61992399518108 0.96870623459886 0.39898793646639 15.999 > 43 47 O 0.11992399518108 0.96870623459886 0.73232126979972 15.999 > 43 48 O 0.61992399518108 0.96870623459886 0.73232126979972 15.999 > 43 49 O 0.42444316162635 0.20728331909220 0.11363838899011 15.999 > 1 50 O 0.92444316162635 0.20728331909220 0.11363838899011 15.999 > 1 51 O 0.42444316162635 0.20728331909220 0.44697172232344 15.999 > 1 52 O 0.92444316162635 0.20728331909220 0.44697172232344 15.999 > 1 53 O 0.42444316162635 0.20728331909220 0.78030505565677 15.999 > 1 54 O 0.92444316162635 0.20728331909220 0.78030505565677 15.999 > 1 55 O 0.07555683837365 0.20728331909220 0.05302827767656 15.999 > 7 56 O 0.57555683837365 0.20728331909220 0.05302827767656 15.999 > 7 57 O 0.07555683837365 0.20728331909220 0.38636161100989 15.999 > 7 58 O 0.57555683837365 0.20728331909220 0.38636161100989 15.999 > 7 59 O 0.07555683837365 0.20728331909220 0.71969494434323 15.999 > 7 60 O 0.57555683837365 0.20728331909220 0.71969494434323 15.999 > 7 61 O 0.32555683837365 0.29271668090780 0.21969494434323 15.999 > 13 62 O 0.82555683837365 0.29271668090780 0.21969494434323 15.999 > 13 63 O 0.32555683837365 0.29271668090780 0.55302827767656 15.999 > 13 64 O 0.82555683837365 0.29271668090780 0.55302827767656 15.999 > 13 65 O 0.32555683837365 0.29271668090780 0.88636161100989 15.999 > 13 66 O 0.82555683837365 0.29271668090780 0.88636161100989 15.999 > 13 67 O 0.17444316162635 0.29271668090780 0.28030505565677 15.999 > 19 68 O 0.67444316162635 0.29271668090780 0.28030505565677 15.999 > 19 69 O 0.17444316162635 0.29271668090780 0.61363838899011 15.999 > 19 70 O 0.67444316162635 0.29271668090780 0.61363838899011 15.999 > 19 71 O 0.17444316162635 0.29271668090780 0.94697172232344 15.999 > 19 72 O 0.67444316162635 0.29271668090780 0.94697172232344 15.999 > 19 73 O 0.11992399518108 0.03129376540114 0.23232126979972 15.999 > 25 74 O 0.61992399518108 0.03129376540114 0.23232126979972 15.999 > 25 75 O 0.11992399518108 0.03129376540114 0.56565460313305 15.999 > 25 76 O 0.61992399518108 0.03129376540114 0.56565460313305 15.999 > 25 77 O 0.11992399518108 0.03129376540114 0.89898793646639 15.999 > 25 78 O 0.61992399518108 0.03129376540114 0.89898793646639 15.999 > 25 79 O 0.38007600481892 0.03129376540114 0.26767873020028 15.999 > 31 80 O 0.88007600481892 0.03129376540114 0.26767873020028 15.999 > 31 81 O 0.38007600481892 0.03129376540114 0.60101206353361 15.999 > 31 82 O 0.88007600481892 0.03129376540114 0.60101206353361 15.999 > 31 83 O 0.38007600481892 0.03129376540114 0.93434539686695 15.999 > 31 84 O 0.88007600481892 0.03129376540114 0.93434539686695 15.999 > 31 85 O 0.13007600481892 0.46870623459886 0.10101206353361 15.999 > 37 86 O 0.63007600481892 0.46870623459886 0.10101206353361 15.999 > 37 87 O 0.13007600481892 0.46870623459886 0.43434539686695 15.999 > 37 88 O 0.63007600481892 0.46870623459886 0.43434539686695 15.999 > 37 89 O 0.13007600481892 0.46870623459886 0.76767873020028 15.999 > 37 90 O 0.63007600481892 0.46870623459886 0.76767873020028 15.999 > 37 91 O 0.36992399518108 0.46870623459886 0.06565460313305 15.999 > 43 92 O 0.86992399518108 0.46870623459886 0.06565460313305 15.999 > 43 93 O 0.36992399518108 0.46870623459886 0.39898793646639 15.999 > 43 94 O 0.86992399518108 0.46870623459886 0.39898793646639 15.999 > 43 95 O 0.36992399518108 0.46870623459886 0.73232126979972 15.999 > 43 96 O 0.86992399518108 0.46870623459886 0.73232126979972 15.999 > 43 97 Nb 0.00000000000000 0.89764675744137 0.25000000000000 92.906 > 97 98 Nb 0.50000000000000 0.89764675744137 0.25000000000000 92.906 > 97 99 Nb 0.00000000000000 0.89764675744137 0.58333333333333 92.906 > 97 100 Nb 0.50000000000000 0.89764675744137 0.58333333333333 92.906 > 97 101 Nb 0.00000000000000 0.89764675744137 0.91666666666667 92.906 > 97 102 Nb 0.50000000000000 0.89764675744137 0.91666666666667 92.906 > 97 103 Nb 0.25000000000000 0.60235324255863 0.08333333333333 92.906 > 103 104 Nb 0.75000000000000 0.60235324255863 0.08333333333333 92.906 > 103 105 Nb 0.25000000000000 0.60235324255863 0.41666666666667 92.906 > 103 106 Nb 0.75000000000000 0.60235324255863 0.41666666666667 92.906 > 103 107 Nb 0.25000000000000 0.60235324255863 0.75000000000000 92.906 > 103 108 Nb 0.75000000000000 0.60235324255863 0.75000000000000 92.906 > 103 109 Nb 0.25000000000000 0.39764675744137 0.25000000000000 92.906 > 97 110 Nb 0.75000000000000 0.39764675744137 0.25000000000000 92.906 > 97 111 Nb 0.25000000000000 0.39764675744137 0.58333333333333 92.906 > 97 112 Nb 0.75000000000000 0.39764675744137 0.58333333333333 92.906 > 97 113 Nb 0.25000000000000 0.39764675744137 0.91666666666667 92.906 > 97 114 Nb 0.75000000000000 0.39764675744137 0.91666666666667 92.906 > 97 115 Nb 0.00000000000000 0.10235324255863 0.08333333333333 92.906 > 103 116 Nb 0.50000000000000 0.10235324255863 0.08333333333333 92.906 > 103 117 Nb 0.00000000000000 0.10235324255863 0.41666666666667 92.906 > 103 118 Nb 0.50000000000000 0.10235324255863 0.41666666666667 92.906 > 103 119 Nb 0.00000000000000 0.10235324255863 0.75000000000000 92.906 > 103 120 Nb 0.50000000000000 0.10235324255863 0.75000000000000 92.906 > 103 121 Pr 0.25000000000000 0.87017759799543 0.25000000000000 140.908 > 121 122 Pr 0.75000000000000 0.87017759799543 0.25000000000000 140.908 > 121 123 Pr 0.25000000000000 0.87017759799543 0.58333333333333 140.908 > 121 124 Pr 0.75000000000000 0.87017759799543 0.58333333333333 140.908 > 121 125 Pr 0.25000000000000 0.87017759799543 0.91666666666667 140.908 > 121 126 Pr 0.75000000000000 0.87017759799543 0.91666666666667 140.908 > 121 127 Pr 0.00000000000000 0.62982240200457 0.08333333333333 140.908 > 127 128 Pr 0.50000000000000 0.62982240200457 0.08333333333333 140.908 > 127 129 Pr 0.00000000000000 0.62982240200457 0.41666666666667 140.908 > 127 130 Pr 0.50000000000000 0.62982240200457 0.41666666666667 140.908 > 127 131 Pr 0.00000000000000 0.62982240200457 0.75000000000000 140.908 > 127 132 Pr 0.50000000000000 0.62982240200457 0.75000000000000 140.908 > 127 133 Pr 0.00000000000000 0.37017759799543 0.25000000000000 140.908 > 121 134 Pr 0.50000000000000 0.37017759799543 0.25000000000000 140.908 > 121 135 Pr 0.00000000000000 0.37017759799543 0.58333333333333 140.908 > 121 136 Pr 0.50000000000000 0.37017759799543 0.58333333333333 140.908 > 121 137 Pr 0.00000000000000 0.37017759799543 0.91666666666667 140.908 > 121 138 Pr 0.50000000000000 0.37017759799543 0.91666666666667 140.908 > 121 139 Pr 0.25000000000000 0.12982240200457 0.08333333333333 140.908 > 127 140 Pr 0.75000000000000 0.12982240200457 0.08333333333333 140.908 > 127 141 Pr 0.25000000000000 0.12982240200457 0.41666666666667 140.908 > 127 142 Pr 0.75000000000000 0.12982240200457 0.41666666666667 140.908 > 127 143 Pr 0.25000000000000 0.12982240200457 0.75000000000000 140.908 > 127 144 Pr 0.75000000000000 0.12982240200457 0.75000000000000 140.908 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1256324 0.0000000 -0.2710227 0.0000000 4.7534651 0.0000000 -0.2710379 0.0000000 5.0249133 -------------------------- Born effective charges -------------------------- 1 O -3.3619005 1.0842734 0.4198566 1.0104447 -2.5747137 -0.6517462 0.4614606 -0.5905160 -1.4616131 2 O -3.3619005 -1.0842734 0.4198566 -1.0104447 -2.5747137 0.6517462 0.4614606 0.5905160 -1.4616131 3 O -3.3619005 1.0842734 0.4198566 1.0104447 -2.5747137 -0.6517462 0.4614606 -0.5905160 -1.4616131 4 O -3.3619005 -1.0842734 0.4198566 -1.0104447 -2.5747137 0.6517462 0.4614606 0.5905160 -1.4616131 5 O -1.8143352 -0.0767483 -0.0265326 0.0097553 -2.0864245 0.6433831 -0.0598179 0.6873616 -3.5606755 6 O -1.8143352 0.0767483 -0.0265326 -0.0097553 -2.0864245 -0.6433831 -0.0598179 -0.6873616 -3.5606755 7 O -1.8143352 -0.0767483 -0.0265326 0.0097553 -2.0864245 0.6433831 -0.0598179 0.6873616 -3.5606755 8 O -1.8143352 0.0767483 -0.0265326 -0.0097553 -2.0864245 -0.6433831 -0.0598179 -0.6873616 -3.5606755 9 Nb 5.6131306 0.0000000 -0.7519620 0.0000000 5.1992145 0.0000000 -1.3086111 0.0000000 5.4771579 10 Nb 5.6131306 0.0000000 -0.7519620 0.0000000 5.1992145 0.0000000 -1.3086111 0.0000000 5.4771579 11 Pr 4.7393407 0.0000000 -0.0346859 0.0000000 4.1230618 0.0000000 0.5053256 0.0000000 4.5674191 12 Pr 4.7393407 0.0000000 -0.0346859 0.0000000 4.1230618 0.0000000 0.5053256 0.0000000 4.5674191 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 13 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.76, Number of G-points: 299, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/361) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 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 3.497 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.893 ( 0.000 0.000 0.000) 0.000 4.917 ( 0.000 0.000 0.000) 0.000 5.030 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 7.190 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 9.556 ( 0.000 0.000 0.000) 0.000 9.618 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 10.324 ( 0.000 0.000 0.000) 0.000 10.830 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 0.000 0.000) 0.000 12.934 ( 0.000 0.000 0.000) 0.000 15.062 ( 0.000 0.000 0.000) 0.000 17.139 ( 0.000 0.000 0.000) 0.000 18.618 ( 0.000 0.000 0.000) 0.000 18.834 ( 0.000 0.000 0.000) 0.000 19.472 ( 0.000 0.000 0.000) 0.000 19.493 ( 0.000 0.000 0.000) 0.000 20.292 ( 0.000 0.000 0.000) 0.000 22.961 ( 0.000 0.000 0.000) 0.000 23.652 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/361) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 10.570 -13.612 21.347) 27.436 0.678 ( 9.680 -26.072 25.873) 37.985 1.259 ( 47.005 -14.571 38.369) 62.402 3.426 ( 0.609 0.576 -9.953) 9.988 3.534 ( 7.673 2.039 -2.641) 8.367 3.860 ( 1.742 3.997 1.349) 4.564 3.899 ( 12.230 0.635 -1.927) 12.397 4.910 ( -0.092 0.429 -2.542) 2.579 5.370 ( -0.682 10.144 -1.344) 10.256 5.431 ( -6.120 2.520 -0.170) 6.620 5.512 ( 11.463 4.456 -13.177) 18.024 5.632 ( 3.859 3.288 6.462) 8.213 6.103 ( -2.023 4.033 -6.932) 8.271 6.521 ( 6.228 24.579 1.356) 25.392 6.974 ( 16.813 7.593 5.627) 19.287 7.578 ( -4.779 -11.094 -9.703) 15.494 7.730 ( -12.993 -42.506 -19.696) 48.616 8.756 ( 1.337 5.539 5.904) 8.206 9.528 ( -1.134 1.697 -2.028) 2.878 9.597 ( -2.533 -5.670 -4.162) 7.476 10.263 ( 3.016 10.873 -3.061) 11.692 10.782 ( 47.453 11.377 -35.159) 60.145 10.943 ( -15.217 15.266 36.669) 42.535 11.768 ( 1.378 -0.234 0.240) 1.419 12.183 ( 2.309 -5.090 -3.855) 6.790 12.790 ( -10.405 -39.426 -16.807) 44.104 12.907 ( -3.405 -1.816 -1.855) 4.282 14.973 ( -6.622 0.400 -8.952) 11.142 18.024 ( -33.844 41.369 74.900) 92.015 18.791 ( -8.833 -2.389 1.522) 9.276 18.877 ( -31.838 -28.604 11.516) 44.322 19.469 ( -3.496 -3.494 -0.089) 4.943 20.342 ( 4.814 0.374 3.943) 6.234 22.395 ( 52.702 56.981 -16.820) 79.418 23.513 ( -1.760 -47.392 -36.245) 59.689 23.672 ( 1.820 -0.033 0.723) 1.959 ======================= Grid point 2 (3/361) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 8.363 -13.902 21.591) 27.007 1.339 ( 10.953 -23.199 24.736) 35.638 2.438 ( 42.829 -12.320 33.903) 55.996 3.376 ( 3.832 0.124 -3.600) 5.259 3.568 ( 7.825 6.148 -5.660) 11.449 3.868 ( -0.032 2.222 6.854) 7.205 4.031 ( 6.386 3.905 3.932) 8.455 4.826 ( -1.527 3.776 -7.087) 8.175 5.225 ( 0.417 10.967 -7.589) 13.344 5.320 ( -2.613 4.441 -2.487) 5.721 5.464 ( 2.062 0.102 -5.854) 6.208 5.730 ( -1.387 0.322 7.858) 7.986 6.000 ( 3.179 0.006 -4.453) 5.471 6.444 ( 2.644 10.886 0.331) 11.208 7.088 ( 5.291 6.392 -3.890) 9.164 7.444 ( -2.591 0.108 -10.750) 11.058 7.768 ( -8.879 -32.147 -3.493) 33.533 8.782 ( 0.638 9.756 6.933) 11.986 9.445 ( -4.417 1.168 -3.246) 5.604 9.576 ( 1.078 -4.392 -3.920) 5.985 10.187 ( 1.527 4.512 -2.752) 5.501 10.937 ( 24.092 1.300 -14.293) 28.043 11.035 ( -10.799 3.225 22.170) 24.870 11.812 ( 3.254 -0.846 1.056) 3.524 12.236 ( 4.611 -10.849 -7.154) 13.789 12.788 ( -2.728 -1.301 -1.569) 3.406 12.840 ( -7.210 -7.747 -0.601) 10.600 14.695 ( -10.458 3.651 -13.838) 17.725 18.095 ( -12.952 16.624 33.230) 39.349 18.674 ( -8.756 1.506 -0.052) 8.885 18.823 ( -11.598 -11.328 1.258) 16.261 19.404 ( -6.549 -1.913 -3.689) 7.756 20.522 ( 8.542 -2.437 8.565) 12.339 22.422 ( 27.725 25.857 -11.279) 39.553 23.472 ( -3.242 -22.558 -16.262) 27.997 23.708 ( 0.947 1.187 2.597) 3.009 ======================= Grid point 3 (4/361) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 5.275 -13.008 19.557) 24.073 1.978 ( 13.051 -19.151 23.456) 32.974 3.355 ( 2.930 0.580 15.991) 16.268 3.431 ( 32.451 -2.185 2.592) 32.628 3.518 ( 4.422 6.547 -4.105) 8.903 3.962 ( 3.735 2.686 4.549) 6.470 4.154 ( 5.685 1.188 9.512) 11.145 4.674 ( 1.924 2.025 -9.572) 9.971 4.997 ( -3.161 10.173 -10.711) 15.107 5.232 ( -3.523 4.458 0.564) 5.710 5.439 ( -1.774 -2.355 0.020) 2.949 5.774 ( -0.195 -0.989 2.964) 3.130 6.100 ( 5.672 -4.245 4.469) 8.376 6.385 ( 1.840 8.144 -2.560) 8.733 6.941 ( -3.573 7.933 -9.254) 12.701 7.289 ( -1.137 0.339 -9.565) 9.638 7.914 ( -6.664 -25.769 0.710) 26.626 8.763 ( 0.054 11.725 5.229) 12.838 9.321 ( -5.228 1.097 -4.115) 6.743 9.622 ( 5.915 0.944 0.535) 6.014 10.174 ( 0.241 -7.407 -2.845) 7.938 10.970 ( -1.720 11.365 2.722) 11.812 11.190 ( 8.031 -8.206 3.089) 11.890 11.891 ( 4.103 -1.273 1.617) 4.590 12.318 ( 3.532 -13.874 -8.130) 16.464 12.654 ( -6.435 4.173 -4.545) 8.915 12.901 ( -0.349 -0.638 11.476) 11.499 14.317 ( -12.041 4.318 -16.505) 20.882 18.127 ( -6.916 7.001 11.462) 15.107 18.579 ( -6.258 3.192 7.437) 10.231 18.790 ( -3.539 -4.342 -0.950) 5.681 19.244 ( -7.570 -0.157 -7.390) 10.580 20.784 ( 7.980 -4.021 9.422) 12.986 22.430 ( 17.080 14.294 -9.729) 24.304 23.443 ( -2.290 -13.169 -8.336) 15.753 23.734 ( -0.335 1.567 3.014) 3.413 ======================= Grid point 4 (5/361) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 2.525 -8.866 12.839) 15.806 2.580 ( 13.706 -13.835 20.707) 28.426 3.303 ( -4.370 2.815 -1.249) 5.346 3.422 ( 0.631 6.230 -4.198) 7.539 3.824 ( 2.352 9.275 -7.311) 12.042 4.030 ( 17.860 2.096 2.157) 18.112 4.396 ( 3.428 -6.393 12.136) 14.138 4.732 ( 1.853 6.518 -2.261) 7.143 4.748 ( 2.652 -3.479 -6.941) 8.204 5.176 ( -1.770 5.329 7.269) 9.185 5.469 ( -1.300 -6.516 2.731) 7.184 5.825 ( 1.206 -0.765 2.883) 3.217 6.238 ( 2.364 14.263 -6.993) 16.060 6.278 ( -1.945 -11.049 2.467) 11.487 6.709 ( -3.613 6.710 -7.061) 10.389 7.196 ( 0.229 0.061 -4.528) 4.535 8.022 ( -5.232 -16.545 -0.403) 17.357 8.717 ( 0.380 9.227 2.937) 9.691 9.203 ( -3.431 1.105 -3.147) 4.785 9.705 ( 5.578 4.204 2.308) 7.357 10.275 ( 2.508 -16.766 -0.972) 16.980 10.801 ( -7.526 14.464 0.278) 16.307 11.418 ( 9.752 -6.955 1.536) 12.076 11.969 ( 2.790 -0.848 1.140) 3.131 12.333 ( -5.758 -5.675 -3.968) 9.005 12.495 ( -0.869 1.602 -5.047) 5.366 13.104 ( 5.273 -0.259 15.162) 16.055 13.920 ( -11.049 3.721 -16.298) 20.038 18.068 ( -3.579 2.718 0.291) 4.503 18.626 ( -5.926 -0.513 14.773) 15.925 18.773 ( 4.276 3.562 -3.832) 6.757 19.052 ( -6.671 -1.880 -8.335) 10.840 20.996 ( 4.278 -2.626 5.898) 7.745 22.417 ( 8.513 6.764 -6.176) 12.505 23.443 ( -0.673 -6.767 -3.431) 7.617 23.742 ( -0.825 1.276 1.949) 2.471 ======================= Grid point 5 (6/361) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 326 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 0.000 -0.000 0.000) 0.000 2.966 ( 0.000 -0.000 -0.000) 0.000 3.200 ( 0.000 -0.000 0.000) 0.000 3.363 ( 0.000 -0.000 0.000) 0.000 3.655 ( 0.000 -0.000 0.000) 0.000 4.218 ( 0.000 -0.000 0.000) 0.000 4.494 ( 0.000 -0.000 0.000) 0.000 4.669 ( 0.000 0.000 -0.000) 0.000 4.749 ( 0.000 -0.000 0.000) 0.000 5.238 ( 0.000 -0.000 0.000) 0.000 5.557 ( 0.000 -0.000 0.000) 0.000 5.892 ( 0.000 -0.000 0.000) 0.000 6.020 ( 0.000 -0.000 0.000) 0.000 6.362 ( 0.000 -0.000 0.000) 0.000 6.606 ( 0.000 -0.000 0.000) 0.000 7.175 ( 0.000 -0.000 0.000) 0.000 8.055 ( 0.000 -0.000 0.000) 0.000 8.695 ( 0.000 -0.000 0.000) 0.000 9.152 ( 0.000 -0.000 0.000) 0.000 9.739 ( 0.000 0.000 0.000) 0.000 10.448 ( 0.000 -0.000 0.000) 0.000 10.600 ( 0.000 -0.000 0.000) 0.000 11.548 ( 0.000 -0.000 0.000) 0.000 11.999 ( 0.000 -0.000 0.000) 0.000 12.253 ( 0.000 -0.000 0.000) 0.000 12.471 ( 0.000 -0.000 0.000) 0.000 13.306 ( 0.000 -0.000 0.000) 0.000 13.657 ( 0.000 -0.000 0.000) 0.000 18.028 ( 0.000 -0.000 0.000) 0.000 18.721 ( -0.000 -0.000 0.000) 0.000 18.738 ( 0.000 0.000 -0.000) 0.000 18.947 ( 0.000 0.000 0.000) 0.000 21.073 ( 0.000 -0.000 0.000) 0.000 22.408 ( 0.000 -0.000 0.000) 0.000 23.450 ( 0.000 -0.000 0.000) 0.000 23.741 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/361) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -2.611 0.000 41.103) 41.186 1.019 ( 21.145 -0.000 20.644) 29.552 2.333 ( 47.739 -0.000 35.645) 59.578 3.378 ( 6.152 -0.000 -4.394) 7.560 3.624 ( 8.456 -0.000 -5.797) 10.252 3.887 ( -1.905 0.000 6.362) 6.641 4.065 ( 5.428 -0.000 4.177) 6.849 4.857 ( -3.439 0.000 -4.500) 5.664 5.342 ( -4.645 0.000 -1.799) 4.981 5.366 ( -1.625 0.000 -2.449) 2.939 5.444 ( 5.958 -0.000 -18.927) 19.842 5.751 ( 0.324 -0.000 9.628) 9.633 5.958 ( -6.318 0.000 -5.678) 8.494 6.702 ( 9.510 -0.000 -8.912) 13.033 7.162 ( 5.289 -0.000 -7.972) 9.567 7.312 ( -3.885 0.000 9.742) 10.488 7.449 ( -6.374 0.000 -8.477) 10.606 8.872 ( 1.285 -0.000 5.631) 5.775 9.434 ( -7.221 0.000 -2.442) 7.623 9.542 ( 5.096 -0.000 -4.930) 7.090 10.241 ( -3.587 0.000 -2.984) 4.666 10.903 ( 19.263 -0.000 -12.185) 22.794 11.201 ( -3.974 0.000 12.365) 12.988 11.804 ( 2.831 -0.000 1.203) 3.076 12.057 ( 4.369 -0.000 -11.135) 11.961 12.699 ( 1.976 -0.000 11.650) 11.817 12.831 ( -4.684 0.000 -3.003) 5.564 14.725 ( -11.114 0.000 -13.297) 17.330 18.330 ( -37.618 0.000 44.497) 58.268 18.557 ( -6.363 0.000 -2.799) 6.951 18.779 ( 5.907 -0.000 -5.169) 7.849 19.385 ( -5.862 0.000 -1.397) 6.026 20.503 ( 6.358 -0.000 10.043) 11.886 22.888 ( 23.154 -0.000 -36.063) 42.856 23.036 ( 3.032 -0.000 1.705) 3.479 23.721 ( 1.602 -0.000 2.605) 3.058 ======================= Grid point 13 (8/361) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 1.323 1.681 33.636) 33.704 1.648 ( 16.144 -15.486 24.858) 33.441 3.327 ( 33.946 -1.378 28.472) 44.327 3.471 ( 14.875 3.334 -3.479) 15.635 3.602 ( 0.544 1.953 -4.705) 5.123 3.974 ( 4.586 0.180 3.056) 5.514 4.162 ( 1.311 -0.424 7.407) 7.534 4.696 ( -6.784 0.657 -8.380) 10.802 5.175 ( 0.894 9.059 -17.672) 19.878 5.286 ( -4.214 1.759 1.035) 4.682 5.360 ( -0.613 -6.385 -6.347) 9.024 5.805 ( -2.167 4.569 3.921) 6.399 5.948 ( -0.532 -9.119 7.070) 11.551 6.662 ( 7.960 16.500 -3.935) 18.738 7.063 ( -1.617 5.441 -9.079) 10.707 7.276 ( -3.829 -1.150 -8.451) 9.349 7.453 ( -7.335 -22.454 6.418) 24.478 8.917 ( -0.093 4.919 4.190) 6.462 9.309 ( -7.370 -1.385 -2.712) 7.974 9.614 ( 10.452 -0.577 -1.052) 10.521 10.133 ( -4.085 0.064 -4.927) 6.400 11.071 ( 17.944 -3.130 -5.705) 19.087 11.223 ( -7.667 12.285 14.563) 20.537 11.869 ( 2.714 -1.274 2.117) 3.671 12.057 ( 6.242 -12.287 -11.485) 17.939 12.703 ( -6.659 1.418 -4.120) 7.957 12.885 ( 2.437 -0.695 13.236) 13.476 14.365 ( -13.564 1.242 -16.475) 21.376 18.274 ( -13.060 9.514 12.754) 20.585 18.468 ( -16.739 -10.757 8.531) 21.649 18.831 ( 13.470 3.682 -6.952) 15.599 19.252 ( -8.042 0.538 -4.818) 9.391 20.745 ( 6.446 -0.820 13.777) 15.233 22.689 ( 13.627 13.316 -20.949) 28.317 23.177 ( 2.122 -14.063 -3.134) 14.563 23.766 ( 0.247 1.227 3.529) 3.745 ======================= Grid point 14 (9/361) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 1.916 0.636 26.655) 26.731 2.297 ( 14.934 -16.362 23.557) 32.337 3.398 ( -6.648 6.889 -2.367) 9.862 3.540 ( -1.808 6.106 -1.101) 6.462 3.940 ( 22.733 3.437 -6.433) 23.874 4.051 ( 5.594 -0.567 -0.429) 5.639 4.318 ( 0.407 -0.518 11.971) 11.989 4.611 ( 6.181 -9.249 -3.783) 11.750 4.878 ( -2.503 7.766 -14.346) 16.504 5.249 ( -2.948 2.632 4.736) 6.168 5.345 ( -3.421 -6.844 0.505) 7.668 5.821 ( 0.387 0.155 3.909) 3.931 6.117 ( -0.104 -6.525 6.867) 9.473 6.511 ( -1.989 14.505 -5.998) 15.822 6.865 ( -0.578 11.779 -5.801) 13.142 7.175 ( -2.907 -2.024 -2.954) 4.612 7.633 ( -4.010 -24.996 2.041) 25.397 8.889 ( -1.126 8.362 2.586) 8.825 9.197 ( -5.501 -1.460 -2.572) 6.245 9.778 ( 10.304 3.557 1.137) 10.960 10.060 ( 0.223 -7.944 -3.728) 8.778 11.110 ( -4.145 19.249 4.853) 20.280 11.311 ( 12.500 -4.705 2.909) 13.669 11.944 ( 1.111 -2.637 2.583) 3.855 12.142 ( 4.228 -13.398 -7.171) 15.774 12.536 ( -6.508 2.154 -4.771) 8.352 13.100 ( 4.642 -0.199 14.173) 14.916 13.964 ( -13.370 1.455 -16.379) 21.193 18.136 ( -6.594 4.878 0.083) 8.202 18.487 ( -12.822 -9.903 11.933) 20.122 18.911 ( 16.137 7.233 -6.939) 18.997 19.054 ( -7.827 1.136 -6.941) 10.523 20.984 ( 3.535 0.720 13.263) 13.745 22.530 ( 7.308 5.799 -16.466) 18.925 23.280 ( 2.016 -9.658 -1.257) 9.946 23.788 ( -0.806 2.627 3.650) 4.569 ======================= Grid point 15 (10/361) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 2.195 5.234 15.226) 16.249 2.863 ( 9.385 -11.369 16.520) 22.141 3.181 ( -10.214 0.818 -3.852) 10.947 3.413 ( -4.328 5.236 -1.567) 6.972 3.770 ( -6.227 9.650 -9.017) 14.601 4.176 ( 3.488 -4.250 -7.610) 9.389 4.466 ( 6.568 -3.792 -3.243) 8.248 4.644 ( -2.732 -2.115 5.465) 6.466 4.751 ( 3.585 0.763 -10.682) 11.294 5.210 ( -3.303 -3.058 -6.928) 8.262 5.512 ( 0.195 -3.574 19.415) 19.742 5.875 ( -0.341 -1.106 2.666) 2.907 6.061 ( -6.241 2.726 -11.066) 12.994 6.397 ( 0.385 3.485 8.152) 8.874 6.714 ( 1.241 12.125 -3.369) 12.645 7.151 ( -3.281 -2.375 2.093) 4.559 7.842 ( 2.267 -20.212 1.886) 20.426 8.805 ( -2.250 9.216 0.549) 9.502 9.137 ( -2.254 -1.746 -0.436) 2.884 9.763 ( -1.224 2.452 -5.262) 5.933 10.265 ( 12.851 -10.285 3.804) 16.894 10.901 ( -4.597 22.961 2.827) 23.587 11.531 ( 8.315 -1.623 1.753) 8.652 11.993 ( -0.918 -1.247 1.880) 2.436 12.203 ( -0.747 -6.592 -0.639) 6.664 12.432 ( 0.360 -2.741 -3.560) 4.507 13.305 ( 2.597 -0.141 2.477) 3.592 13.649 ( -6.630 -0.756 -3.398) 7.488 18.043 ( -2.673 1.572 0.387) 3.125 18.535 ( -9.437 -10.743 4.480) 14.985 18.841 ( 0.639 3.391 -9.660) 10.258 19.027 ( 12.265 6.812 -1.122) 14.074 21.116 ( -0.902 4.392 8.932) 9.995 22.397 ( 0.159 -1.243 -11.167) 11.238 23.378 ( 2.543 -6.366 0.452) 6.870 23.788 ( -0.564 3.842 3.026) 4.923 ======================= Grid point 16 (11/361) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( 0.248 14.446 -0.006) 14.448 2.747 ( -15.459 5.410 -13.378) 21.147 3.291 ( 0.632 -1.428 6.654) 6.835 3.347 ( -2.724 -1.214 2.220) 3.718 3.655 ( 1.451 -7.807 3.721) 8.769 3.988 ( -18.944 -2.998 -5.763) 20.027 4.501 ( -2.437 4.650 -10.385) 11.637 4.598 ( 6.760 -6.264 -11.033) 14.376 4.779 ( -5.844 -1.407 8.661) 10.543 5.079 ( -2.050 -4.913 -7.723) 9.380 5.569 ( -4.424 4.898 -3.135) 7.307 5.845 ( -0.156 1.316 -0.322) 1.363 6.027 ( -4.598 -9.332 5.913) 11.966 6.490 ( 3.618 10.547 6.917) 13.122 6.637 ( 2.581 0.575 0.928) 2.802 7.172 ( -3.097 -2.301 5.960) 7.100 8.079 ( 7.368 -11.116 2.039) 13.491 8.687 ( -3.179 7.031 -1.502) 7.861 9.160 ( 0.527 -3.457 2.416) 4.250 9.649 ( -3.665 -1.750 -6.426) 7.602 10.571 ( 12.289 -0.669 3.113) 12.694 10.682 ( -1.298 17.438 2.786) 17.707 11.537 ( -4.845 6.034 -0.738) 7.774 11.979 ( -3.358 0.275 0.365) 3.389 12.322 ( 7.999 -5.285 4.550) 10.612 12.476 ( 1.693 -2.287 2.074) 3.521 13.111 ( -6.910 0.650 -16.407) 17.815 13.837 ( 7.906 -5.329 16.005) 18.630 18.041 ( 1.523 -0.367 0.360) 1.607 18.475 ( -9.220 -11.296 -6.913) 16.137 18.814 ( 8.895 2.845 -2.333) 9.626 19.135 ( 11.382 6.611 1.732) 13.276 21.087 ( -5.242 7.629 2.152) 9.503 22.291 ( -8.141 -7.687 -4.233) 11.971 23.470 ( 2.741 -2.829 2.104) 4.466 23.781 ( 0.755 4.842 2.053) 5.313 ======================= Grid point 17 (12/361) ======================= q-point: (-0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -3.487 21.319 -9.865) 23.748 2.263 ( -16.010 12.375 -16.403) 26.048 3.326 ( -0.506 -2.139 2.721) 3.497 3.376 ( -3.557 -5.684 1.761) 6.932 3.569 ( -27.347 8.433 -8.490) 29.850 3.838 ( 0.028 -10.877 -1.702) 11.010 4.148 ( -10.129 1.427 -17.896) 20.613 4.608 ( -6.188 -5.959 4.336) 9.623 4.842 ( 0.678 -6.911 7.156) 9.972 5.133 ( 3.734 -6.461 -0.415) 7.473 5.459 ( 0.534 0.323 -5.553) 5.588 5.814 ( 0.074 2.750 -2.020) 3.413 6.023 ( -12.208 -7.311 0.569) 14.241 6.470 ( 3.693 11.614 2.326) 12.407 6.803 ( 4.065 -7.224 7.444) 11.141 7.261 ( -1.218 -2.570 10.448) 10.829 8.248 ( 8.999 5.640 1.326) 10.703 8.578 ( -3.534 -2.904 -4.509) 6.423 9.260 ( 1.731 -5.618 4.173) 7.209 9.564 ( -2.601 -4.197 -4.071) 6.399 10.451 ( -0.947 23.094 2.390) 23.236 10.833 ( 8.769 -4.717 -0.273) 9.961 11.351 ( -8.059 9.276 -1.596) 12.392 11.913 ( -4.831 1.056 -0.512) 4.972 12.507 ( -3.119 7.125 4.718) 9.097 12.556 ( 7.157 -6.568 4.683) 10.784 12.890 ( 2.550 -2.122 -10.510) 11.021 14.212 ( 9.662 -7.385 15.853) 19.980 18.027 ( 1.466 -4.488 -13.539) 14.338 18.435 ( -2.788 -9.383 2.614) 10.132 18.916 ( 16.085 6.365 -4.228) 17.807 19.275 ( 9.534 3.573 5.305) 11.481 20.896 ( -9.463 8.804 -4.242) 13.603 22.194 ( -17.174 -12.824 1.339) 21.476 23.561 ( 3.184 -0.232 4.474) 5.496 23.773 ( 2.240 6.523 1.693) 7.102 ======================= Grid point 18 (13/361) ======================= q-point: (-0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -6.326 24.801 -12.770) 28.604 1.717 ( -16.060 18.487 -15.269) 28.859 2.774 ( -30.724 24.814 -25.702) 47.121 3.370 ( -1.770 -1.655 0.415) 2.459 3.423 ( -5.293 -8.829 6.346) 12.093 3.807 ( -2.428 -4.624 -8.135) 9.667 3.931 ( -7.747 -7.075 -4.058) 11.249 4.719 ( -2.885 -8.152 10.852) 13.876 5.005 ( -1.875 -12.914 4.953) 13.958 5.223 ( 1.230 -6.307 0.823) 6.478 5.432 ( -0.346 -3.315 -2.431) 4.125 5.748 ( -0.727 1.614 -6.887) 7.111 5.922 ( -7.856 -5.001 1.949) 9.515 6.461 ( 4.156 8.030 1.119) 9.111 6.958 ( -3.091 -7.600 3.949) 9.106 7.421 ( 1.115 -2.493 11.956) 12.264 8.259 ( 7.641 22.448 6.102) 24.486 8.556 ( -0.666 -14.666 -8.609) 17.019 9.382 ( 1.409 -5.891 3.160) 6.832 9.572 ( 0.009 -6.307 0.721) 6.348 10.268 ( -3.134 17.331 1.169) 17.650 10.893 ( -0.359 0.381 -3.631) 3.668 11.149 ( -4.127 9.472 -3.426) 10.885 11.830 ( -4.141 1.130 -0.640) 4.340 12.362 ( -7.580 4.691 -2.922) 9.380 12.725 ( 3.404 -5.819 3.453) 7.575 13.003 ( 13.233 6.026 8.560) 16.873 14.588 ( 8.633 -8.453 13.554) 18.158 17.843 ( -0.473 -11.277 -28.456) 30.613 18.598 ( 4.480 -4.598 8.927) 10.996 19.041 ( 22.683 11.001 -6.032) 25.922 19.448 ( 8.693 2.937 6.101) 11.019 20.602 ( -12.021 6.832 -6.711) 15.370 22.050 ( -27.579 -17.225 3.094) 32.663 23.656 ( 1.048 -1.648 2.828) 3.437 23.792 ( 6.248 11.582 7.872) 15.334 ======================= Grid point 19 (14/361) ======================= q-point: (-0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( -6.289 27.423 -10.527) 30.040 1.115 ( -21.250 21.797 -13.824) 33.433 1.780 ( -22.429 40.877 -25.434) 53.112 3.369 ( -3.098 -7.340 0.463) 7.980 3.503 ( -2.352 -0.028 8.195) 8.526 3.755 ( -3.015 -7.480 -3.099) 8.639 3.854 ( -7.203 -4.379 -1.784) 8.616 4.862 ( -2.012 -5.650 7.672) 9.738 5.104 ( -6.506 -15.563 -1.266) 16.916 5.327 ( 2.875 -8.507 1.303) 9.073 5.435 ( -3.225 -5.046 0.815) 6.044 5.601 ( -7.012 -0.070 -5.396) 8.848 5.974 ( 2.425 -5.882 2.137) 6.712 6.461 ( 4.518 7.135 -0.270) 8.449 6.902 ( -12.228 -3.317 -3.481) 13.139 7.591 ( 2.678 -1.501 7.939) 8.511 8.337 ( 12.019 21.506 21.108) 32.442 8.580 ( 2.239 -13.207 -9.792) 16.593 9.472 ( 1.617 -4.765 0.968) 5.124 9.656 ( -1.873 -8.288 1.931) 8.713 10.067 ( -9.932 8.012 -2.879) 13.082 10.733 ( -9.511 7.275 -4.648) 12.845 10.994 ( 0.478 8.403 -5.281) 9.936 11.775 ( -1.945 0.521 -0.217) 2.025 12.216 ( -4.125 0.766 -2.987) 5.150 12.846 ( 2.002 -4.333 2.633) 5.451 13.306 ( 16.779 12.619 22.873) 31.048 14.907 ( 6.084 -7.857 10.553) 14.495 17.537 ( -0.657 -15.040 -42.681) 45.258 18.780 ( 4.834 -0.878 4.665) 6.775 19.239 ( 32.754 13.183 -5.636) 35.755 19.568 ( 6.041 7.097 2.703) 9.704 20.345 ( -9.085 1.183 -3.149) 9.688 21.777 ( -41.178 -19.822 1.855) 45.738 23.666 ( -0.732 -0.473 -0.919) 1.266 23.964 ( 9.924 11.448 18.078) 23.587 ======================= Grid point 20 (15/361) ======================= q-point: (-0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 28.332 -0.000) 28.332 0.555 ( 0.000 31.286 -0.000) 31.286 1.000 ( 0.000 55.850 -0.000) 55.850 3.422 ( -0.000 -7.877 0.000) 7.877 3.560 ( 0.000 1.833 -0.000) 1.833 3.698 ( -0.000 -1.723 0.000) 1.723 3.844 ( -0.000 -5.239 0.000) 5.239 4.989 ( -0.000 -4.793 0.000) 4.793 5.022 ( -0.000 -6.057 0.000) 6.057 5.434 ( -0.000 -3.549 0.000) 3.549 5.477 ( -0.000 -5.514 0.000) 5.514 5.487 ( -0.000 -2.186 0.000) 2.186 6.070 ( -0.000 -6.753 0.000) 6.753 6.422 ( 0.000 10.667 -0.000) 10.667 6.735 ( 0.000 0.449 -0.000) 0.449 7.674 ( -0.000 -0.590 0.000) 0.590 8.627 ( -0.000 -10.890 0.000) 10.890 8.680 ( 0.000 1.528 -0.000) 1.528 9.541 ( -0.000 -1.763 0.000) 1.763 9.655 ( -0.000 -14.779 0.000) 14.779 9.774 ( 0.000 17.256 -0.000) 17.256 10.493 ( 0.000 14.523 -0.000) 14.523 10.896 ( 0.000 6.891 -0.000) 6.891 11.759 ( 0.000 0.159 -0.000) 0.159 12.167 ( -0.000 -0.181 0.000) 0.181 12.908 ( -0.000 -2.901 0.000) 2.901 13.706 ( -0.000 -3.297 0.000) 3.297 15.132 ( -0.000 -8.697 0.000) 8.697 17.149 ( 0.000 1.035 -0.000) 1.035 18.839 ( 0.000 0.598 -0.000) 0.598 19.512 ( 0.000 2.062 -0.000) 2.062 19.543 ( 0.000 7.895 -0.000) 7.895 20.279 ( -0.000 -1.373 0.000) 1.373 21.403 ( -0.000 -2.836 0.000) 2.836 23.653 ( 0.000 0.147 -0.000) 0.147 24.199 ( -0.000 -0.333 0.000) 0.333 ======================= Grid point 23 (16/361) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -4.310 0.000 37.166) 37.415 2.110 ( 21.424 -0.000 19.694) 29.100 3.481 ( -9.562 0.000 -4.922) 10.754 3.595 ( -0.242 0.000 4.197) 4.203 3.962 ( 30.704 -0.000 -7.663) 31.646 4.031 ( 2.144 -0.000 -3.851) 4.408 4.360 ( 5.960 -0.000 21.095) 21.921 4.485 ( -6.158 0.000 -8.528) 10.519 4.965 ( 0.389 -0.000 -22.356) 22.360 5.247 ( -2.870 0.000 -3.972) 4.901 5.291 ( -4.109 0.000 9.701) 10.536 5.823 ( -0.899 0.000 3.054) 3.184 6.058 ( 2.089 -0.000 10.413) 10.620 6.653 ( -7.085 0.000 -10.934) 13.029 7.108 ( 9.372 -0.000 0.636) 9.393 7.150 ( -2.533 0.000 -3.712) 4.494 7.263 ( -11.257 0.000 3.348) 11.744 8.972 ( -1.095 0.000 2.917) 3.116 9.175 ( -6.511 0.000 -2.291) 6.902 9.814 ( 16.526 -0.000 2.944) 16.787 9.988 ( -5.226 0.000 -7.491) 9.133 11.265 ( 17.786 -0.000 -1.453) 17.845 11.349 ( -9.551 0.000 15.832) 18.490 11.862 ( 1.027 -0.000 -4.012) 4.142 12.015 ( 8.777 -0.000 -5.661) 10.445 12.556 ( -7.720 0.000 -4.500) 8.936 13.098 ( 4.587 -0.000 13.879) 14.618 13.976 ( -14.183 0.000 -16.386) 21.671 18.205 ( -10.265 0.000 -1.891) 10.438 18.370 ( -8.596 0.000 11.841) 14.632 18.978 ( 17.048 -0.000 -7.520) 18.633 19.067 ( -9.016 0.000 -6.492) 11.110 20.996 ( 3.292 -0.000 16.504) 16.830 22.592 ( 5.767 -0.000 -22.941) 23.655 23.178 ( 4.018 -0.000 2.219) 4.590 23.813 ( -0.782 0.000 3.955) 4.031 ======================= Grid point 24 (17/361) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -0.712 5.527 27.652) 28.208 2.654 ( 16.432 -9.074 18.151) 26.111 3.219 ( -15.176 1.957 -6.746) 16.722 3.518 ( -7.948 4.975 -1.270) 9.463 3.892 ( -11.093 2.480 -7.058) 13.380 4.107 ( 10.153 -2.118 -17.189) 20.075 4.397 ( 6.600 -2.253 -6.182) 9.320 4.593 ( -1.626 -2.939 7.476) 8.196 4.786 ( 4.434 2.122 -11.815) 12.797 5.149 ( -4.753 -2.790 -6.470) 8.500 5.469 ( 0.608 -1.174 22.113) 22.153 5.862 ( 0.386 -0.348 2.511) 2.564 6.090 ( -5.993 0.651 -7.994) 10.012 6.454 ( -3.694 2.138 3.124) 5.289 7.002 ( -4.527 18.081 1.558) 18.704 7.114 ( -1.220 -0.386 1.376) 1.879 7.447 ( 5.741 -22.455 3.263) 23.406 8.949 ( -2.491 6.088 1.577) 6.764 9.091 ( -4.347 -3.092 -0.732) 5.385 9.808 ( -3.683 1.973 -8.932) 9.861 10.136 ( 18.130 -4.099 5.116) 19.279 11.301 ( -4.468 18.806 8.083) 20.951 11.506 ( 11.893 -0.700 4.131) 12.610 11.896 ( -1.038 -10.652 0.850) 10.736 12.078 ( 6.176 -3.412 -4.577) 8.410 12.410 ( -4.555 -0.213 -3.676) 5.857 13.303 ( 3.925 -0.098 4.065) 5.652 13.637 ( -10.248 -0.443 -5.603) 11.688 18.075 ( -5.765 1.540 1.227) 6.092 18.388 ( -4.923 -4.983 0.560) 7.027 18.881 ( -5.726 1.227 -4.067) 7.130 19.118 ( 17.425 2.740 -7.253) 19.072 21.194 ( -1.287 3.159 15.552) 15.922 22.373 ( -0.115 -1.059 -20.066) 20.094 23.283 ( 4.303 -3.277 2.575) 5.990 23.841 ( -0.680 1.674 3.861) 4.263 ======================= Grid point 25 (18/361) ======================= q-point: (-0.60 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.314 ( 1.557 12.955 11.163) 17.172 2.803 ( -16.223 1.537 -8.213) 18.249 3.195 ( 5.892 -7.836 14.296) 17.335 3.355 ( -6.456 1.271 0.673) 6.614 3.608 ( -11.482 1.077 -6.501) 13.238 3.920 ( -11.783 -4.180 -11.797) 17.190 4.452 ( 6.539 -5.743 -7.566) 11.531 4.628 ( 0.410 5.382 -16.031) 16.915 4.725 ( -1.726 -3.376 8.894) 9.668 5.011 ( -4.999 -3.045 -7.184) 9.267 5.638 ( -8.799 2.702 2.723) 9.599 5.861 ( 0.229 0.130 0.496) 0.561 5.908 ( -4.052 -4.010 0.863) 5.766 6.546 ( 3.472 -0.001 8.388) 9.078 6.810 ( -4.578 13.056 0.738) 13.855 7.141 ( -0.500 0.181 4.877) 4.906 7.776 ( 8.062 -19.540 3.481) 21.423 8.850 ( -3.545 9.113 0.997) 9.830 9.088 ( -2.115 -4.709 1.358) 5.338 9.641 ( -2.582 0.365 -9.716) 10.060 10.486 ( 17.433 -3.786 5.196) 18.581 11.131 ( -2.063 26.461 5.812) 27.171 11.621 ( 0.152 3.416 0.416) 3.444 11.963 ( -4.400 -3.524 3.193) 6.479 12.176 ( 5.741 -10.122 0.304) 11.641 12.415 ( 6.671 -3.253 0.638) 7.449 13.125 ( -8.190 0.738 -16.984) 18.870 13.750 ( 5.302 -3.929 15.563) 16.904 18.053 ( -0.166 1.519 2.673) 3.079 18.300 ( -7.058 -8.004 -9.027) 13.978 18.848 ( 3.634 1.317 3.056) 4.927 19.238 ( 16.083 4.259 -6.179) 17.748 21.246 ( -6.097 9.271 10.012) 14.945 22.151 ( -6.975 -7.621 -14.765) 18.020 23.405 ( 4.098 -3.400 2.838) 6.034 23.862 ( 0.828 3.531 3.539) 5.068 ======================= Grid point 26 (19/361) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( -0.626 21.293 -5.408) 21.978 2.420 ( -17.578 6.151 -8.925) 20.651 3.233 ( -10.235 -5.585 3.364) 12.135 3.369 ( -4.590 1.611 1.214) 5.014 3.585 ( -4.105 -11.283 -2.279) 12.221 3.682 ( -10.207 -2.242 3.072) 10.893 4.250 ( -8.600 10.494 -24.083) 27.642 4.481 ( -0.489 -7.049 -4.139) 8.188 4.748 ( -8.978 -4.098 7.993) 12.700 5.014 ( 3.523 -7.181 -1.425) 8.125 5.456 ( -4.939 -0.721 -7.389) 8.917 5.852 ( 1.270 1.397 -4.366) 4.757 5.928 ( -9.484 -3.390 6.726) 12.111 6.678 ( -0.940 10.479 1.177) 10.587 6.707 ( 3.848 -3.022 7.129) 8.646 7.219 ( -0.482 -1.287 8.904) 9.009 8.066 ( 7.535 -17.342 -1.199) 18.947 8.726 ( -3.393 11.781 1.977) 12.418 9.142 ( -1.332 -6.985 3.020) 7.726 9.514 ( -0.353 -1.358 -8.204) 8.323 10.776 ( 13.494 -1.652 2.196) 13.771 10.931 ( -0.423 29.060 4.894) 29.472 11.498 ( -7.113 7.117 -1.670) 10.200 11.925 ( -5.497 0.140 0.731) 5.548 12.383 ( 3.683 -12.379 3.993) 13.518 12.603 ( 6.720 2.717 4.417) 8.488 12.837 ( -0.841 -3.115 -13.088) 13.480 14.076 ( 7.480 -7.362 14.530) 17.924 17.967 ( -3.513 -2.398 -16.242) 16.790 18.296 ( 0.728 -5.985 8.746) 10.623 18.991 ( 12.561 2.634 3.282) 13.247 19.349 ( 14.010 3.949 -3.231) 14.910 21.092 ( -10.365 13.085 0.202) 16.694 21.967 ( -15.078 -13.079 -6.460) 20.979 23.520 ( 3.493 -2.910 2.966) 5.428 23.890 ( 3.100 5.533 3.628) 7.306 ======================= Grid point 27 (20/361) ======================= q-point: (-0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -4.192 24.351 -12.528) 27.704 2.000 ( -17.186 14.772 -6.780) 23.655 3.177 ( -16.161 4.779 -1.740) 16.943 3.222 ( -16.927 -2.950 -1.301) 17.231 3.408 ( 3.792 7.003 -3.939) 8.885 3.714 ( 0.218 -5.336 -6.037) 8.060 3.823 ( -9.078 -2.376 -10.384) 13.996 4.554 ( -4.001 -9.886 9.447) 14.248 4.798 ( -5.962 -10.204 5.382) 12.987 5.100 ( 1.174 -7.926 -1.617) 8.174 5.348 ( -3.157 -5.922 -6.996) 9.695 5.772 ( -3.692 1.379 -5.264) 6.576 5.881 ( -3.318 -0.300 1.660) 3.722 6.620 ( 2.766 8.817 0.617) 9.261 6.845 ( -1.097 -4.749 5.411) 7.283 7.363 ( 0.373 -3.745 11.170) 11.787 8.246 ( 4.866 -16.417 -8.069) 18.929 8.614 ( -0.900 14.965 5.756) 16.059 9.236 ( -1.804 -9.642 3.272) 10.341 9.469 ( 1.656 -3.919 -5.017) 6.578 10.714 ( -0.240 30.177 3.465) 30.377 10.923 ( 6.499 2.206 -1.432) 7.011 11.311 ( -5.626 8.387 -2.353) 10.369 11.847 ( -5.026 0.735 -0.142) 5.082 12.429 ( -8.518 3.108 -7.968) 12.071 12.584 ( 3.026 -10.450 2.671) 11.203 13.037 ( 15.429 -1.336 9.358) 18.095 14.412 ( 6.672 -10.673 11.670) 17.164 17.698 ( -5.581 -5.581 -22.706) 24.038 18.533 ( 6.369 -2.690 13.292) 14.983 19.195 ( 20.477 6.671 -1.145) 21.567 19.498 ( 12.155 2.353 2.967) 12.731 20.765 ( -13.929 11.651 -6.690) 19.352 21.781 ( -23.237 -14.099 -1.758) 27.237 23.615 ( 1.903 -2.445 2.042) 3.710 23.950 ( 5.930 6.489 5.686) 10.469 ======================= Grid point 28 (21/361) ======================= q-point: (-0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -7.254 24.686 -10.606) 27.830 1.507 ( -15.775 24.122 -7.477) 29.776 2.541 ( -12.936 42.572 -11.011) 45.836 3.181 ( -6.429 -13.170 -1.953) 14.785 3.498 ( 3.642 -3.421 6.667) 8.332 3.627 ( -4.346 -4.690 -4.612) 7.884 3.754 ( -3.971 -6.269 -2.975) 7.995 4.720 ( -4.189 -9.810 11.345) 15.572 4.861 ( -4.326 -12.050 -0.092) 12.803 5.163 ( 0.576 -9.575 -1.225) 9.671 5.301 ( -3.150 -10.024 -5.109) 11.684 5.628 ( -5.376 2.705 -3.523) 6.974 5.910 ( 3.455 -2.116 0.223) 4.058 6.604 ( 4.951 8.052 0.237) 9.456 6.853 ( -7.742 -1.859 0.841) 8.007 7.537 ( 1.255 -4.724 8.620) 9.909 8.310 ( 0.239 -15.192 -8.337) 17.331 8.625 ( 6.230 12.115 10.421) 17.151 9.323 ( -2.722 -11.695 0.467) 12.017 9.487 ( 0.242 -5.844 -2.879) 6.519 10.466 ( -1.204 30.316 1.289) 30.367 10.884 ( -0.648 8.362 -2.970) 8.897 11.153 ( -1.763 8.939 -2.634) 9.484 11.784 ( -2.729 0.471 -0.182) 2.775 12.230 ( -4.719 0.897 -5.308) 7.159 12.736 ( 1.682 -8.341 2.550) 8.883 13.382 ( 12.495 -1.134 13.007) 18.072 14.712 ( 4.264 -13.162 7.842) 15.903 17.388 ( -4.999 -3.979 -23.037) 23.906 18.770 ( 5.281 -0.219 8.457) 9.973 19.414 ( 24.054 7.775 -3.199) 25.481 19.693 ( 10.955 6.130 6.483) 14.129 20.399 ( -13.854 5.331 -6.647) 16.265 21.521 ( -27.038 -11.575 -1.400) 29.444 23.654 ( 0.134 -0.836 0.208) 0.872 24.080 ( 6.839 3.612 7.847) 11.018 ======================= Grid point 29 (22/361) ======================= q-point: (-0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( 0.000 27.302 -0.000) 27.302 1.099 ( 0.000 30.359 -0.000) 30.359 1.952 ( 0.000 51.710 -0.000) 51.710 3.239 ( -0.000 -12.534 0.000) 12.534 3.605 ( 0.000 3.158 -0.000) 3.158 3.626 ( -0.000 -6.914 0.000) 6.914 3.725 ( -0.000 -7.715 0.000) 7.715 4.863 ( -0.000 -9.097 0.000) 9.097 4.886 ( -0.000 -8.722 0.000) 8.722 5.267 ( -0.000 -11.768 0.000) 11.768 5.335 ( -0.000 -10.532 0.000) 10.532 5.530 ( 0.000 4.028 -0.000) 4.028 5.976 ( -0.000 -4.191 0.000) 4.191 6.596 ( 0.000 8.693 -0.000) 8.693 6.751 ( 0.000 1.543 -0.000) 1.543 7.643 ( -0.000 -3.397 0.000) 3.397 8.387 ( -0.000 -15.074 0.000) 15.074 8.727 ( 0.000 3.944 -0.000) 3.944 9.395 ( -0.000 -13.810 0.000) 13.810 9.497 ( -0.000 -3.019 0.000) 3.019 10.193 ( 0.000 29.092 -0.000) 29.092 10.746 ( 0.000 13.291 -0.000) 13.291 11.044 ( 0.000 9.226 -0.000) 9.226 11.762 ( 0.000 0.200 -0.000) 0.200 12.164 ( -0.000 -0.102 0.000) 0.102 12.829 ( -0.000 -6.283 0.000) 6.283 13.624 ( -0.000 -5.709 0.000) 5.709 14.924 ( -0.000 -14.249 0.000) 14.249 17.174 ( 0.000 1.699 -0.000) 1.699 18.854 ( 0.000 0.956 -0.000) 0.956 19.563 ( 0.000 3.694 -0.000) 3.694 19.734 ( 0.000 13.144 -0.000) 13.144 20.244 ( -0.000 -2.580 0.000) 2.580 21.330 ( -0.000 -5.299 0.000) 5.299 23.656 ( 0.000 0.054 -0.000) 0.054 24.192 ( -0.000 -0.487 0.000) 0.487 ======================= Grid point 34 (23/361) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -0.215 0.000 17.901) 17.902 2.811 ( -13.919 0.000 -6.306) 15.281 3.107 ( 9.755 -0.000 12.262) 15.669 3.375 ( -12.157 0.000 -1.564) 12.257 3.620 ( -16.790 0.000 -5.609) 17.702 3.877 ( -7.020 0.000 -17.066) 18.453 4.396 ( 6.680 -0.000 -7.438) 9.997 4.678 ( -4.542 0.000 -4.759) 6.579 4.700 ( 5.669 -0.000 -0.035) 5.670 4.979 ( -5.925 0.000 -7.524) 9.577 5.661 ( -9.206 0.000 7.479) 11.861 5.852 ( -6.014 0.000 -1.915) 6.311 5.882 ( 1.565 -0.000 -1.453) 2.136 6.547 ( 3.230 -0.000 7.323) 8.003 6.935 ( -15.920 0.000 6.391) 17.155 7.195 ( 8.043 -0.000 -3.402) 8.733 7.535 ( 9.526 -0.000 8.009) 12.446 8.971 ( -2.548 0.000 1.847) 3.147 9.006 ( -4.244 0.000 0.816) 4.322 9.647 ( -2.385 0.000 -10.809) 11.069 10.452 ( 18.921 -0.000 5.584) 19.728 11.451 ( -3.241 0.000 8.810) 9.387 11.666 ( 0.370 -0.000 5.020) 5.034 11.835 ( 0.410 -0.000 1.014) 1.094 12.084 ( 4.577 -0.000 -5.029) 6.800 12.386 ( 6.560 -0.000 1.132) 6.657 13.132 ( -8.521 0.000 -17.100) 19.105 13.714 ( 4.346 -0.000 15.337) 15.941 18.076 ( -1.195 0.000 6.833) 6.937 18.219 ( -5.454 0.000 -13.245) 14.324 18.861 ( 1.433 -0.000 5.159) 5.354 19.275 ( 17.472 -0.000 -8.835) 19.579 21.346 ( -6.644 0.000 15.393) 16.766 22.069 ( -6.145 0.000 -21.473) 22.335 23.372 ( 4.664 -0.000 3.518) 5.842 23.894 ( 0.818 -0.000 3.800) 3.887 ======================= Grid point 35 (24/361) ======================= q-point: (-0.60 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.481 ( -12.124 4.769 -6.813) 14.702 2.517 ( -3.457 8.610 -0.130) 9.279 3.176 ( -12.973 -0.188 -0.493) 12.983 3.308 ( -12.234 -8.609 -5.924) 16.089 3.466 ( 6.428 0.222 8.968) 11.036 3.625 ( -14.163 -3.193 0.722) 14.537 4.368 ( -0.472 -1.604 -8.436) 8.600 4.467 ( -1.600 6.574 -15.681) 17.078 4.722 ( -9.778 2.918 5.511) 11.597 4.870 ( -0.548 -9.046 -4.692) 10.205 5.438 ( -10.140 -0.827 -8.155) 13.039 5.869 ( 0.863 0.877 -2.866) 3.119 5.891 ( -5.442 -1.399 7.249) 9.172 6.682 ( 4.765 -0.127 5.461) 7.249 6.808 ( -9.798 3.372 5.994) 11.970 7.243 ( 4.622 3.320 0.570) 5.719 7.789 ( 7.325 -11.130 3.564) 13.793 8.901 ( -3.269 8.070 2.940) 9.190 9.025 ( -2.782 -6.385 2.468) 7.389 9.505 ( 0.394 -0.104 -10.352) 10.360 10.754 ( 15.552 -0.609 3.467) 15.946 11.412 ( -0.367 20.980 6.687) 22.023 11.599 ( -7.864 5.312 0.309) 9.495 11.895 ( -5.673 -5.246 3.974) 8.689 12.139 ( 5.461 -11.637 -2.671) 13.129 12.619 ( 15.867 -0.152 7.075) 17.373 12.804 ( -8.327 -0.645 -16.240) 18.262 13.979 ( 6.242 -3.044 13.456) 15.142 17.940 ( -6.705 -0.726 -17.980) 19.203 18.226 ( 4.115 -1.943 12.449) 13.255 19.021 ( 9.271 0.854 8.898) 12.879 19.396 ( 16.369 1.272 -8.710) 18.586 21.326 ( -11.597 11.379 7.731) 17.992 21.743 ( -12.346 -10.770 -16.615) 23.334 23.481 ( 4.000 -1.229 3.417) 5.403 23.956 ( 3.027 1.885 3.600) 5.067 ======================= Grid point 36 (25/361) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( -10.724 11.671 -7.723) 17.631 2.301 ( -4.275 18.470 -6.054) 19.902 3.002 ( -12.410 -9.488 -4.629) 16.293 3.167 ( -9.823 -9.338 -1.144) 13.601 3.521 ( -12.494 -0.537 10.855) 16.559 3.649 ( 3.317 -1.758 0.731) 3.825 4.002 ( -4.251 20.203 -21.809) 30.031 4.400 ( -1.936 -6.809 3.486) 7.890 4.659 ( -10.005 -4.930 7.001) 13.169 4.922 ( -1.158 -12.633 -3.070) 13.052 5.251 ( -6.353 -4.186 -9.090) 11.854 5.804 ( -5.167 2.132 -1.526) 5.794 5.878 ( -0.720 -0.508 -1.019) 1.347 6.747 ( -0.908 4.968 2.274) 5.539 6.800 ( 0.903 -0.350 6.173) 6.249 7.307 ( 1.462 -2.140 4.708) 5.374 7.979 ( 4.490 -12.485 -3.240) 13.658 8.831 ( -2.115 9.759 5.212) 11.264 9.083 ( -2.522 -7.326 2.780) 8.232 9.424 ( 2.624 -1.642 -7.891) 8.476 10.953 ( 9.602 1.223 0.439) 9.689 11.262 ( 0.824 29.792 5.425) 30.293 11.432 ( -6.869 5.323 -1.797) 8.874 11.853 ( -5.683 -0.224 0.620) 5.722 12.338 ( 2.916 -16.555 2.587) 17.008 12.478 ( -8.146 1.691 -12.971) 15.409 12.994 ( 16.618 -2.615 9.352) 19.248 14.246 ( 5.407 -7.344 9.792) 13.381 17.634 ( -7.118 -2.048 -18.771) 20.179 18.501 ( 7.693 -1.127 15.712) 17.531 19.286 ( 16.392 3.767 7.702) 18.499 19.521 ( 15.051 0.247 -4.078) 15.595 21.001 ( -14.693 14.632 -8.564) 22.435 21.534 ( -19.136 -14.160 -3.834) 24.112 23.578 ( 2.724 -1.541 2.698) 4.133 24.031 ( 4.775 2.918 3.648) 6.680 ======================= Grid point 37 (26/361) ======================= q-point: (-0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -8.972 20.156 -7.068) 23.167 1.954 ( -6.204 25.012 -6.366) 26.545 2.926 ( -7.336 -15.253 -3.255) 17.235 3.140 ( -8.402 12.738 8.595) 17.514 3.393 ( -3.692 2.394 -6.141) 7.555 3.613 ( -3.208 -0.351 -8.648) 9.231 3.700 ( 3.090 4.987 -0.445) 5.884 4.540 ( -3.123 -9.976 10.774) 15.012 4.680 ( -5.059 -8.548 3.128) 10.414 4.980 ( -1.956 -12.326 -1.340) 12.552 5.117 ( -3.984 -8.863 -9.981) 13.930 5.679 ( -5.048 2.790 -2.039) 6.117 5.883 ( 2.379 -1.215 -1.469) 3.049 6.729 ( 3.396 5.701 -0.360) 6.646 6.844 ( -3.609 1.139 4.150) 5.617 7.429 ( 0.495 -7.183 5.748) 9.213 8.066 ( 1.795 -11.684 -6.144) 13.322 8.810 ( 0.890 9.120 6.923) 11.484 9.138 ( -2.830 -8.489 0.584) 8.967 9.413 ( 2.442 -3.458 -4.215) 5.974 11.002 ( 2.530 6.685 -0.471) 7.163 11.042 ( 0.549 31.814 2.417) 31.910 11.291 ( -2.528 6.385 -2.128) 7.189 11.790 ( -3.353 0.132 -0.124) 3.358 12.247 ( -5.069 0.968 -7.198) 8.857 12.539 ( 1.473 -14.431 2.284) 14.684 13.328 ( 10.958 -3.812 8.558) 14.417 14.483 ( 3.194 -11.750 5.626) 13.413 17.353 ( -5.347 -0.703 -14.623) 15.586 18.771 ( 5.590 0.165 10.850) 12.206 19.534 ( 18.998 6.177 -1.145) 20.010 19.757 ( 14.732 0.909 9.667) 17.644 20.537 ( -16.655 9.841 -12.757) 23.173 21.332 ( -20.010 -10.246 -1.679) 22.543 23.639 ( 1.014 -0.865 1.185) 1.783 24.122 ( 4.563 1.500 3.612) 6.010 ======================= Grid point 38 (27/361) ======================= q-point: (-0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 0.000 25.301 -0.000) 25.301 1.619 ( 0.000 28.479 -0.000) 28.479 2.800 ( 0.000 43.718 -0.000) 43.718 2.991 ( -0.000 -15.360 0.000) 15.360 3.444 ( -0.000 -13.715 0.000) 13.715 3.593 ( -0.000 -6.657 0.000) 6.657 3.671 ( 0.000 4.620 -0.000) 4.620 4.687 ( -0.000 -10.281 0.000) 10.281 4.732 ( -0.000 -8.520 0.000) 8.520 5.068 ( -0.000 -10.032 0.000) 10.032 5.112 ( -0.000 -14.456 0.000) 14.456 5.600 ( 0.000 3.579 -0.000) 3.579 5.915 ( -0.000 -2.787 0.000) 2.787 6.720 ( 0.000 5.265 -0.000) 5.265 6.796 ( 0.000 3.759 -0.000) 3.759 7.545 ( -0.000 -7.731 0.000) 7.731 8.136 ( -0.000 -12.543 0.000) 12.543 8.818 ( 0.000 6.125 -0.000) 6.125 9.186 ( -0.000 -9.696 0.000) 9.696 9.438 ( -0.000 -3.680 0.000) 3.680 10.759 ( 0.000 34.120 -0.000) 34.120 10.944 ( 0.000 9.005 -0.000) 9.005 11.199 ( 0.000 7.824 -0.000) 7.824 11.765 ( 0.000 0.048 -0.000) 0.048 12.165 ( 0.000 0.182 -0.000) 0.182 12.677 ( -0.000 -11.283 0.000) 11.283 13.516 ( -0.000 -6.169 0.000) 6.169 14.661 ( -0.000 -14.664 0.000) 14.664 17.205 ( 0.000 1.729 -0.000) 1.729 18.871 ( 0.000 0.943 -0.000) 0.943 19.636 ( 0.000 4.414 -0.000) 4.414 19.984 ( 0.000 14.487 -0.000) 14.487 20.191 ( -0.000 -3.300 0.000) 3.300 21.221 ( -0.000 -6.943 0.000) 6.943 23.654 ( -0.000 -0.186 0.000) 0.186 24.183 ( -0.000 -0.413 0.000) 0.413 ======================= Grid point 45 (28/361) ======================= q-point: ( 0.40 -0.60 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.279 ( -10.398 0.000 -0.656) 10.418 2.496 ( 0.920 -0.000 -10.705) 10.745 2.926 ( -14.082 0.000 -8.154) 16.272 3.029 ( -10.547 0.000 -3.441) 11.094 3.500 ( -14.004 0.000 12.901) 19.041 3.638 ( 3.795 -0.000 3.327) 5.047 4.251 ( -3.869 0.000 -4.323) 5.802 4.331 ( -0.242 0.000 -10.011) 10.014 4.656 ( -2.662 0.000 -9.112) 9.493 4.722 ( -11.572 0.000 9.808) 15.170 5.214 ( -6.918 0.000 -9.220) 11.527 5.832 ( -9.338 0.000 2.627) 9.701 5.866 ( 3.809 -0.000 -4.944) 6.242 6.784 ( -6.906 0.000 7.316) 10.061 6.810 ( 5.166 -0.000 4.249) 6.688 7.290 ( 2.895 -0.000 -2.698) 3.958 7.858 ( 4.417 -0.000 1.496) 4.664 8.967 ( -2.240 0.000 4.202) 4.762 8.969 ( -2.675 0.000 3.557) 4.450 9.409 ( 2.604 -0.000 -9.092) 9.458 10.963 ( 10.554 -0.000 1.085) 10.609 11.468 ( -4.194 0.000 -3.571) 5.508 11.649 ( -4.262 0.000 10.883) 11.688 11.828 ( -5.689 0.000 3.047) 6.454 12.106 ( 5.431 -0.000 -3.725) 6.586 12.495 ( -8.420 0.000 -13.667) 16.053 12.968 ( 17.012 -0.000 9.574) 19.521 14.178 ( 4.981 -0.000 9.058) 10.337 17.617 ( -7.426 0.000 -17.474) 18.987 18.491 ( 8.129 -0.000 16.496) 18.390 19.322 ( 14.228 -0.000 13.272) 19.457 19.519 ( 16.495 -0.000 -8.867) 18.728 21.234 ( -15.533 0.000 -22.403) 27.262 21.308 ( -16.875 0.000 8.410) 18.855 23.564 ( 3.012 -0.000 2.982) 4.239 24.056 ( 4.305 -0.000 3.007) 5.251 ======================= Grid point 47 (29/361) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( -6.135 13.266 -2.071) 14.762 2.324 ( -1.221 13.483 -7.532) 15.492 2.687 ( -9.354 -8.839 -5.676) 14.066 2.996 ( -2.307 -12.235 2.846) 12.772 3.479 ( -9.120 0.102 8.885) 12.732 3.625 ( -2.032 1.089 -6.188) 6.604 4.027 ( 1.136 24.685 -5.968) 25.421 4.370 ( -0.942 -11.032 6.161) 12.671 4.553 ( -2.783 -5.801 -4.174) 7.670 4.751 ( -7.844 -9.777 8.044) 14.894 5.022 ( -3.878 -2.389 -11.561) 12.425 5.717 ( -6.008 1.197 -1.373) 6.278 5.866 ( 2.455 -0.567 -2.764) 3.740 6.786 ( -2.462 1.042 4.085) 4.882 6.897 ( 2.799 3.465 2.483) 5.099 7.310 ( 0.857 -5.007 -0.528) 5.107 7.922 ( 1.776 -4.253 -1.346) 4.801 8.942 ( -0.957 5.654 4.574) 7.335 9.026 ( -1.772 -4.561 2.130) 5.337 9.363 ( 2.542 -1.775 -5.702) 6.491 11.064 ( 4.304 1.671 -0.105) 4.618 11.369 ( -2.664 2.318 -2.209) 4.165 11.584 ( -0.396 25.285 5.262) 25.830 11.789 ( -3.673 -0.322 0.282) 3.698 12.231 ( 2.643 -15.639 -2.438) 16.047 12.265 ( -5.695 -1.665 -5.374) 8.005 13.275 ( 10.587 -1.718 7.094) 12.859 14.332 ( 2.747 -4.643 4.553) 7.060 17.349 ( -5.245 -0.009 -11.571) 12.704 18.774 ( 5.706 0.111 11.978) 13.269 19.631 ( 15.798 4.340 -2.228) 16.534 19.737 ( 16.494 -2.364 13.372) 21.364 20.704 ( -17.527 7.137 -19.544) 27.204 21.172 ( -16.328 -6.546 1.754) 17.678 23.627 ( 1.537 -0.374 1.732) 2.345 24.139 ( 3.405 0.448 1.975) 3.961 ======================= Grid point 48 (30/361) ======================= q-point: (-0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 21.320 -0.000) 21.320 2.086 ( 0.000 23.417 -0.000) 23.417 2.711 ( -0.000 -15.680 0.000) 15.680 3.161 ( -0.000 -17.275 0.000) 17.275 3.417 ( 0.000 21.751 -0.000) 21.751 3.501 ( -0.000 -3.700 0.000) 3.700 3.822 ( 0.000 16.559 -0.000) 16.559 4.527 ( -0.000 -7.098 0.000) 7.098 4.567 ( -0.000 -12.071 0.000) 12.071 4.855 ( -0.000 -12.632 0.000) 12.632 4.930 ( -0.000 -5.335 0.000) 5.335 5.649 ( 0.000 1.876 -0.000) 1.876 5.877 ( -0.000 -1.452 0.000) 1.452 6.782 ( 0.000 1.983 -0.000) 1.983 6.884 ( 0.000 5.850 -0.000) 5.850 7.386 ( -0.000 -9.377 0.000) 9.377 7.966 ( -0.000 -6.456 0.000) 6.456 8.927 ( 0.000 5.651 -0.000) 5.651 9.057 ( -0.000 -4.895 0.000) 4.895 9.372 ( -0.000 -3.450 0.000) 3.450 11.062 ( 0.000 4.353 -0.000) 4.353 11.309 ( 0.000 4.420 -0.000) 4.420 11.355 ( 0.000 32.108 -0.000) 32.108 11.764 ( -0.000 -0.115 0.000) 0.115 12.170 ( 0.000 0.279 -0.000) 0.279 12.419 ( -0.000 -17.963 0.000) 17.963 13.423 ( -0.000 -3.937 0.000) 3.937 14.441 ( -0.000 -9.299 0.000) 9.299 17.231 ( 0.000 1.083 -0.000) 1.083 18.885 ( 0.000 0.576 -0.000) 0.576 19.709 ( 0.000 3.453 -0.000) 3.453 20.135 ( -0.000 -2.764 0.000) 2.764 20.216 ( 0.000 10.853 -0.000) 10.853 21.098 ( -0.000 -6.295 0.000) 6.295 23.650 ( -0.000 -0.241 0.000) 0.241 24.178 ( -0.000 -0.215 0.000) 0.215 ======================= Grid point 58 (31/361) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -0.000 -0.000 0.000) 0.000 2.327 ( 0.000 0.000 -0.000) 0.000 2.533 ( -0.000 -0.000 0.000) 0.000 2.950 ( -0.000 -0.000 0.000) 0.000 3.467 ( -0.000 -0.000 0.000) 0.000 3.565 ( -0.000 -0.000 0.000) 0.000 4.202 ( 0.000 0.000 -0.000) 0.000 4.272 ( -0.000 -0.000 0.000) 0.000 4.461 ( -0.000 -0.000 0.000) 0.000 4.743 ( -0.000 -0.000 0.000) 0.000 4.883 ( -0.000 -0.000 0.000) 0.000 5.665 ( -0.000 -0.000 0.000) 0.000 5.865 ( -0.000 -0.000 0.000) 0.000 6.798 ( -0.000 -0.000 0.000) 0.000 6.956 ( -0.000 -0.000 0.000) 0.000 7.279 ( -0.000 -0.000 0.000) 0.000 7.909 ( -0.000 -0.000 0.000) 0.000 8.985 ( -0.000 -0.000 0.000) 0.000 9.014 ( -0.000 -0.000 0.000) 0.000 9.336 ( -0.000 -0.000 0.000) 0.000 11.100 ( -0.000 -0.000 0.000) 0.000 11.348 ( -0.000 -0.000 0.000) 0.000 11.752 ( -0.000 -0.000 0.000) 0.000 11.762 ( -0.000 -0.000 0.000) 0.000 12.150 ( -0.000 -0.000 0.000) 0.000 12.172 ( -0.000 -0.000 0.000) 0.000 13.388 ( -0.000 -0.000 0.000) 0.000 14.356 ( -0.000 -0.000 0.000) 0.000 17.240 ( -0.000 -0.000 0.000) 0.000 18.890 ( -0.000 -0.000 0.000) 0.000 19.743 ( -0.000 -0.000 0.000) 0.000 20.108 ( -0.000 -0.000 0.000) 0.000 20.322 ( -0.000 -0.000 0.000) 0.000 21.034 ( -0.000 -0.000 0.000) 0.000 23.648 ( -0.000 -0.000 0.000) 0.000 24.176 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 105 (32/361) ======================= q-point: ( 0.00 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -3.530 0.000 31.235) 31.433 0.629 ( 26.766 -0.000 31.083) 41.019 1.254 ( -6.441 0.000 61.760) 62.095 3.474 ( 0.037 -0.000 -2.356) 2.356 3.620 ( -2.017 0.000 7.585) 7.849 3.961 ( -3.420 0.000 6.386) 7.244 4.629 ( -71.113 0.000 4.510) 71.255 4.865 ( 3.078 -0.000 -5.104) 5.960 5.320 ( 6.673 -0.000 -1.477) 6.834 5.395 ( 0.905 -0.000 -4.372) 4.465 5.572 ( -1.307 0.000 6.748) 6.873 6.004 ( -52.382 0.000 5.000) 52.620 6.148 ( -4.106 0.000 -2.674) 4.900 6.559 ( 9.433 -0.000 -7.341) 11.953 6.843 ( 8.614 -0.000 3.785) 9.409 7.281 ( 2.101 -0.000 6.863) 7.178 7.587 ( 0.797 -0.000 -9.061) 9.096 8.823 ( -0.376 0.000 7.990) 7.999 9.509 ( -2.485 0.000 -5.765) 6.278 9.575 ( -0.962 0.000 -2.481) 2.661 9.979 ( 27.173 -0.000 2.012) 27.248 10.328 ( -2.096 0.000 0.246) 2.110 11.581 ( -23.360 0.000 8.835) 24.975 11.740 ( 1.675 -0.000 -1.861) 2.504 12.045 ( 0.004 -0.000 -9.973) 9.973 12.589 ( 2.615 -0.000 7.519) 7.961 12.919 ( -0.802 0.000 -1.471) 1.675 14.943 ( -0.208 0.000 -11.779) 11.781 18.548 ( 2.266 -0.000 -6.356) 6.748 18.871 ( -4.809 0.000 2.952) 5.643 19.320 ( 25.787 -0.000 -4.955) 26.259 19.494 ( 25.651 -0.000 1.450) 25.691 20.289 ( 6.604 -0.000 0.038) 6.604 22.986 ( -98.972 0.000 -4.490) 99.074 22.996 ( -1.420 0.000 3.383) 3.669 23.650 ( 2.600 -0.000 -0.355) 2.624 ======================= Grid point 106 (33/361) ======================= q-point: ( 0.10 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 7.152 -2.211 28.470) 29.438 1.310 ( 14.888 -9.003 29.187) 33.979 2.129 ( 22.671 -10.900 47.852) 54.061 3.465 ( 5.732 2.724 -4.525) 7.794 3.576 ( -17.866 1.504 13.515) 22.452 3.974 ( -3.939 2.169 6.423) 7.841 4.231 ( -20.054 3.581 26.225) 33.208 4.814 ( 1.203 3.896 -6.986) 8.089 5.263 ( -2.082 3.778 -7.093) 8.301 5.347 ( 0.735 -1.883 -7.527) 7.793 5.399 ( -7.573 5.829 -5.604) 11.078 5.873 ( -3.305 3.382 18.258) 18.860 6.040 ( -6.903 1.397 1.288) 7.160 6.513 ( 1.649 9.633 0.482) 9.785 6.993 ( 9.635 2.477 -2.827) 10.343 7.361 ( -0.902 -4.849 -13.398) 14.277 7.614 ( -2.988 -19.913 5.643) 20.912 8.897 ( -0.532 3.930 6.977) 8.026 9.424 ( 1.890 -0.405 -7.340) 7.591 9.518 ( -4.248 -4.345 -3.039) 6.794 10.172 ( 10.153 14.552 -4.140) 18.221 10.480 ( 15.850 -16.080 -4.364) 22.996 11.459 ( -11.735 12.606 19.006) 25.649 11.754 ( 3.942 -0.224 -1.988) 4.421 12.009 ( 1.098 -14.017 -10.154) 17.343 12.763 ( 3.048 -5.193 5.856) 8.400 12.867 ( -3.434 -0.722 -2.187) 4.135 14.715 ( -5.568 2.877 -16.942) 18.064 18.471 ( 4.125 13.213 -0.161) 13.843 18.747 ( -8.851 5.219 -4.201) 11.101 19.141 ( -23.775 -11.115 0.587) 26.251 19.569 ( -16.004 0.954 7.293) 17.614 20.431 ( 12.157 3.317 5.915) 13.920 22.283 ( 6.273 28.188 0.308) 28.879 23.202 ( -5.258 -29.528 -4.663) 30.353 23.695 ( 3.427 0.120 0.651) 3.490 ======================= Grid point 107 (34/361) ======================= q-point: ( 0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 10.190 -1.774 24.054) 26.183 1.922 ( 10.696 -13.233 27.601) 32.425 3.026 ( 24.833 -8.698 26.762) 37.531 3.451 ( 5.556 5.492 -4.997) 9.273 3.563 ( -6.880 3.321 16.133) 17.850 3.975 ( -0.492 1.696 1.752) 2.488 4.288 ( -8.690 3.504 20.330) 22.385 4.654 ( -2.622 6.232 -9.681) 11.808 5.087 ( -7.529 3.920 -3.748) 9.279 5.249 ( 4.129 3.898 -4.711) 7.378 5.349 ( 3.004 -5.790 -6.253) 9.036 5.911 ( -9.069 2.659 9.265) 13.235 6.107 ( -0.522 -3.698 13.725) 14.224 6.462 ( 0.636 12.649 3.812) 13.226 6.958 ( -0.019 5.408 -8.403) 9.992 7.206 ( 0.663 -0.105 -12.078) 12.096 7.825 ( -6.564 -22.538 7.321) 24.589 8.896 ( -0.939 8.387 3.912) 9.302 9.349 ( -2.052 1.313 -5.689) 6.189 9.524 ( 3.475 -5.675 -0.923) 6.718 10.113 ( 1.720 2.982 -4.043) 5.310 10.764 ( 15.567 -8.788 -4.316) 18.390 11.405 ( -9.717 10.586 12.833) 19.266 11.810 ( 6.752 -0.405 -1.640) 6.960 12.077 ( 1.945 -17.148 -5.120) 18.001 12.741 ( -5.546 2.925 -3.187) 7.034 12.941 ( 3.390 -2.461 7.894) 8.937 14.362 ( -8.862 4.441 -18.897) 21.339 18.386 ( -9.187 11.232 3.921) 15.031 18.555 ( 7.971 6.601 -9.434) 14.003 18.990 ( -21.727 -16.777 4.768) 27.861 19.378 ( -16.501 4.225 2.968) 17.290 20.688 ( 13.978 1.978 8.836) 16.655 22.230 ( 15.580 13.308 -8.516) 22.190 23.289 ( -2.733 -16.952 -4.520) 17.756 23.746 ( 2.980 1.216 0.903) 3.343 ======================= Grid point 108 (35/361) ======================= q-point: ( 0.30 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 6.780 0.251 18.111) 19.340 2.491 ( 10.785 -12.464 23.735) 28.897 3.338 ( 1.827 7.088 -3.547) 8.133 3.463 ( 3.715 6.454 -0.073) 7.447 3.728 ( 5.555 -1.352 12.412) 13.665 3.959 ( 2.688 4.560 -1.112) 5.409 4.440 ( -4.574 -2.505 9.029) 10.427 4.491 ( 8.019 -1.453 -6.851) 10.647 4.931 ( -11.382 0.731 3.568) 11.951 5.246 ( 1.650 2.226 -0.937) 2.925 5.433 ( 4.010 -5.391 7.119) 9.789 5.912 ( -5.077 0.558 9.964) 11.197 6.271 ( -5.798 -8.487 4.684) 11.295 6.365 ( 0.096 19.278 6.054) 20.206 6.752 ( -3.088 6.938 -9.421) 12.100 7.125 ( 3.609 1.067 -6.068) 7.140 7.986 ( -9.670 -20.821 6.469) 23.851 8.831 ( -0.423 10.965 1.705) 11.105 9.233 ( -3.388 1.474 -4.226) 5.614 9.653 ( 7.282 -0.742 2.349) 7.687 10.109 ( 0.978 -10.142 -3.122) 10.656 10.902 ( 6.610 5.699 -4.916) 10.017 11.365 ( -2.540 0.574 8.144) 8.551 11.895 ( 7.295 -0.043 -1.531) 7.454 12.218 ( 1.070 -15.999 -0.736) 16.052 12.570 ( -7.726 4.725 -3.702) 9.784 13.120 ( 5.930 -0.784 8.907) 10.729 13.972 ( -9.699 4.840 -16.910) 20.086 18.178 ( -7.374 6.556 -1.984) 10.065 18.585 ( 12.712 7.041 -4.371) 15.175 18.921 ( -17.223 -17.325 2.994) 24.611 19.134 ( -14.539 5.541 1.178) 15.604 20.940 ( 11.085 3.831 6.752) 13.533 22.249 ( 12.449 3.041 -8.586) 15.425 23.341 ( -0.228 -10.366 -3.011) 10.797 23.770 ( 1.721 2.685 0.579) 3.242 ======================= Grid point 109 (36/361) ======================= q-point: ( 0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 0.118 6.553 7.623) 10.053 2.965 ( 8.049 -5.708 15.865) 18.683 3.188 ( -3.400 6.078 -8.044) 10.639 3.429 ( 0.230 4.144 3.098) 5.179 3.663 ( -1.507 7.595 -8.608) 11.579 4.160 ( 5.435 -6.541 13.284) 15.773 4.455 ( 5.050 -7.173 -7.134) 11.307 4.558 ( 2.292 -0.098 -7.107) 7.468 4.854 ( -11.947 -4.049 8.914) 15.447 5.210 ( -1.227 -1.082 -4.617) 4.898 5.725 ( 0.047 -0.135 25.465) 25.465 5.973 ( -8.818 0.340 3.776) 9.599 6.026 ( -3.952 5.753 -5.907) 9.144 6.425 ( -0.674 5.476 8.573) 10.195 6.599 ( 0.373 2.889 -3.817) 4.802 7.130 ( 5.517 2.125 -1.931) 6.219 8.085 ( -8.877 -13.315 6.699) 17.348 8.744 ( -0.475 9.326 0.083) 9.339 9.154 ( -0.831 0.729 -1.606) 1.949 9.733 ( 1.092 -0.260 0.191) 1.139 10.270 ( 6.316 -16.007 0.860) 17.229 10.740 ( -1.967 17.564 -5.412) 18.484 11.519 ( 3.970 -5.249 7.450) 9.941 11.960 ( 5.147 0.638 -2.063) 5.581 12.308 ( -6.233 -3.931 0.808) 7.413 12.427 ( 0.439 -1.693 -1.586) 2.361 13.271 ( 2.600 -1.193 -3.143) 4.250 13.686 ( -2.881 3.229 -2.211) 4.860 18.052 ( -2.031 3.098 -1.029) 3.845 18.589 ( 6.796 6.409 -11.186) 14.574 18.879 ( -9.922 -13.933 -1.046) 17.137 18.986 ( -8.781 1.745 9.155) 12.805 21.058 ( 6.703 7.433 0.399) 10.017 22.323 ( 6.704 -5.492 -3.168) 9.227 23.397 ( 1.986 -5.646 -1.491) 6.168 23.761 ( 0.878 3.993 -0.073) 4.089 ======================= Grid point 110 (37/361) ======================= q-point: (-0.50 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( -4.906 14.976 -3.348) 16.110 2.803 ( -17.214 12.361 -9.655) 23.288 3.232 ( 5.749 1.037 2.741) 6.452 3.446 ( -1.433 -0.391 3.756) 4.039 3.701 ( 9.324 -9.708 1.926) 13.597 4.242 ( -10.776 0.067 -6.139) 12.402 4.379 ( -1.384 -0.108 -11.714) 11.796 4.657 ( 0.636 -12.126 15.215) 19.467 4.886 ( -3.721 -5.413 4.440) 7.928 5.121 ( -5.724 -2.853 -4.339) 7.729 5.568 ( -11.636 12.618 -5.027) 17.885 5.899 ( -4.761 1.513 5.390) 7.349 6.241 ( -0.951 -10.626 15.098) 18.486 6.387 ( -0.514 13.968 4.669) 14.737 6.649 ( 3.129 -5.756 4.610) 8.011 7.185 ( 6.106 2.145 1.071) 6.559 8.129 ( -3.988 2.126 6.571) 7.975 8.667 ( -1.662 0.874 -2.285) 2.957 9.167 ( 2.996 -0.471 1.199) 3.261 9.714 ( -5.052 -5.836 -2.424) 8.091 10.456 ( -0.920 12.983 0.137) 13.017 10.558 ( 9.243 -4.939 -2.978) 10.894 11.619 ( -7.534 1.530 7.193) 10.528 11.971 ( 1.850 1.352 -2.793) 3.612 12.285 ( 4.157 0.289 3.225) 5.269 12.509 ( 2.075 -4.121 3.096) 5.556 13.068 ( -6.955 1.548 -16.522) 17.992 13.851 ( 10.651 -2.704 12.048) 16.307 18.022 ( 0.251 -0.080 -2.153) 2.169 18.438 ( 4.633 3.874 -14.606) 15.805 18.871 ( -9.664 -10.397 3.318) 14.577 19.050 ( 2.217 0.014 8.265) 8.557 21.009 ( 2.734 9.385 -6.680) 11.840 22.443 ( -1.240 -11.485 3.613) 12.104 23.458 ( 3.317 -1.093 0.816) 3.586 23.730 ( 1.214 4.599 -0.972) 4.855 ======================= Grid point 111 (38/361) ======================= q-point: (-0.40 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -7.983 20.080 -7.403) 22.842 2.277 ( -21.023 18.972 -9.114) 29.748 3.294 ( -0.092 -1.374 -2.714) 3.044 3.495 ( -1.125 -4.874 1.615) 5.256 3.831 ( -19.904 4.014 -11.283) 23.229 3.896 ( 1.286 -8.637 -5.915) 10.547 4.228 ( -11.466 -2.229 0.284) 11.684 4.829 ( -10.202 0.575 5.551) 11.628 4.975 ( 1.530 -13.090 12.355) 18.065 5.119 ( 3.651 -4.655 0.413) 5.930 5.400 ( -0.739 0.809 0.621) 1.259 5.825 ( -4.903 2.010 -2.269) 5.764 6.288 ( -10.539 6.758 10.260) 16.187 6.397 ( -3.520 -3.835 4.182) 6.677 6.877 ( 5.271 -8.659 9.782) 14.088 7.301 ( 6.903 1.383 5.941) 9.212 8.078 ( 0.690 18.748 4.383) 19.266 8.640 ( -2.348 -9.375 -3.999) 10.459 9.255 ( 5.957 -0.632 1.440) 6.162 9.659 ( -6.418 -7.069 -1.977) 9.750 10.281 ( 1.083 16.129 -1.328) 16.219 10.735 ( 8.957 -6.177 -4.337) 11.713 11.498 ( -16.655 4.775 9.447) 19.734 11.923 ( -0.915 2.125 -3.426) 4.134 12.458 ( 7.752 3.437 8.146) 11.758 12.609 ( 0.631 -1.302 6.209) 6.375 12.783 ( -1.538 -0.726 -16.355) 16.443 14.202 ( 14.096 -5.027 10.974) 18.558 17.923 ( -0.436 -2.401 -17.783) 17.949 18.404 ( 9.555 2.431 -2.080) 10.076 18.869 ( -8.317 -6.710 4.631) 11.646 19.206 ( 6.153 -0.532 6.835) 9.212 20.824 ( -0.998 9.544 -11.707) 15.137 22.556 ( -10.226 -15.893 7.633) 20.382 23.541 ( 4.303 2.651 6.205) 8.003 23.694 ( 2.182 4.617 -1.976) 5.475 ======================= Grid point 112 (39/361) ======================= q-point: (-0.30 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -11.880 21.689 -4.336) 25.107 1.697 ( -22.079 24.510 -5.291) 33.410 2.822 ( -31.050 12.897 -27.890) 43.684 3.563 ( -9.472 -4.106 8.137) 13.145 3.610 ( -2.498 -7.990 5.690) 10.122 3.847 ( -6.849 -4.514 -4.782) 9.495 4.139 ( -9.807 -4.003 5.980) 12.164 4.848 ( 0.156 0.799 7.769) 7.811 5.182 ( 2.216 -8.713 1.401) 9.099 5.233 ( 5.300 -5.016 0.673) 7.329 5.496 ( -4.436 -11.083 11.265) 16.413 5.714 ( -2.912 1.267 -3.396) 4.650 6.210 ( -14.349 1.838 13.551) 19.821 6.405 ( -3.189 -5.447 -0.753) 6.357 7.094 ( -0.527 -8.769 5.739) 10.493 7.465 ( 5.298 0.703 6.874) 8.707 7.959 ( 6.524 27.983 4.924) 29.153 8.660 ( -3.029 -12.734 -3.119) 13.456 9.358 ( 7.497 -0.541 -1.398) 7.645 9.634 ( -2.092 -1.394 1.611) 2.986 10.182 ( 1.243 4.346 -3.248) 5.566 10.777 ( 5.241 1.188 -9.015) 10.496 11.366 ( -20.517 -1.064 15.782) 25.907 11.842 ( -1.645 2.015 -3.362) 4.251 12.415 ( -8.663 4.167 -2.474) 9.927 12.738 ( 5.392 -3.489 3.736) 7.430 12.789 ( 13.521 8.965 3.876) 16.679 14.563 ( 14.693 -5.675 7.383) 17.396 17.655 ( 0.383 -3.281 -30.369) 30.548 18.550 ( 10.397 2.568 4.490) 11.613 18.869 ( -4.389 -1.568 3.854) 6.048 19.370 ( 6.489 0.818 5.293) 8.414 20.563 ( -3.193 7.417 -12.938) 15.251 22.614 ( -18.532 -21.082 8.415) 29.304 23.659 ( 2.645 -0.088 -4.486) 5.209 23.699 ( 4.560 9.290 17.686) 20.492 ======================= Grid point 113 (40/361) ======================= q-point: (-0.20 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -17.786 19.605 4.759) 26.895 1.132 ( -23.281 27.942 3.314) 36.521 1.826 ( -44.795 18.833 -22.501) 53.550 3.558 ( -8.478 -6.248 5.045) 11.677 3.692 ( -11.144 -1.786 4.279) 12.070 3.789 ( 2.848 -4.583 1.810) 5.691 4.238 ( -7.776 -8.974 25.661) 28.275 4.919 ( 1.508 2.254 3.014) 4.054 5.276 ( 2.221 -6.886 -0.897) 7.291 5.347 ( 4.558 -3.799 0.339) 5.943 5.639 ( -2.980 -1.260 -2.205) 3.916 5.686 ( -9.926 -16.939 13.780) 23.987 6.214 ( -11.499 -4.514 15.439) 19.773 6.400 ( -4.261 -12.505 -4.059) 13.821 7.096 ( -12.151 -5.091 -1.478) 13.257 7.571 ( 5.334 0.993 1.038) 5.525 7.950 ( 17.545 30.902 8.249) 36.480 8.705 ( -3.989 -9.406 2.679) 10.562 9.428 ( 7.423 -1.722 -6.115) 9.770 9.645 ( 2.971 7.309 2.172) 8.183 10.155 ( -1.632 -11.674 -7.156) 13.789 10.655 ( -0.539 7.176 -10.560) 12.780 11.352 ( -25.730 -17.230 23.790) 39.049 11.778 ( -0.627 1.001 -2.220) 2.515 12.250 ( -5.492 0.265 -4.128) 6.876 12.858 ( 3.260 -2.612 2.043) 4.650 12.972 ( 21.244 26.339 10.495) 35.429 14.858 ( 13.006 -4.331 1.402) 13.780 17.290 ( -1.957 -0.867 -29.092) 29.170 18.711 ( 8.244 4.087 4.711) 10.337 18.855 ( 1.651 6.453 0.034) 6.661 19.475 ( 3.888 3.728 3.242) 6.288 20.342 ( -1.768 2.434 -9.677) 10.134 22.637 ( -25.450 -31.095 9.559) 41.303 23.636 ( 2.579 1.370 -3.421) 4.498 23.969 ( 4.390 5.650 28.857) 29.731 ======================= Grid point 114 (41/361) ======================= q-point: (-0.10 0.00 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -20.506 12.792 17.744) 29.983 0.588 ( -37.313 13.623 -6.609) 40.268 0.998 ( -32.104 28.342 36.903) 56.531 3.523 ( -6.318 -4.289 -0.974) 7.698 3.599 ( -5.254 1.480 2.483) 5.996 3.902 ( -0.408 -3.418 5.840) 6.779 4.737 ( 4.774 -21.150 22.891) 31.530 4.971 ( 7.631 6.304 12.566) 15.996 5.322 ( -5.000 -8.853 -5.611) 11.613 5.427 ( 3.005 2.683 -0.692) 4.088 5.519 ( -5.958 -3.857 -5.988) 9.286 5.953 ( -5.147 -32.408 18.040) 37.447 6.280 ( 1.277 9.524 8.995) 13.162 6.450 ( -26.886 -53.660 -0.937) 60.027 6.889 ( -19.892 -6.462 0.333) 20.918 7.620 ( 4.643 0.845 -5.224) 7.041 7.914 ( 22.566 48.596 -23.805) 58.630 8.773 ( -1.300 1.103 6.256) 6.484 9.459 ( 7.842 -0.695 -4.562) 9.099 9.621 ( 2.739 6.913 -2.045) 7.712 10.044 ( -23.072 -18.615 -17.168) 34.257 10.410 ( -4.281 13.207 -1.662) 13.982 11.562 ( -26.797 -49.259 19.061) 59.227 11.752 ( -0.423 -0.596 -1.192) 1.398 12.170 ( -1.146 0.071 -1.785) 2.123 12.916 ( 1.749 1.258 -2.814) 3.544 12.953 ( 21.057 53.069 -23.616) 61.786 14.998 ( 7.456 -1.379 -7.008) 10.325 17.427 ( 28.303 -15.630 65.064) 72.655 18.761 ( 15.499 25.833 -2.659) 30.243 18.847 ( 1.357 1.204 3.761) 4.175 19.491 ( 0.250 3.915 0.693) 3.983 20.253 ( 1.985 -0.991 -5.054) 5.520 22.734 ( -28.408 -49.626 11.725) 58.371 23.629 ( 2.383 0.456 -2.094) 3.205 24.337 ( -4.094 -10.500 2.449) 11.533 ======================= Grid point 116 (42/361) ======================= q-point: ( 0.10 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 13.108 -0.000 28.062) 30.972 1.754 ( 4.383 -0.000 32.018) 32.317 2.946 ( 30.012 -0.000 27.972) 41.026 3.506 ( 7.243 -0.000 -6.337) 9.624 3.593 ( -7.321 0.000 19.789) 21.100 3.986 ( -2.917 0.000 1.796) 3.425 4.323 ( -11.741 0.000 19.592) 22.840 4.723 ( -4.038 0.000 -8.761) 9.647 5.116 ( -4.985 0.000 -11.849) 12.855 5.268 ( 1.670 -0.000 -5.012) 5.283 5.306 ( 2.188 -0.000 -4.662) 5.150 5.961 ( -9.007 0.000 5.285) 10.443 6.029 ( -4.738 0.000 16.310) 16.984 6.650 ( 4.249 -0.000 4.905) 6.489 7.024 ( 2.074 -0.000 -5.523) 5.900 7.174 ( 0.669 -0.000 -14.567) 14.582 7.577 ( -8.679 0.000 12.107) 14.896 8.974 ( -0.558 0.000 4.021) 4.059 9.357 ( -2.927 0.000 -5.908) 6.593 9.460 ( 6.160 -0.000 -1.464) 6.331 10.173 ( -5.954 0.000 -4.094) 7.225 10.663 ( 25.430 -0.000 -6.638) 26.282 11.603 ( -11.477 0.000 19.981) 23.043 11.791 ( 7.994 -0.000 -8.285) 11.513 11.840 ( 1.647 -0.000 -4.989) 5.254 12.768 ( -5.698 0.000 -3.244) 6.557 12.916 ( 5.321 -0.000 9.659) 11.028 14.402 ( -10.069 0.000 -18.495) 21.058 18.544 ( -8.820 0.000 1.420) 8.934 18.618 ( 6.696 -0.000 -10.547) 12.493 18.777 ( -21.686 0.000 4.437) 22.135 19.417 ( -16.816 0.000 4.051) 17.297 20.715 ( 11.888 -0.000 11.467) 16.517 22.399 ( 10.903 -0.000 -17.274) 20.427 23.082 ( 1.847 -0.000 2.642) 3.224 23.758 ( 3.796 -0.000 0.877) 3.896 ======================= Grid point 117 (43/361) ======================= q-point: ( 0.20 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 10.111 9.694 25.606) 29.187 2.236 ( 4.874 -14.607 28.146) 32.083 3.451 ( 8.175 5.101 0.590) 9.654 3.513 ( 9.716 -0.829 -0.600) 9.769 3.772 ( -0.336 4.946 14.369) 15.200 3.958 ( 1.598 -3.393 -4.183) 5.618 4.423 ( 0.763 -0.794 11.928) 11.979 4.512 ( -5.329 3.415 -10.191) 11.996 4.901 ( -8.736 -2.886 -8.244) 12.353 5.250 ( -0.276 -0.833 -2.275) 2.439 5.383 ( 4.072 -0.579 10.502) 11.278 5.922 ( -6.782 0.470 7.830) 10.369 6.159 ( -3.410 -3.592 10.437) 11.553 6.642 ( -4.069 8.656 -1.611) 9.699 6.929 ( 1.793 13.595 -3.809) 14.232 7.107 ( 3.010 -3.947 -2.803) 5.701 7.622 ( -13.100 -16.383 9.218) 22.912 8.980 ( -0.510 5.067 2.065) 5.495 9.238 ( -4.924 -0.469 -4.046) 6.390 9.622 ( 13.389 -1.785 2.433) 13.725 10.022 ( -5.755 -1.285 -6.278) 8.613 10.936 ( 20.947 -0.536 -3.602) 21.261 11.534 ( -6.395 16.942 7.668) 19.665 11.879 ( 6.270 -12.052 -3.538) 14.038 11.906 ( 0.918 -8.260 2.179) 8.591 12.627 ( -7.733 1.680 -3.341) 8.590 13.108 ( 6.448 -0.428 8.133) 10.388 14.028 ( -11.851 1.558 -16.219) 20.148 18.313 ( -11.247 7.665 -1.419) 13.684 18.631 ( -9.861 -8.898 -1.145) 13.332 18.693 ( 10.528 -0.184 -4.856) 11.595 19.203 ( -16.182 2.005 0.814) 16.326 21.011 ( 9.995 2.872 13.381) 16.947 22.303 ( 9.463 2.361 -18.114) 20.573 23.175 ( 2.497 -6.317 1.361) 6.927 23.810 ( 2.788 1.305 0.759) 3.170 ======================= Grid point 118 (44/361) ======================= q-point: ( 0.30 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( 2.826 12.460 17.790) 21.903 2.772 ( 8.915 -14.854 21.230) 27.401 3.298 ( -8.029 5.998 -6.635) 12.020 3.549 ( -2.355 8.292 0.701) 8.649 3.791 ( 0.917 5.188 -9.381) 10.760 4.040 ( 2.730 -7.408 6.049) 9.946 4.350 ( 0.680 -2.871 -5.542) 6.278 4.560 ( 7.977 0.135 -7.172) 10.728 4.762 ( -9.765 -5.848 0.870) 11.415 5.192 ( -4.654 -0.793 -3.019) 5.604 5.681 ( 3.056 -3.040 26.153) 26.506 5.934 ( -5.059 -2.042 4.783) 7.255 6.134 ( -11.053 3.400 -3.718) 12.147 6.500 ( -2.472 3.034 3.522) 5.265 6.795 ( 2.979 16.353 -2.067) 16.750 7.161 ( 1.871 2.465 3.291) 4.518 7.746 ( -9.431 -22.525 9.067) 26.049 8.922 ( -1.498 9.010 1.131) 9.203 9.152 ( -2.911 -0.992 -1.690) 3.509 9.759 ( 0.719 3.209 -3.790) 5.018 10.031 ( 9.457 -11.217 1.927) 14.798 11.067 ( 9.684 16.472 -3.489) 19.424 11.477 ( 2.938 3.179 7.524) 8.680 11.968 ( 5.270 0.323 -1.428) 5.470 12.082 ( -0.114 -18.548 2.669) 18.740 12.460 ( -7.318 2.566 -2.748) 8.227 13.253 ( 4.358 -0.739 -2.365) 5.013 13.726 ( -7.620 1.327 -4.044) 8.728 18.127 ( -5.279 5.274 -0.635) 7.489 18.548 ( -8.122 -11.235 -8.427) 16.224 18.780 ( 9.602 4.037 -3.654) 11.039 19.014 ( -9.329 0.444 3.071) 9.831 21.215 ( 5.617 8.987 9.889) 14.495 22.222 ( 5.638 -5.441 -14.356) 16.355 23.285 ( 3.494 -5.759 1.223) 6.846 23.829 ( 1.704 3.071 0.635) 3.569 ======================= Grid point 119 (45/361) ======================= q-point: (-0.60 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -1.808 17.466 4.660) 18.167 2.952 ( -16.017 4.647 -5.011) 17.414 3.238 ( 8.068 -3.779 8.644) 12.413 3.466 ( -5.442 2.295 2.776) 6.526 3.599 ( -0.104 0.736 -7.514) 7.551 4.163 ( -11.724 -8.488 6.162) 15.731 4.372 ( 6.597 -3.474 -12.666) 14.698 4.504 ( -1.797 -2.167 -1.989) 3.447 4.776 ( 0.956 -6.116 2.489) 6.672 5.077 ( -7.033 -2.154 -3.601) 8.189 5.754 ( -13.804 7.981 -7.863) 17.779 5.926 ( -6.995 1.179 5.474) 8.960 6.072 ( -2.090 -7.979 19.306) 20.994 6.574 ( 2.147 -1.333 7.125) 7.560 6.673 ( 1.184 16.380 1.260) 16.471 7.205 ( 1.757 0.397 3.132) 3.613 7.947 ( -3.030 -17.934 7.620) 19.719 8.813 ( -2.815 11.277 0.873) 11.656 9.142 ( 0.187 -2.199 0.860) 2.369 9.638 ( -5.143 -2.591 -7.117) 9.155 10.353 ( 14.376 -7.926 5.280) 17.245 10.902 ( 2.447 26.174 -1.717) 26.344 11.633 ( 0.991 0.216 7.932) 7.996 11.991 ( 1.814 0.930 -2.135) 2.952 12.245 ( 0.470 -8.148 4.374) 9.260 12.395 ( 2.269 -5.450 -0.372) 5.916 13.093 ( -6.838 1.132 -15.818) 17.270 13.797 ( 6.815 -3.044 10.098) 12.557 18.042 ( -1.380 2.458 -2.732) 3.926 18.402 ( -4.814 -7.900 -11.843) 15.028 18.797 ( 0.999 2.602 2.015) 3.439 19.045 ( 5.160 -1.211 2.779) 5.985 21.221 ( 1.165 14.176 0.550) 14.235 22.223 ( -1.138 -13.396 -5.265) 14.438 23.400 ( 4.269 -4.157 1.606) 6.172 23.823 ( 1.622 4.915 0.759) 5.231 ======================= Grid point 120 (46/361) ======================= q-point: (-0.50 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -5.299 22.102 -4.006) 23.079 2.552 ( -20.188 11.501 -5.520) 23.881 3.318 ( 2.016 3.532 0.597) 4.110 3.424 ( -5.137 -2.410 1.583) 5.891 3.686 ( 3.188 -13.714 -3.052) 14.407 3.957 ( -20.925 7.160 -5.655) 22.828 4.176 ( -8.719 -1.949 -8.936) 12.636 4.640 ( -5.393 -15.669 10.128) 19.421 4.874 ( 1.950 -2.989 1.923) 4.054 5.027 ( 0.008 -5.486 0.708) 5.531 5.467 ( -6.850 5.561 -3.484) 9.486 5.842 ( -4.742 -0.320 -4.084) 6.266 6.218 ( -14.723 -4.648 13.617) 20.586 6.576 ( 0.043 12.774 3.036) 13.130 6.748 ( 4.471 -4.679 9.239) 11.280 7.298 ( 3.292 -1.512 6.070) 7.069 8.129 ( 1.353 -11.836 2.110) 12.098 8.675 ( -3.259 12.482 1.013) 12.940 9.210 ( 2.416 -4.224 2.041) 5.277 9.529 ( -4.706 -6.449 -5.471) 9.678 10.637 ( 10.303 0.875 4.035) 11.100 10.686 ( 3.820 22.482 -1.959) 22.888 11.600 ( -12.507 5.994 7.094) 15.578 11.955 ( -1.160 1.485 -2.662) 3.261 12.433 ( 7.838 -5.810 6.218) 11.570 12.558 ( 7.483 -5.155 5.732) 10.743 12.782 ( -7.269 0.831 -15.771) 17.386 14.093 ( 11.854 -6.890 8.657) 16.215 17.891 ( -2.959 -1.182 -17.488) 17.776 18.383 ( 2.887 -4.344 2.583) 5.820 18.833 ( 3.586 2.646 2.439) 5.080 19.190 ( 8.340 -1.461 3.423) 9.133 21.033 ( -2.766 14.116 -8.128) 16.522 22.269 ( -10.311 -16.771 2.406) 19.833 23.516 ( 4.475 -3.053 2.491) 5.962 23.814 ( 2.800 6.759 1.826) 7.540 ======================= Grid point 121 (47/361) ======================= q-point: (-0.40 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -8.536 24.406 -4.855) 26.307 2.083 ( -20.949 18.059 -3.564) 27.887 3.139 ( -15.702 21.484 -18.511) 32.415 3.435 ( -1.539 -10.282 5.284) 11.663 3.519 ( -16.230 -1.910 1.328) 16.396 3.742 ( -3.081 -6.563 -4.005) 8.283 4.039 ( -12.678 -6.852 4.120) 14.989 4.802 ( -5.481 -8.345 12.362) 15.890 4.984 ( -1.093 -10.217 4.782) 11.334 5.122 ( 3.360 -7.011 -0.872) 7.824 5.383 ( -2.246 -3.179 0.262) 3.901 5.730 ( -2.062 0.546 -5.655) 6.044 6.126 ( -19.604 -4.090 7.696) 21.454 6.521 ( 0.617 9.971 3.700) 10.653 6.946 ( 0.707 -7.176 6.688) 9.835 7.447 ( 3.521 -2.655 6.535) 7.884 8.236 ( 4.628 -4.503 -2.980) 7.112 8.554 ( -2.827 9.494 4.067) 10.708 9.309 ( 3.439 -4.774 0.015) 5.884 9.511 ( -2.186 -9.868 -1.146) 10.172 10.462 ( 1.762 25.364 -1.928) 25.499 10.800 ( 7.059 1.397 -0.801) 7.240 11.429 ( -16.527 6.355 8.933) 19.832 11.878 ( -2.555 1.901 -2.832) 4.261 12.459 ( -8.740 1.518 -9.582) 13.058 12.648 ( 3.284 -6.918 4.294) 8.779 12.878 ( 17.836 0.845 8.781) 19.898 14.424 ( 13.311 -9.694 4.645) 17.109 17.604 ( -3.507 -2.289 -24.491) 24.847 18.558 ( 6.959 -1.360 8.453) 11.033 18.903 ( 8.037 5.104 1.600) 9.655 19.374 ( 9.575 -0.531 4.634) 10.651 20.730 ( -6.016 11.300 -12.515) 17.903 22.263 ( -20.482 -18.752 5.324) 28.275 23.621 ( 2.901 -2.497 0.872) 3.926 23.855 ( 5.643 7.172 7.601) 11.877 ======================= Grid point 122 (48/361) ======================= q-point: (-0.30 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -11.048 25.464 -0.210) 27.758 1.561 ( -24.198 20.545 -4.318) 32.036 2.341 ( -25.886 37.047 -11.785) 46.706 3.417 ( -11.138 -9.968 1.931) 15.071 3.623 ( -1.353 -6.822 9.636) 11.883 3.695 ( -3.761 -4.394 -1.597) 6.000 4.063 ( -11.333 -10.308 16.918) 22.824 4.919 ( -3.325 -3.029 8.491) 9.609 5.082 ( -6.806 -14.630 1.325) 16.190 5.216 ( 2.315 -8.799 -0.764) 9.130 5.425 ( -5.456 -11.452 3.235) 13.091 5.646 ( -2.185 1.641 -3.473) 4.419 6.008 ( -13.335 -7.634 5.247) 16.237 6.496 ( 1.563 8.690 3.085) 9.353 7.001 ( -8.260 -4.833 0.974) 9.620 7.565 ( 4.272 -2.062 0.286) 4.752 8.283 ( 9.420 1.963 -6.344) 11.526 8.578 ( -0.782 2.203 13.622) 13.821 9.376 ( 3.974 -4.002 -3.546) 6.663 9.597 ( -2.123 -13.252 1.311) 13.485 10.222 ( -0.284 21.714 -5.742) 22.462 10.794 ( 0.554 7.876 -1.866) 8.113 11.269 ( -17.893 3.467 12.291) 21.983 11.800 ( -1.809 1.375 -2.266) 3.209 12.251 ( -5.528 0.061 -6.232) 8.330 12.786 ( 2.706 -5.739 2.107) 6.686 13.232 ( 19.881 5.368 10.027) 22.904 14.721 ( 12.729 -10.970 -1.420) 16.864 17.285 ( -3.585 0.266 -19.578) 19.905 18.748 ( 6.331 1.032 6.201) 8.922 19.010 ( 14.863 9.417 0.783) 17.613 19.550 ( 8.913 4.122 4.631) 10.857 20.411 ( -6.077 5.575 -12.245) 14.763 22.157 ( -31.821 -22.630 7.260) 39.716 23.648 ( 1.449 0.168 -1.846) 2.353 24.036 ( 6.541 2.364 13.827) 15.477 ======================= Grid point 123 (49/361) ======================= q-point: (-0.20 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( -14.256 24.102 5.887) 28.614 0.947 ( -20.092 25.580 -2.799) 32.647 1.695 ( -17.205 44.886 20.040) 52.080 3.398 ( -6.320 -9.696 0.340) 11.579 3.628 ( -4.889 1.645 2.329) 5.660 3.786 ( -0.931 -9.232 5.966) 11.031 4.307 ( -21.013 -22.219 33.054) 45.031 4.988 ( -1.642 -4.410 4.448) 6.476 5.052 ( -18.575 -17.048 -0.507) 25.218 5.332 ( 2.903 -9.629 0.045) 10.057 5.484 ( -7.774 -13.313 1.251) 15.467 5.522 ( -5.538 3.752 -0.582) 6.715 6.043 ( -2.812 -8.633 4.585) 10.172 6.484 ( 3.379 9.360 2.668) 10.303 6.854 ( -13.520 -0.576 0.390) 13.538 7.608 ( 4.254 -2.048 -6.591) 8.108 8.305 ( 12.981 5.029 -13.895) 19.669 8.758 ( 0.570 -2.468 9.631) 9.959 9.434 ( 6.460 -2.488 -0.277) 6.928 9.652 ( -10.236 -15.441 -1.483) 18.585 9.936 ( -1.748 20.971 -6.499) 22.024 10.658 ( -3.617 13.984 1.084) 14.485 11.192 ( -17.101 -2.307 17.854) 24.830 11.755 ( -0.226 0.419 -1.714) 1.779 12.166 ( -0.811 -0.366 -1.397) 1.656 12.867 ( 1.015 -4.399 -0.578) 4.552 13.453 ( 16.496 9.431 -15.408) 24.463 14.902 ( 9.375 -9.697 -10.880) 17.329 17.241 ( 5.032 -4.990 23.152) 24.212 18.845 ( 1.448 0.339 2.111) 2.582 19.176 ( 28.397 16.424 -2.611) 32.908 19.618 ( 2.931 9.990 2.770) 10.773 20.226 ( -0.301 -1.799 -7.914) 8.121 21.972 ( -45.667 -29.380 15.025) 56.342 23.641 ( 1.498 0.792 -1.516) 2.273 24.228 ( -1.544 -3.164 3.894) 5.250 ======================= Grid point 124 (50/361) ======================= q-point: (-0.10 0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -0.413 18.730 20.736) 27.946 0.799 ( 18.692 17.155 23.696) 34.716 1.598 ( -4.587 32.958 47.619) 58.094 3.418 ( 0.156 -6.199 -1.619) 6.409 3.610 ( -4.560 -0.829 6.313) 7.831 3.909 ( -3.044 -5.933 7.033) 9.692 4.361 ( -54.900 -21.076 25.825) 64.228 4.840 ( -2.174 -5.243 -8.081) 9.876 5.241 ( -0.387 -12.115 9.292) 15.273 5.401 ( 1.267 -0.352 -3.980) 4.192 5.464 ( -10.517 -21.002 -0.822) 23.503 5.580 ( 6.019 -1.941 12.017) 13.580 6.094 ( -6.838 -5.132 2.597) 8.935 6.472 ( -0.786 4.681 2.732) 5.477 6.815 ( 4.988 -1.501 5.227) 7.380 7.548 ( 0.153 -1.229 -11.398) 11.465 8.009 ( -0.327 31.435 -24.313) 39.742 8.794 ( -4.395 -4.655 6.111) 8.850 9.509 ( -3.785 -0.835 -3.387) 5.147 9.661 ( -3.073 1.491 -2.928) 4.499 9.823 ( 19.660 -1.641 2.663) 19.907 10.532 ( 1.857 16.065 2.353) 16.343 11.279 ( -14.615 -11.551 22.112) 28.913 11.741 ( 1.578 0.128 -1.879) 2.458 12.163 ( 1.937 2.888 -2.668) 4.383 12.864 ( -0.822 0.102 -6.214) 6.269 13.052 ( -1.511 25.449 -21.599) 33.413 14.890 ( 1.211 -6.191 -14.040) 15.392 18.048 ( 10.086 -36.241 29.004) 47.501 18.838 ( -4.764 -2.909 -0.966) 5.665 19.415 ( 11.989 8.545 -5.407) 15.683 19.592 ( 9.571 7.162 1.503) 12.048 20.220 ( 4.259 -4.678 -1.204) 6.440 21.909 ( -33.383 -36.050 28.316) 56.708 23.647 ( 1.990 0.621 -1.026) 2.323 23.871 ( -22.615 23.357 -19.279) 37.798 ======================= Grid point 127 (51/361) ======================= q-point: ( 0.20 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -2.976 0.000 22.343) 22.541 2.529 ( 14.922 -0.000 22.161) 26.716 3.361 ( -10.179 0.000 -7.064) 12.390 3.644 ( -0.838 0.000 0.123) 0.847 3.856 ( 3.881 -0.000 -13.077) 13.641 3.922 ( 0.066 -0.000 7.941) 7.941 4.348 ( -4.524 0.000 -5.910) 7.443 4.561 ( 10.478 -0.000 -7.205) 12.716 4.693 ( -6.565 0.000 -1.748) 6.794 5.185 ( -6.562 0.000 -0.937) 6.629 5.651 ( 2.821 -0.000 24.951) 25.110 5.915 ( -4.625 0.000 3.891) 6.043 6.159 ( -9.382 0.000 0.678) 9.406 6.530 ( -4.258 0.000 -1.490) 4.511 6.977 ( 7.670 -0.000 -9.239) 12.008 7.289 ( 4.011 -0.000 17.333) 17.791 7.403 ( -18.030 0.000 6.913) 19.310 9.016 ( -0.932 0.000 1.570) 1.826 9.132 ( -4.651 0.000 -1.520) 4.893 9.824 ( -6.954 0.000 -9.205) 11.537 9.896 ( 18.410 -0.000 5.852) 19.317 11.203 ( 19.112 -0.000 -0.119) 19.112 11.702 ( 8.675 -0.000 -9.942) 13.194 11.730 ( -10.672 0.000 17.555) 20.545 11.971 ( 5.194 -0.000 -1.026) 5.295 12.484 ( -8.500 0.000 -2.606) 8.890 13.246 ( 4.927 -0.000 -2.238) 5.412 13.737 ( -9.304 0.000 -4.520) 10.344 18.200 ( -8.713 0.000 1.144) 8.787 18.410 ( -6.553 0.000 -7.968) 10.316 18.833 ( 15.894 -0.000 -6.660) 17.233 19.011 ( -13.142 0.000 1.635) 13.244 21.309 ( 5.092 -0.000 15.694) 16.500 22.165 ( 4.818 -0.000 -21.192) 21.733 23.229 ( 4.380 -0.000 2.885) 5.245 23.857 ( 2.019 -0.000 0.657) 2.123 ======================= Grid point 128 (52/361) ======================= q-point: ( 0.30 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.515 ( -2.270 13.341 9.686) 16.642 2.938 ( -3.505 -6.515 4.481) 8.649 3.146 ( -1.873 -2.247 4.784) 5.608 3.524 ( -9.026 2.901 -1.392) 9.582 3.673 ( -4.307 4.595 -12.694) 14.171 3.995 ( -10.016 -8.000 8.174) 15.203 4.302 ( 3.727 -2.182 -3.266) 5.415 4.526 ( 3.860 1.560 -14.076) 14.679 4.694 ( 3.468 -2.586 2.145) 4.829 5.047 ( -9.602 -1.020 -3.203) 10.174 5.852 ( -6.954 3.647 -6.204) 10.008 5.911 ( -7.152 -2.966 -5.338) 9.405 5.993 ( -9.202 -0.886 29.322) 30.745 6.561 ( 2.077 -0.077 5.256) 5.652 6.945 ( 4.460 10.904 -4.466) 12.599 7.228 ( -8.146 3.459 7.425) 11.552 7.619 ( -0.015 -15.887 12.632) 20.297 8.979 ( -2.551 6.779 1.822) 7.469 9.093 ( -2.707 -3.244 1.037) 4.350 9.617 ( -5.314 -0.174 -10.253) 11.549 10.252 ( 18.229 -3.165 7.102) 19.818 11.341 ( 7.782 19.037 0.714) 20.578 11.662 ( 4.809 6.080 5.849) 9.711 11.959 ( -0.799 -19.530 6.662) 20.650 12.006 ( 3.727 -0.638 -3.097) 4.888 12.367 ( -2.929 0.058 -0.602) 2.990 13.106 ( -6.122 0.386 -15.614) 16.776 13.756 ( 4.019 -1.349 8.972) 9.923 18.111 ( -3.173 5.471 -2.385) 6.759 18.241 ( -5.791 -8.677 -8.356) 13.366 18.888 ( 1.274 5.819 1.290) 6.095 18.998 ( 9.625 -3.928 -2.967) 10.811 21.469 ( -0.738 11.532 11.168) 16.070 21.993 ( -0.448 -10.721 -17.293) 20.352 23.342 ( 4.905 -1.900 3.261) 6.189 23.884 ( 1.984 1.817 0.848) 2.821 ======================= Grid point 129 (53/361) ======================= q-point: (-0.60 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -4.571 18.955 -2.027) 19.603 2.685 ( -18.397 3.888 -3.162) 19.067 3.333 ( -7.661 -2.103 -2.502) 8.329 3.434 ( -0.149 -12.988 -6.285) 14.430 3.464 ( -0.535 5.405 5.708) 7.879 3.974 ( -19.318 -4.356 12.650) 23.499 4.258 ( -1.972 9.399 -18.751) 21.067 4.407 ( -1.399 -9.412 2.866) 9.938 4.815 ( 3.729 -2.786 0.886) 4.738 4.924 ( -4.152 -6.242 -2.028) 7.767 5.559 ( -13.379 4.027 -4.437) 14.660 5.822 ( -2.285 -1.300 -5.389) 5.996 6.162 ( -14.235 -2.158 19.018) 23.853 6.663 ( 3.507 -0.244 3.694) 5.099 6.834 ( -1.336 10.723 2.302) 11.049 7.259 ( -0.127 -2.344 6.016) 6.458 7.872 ( 1.207 -14.054 5.620) 15.184 8.894 ( -3.164 10.322 3.477) 11.342 9.124 ( -1.065 -5.024 2.062) 5.534 9.452 ( -2.883 -2.363 -9.180) 9.908 10.588 ( 14.945 -2.248 5.732) 16.164 11.193 ( 3.365 29.093 1.362) 29.319 11.694 ( -8.271 4.650 6.420) 11.457 11.974 ( -1.520 0.630 -2.136) 2.696 12.222 ( 3.499 -18.131 3.483) 18.791 12.480 ( 13.433 -2.776 5.869) 14.920 12.801 ( -9.286 0.990 -14.854) 17.545 13.982 ( 9.551 -4.989 6.838) 12.762 17.880 ( -5.104 -0.241 -18.814) 19.495 18.299 ( 1.969 -4.060 9.153) 10.205 18.920 ( 7.683 6.081 2.043) 10.009 19.147 ( 11.352 -3.490 -1.800) 12.012 21.314 ( -4.899 17.494 -6.195) 19.194 21.962 ( -9.072 -18.032 -1.305) 20.228 23.466 ( 4.525 -2.201 3.448) 6.100 23.907 ( 3.117 3.612 1.442) 4.984 ======================= Grid point 130 (54/361) ======================= q-point: (-0.50 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( -7.512 22.024 -5.021) 23.805 2.341 ( -18.354 11.820 -1.703) 21.897 3.225 ( -10.240 -10.334 -3.183) 14.892 3.346 ( -3.685 -7.736 -2.713) 8.988 3.591 ( 1.193 6.431 0.046) 6.541 3.738 ( -16.716 15.008 -4.808) 22.974 3.923 ( -13.760 -5.277 0.350) 14.742 4.580 ( -2.826 -13.333 11.069) 17.558 4.852 ( -4.149 -7.294 2.252) 8.689 4.996 ( 2.956 -6.965 -0.403) 7.577 5.342 ( -10.125 -1.829 -3.390) 10.833 5.744 ( 0.961 1.263 -5.511) 5.735 6.094 ( -19.469 -0.543 9.054) 21.478 6.671 ( 0.122 6.527 0.062) 6.529 6.869 ( 0.979 -1.236 7.650) 7.811 7.376 ( 1.783 -5.050 5.169) 7.443 8.030 ( 0.966 -12.535 -0.626) 12.588 8.801 ( -1.866 13.298 4.998) 14.328 9.193 ( -0.614 -7.590 1.631) 7.787 9.376 ( 0.014 -4.992 -5.585) 7.491 10.820 ( 9.906 0.961 2.819) 10.344 10.982 ( 2.927 31.429 0.854) 31.577 11.547 ( -14.264 6.548 6.288) 16.908 11.904 ( -3.218 0.966 -2.551) 4.219 12.430 ( 1.480 -10.405 -5.064) 11.666 12.520 ( -7.482 -2.716 -3.445) 8.673 12.848 ( 18.872 -3.051 9.924) 21.540 14.248 ( 11.401 -9.364 2.240) 14.923 17.576 ( -5.086 -1.009 -20.499) 21.145 18.527 ( 6.586 -1.639 13.109) 14.761 19.019 ( 14.040 7.410 -1.140) 15.916 19.344 ( 12.263 -2.949 3.172) 13.006 20.953 ( -8.509 13.688 -13.964) 21.325 21.950 ( -18.898 -16.739 4.232) 25.598 23.580 ( 3.094 -2.007 3.128) 4.836 23.954 ( 5.178 4.151 3.291) 7.407 ======================= Grid point 131 (55/361) ======================= q-point: (-0.40 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( -9.282 23.901 -1.886) 25.709 1.905 ( -19.676 19.407 -4.266) 27.964 2.986 ( -11.839 26.809 -9.490) 30.805 3.237 ( -15.556 -3.335 1.684) 15.999 3.445 ( 0.391 -12.386 3.593) 12.903 3.658 ( -2.086 -0.387 2.764) 3.484 3.887 ( -12.926 -9.142 12.033) 19.886 4.764 ( -4.854 -12.914 6.272) 15.155 4.884 ( -8.440 -8.338 5.330) 13.006 5.076 ( 1.325 -6.992 -0.926) 7.176 5.230 ( -7.863 -10.611 -2.690) 13.478 5.694 ( -0.360 3.416 -2.090) 4.020 5.934 ( -11.811 -2.164 3.219) 12.432 6.623 ( 1.125 5.805 0.249) 5.918 6.946 ( -4.130 -1.406 4.492) 6.261 7.492 ( 3.203 -6.092 -0.834) 6.933 8.131 ( 0.175 -11.563 -0.260) 11.568 8.752 ( 1.532 11.721 6.509) 13.494 9.263 ( -1.921 -9.371 0.042) 9.566 9.397 ( 1.471 -6.795 -2.243) 7.305 10.725 ( 2.748 31.982 -2.699) 32.214 10.918 ( 3.158 6.174 2.609) 7.410 11.373 ( -13.769 6.875 7.875) 17.288 11.821 ( -2.943 0.870 -2.332) 3.854 12.254 ( -5.198 0.195 -7.843) 9.412 12.646 ( 1.831 -10.662 2.219) 11.043 13.241 ( 16.295 -2.680 9.109) 18.860 14.500 ( 11.143 -12.978 -3.351) 17.430 17.296 ( -3.621 0.810 -14.690) 15.151 18.763 ( 5.980 0.721 8.551) 10.460 19.163 ( 19.414 7.815 -1.261) 20.966 19.602 ( 14.287 1.583 7.143) 16.051 20.539 ( -10.564 8.665 -15.566) 20.711 21.823 ( -28.165 -15.932 5.206) 32.775 23.645 ( 1.024 -0.406 1.108) 1.562 24.066 ( 6.062 1.261 5.949) 8.587 ======================= Grid point 132 (56/361) ======================= q-point: (-0.30 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -12.038 24.384 1.380) 27.229 1.432 ( -8.919 28.232 1.075) 29.626 2.479 ( -9.571 42.241 7.906) 44.028 3.194 ( -7.821 -12.852 1.872) 15.161 3.573 ( -2.205 -11.618 1.399) 11.908 3.681 ( -1.733 1.449 5.664) 6.098 3.995 ( -20.303 -14.459 24.689) 35.083 4.775 ( -8.979 -12.647 -6.179) 16.696 4.887 ( -6.641 -8.212 2.464) 10.845 5.170 ( 0.621 -9.124 2.706) 9.537 5.262 ( -3.275 -12.603 2.158) 13.199 5.600 ( -4.358 4.352 0.800) 6.211 5.938 ( 0.704 -4.181 2.536) 4.940 6.610 ( 3.640 4.819 -0.092) 6.040 6.872 ( -9.584 2.648 1.599) 10.071 7.540 ( 3.893 -5.581 -8.160) 10.625 8.251 ( 2.016 -8.679 2.671) 9.302 8.761 ( 0.625 3.737 0.152) 3.792 9.316 ( -3.449 -11.376 1.296) 11.958 9.458 ( 1.188 -4.693 0.305) 4.851 10.429 ( 2.058 32.107 -4.307) 32.460 10.882 ( -1.541 10.989 3.389) 11.603 11.253 ( -10.758 6.426 11.102) 16.741 11.763 ( -0.910 0.327 -1.923) 2.153 12.161 ( -0.349 -0.147 -1.496) 1.543 12.757 ( 0.693 -8.339 -0.639) 8.392 13.492 ( 8.619 -2.305 -4.003) 9.779 14.682 ( 8.773 -14.168 -10.371) 19.628 17.203 ( 2.144 -0.317 6.817) 7.153 18.853 ( 1.252 0.494 -0.610) 1.478 19.383 ( 23.070 8.433 -0.661) 24.571 19.819 ( 8.967 11.888 6.564) 16.273 20.199 ( -5.224 -0.835 -12.265) 13.357 21.609 ( -32.172 -14.807 9.039) 36.551 23.655 ( 0.361 0.738 -0.144) 0.834 24.188 ( 1.040 -1.769 2.204) 3.011 ======================= Grid point 133 (57/361) ======================= q-point: (-0.20 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 11.446 22.557 15.061) 29.439 1.203 ( 1.394 27.937 8.579) 29.258 2.248 ( -2.672 38.133 29.590) 48.341 3.263 ( -0.146 -11.114 0.462) 11.124 3.592 ( -5.826 -2.096 2.639) 6.731 3.772 ( -3.065 -7.658 9.248) 12.392 4.070 ( -30.456 -12.361 27.017) 42.548 4.691 ( -0.805 -10.470 -10.065) 14.545 4.964 ( -1.126 -14.975 3.210) 15.357 5.267 ( -1.959 -8.461 -1.462) 8.807 5.356 ( 2.179 -5.128 1.035) 5.667 5.599 ( 2.002 2.530 8.614) 9.198 6.002 ( -3.629 -4.736 2.717) 6.556 6.591 ( -1.701 6.885 -1.085) 7.174 6.791 ( 1.257 -0.584 2.885) 3.201 7.497 ( 0.863 -4.173 -11.872) 12.614 8.329 ( 4.578 7.249 -6.965) 11.046 8.672 ( -8.247 -6.044 0.392) 10.232 9.403 ( -2.091 -12.636 -2.073) 12.975 9.539 ( 3.003 -3.410 4.143) 6.149 10.149 ( 4.118 27.686 -3.501) 28.208 10.801 ( -0.112 13.696 4.464) 14.405 11.233 ( -9.015 3.440 15.687) 18.417 11.744 ( 1.689 0.114 -1.961) 2.591 12.191 ( 3.651 1.146 1.945) 4.293 12.796 ( -0.787 -6.193 -3.370) 7.095 13.347 ( -3.472 7.827 -19.977) 21.735 14.727 ( 3.326 -11.810 -15.485) 19.756 17.590 ( 8.754 -16.252 28.075) 33.600 18.790 ( -4.618 -2.287 -6.424) 8.236 19.560 ( 8.645 6.667 -1.731) 11.054 19.719 ( -7.791 7.329 -1.716) 10.833 20.187 ( 10.004 1.673 -1.167) 10.209 21.532 ( -12.644 -12.954 15.802) 24.028 23.653 ( 0.816 0.280 -0.332) 0.925 24.084 ( -9.704 5.254 -9.231) 14.387 ======================= Grid point 134 (58/361) ======================= q-point: (-0.10 0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 6.813 17.770 16.772) 25.368 1.514 ( 20.896 12.625 22.476) 33.184 2.465 ( 13.086 24.810 40.488) 49.255 3.372 ( 5.421 -7.713 -3.427) 10.031 3.540 ( -14.151 -2.005 10.316) 17.626 3.901 ( -1.702 -5.742 7.162) 9.336 4.127 ( -15.739 -7.408 24.060) 29.690 4.690 ( 2.238 -9.404 -8.879) 13.126 5.118 ( -3.739 -14.325 0.809) 14.827 5.242 ( 0.216 -5.027 -7.001) 8.621 5.408 ( 3.282 1.390 -3.148) 4.755 5.803 ( 3.678 -3.277 15.798) 16.548 5.985 ( -7.183 -4.000 3.625) 8.986 6.467 ( -5.126 4.355 -0.025) 6.726 6.919 ( 7.278 -5.396 -1.912) 9.259 7.364 ( -1.781 -2.396 -13.535) 13.860 8.070 ( -2.478 24.582 -4.344) 25.086 8.761 ( -2.235 -11.221 7.191) 13.514 9.404 ( -0.872 -3.811 -4.764) 6.163 9.596 ( -1.498 -0.094 -3.253) 3.582 10.053 ( 9.987 7.135 -2.128) 12.457 10.750 ( 5.786 13.723 0.647) 14.907 11.302 ( -9.823 -3.190 16.954) 19.852 11.759 ( 4.341 0.332 -2.098) 4.833 12.218 ( 4.373 8.369 -3.524) 10.079 12.779 ( -1.346 -3.717 -2.725) 4.802 12.992 ( -5.083 10.654 -6.815) 13.630 14.616 ( -3.373 -8.178 -17.960) 20.020 18.148 ( 4.570 -19.497 16.212) 25.765 18.642 ( -7.047 -5.904 -9.412) 13.157 19.378 ( -18.350 13.452 2.384) 22.877 19.536 ( -16.817 -2.601 2.866) 17.257 20.388 ( 17.600 0.691 3.296) 17.919 21.864 ( 15.000 -17.128 7.306) 23.911 23.622 ( -5.775 9.767 -8.288) 14.052 23.723 ( -2.966 8.515 -3.010) 9.506 ======================= Grid point 138 (59/361) ======================= q-point: ( 0.30 -0.70 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -5.317 0.000 0.874) 5.388 2.696 ( -16.660 0.000 -4.420) 17.237 3.270 ( 1.938 -0.000 -2.850) 3.447 3.331 ( -12.011 0.000 -6.441) 13.629 3.528 ( -3.018 0.000 3.342) 4.503 3.916 ( -17.468 0.000 16.677) 24.151 4.320 ( 1.890 -0.000 -0.313) 1.916 4.370 ( 0.861 -0.000 -16.585) 16.608 4.797 ( 6.282 -0.000 2.573) 6.788 4.844 ( -9.915 0.000 -6.102) 11.643 5.594 ( -16.752 0.000 -4.948) 17.468 5.811 ( 0.265 -0.000 -5.272) 5.279 6.141 ( -14.352 0.000 20.822) 25.290 6.665 ( 3.608 -0.000 5.311) 6.420 6.947 ( -2.279 0.000 -4.604) 5.137 7.235 ( -2.618 0.000 6.513) 7.019 7.727 ( 2.369 -0.000 10.129) 10.402 9.014 ( -1.900 0.000 2.641) 3.253 9.049 ( -3.757 0.000 3.333) 5.022 9.434 ( -2.284 0.000 -10.711) 10.952 10.568 ( 16.175 -0.000 6.670) 17.496 11.539 ( 0.360 -0.000 3.889) 3.906 11.839 ( 9.186 -0.000 -1.353) 9.285 11.860 ( -10.869 0.000 10.792) 15.317 11.988 ( 0.707 -0.000 -4.288) 4.346 12.457 ( 12.914 -0.000 6.058) 14.264 12.811 ( -9.378 0.000 -14.813) 17.532 13.936 ( 8.596 -0.000 6.183) 10.588 17.878 ( -6.103 0.000 -19.804) 20.723 18.261 ( 2.936 -0.000 11.791) 12.152 19.000 ( 4.250 -0.000 8.163) 9.203 19.092 ( 16.305 -0.000 -9.673) 18.958 21.626 ( -5.459 0.000 -23.615) 24.238 21.647 ( -8.769 0.000 15.305) 17.639 23.446 ( 4.627 -0.000 4.011) 6.123 23.939 ( 3.156 -0.000 1.192) 3.374 ======================= Grid point 140 (60/361) ======================= q-point: (-0.60 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.376 ( -10.058 13.696 -2.796) 17.221 2.489 ( -11.339 3.338 0.439) 11.828 3.075 ( -13.653 -4.573 -7.790) 16.371 3.158 ( -6.768 -9.538 -6.783) 13.520 3.628 ( 2.175 0.850 5.607) 6.074 3.840 ( -17.126 -2.025 8.274) 19.127 4.128 ( -5.227 19.632 -7.973) 21.825 4.385 ( -1.207 -9.172 6.872) 11.524 4.693 ( -5.608 -8.981 -5.899) 12.121 4.905 ( 1.737 -2.722 3.818) 5.000 5.318 ( -16.083 -0.742 -3.742) 16.529 5.769 ( 3.145 1.133 -4.844) 5.886 6.085 ( -20.259 -0.459 10.608) 22.872 6.762 ( 3.201 3.963 2.278) 5.580 6.868 ( -1.516 -0.293 0.442) 1.606 7.295 ( -0.525 -3.114 4.414) 5.427 7.867 ( 1.167 -5.082 4.763) 7.062 8.982 ( -2.819 7.139 4.843) 9.076 9.078 ( -2.327 -5.113 2.278) 6.062 9.318 ( 1.372 -1.798 -8.241) 8.546 10.830 ( 11.504 0.251 4.873) 12.496 11.472 ( -1.014 17.092 1.851) 17.222 11.688 ( -9.852 14.175 6.036) 18.287 11.913 ( -3.621 0.065 -2.343) 4.313 12.118 ( 4.957 -21.894 0.061) 22.448 12.518 ( -9.460 0.330 -11.109) 14.595 12.803 ( 18.834 -1.454 10.402) 21.565 14.126 ( 10.131 -3.800 1.005) 10.867 17.566 ( -5.495 -0.249 -18.683) 19.476 18.507 ( 7.458 -0.584 15.280) 17.013 19.149 ( 15.643 7.009 -3.433) 17.481 19.269 ( 13.634 -5.363 3.458) 15.054 21.182 ( -10.112 10.182 -20.509) 25.031 21.691 ( -17.060 -10.894 9.235) 22.249 23.555 ( 3.207 -0.771 4.238) 5.370 24.003 ( 4.700 1.386 1.507) 5.126 ======================= Grid point 141 (61/361) ======================= q-point: (-0.50 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -10.108 18.880 -1.544) 21.471 2.242 ( -11.254 17.547 -0.760) 20.860 2.902 ( -11.794 -13.496 -3.741) 18.310 3.181 ( -2.649 -15.099 2.520) 15.535 3.600 ( -9.452 10.028 -6.627) 15.291 3.684 ( -5.016 2.139 -2.711) 6.089 3.834 ( -7.884 15.191 13.549) 21.829 4.565 ( -2.636 -9.306 8.418) 12.822 4.681 ( -6.125 -15.277 0.084) 16.460 4.977 ( 0.075 -4.036 -1.244) 4.224 5.084 ( -15.585 -5.205 0.193) 16.432 5.756 ( 1.427 3.294 -1.530) 3.902 5.902 ( -14.168 -1.760 2.133) 14.435 6.720 ( 2.071 5.655 -3.618) 7.025 6.928 ( -1.010 -1.586 5.118) 5.453 7.372 ( 0.417 -6.376 1.018) 6.470 7.966 ( -0.542 -6.520 3.511) 7.425 8.934 ( -1.498 8.478 3.740) 9.387 9.109 ( -2.434 -6.723 -0.474) 7.166 9.316 ( 3.236 -3.600 -2.048) 5.256 10.987 ( 5.967 3.011 3.388) 7.494 11.287 ( 1.082 26.105 -0.854) 26.141 11.504 ( -11.398 10.459 7.059) 17.004 11.829 ( -3.474 0.156 -2.605) 4.345 12.244 ( -2.633 -3.137 -8.717) 9.631 12.406 ( -0.717 -15.016 2.142) 15.185 13.183 ( 14.859 -2.950 8.907) 17.573 14.302 ( 9.981 -8.540 -4.235) 13.802 17.309 ( -3.302 0.601 -12.658) 13.096 18.773 ( 6.172 0.449 9.974) 11.738 19.281 ( 20.544 5.288 -5.173) 21.835 19.606 ( 17.422 -0.833 10.868) 20.551 20.697 ( -13.027 8.274 -19.835) 25.131 21.587 ( -24.523 -10.486 6.561) 27.466 23.637 ( 0.945 -0.456 3.318) 3.480 24.084 ( 5.317 0.696 1.912) 5.693 ======================= Grid point 142 (62/361) ======================= q-point: (-0.40 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( -8.426 22.661 1.629) 24.232 1.918 ( -5.466 26.387 2.278) 27.043 2.886 ( -5.437 -11.207 1.368) 12.531 3.191 ( -9.477 23.806 -2.967) 25.794 3.336 ( -0.848 -13.093 3.727) 13.639 3.703 ( -3.052 -3.448 8.131) 9.344 3.823 ( -11.513 0.965 15.541) 19.365 4.586 ( -5.318 -8.799 -5.212) 11.527 4.736 ( -7.892 -8.539 -1.157) 11.684 4.963 ( -1.162 -14.916 0.379) 14.966 5.088 ( -5.852 -5.957 9.583) 12.711 5.666 ( -5.182 3.011 0.868) 6.055 5.881 ( 1.639 -2.441 1.288) 3.210 6.672 ( 4.176 2.881 -5.031) 7.144 6.928 ( -5.919 2.876 3.549) 7.477 7.426 ( 2.283 -6.563 -5.227) 8.695 8.080 ( -1.519 -9.228 7.294) 11.860 8.865 ( -0.606 6.943 -2.950) 7.567 9.129 ( -2.840 -8.603 -0.402) 9.069 9.398 ( 2.628 -3.108 3.218) 5.189 10.994 ( 3.499 23.600 -3.357) 24.093 11.054 ( -1.400 14.948 3.204) 15.352 11.376 ( -9.143 7.559 9.074) 14.936 11.765 ( -1.339 -0.067 -2.236) 2.607 12.161 ( 0.162 0.061 -1.454) 1.464 12.561 ( 0.265 -14.294 -0.332) 14.301 13.427 ( 5.779 -4.083 0.668) 7.108 14.441 ( 8.249 -12.183 -9.585) 17.560 17.209 ( 1.850 0.676 0.948) 2.186 18.861 ( 1.316 0.407 -2.805) 3.125 19.498 ( 20.034 4.842 -0.839) 20.628 19.988 ( 18.857 5.707 12.825) 23.508 20.223 ( -13.941 4.492 -17.924) 23.147 21.397 ( -24.793 -9.698 7.057) 27.542 23.665 ( -0.751 0.394 1.438) 1.670 24.162 ( 2.429 -1.089 0.383) 2.690 ======================= Grid point 143 (63/361) ======================= q-point: (-0.30 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 5.297 22.626 9.595) 25.140 1.709 ( 2.625 28.774 5.674) 29.445 2.859 ( -1.219 27.100 12.904) 30.040 3.044 ( -1.253 -12.136 2.063) 12.374 3.470 ( -1.306 -10.677 3.269) 11.243 3.737 ( -3.351 3.256 5.975) 7.585 3.886 ( -18.917 -7.967 23.721) 31.369 4.508 ( -0.828 -9.571 -10.948) 14.565 4.727 ( -1.120 -11.932 -2.045) 12.158 5.108 ( -1.567 -9.920 3.780) 10.731 5.226 ( 1.471 -8.764 7.205) 11.440 5.646 ( 0.508 2.501 5.350) 5.927 5.938 ( -0.964 -2.501 2.214) 3.477 6.660 ( 4.588 0.717 -6.083) 7.653 6.831 ( -5.678 5.075 2.867) 8.137 7.413 ( 1.102 -4.767 -9.727) 10.888 8.262 ( -0.149 -11.261 9.528) 14.752 8.702 ( -3.513 7.518 -8.478) 11.863 9.186 ( 0.196 -10.654 -1.486) 10.759 9.497 ( -0.186 -2.262 5.734) 6.167 10.691 ( 2.346 32.509 -5.694) 33.087 11.001 ( -2.450 8.863 5.114) 10.522 11.329 ( -6.791 6.333 11.199) 14.548 11.744 ( 1.887 -0.137 -2.176) 2.883 12.213 ( 4.847 1.355 4.419) 6.698 12.648 ( -0.812 -10.899 -2.826) 11.289 13.394 ( -4.963 -0.844 -10.612) 11.745 14.500 ( 4.595 -13.048 -14.687) 20.175 17.411 ( 7.920 -5.640 17.427) 19.956 18.759 ( -4.153 -1.295 -10.668) 11.520 19.648 ( 4.374 3.784 0.727) 5.829 19.813 ( -12.043 2.596 -13.733) 18.449 20.296 ( 15.420 10.335 9.028) 20.642 21.347 ( -6.143 -9.231 10.627) 15.359 23.656 ( -1.086 0.036 0.095) 1.090 24.133 ( -4.064 1.203 -4.889) 6.471 ======================= Grid point 144 (64/361) ======================= q-point: (-0.20 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 7.097 26.432 6.903) 28.226 1.744 ( 18.124 13.372 16.422) 27.874 2.904 ( 6.800 21.839 25.536) 34.283 3.202 ( 5.373 -11.071 -0.726) 12.328 3.512 ( -8.385 -1.701 5.979) 10.438 3.798 ( 0.198 -4.641 7.162) 8.537 3.997 ( -12.305 -6.114 22.899) 26.705 4.510 ( 4.423 -10.336 -8.709) 14.221 4.851 ( 0.722 -14.599 1.597) 14.704 5.165 ( -0.535 -4.680 -1.968) 5.105 5.390 ( 3.646 -3.683 3.009) 5.993 5.761 ( 3.303 -1.708 10.338) 10.986 5.934 ( -5.919 -1.260 2.811) 6.672 6.579 ( -2.868 6.169 -3.305) 7.564 6.829 ( 2.853 -3.710 -1.053) 4.797 7.310 ( -1.433 -3.056 -12.427) 12.877 8.421 ( 2.709 13.297 -1.771) 13.685 8.526 ( -6.412 -12.497 4.659) 14.799 9.266 ( 1.675 -10.475 -4.178) 11.401 9.557 ( -1.890 -1.768 3.650) 4.475 10.397 ( 3.540 27.233 -4.956) 27.906 10.947 ( -1.622 8.519 3.385) 9.309 11.326 ( -6.853 4.696 11.795) 14.427 11.764 ( 4.918 0.155 -2.490) 5.515 12.330 ( 6.945 4.959 3.263) 9.136 12.678 ( -1.507 -7.630 -2.218) 8.087 13.125 ( -9.206 3.936 -10.234) 14.317 14.439 ( -0.725 -11.312 -18.301) 21.528 17.858 ( 7.994 -12.763 20.342) 25.310 18.552 ( -7.082 -4.157 -12.995) 15.372 19.480 ( -19.260 -2.741 -1.154) 19.488 19.581 ( -9.293 8.361 -0.957) 12.537 20.487 ( 16.401 10.333 4.074) 19.808 21.636 ( 15.187 -10.428 8.205) 20.167 23.641 ( -1.244 -1.230 -1.371) 2.222 23.919 ( -7.238 8.620 -7.954) 13.783 ======================= Grid point 145 (65/361) ======================= q-point: (-0.10 0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( 8.731 15.334 12.707) 21.744 2.128 ( 16.518 9.461 21.257) 28.534 3.192 ( 12.070 5.982 14.182) 19.560 3.342 ( 6.944 -5.800 -1.733) 9.212 3.515 ( -6.233 0.554 15.775) 16.970 3.906 ( 1.333 -6.511 -0.483) 6.664 4.225 ( -1.753 -2.464 23.398) 23.592 4.547 ( 1.751 -5.431 -6.688) 8.792 4.963 ( -5.901 -9.843 2.832) 11.821 5.178 ( 3.117 -3.727 -2.542) 5.484 5.441 ( 3.343 3.679 -2.278) 5.468 5.888 ( -7.474 0.034 7.464) 10.563 6.024 ( 5.639 -10.292 12.277) 16.983 6.435 ( -5.189 7.155 -1.268) 8.928 6.851 ( -1.734 -6.268 -6.791) 9.403 7.176 ( 1.208 -2.725 -11.706) 12.079 8.215 ( -5.083 19.598 1.828) 20.329 8.696 ( -0.868 -13.734 4.512) 14.482 9.292 ( -0.939 -5.700 -4.844) 7.539 9.580 ( 1.186 0.358 1.446) 1.904 10.214 ( 4.468 15.871 -3.574) 16.871 10.892 ( 0.969 4.576 -1.314) 4.859 11.332 ( -6.388 2.298 9.993) 12.081 11.817 ( 7.088 0.297 -2.257) 7.445 12.335 ( 4.299 11.525 -3.149) 12.698 12.670 ( -5.714 -4.850 -2.734) 7.978 12.980 ( -0.498 1.245 4.908) 5.088 14.249 ( -6.080 -8.203 -19.623) 22.120 18.208 ( -3.257 -8.821 8.544) 12.705 18.413 ( 4.573 -8.538 -8.633) 12.975 19.258 ( -26.857 2.955 13.313) 30.120 19.306 ( -8.941 6.247 -7.917) 13.478 20.692 ( 15.602 3.351 3.449) 16.327 22.027 ( 18.263 -9.569 -0.073) 20.618 23.532 ( -4.656 8.127 -6.881) 11.622 23.742 ( 0.169 2.486 -0.603) 2.564 ======================= Grid point 150 (66/361) ======================= q-point: ( 0.40 -0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.283 ( -10.174 0.000 -0.168) 10.176 2.412 ( -6.307 0.000 2.776) 6.891 2.763 ( -13.510 0.000 -6.689) 15.075 2.995 ( -4.050 0.000 1.495) 4.317 3.638 ( -3.021 0.000 -1.687) 3.460 3.668 ( -10.917 0.000 -0.713) 10.941 4.273 ( -6.311 0.000 2.625) 6.835 4.287 ( -2.631 0.000 9.729) 10.078 4.522 ( -3.233 0.000 -1.771) 3.686 4.940 ( -0.322 0.000 -1.826) 1.855 5.042 ( -18.891 0.000 3.310) 19.179 5.792 ( 4.684 -0.000 -1.908) 5.058 5.880 ( -17.993 0.000 2.258) 18.134 6.797 ( 0.570 -0.000 -6.272) 6.297 6.891 ( 3.362 -0.000 3.916) 5.162 7.309 ( -2.429 0.000 4.519) 5.130 7.908 ( -0.401 0.000 4.324) 4.342 9.026 ( -3.079 0.000 1.714) 3.524 9.041 ( -1.867 0.000 1.473) 2.378 9.276 ( 3.851 -0.000 -2.748) 4.731 11.013 ( 6.524 -0.000 4.334) 7.832 11.461 ( -8.458 0.000 2.501) 8.820 11.801 ( -4.730 0.000 4.743) 6.699 11.830 ( -3.384 0.000 -3.253) 4.694 12.047 ( 6.639 -0.000 -2.320) 7.033 12.301 ( -6.862 0.000 -5.392) 8.727 13.155 ( 14.488 -0.000 8.875) 16.990 14.224 ( 9.552 -0.000 -4.463) 10.544 17.315 ( -3.146 0.000 -12.114) 12.516 18.777 ( 6.276 -0.000 10.424) 12.168 19.332 ( 20.730 -0.000 -8.449) 22.386 19.593 ( 18.323 -0.000 14.005) 23.062 20.782 ( -13.664 0.000 -23.206) 26.930 21.485 ( -23.182 0.000 9.037) 24.881 23.632 ( 0.950 -0.000 4.093) 4.202 24.090 ( 4.994 -0.000 0.660) 5.037 ======================= Grid point 152 (67/361) ======================= q-point: (-0.50 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.096 ( -6.177 15.139 1.332) 16.405 2.320 ( -3.506 16.316 4.644) 17.322 2.641 ( -7.124 -11.944 2.683) 14.164 3.044 ( -3.532 -13.314 0.906) 13.804 3.501 ( -6.117 6.154 -3.578) 9.386 3.603 ( -3.997 -3.903 4.958) 7.470 4.074 ( -3.760 21.389 7.505) 22.978 4.450 ( -5.612 -9.259 -0.667) 10.848 4.563 ( -3.978 -10.307 9.220) 14.390 4.742 ( -4.323 -6.450 -12.106) 14.382 5.025 ( -9.339 -1.642 13.568) 16.553 5.702 ( -6.721 1.077 0.182) 6.809 5.851 ( 2.952 -0.915 1.242) 3.331 6.718 ( 3.573 1.892 -9.266) 10.110 6.954 ( -0.462 0.251 1.997) 2.065 7.339 ( -1.909 -2.724 3.053) 4.515 7.961 ( -2.186 -3.709 5.414) 6.917 8.972 ( -1.805 4.230 -2.640) 5.303 9.024 ( -1.185 -3.371 -1.805) 4.003 9.349 ( 2.345 -2.015 4.680) 5.609 11.107 ( 0.810 2.175 4.402) 4.977 11.375 ( -4.114 5.476 1.934) 7.117 11.640 ( -3.293 22.217 0.757) 22.473 11.763 ( -1.484 -0.023 -2.385) 2.809 12.146 ( 2.441 -3.880 -1.706) 4.891 12.273 ( -1.477 -14.242 1.523) 14.399 13.372 ( 4.905 -1.765 2.302) 5.698 14.286 ( 7.960 -4.753 -9.119) 13.004 17.220 ( 1.909 0.352 -1.040) 2.202 18.866 ( 1.424 0.149 -4.080) 4.324 19.556 ( 19.246 1.717 -1.991) 19.425 20.028 ( 17.211 0.361 11.427) 20.662 20.321 ( -11.313 4.199 -15.863) 19.931 21.271 ( -22.482 -4.095 7.230) 23.968 23.669 ( -1.429 0.098 2.506) 2.886 24.150 ( 3.086 -0.368 -0.813) 3.212 ======================= Grid point 153 (68/361) ======================= q-point: (-0.40 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 1.254 19.022 5.619) 19.874 2.194 ( 2.342 25.418 6.839) 26.426 2.773 ( -0.120 -14.259 6.153) 15.530 3.085 ( -3.733 -9.075 -1.760) 9.970 3.376 ( -1.543 3.674 2.671) 4.797 3.702 ( -3.127 -5.529 8.319) 10.467 3.978 ( -6.178 16.283 15.869) 23.561 4.371 ( -2.034 -5.670 -10.451) 12.063 4.561 ( -1.626 -5.712 -1.795) 6.204 4.882 ( -0.410 -15.907 8.614) 18.095 5.102 ( -1.225 -4.404 8.776) 9.895 5.680 ( 0.678 1.312 3.401) 3.708 5.910 ( 0.322 -0.826 2.986) 3.115 6.656 ( 5.692 -0.432 -10.642) 12.076 6.916 ( -4.752 3.369 1.105) 5.929 7.354 ( -0.674 -1.528 -1.855) 2.496 8.059 ( -3.200 -9.971 7.628) 12.955 8.844 ( -1.235 7.418 -6.058) 9.656 9.038 ( 0.509 -6.248 -2.188) 6.639 9.456 ( -0.642 -2.192 7.452) 7.795 11.111 ( -3.420 4.307 4.759) 7.273 11.232 ( 2.489 24.153 -6.329) 25.092 11.452 ( -6.857 9.719 7.769) 14.207 11.738 ( 2.094 -0.483 -2.685) 3.439 12.234 ( 5.723 0.583 5.774) 8.150 12.407 ( -1.105 -15.801 -0.589) 15.850 13.360 ( -5.862 -2.131 -5.825) 8.534 14.302 ( 5.163 -8.471 -13.568) 16.808 17.353 ( 7.609 -1.583 11.387) 13.786 18.743 ( -3.540 -0.613 -13.504) 13.974 19.703 ( 3.814 2.480 -0.427) 4.569 19.824 ( -12.753 -0.605 -17.676) 21.804 20.502 ( 18.108 11.251 15.569) 26.398 21.193 ( -6.310 -7.959 8.378) 13.167 23.655 ( -2.696 -0.103 0.439) 2.734 24.143 ( -1.101 0.214 -3.532) 3.706 ======================= Grid point 154 (69/361) ======================= q-point: (-0.30 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 11.433 12.734 10.341) 19.995 2.081 ( 5.612 27.177 3.744) 28.002 2.986 ( 6.101 -11.592 0.751) 13.121 3.135 ( 1.442 1.071 9.994) 10.155 3.448 ( 0.113 -4.815 6.736) 8.281 3.739 ( -4.524 -4.168 1.696) 6.381 4.027 ( -4.601 12.254 26.335) 29.408 4.345 ( 7.098 -8.004 -9.216) 14.120 4.629 ( -0.132 -9.698 3.167) 10.203 5.059 ( -0.731 -8.176 3.369) 8.873 5.286 ( 4.825 -7.025 7.349) 11.253 5.747 ( 2.355 0.074 4.845) 5.388 5.932 ( -2.924 0.534 3.309) 4.448 6.622 ( 5.140 -1.028 -9.714) 11.038 6.826 ( -4.627 2.376 0.474) 5.223 7.285 ( -1.939 1.164 -6.872) 7.235 8.220 ( -4.047 -16.305 7.114) 18.244 8.682 ( -0.050 11.542 -4.487) 12.384 9.094 ( 2.305 -8.381 -2.948) 9.179 9.535 ( -2.852 -0.985 7.496) 8.081 10.918 ( 2.378 30.095 -8.492) 31.360 11.055 ( -6.749 4.153 3.662) 8.730 11.425 ( -4.352 5.656 9.575) 11.942 11.762 ( 5.471 -0.511 -3.186) 6.351 12.387 ( 5.903 -0.399 2.688) 6.499 12.520 ( 0.725 -8.398 4.420) 9.518 13.144 ( -12.184 -0.965 -8.790) 15.055 14.244 ( 1.122 -9.968 -17.633) 20.287 17.696 ( 9.626 -6.070 18.028) 21.320 18.495 ( -6.976 -2.356 -15.876) 17.500 19.437 ( -15.935 -1.941 -9.978) 18.901 19.684 ( -6.519 3.595 0.875) 7.496 20.724 ( 12.758 15.509 7.349) 21.385 21.458 ( 13.944 -10.389 9.594) 19.860 23.617 ( -2.995 -1.350 -1.187) 3.493 24.025 ( -4.448 3.899 -6.255) 8.608 ======================= Grid point 155 (70/361) ======================= q-point: (-0.20 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 6.293 22.028 2.819) 23.082 2.257 ( 16.520 5.544 15.360) 23.229 3.139 ( 6.920 -7.741 -3.726) 11.031 3.285 ( 4.139 -2.263 2.478) 5.328 3.598 ( 0.306 4.557 20.476) 20.979 3.748 ( -3.001 -10.683 -3.005) 11.496 4.257 ( 4.666 7.371 25.681) 27.123 4.454 ( 8.801 -5.442 -3.716) 10.994 4.771 ( -3.239 -10.870 7.345) 13.513 5.109 ( -0.806 -4.422 -0.334) 4.507 5.464 ( 4.354 -1.060 4.354) 6.248 5.865 ( 2.781 -5.892 3.334) 7.318 5.912 ( -4.054 1.390 5.917) 7.306 6.563 ( 0.943 4.958 -4.879) 7.019 6.761 ( -3.980 -3.216 -3.875) 6.418 7.147 ( -0.692 0.839 -9.173) 9.237 8.343 ( -8.882 -13.892 1.732) 16.579 8.577 ( 3.638 9.626 1.808) 10.448 9.162 ( 1.614 -7.976 -3.301) 8.782 9.584 ( -1.370 0.674 6.417) 6.596 10.609 ( 3.323 26.456 -7.109) 27.595 10.935 ( -9.903 1.364 -0.138) 9.997 11.435 ( -1.745 7.486 8.513) 11.470 11.818 ( 7.573 -0.313 -3.279) 8.258 12.439 ( 2.407 -2.445 -3.680) 5.031 12.619 ( -3.683 2.031 1.812) 4.580 12.968 ( -3.856 -2.654 3.981) 6.145 14.089 ( -3.318 -9.360 -19.926) 22.264 18.073 ( 3.986 -6.467 13.812) 15.764 18.282 ( -0.979 -5.921 -11.142) 12.656 19.173 ( -14.696 -5.007 -3.818) 15.988 19.511 ( -14.512 9.451 4.122) 17.802 20.818 ( 12.783 10.620 -0.075) 16.620 21.877 ( 17.951 -8.004 6.776) 20.790 23.565 ( -3.306 -1.722 -3.029) 4.803 23.843 ( -3.030 6.602 -5.404) 9.053 ======================= Grid point 156 (71/361) ======================= q-point: (-0.10 0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 3.439 9.376 5.626) 11.462 2.640 ( 14.445 4.267 18.093) 23.542 3.219 ( 3.672 -6.269 -6.219) 9.563 3.352 ( 2.125 -4.003 -0.109) 4.533 3.713 ( -2.143 -8.016 -6.289) 10.412 3.898 ( 5.830 2.483 20.516) 21.472 4.514 ( 10.576 1.246 -10.635) 15.050 4.530 ( 1.766 5.819 13.694) 14.983 4.875 ( -9.762 -5.092 12.401) 16.584 5.175 ( 1.268 -5.399 4.564) 7.183 5.535 ( 3.043 5.058 5.285) 7.922 5.905 ( -3.517 -0.269 8.850) 9.526 6.054 ( 0.651 -14.355 0.755) 14.390 6.437 ( -4.925 8.950 -0.160) 10.217 6.661 ( -3.290 -3.113 -6.967) 8.310 7.087 ( 4.399 -2.406 -6.547) 8.247 8.249 ( -10.675 4.471 2.574) 11.856 8.650 ( 2.411 -5.338 2.233) 6.268 9.181 ( -0.939 -4.217 -3.295) 5.434 9.657 ( 2.874 0.569 5.021) 5.813 10.389 ( 4.008 20.683 -3.612) 21.375 10.782 ( -8.926 -6.050 -4.909) 11.848 11.454 ( 1.512 8.105 7.243) 10.974 11.893 ( 7.481 -0.362 -2.507) 7.898 12.433 ( 2.150 6.288 -1.589) 6.833 12.469 ( -10.442 -4.810 -3.660) 12.065 13.131 ( 6.071 0.399 11.282) 12.818 13.861 ( -6.592 -7.478 -18.019) 20.593 18.088 ( -4.490 -3.751 -2.988) 6.570 18.446 ( 10.596 -8.169 0.803) 13.403 19.023 ( -12.071 -6.425 0.854) 13.701 19.222 ( -17.611 15.652 4.014) 23.900 20.915 ( 10.967 1.611 -1.535) 11.190 22.202 ( 13.847 -2.513 1.630) 14.167 23.475 ( -1.768 3.339 -4.133) 5.599 23.745 ( 0.050 0.969 -1.698) 1.956 ======================= Grid point 162 (72/361) ======================= q-point: (-0.50 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -0.819 -0.000 2.355) 2.493 2.496 ( 1.234 0.000 11.508) 11.574 2.604 ( 1.380 0.000 7.923) 8.042 2.898 ( -2.340 -0.000 -3.822) 4.482 3.420 ( -6.892 -0.000 0.886) 6.949 3.651 ( 1.798 -0.000 5.268) 5.566 4.193 ( -1.420 -0.000 4.058) 4.299 4.311 ( -3.535 -0.000 -7.447) 8.243 4.593 ( -1.274 0.000 9.968) 10.049 4.612 ( -1.629 -0.000 5.127) 5.379 5.065 ( -2.016 -0.000 8.993) 9.216 5.692 ( 1.013 -0.000 2.848) 3.023 5.903 ( 0.598 -0.000 3.482) 3.534 6.653 ( 5.644 -0.000 -12.559) 13.770 6.943 ( -2.583 -0.000 -1.513) 2.993 7.348 ( -2.724 -0.000 5.046) 5.734 7.962 ( -3.865 -0.000 4.805) 6.167 8.945 ( 0.490 -0.000 -5.214) 5.237 8.953 ( -0.840 0.000 -2.538) 2.673 9.434 ( -0.613 -0.000 8.334) 8.356 11.147 ( -4.082 -0.000 4.610) 6.158 11.398 ( -0.721 -0.000 3.533) 3.606 11.690 ( -3.809 0.000 -5.136) 6.394 11.713 ( 2.759 -0.000 -4.766) 5.507 12.166 ( 1.296 -0.000 1.943) 2.335 12.263 ( 3.458 -0.000 8.194) 8.894 13.339 ( -6.139 -0.000 -4.524) 7.626 14.225 ( 5.306 -0.000 -13.087) 14.122 17.341 ( 7.528 -0.000 9.590) 12.192 18.737 ( -3.251 -0.000 -14.542) 14.901 19.728 ( 6.092 -0.000 -1.162) 6.202 19.814 ( -15.198 -0.000 -17.961) 23.529 20.620 ( 21.712 -0.000 18.365) 28.438 21.107 ( -9.459 -0.000 6.618) 11.544 23.654 ( -3.321 -0.000 0.572) 3.370 24.145 ( -0.118 -0.000 -3.247) 3.249 ======================= Grid point 164 (73/361) ======================= q-point: (-0.40 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 4.819 6.911 4.064) 9.354 2.516 ( 1.028 19.532 5.175) 20.232 2.817 ( 10.034 -4.970 5.865) 12.641 2.991 ( 5.170 -13.928 2.457) 15.058 3.394 ( -3.244 -1.310 9.169) 9.814 3.676 ( -3.693 -1.949 -1.798) 4.546 4.242 ( 9.648 -2.744 -10.306) 14.381 4.265 ( 0.259 7.277 15.840) 17.434 4.586 ( -2.232 8.297 9.580) 12.868 4.844 ( -1.134 -15.829 9.971) 18.742 5.198 ( 5.819 -2.353 6.906) 9.332 5.754 ( 2.415 0.394 2.448) 3.461 5.941 ( -1.832 0.295 4.117) 4.516 6.598 ( 7.891 -0.875 -12.420) 14.740 6.852 ( -5.355 0.414 -3.178) 6.240 7.346 ( -2.925 3.964 2.418) 5.488 7.979 ( -6.073 -8.913 3.584) 11.365 8.851 ( 0.957 7.701 -3.610) 8.559 8.969 ( 1.634 -6.216 -2.718) 6.979 9.521 ( -2.586 -0.534 9.497) 9.857 11.099 ( -8.884 1.179 2.620) 9.337 11.377 ( 4.779 16.580 -8.526) 19.247 11.520 ( -5.026 6.603 5.647) 10.038 11.736 ( 5.672 -2.925 -4.986) 8.099 12.235 ( -1.628 -10.673 0.370) 10.802 12.485 ( 8.100 0.760 13.884) 16.092 13.121 ( -13.887 -1.015 -7.880) 15.999 14.116 ( 1.969 -3.935 -16.858) 17.423 17.630 ( 10.136 -1.685 15.857) 18.895 18.468 ( -6.690 -0.780 -17.573) 18.820 19.414 ( -14.412 -0.644 -14.217) 20.254 19.721 ( -5.388 0.906 1.667) 5.712 21.002 ( 11.042 15.431 9.109) 21.047 21.255 ( 13.090 -12.872 10.999) 21.401 23.599 ( -4.102 -0.564 -1.274) 4.332 24.067 ( -2.751 1.132 -5.413) 6.177 ======================= Grid point 165 (74/361) ======================= q-point: (-0.30 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 10.847 6.447 5.991) 13.968 2.377 ( 4.050 15.480 -0.683) 16.016 3.026 ( 10.129 -3.517 -1.109) 10.779 3.221 ( 8.811 -6.204 2.225) 11.003 3.572 ( -6.224 -7.220 -6.222) 11.383 3.613 ( 0.073 -2.104 24.183) 24.274 4.346 ( 16.223 -4.415 -8.830) 18.991 4.456 ( 2.162 7.902 22.423) 23.873 4.638 ( -2.364 0.071 11.119) 11.367 5.008 ( -2.611 -7.724 3.937) 9.054 5.418 ( 7.377 -3.271 8.902) 12.016 5.798 ( 1.765 -1.875 -0.676) 2.662 5.942 ( -3.534 1.378 3.711) 5.307 6.591 ( 8.360 -0.217 -9.357) 12.549 6.732 ( -5.290 -1.278 -4.887) 7.314 7.238 ( -4.334 8.955 -1.545) 10.067 8.033 ( -8.507 -17.493 1.895) 19.544 8.766 ( 2.257 9.630 -1.067) 9.949 9.031 ( 2.395 -6.834 -1.807) 7.463 9.599 ( -2.168 0.712 9.523) 9.793 10.930 ( -11.722 1.716 -4.588) 12.704 11.105 ( 1.203 24.361 -7.549) 25.532 11.551 ( -0.385 5.078 8.996) 10.337 11.796 ( 7.853 -2.626 -4.961) 9.653 12.298 ( -2.069 -10.402 -1.246) 10.679 12.706 ( -1.560 5.658 4.581) 7.446 12.895 ( -5.245 -5.137 4.538) 8.631 13.945 ( -1.546 -6.184 -19.684) 20.691 17.985 ( 8.314 -3.415 15.899) 18.263 18.207 ( -4.320 -2.680 -13.270) 14.211 19.105 ( -11.805 -2.587 -9.199) 15.188 19.624 ( -11.362 3.705 4.784) 12.873 21.033 ( 8.716 12.241 -2.605) 15.251 21.734 ( 17.421 -7.959 13.534) 23.452 23.528 ( -4.184 -1.835 -2.452) 5.185 23.933 ( -2.787 3.440 -6.461) 7.832 ======================= Grid point 166 (75/361) ======================= q-point: (-0.20 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -1.216 11.412 -7.608) 13.770 2.665 ( 15.339 -0.379 13.222) 20.255 3.133 ( 5.105 -2.455 -4.953) 7.524 3.336 ( 4.085 0.939 -1.737) 4.537 3.520 ( 1.114 -11.314 -5.792) 12.760 3.969 ( 3.187 3.303 28.615) 28.981 4.494 ( 16.466 -3.131 -12.963) 21.189 4.640 ( -3.658 4.066 14.071) 15.096 4.777 ( -4.485 -3.618 15.866) 16.880 5.076 ( -0.067 -5.248 6.635) 8.460 5.594 ( 1.173 1.757 6.071) 6.428 5.856 ( 4.208 -5.844 0.512) 7.220 5.925 ( -3.923 -0.151 3.961) 5.577 6.528 ( -3.980 1.328 -8.522) 9.499 6.662 ( 4.108 1.893 -3.516) 5.729 7.093 ( -1.324 4.941 -2.910) 5.885 8.076 ( -10.844 -18.371 0.983) 21.355 8.723 ( 3.021 8.860 1.236) 9.442 9.095 ( 1.471 -5.325 -1.585) 5.748 9.682 ( 0.562 1.901 8.407) 8.638 10.683 ( -9.397 -0.657 -9.226) 13.185 10.823 ( -2.053 22.556 -4.084) 23.014 11.597 ( 0.392 7.259 7.508) 10.450 11.875 ( 7.835 -2.090 -3.932) 9.012 12.322 ( -4.665 -8.435 -2.238) 9.895 12.524 ( -8.272 1.401 -2.080) 8.644 13.136 ( 7.685 0.214 14.825) 16.700 13.727 ( -3.915 -7.010 -19.232) 20.841 18.041 ( -2.261 -1.782 -4.724) 5.532 18.317 ( 8.036 -6.058 6.420) 11.937 18.925 ( -7.919 -4.429 -2.902) 9.526 19.445 ( -15.916 9.221 5.912) 19.321 20.998 ( 8.543 7.130 -7.829) 13.606 22.152 ( 13.940 -3.187 10.829) 17.938 23.464 ( -3.288 -2.841 -2.715) 5.124 23.800 ( -0.616 3.906 -5.621) 6.873 ======================= Grid point 167 (76/361) ======================= q-point: (-0.10 0.50 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( -4.328 -1.527 -6.015) 7.566 2.974 ( -0.869 -3.966 5.180) 6.581 3.078 ( 3.336 -5.395 -6.153) 8.837 3.392 ( 1.763 -0.826 3.899) 4.358 3.606 ( 10.922 1.756 -2.775) 11.405 4.267 ( 2.055 5.253 18.147) 19.003 4.505 ( 8.485 -2.110 -18.569) 20.524 4.617 ( -6.596 6.561 8.606) 12.673 4.892 ( -8.042 -0.070 13.873) 16.035 5.220 ( 1.827 -0.507 1.030) 2.157 5.607 ( -10.397 -11.689 4.838) 16.375 5.903 ( -3.008 -1.305 -0.575) 3.329 6.048 ( 5.978 2.306 14.299) 15.669 6.360 ( -3.735 -1.200 -5.288) 6.585 6.652 ( 1.176 6.775 1.475) 7.033 7.084 ( 5.824 -2.397 -2.800) 6.892 8.093 ( -9.936 -12.748 3.874) 16.621 8.707 ( 1.709 5.713 0.254) 5.968 9.128 ( 1.260 -2.256 -0.890) 2.733 9.764 ( 1.145 2.884 4.795) 5.712 10.488 ( -11.374 -10.011 -6.609) 16.531 10.597 ( 6.089 19.989 -4.047) 21.284 11.616 ( -1.926 5.014 6.808) 8.672 11.944 ( 5.339 -1.479 -3.000) 6.300 12.264 ( -5.509 -4.656 -1.283) 7.326 12.480 ( 0.360 0.721 1.930) 2.092 13.289 ( -0.440 0.732 -6.108) 6.167 13.619 ( 3.936 -3.971 2.144) 5.988 18.015 ( 0.618 -1.252 -0.874) 1.647 18.461 ( 4.983 -7.047 -7.397) 11.367 18.912 ( -0.238 -3.181 4.118) 5.209 19.168 ( -18.267 14.331 6.158) 24.021 20.980 ( 6.748 -1.263 -8.130) 10.641 22.407 ( 7.256 3.914 7.037) 10.839 23.434 ( -0.291 -2.131 -1.464) 2.602 23.725 ( 0.850 0.705 -3.583) 3.749 ======================= Grid point 174 (77/361) ======================= q-point: (-0.40 0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 11.458 -0.000 6.534) 13.190 2.559 ( -3.069 0.000 -9.902) 10.367 3.064 ( 9.829 -0.000 7.929) 12.628 3.073 ( 16.006 -0.000 0.133) 16.006 3.511 ( -9.447 0.000 -7.815) 12.260 3.587 ( 2.002 -0.000 26.240) 26.316 4.299 ( 19.040 -0.000 -11.800) 22.400 4.475 ( -2.553 0.000 16.505) 16.701 4.819 ( 3.152 -0.000 6.892) 7.579 4.821 ( -5.242 0.000 15.112) 15.995 5.384 ( 8.751 -0.000 9.801) 13.140 5.784 ( 0.875 -0.000 -2.041) 2.221 5.954 ( -3.206 0.000 3.437) 4.700 6.589 ( 11.461 -0.000 -10.667) 15.657 6.715 ( -6.138 0.000 -6.034) 8.607 7.361 ( -4.439 0.000 3.306) 5.534 7.837 ( -10.143 0.000 -0.184) 10.145 8.906 ( 2.510 -0.000 -1.790) 3.083 8.917 ( 2.128 -0.000 -1.200) 2.443 9.605 ( -2.134 0.000 10.591) 10.804 10.938 ( -14.322 0.000 -3.104) 14.655 11.393 ( 4.487 -0.000 -13.848) 14.557 11.598 ( -0.297 0.000 9.390) 9.395 11.738 ( 6.861 -0.000 -5.595) 8.853 12.179 ( -2.968 0.000 3.163) 4.338 12.801 ( 9.607 -0.000 16.834) 19.382 12.802 ( -17.299 0.000 -6.986) 18.656 13.889 ( -0.965 0.000 -19.449) 19.473 17.955 ( 9.473 -0.000 16.101) 18.681 18.184 ( -5.120 0.000 -13.869) 14.784 19.083 ( -10.827 0.000 -11.029) 15.455 19.655 ( -10.205 0.000 4.815) 11.284 21.166 ( 6.336 -0.000 -6.212) 8.873 21.643 ( 18.038 -0.000 19.042) 26.229 23.511 ( -4.656 0.000 -2.504) 5.286 23.963 ( -2.473 0.000 -6.630) 7.076 ======================= Grid point 176 (78/361) ======================= q-point: (-0.30 0.60 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( -4.538 4.517 -18.139) 19.236 2.656 ( 16.572 -0.281 10.807) 19.787 3.151 ( -2.005 3.724 -5.962) 7.310 3.314 ( -1.162 -5.407 0.693) 5.574 3.385 ( 17.478 -1.691 -0.130) 17.560 4.001 ( 3.318 0.652 33.563) 33.733 4.433 ( 18.425 -2.489 -13.995) 23.270 4.595 ( -7.586 -4.030 12.855) 15.461 4.844 ( -4.443 6.497 12.195) 14.515 4.992 ( 1.820 -4.413 7.453) 8.851 5.610 ( -0.466 0.307 4.783) 4.816 5.787 ( 7.137 -1.903 3.931) 8.368 5.933 ( -3.946 0.395 1.919) 4.406 6.541 ( -4.937 0.621 -8.951) 10.241 6.663 ( 13.262 -1.065 -7.982) 15.515 7.263 ( -6.399 11.469 2.168) 13.311 7.747 ( -12.342 -15.735 0.311) 20.001 8.872 ( 2.798 7.565 -0.187) 8.068 8.995 ( 2.697 -6.034 -0.530) 6.631 9.710 ( -0.109 0.974 10.190) 10.237 10.658 ( -16.145 -0.821 -7.646) 17.883 11.209 ( 3.247 16.285 -11.707) 20.317 11.690 ( -1.134 2.916 7.981) 8.573 11.801 ( 6.822 -5.732 -4.732) 10.089 12.197 ( -3.469 -4.369 2.414) 6.079 12.520 ( -12.984 -0.823 -2.731) 13.293 13.139 ( 9.302 0.140 16.917) 19.307 13.637 ( -2.508 -2.771 -19.984) 20.331 18.021 ( -0.762 -0.523 -6.612) 6.677 18.243 ( 6.228 -2.156 10.291) 12.220 18.872 ( -5.235 -1.486 -5.549) 7.772 19.547 ( -13.851 2.673 6.444) 15.509 21.118 ( 6.202 4.672 -11.877) 14.190 22.100 ( 13.764 -2.118 17.800) 22.601 23.419 ( -4.658 -1.585 -2.854) 5.688 23.852 ( -0.453 1.570 -7.126) 7.311 ======================= Grid point 177 (79/361) ======================= q-point: (-0.20 -0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( -6.785 0.264 -18.420) 19.631 2.848 ( -15.581 -7.791 -9.094) 19.651 3.045 ( 14.051 0.488 5.541) 15.113 3.419 ( 5.526 3.924 5.484) 8.718 3.656 ( 20.155 1.875 -0.637) 20.253 4.349 ( -1.813 4.689 19.311) 19.955 4.446 ( 5.224 -3.521 -15.662) 16.882 4.674 ( -8.214 -3.419 16.518) 18.762 4.886 ( -2.983 2.306 11.743) 12.333 5.173 ( 4.013 -4.448 7.690) 9.748 5.460 ( -12.365 -3.765 -8.546) 15.495 5.894 ( -3.672 -0.343 2.046) 4.217 6.073 ( 7.622 0.699 12.998) 15.084 6.372 ( -0.770 1.872 -6.277) 6.595 6.761 ( 10.897 3.286 -4.363) 12.190 7.110 ( -3.473 7.733 1.820) 8.670 7.768 ( -11.215 -21.002 2.952) 23.991 8.842 ( 2.370 7.788 -0.067) 8.141 9.074 ( 2.983 -3.910 -0.202) 4.922 9.818 ( 1.650 2.793 8.001) 8.633 10.360 ( -15.092 -4.524 -8.467) 17.886 10.964 ( 4.351 19.521 -9.996) 22.359 11.683 ( -8.734 2.529 6.433) 11.138 11.889 ( 5.553 -5.103 -3.651) 8.379 12.195 ( -3.058 -2.616 1.707) 4.372 12.445 ( -2.057 -3.405 3.167) 5.084 13.292 ( -3.184 -0.390 -11.442) 11.883 13.563 ( 9.822 -2.057 8.457) 13.123 18.003 ( 2.967 -0.274 -0.690) 3.058 18.359 ( 1.682 -4.223 -4.740) 6.568 18.868 ( 2.578 -1.713 5.006) 5.885 19.366 ( -17.174 7.578 6.582) 19.892 21.001 ( 5.302 2.691 -14.473) 15.647 22.458 ( 7.859 1.813 15.805) 17.744 23.359 ( -3.385 -4.712 -1.637) 6.028 23.761 ( 1.772 2.185 -6.758) 7.320 ======================= Grid point 178 (80/361) ======================= q-point: (-0.10 -0.40 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -7.963 -9.658 -13.389) 18.329 2.547 ( -20.172 -15.009 -12.868) 28.245 3.260 ( 8.419 3.908 3.585) 9.950 3.492 ( 1.767 4.574 4.545) 6.685 3.867 ( 14.293 7.948 1.235) 16.401 4.202 ( -6.085 -2.376 -19.373) 20.445 4.386 ( -11.629 0.191 3.109) 12.039 4.825 ( -3.462 0.513 15.470) 15.861 4.950 ( -5.205 5.660 11.487) 13.823 5.178 ( -7.329 3.382 -3.585) 8.832 5.361 ( 0.264 -8.809 -0.184) 8.815 5.878 ( -5.526 -0.967 3.318) 6.517 6.172 ( -1.887 -9.874 0.590) 10.070 6.442 ( 2.456 11.314 13.097) 17.481 6.780 ( 4.033 8.579 3.785) 10.208 7.135 ( 6.703 -2.729 0.850) 7.287 7.879 ( -6.328 -21.370 4.887) 22.817 8.778 ( 0.335 9.225 -2.071) 9.461 9.154 ( 4.807 -1.952 0.896) 5.265 9.828 ( -4.727 6.676 0.997) 8.241 10.197 ( -5.251 -11.423 -3.502) 13.051 10.784 ( 7.550 14.775 -7.762) 18.318 11.588 ( -14.857 -1.382 7.560) 16.727 11.938 ( 2.215 -2.631 -3.451) 4.872 12.260 ( 4.105 -2.967 4.600) 6.842 12.523 ( 1.326 -1.420 5.211) 5.561 13.043 ( -5.308 -1.168 -17.352) 18.184 13.886 ( 13.235 1.355 14.024) 19.331 18.042 ( 2.252 2.098 -1.177) 3.296 18.332 ( 5.805 -6.812 -12.157) 15.097 19.012 ( 4.127 1.722 4.695) 6.484 19.117 ( -15.799 9.657 8.526) 20.385 20.895 ( 3.084 -3.689 -13.439) 14.273 22.629 ( -0.558 9.625 12.019) 15.408 23.394 ( 0.185 -7.790 2.552) 8.199 23.703 ( 2.646 1.175 -5.566) 6.274 ======================= Grid point 186 (81/361) ======================= q-point: (-0.30 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( -6.782 0.000 -23.676) 24.628 2.770 ( -19.518 0.000 -10.423) 22.127 3.055 ( 16.378 -0.000 7.117) 17.857 3.477 ( 6.498 -0.000 6.868) 9.455 3.660 ( 22.659 -0.000 -0.618) 22.667 4.410 ( 5.557 -0.000 -16.265) 17.188 4.422 ( -0.826 0.000 26.532) 26.545 4.581 ( -9.904 0.000 10.174) 14.199 4.938 ( -4.136 0.000 16.128) 16.650 5.116 ( 4.637 -0.000 5.073) 6.873 5.436 ( -12.001 0.000 -8.365) 14.628 5.890 ( -4.320 0.000 1.137) 4.467 6.078 ( 7.175 -0.000 11.118) 13.233 6.395 ( 1.644 -0.000 -4.331) 4.632 6.775 ( 16.475 -0.000 -8.462) 18.521 7.293 ( -5.276 0.000 4.922) 7.216 7.474 ( -15.622 0.000 2.604) 15.838 8.939 ( 1.635 -0.000 -1.400) 2.153 9.012 ( 4.624 -0.000 0.967) 4.724 9.845 ( 2.150 -0.000 9.124) 9.374 10.321 ( -16.914 0.000 -8.772) 19.053 11.173 ( 4.891 -0.000 -15.958) 16.690 11.706 ( -11.059 0.000 6.656) 12.907 11.813 ( 4.712 -0.000 -1.249) 4.875 12.174 ( -3.712 0.000 3.900) 5.385 12.408 ( -1.683 0.000 3.086) 3.515 13.286 ( -3.721 0.000 -13.996) 14.482 13.546 ( 11.573 -0.000 11.328) 16.194 18.001 ( 4.106 -0.000 -0.627) 4.154 18.320 ( 0.028 -0.000 -3.715) 3.715 18.853 ( 3.992 -0.000 4.829) 6.265 19.432 ( -16.382 0.000 6.998) 17.814 21.033 ( 4.363 -0.000 -16.987) 17.538 22.473 ( 8.283 -0.000 19.919) 21.572 23.312 ( -4.830 0.000 -2.498) 5.437 23.782 ( 2.139 -0.000 -7.637) 7.930 ======================= Grid point 187 (82/361) ======================= q-point: (-0.20 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -8.550 -3.109 -21.879) 23.695 2.338 ( -24.212 -6.947 -13.287) 28.478 3.336 ( 12.772 3.297 4.852) 14.055 3.571 ( 0.462 3.068 2.595) 4.044 3.942 ( 16.278 0.779 -0.020) 16.296 4.206 ( 0.470 1.745 -22.167) 22.240 4.418 ( -20.671 5.278 8.820) 23.086 4.654 ( -10.668 -13.389 9.257) 19.462 5.101 ( 2.114 7.334 12.336) 14.506 5.214 ( -0.762 -0.440 -3.400) 3.512 5.279 ( -3.018 -1.241 15.594) 15.932 5.862 ( -4.932 -0.738 4.165) 6.497 6.048 ( -4.661 -3.711 -7.578) 9.640 6.610 ( 10.000 6.257 16.056) 19.923 6.895 ( 14.166 2.128 -6.241) 15.625 7.174 ( -5.869 10.674 5.471) 13.353 7.483 ( -9.023 -21.837 5.128) 24.177 8.912 ( 1.066 4.945 -1.976) 5.431 9.110 ( 5.853 -2.374 0.677) 6.352 9.939 ( -4.259 5.894 1.677) 7.463 10.046 ( -6.792 -6.529 -2.411) 9.725 11.005 ( 6.310 7.987 -16.903) 19.731 11.592 ( -16.840 1.712 9.823) 19.570 11.876 ( 2.895 -3.679 -1.801) 5.015 12.188 ( -3.712 -3.555 6.318) 8.144 12.502 ( 4.890 -0.550 5.396) 7.302 13.029 ( -3.643 -0.419 -17.635) 18.013 13.901 ( 14.103 0.345 15.204) 20.741 18.089 ( 5.752 2.770 1.643) 6.592 18.225 ( 2.279 -4.585 -12.799) 13.785 19.021 ( 6.606 0.198 8.192) 10.526 19.255 ( -17.709 4.359 6.348) 19.311 20.864 ( 2.467 -0.413 -18.259) 18.429 22.771 ( 1.571 5.462 20.446) 21.221 23.252 ( -3.626 -6.104 -0.133) 7.101 23.729 ( 3.797 1.044 -7.478) 8.452 ======================= Grid point 188 (83/361) ======================= q-point: (-0.10 -0.30 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -10.479 -12.449 -13.359) 21.053 1.945 ( -24.515 -16.307 -11.949) 31.775 3.350 ( -7.743 4.034 -11.423) 14.378 3.559 ( 2.715 1.334 0.173) 3.030 3.828 ( -17.781 4.379 -9.408) 20.588 4.012 ( -2.801 4.039 -2.495) 5.512 4.232 ( -11.240 -1.747 3.976) 12.050 4.738 ( -3.054 -6.808 7.215) 10.380 5.171 ( 6.512 4.425 1.148) 7.957 5.194 ( 2.158 6.049 1.848) 6.683 5.457 ( -3.124 6.354 18.589) 19.892 5.795 ( -4.996 -0.194 -3.018) 5.840 6.072 ( -3.924 -12.905 8.113) 15.740 6.636 ( -7.031 18.452 4.294) 20.207 7.027 ( 5.938 7.557 10.628) 14.330 7.245 ( 8.930 -5.067 4.940) 11.394 7.656 ( -3.422 -25.456 3.435) 25.913 8.826 ( -0.583 9.066 -3.204) 9.633 9.233 ( 7.841 -2.599 0.481) 8.274 9.737 ( -9.032 1.694 -3.317) 9.770 10.127 ( 3.160 -2.680 2.121) 4.655 10.848 ( 7.463 5.452 -14.609) 17.287 11.470 ( -18.923 2.477 14.649) 24.059 11.884 ( -0.320 -2.198 -3.773) 4.378 12.316 ( -1.604 -10.912 10.008) 14.894 12.636 ( 5.284 1.498 5.126) 7.513 12.792 ( -0.785 0.167 -16.037) 16.057 14.264 ( 15.235 2.119 12.783) 20.000 17.971 ( 2.254 2.730 -20.840) 21.139 18.331 ( 10.449 -4.535 1.742) 11.523 19.017 ( -14.038 8.201 3.962) 16.734 19.211 ( 5.027 -0.002 7.663) 9.164 20.698 ( -0.010 -4.663 -15.820) 16.493 22.834 ( -7.957 15.763 12.975) 21.912 23.380 ( 0.578 -13.256 10.714) 17.054 23.688 ( 3.809 1.559 -6.263) 7.495 ======================= Grid point 197 (84/361) ======================= q-point: (-0.20 -0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -11.043 0.000 -17.573) 20.755 1.786 ( -27.593 0.000 -12.691) 30.371 3.396 ( -15.989 0.000 -20.165) 25.735 3.559 ( 9.413 -0.000 3.446) 10.024 3.906 ( -20.266 0.000 -7.639) 21.657 4.038 ( -2.219 0.000 -1.620) 2.747 4.202 ( -13.170 0.000 6.114) 14.521 4.664 ( 3.799 -0.000 8.693) 9.487 5.200 ( 5.852 -0.000 -1.159) 5.965 5.254 ( 6.635 -0.000 -3.939) 7.716 5.535 ( -7.690 0.000 30.799) 31.744 5.857 ( -5.379 0.000 -5.937) 8.011 5.881 ( -3.361 0.000 8.839) 9.457 6.954 ( -2.385 0.000 20.286) 20.426 7.022 ( 16.172 -0.000 -9.084) 18.548 7.185 ( -8.643 0.000 6.064) 10.559 7.356 ( 0.126 -0.000 5.185) 5.187 8.913 ( -0.209 0.000 -2.593) 2.601 9.201 ( 8.088 -0.000 0.014) 8.088 9.747 ( -9.648 0.000 -5.317) 11.016 10.114 ( 4.049 -0.000 5.295) 6.665 10.896 ( 6.226 -0.000 -19.612) 20.577 11.530 ( -16.980 0.000 17.160) 24.141 11.856 ( 0.414 -0.000 -3.033) 3.061 12.187 ( -6.513 0.000 9.831) 11.792 12.650 ( 6.643 -0.000 4.850) 8.225 12.793 ( -1.251 0.000 -16.094) 16.143 14.282 ( 15.482 -0.000 13.437) 20.500 18.000 ( 3.844 -0.000 -24.390) 24.691 18.283 ( 9.172 -0.000 6.200) 11.071 19.101 ( -16.289 0.000 4.284) 16.843 19.207 ( 6.071 -0.000 7.030) 9.289 20.658 ( 0.242 -0.000 -17.852) 17.854 23.083 ( -3.163 0.000 27.236) 27.419 23.149 ( -4.477 0.000 -0.471) 4.502 23.705 ( 4.320 -0.000 -6.747) 8.011 ======================= Grid point 198 (85/361) ======================= q-point: (-0.10 -0.20 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -16.235 -9.917 -4.400) 19.526 1.322 ( -27.444 -13.893 -8.897) 32.021 2.681 ( -38.016 -3.634 -31.834) 49.718 3.644 ( -13.582 4.175 9.756) 17.236 3.702 ( 2.000 1.829 5.571) 6.195 3.895 ( -10.287 1.140 -3.490) 10.922 4.178 ( -6.472 0.810 9.286) 11.347 4.823 ( 5.043 -1.174 4.144) 6.632 5.267 ( 4.720 1.648 0.111) 5.001 5.293 ( 7.049 2.078 -2.778) 7.856 5.686 ( -3.532 -0.109 6.001) 6.964 5.736 ( -7.813 11.826 13.531) 19.596 6.043 ( -2.418 -11.171 12.635) 17.038 6.758 ( -10.227 28.548 3.793) 30.561 7.215 ( -1.107 1.596 2.590) 3.237 7.372 ( 9.399 -22.642 10.233) 26.565 7.467 ( 0.570 -9.729 3.790) 10.457 8.839 ( -2.303 5.898 -2.770) 6.911 9.332 ( 9.850 -2.074 -0.839) 10.101 9.614 ( -3.096 -1.046 -2.675) 4.223 10.207 ( 3.365 2.571 2.329) 4.833 10.756 ( 5.767 -1.025 -17.859) 18.795 11.498 ( -19.094 11.052 25.398) 33.642 11.815 ( -0.869 -0.920 -3.584) 3.801 12.273 ( -5.954 -10.745 9.251) 15.378 12.635 ( 2.906 -5.083 -10.667) 12.168 12.781 ( 5.343 1.165 3.631) 6.564 14.624 ( 14.835 1.529 9.020) 17.429 17.705 ( 5.354 1.821 -35.655) 36.101 18.497 ( 8.846 -2.228 6.373) 11.128 18.921 ( -11.243 2.641 1.363) 11.629 19.353 ( 4.413 -0.772 5.030) 6.736 20.474 ( -1.106 -2.630 -13.628) 13.924 22.983 ( -9.477 18.618 6.509) 21.882 23.454 ( -1.774 -14.135 24.410) 28.263 23.694 ( 2.536 0.820 -1.050) 2.865 ======================= Grid point 208 (86/361) ======================= q-point: (-0.10 -0.10 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( -26.191 0.000 20.160) 33.052 0.780 ( -29.322 0.000 -1.649) 29.368 1.670 ( -51.632 0.000 -27.020) 58.275 3.626 ( -7.864 0.000 7.852) 11.113 3.698 ( -12.420 0.000 -1.063) 12.466 3.831 ( 3.823 -0.000 4.173) 5.659 4.333 ( -4.586 0.000 32.978) 33.295 4.885 ( 2.962 -0.000 -1.838) 3.486 5.347 ( 4.420 -0.000 0.629) 4.465 5.359 ( 5.812 -0.000 -1.976) 6.138 5.649 ( -2.882 0.000 -1.363) 3.188 5.901 ( -9.874 0.000 20.562) 22.810 6.117 ( 2.470 -0.000 7.662) 8.051 6.881 ( -12.238 0.000 6.169) 13.705 7.141 ( 5.605 -0.000 -5.106) 7.582 7.413 ( -4.479 0.000 16.642) 17.234 7.564 ( 7.697 -0.000 1.072) 7.771 8.798 ( -3.901 0.000 -0.778) 3.978 9.435 ( 9.703 -0.000 -4.998) 10.914 9.569 ( 1.952 -0.000 -2.299) 3.015 10.293 ( 2.062 -0.000 2.381) 3.149 10.579 ( 2.158 -0.000 -21.804) 21.910 11.767 ( -0.101 0.000 -2.644) 2.645 11.772 ( -11.161 0.000 42.258) 43.707 12.221 ( -4.637 0.000 3.530) 5.828 12.501 ( 0.669 -0.000 -6.295) 6.330 12.881 ( 3.438 -0.000 2.026) 3.991 14.889 ( 11.468 -0.000 2.886) 11.826 17.303 ( 0.463 -0.000 -36.710) 36.713 18.645 ( 1.773 -0.000 5.189) 5.483 18.808 ( -3.226 0.000 -1.611) 3.606 19.439 ( 1.951 -0.000 3.073) 3.640 20.321 ( -0.097 0.000 -8.647) 8.648 23.029 ( -4.592 0.000 1.246) 4.758 23.603 ( 2.535 -0.000 2.975) 3.908 23.883 ( -3.261 0.000 44.063) 44.183 ======================= Grid point 209 (87/361) ======================= q-point: ( 0.00 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 21.406 -0.000 26.468) 34.041 1.226 ( -2.175 0.000 31.614) 31.688 2.380 ( -5.126 0.000 52.037) 52.289 3.404 ( -0.587 0.000 -4.766) 4.802 3.815 ( -2.362 0.000 11.043) 11.292 4.090 ( -4.557 0.000 4.565) 6.450 4.739 ( 4.038 -0.000 -6.764) 7.878 4.780 ( -19.161 0.000 11.259) 22.224 5.242 ( -2.263 0.000 -5.559) 6.002 5.267 ( 0.718 -0.000 -7.307) 7.342 5.627 ( -24.672 0.000 -6.121) 25.420 6.148 ( -4.100 0.000 3.015) 5.089 6.183 ( -13.311 0.000 15.965) 20.786 6.526 ( 5.219 -0.000 3.404) 6.231 6.926 ( -1.561 0.000 7.243) 7.409 7.217 ( 1.058 -0.000 -13.605) 13.646 7.599 ( 2.478 -0.000 10.669) 10.953 8.979 ( -1.172 0.000 6.755) 6.856 9.354 ( -2.031 0.000 -8.858) 9.088 9.543 ( -3.422 0.000 -0.813) 3.518 10.031 ( 13.668 -0.000 3.343) 14.071 10.323 ( -3.456 0.000 -1.085) 3.622 11.672 ( 2.974 -0.000 -5.844) 6.557 11.800 ( -8.777 0.000 12.669) 15.413 11.844 ( -0.137 0.000 -9.330) 9.331 12.727 ( 5.532 -0.000 5.841) 8.045 12.880 ( -1.454 0.000 -2.284) 2.707 14.628 ( 0.004 -0.000 -19.323) 19.323 18.388 ( 5.907 -0.000 -9.656) 11.319 18.935 ( -11.602 0.000 3.654) 12.164 19.191 ( -0.258 0.000 -8.243) 8.247 19.514 ( 22.320 -0.000 0.592) 22.328 20.311 ( 13.847 -0.000 2.605) 14.090 22.859 ( -50.891 0.000 -8.353) 51.572 23.079 ( -3.149 0.000 4.660) 5.625 23.631 ( 5.094 -0.000 -1.726) 5.378 ======================= Grid point 210 (88/361) ======================= q-point: ( 0.10 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 4.135 3.369 30.010) 30.480 1.785 ( 19.857 -5.973 20.388) 29.080 3.012 ( 7.631 -7.219 39.512) 40.885 3.356 ( 4.520 2.121 -6.448) 8.155 3.855 ( -9.504 2.262 14.520) 17.500 4.027 ( -3.623 3.447 -2.932) 5.796 4.658 ( -0.919 4.836 -8.366) 9.707 4.765 ( -23.970 2.821 24.351) 34.286 5.129 ( 5.794 -0.758 -8.017) 9.920 5.207 ( -6.997 0.126 -5.337) 8.801 5.234 ( -3.469 -0.409 -3.931) 5.259 6.126 ( -7.796 0.789 6.931) 10.462 6.272 ( -8.211 0.470 18.692) 20.421 6.604 ( 3.645 9.177 6.000) 11.554 6.948 ( 0.025 7.285 -1.557) 7.450 7.097 ( -0.811 -5.117 -7.525) 9.136 7.804 ( -2.145 -12.810 11.503) 17.350 8.995 ( -1.543 4.750 2.716) 5.685 9.281 ( 2.726 -2.498 -6.779) 7.722 9.486 ( -4.441 -3.375 0.143) 5.580 10.115 ( 5.950 14.438 -2.133) 15.761 10.448 ( 8.530 -19.269 0.025) 21.072 11.602 ( 1.197 4.203 -9.079) 10.076 11.729 ( 2.305 5.925 1.116) 6.455 11.945 ( -3.119 -12.621 7.205) 14.863 12.804 ( -3.229 1.993 -2.084) 4.330 12.896 ( 6.279 -2.490 4.420) 8.073 14.344 ( -4.607 3.235 -19.632) 20.423 18.373 ( 9.905 2.929 -8.711) 13.512 18.692 ( -14.492 13.014 -0.863) 19.497 19.044 ( -11.738 -14.376 -7.539) 20.032 19.639 ( -5.367 -0.014 0.695) 5.412 20.579 ( 16.381 3.429 9.041) 19.022 22.255 ( -12.573 14.586 -4.347) 19.741 23.172 ( -3.749 -14.908 0.301) 15.375 23.688 ( 5.546 -0.008 -1.516) 5.750 ======================= Grid point 211 (89/361) ======================= q-point: ( 0.20 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 6.476 6.409 24.538) 26.175 2.341 ( 18.702 -8.830 17.001) 26.772 3.312 ( 6.466 5.782 -6.757) 10.995 3.499 ( -0.219 -2.861 17.464) 17.698 3.822 ( -3.905 5.914 -2.246) 7.435 3.995 ( 0.207 -0.059 11.587) 11.589 4.430 ( -5.121 5.705 -11.044) 13.444 4.602 ( -12.934 -1.102 1.895) 13.119 5.066 ( -10.107 -6.679 -0.264) 12.117 5.249 ( -0.209 1.541 5.583) 5.796 5.370 ( 11.449 -2.179 16.309) 20.045 6.093 ( -8.495 0.998 8.563) 12.103 6.368 ( -7.810 -4.641 12.046) 15.088 6.580 ( -0.141 13.094 1.787) 13.216 6.777 ( -1.161 8.096 -9.529) 12.557 7.098 ( -0.683 5.551 6.493) 8.570 8.006 ( -8.314 -18.915 10.648) 23.244 8.935 ( -0.675 8.683 0.537) 8.726 9.244 ( -1.259 -0.226 -4.763) 4.932 9.546 ( 5.319 -4.682 3.242) 7.792 10.038 ( -0.263 0.597 -3.639) 3.698 10.726 ( 10.653 -9.168 -0.137) 14.056 11.460 ( -0.059 5.107 -6.368) 8.163 11.768 ( 7.695 1.690 -1.999) 8.128 12.111 ( -2.206 -13.305 6.975) 15.183 12.686 ( -6.757 3.029 -2.114) 7.700 13.058 ( 7.836 -1.557 2.585) 8.398 14.008 ( -6.963 5.120 -15.726) 17.944 18.316 ( -1.899 8.315 -9.488) 12.758 18.465 ( 2.698 6.177 -0.130) 6.742 18.929 ( -12.051 -15.643 -7.082) 20.979 19.476 ( -18.943 1.124 4.631) 19.533 20.878 ( 14.620 7.185 10.457) 19.358 22.060 ( 5.461 3.492 -9.383) 11.404 23.240 ( -1.189 -10.250 -1.150) 10.382 23.738 ( 4.885 1.193 -1.618) 5.282 ======================= Grid point 212 (90/361) ======================= q-point: ( 0.30 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.204 ( 1.494 10.048 15.856) 18.831 2.848 ( 16.237 -7.934 14.306) 23.049 3.241 ( 1.844 7.064 -5.560) 9.177 3.474 ( -2.150 9.289 -2.420) 9.837 3.708 ( -4.501 4.601 -4.654) 7.943 4.177 ( 4.924 -3.082 1.974) 6.135 4.255 ( -1.085 -2.601 -1.280) 3.095 4.531 ( -3.022 -5.981 -1.695) 6.913 5.013 ( -12.362 -10.206 3.984) 16.518 5.261 ( -5.573 2.338 5.692) 8.302 5.791 ( 9.585 -3.911 19.851) 22.388 6.075 ( -6.464 -1.746 4.549) 8.095 6.290 ( -15.553 9.758 5.294) 19.108 6.538 ( -0.491 -1.791 4.702) 5.056 6.626 ( 1.379 12.168 -0.516) 12.257 7.105 ( 2.025 9.276 4.281) 10.415 8.159 ( -11.769 -18.335 10.768) 24.303 8.849 ( -0.176 11.306 0.913) 11.344 9.165 ( -1.861 1.082 -2.686) 3.442 9.697 ( 4.494 -0.802 1.503) 4.806 10.076 ( 3.089 -12.842 0.442) 13.216 10.808 ( 3.931 9.613 -4.827) 11.453 11.458 ( 5.989 -4.469 2.198) 7.789 11.841 ( 8.846 0.943 -3.744) 9.652 12.272 ( -1.473 -12.780 4.651) 13.680 12.520 ( -8.615 5.168 -1.110) 10.108 13.169 ( 5.157 -2.246 -5.045) 7.556 13.743 ( -3.637 4.996 -5.054) 7.983 18.119 ( -3.316 6.465 -3.283) 7.973 18.466 ( 5.475 2.744 -8.967) 10.859 18.832 ( -6.817 -11.361 -5.093) 14.194 19.276 ( -19.671 -2.238 7.974) 21.344 21.047 ( 9.747 13.580 3.561) 17.091 22.101 ( 10.023 -8.527 -6.005) 14.465 23.303 ( 1.774 -6.483 -1.149) 6.819 23.759 ( 3.552 3.142 -1.571) 4.996 ======================= Grid point 213 (91/361) ======================= q-point: (-0.60 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -7.239 15.843 6.344) 18.538 3.063 ( -12.068 7.826 -3.527) 14.810 3.204 ( 6.793 1.346 7.495) 10.205 3.448 ( 10.546 -1.312 -2.308) 10.875 3.537 ( -2.766 2.539 -1.257) 3.960 4.121 ( 8.459 2.001 -19.461) 21.314 4.378 ( -3.895 -4.434 5.560) 8.108 4.610 ( 3.331 -12.725 3.155) 13.527 4.988 ( -14.854 -11.903 7.092) 20.313 5.202 ( -9.208 -0.083 4.616) 10.301 5.802 ( -12.057 6.360 -7.694) 15.653 6.024 ( -6.379 1.054 -1.241) 6.584 6.359 ( -1.366 -0.306 29.246) 29.279 6.554 ( 1.877 6.615 3.358) 7.652 6.639 ( -2.255 1.516 10.382) 10.732 7.117 ( 6.841 6.064 0.181) 9.143 8.254 ( -11.131 -11.572 9.364) 18.588 8.747 ( -1.841 11.315 1.050) 11.512 9.136 ( 1.623 0.449 -0.394) 1.730 9.706 ( -4.059 -5.631 -2.879) 7.514 10.321 ( 8.913 -11.597 4.404) 15.275 10.625 ( 1.301 20.328 -5.628) 21.132 11.687 ( 5.847 -6.218 9.541) 12.802 11.892 ( 6.924 1.168 -4.874) 8.547 12.335 ( -6.556 2.126 1.822) 7.129 12.428 ( 1.769 -6.629 0.752) 6.902 13.058 ( -5.289 0.484 -12.515) 13.595 13.769 ( 8.106 -0.819 5.033) 9.576 18.019 ( -2.333 1.651 -4.396) 5.243 18.335 ( 0.951 2.609 -11.120) 11.461 18.850 ( 0.246 -7.945 -0.355) 7.957 19.180 ( -13.513 -5.414 8.477) 16.845 21.001 ( 6.269 15.895 -6.660) 18.339 22.309 ( 6.358 -15.184 2.260) 16.616 23.377 ( 4.342 -3.402 -0.667) 5.556 23.747 ( 2.557 5.295 -0.929) 5.953 ======================= Grid point 214 (92/361) ======================= q-point: (-0.50 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -12.697 19.026 3.609) 23.156 2.686 ( -20.882 15.061 -2.548) 25.873 3.269 ( 3.130 0.995 1.586) 3.647 3.495 ( -1.879 -1.973 0.022) 2.724 3.697 ( 8.117 -10.587 -3.039) 13.682 3.917 ( -1.022 7.250 -12.880) 14.815 4.358 ( -9.136 -4.531 1.113) 10.259 4.817 ( 8.843 -9.145 -2.491) 12.963 4.978 ( -10.575 -9.902 4.563) 15.189 5.152 ( -9.440 -3.939 5.877) 11.797 5.548 ( -10.626 2.915 5.425) 12.281 5.887 ( -6.353 1.039 -4.585) 7.903 6.470 ( -2.619 3.391 3.684) 5.651 6.629 ( -12.669 6.030 18.115) 22.913 6.811 ( 5.586 -7.178 12.490) 15.451 7.220 ( 10.564 1.820 3.012) 11.134 8.266 ( -7.992 1.318 6.551) 10.418 8.642 ( -3.677 4.344 0.896) 5.761 9.180 ( 4.765 0.151 -0.247) 4.774 9.656 ( -6.752 -9.623 -3.149) 12.170 10.395 ( 3.801 22.028 -5.425) 23.002 10.575 ( 7.000 -5.384 4.607) 9.960 11.821 ( -11.204 1.097 12.583) 16.884 11.891 ( 3.623 2.227 -5.156) 6.684 12.370 ( 10.441 -0.137 4.595) 11.408 12.533 ( 4.791 -6.274 -2.641) 8.324 12.804 ( -9.814 2.150 -7.434) 12.498 14.016 ( 13.795 -5.803 3.815) 15.444 17.820 ( -5.967 -0.599 -17.923) 18.900 18.324 ( 6.688 2.428 3.696) 8.018 18.917 ( -3.250 -8.464 1.539) 9.196 19.198 ( -2.696 -4.104 6.420) 8.082 20.811 ( 3.712 14.730 -13.320) 20.203 22.548 ( -2.120 -17.751 6.832) 19.138 23.473 ( 6.776 -1.790 -0.035) 7.008 23.728 ( 2.691 7.110 1.939) 7.846 ======================= Grid point 215 (93/361) ======================= q-point: (-0.40 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -16.686 18.442 6.885) 25.806 2.207 ( -23.296 20.271 0.819) 30.892 3.118 ( -18.919 11.743 -12.260) 25.419 3.522 ( 4.523 -6.676 4.019) 9.010 3.689 ( -3.663 -5.279 -3.326) 7.235 3.850 ( -4.579 -6.380 0.369) 7.862 4.277 ( -10.274 -4.941 3.457) 11.913 4.931 ( 1.548 0.634 3.843) 4.191 5.013 ( 6.283 -7.022 -4.606) 10.488 5.167 ( -1.669 -3.764 4.888) 6.391 5.590 ( -9.223 -12.475 12.092) 19.669 5.747 ( -5.195 -0.040 -3.573) 6.305 6.428 ( -4.719 -1.042 -0.280) 4.841 6.575 ( -14.626 5.935 15.805) 22.337 7.054 ( 2.276 -8.116 6.785) 10.820 7.403 ( 8.050 -1.242 3.026) 8.689 8.163 ( -3.396 15.936 3.627) 16.693 8.628 ( -4.118 -6.459 4.732) 9.004 9.237 ( 6.444 0.857 -3.018) 7.167 9.638 ( -3.497 -7.485 -0.095) 8.262 10.207 ( 3.071 16.399 -5.481) 17.561 10.715 ( 3.944 1.405 2.656) 4.958 11.745 ( -17.861 -0.054 13.043) 22.117 11.835 ( 0.803 3.289 -4.387) 5.542 12.476 ( -4.245 -1.040 -12.831) 13.555 12.632 ( 11.899 -0.307 6.538) 13.580 12.738 ( 4.888 1.497 7.213) 8.841 14.312 ( 15.980 -8.534 -0.178) 18.117 17.501 ( -6.158 -0.073 -20.365) 21.276 18.494 ( 8.312 2.000 8.582) 12.114 18.934 ( -5.846 -5.741 1.410) 8.314 19.315 ( 5.258 -2.178 4.327) 7.149 20.549 ( 1.244 11.951 -15.577) 19.673 22.699 ( -11.134 -18.969 6.670) 22.984 23.559 ( 6.333 0.159 -4.189) 7.595 23.804 ( 5.654 4.751 12.644) 14.643 ======================= Grid point 216 (94/361) ======================= q-point: (-0.30 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -20.817 15.176 11.658) 28.277 1.724 ( -25.447 20.105 4.231) 32.706 2.448 ( -34.067 21.417 -4.929) 40.541 3.627 ( -5.293 -6.082 -0.806) 8.103 3.753 ( -0.060 -7.112 8.089) 10.771 3.817 ( -7.195 -5.007 0.457) 8.777 4.327 ( -1.077 -9.885 10.562) 14.506 4.975 ( 1.294 5.236 4.404) 6.963 5.128 ( 8.026 -6.509 -3.915) 11.051 5.271 ( 1.650 -5.302 4.601) 7.212 5.654 ( -3.256 -1.339 -1.370) 3.777 5.736 ( -8.681 -17.293 7.394) 20.714 6.363 ( -6.937 -7.218 -2.194) 10.249 6.523 ( -14.354 2.492 15.587) 21.335 7.168 ( -4.277 -6.968 2.370) 8.513 7.479 ( 4.834 -1.008 -6.047) 7.807 8.028 ( 4.397 19.975 -0.129) 20.454 8.739 ( -3.049 -7.131 10.360) 12.942 9.269 ( 6.887 1.198 -4.860) 8.514 9.670 ( 2.701 3.576 1.321) 4.672 10.075 ( -1.487 -0.047 -5.259) 5.466 10.722 ( -0.709 8.060 2.005) 8.335 11.669 ( -15.354 -6.614 7.940) 18.507 11.781 ( -3.113 0.570 1.977) 3.731 12.283 ( -5.722 -0.912 -7.393) 9.392 12.793 ( 4.387 -3.194 1.661) 5.675 12.936 ( 16.113 13.240 5.320) 21.523 14.581 ( 15.328 -9.389 -5.213) 18.716 17.228 ( -4.324 0.706 -7.960) 9.086 18.687 ( 6.416 1.573 8.276) 10.590 18.889 ( -1.904 2.312 -2.608) 3.971 19.454 ( 6.208 0.753 3.544) 7.188 20.298 ( 0.246 6.360 -13.190) 14.645 22.753 ( -16.863 -21.826 6.032) 28.233 23.564 ( 5.279 2.258 -5.061) 7.654 24.070 ( 6.762 -1.184 17.142) 18.465 ======================= Grid point 217 (95/361) ======================= q-point: (-0.20 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -21.338 12.643 16.306) 29.682 1.165 ( -34.958 13.387 -4.430) 37.695 1.936 ( -28.974 24.670 34.879) 51.620 3.570 ( -8.041 -6.137 -1.629) 10.246 3.712 ( -6.258 1.040 0.705) 6.383 3.933 ( -1.446 -6.812 9.426) 11.719 4.608 ( 5.766 -14.074 4.700) 15.919 5.024 ( 4.539 3.456 7.732) 9.608 5.233 ( 3.989 -5.360 -2.422) 7.107 5.405 ( 2.286 -3.349 7.485) 8.513 5.536 ( -6.872 -0.039 -8.970) 11.300 5.889 ( -5.218 -19.929 6.605) 21.634 6.334 ( -2.338 -5.135 -0.515) 5.666 6.508 ( -17.825 -12.890 11.501) 24.822 7.102 ( -14.878 -4.729 2.165) 15.761 7.476 ( 7.296 -1.120 -9.496) 12.027 7.874 ( 8.899 25.963 -11.548) 29.777 8.848 ( -2.374 -2.225 5.674) 6.541 9.333 ( 8.077 1.974 2.458) 8.671 9.636 ( 4.398 12.298 -3.140) 13.433 10.039 ( -10.628 -17.124 -2.828) 20.352 10.604 ( -4.940 13.902 1.410) 14.821 11.639 ( -7.425 -10.665 1.384) 13.069 11.775 ( -9.258 -7.289 4.755) 12.706 12.176 ( -2.544 -0.595 -2.684) 3.745 12.864 ( 2.357 -1.180 -3.541) 4.414 12.944 ( 11.138 24.053 -9.012) 27.997 14.756 ( 11.413 -8.020 -10.058) 17.197 17.391 ( 13.783 -8.539 28.720) 32.981 18.751 ( 5.320 11.727 -5.776) 14.113 18.865 ( 2.816 0.738 5.732) 6.429 19.530 ( 2.657 5.326 2.465) 6.442 20.156 ( 2.529 -0.088 -8.958) 9.309 22.795 ( -18.998 -27.960 6.943) 34.509 23.563 ( 5.125 1.766 -3.954) 6.709 24.313 ( 0.513 -4.739 2.780) 5.518 ======================= Grid point 218 (96/361) ======================= q-point: (-0.10 0.00 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -6.303 10.129 21.664) 24.732 0.996 ( -13.055 6.600 26.820) 30.550 1.988 ( -20.637 11.977 53.156) 58.266 3.483 ( -5.754 -2.902 -2.970) 7.096 3.696 ( -0.505 0.284 7.200) 7.224 4.053 ( -3.316 -3.691 7.929) 9.353 4.731 ( 4.216 -6.095 -6.590) 9.917 5.052 ( -14.894 -5.569 -9.014) 18.278 5.274 ( 1.941 1.292 1.486) 2.765 5.339 ( 1.116 2.554 -6.667) 7.227 5.634 ( 5.081 -0.476 16.299) 17.079 6.068 ( -5.005 -23.768 0.631) 24.297 6.391 ( 3.877 2.756 7.241) 8.664 6.456 ( -26.999 -25.350 -5.454) 37.434 6.946 ( -14.631 -1.842 3.936) 15.263 7.416 ( 1.908 9.120 -13.488) 16.394 7.558 ( 5.571 25.614 -1.817) 26.276 8.897 ( -1.817 -1.908 6.897) 7.383 9.474 ( 4.479 2.042 -0.771) 4.982 9.545 ( 5.898 8.436 -2.750) 10.654 9.944 ( -17.115 -14.915 -0.013) 22.702 10.429 ( -2.308 14.325 1.317) 14.569 11.674 ( 1.098 -5.347 -2.091) 5.845 11.756 ( -11.723 -12.460 3.657) 17.495 12.065 ( -2.690 9.495 -8.122) 12.781 12.671 ( 2.744 14.411 -1.683) 14.766 12.907 ( 1.151 0.590 -1.323) 1.850 14.780 ( 5.749 -4.282 -15.412) 16.997 18.269 ( 18.340 -28.056 11.032) 35.287 18.767 ( 37.730 21.881 7.453) 44.248 18.954 ( -3.538 -3.828 5.878) 7.856 19.479 ( -1.887 7.699 -1.763) 8.120 20.158 ( 7.774 -2.098 -4.144) 9.056 22.898 ( -17.513 -34.429 6.263) 39.132 23.580 ( 4.621 0.875 -3.115) 5.642 23.947 ( -34.466 14.011 -23.088) 43.787 ======================= Grid point 220 (97/361) ======================= q-point: ( 0.10 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 8.456 -0.000 29.605) 30.789 2.207 ( 15.283 -0.000 16.082) 22.185 3.368 ( 7.606 -0.000 -7.803) 10.897 3.452 ( 4.323 -0.000 22.042) 22.462 3.907 ( -4.424 0.000 -9.590) 10.562 3.979 ( -2.396 0.000 17.152) 17.319 4.532 ( -4.311 0.000 -10.215) 11.088 4.554 ( -15.677 0.000 -3.780) 16.126 4.989 ( -12.757 0.000 -1.009) 12.797 5.263 ( 0.457 -0.000 4.895) 4.916 5.354 ( 11.555 -0.000 16.781) 20.375 6.101 ( -9.110 0.000 7.245) 11.640 6.325 ( -8.664 0.000 14.482) 16.876 6.682 ( -0.708 0.000 -6.692) 6.729 6.882 ( 2.573 -0.000 -14.106) 14.339 7.182 ( -2.766 0.000 24.522) 24.678 7.786 ( -9.910 0.000 8.666) 13.164 9.019 ( -0.463 0.000 0.594) 0.753 9.236 ( 0.647 -0.000 -5.503) 5.541 9.492 ( 5.564 -0.000 4.722) 7.298 10.073 ( -8.046 0.000 -6.206) 10.162 10.621 ( 21.287 -0.000 1.636) 21.350 11.534 ( 6.254 -0.000 -14.139) 15.460 11.809 ( 6.105 -0.000 -2.018) 6.430 11.942 ( -8.037 0.000 14.437) 16.523 12.713 ( -6.437 0.000 -1.977) 6.733 13.043 ( 8.303 -0.000 2.344) 8.628 14.054 ( -7.939 0.000 -15.530) 17.442 18.397 ( 6.884 -0.000 -11.151) 13.105 18.610 ( -10.032 0.000 5.115) 11.260 18.687 ( -10.121 0.000 -10.754) 14.768 19.488 ( -17.604 0.000 2.630) 17.799 20.952 ( 15.633 -0.000 12.740) 20.167 22.104 ( -0.008 0.000 -14.458) 14.458 23.132 ( 1.288 -0.000 2.351) 2.680 23.750 ( 5.773 -0.000 -1.708) 6.020 ======================= Grid point 221 (98/361) ======================= q-point: ( 0.20 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 6.229 13.750 19.318) 24.516 2.661 ( 11.378 -12.825 17.898) 24.785 3.343 ( 2.547 3.597 -7.449) 8.655 3.616 ( -1.726 5.355 2.107) 6.007 3.727 ( -0.919 -1.056 -8.916) 9.025 4.122 ( -3.907 -2.628 12.830) 13.667 4.293 ( -1.007 6.712 -11.466) 13.324 4.428 ( -1.162 -6.743 -7.699) 10.301 4.862 ( -12.036 -5.332 3.954) 13.745 5.291 ( -6.060 0.923 5.433) 8.191 5.740 ( 8.729 -1.656 19.628) 21.546 6.044 ( -8.651 -1.186 2.887) 9.197 6.372 ( -12.473 1.123 14.327) 19.029 6.542 ( -1.913 1.295 -4.579) 5.128 6.787 ( 6.004 4.402 -7.778) 10.766 7.349 ( -4.255 17.081 18.908) 25.833 7.801 ( -13.239 -20.029 9.788) 25.927 9.003 ( 0.378 5.123 0.525) 5.163 9.171 ( -2.359 -0.111 -2.286) 3.287 9.710 ( 10.760 1.627 5.658) 12.265 9.897 ( -5.049 -6.530 -5.368) 9.846 10.928 ( 18.239 3.106 2.423) 18.659 11.461 ( 8.045 3.420 -9.182) 12.678 11.864 ( 6.936 1.974 -2.018) 7.489 12.042 ( -6.185 -10.999 9.749) 15.946 12.584 ( -8.649 1.893 -0.789) 8.889 13.141 ( 6.178 -0.842 -5.488) 8.306 13.803 ( -6.453 1.698 -5.931) 8.928 18.255 ( -5.030 8.195 -4.485) 10.611 18.458 ( -2.776 -4.957 -13.320) 14.481 18.656 ( 1.733 -5.163 0.680) 5.488 19.263 ( -18.897 -0.099 4.177) 19.353 21.269 ( 11.208 8.903 12.640) 19.096 21.964 ( 5.251 -5.617 -16.577) 18.274 23.208 ( 3.320 -3.313 1.792) 5.021 23.799 ( 4.793 1.220 -1.604) 5.199 ======================= Grid point 222 (99/361) ======================= q-point: ( 0.30 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -2.846 17.360 8.989) 19.755 3.080 ( 2.290 -9.332 6.472) 11.586 3.204 ( -2.416 3.050 2.064) 4.405 3.506 ( 3.136 6.478 -6.029) 9.389 3.594 ( -6.287 2.304 -7.448) 10.015 4.159 ( 8.271 3.439 -12.853) 15.667 4.282 ( -4.956 -6.884 12.992) 15.516 4.419 ( 3.215 -8.680 -5.650) 10.845 4.807 ( -11.617 -7.299 4.267) 14.368 5.205 ( -12.056 0.210 3.225) 12.482 5.869 ( -6.354 2.470 -5.385) 8.687 5.986 ( -4.534 -4.219 -2.755) 6.778 6.390 ( -11.357 2.492 30.795) 32.917 6.568 ( 1.533 -0.354 3.191) 3.558 6.773 ( 5.063 7.091 0.463) 8.725 7.280 ( -3.341 13.092 6.644) 15.057 7.963 ( -10.472 -19.058 12.197) 24.933 8.949 ( -1.059 9.227 1.721) 9.446 9.137 ( -0.745 -0.269 0.214) 0.820 9.640 ( -6.371 -1.719 -7.607) 10.070 10.140 ( 13.469 -8.236 8.826) 18.088 11.015 ( 9.902 21.874 -2.120) 24.104 11.583 ( 11.698 -5.385 4.694) 13.707 11.911 ( 6.501 1.074 -4.027) 7.722 12.185 ( -2.433 -13.683 5.770) 15.048 12.435 ( -8.283 2.842 0.408) 8.766 13.056 ( -2.820 -0.380 -12.847) 13.158 13.759 ( 3.485 -0.420 2.484) 4.301 18.070 ( -4.364 4.080 -8.616) 10.484 18.320 ( -2.411 -4.434 -7.859) 9.340 18.747 ( 5.340 -2.520 -0.549) 5.930 19.114 ( -11.930 -2.575 5.804) 13.515 21.320 ( 5.148 19.607 -1.770) 20.349 22.021 ( 4.856 -17.497 -3.585) 18.509 23.315 ( 4.960 -3.055 1.706) 6.070 23.823 ( 3.651 3.041 -0.893) 4.834 ======================= Grid point 223 (100/361) ======================= q-point: (-0.60 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( -8.749 20.332 2.336) 22.257 2.870 ( -17.355 5.668 -2.981) 18.499 3.347 ( 0.108 6.308 -0.306) 6.316 3.463 ( 1.863 -7.114 -5.177) 8.993 3.504 ( 0.575 -4.873 3.790) 6.201 4.054 ( 3.032 7.528 -13.361) 15.633 4.290 ( -11.119 -2.677 3.844) 12.065 4.600 ( 3.472 -15.521 4.288) 16.472 4.793 ( -3.903 -7.445 1.854) 8.608 5.084 ( -10.933 -4.083 3.180) 12.096 5.637 ( -10.231 5.671 -3.039) 12.086 5.872 ( -6.890 -2.652 -5.744) 9.354 6.522 ( -10.410 3.845 11.856) 16.239 6.685 ( -1.025 -3.953 15.192) 15.731 6.795 ( -0.738 6.736 7.686) 10.247 7.263 ( 4.435 3.714 2.711) 6.389 8.099 ( -8.016 -14.046 7.599) 17.869 8.851 ( -2.495 13.270 2.805) 13.791 9.162 ( 1.720 -1.872 0.978) 2.724 9.499 ( -6.545 -7.214 -6.573) 11.751 10.481 ( 12.145 -4.237 7.856) 15.072 10.862 ( 6.075 28.659 -2.015) 29.365 11.825 ( -1.617 -1.256 10.613) 10.809 11.922 ( 3.813 1.371 -3.891) 5.617 12.345 ( 2.682 -8.623 4.955) 10.301 12.390 ( 4.949 -3.874 -0.840) 6.341 12.824 ( -8.871 0.342 -10.044) 13.405 13.914 ( 10.928 -5.241 0.802) 12.146 17.813 ( -6.352 -0.194 -18.316) 19.387 18.342 ( 4.107 -0.558 5.165) 6.622 18.819 ( 2.550 -2.155 -0.014) 3.338 19.125 ( -0.619 -4.241 4.944) 6.543 21.101 ( 1.542 17.819 -12.482) 21.811 22.227 ( -2.332 -18.486 5.358) 19.387 23.436 ( 6.009 -2.065 2.003) 6.662 23.833 ( 3.405 4.681 0.803) 5.844 ======================= Grid point 224 (101/361) ======================= q-point: (-0.50 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -11.959 21.244 2.172) 24.475 2.496 ( -20.764 12.365 -1.872) 24.239 3.348 ( -3.102 9.322 0.256) 9.828 3.387 ( -3.398 -7.457 -0.580) 8.215 3.575 ( -1.698 -5.999 -6.777) 9.208 3.819 ( -9.726 3.898 -1.829) 10.636 4.184 ( -12.356 -4.655 3.021) 13.545 4.814 ( 1.874 -15.034 1.748) 15.251 4.885 ( 5.298 -4.765 2.291) 7.484 5.076 ( -5.593 -7.082 4.844) 10.242 5.477 ( -9.082 -0.591 3.197) 9.646 5.733 ( -5.361 -1.296 -5.155) 7.549 6.421 ( -13.045 2.287 4.476) 13.980 6.718 ( -11.807 6.276 12.305) 18.171 6.926 ( 2.507 -5.281 7.950) 9.868 7.369 ( 6.605 -2.198 0.225) 6.965 8.179 ( -5.491 -9.718 4.258) 11.946 8.731 ( -1.827 14.232 4.194) 14.949 9.225 ( 3.332 -2.310 -0.217) 4.060 9.449 ( -4.326 -11.144 -2.443) 12.202 10.626 ( 5.664 25.060 -3.605) 25.944 10.744 ( 7.068 5.347 6.880) 11.220 11.783 ( -14.578 3.350 8.431) 17.170 11.889 ( -1.358 2.557 -1.874) 3.449 12.432 ( -0.450 -5.198 -10.854) 12.043 12.590 ( 5.289 -2.879 2.354) 6.466 12.724 ( 8.490 -3.222 8.730) 12.597 14.143 ( 14.415 -9.878 -3.725) 17.868 17.500 ( -6.091 -0.044 -18.764) 19.728 18.522 ( 7.810 0.924 9.430) 12.279 18.869 ( 2.356 -1.356 0.779) 2.828 19.264 ( 7.191 -3.484 4.070) 8.967 20.783 ( -1.791 14.167 -16.245) 21.629 22.366 ( -11.907 -18.395 6.378) 22.822 23.554 ( 5.651 -0.673 0.892) 5.760 23.881 ( 4.858 3.876 5.631) 8.386 ======================= Grid point 225 (102/361) ======================= q-point: (-0.40 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -14.350 20.942 5.703) 26.019 2.034 ( -24.364 15.673 -3.373) 29.165 2.919 ( -20.869 28.885 0.371) 35.637 3.493 ( -9.410 -9.081 -2.011) 13.231 3.574 ( 1.808 -11.297 7.784) 13.838 3.744 ( -4.858 -3.469 1.691) 6.204 4.164 ( -5.080 -8.644 6.534) 11.968 4.937 ( 0.433 -10.794 -3.411) 11.328 5.050 ( 6.230 -2.477 5.339) 8.570 5.131 ( -5.375 -8.904 5.172) 11.616 5.459 ( -9.687 -12.323 4.094) 16.200 5.650 ( -0.795 0.923 -1.272) 1.762 6.246 ( -18.511 -2.729 3.839) 19.100 6.643 ( -8.647 5.666 8.263) 13.234 7.052 ( -2.407 -5.183 3.959) 6.952 7.434 ( 5.363 -3.592 -7.702) 10.049 8.216 ( -1.469 -0.469 2.020) 2.541 8.703 ( 0.363 5.629 8.292) 10.029 9.278 ( 4.047 -0.365 -0.816) 4.145 9.513 ( -2.690 -14.826 0.914) 15.096 10.383 ( 2.998 28.356 -5.117) 28.969 10.850 ( 2.998 6.512 5.318) 8.926 11.637 ( -17.030 2.107 9.023) 19.388 11.817 ( -2.280 2.326 -1.492) 3.583 12.266 ( -4.942 -1.026 -8.701) 10.059 12.706 ( 2.639 -6.789 1.351) 7.408 13.064 ( 17.897 2.056 7.204) 19.401 14.378 ( 14.932 -12.918 -8.607) 21.538 17.242 ( -3.913 0.774 -9.579) 10.376 18.715 ( 6.947 1.536 5.953) 9.277 18.936 ( 6.434 2.885 1.386) 7.186 19.462 ( 11.094 0.002 4.525) 11.981 20.439 ( -4.338 9.338 -15.701) 18.777 22.375 ( -20.762 -20.017 5.494) 29.359 23.604 ( 4.093 2.178 -1.999) 5.048 24.048 ( 5.687 -1.130 10.639) 12.117 ======================= Grid point 226 (103/361) ======================= q-point: (-0.30 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( -15.094 19.813 11.520) 27.442 1.459 ( -27.586 19.567 -4.183) 34.079 2.474 ( -19.749 33.673 23.037) 45.328 3.430 ( -9.741 -9.657 -0.274) 13.719 3.714 ( -4.832 -1.727 2.036) 5.520 3.771 ( -0.717 -10.074 7.011) 12.295 4.359 ( 3.364 -13.787 7.312) 15.964 4.956 ( -2.245 -9.801 -4.828) 11.154 5.200 ( 1.819 0.658 8.505) 8.722 5.221 ( -7.425 -16.167 6.998) 19.117 5.468 ( -8.522 -13.013 -2.508) 15.756 5.645 ( -3.877 -0.100 4.519) 5.955 6.109 ( -13.917 -9.075 5.496) 17.500 6.574 ( -4.429 5.372 3.401) 7.749 7.026 ( -10.604 -2.830 1.644) 11.098 7.432 ( 6.443 -3.690 -10.686) 13.012 8.194 ( 4.609 10.461 -2.363) 11.672 8.778 ( -0.971 -4.033 2.639) 4.916 9.363 ( 5.647 0.923 5.712) 8.085 9.612 ( -5.819 -16.784 -0.048) 17.764 10.102 ( 0.764 25.982 -5.546) 26.578 10.834 ( -1.537 12.084 4.536) 12.999 11.516 ( -14.636 -0.980 9.753) 17.616 11.758 ( -2.458 0.937 -0.627) 2.705 12.160 ( -1.525 -1.031 -2.919) 3.451 12.793 ( 1.860 -5.833 -1.888) 6.407 13.245 ( 13.317 9.543 -8.301) 18.366 14.561 ( 12.055 -13.504 -12.268) 21.868 17.264 ( 5.098 -5.308 14.127) 15.929 18.818 ( 3.945 -0.977 -0.227) 4.070 19.011 ( 12.948 11.543 -1.097) 17.381 19.648 ( 9.956 7.378 5.857) 13.707 20.164 ( -3.312 1.402 -11.677) 12.219 22.303 ( -27.978 -24.967 7.094) 38.163 23.605 ( 3.656 2.838 -2.498) 5.259 24.234 ( 0.594 -4.211 4.892) 6.482 ======================= Grid point 227 (104/361) ======================= q-point: (-0.20 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -6.479 22.058 14.296) 27.072 1.195 ( -12.067 15.448 19.761) 27.834 2.356 ( -14.105 27.275 40.845) 51.100 3.388 ( -6.023 -7.702 -1.367) 9.873 3.702 ( -2.318 0.205 6.026) 6.460 3.929 ( -1.754 -9.845 6.225) 11.779 4.553 ( 2.271 -12.759 -2.386) 13.177 4.909 ( -12.714 -9.569 -3.370) 16.266 5.296 ( 1.272 0.443 3.496) 3.746 5.366 ( -3.659 -1.805 -4.485) 6.063 5.410 ( -17.327 -32.073 13.513) 38.879 5.667 ( -4.100 -1.204 10.747) 11.565 6.151 ( -6.186 -9.870 5.922) 13.067 6.516 ( 1.618 5.459 -0.575) 5.723 6.907 ( -11.610 -1.797 3.594) 12.285 7.409 ( 3.434 -3.046 -10.915) 11.841 8.061 ( 4.870 22.273 -7.682) 24.059 8.813 ( -2.140 -7.453 1.537) 7.905 9.518 ( 3.802 2.099 3.121) 5.348 9.623 ( -9.078 -17.322 -0.517) 19.564 9.843 ( 1.840 22.552 -3.131) 22.843 10.723 ( -2.616 16.961 4.251) 17.680 11.506 ( -9.300 -5.348 11.609) 15.807 11.713 ( -1.268 0.245 -1.906) 2.302 12.143 ( 1.207 1.564 -1.846) 2.704 12.803 ( 0.895 -2.663 -6.382) 6.973 13.076 ( 3.441 16.372 -12.914) 21.135 14.638 ( 6.598 -11.387 -15.741) 20.518 17.805 ( 14.521 -22.404 22.147) 34.688 18.843 ( -2.283 -5.865 -2.885) 6.923 19.113 ( 26.759 15.567 -3.165) 31.119 19.680 ( -0.485 13.191 3.106) 13.560 20.099 ( 5.840 -3.777 -3.803) 7.927 22.243 ( -31.948 -32.348 11.240) 46.834 23.606 ( 3.700 1.963 -2.183) 4.723 24.128 ( -13.941 5.183 -10.460) 18.183 ======================= Grid point 228 (105/361) ======================= q-point: (-0.10 0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( -4.570 5.513 27.307) 28.231 1.284 ( 20.435 9.219 24.582) 33.269 2.557 ( -3.334 18.273 46.694) 50.253 3.364 ( -0.722 -4.572 -3.998) 6.116 3.790 ( -4.117 -2.566 11.185) 12.191 4.025 ( -2.808 -6.979 2.474) 7.919 4.634 ( 0.508 -9.250 -1.148) 9.334 4.762 ( -17.741 -3.841 10.169) 20.806 5.232 ( -3.197 -1.790 -7.327) 8.192 5.307 ( 1.323 3.728 -5.120) 6.470 5.445 ( -23.941 -20.306 -1.399) 31.424 5.963 ( 4.646 -10.364 23.242) 25.869 6.160 ( -8.117 -3.142 3.852) 9.518 6.512 ( -1.341 0.415 2.518) 2.883 6.880 ( -0.222 -3.076 2.577) 4.019 7.288 ( -1.118 0.979 -13.764) 13.844 7.852 ( 1.884 23.608 4.412) 24.090 8.908 ( -0.822 -7.670 4.779) 9.074 9.405 ( -4.003 3.792 -6.836) 8.783 9.608 ( -6.715 2.677 -1.616) 7.408 9.863 ( 13.168 -4.542 1.695) 14.032 10.579 ( -0.490 19.441 2.248) 19.577 11.597 ( -7.246 -9.052 9.862) 15.222 11.674 ( 2.946 0.220 -5.595) 6.327 12.061 ( 0.317 10.781 -3.901) 11.469 12.766 ( 3.272 1.121 -0.827) 3.556 12.912 ( -0.938 5.782 -2.078) 6.215 14.561 ( 0.642 -7.385 -19.247) 20.626 18.258 ( 7.971 -13.451 -0.678) 15.650 18.789 ( -10.395 -10.987 -3.363) 15.494 19.316 ( 7.462 9.095 -4.839) 12.721 19.601 ( 9.538 7.956 -0.525) 12.432 20.259 ( 11.378 -4.131 4.696) 12.984 22.265 ( -26.393 -33.761 9.629) 43.922 23.553 ( -12.500 18.412 -8.510) 23.826 23.660 ( -1.083 7.116 -3.311) 7.923 ======================= Grid point 231 (106/361) ======================= q-point: ( 0.20 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -2.196 0.000 8.799) 9.069 2.906 ( 6.349 -0.000 11.660) 13.277 3.243 ( -7.112 0.000 -2.205) 7.446 3.595 ( 1.426 0.000 -9.608) 9.713 3.595 ( -3.485 0.000 -6.395) 7.283 4.199 ( -7.408 0.000 15.982) 17.616 4.242 ( 0.909 -0.000 -4.625) 4.713 4.296 ( 10.083 -0.000 -15.547) 18.530 4.745 ( -9.736 0.000 4.659) 10.793 5.207 ( -13.124 0.000 2.341) 13.331 5.908 ( -1.547 0.000 -2.566) 2.996 5.924 ( -6.965 0.000 -2.899) 7.544 6.414 ( -13.951 0.000 28.218) 31.479 6.567 ( 1.723 -0.000 5.245) 5.521 6.832 ( 8.500 -0.000 -5.702) 10.235 7.508 ( -15.260 0.000 3.766) 15.718 7.685 ( -3.998 0.000 20.424) 20.812 9.036 ( 0.108 -0.000 0.491) 0.503 9.131 ( -2.696 0.000 1.548) 3.109 9.631 ( -8.298 0.000 -10.294) 13.222 10.060 ( 16.736 -0.000 11.126) 20.097 11.269 ( 17.191 -0.000 6.808) 18.490 11.512 ( 13.633 -0.000 -9.247) 16.474 11.933 ( 5.538 -0.000 -3.314) 6.453 12.013 ( -6.726 0.000 11.210) 13.073 12.463 ( -9.477 0.000 0.585) 9.495 13.052 ( -1.807 0.000 -13.115) 13.238 13.755 ( 1.530 -0.000 1.708) 2.293 18.134 ( -6.816 0.000 -17.953) 19.203 18.244 ( -2.904 0.000 3.306) 4.400 18.736 ( 10.051 -0.000 -3.018) 10.494 19.089 ( -12.867 0.000 5.064) 13.827 21.621 ( 5.745 -0.000 16.299) 17.282 21.742 ( 2.954 -0.000 -22.256) 22.451 23.286 ( 5.351 -0.000 2.837) 6.056 23.850 ( 4.039 -0.000 -0.997) 4.161 ======================= Grid point 232 (107/361) ======================= q-point: (-0.70 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -7.636 16.203 2.561) 18.094 2.887 ( -12.698 -4.200 -4.609) 14.146 3.266 ( 1.167 -7.864 -1.575) 8.105 3.414 ( -8.029 0.683 -7.816) 11.226 3.553 ( 0.804 4.136 5.474) 6.908 4.173 ( 4.191 6.290 -12.577) 14.673 4.263 ( -7.233 -0.750 9.013) 11.580 4.343 ( -0.064 -11.713 3.601) 12.254 4.727 ( 1.789 -0.930 1.708) 2.642 5.016 ( -15.482 -2.854 -0.538) 15.752 5.724 ( -9.541 3.825 -5.250) 11.542 5.814 ( -5.474 -3.149 -5.313) 8.253 6.577 ( -18.062 0.936 28.442) 33.705 6.651 ( 3.752 0.811 4.418) 5.853 6.859 ( 4.337 0.599 -4.178) 6.052 7.359 ( -6.966 5.605 5.654) 10.579 7.874 ( -5.254 -9.149 12.468) 16.333 9.023 ( -0.849 5.285 2.457) 5.889 9.130 ( -2.084 -1.199 2.569) 3.519 9.415 ( -5.823 -2.322 -10.158) 11.937 10.425 ( 14.765 -1.753 10.644) 18.286 11.362 ( 9.170 26.211 0.646) 27.777 11.734 ( 10.331 -11.414 3.157) 15.715 11.942 ( 3.049 0.922 -3.608) 4.813 12.123 ( -4.336 -10.009 8.804) 14.018 12.386 ( 0.823 0.316 2.474) 2.627 12.825 ( -7.767 -0.026 -12.095) 14.374 13.847 ( 8.492 -2.065 -0.712) 8.768 17.812 ( -6.740 0.019 -19.401) 20.538 18.320 ( 2.071 -1.139 9.191) 9.490 18.824 ( 10.002 1.357 -5.036) 11.280 19.058 ( -2.225 -2.674 5.823) 6.783 21.407 ( -0.358 14.612 -18.514) 23.588 21.919 ( -2.072 -14.543 10.562) 18.093 23.408 ( 5.893 -0.908 3.567) 6.948 23.889 ( 3.690 1.632 0.102) 4.036 ======================= Grid point 233 (108/361) ======================= q-point: (-0.60 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( -9.674 19.575 -0.494) 21.841 2.652 ( -15.996 5.099 -1.507) 16.857 3.247 ( -8.631 -7.108 -4.113) 11.914 3.274 ( -3.423 -11.376 -4.315) 12.639 3.624 ( 1.835 5.189 6.283) 8.353 3.942 ( -6.726 5.895 -12.337) 15.238 4.178 ( -14.668 6.724 7.226) 17.680 4.548 ( 1.265 -13.128 7.921) 15.385 4.804 ( 3.785 -4.260 -0.434) 5.715 4.918 ( -5.755 -9.739 1.449) 11.404 5.503 ( -12.028 1.870 -1.920) 12.323 5.716 ( -2.202 -0.430 -4.194) 4.756 6.497 ( -19.694 5.157 10.788) 23.040 6.748 ( -6.448 -0.537 7.884) 10.199 6.879 ( 2.641 -2.513 1.691) 4.019 7.352 ( 0.438 0.754 3.382) 3.493 8.000 ( -4.721 -8.608 7.978) 12.650 8.969 ( -1.734 11.260 3.308) 11.864 9.156 ( -0.749 -4.685 1.061) 4.862 9.298 ( -2.198 -5.920 -5.733) 8.529 10.724 ( 10.726 0.281 8.042) 13.409 11.204 ( 5.622 31.116 -0.126) 31.620 11.833 ( -7.965 1.353 3.903) 8.972 11.920 ( -3.416 0.880 0.274) 3.538 12.247 ( 1.284 -15.507 -2.233) 15.720 12.565 ( -2.026 0.078 -4.711) 5.129 12.656 ( 11.410 -3.619 7.949) 14.369 13.993 ( 12.514 -6.487 -5.894) 15.278 17.499 ( -5.847 -0.023 -17.844) 18.777 18.526 ( 6.762 -0.256 12.553) 14.261 18.880 ( 9.642 1.964 -4.666) 10.890 19.199 ( 7.894 -3.466 5.760) 10.369 21.025 ( -4.262 12.230 -20.026) 23.850 22.072 ( -11.270 -14.002 9.018) 20.109 23.541 ( 5.090 -0.668 4.142) 6.596 23.936 ( 4.323 2.230 1.916) 5.228 ======================= Grid point 234 (109/361) ======================= q-point: (-0.50 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( -10.691 20.642 1.306) 23.283 2.298 ( -18.666 14.505 -3.047) 23.835 3.158 ( -12.095 -8.920 -0.649) 15.043 3.357 ( -1.126 -12.782 4.239) 13.514 3.549 ( -8.572 19.903 -1.065) 21.696 3.700 ( -4.595 -1.606 1.147) 5.001 4.044 ( -9.535 -2.632 6.050) 11.595 4.721 ( -1.232 -11.463 0.940) 11.567 4.941 ( 1.498 -11.456 6.112) 13.071 4.967 ( -3.730 -8.417 0.232) 9.209 5.333 ( -11.815 -2.534 1.898) 12.231 5.680 ( 2.348 2.201 -0.365) 3.239 6.248 ( -24.504 1.900 5.771) 25.246 6.688 ( -6.732 0.462 1.153) 6.846 6.986 ( 1.124 -3.515 3.779) 5.282 7.382 ( 2.032 -1.335 -2.932) 3.809 8.109 ( -3.615 -8.045 8.222) 12.057 8.877 ( -0.340 11.290 1.416) 11.384 9.218 ( -1.634 -8.388 1.923) 8.759 9.307 ( 1.183 -5.649 -1.026) 5.862 10.865 ( 6.304 14.673 0.144) 15.971 11.016 ( 3.485 22.145 4.428) 22.851 11.701 ( -14.123 4.283 6.462) 16.110 11.849 ( -4.211 1.090 -0.893) 4.440 12.239 ( -2.811 -2.761 -9.295) 10.095 12.546 ( -0.448 -11.226 1.162) 11.294 13.050 ( 17.797 -2.426 9.237) 20.197 14.157 ( 14.106 -11.139 -10.838) 20.989 17.254 ( -3.316 0.559 -10.726) 11.241 18.738 ( 6.668 1.064 4.555) 8.145 18.984 ( 12.835 2.462 1.159) 13.120 19.455 ( 14.741 -0.644 7.165) 16.402 20.610 ( -7.637 9.396 -19.139) 22.648 22.067 ( -20.306 -14.599 6.139) 25.752 23.636 ( 2.893 1.349 2.380) 3.982 24.033 ( 5.007 -0.573 4.875) 7.011 ======================= Grid point 235 (110/361) ======================= q-point: (-0.40 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -12.016 20.591 5.191) 24.399 1.840 ( -16.959 23.047 -1.201) 28.640 3.011 ( -12.518 18.983 11.599) 25.527 3.270 ( -12.798 -1.979 1.730) 13.065 3.527 ( -3.731 -14.270 6.173) 15.990 3.728 ( 1.217 0.639 2.373) 2.742 4.130 ( -0.978 -11.557 8.411) 14.328 4.759 ( -5.414 -11.066 -1.865) 12.460 4.938 ( -11.471 -13.876 -1.765) 18.090 5.149 ( -1.576 -11.019 9.534) 14.656 5.282 ( -6.908 -3.325 5.775) 9.598 5.701 ( -0.041 3.998 2.458) 4.694 6.004 ( -15.897 -3.894 4.185) 16.894 6.612 ( -2.839 -0.443 -2.464) 3.785 7.013 ( -4.968 0.274 1.990) 5.359 7.369 ( 3.697 -2.314 -7.474) 8.654 8.233 ( -1.104 -4.950 8.002) 9.474 8.789 ( -0.967 5.784 -2.952) 6.565 9.289 ( -5.115 -12.473 1.731) 13.591 9.401 ( 4.109 -2.644 4.278) 6.494 10.640 ( 3.233 32.139 -5.337) 32.739 11.024 ( 0.290 9.585 7.419) 12.124 11.559 ( -12.515 4.447 8.270) 15.646 11.775 ( -3.673 0.717 -0.714) 3.809 12.144 ( -0.313 -0.683 -3.388) 3.470 12.653 ( 1.066 -10.334 -1.707) 10.528 13.323 ( 11.363 0.684 -1.379) 11.467 14.309 ( 12.710 -14.193 -14.254) 23.794 17.202 ( 2.663 -2.039 4.599) 5.692 18.795 ( 3.880 -1.389 -5.768) 7.089 19.182 ( 16.217 7.621 2.690) 18.119 19.765 ( 17.975 5.325 9.090) 20.835 20.216 ( -9.654 4.487 -15.606) 18.891 21.941 ( -26.763 -16.358 6.047) 31.943 23.658 ( 1.554 3.020 0.144) 3.399 24.164 ( 1.801 -3.635 3.526) 5.375 ======================= Grid point 236 (111/361) ======================= q-point: (-0.30 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -7.077 23.781 10.642) 26.997 1.534 ( -6.225 22.948 9.429) 25.579 2.859 ( -9.757 27.312 26.911) 39.565 3.220 ( -7.009 -10.991 0.577) 13.048 3.658 ( -5.723 -9.352 8.063) 13.610 3.776 ( 2.398 -2.292 2.458) 4.129 4.317 ( 0.158 -13.252 2.471) 13.482 4.734 ( -15.914 -10.263 4.889) 19.557 4.917 ( -13.793 -21.985 4.249) 26.299 5.259 ( -6.287 -6.307 4.248) 9.867 5.316 ( -0.568 -2.786 3.325) 4.375 5.692 ( -1.323 2.359 8.549) 8.967 6.011 ( -2.021 -6.349 4.793) 8.208 6.563 ( 1.782 -0.510 -5.155) 5.478 6.916 ( -8.604 2.974 2.265) 9.381 7.348 ( 2.706 -3.198 -8.775) 9.724 8.325 ( 2.734 6.224 3.434) 7.616 8.686 ( -4.066 -3.505 -3.486) 6.401 9.330 ( -6.730 -14.929 -1.023) 16.408 9.537 ( 2.850 0.055 6.355) 6.965 10.331 ( 2.716 30.985 -5.301) 31.552 10.992 ( -2.597 13.050 7.098) 15.080 11.494 ( -7.968 2.587 10.017) 13.058 11.720 ( -2.024 0.410 -1.180) 2.379 12.161 ( 3.806 0.919 0.893) 4.016 12.706 ( 0.486 -7.848 -4.503) 9.061 13.290 ( 2.418 7.455 -12.482) 14.739 14.402 ( 8.178 -14.639 -16.632) 23.618 17.503 ( 10.268 -12.106 18.256) 24.192 18.747 ( -1.547 -4.887 -9.661) 10.937 19.342 ( 20.749 10.574 -4.404) 23.700 19.878 ( -8.953 6.228 -3.643) 11.498 20.078 ( 14.267 4.306 4.447) 15.552 21.806 ( -26.583 -18.407 9.765) 33.776 23.646 ( 1.357 2.535 -0.842) 2.996 24.161 ( -6.210 -0.454 -4.393) 7.620 ======================= Grid point 237 (112/361) ======================= q-point: (-0.20 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -3.006 15.894 17.008) 23.472 1.509 ( 14.777 15.545 18.952) 28.622 2.931 ( -1.830 21.233 34.266) 40.353 3.249 ( -1.066 -7.927 -1.087) 8.072 3.734 ( -8.171 -4.067 11.741) 14.871 3.876 ( 1.490 -8.037 -0.200) 8.177 4.446 ( 2.941 -11.638 -0.690) 12.024 4.642 ( -26.093 -9.746 17.686) 32.994 5.025 ( -4.549 -18.801 0.005) 19.343 5.222 ( -6.503 -3.820 -0.361) 7.551 5.363 ( 1.722 1.714 0.332) 2.452 5.857 ( 2.543 -3.437 16.237) 16.790 6.078 ( -5.167 -5.548 4.741) 8.942 6.535 ( 0.612 0.779 -3.601) 3.735 6.840 ( -2.738 -0.539 1.869) 3.359 7.264 ( -1.553 -2.289 -11.163) 11.500 8.243 ( 1.136 19.032 1.061) 19.096 8.727 ( -1.916 -12.162 3.300) 12.746 9.346 ( -4.530 -11.090 -2.904) 12.327 9.592 ( -0.341 1.424 0.755) 1.647 10.083 ( 4.694 23.172 -2.812) 23.810 10.901 ( -2.477 16.081 5.346) 17.126 11.513 ( -6.915 -0.912 10.139) 12.307 11.679 ( 1.947 0.368 -4.818) 5.210 12.204 ( 4.820 6.196 -0.421) 7.861 12.720 ( 0.999 -5.237 -2.838) 6.040 13.067 ( -2.186 9.103 -7.989) 12.307 14.382 ( 2.412 -12.456 -19.321) 23.115 17.985 ( 10.260 -15.533 11.692) 21.983 18.617 ( -7.842 -8.274 -10.122) 15.245 19.451 ( 11.836 5.807 -8.078) 15.462 19.698 ( -5.954 1.237 -0.709) 6.122 20.270 ( 10.643 7.724 8.361) 15.583 21.810 ( -13.803 -18.632 11.168) 25.737 23.635 ( 1.132 1.183 -1.752) 2.398 23.893 ( -11.508 10.261 -9.396) 18.055 ======================= Grid point 238 (113/361) ======================= q-point: (-0.10 0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 2.589 4.371 23.354) 23.900 1.913 ( 22.218 7.803 18.258) 29.797 3.191 ( 4.708 6.421 20.661) 22.142 3.307 ( 2.729 0.741 6.244) 6.855 3.783 ( -11.028 -5.004 13.305) 17.991 3.933 ( 0.690 -5.975 -2.806) 6.637 4.530 ( -0.612 -9.134 -7.990) 12.151 4.666 ( -21.800 -7.597 25.544) 34.431 5.079 ( 6.405 -4.447 -4.425) 8.966 5.190 ( -6.817 -3.540 4.968) 9.148 5.310 ( 1.132 7.320 -4.732) 8.790 6.089 ( -8.406 -3.275 8.007) 12.062 6.193 ( 2.938 -10.182 19.997) 22.631 6.478 ( -5.227 -0.588 1.725) 5.536 6.854 ( 0.359 -4.291 -5.115) 6.686 7.113 ( -1.859 -1.666 -9.487) 9.810 8.124 ( -1.806 19.732 8.292) 21.480 8.849 ( -1.302 -11.273 2.024) 11.527 9.314 ( -1.916 -1.624 -4.150) 4.851 9.551 ( -0.737 3.054 -1.032) 3.307 10.014 ( 7.045 6.057 -1.708) 9.447 10.778 ( 0.559 16.944 1.740) 17.042 11.509 ( -7.216 -3.519 1.759) 8.219 11.685 ( 7.430 -0.739 -4.477) 8.706 12.171 ( 2.074 11.878 1.636) 12.168 12.749 ( -2.186 -3.901 -1.273) 4.649 12.960 ( 2.762 4.093 1.386) 5.129 14.235 ( -3.042 -8.869 -19.792) 21.900 18.279 ( 10.269 -7.357 -2.339) 12.848 18.468 ( -11.587 -11.210 -4.959) 16.868 19.289 ( -8.297 10.516 -7.631) 15.416 19.632 ( -10.400 -0.790 2.988) 10.850 20.513 ( 14.386 -1.392 9.242) 17.156 21.970 ( 0.884 -14.097 2.489) 14.342 23.466 ( -8.128 14.069 -6.461) 17.486 23.696 ( 3.156 1.545 -1.721) 3.913 ======================= Grid point 242 (114/361) ======================= q-point: ( 0.30 -0.70 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( -11.452 0.000 -5.645) 12.767 2.629 ( -9.700 0.000 3.683) 10.376 3.139 ( -4.814 0.000 -3.164) 5.761 3.180 ( -12.345 0.000 -7.082) 14.232 3.669 ( -0.143 0.000 6.188) 6.189 3.978 ( -7.928 0.000 -13.317) 15.498 4.344 ( -5.235 0.000 14.146) 15.084 4.383 ( 2.596 -0.000 6.696) 7.181 4.739 ( -15.151 0.000 -4.629) 15.842 4.821 ( 7.237 -0.000 0.621) 7.263 5.520 ( -13.920 0.000 -3.088) 14.259 5.715 ( 0.008 -0.000 -3.580) 3.580 6.549 ( -27.474 0.000 18.602) 33.179 6.776 ( 2.928 -0.000 6.835) 7.436 6.812 ( 1.717 -0.000 -8.737) 8.904 7.370 ( -4.317 0.000 6.304) 7.641 7.917 ( -3.242 0.000 9.671) 10.200 9.077 ( -0.545 0.000 3.686) 3.726 9.120 ( -4.023 0.000 3.620) 5.412 9.231 ( -0.758 0.000 -9.834) 9.863 10.725 ( 11.598 -0.000 9.362) 14.905 11.641 ( -3.058 0.000 5.907) 6.652 11.761 ( 13.951 -0.000 -6.381) 15.341 11.921 ( 0.354 -0.000 -3.276) 3.295 12.040 ( -13.925 0.000 7.777) 15.949 12.574 ( -9.593 0.000 -9.062) 13.196 12.616 ( 18.359 -0.000 9.884) 20.851 13.933 ( 11.651 -0.000 -6.535) 13.358 17.499 ( -5.720 0.000 -17.570) 18.478 18.522 ( 6.576 -0.000 14.038) 15.502 18.905 ( 12.717 -0.000 -8.898) 15.521 19.163 ( 7.469 -0.000 8.179) 11.076 21.151 ( -5.349 0.000 -24.527) 25.103 21.931 ( -10.719 0.000 13.036) 16.877 23.534 ( 4.912 -0.000 5.214) 7.164 23.956 ( 4.123 -0.000 0.817) 4.203 ======================= Grid point 244 (115/361) ======================= q-point: (-0.60 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -9.449 13.553 -2.371) 16.691 2.512 ( -10.401 7.195 0.308) 12.651 2.963 ( -13.975 -7.992 -1.119) 16.138 3.134 ( -4.291 -10.225 5.072) 12.194 3.682 ( -3.608 -0.437 0.642) 3.691 3.742 ( -5.955 1.064 -8.131) 10.135 4.229 ( -10.445 21.869 8.056) 25.539 4.577 ( -0.003 -5.102 6.281) 8.092 4.633 ( -7.400 -20.240 4.799) 22.078 4.888 ( 1.685 -2.125 -4.828) 5.538 5.318 ( -12.999 -0.077 3.462) 13.453 5.714 ( 3.812 1.187 -0.420) 4.014 6.280 ( -31.525 1.145 8.218) 32.598 6.705 ( -0.382 1.654 -7.740) 7.924 6.906 ( 2.451 -4.356 3.674) 6.204 7.387 ( -2.437 0.957 4.410) 5.128 7.999 ( -3.159 -3.561 8.955) 10.142 9.047 ( -2.269 6.023 -2.668) 6.967 9.089 ( -3.079 -3.098 1.446) 4.601 9.235 ( 3.415 -3.790 1.714) 5.382 10.954 ( 7.653 1.552 7.417) 10.770 11.505 ( -0.960 23.029 0.801) 23.063 11.772 ( -5.113 3.904 -0.754) 6.477 11.867 ( -6.425 2.629 1.905) 7.198 12.088 ( 1.923 -16.294 -3.364) 16.749 12.385 ( -7.179 -4.196 -2.866) 8.796 13.012 ( 17.759 -1.349 10.129) 20.489 14.016 ( 13.400 -4.295 -11.787) 18.356 17.260 ( -2.882 0.200 -11.285) 11.649 18.751 ( 6.378 0.376 3.978) 7.526 19.016 ( 16.148 1.005 -0.920) 16.205 19.444 ( 16.449 -0.403 9.941) 19.223 20.741 ( -9.245 4.398 -22.774) 24.969 21.880 ( -19.167 -5.869 8.361) 21.719 23.651 ( 2.189 0.406 5.618) 6.043 24.027 ( 4.629 -0.122 1.197) 4.783 ======================= Grid point 245 (116/361) ======================= q-point: (-0.50 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( -9.176 17.755 1.806) 20.068 2.237 ( -8.785 20.631 0.107) 22.424 2.925 ( -10.720 -13.053 5.816) 17.864 3.262 ( -5.788 -14.926 5.133) 16.812 3.497 ( -9.121 10.930 -1.085) 14.277 3.724 ( 0.751 -4.217 3.527) 5.549 4.072 ( -4.464 10.286 9.920) 14.971 4.604 ( -5.989 -5.948 2.842) 8.907 4.753 ( -10.957 -7.027 -9.577) 16.160 4.874 ( -1.757 -17.863 9.437) 20.278 5.277 ( -8.228 0.596 11.417) 14.086 5.766 ( 2.154 3.184 2.241) 4.450 5.950 ( -20.759 -2.505 2.784) 21.094 6.597 ( 0.431 -0.511 -8.995) 9.020 6.988 ( -0.166 -2.961 1.051) 3.146 7.376 ( -1.245 2.484 0.549) 2.833 8.110 ( -3.344 -6.798 9.836) 12.415 8.920 ( -2.042 6.955 -4.404) 8.482 9.096 ( -3.783 -7.636 -0.240) 8.525 9.369 ( 4.116 -2.020 6.864) 8.254 11.066 ( 4.700 9.426 2.778) 10.892 11.275 ( -1.861 23.387 0.845) 23.476 11.645 ( -8.584 5.188 4.009) 10.801 11.784 ( -5.611 0.891 1.118) 5.790 12.125 ( 1.659 -2.444 -3.542) 4.612 12.426 ( -0.631 -14.539 -0.232) 14.554 13.308 ( 9.932 -1.453 3.347) 10.581 14.096 ( 13.166 -8.972 -15.661) 22.341 17.181 ( 2.365 -0.543 -0.143) 2.430 18.774 ( 4.409 -0.947 -10.233) 11.182 19.280 ( 16.870 3.669 5.586) 18.145 19.829 ( 21.171 2.094 10.456) 23.705 20.306 ( -11.178 4.832 -18.281) 21.966 21.720 ( -24.468 -8.667 6.274) 26.705 23.705 ( -0.656 2.078 3.380) 4.021 24.110 ( 3.204 -2.357 0.752) 4.048 ======================= Grid point 246 (117/361) ======================= q-point: (-0.40 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -5.938 20.922 7.599) 23.038 1.979 ( -1.774 26.088 4.187) 26.482 2.995 ( -6.733 -12.793 5.439) 15.446 3.216 ( -9.985 4.952 5.865) 12.595 3.463 ( -2.195 -5.178 9.829) 11.325 3.810 ( 0.535 1.347 4.823) 5.036 4.137 ( -1.424 -3.460 8.887) 9.642 4.529 ( -20.802 -12.220 2.428) 24.248 4.655 ( -1.674 -7.842 0.895) 8.069 5.085 ( -2.960 -12.683 6.528) 14.568 5.281 ( -8.515 -1.417 9.628) 12.931 5.726 ( -3.638 1.229 5.289) 6.536 5.929 ( 0.985 -2.858 3.406) 4.554 6.523 ( 2.950 -3.041 -9.833) 10.707 6.967 ( -4.447 1.285 -0.122) 4.630 7.332 ( -0.074 2.173 -2.949) 3.664 8.259 ( -2.143 -9.513 9.228) 13.425 8.759 ( -3.126 8.269 -5.097) 10.204 9.111 ( -3.679 -9.701 -1.263) 10.452 9.524 ( 2.158 -1.301 8.267) 8.643 10.884 ( 2.738 29.996 -7.296) 30.992 11.175 ( -4.054 8.058 8.196) 12.188 11.560 ( -5.731 4.175 5.489) 8.967 11.726 ( -3.973 0.408 1.136) 4.153 12.179 ( 5.948 0.841 2.427) 6.479 12.527 ( 0.048 -12.313 -2.592) 12.583 13.361 ( 0.340 1.440 -6.359) 6.529 14.155 ( 10.072 -12.373 -18.023) 24.071 17.357 ( 8.837 -5.200 12.140) 15.891 18.673 ( 0.071 -3.416 -14.844) 15.232 19.491 ( 15.710 6.374 -1.689) 17.037 19.892 ( -12.228 -1.569 -13.532) 18.306 20.247 ( 20.232 11.186 12.646) 26.351 21.556 ( -21.946 -10.671 8.199) 25.743 23.690 ( -1.755 2.270 0.945) 3.021 24.136 ( -1.638 -1.912 -3.061) 3.963 ======================= Grid point 247 (118/361) ======================= q-point: (-0.30 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 5.705 18.369 9.960) 21.661 1.835 ( 2.870 22.860 10.558) 25.344 3.052 ( -2.118 -9.773 -1.058) 10.056 3.237 ( -2.356 5.294 17.680) 18.605 3.615 ( -3.046 -7.111 10.829) 13.308 3.839 ( -3.383 3.009 7.649) 8.889 4.247 ( 5.491 -9.831 -3.822) 11.891 4.441 ( -24.528 -10.902 19.365) 33.098 4.778 ( 0.652 -9.459 7.221) 11.918 5.143 ( -4.041 -5.326 0.561) 6.709 5.353 ( 0.260 -3.024 5.970) 6.697 5.808 ( 0.078 -2.467 10.042) 10.341 5.997 ( -1.713 -2.834 3.836) 5.067 6.500 ( 4.688 -4.336 -8.722) 10.810 6.873 ( -5.010 2.882 0.133) 5.781 7.248 ( -2.229 1.646 -6.446) 7.016 8.428 ( 0.669 -7.927 6.801) 10.467 8.588 ( -4.567 6.953 -1.643) 8.479 9.144 ( -1.438 -10.208 -1.738) 10.454 9.620 ( -1.247 0.968 5.834) 6.044 10.559 ( 2.412 29.113 -7.719) 30.215 11.126 ( -5.781 9.241 7.043) 12.978 11.539 ( -4.129 2.943 6.857) 8.528 11.686 ( -0.358 0.469 -2.352) 2.425 12.293 ( 7.510 3.713 2.069) 8.629 12.600 ( 1.155 -8.038 -0.237) 8.124 13.187 ( -5.627 4.383 -8.890) 11.398 14.148 ( 4.905 -13.217 -19.985) 24.458 17.752 ( 11.424 -10.429 15.421) 21.842 18.494 ( -5.267 -5.747 -15.012) 16.915 19.510 ( 2.282 0.730 -13.513) 13.724 19.686 ( -4.031 -0.535 0.293) 4.076 20.501 ( 11.788 16.167 11.033) 22.848 21.556 ( -6.196 -11.590 9.510) 16.222 23.652 ( -1.840 0.743 -0.750) 2.121 24.006 ( -6.367 3.502 -7.652) 10.553 ======================= Grid point 248 (119/361) ======================= q-point: (-0.20 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( 3.410 15.983 12.658) 20.671 2.053 ( 19.019 7.980 14.844) 25.412 3.112 ( 3.388 -8.630 -4.442) 10.281 3.379 ( -3.470 -1.769 12.576) 13.166 3.734 ( -2.035 -1.929 7.831) 8.318 3.876 ( -4.710 2.437 13.839) 14.820 4.344 ( 3.709 -11.585 -8.823) 15.027 4.540 ( -12.426 -5.314 26.033) 29.332 4.978 ( 1.353 -7.347 10.061) 12.532 5.133 ( -2.231 -2.481 1.771) 3.778 5.413 ( 2.201 3.661 0.730) 4.333 5.993 ( -1.045 -10.193 10.689) 14.807 6.034 ( -4.258 -2.653 8.511) 9.879 6.496 ( 0.928 -0.656 -3.180) 3.377 6.798 ( -2.685 -1.677 -4.364) 5.391 7.098 ( -3.502 1.543 -7.503) 8.422 8.436 ( -2.143 15.161 5.124) 16.147 8.611 ( -1.968 -15.358 2.561) 15.694 9.201 ( -0.224 -8.816 -1.965) 9.035 9.620 ( -1.224 4.420 2.768) 5.357 10.289 ( 3.817 22.133 -5.763) 23.188 11.014 ( -6.912 9.514 2.892) 12.110 11.516 ( -6.979 4.028 5.869) 9.969 11.676 ( 7.818 -0.423 -6.371) 10.094 12.339 ( 4.861 6.241 -0.536) 7.928 12.681 ( -1.257 -2.870 1.638) 3.535 13.020 ( -1.575 2.211 -1.021) 2.900 14.047 ( -0.488 -11.857 -20.368) 23.573 18.135 ( 10.606 -8.335 6.837) 15.123 18.305 ( -8.085 -7.489 -9.513) 14.559 19.339 ( -7.895 -4.345 -9.167) 12.854 19.649 ( -7.023 3.087 3.089) 8.270 20.599 ( 7.779 11.089 7.533) 15.499 21.779 ( 9.601 -8.385 5.464) 13.869 23.592 ( -3.998 1.300 -3.741) 5.628 23.779 ( -3.174 6.955 -6.274) 9.890 ======================= Grid point 249 (120/361) ======================= q-point: (-0.10 0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 3.787 2.653 16.982) 17.600 2.467 ( 21.687 5.266 14.286) 26.498 3.184 ( 5.443 -8.140 -6.317) 11.653 3.448 ( -6.463 -7.997 4.547) 11.243 3.760 ( -2.093 -3.996 -2.550) 5.182 4.025 ( -0.598 5.800 21.276) 22.061 4.338 ( 1.941 -5.369 -11.445) 12.790 4.628 ( -7.887 2.839 7.802) 11.451 5.137 ( -8.315 -0.504 12.942) 15.391 5.212 ( 0.591 -2.120 4.621) 5.118 5.448 ( 9.178 6.473 11.171) 15.841 6.062 ( -6.521 -2.856 9.273) 11.691 6.270 ( -1.968 -18.529 8.384) 20.432 6.465 ( -4.501 5.040 7.111) 9.810 6.673 ( -4.124 -4.214 -11.200) 12.658 7.020 ( 1.444 -2.725 -3.219) 4.459 8.324 ( -7.469 15.330 8.954) 19.261 8.738 ( -0.447 -12.865 0.702) 12.892 9.214 ( -2.110 -4.012 -3.141) 5.515 9.622 ( 3.533 4.312 2.710) 6.198 10.147 ( 4.851 13.135 -2.830) 14.285 10.857 ( -5.125 4.588 -2.749) 7.408 11.448 ( -1.487 4.658 1.399) 5.086 11.748 ( 9.684 -0.901 -4.128) 10.565 12.326 ( 1.875 9.732 2.469) 10.214 12.619 ( -8.440 -3.780 -2.045) 9.471 13.090 ( 7.071 1.912 4.002) 8.347 13.879 ( -4.568 -9.274 -16.360) 19.352 18.170 ( -4.086 -7.394 -7.634) 11.386 18.374 ( 7.052 -4.771 1.715) 8.685 19.124 ( -8.879 3.423 -9.644) 13.548 19.488 ( -19.731 4.481 8.445) 21.925 20.768 ( 11.291 -3.181 4.703) 12.639 22.017 ( 13.036 -1.307 -1.375) 13.173 23.417 ( -3.365 8.240 -4.895) 10.158 23.717 ( 2.502 -0.686 -2.137) 3.361 ======================= Grid point 254 (121/361) ======================= q-point: ( 0.40 -0.60 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( -6.971 0.000 -0.449) 6.985 2.462 ( -3.821 0.000 -0.077) 3.822 2.769 ( -12.460 0.000 7.552) 14.570 3.087 ( -7.937 0.000 6.283) 10.123 3.617 ( -2.647 0.000 -0.081) 2.648 3.618 ( -4.333 0.000 -0.850) 4.415 4.295 ( -7.599 0.000 2.782) 8.092 4.555 ( -4.175 0.000 14.075) 14.682 4.621 ( -2.373 0.000 8.978) 9.286 4.694 ( -9.454 0.000 -13.609) 16.570 5.284 ( -9.005 0.000 12.571) 15.464 5.799 ( 5.300 -0.000 2.249) 5.758 5.923 ( -25.358 0.000 2.163) 25.450 6.596 ( 1.975 -0.000 -12.658) 12.811 6.952 ( 1.189 -0.000 1.914) 2.254 7.408 ( -2.938 0.000 4.207) 5.132 8.043 ( -4.117 0.000 9.332) 10.200 8.977 ( -0.572 0.000 -6.195) 6.222 9.042 ( -5.136 0.000 0.643) 5.176 9.344 ( 4.267 -0.000 7.852) 8.936 11.128 ( 4.082 -0.000 6.678) 7.827 11.531 ( -9.487 0.000 2.990) 9.947 11.715 ( 0.199 -0.000 -7.771) 7.774 11.862 ( -8.381 0.000 2.977) 8.894 12.015 ( 7.241 -0.000 -0.711) 7.275 12.269 ( -3.614 0.000 1.039) 3.760 13.293 ( 9.500 -0.000 4.836) 10.660 14.015 ( 13.282 -0.000 -16.150) 20.910 17.177 ( 2.417 -0.000 -1.537) 2.864 18.765 ( 4.662 -0.000 -11.921) 12.800 19.312 ( 16.949 -0.000 6.598) 18.188 19.847 ( 21.379 -0.000 10.622) 23.872 20.354 ( -10.587 0.000 -19.207) 21.932 21.642 ( -23.709 0.000 6.787) 24.661 23.724 ( -1.742 0.000 5.105) 5.394 24.088 ( 3.954 -0.000 -0.852) 4.045 ======================= Grid point 256 (122/361) ======================= q-point: (-0.50 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -4.428 12.409 4.255) 13.846 2.395 ( 2.321 18.090 3.934) 18.658 2.780 ( -7.541 -9.284 7.457) 14.095 3.040 ( -9.408 -13.651 -0.404) 16.584 3.545 ( -3.123 7.507 7.359) 10.966 3.710 ( 0.019 -9.222 4.999) 10.490 4.251 ( -4.049 9.291 10.636) 14.692 4.370 ( -15.164 -5.240 -7.441) 17.685 4.618 ( -1.682 4.954 8.325) 9.832 4.828 ( -0.784 -15.589 10.162) 18.625 5.265 ( -13.984 -0.409 10.933) 17.755 5.737 ( -5.117 0.175 3.446) 6.172 5.902 ( 3.489 -0.600 3.336) 4.865 6.482 ( 3.852 -1.278 -13.463) 14.061 6.961 ( -1.390 -0.866 -1.464) 2.197 7.399 ( -1.984 3.419 2.248) 4.547 8.108 ( -5.440 -5.583 8.790) 11.749 8.881 ( -1.403 4.402 -4.688) 6.582 8.993 ( -3.400 -3.655 -0.619) 5.031 9.500 ( 1.935 -0.987 9.579) 9.822 11.216 ( 1.131 4.448 4.720) 6.584 11.371 ( -5.116 13.595 -2.880) 14.808 11.623 ( -0.155 2.463 -4.428) 5.070 11.752 ( -8.218 3.249 4.697) 10.008 12.159 ( 7.157 -4.619 1.570) 8.661 12.318 ( 0.155 -7.532 3.818) 8.446 13.367 ( -1.136 -0.121 -2.262) 2.534 13.998 ( 11.451 -4.794 -19.259) 22.913 17.302 ( 8.537 -1.369 8.684) 12.255 18.631 ( 1.155 -1.277 -17.759) 17.842 19.567 ( 12.805 2.216 1.685) 13.104 19.868 ( -11.733 -0.789 -16.777) 20.488 20.400 ( 23.478 5.036 13.118) 27.362 21.424 ( -21.385 -4.042 7.849) 23.135 23.720 ( -4.391 0.967 2.504) 5.147 24.107 ( 1.315 -0.984 -3.509) 3.874 ======================= Grid point 257 (123/361) ======================= q-point: (-0.40 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 1.844 14.111 6.996) 15.857 2.280 ( 2.491 25.971 3.996) 26.395 2.861 ( -1.277 -10.439 1.829) 10.674 3.123 ( -1.456 -15.701 2.884) 16.030 3.585 ( -2.079 2.920 12.366) 12.875 3.823 ( -6.727 -6.784 9.965) 13.805 4.121 ( -3.001 -5.753 -8.924) 11.034 4.385 ( -5.644 5.466 21.838) 23.208 4.680 ( -2.235 -0.698 10.738) 10.990 5.024 ( -0.686 -8.978 4.490) 10.061 5.272 ( -3.932 -4.789 10.175) 11.913 5.777 ( -0.310 -0.911 5.830) 5.908 5.975 ( 0.705 -0.245 3.288) 3.371 6.421 ( 6.194 -3.810 -11.832) 13.888 6.895 ( -4.175 -0.337 -3.631) 5.544 7.336 ( -2.334 7.191 -0.304) 7.566 8.204 ( -5.565 -12.376 6.593) 15.087 8.762 ( -1.699 8.724 -1.283) 8.980 9.000 ( -0.764 -6.257 -0.759) 6.349 9.625 ( -1.147 -0.154 9.106) 9.180 11.052 ( 2.019 24.855 -11.978) 27.665 11.235 ( -7.773 3.582 6.978) 11.043 11.586 ( 1.454 1.566 -0.427) 2.179 11.698 ( -5.540 0.835 4.162) 6.980 12.293 ( 4.362 -5.438 -1.611) 7.155 12.483 ( 5.788 -2.956 9.505) 11.515 13.230 ( -8.972 0.930 -6.578) 11.164 13.949 ( 7.418 -8.499 -21.168) 23.986 17.620 ( 11.989 -4.724 14.594) 19.468 18.415 ( -3.279 -3.188 -18.227) 18.792 19.498 ( -10.132 -1.173 -15.218) 18.320 19.694 ( 4.066 0.920 -0.664) 4.222 20.784 ( 16.458 14.799 12.887) 25.612 21.371 ( -5.947 -9.776 8.664) 14.353 23.661 ( -4.886 0.350 -0.011) 4.899 24.041 ( -2.368 0.861 -6.824) 7.274 ======================= Grid point 258 (124/361) ======================= q-point: (-0.30 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 4.901 21.197 3.160) 21.984 2.188 ( 9.819 7.580 11.159) 16.685 2.958 ( 4.302 -7.932 -3.067) 9.530 3.261 ( -1.383 -9.730 2.612) 10.169 3.658 ( -2.526 -4.893 0.508) 5.530 3.948 ( -10.306 0.908 29.089) 30.874 4.141 ( 9.259 -10.810 -10.514) 17.696 4.545 ( -1.676 6.885 23.565) 24.608 4.837 ( -2.903 -7.697 14.758) 16.896 5.094 ( -0.511 -2.540 2.224) 3.415 5.428 ( 3.129 -1.942 8.182) 8.973 5.854 ( -2.109 -5.137 5.487) 7.806 6.010 ( -2.348 -0.428 4.753) 5.319 6.437 ( 6.932 -4.718 -7.540) 11.277 6.777 ( -5.231 -1.390 -6.508) 8.465 7.200 ( -4.275 9.592 -1.650) 10.630 8.315 ( -6.421 -16.918 3.494) 18.430 8.667 ( -0.481 10.712 2.899) 11.108 9.058 ( 1.000 -7.089 -0.307) 7.166 9.685 ( -2.385 2.717 7.381) 8.219 10.713 ( 2.521 23.796 -12.352) 26.929 11.129 ( -11.426 4.728 3.107) 12.750 11.610 ( -0.666 4.447 6.136) 7.608 11.670 ( 3.058 0.504 -3.608) 4.756 12.348 ( 2.320 -5.028 -3.419) 6.508 12.692 ( 3.761 3.977 8.588) 10.184 13.029 ( -7.038 -1.162 -1.911) 7.385 13.844 ( 2.327 -10.253 -21.527) 23.957 18.005 ( 11.316 -5.956 12.444) 17.843 18.198 ( -5.166 -4.654 -12.674) 14.456 19.231 ( -10.382 -5.984 -10.373) 15.849 19.701 ( -0.987 2.235 0.042) 2.444 20.854 ( 1.501 16.187 6.183) 17.393 21.645 ( 14.925 -7.470 8.408) 18.688 23.587 ( -4.620 -0.958 -1.958) 5.109 23.881 ( -3.214 4.138 -8.276) 9.795 ======================= Grid point 259 (125/361) ======================= q-point: (-0.20 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.053 ( -0.361 10.586 6.153) 12.249 2.527 ( 19.846 1.559 12.683) 23.604 3.050 ( 6.582 -6.249 -4.597) 10.174 3.313 ( -2.323 -5.800 0.057) 6.248 3.629 ( -6.412 -9.646 -4.134) 12.298 4.166 ( -1.544 7.458 23.765) 24.955 4.229 ( 8.936 -6.689 -9.778) 14.839 4.714 ( -1.486 6.845 12.104) 13.985 5.041 ( -5.194 -9.132 14.677) 18.050 5.182 ( -1.127 -1.930 12.091) 12.296 5.564 ( 6.824 5.813 9.712) 13.217 5.939 ( -3.699 -10.881 3.185) 11.926 6.060 ( -4.586 -4.134 8.942) 10.867 6.497 ( 2.723 -1.693 -0.526) 3.249 6.616 ( -4.190 -2.695 -10.866) 11.954 7.050 ( -2.709 7.052 -1.124) 7.637 8.382 ( -10.041 -13.658 3.494) 17.308 8.639 ( 1.705 7.166 4.324) 8.541 9.121 ( 0.139 -5.787 -1.036) 5.881 9.707 ( 0.055 4.886 5.699) 7.507 10.444 ( 5.040 18.223 -9.388) 21.109 10.913 ( -14.400 3.560 -2.327) 15.015 11.591 ( -1.411 9.861 6.282) 11.777 11.728 ( 10.263 -1.555 -5.164) 11.593 12.383 ( 1.708 -3.870 -1.822) 4.606 12.613 ( -10.177 3.648 -0.764) 10.838 13.119 ( 7.261 1.201 7.933) 10.821 13.697 ( -1.823 -10.643 -17.790) 20.811 18.063 ( -2.479 -4.803 -7.170) 8.979 18.296 ( 7.087 -3.883 5.910) 10.012 19.062 ( -8.492 -7.292 -6.801) 13.098 19.609 ( -11.337 6.678 4.446) 13.888 20.803 ( 3.954 6.805 -0.939) 7.926 22.004 ( 17.760 -0.535 5.640) 18.642 23.496 ( -3.703 0.748 -3.975) 5.484 23.734 ( -0.228 2.504 -5.687) 6.218 ======================= Grid point 260 (126/361) ======================= q-point: (-0.10 0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( -4.369 -4.272 7.804) 9.911 2.929 ( 16.330 1.207 12.026) 20.316 3.123 ( 1.254 -5.784 -3.294) 6.773 3.341 ( 3.881 -4.543 -2.551) 6.497 3.574 ( -6.157 -9.177 -3.739) 11.666 4.209 ( 11.050 -0.578 -17.914) 21.056 4.345 ( -1.481 6.809 15.028) 16.565 4.672 ( -3.496 10.131 4.252) 11.529 5.155 ( -12.884 1.233 13.480) 18.688 5.227 ( -3.057 1.920 3.210) 4.831 5.865 ( 8.818 3.514 22.060) 24.016 5.986 ( -9.904 -16.655 -0.834) 19.395 6.129 ( -5.589 -1.386 8.613) 10.361 6.443 ( -4.720 -7.112 0.192) 8.538 6.596 ( 1.832 2.727 3.128) 4.536 7.009 ( 3.808 -1.268 -1.976) 4.474 8.360 ( -12.223 -0.525 8.387) 14.833 8.678 ( 0.971 -3.016 1.359) 3.448 9.132 ( -0.539 -2.551 -1.926) 3.242 9.744 ( 2.221 4.203 3.407) 5.849 10.320 ( 7.386 13.181 -3.238) 15.452 10.664 ( -11.178 -4.076 -6.531) 13.572 11.592 ( 3.833 9.550 6.376) 12.106 11.823 ( 9.370 -1.207 -4.454) 10.445 12.406 ( -4.455 -6.344 -1.388) 7.875 12.454 ( -4.337 6.251 1.716) 7.799 13.213 ( 2.809 2.468 -5.550) 6.692 13.634 ( 1.450 -6.961 -1.924) 7.367 18.030 ( -0.783 -3.747 -1.760) 4.213 18.403 ( 3.229 -3.773 -5.825) 7.655 18.943 ( -3.467 0.383 -4.834) 5.961 19.387 ( -19.394 10.067 8.732) 23.532 20.856 ( 7.825 -6.943 -4.362) 11.334 22.244 ( 13.627 7.550 2.728) 15.816 23.401 ( 0.356 3.677 -3.409) 5.027 23.700 ( 1.654 -2.925 -2.749) 4.341 ======================= Grid point 266 (127/361) ======================= q-point: (-0.50 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -1.986 -0.000 4.147) 4.598 2.642 ( 3.041 0.000 3.795) 4.863 2.751 ( 2.541 0.000 6.352) 6.842 2.843 ( -2.119 -0.000 -1.513) 2.604 3.676 ( -7.283 0.000 19.930) 21.219 3.685 ( -1.167 -0.000 -0.453) 1.252 4.062 ( -6.394 -0.000 -8.524) 10.655 4.452 ( -2.282 -0.000 20.420) 20.547 4.765 ( -1.276 0.000 6.306) 6.433 4.858 ( 0.349 -0.000 12.736) 12.741 5.227 ( -5.947 -0.000 10.056) 11.683 5.771 ( 0.047 -0.000 4.692) 4.692 5.975 ( 1.260 -0.000 3.189) 3.429 6.385 ( 6.726 -0.000 -13.121) 14.745 6.887 ( -3.825 -0.000 -4.487) 5.896 7.421 ( -1.171 -0.000 1.642) 2.017 8.076 ( -8.350 -0.000 6.670) 10.687 8.861 ( 1.137 -0.000 -2.641) 2.875 8.926 ( -3.108 0.000 0.652) 3.176 9.622 ( -1.002 -0.000 10.358) 10.407 11.263 ( -9.525 -0.000 5.586) 11.042 11.316 ( 3.793 -0.000 -12.889) 13.436 11.589 ( 4.807 -0.000 -7.547) 8.948 11.708 ( -9.393 -0.000 8.837) 12.896 12.200 ( 1.639 -0.000 0.597) 1.745 12.473 ( 8.936 -0.000 12.534) 15.393 13.236 ( -10.457 -0.000 -5.315) 11.730 13.871 ( 8.574 -0.000 -21.832) 23.455 17.580 ( 12.166 -0.000 13.839) 18.427 18.386 ( -2.521 -0.000 -19.388) 19.551 19.486 ( -13.385 -0.000 -15.282) 20.315 19.704 ( 5.807 -0.000 -1.407) 5.975 20.950 ( 26.269 -0.000 14.709) 30.106 21.252 ( -14.090 0.000 7.340) 15.887 23.664 ( -6.168 -0.000 0.288) 6.175 24.047 ( -0.833 -0.000 -6.673) 6.725 ======================= Grid point 268 (128/361) ======================= q-point: (-0.40 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 6.134 2.967 7.039) 9.797 2.488 ( -4.492 15.014 -3.617) 16.084 2.870 ( 8.336 -0.415 -0.088) 8.347 3.055 ( 7.342 -12.485 4.599) 15.196 3.601 ( -7.764 -1.300 -2.286) 8.198 3.903 ( -0.707 -3.596 23.318) 23.604 4.006 ( 3.617 -3.610 -0.860) 5.182 4.675 ( -2.503 1.540 22.982) 23.169 4.780 ( 0.008 4.852 5.374) 7.241 5.026 ( -1.221 -4.931 8.311) 9.741 5.375 ( 4.178 -2.496 13.814) 14.646 5.807 ( -2.241 -0.876 2.754) 3.657 6.008 ( -1.311 0.062 2.769) 3.064 6.370 ( 9.259 -2.180 -9.500) 13.443 6.753 ( -5.820 -0.895 -7.235) 9.328 7.378 ( -2.156 7.984 0.292) 8.275 8.057 ( -10.477 -10.141 5.058) 15.434 8.824 ( 0.348 7.130 0.972) 7.205 8.947 ( 0.247 -5.731 0.763) 5.787 9.716 ( -2.430 0.837 9.955) 10.282 11.021 ( -4.914 7.979 -15.948) 18.497 11.234 ( -4.613 7.648 0.580) 8.950 11.604 ( 7.902 -2.868 -6.861) 10.851 11.721 ( -6.042 2.579 11.738) 13.451 12.234 ( 0.424 -5.229 -1.316) 5.409 12.770 ( 9.478 3.357 13.993) 17.231 12.993 ( -13.819 -2.050 -4.316) 14.621 13.714 ( 4.377 -3.964 -22.574) 23.333 17.933 ( 11.889 -2.077 14.431) 18.813 18.142 ( -3.459 -1.671 -14.370) 14.875 19.158 ( -11.407 -2.142 -11.967) 16.671 19.726 ( 0.735 0.643 -1.179) 1.531 21.110 ( -4.956 10.574 3.293) 12.133 21.512 ( 21.506 -6.537 12.798) 25.866 23.572 ( -5.981 -0.509 -1.534) 6.195 23.927 ( -2.097 1.225 -8.777) 9.106 ======================= Grid point 269 (129/361) ======================= q-point: (-0.30 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -7.779 9.235 -3.995) 12.718 2.532 ( 15.728 -0.515 11.516) 19.500 2.993 ( 10.981 0.396 -2.359) 11.238 3.249 ( 5.927 -2.351 0.826) 6.429 3.463 ( -10.990 -7.994 -3.345) 13.995 4.102 ( 16.565 -6.341 -14.044) 22.624 4.260 ( -2.892 2.658 32.323) 32.560 4.852 ( 4.547 2.376 6.301) 8.125 4.864 ( -7.768 -3.667 17.072) 19.111 5.136 ( -3.546 -3.363 13.689) 14.535 5.639 ( 6.319 2.648 13.660) 15.282 5.800 ( -3.306 -4.504 1.376) 5.754 6.018 ( -3.862 -1.401 5.055) 6.514 6.444 ( 9.468 -3.126 -5.084) 11.192 6.574 ( -5.782 -1.813 -10.543) 12.160 7.239 ( -4.444 12.635 0.778) 13.416 8.084 ( -11.465 -16.958 4.582) 20.977 8.787 ( 0.602 7.884 2.940) 8.436 9.020 ( 1.107 -5.712 0.530) 5.843 9.779 ( -1.514 2.994 8.375) 9.022 10.690 ( -2.689 7.690 -17.409) 19.220 11.047 ( -9.528 11.968 -0.650) 15.311 11.681 ( 9.640 -3.722 -6.157) 12.029 11.751 ( -2.630 7.155 10.493) 12.969 12.272 ( 0.146 -6.724 -2.085) 7.042 12.678 ( -13.185 2.744 -2.318) 13.666 13.130 ( 9.198 0.085 13.497) 16.333 13.534 ( 0.347 -7.048 -20.233) 21.428 17.999 ( -1.182 -2.432 -6.794) 7.313 18.242 ( 7.346 -2.202 9.330) 12.077 18.941 ( -7.273 -5.352 -7.334) 11.633 19.688 ( -4.969 2.504 1.581) 5.784 20.958 ( -2.486 8.747 -4.802) 10.284 21.989 ( 20.608 -1.125 11.785) 23.766 23.480 ( -4.926 -1.496 -2.478) 5.714 23.780 ( -0.919 2.105 -8.885) 9.177 ======================= Grid point 270 (130/361) ======================= q-point: (-0.20 0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -11.488 -0.925 -1.287) 11.597 2.912 ( 14.392 -1.867 11.153) 18.303 3.043 ( -4.900 -3.605 -3.257) 6.901 3.313 ( 9.890 0.075 -1.477) 10.000 3.444 ( 2.791 -3.966 -0.767) 4.910 4.162 ( 12.928 -4.001 -19.201) 23.490 4.464 ( -1.126 6.462 12.457) 14.078 4.870 ( -2.743 11.548 9.169) 14.998 5.040 ( -4.313 -11.071 11.279) 16.382 5.298 ( -6.576 1.485 17.508) 18.761 5.683 ( -12.464 -11.627 0.873) 17.068 5.945 ( 4.662 3.209 11.330) 12.665 6.105 ( 1.375 -2.181 13.414) 13.660 6.367 ( -5.563 -1.862 -6.094) 8.459 6.588 ( 9.811 -3.366 -2.750) 10.730 7.090 ( -3.062 10.113 1.407) 10.659 8.141 ( -11.979 -18.236 6.157) 22.670 8.763 ( 0.257 7.661 2.859) 8.181 9.076 ( 0.966 -3.795 -0.606) 3.963 9.827 ( 0.732 4.570 5.945) 7.534 10.427 ( -1.706 -0.263 -15.368) 15.464 10.775 ( -8.912 15.070 -1.398) 17.564 11.754 ( 1.974 6.317 5.478) 8.591 11.796 ( 6.772 -0.524 -1.730) 7.009 12.285 ( -4.250 -6.255 -1.727) 7.757 12.518 ( -4.813 0.859 0.896) 4.970 13.237 ( -1.435 -0.336 -11.094) 11.192 13.525 ( 8.350 -4.447 6.158) 11.288 17.982 ( 1.228 -1.891 -0.276) 2.272 18.345 ( -0.093 -2.641 -4.222) 4.981 18.897 ( 0.190 -3.975 0.396) 3.999 19.559 ( -13.625 7.794 5.192) 16.533 20.813 ( 3.171 1.475 -10.894) 11.441 22.360 ( 16.037 5.346 10.111) 19.698 23.414 ( -2.037 -1.845 -2.419) 3.661 23.674 ( 0.975 -0.017 -6.812) 6.881 ======================= Grid point 271 (131/361) ======================= q-point: (-0.10 -0.50 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -13.188 -11.881 2.501) 17.926 2.877 ( -17.701 -12.358 -4.834) 22.123 3.173 ( 6.403 -0.647 4.855) 8.061 3.465 ( 4.789 1.097 3.259) 5.896 3.573 ( 17.104 5.155 1.162) 17.901 4.066 ( 5.077 -4.158 -22.474) 23.413 4.461 ( -2.677 5.099 2.260) 6.187 4.838 ( 2.783 12.345 2.901) 12.983 5.109 ( -10.914 -1.725 7.379) 13.287 5.280 ( -10.688 10.860 10.596) 18.559 5.608 ( -14.637 -14.793 -0.296) 20.813 5.985 ( -5.988 -1.653 0.536) 6.235 6.334 ( -0.288 -7.848 10.091) 12.787 6.463 ( 3.094 2.578 22.756) 23.110 6.685 ( 4.051 2.756 2.095) 5.328 7.061 ( 5.791 0.700 0.356) 5.844 8.219 ( -11.012 -15.217 8.417) 20.583 8.707 ( -2.006 6.873 0.410) 7.172 9.117 ( 3.028 -1.881 -0.552) 3.607 9.823 ( -2.223 7.005 0.853) 7.399 10.305 ( -0.693 -12.861 -10.527) 16.635 10.569 ( 0.046 13.590 0.969) 13.624 11.790 ( -2.960 5.055 10.668) 12.171 11.866 ( 6.687 -2.014 -5.143) 8.673 12.264 ( -1.647 -3.818 0.789) 4.232 12.519 ( 2.565 2.304 1.251) 3.668 13.030 ( -6.988 -2.729 -13.232) 15.211 13.788 ( 12.058 1.304 8.810) 14.991 18.010 ( -0.623 0.444 -1.823) 1.978 18.261 ( 0.400 -4.975 -9.672) 10.883 18.958 ( 3.782 3.443 1.580) 5.353 19.322 ( -17.344 10.161 7.717) 21.531 20.778 ( 6.294 -9.077 -12.446) 16.641 22.557 ( 7.882 12.929 8.274) 17.255 23.411 ( 3.353 -0.426 -1.198) 3.586 23.652 ( 1.590 -4.642 -3.125) 5.817 ======================= Grid point 278 (132/361) ======================= q-point: (-0.40 0.60 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( -12.648 0.000 -8.367) 15.165 2.524 ( 14.034 -0.000 11.028) 17.849 3.025 ( 15.058 -0.000 -4.531) 15.725 3.214 ( 10.099 -0.000 6.602) 12.065 3.389 ( -13.946 0.000 -4.043) 14.520 4.038 ( 18.649 -0.000 -13.730) 23.158 4.281 ( -1.595 0.000 35.617) 35.652 4.763 ( -5.596 0.000 7.177) 9.101 4.957 ( 3.994 -0.000 10.573) 11.302 5.085 ( -6.518 0.000 14.092) 15.527 5.661 ( 7.010 -0.000 16.982) 18.372 5.764 ( -3.558 0.000 1.424) 3.832 6.005 ( -3.575 0.000 2.713) 4.488 6.413 ( 11.769 -0.000 -6.651) 13.518 6.558 ( -6.759 0.000 -9.885) 11.975 7.393 ( -1.853 0.000 -0.527) 1.926 7.893 ( -15.348 0.000 6.993) 16.866 8.900 ( 1.341 -0.000 1.082) 1.723 8.927 ( 0.630 -0.000 1.984) 2.082 9.806 ( -1.817 0.000 9.351) 9.526 10.746 ( -8.762 0.000 -17.379) 19.463 11.200 ( -3.459 0.000 -4.633) 5.782 11.625 ( 8.968 -0.000 -5.660) 10.605 11.821 ( -3.978 0.000 12.810) 13.414 12.202 ( 0.886 -0.000 -1.812) 2.017 12.702 ( -16.201 0.000 -3.092) 16.493 13.128 ( 10.896 -0.000 15.906) 19.280 13.470 ( 1.124 -0.000 -21.444) 21.473 17.978 ( -0.755 0.000 -6.595) 6.638 18.222 ( 7.678 -0.000 10.552) 13.050 18.892 ( -6.742 0.000 -8.176) 10.598 19.708 ( -3.187 0.000 0.730) 3.270 21.046 ( -4.705 0.000 -6.695) 8.183 21.976 ( 21.818 -0.000 14.839) 26.386 23.465 ( -5.692 0.000 -2.218) 6.109 23.799 ( -0.847 0.000 -9.817) 9.853 ======================= Grid point 280 (133/361) ======================= q-point: (-0.30 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -16.569 -0.270 -6.397) 17.763 2.888 ( 15.516 -0.754 12.039) 19.653 2.991 ( -14.736 -1.865 -7.378) 16.585 3.328 ( 16.570 1.416 -1.970) 16.747 3.426 ( 9.700 0.195 4.960) 10.897 4.097 ( 14.125 -2.466 -18.854) 23.687 4.578 ( -0.240 6.395 14.051) 15.440 4.820 ( -3.499 -11.246 8.326) 14.423 5.052 ( -0.331 8.267 8.288) 11.711 5.246 ( -7.200 -5.523 24.075) 25.729 5.598 ( -13.642 -0.398 0.363) 13.653 5.982 ( -3.114 0.953 6.826) 7.563 6.067 ( 8.114 -1.416 14.961) 17.079 6.359 ( -3.325 0.260 -6.784) 7.559 6.525 ( 12.835 -2.519 -5.579) 14.220 7.303 ( -3.375 11.196 1.057) 11.741 7.832 ( -16.123 -13.922 8.961) 23.110 8.886 ( 0.651 5.962 1.559) 6.197 9.000 ( 1.813 -4.651 0.737) 5.046 9.886 ( 0.242 1.878 7.391) 7.630 10.412 ( -8.950 -0.606 -17.308) 19.495 11.029 ( -4.614 10.051 -5.835) 12.504 11.716 ( 9.165 -3.685 -3.895) 10.619 11.880 ( -5.891 3.591 10.607) 12.654 12.207 ( 0.826 -2.208 -1.936) 3.050 12.509 ( -8.658 -0.942 1.379) 8.818 13.210 ( -2.933 -1.631 -17.137) 17.462 13.487 ( 11.798 -0.546 13.153) 17.677 17.960 ( 2.340 -0.588 0.741) 2.524 18.314 ( -2.224 -0.904 -3.734) 4.440 18.840 ( 3.260 -1.859 2.713) 4.631 19.645 ( -9.009 2.179 3.457) 9.892 20.861 ( -0.773 2.358 -14.667) 14.876 22.426 ( 17.597 1.960 15.430) 23.486 23.373 ( -4.767 -1.767 -1.778) 5.386 23.682 ( 1.427 0.424 -9.725) 9.839 ======================= Grid point 281 (134/361) ======================= q-point: (-0.20 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( -18.698 -6.499 -0.440) 19.800 2.672 ( -23.627 -9.538 -6.798) 26.371 3.185 ( 11.056 1.536 6.347) 12.840 3.526 ( 7.307 5.371 4.660) 10.196 3.649 ( 21.112 2.363 1.346) 21.286 3.994 ( 4.643 -3.157 -23.484) 24.146 4.561 ( -4.103 6.698 2.535) 8.254 4.975 ( -5.970 -12.652 6.229) 15.314 5.027 ( 1.731 8.756 -0.860) 8.967 5.346 ( -16.191 -8.733 -1.757) 18.480 5.510 ( -7.902 9.527 26.680) 29.411 5.976 ( -6.765 0.424 0.401) 6.790 6.171 ( -5.256 -9.022 7.519) 12.867 6.540 ( 10.288 4.508 16.948) 20.333 6.681 ( 13.680 -2.824 -0.715) 13.987 7.173 ( -2.907 11.320 3.385) 12.168 7.886 ( -13.885 -19.834 9.172) 25.890 8.846 ( -0.731 7.117 0.737) 7.192 9.070 ( 3.481 -3.213 -0.407) 4.754 9.935 ( -0.481 5.355 2.659) 5.998 10.137 ( -5.630 -6.390 -13.069) 15.599 10.806 ( -2.596 11.798 -4.783) 12.993 11.815 ( 5.825 -3.479 -4.222) 7.992 11.859 ( -10.033 2.815 10.931) 15.102 12.224 ( 3.060 -0.778 0.575) 3.209 12.517 ( 1.353 -1.784 3.581) 4.223 12.974 ( -5.913 -2.956 -15.050) 16.438 13.811 ( 13.335 1.096 11.830) 17.860 18.031 ( 1.593 1.758 1.119) 2.623 18.176 ( -1.998 -4.277 -9.984) 11.043 18.988 ( 6.225 0.633 6.276) 8.862 19.484 ( -15.915 6.871 5.106) 18.072 20.679 ( 4.245 -2.559 -18.407) 19.063 22.759 ( 10.208 9.598 14.721) 20.323 23.349 ( -0.913 -5.654 0.803) 5.784 23.607 ( 3.070 -0.805 -8.303) 8.889 ======================= Grid point 282 (135/361) ======================= q-point: (-0.10 -0.40 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -18.272 -13.924 5.799) 23.693 2.384 ( -24.956 -17.287 -3.793) 30.594 3.307 ( 2.612 4.474 0.521) 5.207 3.539 ( -2.544 1.855 -2.114) 3.793 3.795 ( 3.181 -0.517 -13.558) 13.936 3.885 ( 9.474 5.654 0.152) 11.034 4.431 ( -10.279 3.597 1.136) 10.949 4.931 ( -4.572 1.240 0.285) 4.746 5.035 ( 2.737 -0.453 -3.654) 4.587 5.191 ( -8.774 -0.463 2.623) 9.170 5.618 ( -7.281 10.503 20.879) 24.480 5.853 ( -6.140 -1.651 -3.903) 7.460 6.333 ( -3.894 -10.624 11.240) 15.949 6.642 ( -5.041 5.291 5.059) 8.888 6.949 ( 7.991 7.817 13.314) 17.384 7.196 ( 7.890 -0.106 6.551) 10.256 8.006 ( -10.037 -21.716 7.903) 25.195 8.747 ( -2.997 10.041 -0.094) 10.479 9.153 ( 6.145 -2.721 -1.285) 6.842 9.789 ( -6.889 3.608 -5.130) 9.316 10.119 ( 3.140 -7.795 -4.081) 9.343 10.680 ( 1.803 5.929 -1.355) 6.343 11.807 ( -14.117 -0.161 13.042) 19.220 11.851 ( 2.066 -1.753 -4.769) 5.485 12.361 ( 10.769 -1.751 4.561) 11.826 12.599 ( 4.975 1.604 -0.160) 5.230 12.750 ( -8.938 -3.508 -8.576) 12.874 14.104 ( 15.224 3.958 7.229) 17.312 17.833 ( -5.628 0.732 -18.921) 19.754 18.274 ( 7.112 -2.755 6.199) 9.828 19.075 ( -0.527 8.032 2.312) 8.374 19.274 ( -9.784 4.638 6.361) 12.558 20.594 ( 5.143 -9.637 -17.022) 20.225 22.848 ( -1.504 16.191 9.811) 18.991 23.481 ( 7.737 -2.299 3.383) 8.751 23.598 ( 2.033 -6.184 -1.436) 6.666 ======================= Grid point 290 (136/361) ======================= q-point: (-0.30 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -21.006 0.000 -1.347) 21.049 2.582 ( -25.832 0.000 -7.708) 26.957 3.203 ( 13.557 -0.000 6.827) 15.179 3.605 ( 3.399 -0.000 5.602) 6.552 3.647 ( 24.928 -0.000 0.233) 24.929 3.969 ( 6.924 -0.000 -23.561) 24.558 4.698 ( -5.114 0.000 2.186) 5.562 4.761 ( -6.241 0.000 7.546) 9.792 5.121 ( 2.125 -0.000 -4.317) 4.811 5.254 ( -13.850 0.000 2.750) 14.120 5.618 ( -8.462 0.000 29.584) 30.770 5.992 ( -6.164 0.000 9.202) 11.075 6.066 ( -7.348 0.000 -3.604) 8.184 6.603 ( 14.687 -0.000 20.202) 24.976 6.627 ( 13.802 -0.000 -6.331) 15.184 7.348 ( -0.017 0.000 0.082) 0.084 7.637 ( -20.914 0.000 13.808) 25.061 8.923 ( -0.620 0.000 0.123) 0.633 9.027 ( 4.184 -0.000 0.284) 4.193 9.993 ( 2.535 -0.000 5.723) 6.259 10.074 ( -9.247 0.000 -16.585) 18.989 10.924 ( -4.370 0.000 -8.097) 9.201 11.775 ( 6.944 -0.000 -3.304) 7.690 11.886 ( -12.489 0.000 11.447) 16.941 12.220 ( 3.020 -0.000 0.282) 3.033 12.493 ( 0.852 -0.000 5.243) 5.312 12.945 ( -4.603 0.000 -16.064) 16.711 13.821 ( 13.380 -0.000 12.889) 18.578 18.056 ( 5.121 -0.000 6.215) 8.053 18.129 ( -5.643 0.000 -14.224) 15.303 18.992 ( 7.079 -0.000 8.030) 10.704 19.545 ( -14.291 0.000 4.418) 14.958 20.662 ( 2.760 -0.000 -21.076) 21.255 22.858 ( 12.985 -0.000 19.303) 23.264 23.281 ( -4.889 0.000 -0.465) 4.911 23.603 ( 4.049 -0.000 -10.124) 10.904 ======================= Grid point 291 (137/361) ======================= q-point: (-0.20 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( -23.011 -5.097 8.617) 25.095 2.146 ( -28.766 -7.935 -6.199) 30.477 3.402 ( 3.971 5.695 -0.565) 6.966 3.511 ( -7.261 -4.402 -9.599) 12.816 3.850 ( 7.258 5.586 -6.345) 11.142 3.947 ( 13.618 -0.015 -0.550) 13.629 4.500 ( -16.575 4.284 1.678) 17.202 4.810 ( -9.130 -8.921 7.014) 14.565 5.085 ( 7.613 3.233 -7.338) 11.057 5.173 ( -2.509 -1.169 2.400) 3.664 5.757 ( -4.142 1.819 8.430) 9.567 5.918 ( -8.671 10.878 10.482) 17.418 6.133 ( -6.743 -12.018 14.455) 19.971 6.731 ( 11.084 3.325 -4.630) 12.464 7.040 ( 11.377 1.629 20.133) 23.182 7.282 ( -2.530 10.794 4.550) 11.984 7.623 ( -16.197 -19.533 10.867) 27.604 8.890 ( -1.429 4.936 0.352) 5.151 9.102 ( 6.208 -2.245 -1.561) 6.783 9.784 ( -6.320 -1.590 -13.691) 15.163 10.091 ( 3.859 1.173 3.102) 5.089 10.761 ( -3.064 2.637 -6.416) 7.583 11.799 ( 2.216 -0.702 -3.813) 4.466 11.859 ( -12.307 1.973 14.319) 18.984 12.305 ( 3.959 -3.366 4.700) 7.007 12.607 ( 5.036 -0.102 4.623) 6.837 12.707 ( -5.245 -1.105 -13.319) 14.357 14.151 ( 15.426 1.330 9.424) 18.126 17.843 ( -5.360 0.341 -20.333) 21.030 18.238 ( 6.812 -1.117 8.839) 11.215 19.169 ( 5.431 2.579 6.763) 9.049 19.348 ( -16.860 2.803 2.613) 17.290 20.478 ( 5.489 -3.348 -20.826) 21.796 23.115 ( -0.773 14.021 10.677) 17.641 23.346 ( 3.713 -11.201 13.625) 18.024 23.556 ( 6.207 -0.242 -9.719) 11.534 ======================= Grid point 292 (138/361) ======================= q-point: (-0.10 -0.30 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -22.824 -9.733 14.753) 28.868 1.832 ( -27.532 -19.663 0.813) 33.843 2.973 ( -27.723 -4.956 -19.805) 34.429 3.605 ( 7.534 2.832 3.917) 8.952 3.797 ( -3.557 6.671 1.825) 7.778 3.966 ( -3.911 5.105 -1.764) 6.669 4.344 ( -9.112 2.672 7.293) 11.973 4.861 ( -1.440 -5.663 4.788) 7.554 5.104 ( 10.297 3.697 -6.306) 12.628 5.215 ( 1.852 1.700 4.312) 4.991 5.729 ( -4.059 -0.992 -1.659) 4.496 5.856 ( -7.704 14.863 14.942) 22.439 6.308 ( -4.089 -11.068 9.718) 15.286 6.684 ( -5.962 13.975 2.796) 15.449 7.190 ( 3.068 7.043 3.470) 8.429 7.409 ( 5.659 -0.463 8.726) 10.411 7.767 ( -7.668 -24.937 9.213) 27.668 8.802 ( -3.453 9.569 2.071) 10.381 9.199 ( 8.586 -2.939 -3.911) 9.882 9.632 ( -1.648 -5.503 -6.689) 8.817 10.132 ( 2.944 4.420 -0.838) 5.376 10.679 ( -0.969 -2.481 -1.860) 3.248 11.783 ( 2.038 -2.304 -6.109) 6.840 11.816 ( -15.969 8.123 18.268) 25.588 12.482 ( -8.456 -1.545 -6.632) 10.857 12.536 ( 11.862 -9.307 3.652) 15.513 12.729 ( 4.557 0.684 4.013) 6.110 14.428 ( 16.472 4.456 3.357) 17.391 17.502 ( -5.951 0.074 -22.084) 22.872 18.462 ( 7.510 -1.414 9.805) 12.432 19.048 ( -12.334 6.291 -1.601) 13.937 19.337 ( 3.819 0.316 5.215) 6.471 20.377 ( 4.142 -7.150 -16.314) 18.288 23.010 ( -8.131 15.244 6.131) 18.332 23.544 ( 5.686 -1.737 -7.298) 9.413 23.720 ( 7.173 -4.314 20.637) 22.270 ======================= Grid point 301 (139/361) ======================= q-point: (-0.20 -0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( -25.820 0.000 22.265) 34.094 1.630 ( -30.909 0.000 -3.074) 31.061 2.932 ( -30.201 0.000 -21.970) 37.347 3.630 ( 9.130 -0.000 3.757) 9.873 3.872 ( -5.700 0.000 0.745) 5.748 4.006 ( -3.146 0.000 -1.075) 3.324 4.371 ( -8.998 0.000 10.868) 14.110 4.797 ( -0.206 0.000 4.441) 4.446 5.139 ( 10.504 -0.000 -6.556) 12.381 5.229 ( 2.828 -0.000 4.324) 5.166 5.716 ( -2.965 0.000 -0.152) 2.969 6.091 ( -3.811 0.000 10.579) 11.245 6.106 ( -9.167 0.000 15.073) 17.642 6.873 ( 13.968 -0.000 -5.385) 14.970 7.295 ( -9.176 0.000 4.990) 10.445 7.392 ( 4.576 -0.000 -1.793) 4.915 7.449 ( -11.752 0.000 26.970) 29.419 8.896 ( -2.896 0.000 1.549) 3.284 9.166 ( 8.984 -0.000 -3.719) 9.723 9.571 ( -0.800 0.000 -11.010) 11.039 10.192 ( 4.194 -0.000 2.532) 4.899 10.650 ( -3.972 0.000 -4.477) 5.985 11.762 ( 2.402 -0.000 -6.591) 7.015 11.942 ( -10.563 0.000 23.038) 25.344 12.366 ( -3.005 0.000 8.018) 8.563 12.498 ( -0.729 0.000 -13.375) 13.395 12.737 ( 5.633 -0.000 3.779) 6.783 14.467 ( 16.435 -0.000 4.856) 17.138 17.503 ( -5.794 0.000 -22.847) 23.570 18.449 ( 6.995 -0.000 10.518) 12.632 19.114 ( -15.833 0.000 -3.829) 16.290 19.335 ( 4.235 -0.000 6.084) 7.413 20.311 ( 5.488 -0.000 -16.811) 17.684 23.168 ( -5.569 0.000 2.643) 6.164 23.514 ( 3.586 -0.000 -2.415) 4.323 23.677 ( 8.974 -0.000 21.573) 23.366 ======================= Grid point 302 (140/361) ======================= q-point: (-0.10 -0.20 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -27.665 0.434 15.380) 31.656 1.360 ( -27.071 -18.231 17.039) 36.818 2.208 ( -43.237 -6.302 -12.367) 45.411 3.720 ( -1.553 4.347 -1.036) 4.731 3.790 ( -5.071 -1.216 1.633) 5.464 3.910 ( -7.311 3.475 6.226) 10.212 4.497 ( 2.690 7.795 18.345) 20.113 4.856 ( 2.103 -6.351 -0.045) 6.690 5.212 ( 9.865 2.616 -4.030) 10.973 5.318 ( 2.487 0.892 4.956) 5.617 5.678 ( -3.238 0.929 -0.894) 3.485 6.017 ( -5.828 14.141 7.504) 17.037 6.253 ( -2.138 -11.751 5.467) 13.136 6.824 ( -5.880 26.480 4.958) 27.575 7.226 ( -5.426 -5.536 1.366) 7.871 7.459 ( 5.423 -2.950 -4.193) 7.463 7.647 ( -1.481 -16.234 7.309) 17.865 8.852 ( -4.633 4.008 4.589) 7.655 9.244 ( 9.434 -1.207 -6.483) 11.511 9.527 ( 3.432 -5.912 -3.690) 7.768 10.227 ( 1.901 9.044 0.407) 9.251 10.578 ( -5.207 -6.945 -1.073) 8.746 11.722 ( 2.153 -0.432 -5.891) 6.287 11.978 ( -11.450 20.374 18.037) 29.522 12.295 ( -6.080 0.373 -6.342) 8.793 12.589 ( 7.367 -22.442 4.425) 24.031 12.837 ( 4.324 0.980 1.596) 4.712 14.694 ( 15.108 3.268 -2.125) 15.603 17.219 ( -4.434 -0.290 -6.569) 7.931 18.665 ( 4.810 -0.749 10.293) 11.386 18.859 ( -8.295 -0.884 -7.863) 11.464 19.441 ( 2.551 -0.511 3.838) 4.637 20.222 ( 3.901 -2.186 -11.726) 12.549 23.073 ( -8.234 11.498 4.633) 14.882 23.531 ( 5.815 -1.278 -5.681) 8.229 24.085 ( 8.148 0.508 23.508) 24.886 ======================= Grid point 312 (141/361) ======================= q-point: (-0.10 -0.10 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -24.330 0.000 17.031) 29.699 1.029 ( -38.022 0.000 -2.953) 38.136 1.702 ( -35.618 0.000 41.731) 54.864 3.635 ( -7.906 0.000 -3.608) 8.691 3.691 ( -6.317 0.000 1.949) 6.611 3.995 ( -1.607 0.000 9.960) 10.088 4.793 ( 2.875 -0.000 -6.858) 7.437 4.928 ( 11.818 -0.000 21.969) 24.946 5.307 ( 7.365 -0.000 -3.509) 8.159 5.398 ( -1.761 0.000 4.435) 4.771 5.549 ( -5.693 0.000 -9.489) 11.066 6.166 ( 1.124 -0.000 9.659) 9.724 6.191 ( -0.034 0.000 -0.037) 0.050 6.969 ( -16.276 0.000 4.952) 17.013 7.151 ( 6.204 -0.000 5.752) 8.460 7.417 ( -12.454 0.000 -18.133) 21.998 7.482 ( 8.261 -0.000 -8.437) 11.808 8.859 ( -4.521 0.000 6.405) 7.840 9.312 ( 9.071 -0.000 -0.682) 9.096 9.522 ( 3.933 -0.000 -3.243) 5.098 10.330 ( 2.091 -0.000 1.232) 2.427 10.355 ( -17.611 0.000 -3.473) 17.950 11.697 ( 2.955 -0.000 -4.482) 5.369 12.114 ( -11.123 0.000 -2.810) 11.473 12.140 ( -3.970 0.000 -8.738) 9.597 12.513 ( 1.008 -0.000 4.572) 4.682 12.893 ( 2.690 -0.000 -0.804) 2.807 14.829 ( 11.092 -0.000 -8.909) 14.227 17.492 ( 24.071 -0.000 38.859) 45.711 18.611 ( -5.033 0.000 -9.734) 10.958 18.868 ( 3.176 -0.000 9.036) 9.578 19.480 ( -0.269 0.000 0.742) 0.789 20.158 ( 4.697 -0.000 -8.109) 9.371 23.091 ( -6.242 0.000 5.046) 8.027 23.547 ( 5.678 -0.000 -4.249) 7.092 24.370 ( 2.429 -0.000 -1.275) 2.743 ======================= Grid point 313 (142/361) ======================= q-point: ( 0.00 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 15.292 -0.000 20.283) 25.401 1.843 ( -0.306 0.000 31.109) 31.111 3.257 ( -3.939 0.000 36.630) 36.841 3.288 ( -1.280 0.000 -7.083) 7.198 3.992 ( 3.250 -0.000 5.806) 6.654 4.051 ( -2.302 0.000 -9.105) 9.391 4.632 ( -0.699 0.000 -4.710) 4.761 4.928 ( 7.994 -0.000 -9.708) 12.576 5.172 ( -13.761 0.000 8.180) 16.009 5.196 ( 2.090 -0.000 2.056) 2.932 5.533 ( -30.328 0.000 3.818) 30.567 6.237 ( -0.944 0.000 4.948) 5.037 6.436 ( 11.925 -0.000 3.200) 12.347 6.652 ( -10.129 0.000 11.622) 15.416 6.921 ( -0.132 0.000 -15.105) 15.105 7.253 ( -10.792 0.000 26.896) 28.980 7.837 ( 1.653 -0.000 12.281) 12.391 9.062 ( -2.084 0.000 1.367) 2.493 9.189 ( 0.083 -0.000 -7.532) 7.532 9.561 ( -6.473 0.000 3.321) 7.275 10.116 ( 10.264 -0.000 5.484) 11.637 10.271 ( -3.646 0.000 -4.619) 5.885 11.490 ( 1.221 -0.000 -11.985) 12.047 11.704 ( 1.949 -0.000 -5.702) 6.026 12.048 ( -4.516 0.000 12.042) 12.861 12.797 ( 8.368 -0.000 0.842) 8.410 12.838 ( -1.979 0.000 -1.656) 2.580 14.232 ( 0.962 -0.000 -19.877) 19.900 18.184 ( 8.240 -0.000 -10.648) 13.464 18.992 ( -6.295 0.000 -12.054) 13.599 19.024 ( -16.514 0.000 5.610) 17.441 19.519 ( 17.713 -0.000 -0.061) 17.713 20.397 ( 20.340 -0.000 6.283) 21.289 22.663 ( -36.489 0.000 -11.631) 38.298 23.167 ( -5.011 0.000 4.077) 6.460 23.577 ( 7.219 -0.000 -3.785) 8.151 ======================= Grid point 314 (143/361) ======================= q-point: ( 0.10 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 14.208 1.487 15.581) 21.139 2.239 ( 6.055 -0.687 28.266) 28.916 3.206 ( 4.310 2.617 -8.029) 9.481 3.625 ( -0.430 -4.050 21.494) 21.877 3.857 ( -3.020 4.590 -12.139) 13.325 4.084 ( 0.550 -0.105 5.769) 5.796 4.479 ( -4.495 6.695 -10.136) 12.953 4.689 ( -9.010 -4.037 -17.770) 20.329 5.178 ( -9.733 -1.582 6.715) 11.930 5.307 ( 1.349 -1.075 9.847) 9.997 5.471 ( -4.504 -0.573 26.816) 27.198 6.254 ( -5.352 0.340 4.849) 7.230 6.531 ( 1.280 0.238 0.185) 1.315 6.639 ( -6.455 3.950 7.775) 10.851 6.744 ( -0.699 1.499 -10.729) 10.856 7.404 ( -7.417 15.239 26.667) 31.597 8.032 ( -4.879 -16.058 11.793) 20.512 9.008 ( -1.511 4.671 -1.064) 5.023 9.168 ( 3.408 -3.362 -4.665) 6.684 9.542 ( -3.908 -1.886 6.150) 7.527 10.062 ( -0.131 10.750 -3.948) 11.452 10.475 ( 10.101 -16.828 3.173) 19.882 11.358 ( 2.604 0.082 -13.838) 14.081 11.681 ( 5.894 3.022 -4.909) 8.245 12.148 ( -4.066 -5.192 10.104) 12.065 12.772 ( -4.321 1.616 -0.514) 4.642 12.925 ( 9.215 -1.609 -2.109) 9.589 13.994 ( -2.369 3.122 -15.152) 15.651 18.183 ( 9.276 1.661 -9.394) 13.306 18.642 ( -10.312 12.032 -7.398) 17.488 18.935 ( -14.612 -13.070 -0.734) 19.618 19.633 ( -0.525 -0.385 -0.761) 1.002 20.782 ( 19.602 2.411 11.688) 22.949 22.106 ( -17.284 6.820 -10.755) 21.469 23.189 ( -3.155 -7.283 1.103) 8.013 23.636 ( 7.334 -0.131 -3.602) 8.172 ======================= Grid point 315 (144/361) ======================= q-point: ( 0.20 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 6.744 7.255 15.757) 18.612 2.675 ( 14.030 -3.255 17.391) 22.581 3.169 ( 7.158 4.603 -5.898) 10.354 3.576 ( -4.463 9.243 -9.685) 14.112 3.783 ( -5.825 -2.938 1.267) 6.646 4.091 ( 0.026 3.960 -8.512) 9.388 4.291 ( -0.991 -0.873 0.503) 1.413 4.498 ( -5.279 -6.900 -6.862) 11.071 5.160 ( -13.265 -7.067 10.976) 18.611 5.416 ( -4.351 0.113 9.885) 10.801 5.795 ( 5.131 -2.217 17.310) 18.190 6.190 ( -8.495 -1.022 -0.044) 8.557 6.498 ( 0.835 1.921 -4.626) 5.078 6.596 ( 1.201 7.167 0.667) 7.297 6.694 ( -7.962 -0.608 14.888) 16.894 7.377 ( -6.469 23.761 14.988) 28.828 8.241 ( -11.065 -20.536 13.414) 26.909 8.940 ( 0.275 7.441 0.335) 7.454 9.168 ( -0.238 -0.663 -2.762) 2.851 9.648 ( 4.413 0.567 6.250) 7.672 9.977 ( -1.090 -6.019 -1.708) 6.351 10.742 ( 7.907 -2.141 1.368) 8.305 11.283 ( 8.266 -3.943 -9.253) 13.019 11.698 ( 9.317 2.996 -5.760) 11.356 12.256 ( -3.609 -8.830 6.304) 11.434 12.674 ( -7.505 3.432 1.327) 8.359 13.015 ( 7.366 -2.822 -6.223) 10.047 13.780 ( -2.153 4.858 -8.098) 9.686 18.153 ( 3.467 5.534 -6.179) 8.990 18.384 ( -2.933 2.124 -9.601) 10.261 18.839 ( -11.586 -8.947 -0.257) 14.641 19.542 ( -13.308 -1.764 2.395) 13.636 21.086 ( 10.487 12.840 9.921) 19.320 21.860 ( 3.374 -5.993 -10.346) 12.424 23.228 ( 0.100 -5.652 -0.257) 5.659 23.689 ( 6.532 1.127 -3.049) 7.297 ======================= Grid point 316 (145/361) ======================= q-point: ( 0.30 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -4.288 12.911 9.651) 16.680 3.060 ( 14.734 -5.068 2.055) 15.716 3.189 ( 3.502 4.479 5.213) 7.714 3.357 ( 0.462 9.019 -5.674) 10.665 3.654 ( -8.654 0.085 -4.437) 9.725 3.916 ( 3.580 5.522 -12.353) 13.997 4.403 ( 5.614 -8.969 -0.075) 10.581 4.463 ( -3.792 -5.592 0.214) 6.760 5.164 ( -16.986 -11.985 9.499) 22.856 5.404 ( -10.817 0.838 7.197) 13.019 5.897 ( -4.745 0.759 -3.743) 6.091 6.070 ( -6.544 -2.599 -3.632) 7.923 6.529 ( 4.061 -1.048 3.070) 5.198 6.594 ( 3.432 7.471 6.551) 10.513 6.845 ( -6.802 0.141 25.967) 26.844 7.221 ( -3.282 20.460 5.743) 21.503 8.380 ( -13.500 -16.123 10.878) 23.675 8.884 ( -0.480 9.926 2.648) 10.285 9.134 ( -0.326 1.729 -0.053) 1.761 9.685 ( -2.230 -3.199 -3.142) 5.008 10.157 ( 7.195 -10.716 8.145) 15.263 10.711 ( 3.477 16.017 -4.992) 17.133 11.500 ( 15.489 -10.997 3.037) 19.237 11.737 ( 10.371 2.098 -7.289) 12.849 12.350 ( -2.255 -9.437 2.607) 10.047 12.539 ( -9.908 5.663 3.275) 11.873 13.005 ( -0.137 -2.975 -8.844) 9.332 13.696 ( 4.578 2.026 -2.766) 5.720 18.039 ( -4.348 2.350 -7.525) 9.002 18.261 ( 1.958 0.345 -7.316) 7.581 18.799 ( -3.706 -6.034 0.864) 7.133 19.404 ( -16.453 -5.185 5.212) 18.021 21.036 ( 3.711 19.748 -5.915) 20.946 22.057 ( 12.097 -16.078 2.761) 20.309 23.286 ( 3.474 -3.180 -0.742) 4.768 23.723 ( 5.154 3.156 -1.661) 6.267 ======================= Grid point 317 (146/361) ======================= q-point: (-0.60 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -12.405 14.763 7.104) 20.550 3.004 ( -11.840 4.833 -3.749) 13.327 3.267 ( 2.150 7.672 0.399) 7.977 3.410 ( 10.406 -5.450 -1.086) 11.797 3.567 ( -1.732 -2.725 1.293) 3.478 3.829 ( 8.435 5.587 -7.609) 12.660 4.452 ( -6.718 -2.443 2.753) 7.661 4.563 ( 9.742 -8.918 -4.131) 13.839 5.101 ( -16.816 -11.270 1.533) 20.301 5.321 ( -12.485 -3.470 6.066) 14.307 5.733 ( -9.507 0.955 0.506) 9.568 5.945 ( -7.025 -1.362 -4.532) 8.470 6.546 ( -0.010 3.394 -0.050) 3.394 6.752 ( 6.195 -2.079 6.316) 9.088 7.021 ( -8.698 10.174 18.818) 23.093 7.165 ( 4.243 3.975 10.470) 11.976 8.419 ( -12.904 -10.540 7.349) 18.210 8.801 ( -3.784 11.416 4.448) 12.823 9.140 ( 1.936 1.451 1.094) 2.656 9.629 ( -6.082 -9.731 -4.719) 12.407 10.421 ( 8.785 5.018 3.352) 10.658 10.556 ( 3.697 12.322 0.831) 12.891 11.759 ( 9.091 1.587 -8.725) 12.700 11.882 ( 13.828 -7.958 9.145) 18.390 12.388 ( -8.343 5.029 3.850) 10.474 12.431 ( 0.068 -6.365 0.218) 6.369 12.877 ( -6.537 -1.149 -5.743) 8.776 13.793 ( 11.402 -4.910 -3.166) 12.812 17.785 ( -8.721 -0.618 -16.628) 18.786 18.301 ( 5.343 1.802 6.021) 8.249 18.850 ( 1.098 -7.155 -0.102) 7.239 19.315 ( -12.987 -6.569 5.534) 15.570 20.793 ( 4.081 18.269 -14.141) 23.460 22.417 ( 6.157 -17.914 8.393) 20.718 23.360 ( 6.736 -0.404 -1.467) 6.905 23.748 ( 4.229 4.584 1.738) 6.475 ======================= Grid point 318 (147/361) ======================= q-point: (-0.50 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( -17.587 13.676 10.214) 24.508 2.658 ( -20.080 12.096 -1.755) 23.507 3.315 ( 1.224 4.948 2.726) 5.780 3.458 ( -2.117 -2.194 -0.845) 3.163 3.566 ( 3.739 -4.965 -5.706) 8.437 3.871 ( 1.298 -0.817 1.884) 2.429 4.391 ( -9.072 -3.455 2.796) 10.102 4.731 ( 11.706 -7.430 -4.894) 14.703 4.985 ( -6.941 -4.246 -1.674) 8.308 5.276 ( -8.474 -3.301 6.061) 10.929 5.690 ( -9.092 -9.789 6.077) 14.677 5.808 ( -7.548 -1.099 -2.820) 8.132 6.493 ( -3.096 2.539 -0.604) 4.049 6.876 ( -1.543 4.311 8.095) 9.300 7.013 ( 2.054 3.223 4.681) 6.044 7.343 ( -0.417 -3.773 8.171) 9.010 8.378 ( -11.320 0.660 5.207) 12.478 8.727 ( -4.758 3.698 7.286) 9.455 9.173 ( 2.987 1.982 0.950) 3.709 9.602 ( -4.303 -10.828 -2.240) 11.865 10.293 ( 4.961 23.687 -4.689) 24.652 10.703 ( 4.591 -0.644 7.913) 9.171 11.736 ( 6.406 2.724 -9.915) 12.115 12.102 ( -11.243 -0.052 13.605) 17.650 12.328 ( 6.112 -0.112 -7.920) 10.005 12.543 ( 6.190 -3.697 5.681) 9.179 12.774 ( -3.168 -0.918 1.397) 3.582 13.989 ( 14.480 -10.237 -6.078) 18.746 17.469 ( -8.407 0.029 -15.228) 17.394 18.479 ( 6.799 1.202 10.373) 12.461 18.919 ( -0.724 -8.172 -1.881) 8.417 19.298 ( -3.920 -4.253 3.783) 6.911 20.513 ( 3.496 15.515 -15.853) 22.455 22.692 ( -4.109 -18.585 7.367) 20.410 23.432 ( 8.913 2.660 -3.960) 10.109 23.839 ( 5.673 2.575 9.207) 11.117 ======================= Grid point 319 (148/361) ======================= q-point: (-0.40 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.830 ( -21.298 11.757 13.451) 27.799 2.230 ( -24.179 13.085 -0.552) 27.498 3.030 ( -20.766 20.252 6.148) 29.651 3.594 ( 0.284 -5.354 -0.394) 5.376 3.674 ( 8.310 -12.681 3.649) 15.594 3.862 ( -5.882 -3.122 0.235) 6.663 4.363 ( -8.033 -8.045 5.356) 12.567 4.884 ( 9.986 -6.570 -6.904) 13.804 4.984 ( 5.447 1.042 1.151) 5.664 5.307 ( -3.306 -3.229 8.161) 9.379 5.696 ( -6.333 -1.406 -1.651) 6.694 5.750 ( -8.410 -15.735 4.083) 18.303 6.411 ( -5.085 0.630 -0.635) 5.163 6.856 ( -10.553 5.880 12.423) 17.329 7.111 ( 5.963 -3.398 -0.579) 6.888 7.373 ( -2.654 -5.507 -5.649) 8.324 8.217 ( -8.168 13.545 2.505) 16.014 8.795 ( -2.766 -5.842 8.189) 10.433 9.216 ( 2.955 2.903 4.076) 5.812 9.644 ( 0.760 -5.413 0.122) 5.468 10.108 ( 1.568 15.081 -4.044) 15.692 10.809 ( 1.241 4.963 6.034) 7.911 11.661 ( 4.200 2.879 -10.206) 11.405 12.037 ( -17.005 -0.597 12.308) 21.000 12.262 ( -1.445 -2.253 -8.271) 8.693 12.711 ( 4.586 -3.539 1.128) 5.901 12.871 ( 10.322 5.175 4.828) 12.515 14.211 ( 15.327 -12.762 -8.941) 21.857 17.246 ( -4.414 -0.211 -4.271) 6.146 18.683 ( 5.200 -0.196 9.534) 10.862 18.892 ( -2.250 -1.316 -6.418) 6.927 19.380 ( 5.610 -2.218 2.525) 6.540 20.260 ( 1.537 10.631 -12.383) 16.392 22.814 ( -11.999 -19.418 5.139) 23.398 23.458 ( 8.330 4.717 -5.700) 11.141 24.071 ( 7.052 -1.795 12.969) 14.871 ======================= Grid point 320 (149/361) ======================= q-point: (-0.30 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.595 ( -21.950 11.937 15.374) 29.337 1.712 ( -31.219 12.318 -2.452) 33.651 2.746 ( -21.938 20.130 30.036) 42.293 3.596 ( -5.174 -6.210 -1.843) 8.290 3.782 ( -5.053 -2.134 -2.556) 6.051 3.926 ( 2.735 -8.771 6.581) 11.301 4.464 ( -0.484 -13.210 3.496) 13.673 4.956 ( 6.053 -5.036 -4.838) 9.241 5.114 ( 9.839 1.594 1.968) 10.160 5.424 ( 0.623 -3.801 8.612) 9.434 5.571 ( -6.852 0.252 -6.182) 9.232 5.846 ( -5.017 -15.717 4.490) 17.098 6.355 ( -4.458 -2.357 2.866) 5.800 6.777 ( -18.019 -2.879 8.823) 20.269 7.190 ( -1.668 -5.665 -0.686) 5.946 7.293 ( 2.916 -3.022 -9.779) 10.643 7.997 ( -2.782 22.327 -0.246) 22.501 8.874 ( -3.222 -6.567 2.580) 7.756 9.325 ( 4.294 3.386 9.905) 11.314 9.657 ( 4.572 10.373 -3.005) 11.728 10.016 ( -4.848 -7.111 -1.039) 8.669 10.787 ( -2.735 10.776 3.472) 11.647 11.583 ( 3.617 0.420 -8.443) 9.195 11.951 ( -14.521 -3.718 6.177) 16.212 12.189 ( -3.661 -2.593 -1.262) 4.660 12.776 ( 2.844 -3.120 -4.812) 6.401 12.931 ( 7.909 13.531 -2.820) 15.925 14.404 ( 13.780 -11.873 -12.042) 21.814 17.347 ( 7.827 -6.302 15.967) 18.866 18.723 ( 0.680 5.184 -10.733) 11.939 18.868 ( 4.066 0.327 6.258) 7.470 19.516 ( 7.713 1.846 2.856) 8.429 20.082 ( 0.173 4.676 -8.250) 9.485 22.862 ( -15.828 -22.735 5.204) 28.187 23.462 ( 7.975 4.316 -5.387) 10.547 24.287 ( 2.447 -2.712 4.673) 5.932 ======================= Grid point 321 (150/361) ======================= q-point: (-0.20 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -24.060 13.157 10.336) 29.306 1.464 ( -16.099 9.816 22.141) 29.082 2.768 ( -20.945 11.810 43.814) 49.978 3.523 ( -7.590 -4.517 -3.012) 9.332 3.730 ( 0.445 0.179 0.448) 0.656 4.075 ( 0.130 -7.426 3.031) 8.021 4.576 ( 1.100 -9.867 -3.124) 10.408 5.021 ( -0.250 -8.020 -5.765) 9.881 5.241 ( 6.181 2.209 1.262) 6.684 5.350 ( -4.543 4.121 -7.303) 9.537 5.645 ( 8.878 -1.224 13.389) 16.112 5.974 ( -4.354 -16.543 2.857) 17.343 6.428 ( 0.287 -1.948 9.832) 10.027 6.595 ( -24.476 -14.368 -3.149) 28.555 7.119 ( -9.159 -4.768 -1.540) 10.440 7.306 ( 3.450 -1.031 -5.427) 6.513 7.761 ( 0.892 28.820 4.294) 29.152 8.924 ( -2.637 -7.352 3.917) 8.737 9.458 ( 3.396 4.049 3.819) 6.520 9.549 ( 5.502 14.633 -2.470) 15.827 10.005 ( -13.284 -17.676 -1.272) 22.148 10.635 ( -4.262 17.094 1.059) 17.649 11.567 ( 4.922 -2.357 -6.006) 8.115 11.855 ( -10.578 -4.515 1.322) 11.577 12.132 ( -5.115 2.184 -1.044) 5.659 12.698 ( 2.163 6.314 -6.538) 9.343 12.891 ( 2.991 5.219 -0.726) 6.059 14.486 ( 9.983 -8.099 -17.199) 21.472 17.909 ( 18.804 -18.628 17.780) 31.886 18.598 ( 15.462 14.889 -6.438) 22.410 18.983 ( -2.201 -7.536 4.627) 9.113 19.578 ( 2.352 10.949 2.752) 11.532 20.001 ( 5.111 -0.693 -6.745) 8.491 22.918 ( -17.211 -27.471 5.495) 32.879 23.478 ( 7.730 2.775 -4.830) 9.528 24.186 ( -12.613 5.491 -11.621) 18.008 ======================= Grid point 322 (151/361) ======================= q-point: (-0.10 0.00 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 6.141 5.145 25.896) 27.107 1.543 ( -7.626 3.226 28.513) 29.690 2.945 ( -16.553 5.576 42.826) 46.251 3.406 ( -6.041 -1.805 -4.915) 7.994 3.835 ( 7.824 -0.615 5.274) 9.455 4.126 ( -1.285 -4.557 -2.542) 5.373 4.628 ( 1.831 -5.673 -2.412) 6.430 4.934 ( -4.029 0.009 -3.255) 5.179 5.203 ( 1.653 1.194 -5.927) 6.268 5.283 ( -4.398 1.715 1.191) 4.868 5.897 ( -12.162 -2.797 5.712) 13.724 6.108 ( 4.947 -14.008 4.477) 15.516 6.293 ( -6.407 0.333 -6.351) 9.027 6.604 ( -6.292 -5.543 13.696) 16.059 7.040 ( -5.519 -6.892 -3.047) 9.340 7.212 ( -7.812 5.467 3.238) 10.070 7.709 ( 3.612 15.580 13.349) 20.832 9.018 ( -1.310 -5.886 4.759) 7.682 9.336 ( -2.105 4.677 -9.295) 10.616 9.589 ( 3.696 8.418 4.368) 10.178 9.961 ( -10.222 -17.124 1.410) 19.993 10.438 ( -1.422 17.984 -0.704) 18.054 11.577 ( 3.785 -0.761 -7.356) 8.308 11.768 ( -4.622 -4.607 -5.235) 8.366 12.024 ( -5.659 6.107 6.504) 10.565 12.688 ( 5.249 1.449 1.108) 5.557 12.876 ( 0.560 1.490 -1.629) 2.278 14.417 ( 5.434 -3.825 -20.609) 21.654 18.201 ( 5.590 -6.070 -10.170) 13.097 18.948 ( 31.636 4.152 6.372) 32.537 19.045 ( -8.488 -15.418 3.588) 17.962 19.439 ( -2.913 15.583 -1.631) 15.937 20.107 ( 15.115 -1.098 -0.687) 15.170 22.980 ( -20.372 -32.730 1.304) 38.574 23.487 ( -0.555 7.282 -6.957) 10.087 23.614 ( -18.799 17.843 -10.384) 27.921 ======================= Grid point 324 (152/361) ======================= q-point: ( 0.10 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.459 ( 15.685 -0.000 10.788) 19.037 2.633 ( 5.425 -0.000 24.501) 25.094 3.213 ( 7.650 -0.000 -6.478) 10.025 3.674 ( -4.150 0.000 -12.253) 12.937 3.733 ( -5.100 0.000 4.066) 6.522 4.124 ( 3.045 -0.000 -4.667) 5.573 4.340 ( -4.769 0.000 -8.882) 10.082 4.384 ( -6.672 0.000 -4.394) 7.989 5.096 ( -15.322 0.000 12.000) 19.462 5.415 ( -2.844 0.000 9.156) 9.588 5.775 ( 4.627 -0.000 17.270) 17.879 6.179 ( -9.253 0.000 -0.402) 9.262 6.507 ( 1.245 -0.000 -4.745) 4.905 6.664 ( 4.586 -0.000 -7.498) 8.789 6.693 ( -11.437 0.000 21.291) 24.168 7.749 ( -7.718 0.000 29.415) 30.411 7.900 ( -11.834 0.000 2.683) 12.135 9.009 ( 1.130 -0.000 -1.261) 1.693 9.158 ( 2.031 -0.000 -2.252) 3.032 9.658 ( 5.781 -0.000 12.547) 13.815 9.924 ( -8.772 0.000 -9.099) 12.639 10.714 ( 18.786 -0.000 7.706) 20.305 11.257 ( 7.150 -0.000 -13.876) 15.610 11.735 ( 8.923 -0.000 -5.837) 10.663 12.161 ( -5.797 0.000 7.779) 9.702 12.706 ( -7.171 0.000 1.645) 7.357 12.990 ( 7.909 -0.000 -7.050) 10.595 13.824 ( -3.042 0.000 -8.540) 9.066 18.211 ( 7.619 -0.000 -7.139) 10.440 18.414 ( -8.487 0.000 -16.101) 18.201 18.734 ( -11.716 0.000 7.229) 13.767 19.527 ( -13.775 0.000 1.671) 13.876 21.221 ( 17.789 -0.000 14.976) 23.254 21.796 ( -5.646 0.000 -17.409) 18.301 23.172 ( 1.294 -0.000 1.702) 2.138 23.700 ( 7.381 -0.000 -3.088) 8.001 ======================= Grid point 325 (153/361) ======================= q-point: ( 0.20 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.683 ( 3.698 11.051 8.562) 14.461 2.942 ( 8.482 -7.510 4.195) 12.080 3.263 ( 2.356 2.912 3.755) 5.304 3.492 ( -0.505 4.735 -5.060) 6.948 3.624 ( -5.548 -1.981 -8.061) 9.985 4.027 ( 3.634 6.072 -12.614) 14.463 4.238 ( 1.161 -7.207 -6.190) 9.571 4.390 ( -2.948 -3.430 8.843) 9.932 5.020 ( -17.964 -3.957 9.648) 20.772 5.410 ( -11.003 0.039 5.837) 12.455 5.904 ( -0.998 0.227 -1.374) 1.714 6.024 ( -8.945 -1.831 -3.762) 9.875 6.519 ( 3.945 -0.095 1.984) 4.417 6.674 ( 6.755 1.782 -3.668) 7.891 6.856 ( -10.641 0.774 31.126) 32.904 7.602 ( -10.703 20.582 5.662) 23.879 8.058 ( -11.501 -18.715 15.974) 27.161 9.005 ( 1.650 3.423 -0.350) 3.816 9.160 ( -0.285 0.948 1.382) 1.699 9.672 ( -7.813 1.058 -8.606) 11.671 9.991 ( 10.600 -6.420 13.840) 18.578 11.001 ( 14.727 14.522 3.013) 20.901 11.307 ( 15.392 -10.518 -4.010) 19.069 11.780 ( 9.557 2.196 -6.669) 11.859 12.190 ( -4.523 -6.635 4.762) 9.336 12.609 ( -10.088 2.129 3.599) 10.921 12.962 ( 2.097 -1.406 -10.255) 10.561 13.725 ( 1.095 0.972 -4.652) 4.877 18.087 ( -7.273 2.357 -15.189) 17.005 18.249 ( 4.095 -1.278 -3.141) 5.317 18.713 ( -4.356 -2.867 4.290) 6.753 19.344 ( -16.774 -1.654 3.911) 17.303 21.396 ( 4.270 20.157 -7.559) 21.947 21.755 ( 9.404 -18.007 3.107) 20.550 23.241 ( 4.429 -1.577 1.479) 4.928 23.761 ( 6.339 1.109 -1.905) 6.711 ======================= Grid point 326 (154/361) ======================= q-point: (-0.70 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( -6.855 16.061 2.133) 17.593 3.014 ( -5.141 -3.976 -6.373) 9.103 3.304 ( 2.622 -4.884 -0.003) 5.543 3.416 ( -3.695 5.754 -4.643) 8.265 3.558 ( 0.732 2.381 7.516) 7.918 3.921 ( 8.945 5.087 -10.644) 14.805 4.310 ( 4.503 -10.315 -3.367) 11.748 4.503 ( -1.200 -1.972 9.007) 9.298 4.901 ( -16.756 -7.846 3.748) 18.877 5.275 ( -15.852 -2.356 3.275) 16.357 5.770 ( -7.752 2.753 -3.728) 9.032 5.896 ( -6.916 -3.581 -4.855) 9.177 6.598 ( 3.482 2.534 0.117) 4.307 6.731 ( 6.408 -0.841 0.219) 6.467 7.071 ( -12.953 -0.439 29.792) 32.489 7.381 ( -4.947 15.227 3.639) 16.419 8.193 ( -11.760 -13.249 10.869) 20.784 8.982 ( 0.396 7.150 1.396) 7.295 9.165 ( -0.804 1.733 2.664) 3.279 9.481 ( -7.696 -6.344 -8.222) 12.926 10.362 ( 11.355 -3.893 13.259) 17.886 10.970 ( 10.896 25.799 -2.792) 28.145 11.692 ( 16.204 -11.644 5.048) 20.582 11.810 ( 9.933 1.396 -5.341) 11.364 12.276 ( -0.033 -8.949 3.673) 9.674 12.478 ( -11.365 3.598 3.963) 12.562 12.842 ( -4.777 -2.149 -8.425) 9.921 13.728 ( 7.652 -2.381 -6.299) 10.193 17.776 ( -8.464 -0.381 -17.138) 19.118 18.327 ( 5.291 1.007 5.599) 7.769 18.749 ( 0.570 -4.024 0.527) 4.098 19.222 ( -11.444 -3.835 5.082) 13.096 21.110 ( 2.583 16.521 -17.478) 24.189 22.115 ( 4.946 -15.485 10.976) 19.614 23.349 ( 6.807 -0.740 1.650) 7.044 23.811 ( 5.059 2.497 0.129) 5.643 ======================= Grid point 327 (155/361) ======================= q-point: (-0.60 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( -11.952 15.709 3.260) 20.006 2.799 ( -14.622 4.269 -5.155) 16.081 3.318 ( 1.502 -2.440 -0.643) 2.937 3.385 ( -1.010 -8.449 -1.835) 8.705 3.598 ( -1.180 7.901 4.656) 9.246 3.883 ( 1.385 1.424 -5.460) 5.810 4.355 ( -8.705 -0.598 3.606) 9.441 4.615 ( 6.942 -5.416 -0.187) 8.807 4.845 ( -5.920 -9.247 2.099) 11.178 5.168 ( -11.117 -8.216 4.697) 14.600 5.614 ( -8.874 0.083 -0.269) 8.878 5.772 ( -7.131 -2.506 -3.502) 8.331 6.558 ( -1.728 4.902 -1.767) 5.489 6.857 ( 6.066 -3.592 1.125) 7.139 7.129 ( -18.580 3.529 18.823) 26.683 7.324 ( 1.014 4.228 3.899) 5.840 8.254 ( -9.834 -10.037 8.457) 16.401 8.903 ( -2.300 11.793 2.015) 12.183 9.186 ( 1.050 -0.728 1.960) 2.340 9.397 ( -5.293 -10.685 -3.440) 12.411 10.645 ( 8.364 3.950 7.354) 11.817 10.835 ( 8.353 26.060 0.327) 27.368 11.774 ( 6.021 1.433 -8.707) 10.682 12.063 ( 2.258 -5.816 7.532) 9.781 12.326 ( -7.802 -0.564 -0.720) 7.856 12.476 ( 10.173 -2.924 6.548) 12.446 12.718 ( -5.039 -4.636 -1.535) 7.017 13.820 ( 12.431 -8.252 -9.905) 17.909 17.468 ( -8.011 -0.126 -14.862) 16.884 18.502 ( 7.342 1.279 9.309) 11.925 18.803 ( 2.071 -4.921 -1.072) 5.446 19.223 ( -1.844 -3.896 4.794) 6.447 20.781 ( 0.732 14.183 -18.564) 23.374 22.381 ( -4.400 -15.965 8.845) 18.775 23.471 ( 8.064 1.603 1.291) 8.322 23.878 ( 4.774 1.829 4.297) 6.679 ======================= Grid point 328 (156/361) ======================= q-point: (-0.50 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -15.453 14.880 7.480) 22.719 2.435 ( -20.362 10.462 -4.064) 23.251 3.353 ( -10.189 2.869 2.807) 10.951 3.472 ( 7.446 -4.836 2.962) 9.360 3.508 ( -4.816 1.979 3.478) 6.262 3.810 ( -5.885 -2.700 -0.339) 6.484 4.241 ( -11.992 -4.439 2.786) 13.087 4.755 ( 6.993 -7.563 -4.358) 11.185 4.943 ( 5.031 -5.593 2.770) 8.016 5.211 ( -5.697 -8.875 7.520) 12.953 5.523 ( -9.749 -7.659 0.760) 12.421 5.683 ( -3.928 -0.309 0.395) 3.960 6.444 ( -7.130 3.478 -0.479) 7.947 6.920 ( -7.735 -0.819 2.902) 8.302 7.063 ( -9.002 -2.507 8.599) 12.699 7.319 ( 1.129 1.363 -3.856) 4.243 8.301 ( -6.780 -3.917 7.184) 10.626 8.808 ( -1.573 7.723 2.829) 8.374 9.249 ( 2.569 0.422 4.222) 4.960 9.430 ( -3.336 -13.933 0.305) 14.330 10.548 ( 4.987 29.051 -4.295) 29.787 10.903 ( 5.501 6.446 8.827) 12.236 11.711 ( 3.035 2.561 -9.165) 9.988 12.061 ( -16.277 1.915 11.815) 20.204 12.220 ( -1.413 -2.483 -9.203) 9.637 12.624 ( 1.162 -6.354 -0.251) 6.465 12.900 ( 14.522 -1.313 7.939) 16.602 13.972 ( 14.548 -13.474 -12.376) 23.374 17.241 ( -4.816 -0.311 -6.595) 8.173 18.670 ( 4.815 -1.188 2.319) 5.474 18.882 ( 5.463 0.129 2.496) 6.007 19.345 ( 7.936 -1.687 4.109) 9.095 20.452 ( -2.172 10.662 -15.916) 19.280 22.483 ( -13.326 -17.283 5.045) 22.400 23.546 ( 6.916 5.063 -1.390) 8.684 24.034 ( 5.132 -2.317 9.258) 10.836 ======================= Grid point 329 (157/361) ======================= q-point: (-0.40 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -17.123 14.357 12.395) 25.554 1.961 ( -25.223 15.822 -1.912) 29.836 3.148 ( -15.833 22.301 19.402) 33.533 3.463 ( -6.574 -7.666 -0.729) 10.125 3.689 ( 3.556 -8.890 -0.535) 9.589 3.793 ( -5.102 -5.077 6.891) 9.964 4.239 ( -1.289 -11.751 0.555) 11.834 4.825 ( 2.813 -8.111 -5.632) 10.268 5.106 ( 5.493 -4.982 3.476) 8.190 5.332 ( -2.058 -6.808 9.976) 12.252 5.474 ( -9.867 -10.334 -0.556) 14.299 5.690 ( 0.147 -0.346 3.862) 3.880 6.306 ( -13.016 -1.548 3.564) 13.584 6.761 ( -16.875 -2.746 0.519) 17.104 7.091 ( -2.896 -4.744 -0.141) 5.560 7.272 ( 3.311 1.624 -4.762) 6.023 8.286 ( -2.353 8.781 4.788) 10.274 8.782 ( -2.711 -1.610 0.642) 3.218 9.366 ( 4.276 1.268 8.867) 9.925 9.530 ( -3.768 -16.444 0.458) 16.876 10.284 ( 2.372 28.814 -4.769) 29.302 10.975 ( 1.830 10.258 6.641) 12.356 11.609 ( 1.145 2.404 -8.152) 8.576 11.946 ( -15.317 2.039 9.512) 18.145 12.140 ( -1.491 -2.755 -3.405) 4.627 12.685 ( 2.102 -6.935 -3.892) 8.226 13.108 ( 11.226 6.338 -1.912) 13.033 14.152 ( 13.689 -15.904 -12.944) 24.655 17.246 ( 2.923 -4.833 8.328) 10.062 18.712 ( 3.437 -4.158 -7.112) 8.927 18.970 ( 7.395 8.685 1.955) 11.573 19.556 ( 14.450 2.509 5.019) 15.502 20.174 ( -5.041 5.454 -10.108) 12.543 22.467 ( -19.586 -20.581 3.970) 28.688 23.555 ( 5.967 6.111 -2.913) 9.024 24.223 ( 1.569 -4.513 6.411) 7.996 ======================= Grid point 330 (158/361) ======================= q-point: (-0.30 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -19.047 20.873 8.626) 29.545 1.664 ( -15.868 12.435 18.340) 27.254 3.056 ( -15.415 19.253 31.921) 40.340 3.412 ( -8.359 -7.997 -1.677) 11.689 3.728 ( 3.222 -0.418 -1.226) 3.472 3.907 ( -4.062 -10.604 6.761) 13.216 4.360 ( 3.616 -13.482 -4.552) 14.682 4.875 ( 0.788 -8.310 -2.340) 8.669 5.253 ( 2.619 -3.788 4.445) 6.400 5.363 ( -5.657 -3.666 -6.294) 9.223 5.537 ( -5.125 -10.434 15.273) 19.194 5.757 ( -1.284 -3.595 5.703) 6.862 6.243 ( -13.497 -10.273 8.206) 18.843 6.563 ( -8.040 -0.059 -4.645) 9.285 7.039 ( -7.031 -3.303 -1.320) 7.880 7.276 ( 2.640 -1.274 -3.512) 4.574 8.199 ( 0.203 19.699 4.415) 20.188 8.783 ( -3.267 -7.766 1.108) 8.498 9.518 ( 4.239 2.243 6.352) 7.959 9.585 ( -7.501 -15.740 -2.452) 17.607 10.017 ( 0.152 24.014 -2.684) 24.164 10.931 ( -0.596 16.172 4.567) 16.815 11.537 ( 2.478 -0.455 -5.756) 6.283 11.837 ( -10.976 1.562 5.250) 12.266 12.136 ( -0.846 -0.918 1.032) 1.620 12.697 ( 2.093 -4.484 -7.160) 8.703 13.068 ( 4.272 11.250 -6.399) 13.629 14.284 ( 9.808 -14.292 -15.912) 23.530 17.609 ( 11.776 -14.807 16.765) 25.278 18.707 ( 6.699 -4.818 -10.035) 12.992 18.984 ( 8.002 10.382 -1.582) 13.203 19.780 ( 12.607 11.044 7.224) 18.251 19.985 ( -3.053 -0.888 -6.570) 7.299 22.425 ( -23.400 -25.753 5.364) 35.207 23.548 ( 5.763 4.978 -3.442) 8.357 24.234 ( -7.455 -0.156 -3.839) 8.387 ======================= Grid point 331 (159/361) ======================= q-point: (-0.20 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.982 14.646 21.280) 26.004 1.638 ( -11.350 7.257 24.680) 28.117 3.120 ( -10.946 12.514 32.450) 36.461 3.346 ( -5.965 -4.474 -1.179) 7.549 3.818 ( 7.491 -1.391 1.880) 7.848 3.995 ( -4.410 -8.648 3.180) 10.215 4.460 ( 3.322 -12.428 -5.030) 13.812 4.916 ( -0.643 -2.410 1.484) 2.903 5.227 ( -3.866 -0.121 -6.063) 7.191 5.315 ( -3.163 0.584 2.794) 4.260 5.655 ( -24.021 -20.329 7.748) 32.409 5.946 ( 9.994 -4.040 14.472) 18.045 6.227 ( -6.877 -6.047 0.573) 9.176 6.530 ( 0.168 -2.904 6.080) 6.740 6.949 ( -7.407 -3.652 -1.660) 8.424 7.236 ( -3.304 -0.881 -4.264) 5.466 8.089 ( 0.055 22.658 10.271) 24.877 8.865 ( -1.127 -10.216 3.406) 10.827 9.452 ( -4.030 4.586 -7.430) 9.616 9.650 ( -5.511 -14.246 1.427) 15.342 9.833 ( 2.724 18.530 1.862) 18.822 10.796 ( -1.051 20.771 2.551) 20.953 11.543 ( 4.980 -2.681 -5.840) 8.130 11.722 ( -8.333 0.401 -1.081) 8.412 12.129 ( -1.094 4.763 3.379) 5.942 12.693 ( 3.972 -2.042 -3.315) 5.562 12.955 ( 0.435 7.627 -2.702) 8.103 14.286 ( 5.247 -10.679 -19.396) 22.755 18.025 ( 9.029 -12.552 1.518) 15.536 18.759 ( -4.029 -15.450 -3.976) 16.455 19.067 ( 23.324 8.319 -1.686) 24.820 19.711 ( -6.586 12.363 -0.414) 14.014 20.095 ( 15.880 1.658 3.253) 16.294 22.404 ( -25.001 -29.828 5.319) 39.282 23.548 ( 5.603 3.222 -3.890) 7.544 23.916 ( -16.398 12.094 -10.151) 22.764 ======================= Grid point 332 (160/361) ======================= q-point: (-0.10 0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( 12.601 4.989 18.999) 23.337 1.840 ( -0.785 0.405 29.740) 29.753 3.225 ( -1.177 -3.601 -0.901) 3.894 3.382 ( -2.444 9.464 26.937) 28.656 3.932 ( 3.497 -7.236 -6.455) 10.308 4.019 ( -4.361 -1.743 5.870) 7.517 4.539 ( 1.362 -9.587 -6.421) 11.619 4.944 ( 5.733 0.790 -9.098) 10.782 5.171 ( -4.849 -2.794 7.707) 9.524 5.221 ( -10.307 4.076 5.242) 12.260 5.485 ( -23.347 -4.474 7.758) 25.006 6.224 ( -0.271 -1.531 4.592) 4.848 6.348 ( 10.504 -9.281 8.796) 16.548 6.619 ( -8.811 -3.493 10.318) 14.011 6.866 ( -1.939 -4.432 -8.841) 10.078 7.179 ( -7.845 -5.334 9.593) 13.491 8.056 ( -0.642 19.279 14.626) 24.208 8.970 ( -1.585 -8.924 1.633) 9.210 9.265 ( -0.958 7.020 -6.905) 9.893 9.609 ( -9.050 0.188 1.880) 9.245 9.892 ( 8.779 -5.508 1.323) 10.448 10.608 ( -0.143 22.890 0.438) 22.894 11.499 ( 1.116 1.102 -11.801) 11.905 11.644 ( 0.342 -4.929 -3.209) 5.891 12.128 ( -1.990 7.120 8.932) 11.595 12.764 ( 4.409 -2.863 -0.385) 5.272 12.886 ( 1.049 4.359 -1.172) 4.634 14.171 ( 0.992 -6.782 -19.410) 20.584 18.148 ( 8.536 -3.851 -8.666) 12.759 18.729 ( -11.994 -15.499 -3.115) 19.844 19.227 ( -0.705 8.217 -3.747) 9.058 19.576 ( 8.709 5.896 -1.819) 10.673 20.388 ( 17.984 0.117 8.272) 19.795 22.341 ( -24.708 -24.581 -1.127) 34.871 23.418 ( -10.846 16.698 -4.999) 20.529 23.598 ( 4.756 2.975 -3.763) 6.755 ======================= Grid point 335 (161/361) ======================= q-point: ( 0.20 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -4.299 0.000 5.029) 6.617 2.857 ( -1.687 0.000 -11.250) 11.376 3.266 ( -4.670 0.000 0.104) 4.671 3.451 ( -4.985 0.000 -7.731) 9.199 3.605 ( 2.915 -0.000 10.806) 11.193 3.988 ( 9.761 -0.000 -15.783) 18.557 4.191 ( 5.692 -0.000 0.470) 5.712 4.466 ( -3.544 0.000 10.661) 11.235 4.846 ( -14.957 0.000 5.192) 15.832 5.249 ( -17.911 0.000 1.544) 17.977 5.812 ( -5.834 0.000 -5.250) 7.849 5.846 ( -7.745 0.000 -3.756) 8.608 6.627 ( 5.307 -0.000 3.816) 6.536 6.719 ( 7.049 -0.000 -6.687) 9.716 7.065 ( -15.719 0.000 31.361) 35.080 7.555 ( -10.464 0.000 1.160) 10.528 8.040 ( -9.221 0.000 15.544) 18.074 9.039 ( 2.060 -0.000 -0.117) 2.064 9.190 ( -1.785 0.000 4.419) 4.765 9.422 ( -8.605 0.000 -11.072) 14.023 10.325 ( 12.802 -0.000 15.376) 20.008 11.340 ( 17.037 -0.000 -8.430) 19.009 11.457 ( 14.795 -0.000 11.588) 18.793 11.830 ( 8.111 -0.000 -7.368) 10.958 12.179 ( 0.032 -0.000 6.428) 6.428 12.511 ( -12.156 0.000 4.309) 12.897 12.820 ( -3.838 0.000 -9.847) 10.569 13.707 ( 5.895 -0.000 -7.281) 9.368 17.773 ( -8.406 0.000 -17.527) 19.438 18.336 ( 4.985 -0.000 6.162) 7.926 18.713 ( 1.095 -0.000 0.500) 1.204 19.187 ( -11.067 0.000 4.742) 12.040 21.288 ( 1.666 -0.000 -23.913) 23.971 21.948 ( 4.754 -0.000 16.824) 17.483 23.341 ( 6.887 -0.000 2.903) 7.474 23.833 ( 5.364 -0.000 -0.395) 5.378 ======================= Grid point 336 (162/361) ======================= q-point: (-0.70 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -6.961 12.229 -5.880) 15.251 2.809 ( -9.142 -3.243 -2.737) 10.079 3.237 ( -4.204 -5.315 2.613) 7.263 3.289 ( -7.498 -1.270 -4.282) 8.728 3.712 ( -0.573 3.705 7.172) 8.092 3.901 ( 2.562 0.510 -13.527) 13.777 4.353 ( 5.582 0.057 6.370) 8.469 4.525 ( -4.223 -4.380 7.171) 9.404 4.779 ( -3.167 2.300 4.243) 5.773 5.014 ( -17.771 -7.787 0.363) 19.406 5.638 ( -8.880 1.546 -3.879) 9.813 5.733 ( -5.167 -1.585 -2.226) 5.846 6.659 ( 2.077 6.175 -4.473) 7.903 6.775 ( 5.192 -5.537 -0.729) 7.625 7.125 ( -23.862 -1.185 22.865) 33.070 7.448 ( -4.095 5.769 3.399) 7.849 8.105 ( -8.294 -5.403 11.530) 15.197 9.066 ( 2.379 4.856 1.139) 5.526 9.168 ( -4.430 1.116 -1.900) 4.948 9.252 ( -4.253 -6.133 -2.185) 7.777 10.658 ( 10.327 0.013 12.526) 16.235 11.336 ( 12.578 26.005 -3.370) 29.083 11.765 ( 5.775 -5.833 -2.864) 8.693 11.880 ( 7.014 -10.756 -1.538) 12.932 12.306 ( -10.843 -0.981 10.381) 15.043 12.461 ( 9.838 0.468 5.242) 11.157 12.646 ( -7.236 -2.688 -6.301) 9.964 13.718 ( 10.545 -2.985 -11.956) 16.219 17.466 ( -7.754 -0.080 -14.674) 16.597 18.519 ( 7.439 0.575 9.075) 11.749 18.746 ( 3.991 -1.579 -1.258) 4.472 19.172 ( -0.684 -1.608 5.541) 5.810 20.977 ( -0.923 6.611 -23.147) 24.090 22.166 ( -4.319 -7.140 12.266) 14.835 23.489 ( 7.498 0.472 4.879) 8.958 23.901 ( 4.503 0.708 1.305) 4.741 ======================= Grid point 337 (163/361) ======================= q-point: (-0.60 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.327 ( -9.576 13.151 -0.627) 16.280 2.598 ( -13.404 7.485 -3.116) 15.665 3.203 ( -7.739 -9.152 -0.219) 11.987 3.317 ( -1.250 -9.322 6.540) 11.456 3.707 ( -2.108 6.084 0.378) 6.450 3.767 ( -4.828 -2.117 -2.949) 6.040 4.290 ( -13.050 11.700 4.034) 17.986 4.637 ( 2.930 -5.183 2.050) 6.297 4.822 ( 2.576 -7.714 2.266) 8.442 4.999 ( -7.379 -13.102 6.531) 16.394 5.471 ( -9.216 -0.256 -1.035) 9.277 5.685 ( -1.079 0.390 1.007) 1.526 6.531 ( -5.275 6.117 -3.694) 8.882 6.838 ( -6.775 -7.043 -2.560) 10.103 7.013 ( -17.361 -2.446 11.266) 20.840 7.405 ( -0.829 6.003 2.275) 6.473 8.189 ( -6.250 -6.243 11.021) 14.124 8.970 ( -0.858 7.981 -3.813) 8.887 9.190 ( -0.818 -6.163 3.535) 7.152 9.267 ( -1.467 -3.971 2.780) 5.064 10.880 ( 7.046 5.775 6.568) 11.231 11.198 ( 7.363 28.239 0.271) 29.185 11.744 ( 2.593 1.010 -8.174) 8.635 12.033 ( -3.101 -8.066 2.078) 8.888 12.186 ( -11.238 -0.475 1.323) 11.325 12.503 ( -4.830 -6.081 -2.153) 8.059 12.855 ( 18.066 -2.795 10.457) 21.060 13.772 ( 13.709 -8.303 -15.418) 22.239 17.236 ( -4.893 -0.238 -8.146) 9.505 18.648 ( 5.747 -1.022 -4.935) 7.643 18.890 ( 8.736 0.552 10.062) 13.337 19.322 ( 10.113 -0.960 6.127) 11.863 20.615 ( -4.417 7.174 -20.408) 22.079 22.232 ( -13.141 -10.451 6.501) 18.005 23.625 ( 5.587 3.555 4.249) 7.868 23.995 ( 4.153 -1.903 4.245) 6.236 ======================= Grid point 338 (164/361) ======================= q-point: (-0.50 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( -11.623 14.298 5.611) 19.262 2.255 ( -17.001 16.729 0.368) 23.854 3.204 ( -8.152 -11.015 3.114) 14.053 3.489 ( -1.036 -10.575 6.536) 12.475 3.564 ( -8.879 7.970 1.612) 12.040 3.752 ( -2.952 -0.112 5.907) 6.604 4.111 ( -3.756 1.652 1.089) 4.245 4.700 ( 0.039 -5.631 -2.137) 6.023 4.941 ( -4.780 -11.293 3.584) 12.776 5.135 ( -3.736 -14.116 8.261) 16.776 5.400 ( -3.859 0.251 4.955) 6.285 5.716 ( 2.768 2.037 3.079) 4.614 6.313 ( -18.791 2.183 1.686) 18.993 6.654 ( -14.615 -8.049 -5.923) 17.705 7.020 ( -0.693 -3.567 0.334) 3.649 7.353 ( -0.984 6.410 0.461) 6.501 8.295 ( -3.947 -4.892 9.865) 11.698 8.852 ( -1.895 7.059 -2.499) 7.724 9.258 ( -5.466 -11.828 2.031) 13.188 9.376 ( 4.445 -0.993 7.576) 8.840 10.811 ( 4.463 27.108 -5.083) 27.939 11.157 ( 3.367 12.141 8.644) 15.279 11.652 ( 0.423 1.954 -8.062) 8.306 11.991 ( -15.791 2.266 11.301) 19.550 12.092 ( 0.909 -2.899 -5.958) 6.688 12.530 ( 0.084 -10.541 -2.859) 10.922 13.171 ( 12.754 1.399 2.641) 13.100 13.879 ( 14.116 -13.936 -15.646) 25.264 17.180 ( 0.970 -2.655 2.856) 4.019 18.635 ( 4.715 -3.928 -11.693) 13.206 19.111 ( 9.878 6.663 7.652) 14.160 19.597 ( 18.423 1.928 6.735) 19.710 20.265 ( -7.577 4.618 -14.715) 17.184 22.164 ( -19.690 -13.432 3.865) 24.146 23.669 ( 3.386 6.509 0.915) 7.393 24.134 ( 1.605 -5.311 4.928) 7.421 ======================= Grid point 339 (165/361) ======================= q-point: (-0.40 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -14.428 18.887 9.597) 25.632 1.916 ( -11.631 18.988 10.247) 24.512 3.233 ( -7.457 -10.070 3.088) 12.905 3.371 ( -13.466 11.197 12.026) 21.245 3.636 ( 0.322 -11.746 0.611) 11.766 3.816 ( -1.503 2.009 11.295) 11.570 4.156 ( 4.883 -6.571 -3.671) 8.972 4.733 ( 0.645 -7.961 -1.135) 8.067 5.012 ( -13.766 -17.762 9.576) 24.428 5.272 ( -2.675 -8.059 3.610) 9.227 5.452 ( -4.462 0.044 10.554) 11.459 5.766 ( 1.584 2.521 3.473) 4.575 6.104 ( -16.095 -6.172 5.881) 18.213 6.503 ( -4.492 -6.021 -7.752) 10.794 7.005 ( -2.770 -1.534 -3.061) 4.404 7.294 ( -0.810 3.769 -0.480) 3.885 8.393 ( -0.939 0.334 8.235) 8.295 8.729 ( -4.896 4.194 -0.697) 6.485 9.298 ( -7.798 -14.351 0.284) 16.336 9.543 ( 4.452 0.344 7.678) 8.883 10.522 ( 2.657 30.476 -6.574) 31.290 11.184 ( 0.212 12.130 8.281) 14.689 11.549 ( 1.133 1.358 -7.431) 7.639 11.885 ( -11.857 3.389 7.676) 14.525 12.115 ( 3.098 -1.382 0.792) 3.484 12.579 ( 1.471 -8.622 -5.104) 10.127 13.227 ( 5.110 6.660 -6.384) 10.546 14.007 ( 10.447 -16.259 -15.598) 24.835 17.398 ( 8.415 -9.111 13.195) 18.109 18.582 ( 3.272 -7.288 -14.661) 16.697 19.202 ( 10.924 12.317 -1.483) 16.530 19.907 ( 14.262 0.915 0.501) 14.301 20.014 ( -2.268 6.344 -0.057) 6.737 22.049 ( -22.929 -16.830 5.031) 28.884 23.648 ( 2.661 6.234 -1.249) 6.892 24.193 ( -4.486 -4.022 -0.654) 6.060 ======================= Grid point 340 (166/361) ======================= q-point: (-0.30 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -2.020 19.582 15.578) 25.104 1.808 ( -9.909 12.747 18.083) 24.241 3.188 ( -8.288 -6.973 -2.128) 11.039 3.372 ( -4.640 6.674 19.994) 21.583 3.732 ( 3.244 -8.804 -3.750) 10.105 3.938 ( -3.329 3.738 17.686) 18.381 4.227 ( 4.320 -11.853 -7.273) 14.562 4.839 ( 4.046 -7.254 0.766) 8.342 5.070 ( -18.746 -16.078 11.092) 27.073 5.290 ( -6.988 -3.050 2.961) 8.179 5.463 ( -9.964 -1.656 9.472) 13.847 5.882 ( 5.143 -2.973 9.431) 11.146 6.110 ( -4.060 -6.886 4.630) 9.237 6.461 ( 0.347 -5.603 -2.382) 6.098 6.916 ( -4.690 -0.369 -3.686) 5.977 7.231 ( -3.235 1.339 -2.771) 4.465 8.423 ( -0.591 13.224 8.208) 15.576 8.690 ( -4.053 -7.672 3.556) 9.377 9.305 ( -7.829 -13.478 -1.060) 15.623 9.629 ( 1.218 4.106 2.377) 4.899 10.232 ( 2.227 26.034 -4.553) 26.523 11.131 ( -2.259 16.331 6.137) 17.591 11.505 ( 4.595 -1.425 -6.569) 8.142 11.765 ( -9.097 3.921 0.681) 9.930 12.190 ( 3.762 2.284 3.377) 5.547 12.620 ( 3.098 -5.675 -2.555) 6.952 13.104 ( -0.384 8.124 -6.221) 10.239 14.056 ( 5.490 -14.859 -17.960) 23.948 17.800 ( 10.798 -12.125 10.615) 19.398 18.516 ( -1.644 -11.909 -11.880) 16.901 19.222 ( 15.332 8.910 -6.960) 19.050 19.799 ( -9.351 -1.361 -3.287) 10.005 20.234 ( 19.083 12.976 8.820) 24.705 21.969 ( -21.472 -19.545 6.721) 29.803 23.615 ( 2.680 4.268 -2.576) 5.660 24.041 ( -10.976 2.924 -7.299) 13.501 ======================= Grid point 341 (167/361) ======================= q-point: (-0.20 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 1.438 7.502 17.291) 18.903 1.904 ( 5.020 8.018 23.065) 24.930 3.131 ( -2.104 -6.876 -5.402) 8.993 3.526 ( -1.357 2.696 17.646) 17.903 3.786 ( 1.558 -6.754 -4.566) 8.300 4.039 ( -5.037 5.416 15.939) 17.571 4.323 ( 4.559 -14.028 -8.705) 17.127 4.913 ( -0.361 -5.725 -8.960) 10.639 5.099 ( -9.343 -4.569 19.508) 22.107 5.252 ( -8.740 -1.314 8.150) 12.022 5.451 ( -8.352 1.810 8.751) 12.231 6.155 ( 5.836 -10.223 10.466) 15.752 6.177 ( -1.384 -5.002 5.726) 7.728 6.534 ( -2.589 -6.429 5.757) 9.010 6.806 ( -3.110 -1.899 -7.200) 8.070 7.122 ( -6.845 -0.393 -0.873) 6.911 8.388 ( -2.196 16.840 12.686) 21.198 8.783 ( -2.653 -11.682 2.898) 12.325 9.297 ( -4.262 -7.067 -2.377) 8.588 9.585 ( -0.612 4.960 -0.609) 5.035 10.041 ( 3.017 16.806 -1.536) 17.143 10.988 ( -3.083 19.073 2.720) 19.511 11.518 ( 6.044 -0.221 -9.786) 11.504 11.591 ( -5.397 0.902 -3.788) 6.655 12.248 ( 1.879 5.705 5.939) 8.447 12.707 ( 3.425 -3.308 0.855) 4.837 12.976 ( -0.250 5.424 -2.778) 6.099 14.001 ( 1.279 -12.073 -18.387) 22.033 18.060 ( 9.295 -5.689 -3.638) 11.489 18.472 ( -8.312 -13.565 -2.847) 16.161 19.296 ( 7.903 0.371 -7.246) 10.728 19.664 ( -1.809 2.524 -2.950) 4.283 20.464 ( 13.087 9.729 10.805) 19.562 21.956 ( -14.165 -18.100 3.787) 23.293 23.578 ( 0.105 3.307 -4.056) 5.234 23.726 ( -8.484 9.231 -7.612) 14.667 ======================= Grid point 342 (168/361) ======================= q-point: (-0.10 0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 4.020 -1.087 19.510) 19.950 2.271 ( 14.569 3.072 20.121) 25.031 3.124 ( 3.748 -6.215 -7.360) 10.336 3.632 ( -4.282 -8.083 0.022) 9.147 3.802 ( -1.343 1.408 4.233) 4.658 4.104 ( -1.206 3.174 7.798) 8.505 4.332 ( -1.072 -8.787 -9.733) 13.157 4.739 ( -7.757 1.343 -10.103) 12.808 5.237 ( -1.936 3.456 4.379) 5.905 5.331 ( -4.094 1.913 16.408) 17.019 5.490 ( -2.771 1.701 24.171) 24.389 6.234 ( -4.553 -2.284 6.215) 8.035 6.439 ( 5.427 -12.234 1.106) 13.430 6.578 ( -5.323 -0.812 3.884) 6.639 6.703 ( -5.849 -3.204 -1.569) 6.852 7.123 ( -5.650 -12.507 9.552) 16.721 8.354 ( -5.396 17.530 14.484) 23.371 8.869 ( -2.137 -10.469 0.820) 10.716 9.237 ( -1.568 1.748 -3.841) 4.502 9.566 ( 0.387 1.520 2.710) 3.131 9.990 ( 4.723 4.946 -0.646) 6.869 10.800 ( -1.534 17.284 0.187) 17.353 11.373 ( 1.296 2.745 -11.704) 12.091 11.615 ( 7.125 -3.525 -4.581) 9.175 12.279 ( -0.814 7.838 7.464) 10.854 12.729 ( -4.435 -2.724 -0.354) 5.217 12.972 ( 7.593 3.329 -1.359) 8.401 13.887 ( -1.786 -8.780 -14.703) 17.217 18.128 ( 7.011 -4.372 -8.822) 12.087 18.450 ( -6.924 -8.943 -0.653) 11.329 19.137 ( -10.445 7.531 -6.924) 14.620 19.644 ( -0.581 0.841 -0.946) 1.393 20.728 ( 11.183 -1.930 12.310) 16.743 21.949 ( -4.559 -8.618 -4.609) 10.784 23.365 ( -6.250 10.322 -4.011) 12.716 23.642 ( 5.274 0.642 -3.669) 6.457 ======================= Grid point 346 (169/361) ======================= q-point: ( 0.30 -0.70 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( -5.381 0.000 -7.459) 9.198 2.666 ( -9.328 0.000 -0.185) 9.330 3.118 ( -11.444 0.000 0.609) 11.460 3.212 ( -4.736 0.000 8.300) 9.556 3.730 ( -2.861 0.000 -10.900) 11.269 3.754 ( -4.819 0.000 4.060) 6.301 4.548 ( 0.122 -0.000 4.689) 4.691 4.558 ( 4.125 -0.000 10.067) 10.879 4.664 ( -18.123 0.000 -2.907) 18.355 4.870 ( -0.993 0.000 6.369) 6.446 5.472 ( -9.142 0.000 -1.459) 9.258 5.690 ( 0.177 -0.000 1.051) 1.066 6.619 ( 0.991 -0.000 -10.351) 10.399 6.739 ( -13.248 0.000 1.983) 13.395 6.991 ( -18.438 0.000 12.018) 22.009 7.467 ( -2.508 0.000 3.283) 4.131 8.129 ( -6.108 0.000 12.375) 13.801 9.024 ( -1.256 0.000 -9.468) 9.551 9.182 ( 4.669 -0.000 5.267) 7.039 9.201 ( -6.441 0.000 5.205) 8.281 10.920 ( 7.803 -0.000 9.788) 12.518 11.611 ( 12.670 -0.000 -8.403) 15.203 11.730 ( -3.836 0.000 2.439) 4.545 11.830 ( 5.987 -0.000 -6.433) 8.788 12.189 ( -16.866 0.000 7.965) 18.652 12.448 ( -8.095 0.000 -4.294) 9.163 12.827 ( 19.734 -0.000 11.155) 22.668 13.697 ( 13.276 -0.000 -16.555) 21.220 17.234 ( -4.874 0.000 -8.679) 9.954 18.639 ( 6.280 -0.000 -7.604) 9.862 18.896 ( 9.467 -0.000 12.696) 15.837 19.313 ( 11.040 -0.000 6.958) 13.050 20.683 ( -5.177 0.000 -22.746) 23.327 22.136 ( -12.871 0.000 7.702) 14.999 23.659 ( 4.989 -0.000 7.566) 9.063 23.976 ( 3.925 -0.000 1.199) 4.104 ======================= Grid point 348 (170/361) ======================= q-point: (-0.60 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -6.194 8.558 0.261) 10.568 2.500 ( -9.390 8.761 0.732) 12.863 3.024 ( -10.489 -6.851 4.468) 13.301 3.297 ( -4.753 -8.063 8.675) 12.761 3.614 ( -2.107 0.426 -4.355) 4.856 3.704 ( -6.187 -3.662 1.244) 7.297 4.343 ( -7.094 17.891 5.038) 19.894 4.624 ( -1.371 -4.068 -0.960) 4.399 4.757 ( -1.648 -9.522 4.541) 10.677 4.904 ( -10.425 -8.872 10.979) 17.548 5.413 ( -1.907 0.608 5.433) 5.790 5.745 ( 4.100 0.947 2.929) 5.127 6.370 ( -28.041 3.509 0.608) 28.266 6.522 ( -6.667 -5.808 -9.526) 12.998 6.971 ( -1.432 -1.679 1.944) 2.941 7.449 ( -2.045 3.368 1.360) 4.168 8.213 ( -5.606 -2.981 12.453) 13.978 8.925 ( 0.345 0.385 -6.836) 6.855 9.154 ( -7.825 -0.276 4.826) 9.197 9.346 ( 5.394 -1.773 8.054) 9.855 11.084 ( 5.748 5.134 4.088) 8.724 11.492 ( 1.807 21.826 -1.529) 21.954 11.671 ( -1.062 0.186 -6.737) 6.823 11.945 ( 3.241 -9.641 -0.986) 10.219 12.062 ( -12.123 0.470 5.388) 13.275 12.358 ( -3.774 -6.464 -0.742) 7.522 13.179 ( 13.490 -0.016 6.616) 15.025 13.701 ( 14.564 -5.476 -18.951) 24.520 17.150 ( 0.510 -0.823 0.131) 0.977 18.586 ( 5.360 -1.516 -14.654) 15.677 19.193 ( 10.822 2.419 12.199) 16.486 19.620 ( 20.069 0.685 7.537) 21.448 20.325 ( -8.102 1.888 -18.875) 20.627 22.003 ( -19.056 -4.682 4.525) 20.138 23.768 ( 0.705 3.828 5.826) 7.006 24.050 ( 2.771 -3.380 1.069) 4.500 ======================= Grid point 349 (171/361) ======================= q-point: (-0.50 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( -7.684 14.065 7.008) 17.493 2.295 ( -7.594 19.940 6.971) 22.447 3.032 ( -8.257 -11.232 3.472) 14.366 3.341 ( -13.722 -13.380 2.437) 19.320 3.541 ( -0.085 3.151 3.585) 4.774 3.764 ( 4.355 -8.003 -0.930) 9.159 4.267 ( 0.154 15.600 11.972) 19.665 4.582 ( -5.602 -8.630 -4.079) 11.067 4.786 ( -12.294 -6.134 12.842) 18.807 5.071 ( -4.353 -13.963 10.547) 18.032 5.477 ( -3.044 1.734 8.792) 9.464 5.818 ( 1.813 3.117 2.463) 4.367 6.012 ( -20.258 -4.442 3.417) 21.019 6.396 ( -1.471 -5.021 -10.203) 11.466 6.971 ( -0.739 -1.981 -2.940) 3.621 7.388 ( -1.761 5.532 -0.230) 5.810 8.313 ( -5.184 -5.632 10.511) 13.003 8.838 ( -2.110 4.349 -2.752) 5.562 9.117 ( -7.735 -5.275 3.264) 9.915 9.537 ( 4.645 -0.827 9.262) 10.394 11.013 ( 3.939 22.094 -7.917) 23.797 11.370 ( -2.486 10.367 7.395) 12.975 11.569 ( -0.102 0.502 -7.888) 7.904 11.945 ( -12.947 3.101 10.328) 16.850 12.076 ( 8.106 -3.759 -2.265) 9.218 12.409 ( 0.369 -9.505 -0.611) 9.532 13.314 ( 4.720 3.537 -2.562) 6.430 13.749 ( 12.224 -11.904 -17.788) 24.648 17.283 ( 7.255 -4.100 9.601) 12.713 18.476 ( 3.616 -4.307 -18.147) 18.998 19.388 ( 9.491 8.163 3.247) 12.933 19.882 ( 0.373 -2.152 -8.051) 8.342 20.131 ( 14.580 5.234 3.893) 15.972 21.830 ( -21.466 -8.176 5.135) 23.538 23.758 ( -1.399 5.822 1.767) 6.243 24.109 ( -1.331 -4.987 -1.033) 5.264 ======================= Grid point 350 (172/361) ======================= q-point: (-0.40 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( -6.683 15.578 10.687) 20.038 2.133 ( -3.628 22.660 11.616) 25.721 3.030 ( -8.199 -9.985 -0.806) 12.945 3.337 ( -6.586 -11.778 4.800) 14.323 3.623 ( 2.703 -1.566 4.903) 5.814 3.891 ( 5.894 -10.220 -2.859) 12.139 4.253 ( -6.489 13.573 14.618) 20.976 4.627 ( -0.722 -13.928 1.177) 13.996 4.869 ( -11.412 -6.198 18.877) 22.912 5.192 ( -7.979 -8.055 6.300) 12.970 5.469 ( -8.459 0.868 9.836) 13.002 5.844 ( 1.060 -1.606 5.717) 6.032 6.005 ( -0.771 -4.391 4.173) 6.106 6.342 ( 0.994 -7.027 -6.647) 9.724 6.909 ( -2.383 -0.905 -5.816) 6.350 7.301 ( -2.496 6.079 -1.218) 6.683 8.421 ( -3.803 -8.526 7.645) 12.066 8.735 ( -4.478 8.065 3.317) 9.804 9.110 ( -6.069 -7.956 1.833) 10.173 9.680 ( 1.702 1.681 6.954) 7.354 10.708 ( 1.839 26.440 -10.695) 28.581 11.347 ( -5.447 7.977 8.484) 12.856 11.490 ( 3.949 -0.480 -8.677) 9.546 11.849 ( -9.618 5.209 4.810) 11.949 12.205 ( 7.833 -1.149 0.126) 7.917 12.511 ( 3.692 -5.868 2.633) 7.416 13.225 ( -1.837 5.652 -6.600) 8.881 13.791 ( 6.828 -14.324 -17.690) 23.764 17.620 ( 11.498 -7.949 13.505) 19.436 18.342 ( 0.472 -7.724 -17.227) 18.886 19.375 ( 6.099 8.337 -9.384) 13.956 19.736 ( -7.529 -4.786 -3.417) 9.554 20.469 ( 23.529 12.140 9.603) 28.164 21.702 ( -18.500 -11.155 6.604) 22.590 23.693 ( -1.706 4.384 -0.916) 4.793 24.047 ( -6.216 -1.566 -5.852) 8.679 ======================= Grid point 351 (173/361) ======================= q-point: (-0.30 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.988 ( 0.165 12.258 12.145) 17.257 2.108 ( 2.013 14.425 16.034) 21.662 2.994 ( -3.054 -8.246 -4.351) 9.811 3.425 ( -4.038 -11.280 2.120) 12.167 3.722 ( 0.840 -2.351 4.236) 4.917 4.035 ( 6.405 -13.783 -7.061) 16.758 4.246 ( -6.193 11.322 18.042) 22.182 4.750 ( -1.871 -10.187 1.938) 10.537 5.030 ( -4.109 -3.777 19.881) 20.650 5.205 ( -7.520 -3.454 10.132) 13.082 5.502 ( -4.012 2.697 10.060) 11.162 5.988 ( 0.992 -8.008 7.115) 10.758 6.091 ( -0.720 -4.337 5.884) 7.345 6.393 ( 2.146 -8.939 -0.711) 9.220 6.789 ( -3.588 -0.794 -8.562) 9.317 7.178 ( -4.981 6.480 -1.101) 8.248 8.536 ( -2.075 -9.521 4.904) 10.909 8.664 ( -6.432 7.966 9.248) 13.797 9.138 ( -2.819 -8.284 1.118) 8.821 9.709 ( -0.452 6.546 3.078) 7.248 10.395 ( 1.661 22.009 -8.705) 23.726 11.245 ( -8.769 9.675 3.895) 13.626 11.491 ( 7.961 -1.854 -7.597) 11.159 11.688 ( -5.701 8.806 -2.799) 10.857 12.300 ( 4.022 -0.689 1.153) 4.241 12.670 ( 5.544 -0.128 6.172) 8.298 13.063 ( -3.639 4.280 -4.081) 6.944 13.765 ( 2.233 -14.014 -17.744) 22.721 17.961 ( 10.491 -5.207 3.183) 12.137 18.254 ( -3.158 -10.961 -5.396) 12.619 19.270 ( 1.126 -2.551 -10.875) 11.227 19.673 ( -0.994 -0.470 -2.047) 2.323 20.710 ( 11.548 16.514 10.132) 22.555 21.698 ( -6.033 -11.966 4.711) 14.205 23.621 ( -1.940 1.927 -2.512) 3.713 23.843 ( -7.277 4.028 -8.744) 12.069 ======================= Grid point 352 (174/361) ======================= q-point: (-0.20 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.020 5.696 16.063) 17.044 2.340 ( 14.900 4.444 15.075) 21.657 3.003 ( 3.111 -6.983 -5.369) 9.341 3.442 ( -5.106 -11.257 -4.848) 13.277 3.781 ( -4.762 -4.425 4.843) 8.106 4.086 ( 2.268 -9.165 -12.055) 15.312 4.304 ( 0.188 8.050 12.262) 14.669 4.756 ( -2.791 1.043 -2.759) 4.061 5.232 ( 0.320 -3.707 9.441) 10.148 5.373 ( -5.637 1.183 24.594) 25.260 5.547 ( -0.143 5.189 16.060) 16.878 6.135 ( -3.331 -11.494 4.724) 12.866 6.222 ( -0.093 -7.488 7.510) 10.606 6.522 ( 0.694 -7.474 4.162) 8.583 6.631 ( -5.140 -3.414 -7.699) 9.866 7.048 ( -5.583 3.815 0.703) 6.799 8.614 ( -4.701 11.804 11.677) 17.257 8.654 ( -4.905 -13.464 3.593) 14.773 9.182 ( -2.037 -6.138 -0.561) 6.491 9.666 ( 1.560 8.614 2.012) 8.983 10.182 ( 3.200 14.618 -4.876) 15.739 11.031 ( -11.681 8.693 -1.887) 14.682 11.488 ( 4.383 9.163 -7.787) 12.798 11.573 ( 7.248 -0.044 -4.323) 8.439 12.366 ( 1.567 0.648 3.431) 3.827 12.710 ( -5.980 1.739 1.485) 6.402 13.033 ( 6.596 3.384 0.754) 7.452 13.696 ( -0.687 -12.482 -14.210) 18.926 18.043 ( 3.981 -4.805 -7.730) 9.934 18.326 ( -0.772 -5.499 4.186) 6.954 19.160 ( -6.595 -4.495 -8.678) 11.790 19.660 ( 1.329 0.845 -1.770) 2.369 20.773 ( -0.831 7.593 9.850) 12.465 21.834 ( 8.850 -4.654 0.077) 10.000 23.501 ( -5.963 4.563 -5.106) 9.080 23.666 ( 1.179 2.253 -5.467) 6.030 ======================= Grid point 353 (175/361) ======================= q-point: (-0.10 0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -1.251 -4.784 15.582) 16.348 2.727 ( 19.800 2.610 12.290) 23.450 3.074 ( 6.412 -5.520 -3.335) 9.094 3.392 ( -3.732 -10.327 -8.206) 13.708 3.773 ( -9.337 -4.888 2.491) 10.829 4.005 ( 1.574 -5.159 -14.734) 15.690 4.369 ( 2.502 6.285 5.507) 8.723 4.621 ( -2.755 7.812 -5.097) 9.726 5.312 ( -7.411 7.788 11.070) 15.431 5.409 ( -9.370 0.461 11.905) 15.157 5.849 ( 6.216 3.719 17.064) 18.537 6.196 ( -6.453 -1.845 2.414) 7.133 6.347 ( -2.831 -14.072 4.967) 15.189 6.495 ( 1.751 -3.877 -3.868) 5.749 6.708 ( -6.223 -1.640 15.444) 16.732 7.034 ( -2.310 -11.474 3.622) 12.252 8.543 ( -10.735 12.876 12.430) 20.870 8.765 ( -1.227 -11.387 2.977) 11.834 9.159 ( -2.585 -1.966 -2.533) 4.118 9.679 ( 4.131 4.733 2.758) 6.861 10.118 ( 5.755 9.043 0.243) 10.722 10.769 ( -9.437 1.677 -6.147) 11.387 11.420 ( 9.627 11.196 -2.702) 15.011 11.654 ( 10.676 -1.892 -6.327) 12.553 12.399 ( -0.440 5.157 4.096) 6.600 12.604 ( -9.757 -3.106 0.910) 10.280 13.083 ( 6.024 4.583 -4.396) 8.753 13.660 ( 0.497 -8.489 -6.341) 10.607 18.055 ( 1.263 -5.004 -3.263) 6.106 18.354 ( 0.191 -1.363 -4.966) 5.154 18.960 ( -8.544 3.275 -5.777) 10.822 19.593 ( -10.131 3.879 2.839) 11.214 20.864 ( 1.037 -10.046 4.151) 10.919 21.977 ( 14.135 6.975 -1.938) 15.881 23.337 ( -1.683 5.806 -3.411) 6.941 23.662 ( 4.258 -1.928 -3.239) 5.687 ======================= Grid point 358 (176/361) ======================= q-point: ( 0.40 -0.60 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( -4.963 0.000 4.961) 7.017 2.507 ( -1.819 0.000 6.492) 6.742 2.910 ( -9.793 0.000 5.135) 11.058 3.178 ( -16.758 0.000 2.140) 16.894 3.619 ( 4.682 -0.000 -1.911) 5.057 3.633 ( 0.935 -0.000 1.669) 1.913 4.460 ( -3.829 0.000 13.730) 14.254 4.493 ( -8.339 0.000 -5.445) 9.959 4.797 ( -2.039 0.000 8.225) 8.475 4.851 ( -10.812 0.000 17.528) 20.595 5.494 ( -2.914 0.000 8.951) 9.413 5.856 ( 5.515 -0.000 2.915) 6.238 5.962 ( -25.756 0.000 1.733) 25.814 6.349 ( -0.279 0.000 -11.347) 11.350 6.951 ( -0.532 0.000 -2.327) 2.387 7.444 ( -0.998 0.000 -0.948) 1.377 8.257 ( -7.534 0.000 11.993) 14.163 8.861 ( 0.561 -0.000 -4.767) 4.800 9.089 ( -9.274 0.000 5.053) 10.561 9.527 ( 4.909 -0.000 10.126) 11.253 11.202 ( 5.113 -0.000 -2.604) 5.738 11.542 ( 2.134 -0.000 -9.701) 9.933 11.551 ( -10.304 0.000 1.494) 10.412 11.981 ( -12.724 0.000 9.269) 15.742 11.999 ( 12.237 -0.000 -2.345) 12.459 12.315 ( 0.166 -0.000 3.566) 3.570 13.350 ( 3.526 -0.000 1.512) 3.836 13.633 ( 14.042 -0.000 -21.305) 25.516 17.248 ( 7.042 -0.000 8.182) 10.795 18.438 ( 3.828 -0.000 -19.329) 19.704 19.466 ( 8.959 -0.000 7.141) 11.457 19.858 ( -2.572 0.000 -11.815) 12.092 20.179 ( 18.769 -0.000 3.629) 19.116 21.758 ( -21.016 0.000 5.393) 21.697 23.822 ( -4.818 0.000 4.497) 6.591 24.052 ( 1.651 -0.000 -2.977) 3.404 ======================= Grid point 360 (177/361) ======================= q-point: (-0.50 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -5.412 9.477 6.751) 12.833 2.529 ( -0.120 20.005 9.662) 22.216 2.867 ( -7.902 -6.794 2.159) 10.643 3.047 ( -9.841 -17.548 1.256) 20.158 3.641 ( 4.375 2.721 0.255) 5.158 3.733 ( 4.422 -6.638 -2.991) 8.518 4.351 ( -16.356 -4.173 10.221) 19.733 4.586 ( 2.518 8.522 14.272) 16.813 4.822 ( -5.470 1.766 12.966) 14.183 5.015 ( -5.119 -11.017 11.237) 16.549 5.479 ( -12.849 0.209 11.534) 17.268 5.823 ( -2.444 -0.672 4.716) 5.354 5.960 ( 3.665 -1.012 2.425) 4.509 6.246 ( 1.799 -3.106 -9.100) 9.782 6.890 ( -1.982 -0.780 -5.789) 6.168 7.402 ( 0.110 3.892 -2.383) 4.565 8.291 ( -9.042 -4.585 10.121) 14.325 8.825 ( -0.113 1.872 -0.704) 2.003 9.033 ( -7.910 -1.233 5.213) 9.554 9.696 ( 1.912 0.339 9.793) 9.984 11.089 ( 2.791 13.833 -15.545) 20.995 11.433 ( -7.244 2.835 5.994) 9.821 11.477 ( 1.606 -1.384 -8.166) 8.437 11.924 ( -11.052 2.603 10.352) 15.365 12.142 ( 8.883 -4.374 -3.958) 10.664 12.446 ( 6.905 -1.413 8.833) 11.300 13.306 ( -4.884 3.291 -3.613) 6.909 13.588 ( 10.146 -7.319 -20.307) 23.851 17.526 ( 11.844 -2.677 13.401) 18.084 18.249 ( 1.519 -2.726 -19.599) 19.846 19.509 ( -4.721 6.491 -11.290) 13.852 19.645 ( -1.133 -5.242 -2.464) 5.902 20.627 ( 29.216 4.989 9.335) 31.075 21.568 ( -18.974 -3.947 6.792) 20.536 23.757 ( -6.550 2.338 0.948) 7.019 24.011 ( -1.564 -1.646 -6.226) 6.627 ======================= Grid point 361 (178/361) ======================= q-point: (-0.40 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.205 ( 1.035 10.629 7.246) 12.906 2.411 ( -4.352 19.546 9.176) 22.027 2.858 ( -2.082 -6.503 -1.477) 6.986 3.181 ( -2.000 -16.246 2.579) 16.570 3.682 ( -0.130 -1.769 1.283) 2.189 3.809 ( 5.860 -10.204 -6.782) 13.582 4.367 ( -12.416 -0.549 20.654) 24.105 4.684 ( 6.280 4.862 3.094) 8.523 4.960 ( -5.123 -3.688 19.280) 20.287 5.136 ( -4.324 -4.313 11.999) 13.464 5.526 ( -4.739 0.047 15.487) 16.196 5.885 ( -1.397 -3.394 4.843) 6.077 6.038 ( 1.245 -1.778 3.611) 4.214 6.251 ( 4.420 -6.291 -4.350) 8.834 6.770 ( -4.127 -1.113 -8.693) 9.687 7.316 ( -0.986 7.797 -2.425) 8.225 8.339 ( -9.066 -9.916 8.325) 15.806 8.802 ( -2.290 5.661 4.908) 7.834 9.029 ( -3.790 -4.150 3.736) 6.749 9.793 ( -0.705 3.078 7.562) 8.194 10.762 ( 0.959 17.701 -17.158) 24.670 11.351 ( -10.675 3.516 3.382) 11.737 11.458 ( 7.490 -2.051 -7.956) 11.118 11.853 ( -6.454 8.551 5.656) 12.114 12.227 ( 3.856 -6.443 -3.351) 8.222 12.700 ( 10.460 2.563 11.292) 15.604 13.124 ( -8.700 2.635 -3.982) 9.924 13.539 ( 4.606 -10.566 -18.626) 21.904 17.887 ( 12.119 -3.023 10.551) 16.350 18.098 ( 0.001 -6.437 -11.120) 12.849 19.229 ( -8.368 -1.676 -12.336) 15.000 19.665 ( 2.689 -0.329 -2.597) 3.753 20.999 ( 15.775 15.357 9.071) 23.811 21.509 ( -4.300 -10.050 5.071) 12.051 23.648 ( -5.983 1.147 -1.464) 6.266 23.883 ( -3.883 0.922 -8.995) 9.840 ======================= Grid point 362 (179/361) ======================= q-point: (-0.30 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -0.947 12.015 8.398) 14.689 2.415 ( 8.473 3.664 11.760) 14.950 2.899 ( 3.971 -4.449 -2.004) 6.291 3.262 ( -1.738 -8.867 -2.747) 9.444 3.679 ( -9.207 -6.154 3.209) 11.530 3.900 ( 7.979 -10.412 -11.473) 17.427 4.444 ( -2.403 5.853 11.657) 13.264 4.777 ( 6.491 0.724 -0.463) 6.548 5.140 ( -5.465 -5.250 15.975) 17.681 5.353 ( -2.300 -2.964 26.901) 27.162 5.651 ( 0.825 5.676 14.487) 15.581 5.939 ( -4.772 -7.984 2.797) 9.712 6.133 ( -1.226 -4.135 8.260) 9.318 6.363 ( 5.548 -8.578 -0.098) 10.216 6.593 ( -6.109 -1.486 -10.547) 12.279 7.186 ( -3.038 9.966 -1.013) 10.468 8.411 ( -9.121 -13.404 7.556) 17.887 8.779 ( -3.742 7.285 8.005) 11.452 9.077 ( -1.092 -5.309 1.836) 5.723 9.809 ( -0.754 6.722 4.850) 8.324 10.447 ( 1.761 13.940 -14.111) 19.913 11.149 ( -13.836 6.180 -1.438) 15.221 11.513 ( 10.355 -2.237 -7.201) 12.809 11.741 ( 0.335 13.241 0.234) 13.248 12.300 ( 1.243 -6.993 -0.113) 7.104 12.786 ( -7.689 5.810 1.846) 9.812 13.083 ( 7.039 1.942 5.472) 9.125 13.470 ( 0.845 -12.291 -14.816) 19.269 17.970 ( 2.296 -3.236 -6.570) 7.675 18.244 ( 5.134 -3.889 8.577) 10.726 19.037 ( -6.761 -7.488 -9.190) 13.647 19.671 ( 3.416 0.332 -3.312) 4.769 20.963 ( -9.121 12.175 4.660) 15.910 21.769 ( 19.509 -3.064 4.237) 20.198 23.538 ( -5.594 0.394 -3.057) 6.387 23.711 ( -1.789 2.271 -8.633) 9.104 ======================= Grid point 363 (180/361) ======================= q-point: (-0.20 0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.225 ( -8.183 0.649 10.724) 13.505 2.761 ( 20.765 0.980 10.714) 23.387 2.991 ( 5.870 -3.767 -0.564) 6.998 3.255 ( 0.288 -4.294 -5.602) 7.065 3.629 ( -13.321 -10.265 3.347) 17.147 3.914 ( 7.704 -5.168 -15.869) 18.382 4.473 ( 1.546 5.429 2.891) 6.342 4.772 ( 2.951 8.105 -4.481) 9.720 5.301 ( -5.568 -5.794 14.182) 16.300 5.524 ( -11.100 8.555 17.580) 22.482 5.917 ( 3.991 2.798 10.882) 11.924 5.985 ( -2.560 -15.898 13.078) 20.745 6.230 ( -3.949 -2.062 5.095) 6.768 6.426 ( -1.026 -3.667 -3.420) 5.118 6.559 ( 2.003 -11.563 6.569) 13.448 7.049 ( -3.226 8.875 0.178) 9.445 8.498 ( -10.103 -14.082 8.652) 19.371 8.758 ( -3.728 7.624 7.730) 11.479 9.107 ( -1.560 -3.510 -0.631) 3.892 9.795 ( 1.598 7.391 3.085) 8.167 10.258 ( 4.403 6.009 -9.035) 11.710 10.847 ( -14.928 7.928 -3.994) 17.368 11.597 ( 11.563 1.496 -5.399) 12.849 11.673 ( 7.271 10.224 -1.808) 12.676 12.374 ( -0.911 -6.560 1.609) 6.816 12.616 ( -10.797 3.032 1.056) 11.264 13.159 ( 2.658 3.188 -4.841) 6.376 13.503 ( 5.730 -8.290 -1.064) 10.133 17.985 ( 1.673 -2.918 -0.323) 3.379 18.336 ( -0.383 -0.701 -2.651) 2.769 18.942 ( -3.889 -4.574 -4.310) 7.391 19.656 ( -2.762 2.616 0.232) 3.811 20.780 ( -8.283 0.462 -1.912) 8.513 22.096 ( 21.217 6.322 4.140) 22.523 23.413 ( -2.985 2.610 -4.341) 5.879 23.627 ( 1.454 -1.764 -4.786) 5.304 ======================= Grid point 364 (181/361) ======================= q-point: (-0.10 -0.60 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -11.300 -9.564 10.055) 17.896 3.084 ( -0.395 -4.976 -0.142) 4.994 3.127 ( 12.291 -0.768 6.325) 13.844 3.253 ( 9.700 -0.817 -3.953) 10.506 3.591 ( -8.387 -6.437 3.458) 11.124 3.844 ( 6.700 -3.010 -17.051) 18.565 4.472 ( -0.383 2.474 2.289) 3.392 4.652 ( 3.651 12.177 -6.600) 14.324 5.355 ( -13.794 -1.130 6.388) 15.243 5.423 ( -11.279 12.343 12.661) 20.973 5.855 ( -9.211 -5.218 -3.692) 11.212 6.082 ( -6.557 -1.596 -2.872) 7.334 6.446 ( 3.373 -6.875 11.675) 13.963 6.551 ( 7.038 0.685 12.222) 14.120 6.783 ( -3.870 -11.049 16.213) 19.998 6.998 ( 1.946 0.042 2.645) 3.284 8.549 ( -12.992 -3.498 10.024) 16.778 8.733 ( -3.568 -0.066 4.813) 5.992 9.103 ( 0.251 -1.830 -0.764) 1.999 9.778 ( 0.205 6.744 -0.171) 6.749 10.259 ( 7.513 -3.783 -3.435) 9.086 10.566 ( -8.851 4.653 -2.095) 10.216 11.690 ( 12.815 7.287 0.970) 14.774 11.712 ( 10.664 2.362 -4.837) 11.945 12.413 ( -6.762 -7.344 2.724) 10.348 12.488 ( -4.241 4.982 1.433) 6.697 13.042 ( -3.917 0.420 -8.164) 9.065 13.670 ( 9.983 -0.377 1.678) 10.130 18.015 ( -2.251 -0.418 -2.538) 3.418 18.236 ( -0.936 -2.313 -7.528) 7.931 18.893 ( 0.096 4.013 -0.490) 4.044 19.520 ( -14.179 7.425 4.937) 16.750 20.732 ( 1.425 -13.860 -8.759) 16.457 22.323 ( 15.766 14.113 5.746) 21.926 23.337 ( 2.215 2.265 -3.272) 4.555 23.653 ( 3.085 -4.648 -1.505) 5.778 ======================= Grid point 370 (182/361) ======================= q-point: (-0.50 0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -2.033 -0.000 5.526) 5.888 2.675 ( -10.416 0.000 1.267) 10.493 2.826 ( -2.272 -0.000 -0.595) 2.349 2.916 ( 7.509 -0.000 9.477) 12.091 3.677 ( 9.902 -0.000 -9.778) 13.916 3.703 ( -6.228 0.000 3.232) 7.016 4.338 ( -9.548 -0.000 20.529) 22.641 4.769 ( 3.248 0.000 -1.650) 3.643 4.924 ( -5.909 -0.000 20.799) 21.622 5.082 ( -1.165 -0.000 14.669) 14.716 5.521 ( -6.047 -0.000 18.894) 19.838 5.860 ( -1.519 -0.000 4.333) 4.591 6.023 ( 1.792 -0.000 2.168) 2.813 6.193 ( 5.397 -0.000 -5.503) 7.708 6.759 ( -4.304 -0.000 -8.430) 9.465 7.396 ( 1.821 -0.000 -4.227) 4.602 8.240 ( -12.578 -0.000 10.887) 16.636 8.853 ( 1.480 -0.000 1.791) 2.323 8.991 ( -6.894 -0.000 5.867) 9.053 9.820 ( -0.769 -0.000 9.224) 9.256 10.936 ( 0.024 -0.000 -22.412) 22.412 11.389 ( -9.412 -0.000 4.778) 10.556 11.427 ( 6.684 -0.000 -8.789) 11.041 11.945 ( -9.219 -0.000 13.912) 16.689 12.144 ( 5.513 -0.000 -7.752) 9.512 12.728 ( 13.061 0.000 12.881) 18.344 13.151 ( -13.256 -0.000 -3.022) 13.596 13.436 ( 7.600 -0.000 -20.324) 21.699 17.859 ( 13.110 -0.000 14.408) 19.480 18.039 ( 0.655 -0.000 -14.773) 14.787 19.214 ( -12.018 -0.000 -12.588) 17.404 19.662 ( 4.192 -0.000 -3.091) 5.209 21.185 ( 30.903 -0.000 9.157) 32.231 21.374 ( -17.133 0.000 4.780) 17.787 23.659 ( -7.964 -0.000 -1.003) 8.027 23.889 ( -2.181 -0.000 -9.149) 9.406 ======================= Grid point 372 (183/361) ======================= q-point: (-0.40 0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.420 ( 7.739 4.436 6.968) 11.319 2.480 ( -10.861 4.887 3.956) 12.550 2.850 ( 5.712 -1.294 -1.231) 5.985 3.139 ( 6.681 -4.498 2.928) 8.569 3.597 ( -13.867 -2.413 2.165) 14.241 3.752 ( 12.115 -5.302 -9.350) 16.196 4.504 ( -0.595 1.479 15.271) 15.354 4.759 ( 5.795 -1.935 -6.324) 8.794 5.098 ( -5.948 0.192 18.995) 19.905 5.295 ( -1.920 -2.666 23.515) 23.744 5.725 ( 1.707 2.229 19.490) 19.691 5.864 ( -5.513 -1.297 3.630) 6.727 6.076 ( -1.012 -2.035 5.249) 5.720 6.254 ( 7.515 -3.289 -2.373) 8.540 6.574 ( -6.369 -0.558 -10.296) 12.120 7.340 ( 1.138 5.781 -4.423) 7.367 8.220 ( -14.532 -6.750 12.513) 20.330 8.881 ( -0.858 4.214 4.495) 6.221 8.996 ( -2.957 -3.645 3.968) 6.146 9.889 ( -1.768 2.313 7.126) 7.698 10.625 ( -1.341 5.365 -21.937) 22.624 11.262 ( -10.078 5.621 0.407) 11.547 11.461 ( 9.553 -3.174 -7.175) 12.362 11.950 ( -3.351 9.687 7.392) 12.638 12.157 ( 2.701 -8.159 -4.314) 9.616 12.886 ( -13.418 4.600 -0.839) 14.210 13.085 ( 11.059 -1.673 12.112) 16.486 13.306 ( 2.586 -4.981 -17.185) 18.078 17.932 ( 1.520 -1.087 -5.985) 6.270 18.193 ( 9.334 -1.684 11.379) 14.813 18.941 ( -8.568 -2.939 -10.172) 13.620 19.673 ( 4.218 0.037 -4.263) 5.997 21.140 ( -14.987 6.214 -0.362) 16.228 21.723 ( 27.918 -1.852 8.519) 29.248 23.537 ( -6.712 -0.181 -2.089) 7.032 23.737 ( -2.165 0.712 -10.014) 10.270 ======================= Grid point 373 (184/361) ======================= q-point: (-0.30 0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -15.950 2.829 5.922) 17.248 2.762 ( 18.707 -0.547 11.342) 21.883 2.943 ( 8.113 -1.477 -2.063) 8.501 3.248 ( 5.642 2.655 -1.361) 6.382 3.452 ( -13.916 -8.807 1.635) 16.550 3.829 ( 10.465 -4.000 -12.606) 16.865 4.569 ( 1.939 5.874 1.235) 6.307 4.835 ( 8.179 -2.917 -5.796) 10.440 5.204 ( -8.558 -2.746 15.286) 17.733 5.590 ( -6.945 -3.753 25.684) 26.870 5.794 ( -11.034 -0.439 3.742) 11.659 5.995 ( 8.465 3.851 17.191) 19.545 6.175 ( -2.236 -4.467 10.017) 11.194 6.376 ( 0.800 -2.486 -5.568) 6.150 6.394 ( 1.947 -5.837 -0.993) 6.233 7.230 ( -0.665 9.859 -2.493) 10.191 8.255 ( -15.037 -12.010 13.641) 23.589 8.872 ( -2.511 5.443 5.466) 8.112 9.041 ( -1.013 -3.935 1.392) 4.295 9.908 ( -0.410 4.765 4.283) 6.420 10.325 ( -1.584 1.986 -18.516) 18.690 11.030 ( -11.286 11.203 -1.129) 15.942 11.562 ( 11.822 -3.357 -6.263) 13.793 11.891 ( 3.901 11.871 0.048) 12.496 12.233 ( -1.258 -8.634 1.259) 8.815 12.661 ( -12.581 1.941 0.643) 12.746 13.156 ( -2.277 -3.486 -11.836) 12.547 13.415 ( 12.523 -1.207 9.475) 15.750 17.949 ( 2.390 -1.257 1.867) 3.283 18.328 ( -1.821 -0.210 -1.646) 2.463 18.845 ( 0.721 -5.072 -1.255) 5.275 19.680 ( 2.411 0.438 -2.525) 3.518 20.839 ( -13.758 4.457 -7.531) 16.305 22.189 ( 25.661 3.919 8.638) 27.358 23.432 ( -4.611 -0.113 -2.523) 5.257 23.605 ( -0.346 -0.687 -8.037) 8.074 ======================= Grid point 374 (185/361) ======================= q-point: (-0.20 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -18.297 -4.928 9.943) 21.399 2.968 ( -7.787 -6.313 -0.682) 10.047 3.128 ( 6.481 -0.155 5.843) 8.728 3.277 ( 16.909 1.634 -0.857) 17.009 3.492 ( 4.591 -2.767 4.317) 6.883 3.793 ( 5.194 -2.795 -16.481) 17.504 4.535 ( 0.252 4.950 -0.475) 4.979 4.829 ( 6.435 6.620 -8.349) 12.447 5.265 ( -11.007 -7.010 8.020) 15.318 5.626 ( -16.000 0.634 -0.088) 16.013 5.732 ( -7.879 0.857 16.577) 18.374 6.058 ( -6.899 0.144 -1.683) 7.103 6.363 ( 0.768 -4.439 10.379) 11.314 6.550 ( 12.450 -1.227 13.203) 18.189 6.567 ( 4.392 -9.701 10.409) 14.891 7.115 ( -0.558 9.814 1.222) 9.905 8.332 ( -14.845 -14.745 13.617) 24.964 8.838 ( -4.241 6.727 4.845) 9.312 9.066 ( 0.277 -2.469 -0.289) 2.501 9.897 ( 0.552 6.139 0.513) 6.185 10.131 ( -0.989 -6.987 -13.400) 15.144 10.767 ( -8.546 13.690 0.753) 16.156 11.672 ( 11.197 -2.392 -7.582) 13.733 11.889 ( 8.670 10.101 2.618) 13.566 12.277 ( -6.328 -7.473 2.735) 10.167 12.546 ( -4.073 1.767 1.888) 4.825 13.006 ( -6.007 -4.175 -9.003) 11.600 13.688 ( 13.034 2.047 6.783) 14.835 18.022 ( -0.468 1.118 1.290) 1.770 18.187 ( -4.119 -3.090 -7.924) 9.451 18.936 ( 4.685 1.228 3.239) 5.826 19.634 ( -7.673 4.652 2.286) 9.259 20.567 ( -4.159 -4.878 -14.277) 15.650 22.548 ( 19.801 11.160 9.040) 24.461 23.360 ( 0.168 0.267 -3.600) 3.613 23.567 ( 0.977 -4.684 -2.781) 5.534 ======================= Grid point 375 (186/361) ======================= q-point: (-0.10 -0.50 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( -18.425 -10.722 11.723) 24.329 2.830 ( -20.002 -13.587 -0.769) 24.193 3.223 ( 6.306 1.975 1.566) 6.791 3.488 ( 9.930 4.121 -0.725) 10.775 3.625 ( 1.633 2.024 -5.677) 6.244 3.731 ( 11.226 -4.146 -2.154) 12.160 4.484 ( -3.692 3.039 1.238) 4.940 4.747 ( 7.897 9.795 -7.877) 14.844 5.177 ( -14.028 -2.066 -0.080) 14.179 5.396 ( -14.110 1.668 1.933) 14.340 5.775 ( -7.383 6.629 12.431) 15.906 5.937 ( -7.454 -1.268 -2.410) 7.936 6.483 ( -1.081 -3.826 3.652) 5.399 6.736 ( 2.230 -8.854 4.494) 10.177 6.888 ( 6.470 2.885 8.543) 11.098 7.171 ( 3.846 2.157 15.281) 15.904 8.406 ( -14.052 -12.942 10.394) 21.749 8.751 ( -6.205 7.086 4.778) 10.562 9.106 ( 2.728 -2.391 0.025) 3.627 9.786 ( -4.486 6.455 -4.388) 9.003 10.129 ( 3.368 -14.674 -6.696) 16.478 10.630 ( -0.693 8.828 5.149) 10.244 11.725 ( 8.881 -2.272 -9.653) 13.312 12.011 ( 6.610 6.487 10.015) 13.641 12.283 ( -3.723 -5.755 2.024) 7.147 12.524 ( 1.001 3.765 0.289) 3.906 12.862 ( -7.463 -3.062 -4.184) 9.087 13.891 ( 13.922 5.727 1.231) 15.104 17.796 ( -9.166 0.517 -16.816) 19.159 18.269 ( 4.988 -1.709 8.294) 9.828 18.985 ( 3.681 7.639 0.905) 8.528 19.442 ( -14.911 7.409 4.415) 17.226 20.495 ( 5.066 -14.997 -16.080) 22.563 22.729 ( 8.193 17.110 9.001) 20.997 23.358 ( 6.660 -0.655 -4.777) 8.222 23.652 ( 3.059 -6.209 4.158) 8.074 ======================= Grid point 382 (187/361) ======================= q-point: (-0.40 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -20.164 0.000 4.381) 20.634 2.754 ( 17.157 -0.000 11.860) 20.857 2.934 ( 11.175 -0.000 -3.729) 11.781 3.300 ( 12.935 -0.000 1.049) 12.978 3.350 ( -18.852 0.000 -0.300) 18.854 3.791 ( 10.882 -0.000 -10.180) 14.902 4.671 ( 3.179 -0.000 5.123) 6.030 4.732 ( 6.188 -0.000 -7.032) 9.367 5.199 ( -6.472 0.000 10.785) 12.578 5.525 ( -6.728 0.000 21.807) 22.822 5.823 ( -10.664 0.000 12.814) 16.671 6.050 ( 9.459 -0.000 17.561) 19.947 6.107 ( -3.954 0.000 8.159) 9.067 6.330 ( 8.975 -0.000 -2.093) 9.216 6.367 ( -5.563 0.000 -6.993) 8.935 7.332 ( 2.401 -0.000 -5.693) 6.179 8.134 ( -19.156 0.000 17.770) 26.129 8.943 ( -0.836 0.000 3.198) 3.305 8.982 ( -1.947 0.000 3.388) 3.907 9.951 ( -1.024 0.000 4.956) 5.061 10.341 ( -4.051 0.000 -21.560) 21.937 11.154 ( -9.589 0.000 -1.328) 9.680 11.516 ( 11.800 -0.000 -5.702) 13.105 12.071 ( 8.568 -0.000 -11.708) 14.509 12.082 ( -6.592 0.000 13.413) 14.946 12.680 ( -14.377 0.000 0.775) 14.398 13.109 ( -1.654 0.000 -13.671) 13.770 13.415 ( 13.131 -0.000 12.272) 17.973 17.938 ( 2.683 -0.000 2.702) 3.808 18.327 ( -2.544 0.000 -1.453) 2.930 18.796 ( 2.711 -0.000 -0.083) 2.712 19.682 ( 3.693 -0.000 -3.490) 5.082 20.885 ( -14.984 0.000 -9.862) 17.939 22.225 ( 27.310 -0.000 10.509) 29.262 23.427 ( -5.646 0.000 -1.436) 5.826 23.600 ( -0.773 0.000 -9.627) 9.658 ======================= Grid point 383 (188/361) ======================= q-point: (-0.30 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -23.141 -1.253 10.273) 25.349 2.880 ( -16.437 -3.097 -3.154) 17.021 3.116 ( 6.210 -0.642 9.585) 11.439 3.297 ( 21.810 0.729 -0.087) 21.822 3.496 ( 15.132 1.363 -0.343) 15.197 3.754 ( 2.177 -1.279 -13.006) 13.249 4.654 ( 1.975 8.643 -1.281) 8.957 4.823 ( 7.087 -7.523 -5.791) 11.847 5.179 ( -10.364 -1.322 5.594) 11.851 5.510 ( -15.159 -4.881 2.021) 16.053 5.867 ( -7.900 5.506 13.803) 16.830 6.103 ( -6.518 5.429 4.700) 9.698 6.245 ( -4.616 -8.419 11.398) 14.903 6.444 ( 9.343 -3.142 -2.414) 10.149 6.552 ( 15.035 0.167 21.679) 26.383 7.274 ( 2.305 6.216 -4.355) 7.932 8.116 ( -21.235 -7.791 20.054) 30.229 8.934 ( -2.344 4.068 3.500) 5.856 9.018 ( 0.015 -2.789 1.171) 3.025 9.981 ( 0.427 3.247 -0.220) 3.282 10.043 ( -4.326 -3.137 -16.273) 17.128 10.969 ( -9.647 7.303 -0.783) 12.125 11.623 ( 11.130 -2.353 -6.584) 13.144 12.042 ( 6.887 6.900 -1.334) 9.840 12.162 ( -4.799 -5.532 5.198) 8.981 12.563 ( -5.670 0.397 3.745) 6.806 12.931 ( -5.626 -3.033 -9.986) 11.857 13.721 ( 13.198 1.221 9.434) 16.269 18.047 ( 2.413 1.352 6.472) 7.039 18.137 ( -7.787 -2.106 -11.491) 14.040 18.947 ( 7.724 0.167 7.146) 10.524 19.679 ( -1.826 0.930 -0.069) 2.050 20.533 ( -9.196 -0.154 -18.658) 20.801 22.696 ( 23.903 4.796 11.328) 26.883 23.352 ( -3.804 -0.741 -0.513) 3.909 23.505 ( 0.595 -1.929 -6.634) 6.935 ======================= Grid point 384 (189/361) ======================= q-point: (-0.20 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -23.218 -4.652 16.119) 28.646 2.592 ( -26.020 -11.698 -1.529) 28.570 3.281 ( 8.146 3.562 3.659) 9.614 3.569 ( -3.384 -0.208 -7.363) 8.106 3.592 ( 14.671 2.046 -7.610) 16.653 3.728 ( 16.492 0.923 4.682) 17.169 4.571 ( -2.943 6.713 -0.519) 7.348 4.865 ( 8.797 1.886 -9.550) 13.120 5.094 ( -13.665 -5.226 3.432) 15.028 5.355 ( -14.080 -4.056 2.610) 14.883 5.847 ( -4.912 -0.480 3.528) 6.067 6.019 ( -7.714 11.109 10.148) 16.908 6.391 ( -3.890 -7.265 8.784) 12.045 6.583 ( 8.597 -6.020 -2.011) 10.686 6.986 ( 11.414 4.965 14.719) 19.276 7.230 ( 3.653 4.541 4.114) 7.133 8.149 ( -20.571 -13.390 17.728) 30.278 8.890 ( -4.148 6.807 4.288) 9.051 9.060 ( 1.980 -2.643 0.004) 3.302 9.780 ( -5.237 -5.335 -13.893) 15.777 10.035 ( 3.700 1.852 -0.262) 4.147 10.784 ( -6.937 7.587 2.051) 10.483 11.681 ( 8.384 -2.514 -9.873) 13.194 12.107 ( -2.484 4.297 12.100) 13.078 12.203 ( 4.859 -3.054 -0.998) 5.825 12.573 ( 1.195 2.062 2.228) 3.263 12.781 ( -7.737 -5.254 -4.465) 10.363 13.977 ( 14.441 3.668 4.703) 15.624 17.802 ( -9.538 0.216 -17.481) 19.914 18.245 ( 4.749 -0.957 10.718) 11.762 19.102 ( 6.130 5.185 5.227) 9.580 19.557 ( -14.810 4.952 2.156) 15.764 20.283 ( 4.421 -8.586 -21.542) 23.608 23.007 ( 12.060 13.957 9.258) 20.639 23.338 ( 5.131 -1.782 -5.001) 7.384 23.534 ( 1.605 -6.758 5.388) 8.791 ======================= Grid point 385 (190/361) ======================= q-point: (-0.10 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -22.705 -7.377 16.478) 29.008 2.383 ( -24.169 -17.755 3.019) 30.141 3.214 ( -14.605 -4.763 -7.653) 17.163 3.512 ( 6.122 2.025 3.507) 7.340 3.677 ( 9.119 8.061 -2.826) 12.494 3.916 ( 4.274 3.356 1.862) 5.744 4.461 ( -6.438 4.164 2.564) 8.084 4.855 ( 10.668 5.901 -6.828) 13.973 4.988 ( -7.541 -2.819 -0.452) 8.063 5.292 ( -6.383 -0.552 6.446) 9.089 5.803 ( -6.472 -1.235 -0.373) 6.599 5.923 ( -7.367 14.401 9.003) 18.513 6.451 ( -2.726 -3.397 0.911) 4.450 6.736 ( 1.184 -7.451 6.037) 9.663 7.070 ( 6.371 7.067 -0.458) 9.526 7.401 ( 3.200 1.960 8.152) 8.974 8.190 ( -16.065 -15.530 9.845) 24.417 8.815 ( -5.145 9.046 7.498) 12.827 9.124 ( 3.311 -3.300 0.193) 4.679 9.663 ( -2.029 -6.454 -6.154) 9.145 10.057 ( 3.115 -0.419 -2.373) 3.938 10.725 ( -1.739 1.500 5.027) 5.527 11.683 ( 6.595 -3.088 -10.752) 12.986 12.112 ( -14.752 2.180 14.890) 21.073 12.331 ( 11.414 -0.041 -7.367) 13.586 12.588 ( 2.058 1.048 4.419) 4.986 12.745 ( -1.691 -3.617 2.322) 4.618 14.154 ( 15.583 7.821 -2.030) 17.553 17.467 ( -8.771 -0.190 -15.678) 17.966 18.462 ( 6.094 -0.735 11.544) 13.075 19.083 ( -3.869 10.098 -2.587) 11.119 19.359 ( -6.228 2.270 2.574) 7.111 20.256 ( 7.035 -12.997 -16.010) 21.788 23.009 ( -3.547 16.536 6.968) 18.292 23.383 ( 9.702 -2.659 -8.279) 13.029 23.787 ( 7.524 -3.406 14.634) 16.804 ======================= Grid point 393 (191/361) ======================= q-point: (-0.30 -0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.903 ( -24.958 0.000 18.703) 31.188 2.478 ( -28.705 0.000 -2.972) 28.859 3.319 ( 10.725 -0.000 5.363) 11.992 3.527 ( -6.482 0.000 -16.831) 18.036 3.675 ( 23.331 -0.000 2.142) 23.429 3.714 ( 11.210 -0.000 2.287) 11.441 4.676 ( -5.547 0.000 -2.907) 6.262 4.817 ( 8.659 -0.000 -3.939) 9.513 5.059 ( -10.968 0.000 1.761) 11.108 5.313 ( -12.764 0.000 4.406) 13.503 5.837 ( -5.761 0.000 -0.162) 5.763 6.194 ( -5.671 0.000 9.928) 11.434 6.255 ( -5.783 0.000 12.901) 14.138 6.532 ( 10.686 -0.000 -3.407) 11.216 7.029 ( 14.665 -0.000 19.587) 24.468 7.288 ( 4.655 -0.000 -6.077) 7.655 8.014 ( -26.029 0.000 23.683) 35.190 8.959 ( -2.928 0.000 3.884) 4.864 9.028 ( 1.585 -0.000 0.717) 1.740 9.723 ( -5.588 0.000 -16.969) 17.865 10.062 ( 4.152 -0.000 1.107) 4.297 10.859 ( -10.125 0.000 0.732) 10.152 11.654 ( 8.481 -0.000 -9.627) 12.830 12.149 ( -9.904 0.000 15.049) 18.015 12.176 ( 12.499 -0.000 -4.208) 13.189 12.596 ( 1.558 -0.000 4.766) 5.015 12.722 ( -8.117 0.000 -6.480) 10.386 14.011 ( 14.375 -0.000 5.961) 15.562 17.804 ( -9.661 0.000 -17.828) 20.277 18.237 ( 4.686 -0.000 11.710) 12.613 19.151 ( 6.972 -0.000 8.157) 10.731 19.602 ( -13.679 0.000 1.277) 13.738 20.205 ( 3.295 -0.000 -25.172) 25.386 23.168 ( 22.691 -0.000 6.148) 23.509 23.300 ( -4.704 0.000 2.558) 5.354 23.458 ( 1.212 -0.000 1.693) 2.081 ======================= Grid point 394 (192/361) ======================= q-point: (-0.20 -0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -24.851 0.884 23.370) 34.125 2.101 ( -28.913 -11.634 2.224) 31.245 3.159 ( -20.431 -1.498 -12.966) 24.244 3.527 ( 9.724 0.191 4.580) 10.750 3.829 ( 8.355 7.492 1.001) 11.267 3.943 ( 9.127 -1.080 -0.250) 9.194 4.528 ( -7.434 2.785 1.342) 8.051 4.895 ( 5.817 -2.114 -3.802) 7.264 4.953 ( -4.289 0.838 0.526) 4.402 5.281 ( -3.599 -0.342 7.253) 8.104 5.779 ( -4.859 -1.029 1.576) 5.211 6.155 ( -6.014 11.390 8.043) 15.185 6.344 ( -4.935 -8.261 5.096) 10.889 6.662 ( 11.325 -1.477 -1.543) 11.524 7.226 ( 4.929 9.507 -2.489) 10.994 7.385 ( 6.523 -4.361 5.267) 9.450 7.960 ( -23.891 -8.046 18.773) 31.432 8.949 ( -3.993 4.703 5.926) 8.554 9.073 ( 2.633 -1.908 0.612) 3.309 9.523 ( -1.820 -5.406 -10.196) 11.683 10.120 ( 5.023 3.292 -0.332) 6.015 10.745 ( -8.145 0.603 3.501) 8.886 11.639 ( 6.766 -1.500 -10.899) 12.916 12.190 ( -9.119 5.724 15.104) 18.549 12.310 ( 10.271 -2.765 -3.577) 11.222 12.566 ( -7.450 -2.571 0.808) 7.922 12.696 ( 3.719 -1.063 3.000) 4.895 14.250 ( 15.937 2.839 0.520) 16.196 17.464 ( -8.975 -0.115 -16.005) 18.350 18.453 ( 5.631 -0.234 12.205) 13.443 19.255 ( -7.433 8.579 -1.828) 11.498 19.359 ( -7.168 -2.799 1.296) 7.804 20.084 ( 10.496 -5.639 -17.752) 21.380 23.238 ( -4.364 7.985 5.195) 10.478 23.347 ( 10.691 -1.270 -10.526) 15.057 23.727 ( 10.123 -2.640 19.968) 22.543 ======================= Grid point 395 (193/361) ======================= q-point: (-0.10 -0.30 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -26.303 -4.516 13.925) 30.103 1.978 ( -25.135 -14.283 10.509) 30.761 2.755 ( -29.486 -10.224 2.056) 31.276 3.662 ( 3.989 2.643 1.180) 4.929 3.857 ( 1.592 5.362 4.165) 6.974 3.930 ( -2.161 5.948 -2.151) 6.684 4.502 ( -1.787 7.373 8.310) 11.252 4.906 ( 0.635 -5.089 -1.076) 5.240 4.991 ( 11.863 3.504 -3.875) 12.963 5.346 ( -0.320 1.409 7.805) 7.938 5.719 ( -5.622 1.102 -1.169) 5.847 6.021 ( -6.722 13.908 3.518) 15.842 6.377 ( -2.765 -4.925 -0.244) 5.653 6.806 ( 0.032 1.409 9.317) 9.423 7.187 ( 6.031 5.587 -3.409) 8.900 7.445 ( -1.897 0.878 -3.524) 4.098 7.927 ( -14.258 -15.908 3.703) 21.681 8.919 ( -4.256 6.378 7.312) 10.595 9.158 ( 3.088 -3.239 3.974) 5.986 9.530 ( 2.930 -10.747 -3.482) 11.671 10.118 ( 2.429 8.321 -0.695) 8.696 10.723 ( -4.869 -4.568 4.664) 8.144 11.617 ( 5.853 -1.950 -10.208) 11.928 12.120 ( -12.461 9.107 9.380) 18.061 12.296 ( -2.327 1.484 -5.575) 6.221 12.689 ( 5.907 -11.270 6.071) 14.098 12.775 ( 4.005 0.145 -0.176) 4.011 14.394 ( 15.962 7.456 -6.380) 18.737 17.248 ( -3.764 0.077 -1.929) 4.230 18.679 ( 6.142 -0.378 11.215) 12.792 18.921 ( -11.353 1.568 -11.366) 16.142 19.421 ( 3.509 2.172 3.308) 5.289 20.097 ( 6.193 -7.275 -11.240) 14.752 23.123 ( -8.770 14.117 6.016) 17.675 23.389 ( 9.332 -2.859 -8.103) 12.686 24.095 ( 9.557 0.807 15.099) 17.888 ======================= Grid point 404 (194/361) ======================= q-point: (-0.20 -0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -29.003 0.000 5.879) 29.593 1.817 ( -25.204 0.000 23.909) 34.740 2.667 ( -32.630 0.000 -0.299) 32.631 3.687 ( 5.853 -0.000 1.487) 6.039 3.888 ( -5.550 0.000 0.933) 5.628 4.006 ( 1.863 -0.000 0.619) 1.963 4.585 ( 6.224 -0.000 9.730) 11.551 4.837 ( -6.163 0.000 0.099) 6.164 5.025 ( 12.622 -0.000 -4.613) 13.439 5.359 ( 0.483 -0.000 7.635) 7.650 5.729 ( -4.800 0.000 -0.754) 4.859 6.233 ( -3.881 0.000 2.737) 4.749 6.236 ( -5.716 0.000 2.371) 6.188 6.843 ( 13.846 -0.000 3.063) 14.181 7.294 ( 7.214 -0.000 -7.657) 10.521 7.386 ( -7.907 0.000 3.711) 8.735 7.776 ( -19.093 0.000 3.768) 19.461 8.982 ( -5.422 0.000 6.802) 8.699 9.123 ( 3.263 -0.000 2.768) 4.279 9.427 ( 2.593 -0.000 -3.239) 4.150 10.210 ( 6.043 -0.000 -0.790) 6.095 10.674 ( -9.255 0.000 4.916) 10.480 11.599 ( 6.524 -0.000 -9.845) 11.810 12.274 ( 0.183 -0.000 -9.155) 9.157 12.317 ( -7.126 0.000 12.572) 14.451 12.500 ( -3.014 0.000 5.378) 6.165 12.784 ( 4.940 -0.000 0.528) 4.968 14.461 ( 16.226 -0.000 -5.417) 17.107 17.249 ( -3.419 0.000 -0.892) 3.534 18.675 ( 6.403 -0.000 10.841) 12.590 18.936 ( -15.374 0.000 -12.953) 20.103 19.443 ( 2.229 -0.000 4.756) 5.252 20.028 ( 8.870 -0.000 -11.604) 14.606 23.257 ( -6.730 0.000 6.376) 9.271 23.363 ( 9.598 -0.000 -8.803) 13.023 24.101 ( 10.986 -0.000 15.823) 19.262 ======================= Grid point 405 (195/361) ======================= q-point: (-0.10 -0.20 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -23.897 -5.373 14.986) 28.714 1.548 ( -35.342 -5.302 -1.850) 35.785 2.497 ( -27.239 -7.312 37.984) 47.310 3.676 ( -3.822 2.736 -2.674) 5.407 3.791 ( -7.141 -0.505 -0.948) 7.221 4.049 ( 2.482 4.068 5.082) 6.967 4.685 ( -0.873 10.665 0.754) 10.727 4.926 ( 10.752 -6.578 7.743) 14.792 5.135 ( 10.863 2.416 -3.988) 11.822 5.460 ( 1.974 0.649 7.920) 8.188 5.558 ( -8.804 -0.467 -11.651) 14.611 6.109 ( -2.802 12.927 2.630) 13.486 6.309 ( -1.176 -7.504 4.604) 8.882 6.979 ( -4.908 18.170 9.453) 21.062 7.262 ( 4.846 2.537 -2.240) 5.910 7.336 ( -4.146 -0.433 -5.719) 7.077 7.566 ( -11.625 -22.425 -7.190) 26.263 8.968 ( -5.164 3.452 6.042) 8.665 9.249 ( 4.584 -4.148 7.158) 9.458 9.469 ( 3.585 -5.612 -3.223) 7.398 10.230 ( 2.011 10.344 -0.405) 10.545 10.612 ( -10.532 -7.926 2.494) 13.415 11.584 ( 6.333 0.161 -8.000) 10.205 12.088 ( -8.714 9.220 -4.546) 13.476 12.235 ( -8.228 3.472 0.759) 8.963 12.626 ( 1.042 -15.718 -0.667) 15.766 12.833 ( 4.079 0.883 -1.198) 4.342 14.550 ( 14.095 4.337 -12.125) 19.092 17.442 ( 14.409 3.520 22.904) 27.287 18.614 ( -5.250 -4.355 -15.738) 17.153 18.894 ( 3.711 1.318 12.049) 12.676 19.495 ( 0.794 -0.539 1.435) 1.726 20.020 ( 5.520 -1.989 -8.825) 10.598 23.187 ( -9.147 11.297 6.926) 16.102 23.409 ( 9.081 -1.599 -6.551) 11.311 24.317 ( 3.612 0.709 0.527) 3.718 ======================= Grid point 415 (196/361) ======================= q-point: (-0.10 -0.10 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -26.656 0.000 11.525) 29.041 1.364 ( -15.562 0.000 23.536) 28.216 2.663 ( -23.787 0.000 48.777) 54.268 3.565 ( -7.453 0.000 -3.774) 8.354 3.726 ( 0.121 -0.000 1.226) 1.232 4.144 ( 1.180 -0.000 2.688) 2.936 4.670 ( -0.195 0.000 -3.492) 3.497 5.118 ( -0.521 0.000 -4.999) 5.026 5.213 ( 6.604 -0.000 -5.955) 8.892 5.287 ( -4.021 0.000 -3.006) 5.021 5.649 ( 9.914 -0.000 12.400) 15.876 6.161 ( 1.220 -0.000 -1.950) 2.300 6.374 ( -1.076 0.000 11.517) 11.567 6.937 ( -26.041 0.000 -16.464) 30.809 7.204 ( -15.134 0.000 11.167) 18.808 7.205 ( 3.460 -0.000 -8.929) 9.576 7.403 ( 8.954 -0.000 8.990) 12.688 9.003 ( -3.610 0.000 7.098) 7.963 9.389 ( 7.711 -0.000 5.690) 9.583 9.424 ( 0.651 -0.000 -5.803) 5.840 10.323 ( -22.182 0.000 -1.031) 22.206 10.334 ( 3.272 -0.000 -1.019) 3.427 11.591 ( 5.925 -0.000 -6.290) 8.641 11.962 ( -5.368 0.000 -8.868) 10.366 12.061 ( -12.679 0.000 0.976) 12.716 12.596 ( 2.134 -0.000 3.199) 3.845 12.866 ( 2.816 -0.000 -1.667) 3.273 14.558 ( 10.187 -0.000 -17.878) 20.577 18.179 ( 37.506 -0.000 27.211) 46.337 18.359 ( -0.426 0.000 -14.758) 14.764 19.080 ( -0.399 0.000 11.961) 11.968 19.456 ( -3.113 0.000 -3.355) 4.577 20.007 ( 8.056 -0.000 -7.053) 10.708 23.216 ( -7.957 0.000 7.235) 10.754 23.453 ( 8.352 -0.000 -5.349) 9.918 24.105 ( -19.130 0.000 -19.191) 27.097 ======================= Grid point 416 (197/361) ======================= q-point: ( 0.00 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 10.473 -0.000 15.295) 18.537 2.429 ( 1.441 -0.000 27.819) 27.856 3.137 ( -1.550 0.000 -7.610) 7.766 3.792 ( -4.476 0.000 17.268) 17.838 3.801 ( -0.545 0.000 -14.278) 14.289 4.013 ( 9.415 -0.000 -4.045) 10.247 4.521 ( -5.248 0.000 -6.303) 8.202 4.574 ( -2.052 0.000 -18.624) 18.737 5.342 ( 3.456 -0.000 11.055) 11.583 5.402 ( -9.674 0.000 12.511) 15.814 5.788 ( -14.028 0.000 16.260) 21.475 6.303 ( 2.296 -0.000 0.950) 2.485 6.390 ( 11.754 -0.000 -4.677) 12.650 6.655 ( -0.972 0.000 -11.428) 11.470 6.936 ( -12.205 0.000 16.779) 20.749 7.872 ( -10.974 0.000 32.959) 34.738 8.051 ( -1.172 0.000 8.822) 8.900 9.036 ( -1.838 0.000 -3.581) 4.025 9.071 ( 2.250 -0.000 -4.182) 4.749 9.700 ( -10.099 0.000 11.315) 15.167 10.129 ( -2.437 0.000 -9.981) 10.274 10.254 ( 9.704 -0.000 8.787) 13.091 11.232 ( 0.115 -0.000 -13.947) 13.948 11.583 ( 2.331 -0.000 -7.181) 7.550 12.255 ( -3.709 0.000 8.684) 9.443 12.751 ( 9.956 -0.000 -5.288) 11.273 12.832 ( -2.488 0.000 1.444) 2.877 13.885 ( 3.067 -0.000 -15.149) 15.456 17.996 ( 8.966 -0.000 -7.818) 11.896 18.723 ( -8.317 0.000 -15.149) 17.282 19.154 ( -18.342 0.000 7.414) 19.784 19.514 ( 14.498 -0.000 -0.392) 14.503 20.561 ( 24.940 -0.000 10.647) 27.118 22.400 ( -30.854 0.000 -15.307) 34.442 23.235 ( -6.572 0.000 2.831) 7.156 23.489 ( 8.593 -0.000 -4.850) 9.867 ======================= Grid point 417 (198/361) ======================= q-point: ( 0.10 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.330 ( 13.610 -0.145 11.358) 17.728 2.732 ( 2.557 2.157 16.203) 16.545 3.090 ( 4.427 2.787 1.171) 5.361 3.600 ( -2.047 5.061 -11.573) 12.796 3.815 ( -5.026 -2.204 -6.655) 8.626 4.051 ( 1.573 -0.619 -4.921) 5.203 4.313 ( -2.507 5.230 -4.402) 7.281 4.438 ( -2.935 -7.069 -7.053) 10.408 5.409 ( -11.115 -0.160 14.966) 18.642 5.523 ( -1.502 -2.840 11.244) 11.694 5.879 ( -2.342 -0.917 11.377) 11.652 6.270 ( -5.382 -0.423 -3.382) 6.371 6.428 ( 4.538 0.212 -4.684) 6.525 6.550 ( 3.149 2.246 -5.843) 7.007 7.013 ( -9.801 1.743 23.676) 25.684 7.834 ( -8.353 27.902 12.927) 31.865 8.305 ( -9.787 -24.080 17.262) 31.202 8.972 ( 0.082 2.096 -2.158) 3.009 9.105 ( 3.942 -2.354 -1.355) 4.787 9.734 ( -3.732 4.475 11.620) 12.999 9.950 ( -2.679 -1.104 -5.917) 6.588 10.586 ( 12.145 -7.917 8.224) 16.668 11.084 ( 3.215 -1.161 -13.764) 14.182 11.542 ( 7.953 2.715 -9.429) 12.630 12.300 ( -4.441 -4.333 5.099) 8.031 12.795 ( -0.464 2.140 0.839) 2.344 12.834 ( 4.571 -2.805 -3.730) 6.532 13.748 ( 1.364 2.676 -10.967) 11.371 18.043 ( 8.643 1.173 -4.224) 9.692 18.403 ( -8.826 1.721 -14.962) 17.457 19.009 ( -16.404 -2.556 6.282) 17.751 19.620 ( 1.889 0.039 -0.527) 1.962 21.044 ( 21.112 2.210 15.154) 26.081 21.838 ( -18.506 1.832 -16.386) 24.785 23.209 ( -3.210 -3.444 0.930) 4.799 23.559 ( 8.713 -0.123 -3.963) 9.573 ======================= Grid point 418 (199/361) ======================= q-point: ( 0.20 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 6.958 4.719 8.408) 11.890 2.843 ( 9.296 -1.381 -2.356) 9.689 3.220 ( 4.526 6.739 8.939) 12.075 3.415 ( -0.784 8.442 -2.727) 8.906 3.638 ( -3.284 -2.511 -10.826) 11.588 3.927 ( -5.117 1.606 -9.226) 10.672 4.243 ( -0.425 -5.562 -4.922) 7.440 4.479 ( 1.914 -3.512 4.484) 6.009 5.409 ( -17.939 -6.185 11.803) 22.347 5.592 ( -7.485 -0.604 7.546) 10.646 5.915 ( -2.071 -0.923 -1.963) 2.999 6.126 ( -7.887 -1.292 -4.254) 9.054 6.471 ( 4.712 -0.955 0.216) 4.813 6.548 ( 6.020 1.119 -2.881) 6.767 7.191 ( -6.451 4.478 28.756) 29.809 7.569 ( -8.542 25.548 4.462) 27.306 8.510 ( -13.646 -17.785 12.752) 25.791 8.950 ( 0.920 3.057 0.791) 3.289 9.154 ( 1.430 0.876 1.930) 2.556 9.681 ( -2.760 1.655 -4.897) 5.860 10.072 ( 3.916 -8.261 12.672) 15.626 10.742 ( 4.335 10.678 -2.745) 11.847 11.175 ( 16.608 -11.852 0.120) 20.404 11.533 ( 12.231 3.490 -11.145) 16.912 12.334 ( -4.081 -7.888 1.808) 9.064 12.748 ( -8.129 3.802 6.198) 10.907 12.875 ( 4.455 -4.814 -6.781) 9.434 13.626 ( 2.828 3.266 -9.079) 10.055 18.058 ( -4.017 2.172 -8.143) 9.336 18.168 ( 2.684 -1.993 -5.628) 6.546 18.893 ( -11.736 -1.497 4.326) 12.598 19.581 ( -8.694 -2.190 1.861) 9.156 21.162 ( -4.804 17.496 -6.190) 19.171 21.761 ( 14.807 -13.842 4.445) 20.751 23.224 ( 0.823 -2.630 -0.257) 2.768 23.634 ( 8.014 0.982 -2.276) 8.389 ======================= Grid point 419 (200/361) ======================= q-point: (-0.70 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -6.673 7.421 5.163) 11.237 2.982 ( 6.082 -2.762 -6.665) 9.437 3.245 ( 7.363 2.752 0.430) 7.872 3.365 ( -0.520 7.538 -0.425) 7.568 3.589 ( 0.002 0.867 3.382) 3.492 3.748 ( -0.155 2.485 -6.556) 7.013 4.295 ( 5.870 -9.943 -4.730) 12.477 4.582 ( -0.481 0.875 7.142) 7.211 5.279 ( -21.436 -9.213 1.770) 23.399 5.522 ( -12.962 -1.213 4.562) 13.795 5.836 ( -5.767 -0.740 -1.418) 5.985 5.995 ( -7.688 -2.738 -2.948) 8.677 6.516 ( 4.348 0.883 -3.378) 5.576 6.650 ( 7.949 -3.284 0.633) 8.624 7.303 ( -3.958 20.888 2.855) 21.451 7.402 ( -5.627 5.859 24.833) 26.128 8.561 ( -13.887 -12.167 7.403) 19.892 8.949 ( -1.668 3.825 3.955) 5.749 9.179 ( -0.800 3.350 4.965) 6.043 9.580 ( -4.935 -8.074 -7.109) 11.836 10.370 ( 7.753 -1.967 12.087) 14.494 10.620 ( 5.249 16.919 -3.671) 18.090 11.533 ( 13.978 0.417 -10.688) 17.601 11.600 ( 19.844 -7.834 3.932) 21.694 12.376 ( -1.823 -8.306 0.559) 8.522 12.652 ( -12.170 5.454 8.273) 15.694 12.864 ( -1.661 -4.921 -5.663) 7.684 13.580 ( 7.794 -1.900 -9.178) 12.190 17.788 ( -9.986 -0.948 -14.481) 17.616 18.281 ( 6.507 0.146 6.781) 9.399 18.828 ( -5.064 -2.702 1.518) 5.937 19.490 ( -13.662 -5.557 3.806) 15.232 20.808 ( -1.038 16.780 -16.287) 23.408 22.217 ( 13.183 -14.258 12.596) 23.146 23.265 ( 4.834 0.170 -1.597) 5.094 23.713 ( 6.784 1.944 1.039) 7.133 ======================= Grid point 420 (201/361) ======================= q-point: (-0.60 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -15.023 6.633 10.241) 19.354 2.885 ( -7.340 0.812 -7.657) 10.638 3.251 ( 4.018 2.727 -2.971) 5.693 3.409 ( 4.820 -2.708 1.939) 5.859 3.589 ( -1.337 6.114 2.960) 6.923 3.787 ( 8.552 -1.758 -0.505) 8.745 4.435 ( 6.796 -8.378 -2.370) 11.045 4.595 ( -4.240 4.623 5.979) 8.666 5.079 ( -15.609 -7.055 -1.985) 17.244 5.407 ( -11.226 -3.895 2.565) 12.156 5.768 ( -8.252 -6.324 1.747) 10.543 5.882 ( -8.222 -2.696 -1.817) 8.841 6.507 ( 2.239 1.460 -3.864) 4.699 6.799 ( 7.476 -4.568 -0.345) 8.768 7.153 ( 1.245 17.344 3.998) 17.842 7.502 ( -7.567 3.881 12.728) 15.308 8.549 ( -12.302 -8.408 6.050) 16.082 8.910 ( -6.628 5.215 6.184) 10.458 9.205 ( -1.093 1.663 6.204) 6.516 9.532 ( -3.630 -11.190 -4.863) 12.729 10.397 ( 6.671 24.378 -3.133) 25.467 10.695 ( 5.522 -1.146 10.301) 11.744 11.539 ( 12.408 2.967 -13.804) 18.797 11.986 ( 16.792 -6.594 0.811) 18.059 12.463 ( 2.436 -5.008 2.764) 6.216 12.522 ( -13.865 4.495 9.974) 17.661 12.802 ( -3.872 -3.386 -2.539) 5.736 13.656 ( 11.407 -9.895 -9.812) 18.009 17.491 ( -9.847 -0.064 -11.704) 15.296 18.478 ( 6.265 -0.074 10.591) 12.306 18.829 ( -0.187 -5.603 -2.474) 6.127 19.401 ( -12.271 -5.668 3.219) 13.895 20.482 ( 3.152 15.780 -16.164) 22.808 22.611 ( 3.097 -16.148 10.607) 19.567 23.309 ( 8.911 4.662 -3.720) 10.723 23.834 ( 6.579 0.771 7.031) 9.660 ======================= Grid point 421 (202/361) ======================= q-point: (-0.50 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( -20.270 7.046 13.001) 25.090 2.603 ( -18.330 6.631 -2.693) 19.678 3.357 ( 7.977 1.843 -0.180) 8.189 3.439 ( -0.164 -1.751 -0.961) 2.005 3.587 ( 0.572 1.078 7.203) 7.306 3.881 ( -0.002 -4.909 -0.890) 4.989 4.485 ( -9.269 -3.713 6.921) 12.149 4.645 ( 9.641 -3.304 -3.782) 10.871 4.963 ( -4.380 -2.411 0.198) 5.003 5.372 ( -3.597 -3.514 3.276) 6.001 5.743 ( -8.542 -9.090 -2.250) 12.675 5.787 ( -7.636 -5.403 2.200) 9.609 6.468 ( -1.045 1.577 -1.409) 2.359 6.914 ( 5.522 -4.828 -2.931) 7.899 7.118 ( 4.512 13.727 5.729) 15.544 7.422 ( -11.616 0.214 0.300) 11.622 8.477 ( -12.996 2.087 4.946) 14.061 8.871 ( -6.125 -1.408 6.673) 9.166 9.275 ( -0.634 0.517 9.209) 9.245 9.562 ( 0.189 -9.478 -2.079) 9.705 10.217 ( 3.922 23.218 -2.812) 23.714 10.867 ( 3.097 2.461 8.294) 9.189 11.495 ( 10.302 3.878 -14.703) 18.367 12.148 ( 5.534 -4.378 -6.118) 9.339 12.364 ( -15.535 3.329 8.832) 18.177 12.626 ( 3.949 -3.518 0.727) 5.339 12.823 ( 4.570 -0.281 3.997) 6.078 13.817 ( 12.924 -14.472 -10.191) 21.916 17.284 ( -5.905 -0.433 -2.928) 6.606 18.681 ( 3.651 -2.709 8.628) 9.752 18.818 ( 1.353 -2.143 -8.390) 8.765 19.350 ( -3.028 -2.512 1.764) 4.311 20.246 ( 2.883 11.795 -10.066) 15.772 22.825 ( -7.571 -18.132 6.040) 20.557 23.336 ( 10.939 8.114 -5.439) 14.666 24.052 ( 7.161 -1.866 11.362) 13.559 ======================= Grid point 422 (203/361) ======================= q-point: (-0.40 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -20.486 9.468 13.500) 26.298 2.200 ( -27.073 10.126 -0.038) 28.904 3.293 ( -6.488 14.303 15.225) 21.874 3.563 ( 1.716 -8.670 -1.683) 8.997 3.722 ( 3.832 -7.182 1.715) 8.319 3.879 ( -2.639 -3.507 1.128) 4.531 4.481 ( -11.910 -11.696 5.666) 17.628 4.754 ( 8.988 -4.728 -5.016) 11.327 5.018 ( 8.412 2.252 2.961) 9.198 5.430 ( 1.221 -2.441 3.195) 4.202 5.624 ( -6.784 -1.153 -4.889) 8.441 5.821 ( -5.553 -12.589 2.723) 14.027 6.437 ( -3.256 0.309 3.976) 5.148 6.943 ( -2.189 -5.405 -5.485) 8.006 7.162 ( 6.207 6.740 3.618) 9.851 7.236 ( -12.129 -2.813 -2.631) 12.726 8.294 ( -11.076 13.866 6.038) 18.745 8.902 ( -5.995 -6.457 5.176) 10.219 9.393 ( 0.759 0.562 10.401) 10.444 9.618 ( 3.658 -1.037 -3.211) 4.976 10.063 ( -0.539 10.780 0.049) 10.793 10.920 ( -0.473 7.471 4.601) 8.787 11.425 ( 9.117 2.724 -13.611) 16.607 12.106 ( -4.272 -0.085 -4.614) 6.288 12.270 ( -11.256 -2.222 8.073) 14.029 12.664 ( 2.259 -4.230 -5.887) 7.593 12.921 ( 6.159 7.357 1.458) 9.704 14.003 ( 13.415 -14.099 -11.731) 22.724 17.322 ( 3.107 -4.734 10.455) 11.890 18.647 ( -1.048 0.228 -15.950) 15.986 18.860 ( 4.441 0.566 6.066) 7.540 19.420 ( 7.168 -0.748 1.676) 7.400 20.101 ( -0.492 7.675 -3.841) 8.597 22.905 ( -13.045 -20.862 4.220) 24.964 23.344 ( 10.494 8.139 -5.821) 14.500 24.271 ( 3.666 -1.898 6.963) 8.095 ======================= Grid point 423 (204/361) ======================= q-point: (-0.30 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -27.102 13.429 6.441) 30.925 1.939 ( -16.583 10.661 18.135) 26.786 3.360 ( -5.715 7.809 25.327) 27.113 3.562 ( -7.406 -4.634 -0.957) 8.788 3.735 ( -7.810 -3.966 0.858) 8.801 3.963 ( 7.881 -3.960 -3.409) 9.456 4.496 ( -7.396 -15.327 -0.527) 17.027 4.872 ( 5.758 -7.059 -2.346) 9.406 5.179 ( 10.043 4.271 4.220) 11.700 5.392 ( -4.378 2.567 -5.725) 7.650 5.598 ( 6.721 1.105 4.048) 7.923 5.905 ( -1.684 -12.431 1.247) 12.606 6.504 ( -2.300 -3.920 11.996) 12.829 6.775 ( -18.406 -8.590 -8.628) 22.068 7.090 ( -1.375 -3.127 -9.278) 9.887 7.275 ( 0.868 -0.246 8.660) 8.707 8.109 ( -7.058 22.216 11.959) 26.199 8.940 ( -6.104 -8.360 5.112) 11.545 9.486 ( 0.784 3.889 0.824) 4.052 9.585 ( 4.767 9.037 -0.104) 10.218 10.024 ( -6.551 -6.786 2.007) 9.643 10.829 ( -3.234 13.247 0.274) 13.639 11.399 ( 8.798 -0.710 -9.900) 13.263 11.966 ( -7.796 0.930 -3.314) 8.522 12.242 ( -8.056 -1.072 5.370) 9.741 12.632 ( 1.947 -1.464 -7.052) 7.461 12.910 ( 2.894 8.508 0.104) 8.987 14.120 ( 11.565 -10.161 -16.534) 22.591 17.686 ( 12.438 -12.440 15.161) 23.223 18.460 ( 8.700 8.240 -13.126) 17.773 18.966 ( -1.173 -7.342 2.780) 7.938 19.567 ( 11.976 4.466 2.307) 12.988 19.976 ( -3.480 6.145 -2.997) 7.672 22.956 ( -15.759 -24.741 4.353) 29.655 23.350 ( 10.036 6.272 -6.075) 13.303 24.284 ( -5.533 3.272 -3.847) 7.492 ======================= Grid point 424 (205/361) ======================= q-point: (-0.20 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -10.082 9.937 19.328) 23.958 1.920 ( -10.308 7.306 24.039) 27.157 3.440 ( -10.579 -3.453 -3.257) 11.595 3.531 ( -13.618 2.740 29.122) 32.265 3.709 ( 5.768 -1.331 -2.188) 6.311 4.024 ( 5.866 -1.713 -6.988) 9.283 4.539 ( -2.513 -13.656 -2.368) 14.086 4.926 ( -0.806 -1.770 -3.220) 3.762 5.160 ( 1.620 4.967 -5.264) 7.416 5.380 ( -1.250 2.112 7.434) 7.828 5.827 ( 18.844 0.160 4.936) 19.481 6.020 ( -0.017 -10.847 1.929) 11.017 6.426 ( -21.760 -4.372 -9.390) 24.099 6.713 ( -2.613 -8.672 16.247) 18.601 6.975 ( -1.184 -1.111 -11.195) 11.312 7.386 ( -7.189 -7.869 12.022) 16.066 8.016 ( -3.219 23.961 18.812) 30.633 9.009 ( -3.204 -8.360 4.318) 9.940 9.344 ( -1.091 7.849 -9.124) 12.085 9.653 ( 4.652 6.757 7.461) 11.088 9.991 ( -13.412 -14.152 0.142) 19.498 10.630 ( -2.480 19.200 -1.889) 19.452 11.426 ( 7.187 -2.403 -8.300) 11.239 11.795 ( -7.632 0.370 -6.150) 9.809 12.196 ( -6.037 3.518 7.088) 9.953 12.622 ( 3.681 -0.911 -2.523) 4.555 12.878 ( 1.476 4.888 -0.525) 5.133 14.112 ( 8.825 -6.160 -19.947) 22.665 17.987 ( 6.164 -7.793 -7.370) 12.372 18.619 ( 27.539 3.357 7.624) 28.772 19.018 ( -7.263 -15.623 -1.172) 17.269 19.651 ( 0.037 16.657 4.736) 17.317 19.892 ( 9.800 0.091 -4.201) 10.663 22.998 ( -18.693 -28.068 2.234) 33.796 23.369 ( 9.766 3.800 -6.352) 12.254 23.955 ( -16.910 13.821 -10.760) 24.347 ======================= Grid point 425 (206/361) ======================= q-point: (-0.10 0.00 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 5.340 2.992 20.753) 21.637 2.101 ( -3.209 1.529 28.033) 28.257 3.278 ( -6.953 -2.367 -7.171) 10.265 3.636 ( -11.234 2.686 25.894) 28.353 3.850 ( 10.282 -6.089 -4.878) 12.906 3.984 ( 4.365 4.302 -8.361) 10.367 4.582 ( -1.616 -10.199 -5.261) 11.589 4.807 ( -0.433 5.286 -10.518) 11.780 5.184 ( 3.186 -0.810 5.172) 6.129 5.395 ( -6.757 3.088 9.979) 12.441 5.949 ( -24.102 -3.514 3.712) 24.638 6.174 ( 16.114 -4.235 0.988) 16.690 6.236 ( 7.308 0.945 -0.924) 7.427 6.817 ( -1.878 -1.020 -12.581) 12.761 6.894 ( -7.939 -3.196 14.920) 17.200 7.562 ( -11.139 -16.386 23.416) 30.674 8.021 ( -0.816 20.608 18.197) 27.504 9.066 ( -1.712 -4.611 -0.273) 4.926 9.163 ( -1.271 4.683 -7.608) 9.023 9.718 ( -4.165 5.838 9.689) 12.054 9.988 ( -5.106 -20.138 0.802) 20.791 10.396 ( -0.321 22.037 -3.245) 22.277 11.385 ( 1.643 -0.207 -11.930) 12.044 11.649 ( -2.857 -1.704 -5.744) 6.638 12.204 ( -3.738 3.045 9.965) 11.070 12.676 ( 7.117 -0.572 -2.773) 7.660 12.852 ( -0.119 1.878 -0.449) 1.935 14.017 ( 5.937 -2.922 -19.169) 20.279 17.986 ( 7.386 -1.504 -10.611) 13.016 18.919 ( 0.121 -4.101 -7.857) 8.864 19.151 ( 9.768 -13.715 6.076) 17.901 19.438 ( -7.258 16.204 1.635) 17.831 20.142 ( 22.609 1.088 4.423) 23.063 22.906 ( -27.722 -23.527 -9.320) 37.536 23.370 ( -1.177 8.003 -3.563) 8.839 23.486 ( -4.859 11.808 -4.326) 13.481 ======================= Grid point 427 (207/361) ======================= q-point: ( 0.10 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( 14.140 -0.000 8.898) 16.707 2.829 ( 3.893 -0.000 -5.656) 6.866 3.300 ( 3.416 -0.000 13.321) 13.752 3.498 ( -0.381 0.000 -1.930) 1.967 3.599 ( -4.634 0.000 -12.869) 13.678 3.935 ( -1.601 0.000 -12.294) 12.397 4.198 ( -4.727 0.000 -5.300) 7.102 4.435 ( 2.724 -0.000 5.959) 6.552 5.358 ( -19.661 0.000 12.476) 23.285 5.582 ( -6.469 0.000 7.380) 9.814 5.906 ( -1.285 0.000 -1.498) 1.974 6.113 ( -8.724 0.000 -4.410) 9.776 6.464 ( 5.136 -0.000 0.510) 5.161 6.555 ( 5.305 -0.000 -5.310) 7.505 7.234 ( -7.665 0.000 30.490) 31.438 7.890 ( -11.936 0.000 -3.462) 12.428 8.256 ( -11.297 0.000 21.407) 24.205 8.978 ( 2.433 -0.000 -1.882) 3.076 9.160 ( 3.031 -0.000 2.950) 4.230 9.716 ( -7.608 0.000 -12.050) 14.251 9.976 ( 4.954 -0.000 18.940) 19.578 10.919 ( 17.511 -0.000 12.990) 21.803 10.996 ( 9.120 -0.000 -12.581) 15.539 11.572 ( 11.789 -0.000 -10.949) 16.089 12.251 ( -4.855 0.000 1.955) 5.234 12.787 ( -8.314 0.000 6.589) 10.608 12.826 ( 5.774 -0.000 -8.256) 10.075 13.657 ( 1.700 -0.000 -9.949) 10.094 18.089 ( -9.282 0.000 -16.220) 18.688 18.140 ( 8.115 -0.000 0.239) 8.118 18.877 ( -13.136 0.000 6.953) 14.863 19.560 ( -10.477 0.000 1.818) 10.634 21.413 ( -8.494 0.000 -21.638) 23.245 21.548 ( 18.435 -0.000 18.450) 26.082 23.199 ( 1.568 -0.000 1.056) 1.890 23.642 ( 8.741 -0.000 -2.467) 9.082 ======================= Grid point 428 (208/361) ======================= q-point: ( 0.20 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.727 ( -0.066 6.462 -6.404) 9.098 2.910 ( 5.789 -4.755 0.714) 7.526 3.310 ( -1.430 3.491 0.346) 3.789 3.433 ( -1.682 0.319 -7.267) 7.466 3.644 ( 2.702 3.782 13.428) 14.210 3.765 ( 2.451 -0.019 -14.179) 14.390 4.160 ( 2.714 -4.372 -0.013) 5.146 4.557 ( 1.405 -2.510 6.615) 7.213 5.174 ( -22.901 -2.285 5.938) 23.769 5.501 ( -14.536 -0.934 3.271) 14.929 5.836 ( -3.831 0.303 -3.754) 5.372 5.952 ( -9.073 -1.614 -2.523) 9.554 6.543 ( 6.046 2.355 -2.992) 7.145 6.594 ( 7.314 -3.191 -1.759) 8.172 7.468 ( -9.426 2.331 28.016) 29.651 7.630 ( -9.130 12.490 -1.227) 15.520 8.352 ( -12.483 -9.197 13.034) 20.256 8.989 ( 2.672 0.956 -1.124) 3.052 9.232 ( -0.138 2.082 6.113) 6.460 9.472 ( -8.069 -3.550 -11.301) 14.333 10.313 ( 8.833 -2.095 17.654) 19.851 10.955 ( 13.815 16.149 -6.626) 22.261 11.386 ( 18.445 -10.607 9.875) 23.458 11.600 ( 13.247 1.836 -11.618) 17.715 12.242 ( -1.749 -5.254 1.392) 5.710 12.722 ( -11.994 2.214 7.604) 14.373 12.788 ( 0.145 -2.768 -7.182) 7.698 13.566 ( 4.340 -0.156 -11.784) 12.559 17.776 ( -9.636 -0.393 -14.523) 17.433 18.283 ( 7.651 0.062 5.576) 9.467 18.799 ( -8.249 -0.742 4.106) 9.244 19.417 ( -14.783 -2.341 3.544) 15.381 21.047 ( -0.213 8.466 -22.431) 23.977 22.012 ( 10.971 -7.323 17.567) 21.968 23.266 ( 5.913 -0.018 1.253) 6.044 23.736 ( 7.691 0.666 -0.510) 7.737 ======================= Grid point 429 (209/361) ======================= q-point: (-0.70 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( -6.279 3.992 -3.172) 8.088 2.894 ( -5.517 0.771 -3.962) 6.836 3.296 ( -1.238 1.614 -3.977) 4.466 3.359 ( -1.264 -2.322 2.805) 3.854 3.693 ( 5.034 2.801 -2.090) 6.128 3.765 ( 3.785 1.342 1.274) 4.213 4.320 ( 7.976 -4.009 4.274) 9.897 4.646 ( -2.624 -1.528 4.888) 5.754 4.962 ( -17.025 -2.609 3.741) 17.625 5.321 ( -16.514 -5.236 1.260) 17.370 5.719 ( -7.524 -0.463 -1.943) 7.784 5.832 ( -7.967 -2.507 -1.191) 8.437 6.538 ( 4.517 2.034 -6.008) 7.788 6.726 ( 7.099 -3.761 0.011) 8.033 7.430 ( -2.815 12.894 1.356) 13.267 7.562 ( -15.436 2.625 18.254) 24.049 8.391 ( -11.350 -8.068 9.616) 16.923 8.997 ( 0.607 3.551 -0.149) 3.605 9.220 ( -4.445 -0.464 0.310) 4.480 9.360 ( -3.730 -6.615 -0.535) 7.612 10.629 ( 7.952 0.997 12.933) 15.215 10.903 ( 13.012 23.456 -3.503) 27.051 11.584 ( 11.798 2.188 -12.371) 17.234 11.840 ( 15.295 -10.415 2.918) 18.733 12.359 ( 7.084 -5.408 5.358) 10.399 12.601 ( -15.776 3.402 8.872) 18.417 12.717 ( -4.130 -5.091 -4.760) 8.101 13.521 ( 8.507 -5.118 -13.841) 17.034 17.489 ( -9.671 -0.118 -11.022) 14.664 18.473 ( 6.944 -0.365 7.759) 10.419 18.768 ( -2.306 -1.671 1.911) 3.430 19.311 ( -10.414 -4.076 3.981) 11.871 20.720 ( 1.976 10.333 -20.861) 23.363 22.365 ( 1.164 -10.793 13.106) 17.017 23.382 ( 9.490 3.217 1.886) 10.197 23.839 ( 6.387 -0.061 2.847) 6.993 ======================= Grid point 430 (210/361) ======================= q-point: (-0.60 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.412 ( -12.370 4.087 3.747) 13.555 2.704 ( -12.822 5.396 -1.880) 14.038 3.261 ( 5.561 -4.651 -5.408) 9.045 3.425 ( -1.082 -4.802 3.370) 5.966 3.704 ( -1.453 5.244 4.260) 6.911 3.802 ( 0.867 -0.960 -0.065) 1.295 4.439 ( -7.356 -0.501 4.757) 8.775 4.625 ( 0.197 0.755 0.688) 1.041 4.899 ( -2.867 -4.339 4.523) 6.892 5.246 ( -7.277 -10.251 2.882) 12.897 5.606 ( -9.121 -3.928 -0.437) 9.940 5.748 ( -5.861 -1.334 0.753) 6.058 6.495 ( 0.481 1.516 -4.107) 4.405 6.835 ( 5.017 -4.188 -2.474) 6.988 7.340 ( 1.453 10.758 1.198) 10.922 7.431 ( -21.905 1.060 7.864) 23.298 8.424 ( -8.480 -5.546 8.451) 13.194 8.918 ( -3.906 4.280 -0.470) 5.813 9.250 ( 1.121 -4.708 3.873) 6.199 9.392 ( -3.707 -6.022 4.117) 8.182 10.679 ( 6.509 24.461 -2.841) 25.471 10.943 ( 8.391 8.088 9.044) 14.752 11.557 ( 9.934 2.911 -13.726) 17.192 12.043 ( 6.127 -7.840 -5.659) 11.447 12.432 ( -15.552 3.617 7.195) 17.513 12.562 ( 0.809 -3.349 0.063) 3.446 12.769 ( 8.244 -5.227 7.945) 12.586 13.571 ( 11.560 -12.250 -13.802) 21.776 17.276 ( -7.084 -0.421 -4.126) 8.209 18.595 ( 1.137 -4.997 -2.771) 5.826 18.845 ( 6.435 2.989 7.157) 10.078 19.305 ( -0.831 -2.502 3.439) 4.333 20.430 ( 0.417 8.710 -16.042) 18.259 22.536 ( -8.469 -13.762 6.651) 17.474 23.484 ( 9.785 8.291 0.192) 12.827 24.003 ( 5.722 -3.578 7.882) 10.376 ======================= Grid point 431 (211/361) ======================= q-point: (-0.50 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -15.225 6.531 8.475) 18.608 2.401 ( -20.580 12.132 3.201) 24.104 3.364 ( 1.397 -10.774 -1.586) 10.980 3.486 ( 6.349 0.292 -1.381) 6.504 3.671 ( -8.343 0.661 7.458) 11.210 3.838 ( 1.848 2.401 5.437) 6.224 4.294 ( -18.267 -7.613 2.510) 19.948 4.685 ( 4.902 -2.683 -1.991) 5.932 5.030 ( 6.346 -1.882 6.768) 9.467 5.322 ( -1.825 -10.059 2.957) 10.643 5.537 ( -7.664 -5.640 1.889) 9.701 5.719 ( -1.843 -0.373 2.008) 2.750 6.439 ( -3.990 -0.001 0.675) 4.047 6.844 ( -4.016 -5.653 -7.117) 9.937 7.164 ( -13.637 -2.565 -4.473) 14.580 7.318 ( -3.425 7.977 7.396) 11.405 8.436 ( -5.224 1.892 6.744) 8.738 8.851 ( -4.673 0.912 2.705) 5.475 9.383 ( 2.998 -2.729 7.148) 8.217 9.460 ( -3.334 -9.781 3.482) 10.905 10.460 ( 3.691 28.253 -4.480) 28.843 11.066 ( 4.886 8.826 7.048) 12.306 11.483 ( 8.037 3.527 -14.219) 16.709 12.068 ( 0.670 -4.336 -5.914) 7.364 12.278 ( -15.651 2.531 9.489) 18.477 12.568 ( 0.466 -6.481 -5.149) 8.291 13.009 ( 9.850 2.869 3.408) 10.811 13.724 ( 12.905 -16.759 -11.596) 24.122 17.245 ( -0.702 -3.797 6.307) 7.395 18.560 ( 0.128 -6.945 -11.735) 13.637 18.974 ( 7.213 9.130 4.490) 12.472 19.420 ( 10.297 0.420 3.452) 10.868 20.209 ( -2.919 4.491 -8.228) 9.818 22.563 ( -14.740 -17.037 3.443) 22.790 23.509 ( 8.113 10.338 -2.301) 13.341 24.207 ( 2.654 -5.237 7.616) 9.616 ======================= Grid point 432 (212/361) ======================= q-point: (-0.40 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( -20.215 17.426 7.056) 27.606 2.117 ( -16.518 9.692 16.144) 25.048 3.408 ( -4.159 -7.139 0.621) 8.286 3.550 ( -1.354 4.391 6.916) 8.303 3.653 ( -6.639 -4.333 4.460) 9.096 3.934 ( 5.207 2.890 5.052) 7.809 4.205 ( -9.176 -16.539 -2.547) 19.084 4.756 ( 3.248 -5.721 -0.755) 6.621 5.233 ( 6.655 0.026 9.780) 11.830 5.356 ( -5.174 -6.395 -3.914) 9.109 5.585 ( 1.484 -3.291 7.944) 8.726 5.749 ( 0.783 -2.748 1.924) 3.445 6.422 ( -8.919 -4.527 8.557) 13.163 6.638 ( -15.571 -8.035 -10.264) 20.307 7.030 ( -2.763 -3.166 -6.282) 7.558 7.302 ( -3.139 3.073 5.727) 7.217 8.419 ( -2.201 11.326 9.084) 14.685 8.825 ( -6.991 -3.303 5.264) 9.354 9.524 ( -3.308 -11.922 0.335) 12.377 9.528 ( 2.531 0.740 4.685) 5.376 10.208 ( 0.306 24.089 -2.436) 24.214 11.079 ( 3.179 14.349 2.846) 14.970 11.402 ( 7.144 1.168 -12.295) 14.268 11.992 ( -5.377 1.028 -3.817) 6.674 12.218 ( -8.613 -1.073 9.274) 12.702 12.568 ( 2.056 -5.368 -6.491) 8.670 13.060 ( 4.266 7.449 -1.824) 8.776 13.892 ( 10.818 -15.150 -13.354) 22.910 17.482 ( 7.237 -10.301 13.748) 18.641 18.478 ( 4.636 -5.934 -14.827) 16.629 18.984 ( 4.091 9.450 -0.744) 10.324 19.642 ( 17.611 3.873 3.260) 18.325 20.059 ( -6.298 2.797 -2.195) 7.233 22.539 ( -18.531 -21.265 3.608) 28.437 23.489 ( 7.357 9.284 -3.925) 12.479 24.290 ( -4.331 -2.476 0.549) 5.019 ======================= Grid point 433 (213/361) ======================= q-point: (-0.30 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -10.765 17.905 15.859) 26.229 2.059 ( -13.134 7.788 21.499) 26.369 3.355 ( -9.691 -6.238 -4.015) 12.204 3.583 ( -8.135 1.784 16.666) 18.631 3.677 ( 2.778 -2.227 -0.483) 3.593 4.027 ( 4.607 3.916 3.844) 7.165 4.256 ( -0.267 -17.813 -5.119) 18.536 4.852 ( 2.088 -5.934 0.436) 6.306 5.238 ( -3.613 1.781 -5.589) 6.889 5.412 ( 0.195 1.302 11.069) 11.147 5.773 ( -0.125 -8.486 9.113) 12.453 5.847 ( 6.565 -4.578 3.162) 8.606 6.319 ( -17.007 -6.934 -4.433) 18.894 6.569 ( -2.745 -8.011 10.845) 13.760 6.936 ( -2.547 -2.721 -8.724) 9.487 7.303 ( -6.031 -2.055 5.379) 8.338 8.397 ( -2.507 17.542 14.585) 22.951 8.859 ( -5.431 -7.427 7.019) 11.572 9.468 ( -3.328 0.930 -7.482) 8.241 9.617 ( -0.982 -5.771 2.300) 6.290 10.013 ( -2.647 16.166 2.270) 16.538 10.975 ( 2.968 19.668 -1.617) 19.956 11.381 ( 6.739 -2.269 -8.965) 11.443 11.824 ( -7.927 2.596 -5.837) 10.181 12.239 ( -4.450 1.149 8.743) 9.878 12.584 ( 3.930 -3.360 -3.400) 6.188 12.997 ( 0.666 7.740 -1.834) 7.982 13.954 ( 7.456 -11.514 -16.990) 21.836 17.824 ( 8.055 -10.012 3.407) 13.294 18.531 ( 10.219 -13.640 -4.573) 17.646 18.938 ( 4.854 7.028 -3.201) 9.122 19.885 ( 3.006 -1.140 -3.480) 4.737 19.918 ( 8.828 13.446 5.842) 17.113 22.515 ( -21.290 -25.115 3.797) 33.143 23.464 ( 7.364 6.859 -5.158) 11.308 24.121 ( -12.602 4.957 -6.991) 15.240 ======================= Grid point 434 (214/361) ======================= q-point: (-0.20 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 2.905 9.480 18.079) 20.619 2.143 ( -8.065 3.011 26.237) 27.613 3.210 ( -7.934 -4.978 -6.341) 11.311 3.675 ( -3.820 -2.247 10.810) 11.683 3.751 ( 4.427 -1.894 0.799) 4.881 4.073 ( 3.954 6.457 1.286) 7.680 4.345 ( 1.640 -15.701 -8.251) 17.813 4.864 ( -1.598 0.047 -5.844) 6.059 5.179 ( 1.195 0.628 3.294) 3.560 5.474 ( -5.134 5.104 11.273) 13.397 5.815 ( -20.567 -10.448 10.110) 25.187 6.114 ( 16.000 -4.002 3.034) 16.769 6.212 ( 2.798 -2.193 -0.680) 3.620 6.764 ( -6.946 -8.490 6.878) 12.947 6.803 ( -1.847 -3.364 -2.363) 4.507 7.320 ( -10.131 -9.377 10.488) 17.337 8.394 ( -3.421 19.126 18.714) 26.977 8.945 ( -3.902 -7.876 4.903) 10.065 9.290 ( -1.066 7.466 -8.161) 11.112 9.676 ( -5.572 -13.130 1.389) 14.331 9.892 ( -1.255 13.055 4.308) 13.804 10.794 ( 2.591 22.459 -3.322) 22.851 11.372 ( 4.515 -1.437 -11.118) 12.085 11.622 ( -6.517 -0.355 -6.683) 9.341 12.279 ( -2.511 4.253 9.700) 10.885 12.654 ( 6.579 -1.781 -1.491) 6.977 12.917 ( -0.826 5.298 -1.357) 5.531 13.916 ( 4.798 -8.388 -17.504) 19.995 17.938 ( 7.647 -3.642 -7.933) 11.605 18.710 ( -8.513 -17.354 -2.122) 19.445 19.047 ( 20.982 0.172 0.130) 20.983 19.670 ( -9.732 8.674 -3.281) 13.442 20.205 ( 22.306 7.205 7.439) 24.593 22.455 ( -24.130 -24.993 -0.230) 34.742 23.452 ( 7.085 4.401 -5.762) 10.137 23.742 ( -14.999 12.322 -7.545) 20.826 ======================= Grid point 435 (215/361) ======================= q-point: (-0.10 0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 9.337 2.942 14.515) 17.508 2.409 ( -0.406 -1.889 27.361) 27.429 3.097 ( -1.822 -4.076 -7.341) 8.592 3.698 ( -0.784 -8.335 -10.007) 13.047 3.854 ( -1.774 4.076 12.264) 13.045 4.065 ( 5.695 4.620 -4.686) 8.702 4.355 ( -0.945 -11.294 -10.276) 15.298 4.684 ( -4.431 5.278 -11.771) 13.639 5.301 ( 0.839 -1.644 10.934) 11.089 5.483 ( -6.458 6.214 12.673) 15.522 5.779 ( -12.420 -1.131 17.886) 21.805 6.290 ( 3.506 -1.220 1.530) 4.015 6.367 ( 11.418 -3.420 -2.957) 12.280 6.616 ( -3.268 -3.441 -10.633) 11.644 6.917 ( -10.011 -2.621 15.358) 18.519 7.508 ( -8.407 -23.128 18.277) 30.653 8.391 ( -5.197 20.538 18.860) 28.364 8.979 ( -2.742 -5.207 -0.528) 5.908 9.151 ( 1.281 7.284 -4.543) 8.679 9.688 ( -9.716 -5.394 5.975) 12.617 9.918 ( 4.764 -3.525 1.789) 6.191 10.597 ( 3.508 22.763 -1.116) 23.058 11.241 ( 0.238 1.115 -13.948) 13.995 11.538 ( 1.920 -4.316 -7.226) 8.633 12.312 ( -2.837 5.468 8.649) 10.618 12.742 ( 7.100 -0.885 -2.319) 7.521 12.857 ( -0.566 2.877 -0.832) 3.048 13.835 ( 2.648 -5.634 -14.586) 15.859 17.979 ( 8.673 -1.880 -7.366) 11.533 18.624 ( -9.511 -8.907 -8.485) 15.550 19.200 ( -8.582 2.361 1.500) 9.026 19.536 ( 8.754 2.560 -2.085) 9.355 20.582 ( 22.435 2.912 11.663) 25.453 22.237 ( -25.465 -15.203 -9.294) 31.080 23.349 ( -7.398 9.717 -2.291) 12.426 23.512 ( 5.856 2.687 -4.796) 8.032 ======================= Grid point 438 (216/361) ======================= q-point: ( 0.20 -0.80 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.608 ( -1.553 0.000 -12.693) 12.788 2.903 ( -6.208 0.000 1.770) 6.455 3.307 ( -3.645 0.000 4.133) 5.511 3.340 ( -4.467 0.000 -4.347) 6.233 3.690 ( 10.607 -0.000 -13.277) 16.994 3.807 ( -1.311 0.000 8.793) 8.891 4.293 ( 9.036 -0.000 9.289) 12.959 4.592 ( -2.633 0.000 2.172) 3.413 4.973 ( -14.173 0.000 8.162) 16.355 5.260 ( -20.978 0.000 -0.522) 20.985 5.720 ( -6.659 0.000 -3.882) 7.708 5.807 ( -7.989 0.000 -0.007) 7.989 6.564 ( 6.139 -0.000 -8.685) 10.636 6.684 ( 6.083 -0.000 1.917) 6.378 7.558 ( -5.411 0.000 -0.773) 5.465 7.584 ( -17.808 0.000 19.814) 26.641 8.310 ( -10.760 0.000 12.844) 16.756 9.026 ( 4.319 -0.000 -1.943) 4.736 9.203 ( -6.898 0.000 -10.379) 12.463 9.313 ( -3.171 0.000 8.447) 9.023 10.633 ( 8.870 -0.000 15.297) 17.683 11.177 ( 18.808 -0.000 -8.237) 20.533 11.635 ( 12.196 -0.000 -12.918) 17.765 11.665 ( 9.388 -0.000 7.899) 12.269 12.307 ( 9.686 -0.000 7.476) 12.235 12.632 ( -15.861 0.000 8.345) 17.922 12.665 ( -4.288 0.000 -6.396) 7.700 13.477 ( 7.020 -0.000 -15.307) 16.840 17.488 ( -9.598 0.000 -10.733) 14.399 18.469 ( 7.125 -0.000 6.048) 9.346 18.756 ( -3.243 0.000 4.538) 5.578 19.272 ( -9.536 0.000 3.965) 10.327 20.816 ( 1.605 -0.000 -23.704) 23.758 22.264 ( 0.595 -0.000 14.863) 14.875 23.412 ( 9.502 -0.000 4.777) 10.635 23.838 ( 6.404 -0.000 0.685) 6.441 ======================= Grid point 440 (217/361) ======================= q-point: (-0.70 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -3.074 0.682 -6.764) 7.461 2.791 ( -10.420 3.487 1.716) 11.122 3.217 ( -2.680 -0.775 -5.404) 6.082 3.335 ( -2.883 -3.851 4.736) 6.751 3.672 ( 1.873 -2.672 -7.985) 8.626 3.866 ( -3.718 2.639 10.221) 11.192 4.490 ( 2.572 5.828 5.139) 8.185 4.604 ( 0.899 -4.883 2.914) 5.757 4.887 ( -12.845 4.903 4.712) 14.534 5.053 ( -9.945 -10.643 5.044) 15.416 5.576 ( -8.481 -0.449 -1.955) 8.715 5.733 ( -4.501 -0.393 1.707) 4.830 6.519 ( 2.270 0.956 -7.762) 8.143 6.774 ( 3.436 -2.177 -0.495) 4.098 7.436 ( -24.611 0.952 7.075) 25.626 7.492 ( -2.984 4.048 1.791) 5.338 8.347 ( -8.504 -2.468 13.336) 16.008 8.958 ( -0.970 0.055 -10.095) 10.142 9.165 ( 3.542 -2.410 3.546) 5.561 9.353 ( -6.336 -0.468 8.981) 11.001 10.886 ( 6.516 2.847 9.544) 11.902 11.247 ( 15.249 18.326 -4.974) 24.354 11.606 ( 9.374 3.775 -12.482) 16.060 11.850 ( 4.111 -13.394 -2.468) 14.226 12.479 ( -13.359 1.819 5.001) 14.380 12.523 ( -6.596 -1.169 -2.425) 7.124 12.676 ( 14.105 -3.886 13.519) 19.920 13.419 ( 10.280 -4.468 -16.990) 20.355 17.271 ( -7.810 -0.177 -4.740) 9.137 18.533 ( 1.376 -1.807 -6.029) 6.442 18.889 ( 6.538 1.482 13.264) 14.862 19.270 ( 1.391 -1.189 4.355) 4.724 20.539 ( -0.813 3.320 -20.827) 21.106 22.365 ( -8.613 -5.174 7.899) 12.781 23.605 ( 8.964 4.453 6.885) 12.148 23.940 ( 4.986 -2.698 2.503) 6.197 ======================= Grid point 441 (218/361) ======================= q-point: (-0.60 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -6.525 4.448 2.704) 8.347 2.601 ( -14.107 9.552 4.794) 17.698 3.188 ( -0.548 -8.044 -2.654) 8.488 3.407 ( 2.356 -6.010 0.719) 6.495 3.618 ( -2.694 -4.474 -3.950) 6.548 3.911 ( -8.123 0.018 12.615) 15.005 4.324 ( -11.692 12.051 -0.429) 16.796 4.662 ( 0.173 -0.368 1.066) 1.141 4.914 ( -0.479 -11.113 6.792) 13.033 5.158 ( -2.395 -6.510 9.908) 12.094 5.480 ( -5.534 -1.463 2.248) 6.150 5.728 ( 0.141 0.694 2.279) 2.386 6.437 ( -2.473 -0.237 -4.541) 5.176 6.757 ( -8.557 -3.839 -4.846) 10.556 7.133 ( -19.810 -1.029 0.027) 19.837 7.438 ( -1.898 5.025 0.767) 5.426 8.419 ( -6.310 -1.844 12.299) 13.946 8.867 ( 0.450 -0.865 -5.427) 5.514 9.297 ( -0.026 -2.164 7.214) 7.532 9.385 ( -3.034 -2.458 8.495) 9.350 10.913 ( 4.809 18.762 -3.527) 19.687 11.251 ( 8.806 13.920 4.358) 17.038 11.539 ( 7.291 3.073 -13.179) 15.371 11.952 ( 3.222 -9.622 -5.861) 11.718 12.325 ( -16.379 2.304 8.472) 18.584 12.449 ( -3.103 -6.194 -3.278) 7.664 13.036 ( 13.211 0.683 7.373) 15.145 13.456 ( 12.502 -12.183 -14.531) 22.713 17.192 ( -2.806 -2.052 3.545) 4.965 18.457 ( 0.996 -4.243 -12.840) 13.559 19.119 ( 8.149 6.433 10.640) 14.866 19.428 ( 12.787 0.297 4.529) 13.568 20.262 ( -4.236 1.683 -14.968) 15.646 22.328 ( -14.891 -9.228 3.803) 17.926 23.695 ( 5.508 10.330 2.609) 11.993 24.093 ( 2.523 -7.419 5.255) 9.435 ======================= Grid point 442 (219/361) ======================= q-point: (-0.50 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -9.890 9.145 10.267) 16.937 2.358 ( -15.749 17.200 10.139) 25.430 3.235 ( -4.409 -11.054 0.109) 11.901 3.510 ( 5.208 -6.496 -3.095) 8.883 3.595 ( -3.895 -3.854 1.303) 5.632 3.905 ( -14.613 -12.111 4.488) 19.502 4.158 ( 3.841 15.668 5.557) 17.062 4.675 ( -1.895 -3.543 1.414) 4.260 5.079 ( -4.618 -12.926 7.386) 15.587 5.302 ( -0.969 -2.491 10.746) 11.074 5.522 ( 0.741 -2.371 7.165) 7.584 5.763 ( 3.256 2.303 1.158) 4.153 6.357 ( -11.548 -2.870 3.693) 12.460 6.490 ( -17.618 -8.035 -9.161) 21.421 6.984 ( -3.370 -2.087 -4.562) 6.044 7.368 ( -2.772 3.893 0.084) 4.779 8.493 ( -4.313 -0.649 10.737) 11.589 8.830 ( -2.301 1.211 0.709) 2.695 9.336 ( -9.196 -6.525 6.559) 13.045 9.534 ( 5.259 -0.467 7.382) 9.075 10.680 ( 2.967 26.453 -8.033) 27.805 11.306 ( 5.205 10.510 5.071) 12.778 11.441 ( 6.112 3.727 -13.538) 15.314 11.975 ( 1.308 -3.499 -6.159) 7.203 12.217 ( -12.569 0.861 10.946) 16.690 12.456 ( 0.843 -6.817 -3.280) 7.612 13.164 ( 6.459 4.583 -2.739) 8.380 13.613 ( 10.600 -15.634 -10.254) 21.492 17.332 ( 4.296 -6.561 11.688) 14.075 18.348 ( 2.348 -6.970 -16.767) 18.309 19.203 ( 6.187 13.192 1.266) 14.626 19.697 ( 18.935 2.191 3.063) 19.306 20.069 ( -4.874 -1.447 -5.187) 7.263 22.234 ( -18.614 -13.071 3.702) 23.044 23.669 ( 3.793 10.802 -1.091) 11.501 24.206 ( -3.233 -6.762 2.010) 7.760 ======================= Grid point 443 (220/361) ======================= q-point: (-0.40 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -11.127 20.054 12.863) 26.295 2.203 ( -12.143 9.828 17.528) 23.479 3.223 ( -8.989 -8.536 -2.155) 12.582 3.540 ( -4.549 -6.689 0.483) 8.104 3.639 ( 0.648 -2.295 5.018) 5.555 3.933 ( -0.514 -17.198 -3.835) 17.628 4.201 ( 7.081 14.204 7.513) 17.560 4.730 ( -1.170 -7.638 2.817) 8.225 5.165 ( -5.614 -8.761 2.634) 10.734 5.437 ( -2.972 0.545 15.369) 15.663 5.645 ( -6.234 -4.486 9.267) 12.036 5.814 ( 6.993 0.243 1.218) 7.102 6.194 ( -14.305 -7.264 0.626) 16.056 6.417 ( -3.440 -9.148 3.117) 10.259 6.896 ( -2.054 -1.694 -7.611) 8.064 7.301 ( -3.998 1.543 0.320) 4.297 8.567 ( -2.695 0.825 9.711) 10.111 8.805 ( -5.885 1.953 8.126) 10.222 9.329 ( -10.256 -8.790 3.317) 13.908 9.653 ( 3.793 3.920 3.140) 6.294 10.389 ( 1.274 24.094 -6.683) 25.036 11.301 ( 4.839 16.450 -1.298) 17.196 11.351 ( 5.495 -0.965 -9.032) 10.616 11.872 ( -4.794 2.434 -7.712) 9.401 12.239 ( -4.125 -1.169 10.292) 11.150 12.512 ( 3.732 -4.391 -0.507) 5.785 13.123 ( 1.384 6.043 -4.050) 7.405 13.723 ( 5.840 -13.993 -12.706) 19.783 17.653 ( 8.584 -8.953 11.005) 16.582 18.283 ( 3.823 -12.618 -13.313) 18.737 19.130 ( 5.950 12.934 -5.242) 15.171 19.843 ( -2.433 -3.853 -3.127) 5.527 20.118 ( 18.203 9.141 5.433) 21.082 22.144 ( -20.488 -16.593 4.853) 26.807 23.603 ( 3.558 8.675 -3.461) 9.994 24.143 ( -9.757 -2.031 -4.305) 10.856 ======================= Grid point 444 (221/361) ======================= q-point: (-0.30 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.007 ( -2.718 13.929 13.805) 19.798 2.217 ( -9.447 6.284 22.704) 25.381 3.109 ( -8.915 -6.392 -5.119) 12.106 3.560 ( -2.081 -8.413 -2.523) 9.027 3.751 ( 2.339 -1.005 7.864) 8.266 4.048 ( 2.989 -16.513 -6.933) 18.157 4.243 ( 4.878 12.125 4.462) 13.810 4.798 ( -1.169 -7.304 -2.594) 7.839 5.188 ( -0.969 -0.391 5.329) 5.430 5.548 ( -8.229 1.392 17.354) 19.257 5.651 ( -12.442 -5.388 11.542) 17.806 6.013 ( 10.910 -6.211 3.483) 13.028 6.172 ( 0.347 -3.357 2.112) 3.982 6.553 ( -4.522 -13.514 10.555) 17.734 6.770 ( -3.072 -1.163 -9.209) 9.777 7.234 ( -7.229 -1.046 2.137) 7.610 8.628 ( -2.445 4.969 10.877) 12.206 8.839 ( -7.558 -1.859 12.239) 14.504 9.289 ( -6.850 -6.636 -0.931) 9.582 9.640 ( 0.614 7.455 -0.199) 7.483 10.162 ( 0.177 17.235 -2.432) 17.407 11.164 ( 4.337 18.020 -5.459) 19.321 11.345 ( 5.875 -0.455 -8.337) 10.209 11.647 ( -7.732 3.050 -9.495) 12.619 12.326 ( -1.251 0.541 9.127) 9.228 12.624 ( 6.732 -1.115 2.334) 7.212 13.022 ( -1.805 6.006 -2.713) 6.833 13.731 ( 2.854 -12.137 -14.458) 19.092 17.869 ( 8.053 -3.882 -3.742) 9.691 18.391 ( -0.601 -17.852 0.802) 17.880 19.090 ( 11.331 4.114 -6.266) 13.586 19.731 ( -8.401 -0.751 -4.141) 9.397 20.396 ( 22.735 13.143 7.672) 27.358 22.068 ( -20.520 -18.383 3.350) 27.753 23.542 ( 4.073 5.727 -4.807) 8.515 23.889 ( -13.174 4.509 -8.000) 16.059 ======================= Grid point 445 (222/361) ======================= q-point: (-0.20 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 5.334 5.535 12.790) 14.922 2.389 ( -2.274 0.642 24.645) 24.758 3.009 ( -2.568 -5.545 -6.063) 8.608 3.539 ( -2.953 -9.349 -8.430) 12.930 3.876 ( 0.073 -2.641 4.679) 5.374 4.084 ( 0.488 -7.669 -9.400) 12.141 4.252 ( 4.660 5.496 0.745) 7.244 4.730 ( -3.076 -0.201 -8.882) 9.402 5.300 ( 1.491 1.103 12.033) 12.175 5.596 ( -6.478 6.466 13.337) 16.176 5.744 ( -7.689 -2.877 21.518) 23.031 6.236 ( 6.590 -8.482 0.353) 10.747 6.275 ( 4.725 -3.148 3.483) 6.661 6.569 ( -4.749 -2.047 -9.969) 11.230 6.803 ( -4.400 -11.664 13.915) 18.683 7.199 ( -9.862 -9.251 6.752) 15.115 8.671 ( -3.952 9.628 14.178) 17.588 8.880 ( -8.064 -4.339 7.820) 12.042 9.242 ( -1.554 -0.355 -3.225) 3.598 9.600 ( -0.636 2.198 2.637) 3.491 10.025 ( 0.476 10.989 0.316) 11.004 10.979 ( 1.140 19.465 -4.089) 19.922 11.277 ( 3.165 3.384 -13.441) 14.217 11.466 ( 0.473 -2.898 -8.156) 8.669 12.398 ( -1.424 2.876 8.167) 8.774 12.737 ( 4.082 1.201 2.156) 4.770 12.926 ( 0.428 4.658 -2.365) 5.242 13.693 ( 1.520 -10.298 -12.990) 16.646 17.935 ( 7.833 -2.878 -6.272) 10.439 18.463 ( -6.792 -8.754 -0.563) 11.094 19.180 ( 3.000 -4.345 -3.948) 6.593 19.585 ( 0.385 2.100 -4.858) 5.306 20.688 ( 17.008 9.403 12.124) 22.906 21.961 ( -16.595 -14.673 -3.310) 22.398 23.486 ( -0.800 5.150 -4.922) 7.169 23.590 ( -4.668 5.745 -6.373) 9.768 ======================= Grid point 446 (223/361) ======================= q-point: (-0.10 0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.335 ( 9.778 0.479 11.713) 15.266 2.675 ( 3.155 -3.435 16.190) 16.848 3.018 ( 4.647 -4.566 -0.456) 6.531 3.461 ( -3.364 -9.517 -10.010) 14.215 3.830 ( -3.237 -1.892 -10.991) 11.613 4.045 ( -3.339 -2.433 -2.476) 4.817 4.282 ( 3.720 2.380 -0.338) 4.429 4.550 ( -2.799 5.412 -7.655) 9.784 5.441 ( -3.535 3.280 14.335) 15.124 5.594 ( -7.781 4.914 12.032) 15.148 5.908 ( -1.498 2.228 11.872) 12.172 6.280 ( -5.248 0.451 -2.832) 5.980 6.407 ( 6.097 -3.972 -1.595) 7.450 6.476 ( 2.514 -4.865 -3.003) 6.245 6.965 ( -8.050 -3.445 19.196) 21.098 7.346 ( -7.732 -25.872 10.238) 28.878 8.659 ( -9.141 15.346 15.728) 23.800 8.903 ( -3.126 -5.382 2.734) 6.798 9.165 ( -0.611 2.979 -3.223) 4.431 9.647 ( 0.516 -2.252 4.248) 4.836 10.008 ( 2.837 5.208 3.740) 7.011 10.777 ( -2.826 10.983 -2.699) 11.658 11.146 ( 8.095 6.918 -9.941) 14.568 11.473 ( 9.227 -4.113 -9.893) 14.140 12.411 ( -3.040 6.524 5.421) 9.011 12.753 ( -4.947 -2.181 3.182) 6.273 12.906 ( 6.939 5.423 -4.422) 9.855 13.657 ( 1.676 -7.468 -9.878) 12.496 18.007 ( 6.862 -2.648 -2.831) 7.881 18.364 ( -6.438 -2.013 -8.628) 10.952 19.060 ( -12.959 1.622 -0.437) 13.068 19.615 ( 4.494 -0.614 -1.756) 4.864 20.985 ( 6.787 -3.407 13.374) 15.380 21.800 ( -3.779 -1.598 -9.912) 10.728 23.305 ( -4.830 6.350 -2.275) 8.296 23.562 ( 6.924 0.252 -4.103) 8.052 ======================= Grid point 450 (224/361) ======================= q-point: ( 0.30 -0.70 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.387 ( -0.846 0.000 0.127) 0.855 2.694 ( -11.419 0.000 4.832) 12.399 3.113 ( -2.833 0.000 -3.338) 4.378 3.341 ( -0.175 0.000 2.742) 2.748 3.573 ( -1.812 0.000 -4.599) 4.943 3.893 ( -13.556 0.000 10.434) 17.107 4.542 ( 0.997 -0.000 -3.202) 3.353 4.627 ( -11.524 0.000 -0.019) 11.524 4.756 ( 1.338 -0.000 9.565) 9.658 5.100 ( -4.699 0.000 15.868) 16.550 5.469 ( -4.200 0.000 1.167) 4.359 5.735 ( 0.830 -0.000 2.479) 2.614 6.434 ( -1.446 0.000 -7.588) 7.724 6.721 ( -10.635 0.000 -2.766) 10.988 7.125 ( -22.002 0.000 1.216) 22.036 7.483 ( -1.070 0.000 -2.044) 2.307 8.402 ( -7.557 0.000 15.126) 16.909 8.845 ( 2.046 -0.000 -8.256) 8.506 9.307 ( 7.295 -0.000 7.261) 10.293 9.346 ( -10.359 0.000 9.942) 14.358 11.060 ( 4.934 -0.000 2.729) 5.638 11.443 ( 10.580 -0.000 -8.590) 13.628 11.645 ( 14.403 -0.000 -13.366) 19.650 11.751 ( -3.661 0.000 1.166) 3.843 12.351 ( -16.234 0.000 8.084) 18.135 12.384 ( -5.064 0.000 -2.461) 5.630 13.043 ( 15.164 -0.000 10.824) 18.631 13.341 ( 11.913 -0.000 -18.063) 21.638 17.174 ( -3.451 0.000 2.586) 4.312 18.418 ( 1.148 -0.000 -13.421) 13.470 19.179 ( 8.396 -0.000 14.000) 16.325 19.430 ( 13.827 -0.000 4.882) 14.663 20.275 ( -4.665 0.000 -18.502) 19.081 22.246 ( -14.758 0.000 4.177) 15.338 23.823 ( 3.697 -0.000 8.714) 9.466 23.992 ( 3.289 -0.000 0.014) 3.289 ======================= Grid point 452 (225/361) ======================= q-point: (-0.60 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.388 ( -4.277 5.790 8.121) 10.853 2.603 ( -9.127 8.062 9.770) 15.613 3.073 ( -4.570 -5.378 0.447) 7.072 3.384 ( -1.383 -6.015 -0.207) 6.175 3.531 ( 1.904 -2.425 -4.455) 5.418 3.753 ( -16.603 -4.280 3.378) 17.475 4.432 ( 2.334 12.141 0.834) 12.392 4.620 ( -4.955 -3.283 6.103) 8.519 4.902 ( -1.259 -5.632 8.038) 9.895 5.222 ( -10.988 -4.543 20.728) 23.896 5.512 ( 4.599 0.341 4.342) 6.334 5.797 ( 4.578 1.145 1.650) 4.999 6.319 ( -6.051 -1.336 -3.874) 7.308 6.385 ( -27.152 -3.115 -4.127) 27.640 6.957 ( -3.950 -0.863 -3.452) 5.316 7.421 ( -0.656 1.680 -4.574) 4.916 8.475 ( -7.944 -0.641 14.178) 16.264 8.815 ( 2.172 -1.733 -3.970) 4.846 9.302 ( -12.334 0.712 10.398) 16.147 9.518 ( 7.268 -0.901 8.895) 11.522 11.040 ( 3.872 11.478 -8.959) 15.066 11.411 ( 4.383 1.930 -9.337) 10.494 11.589 ( 4.605 13.400 -1.262) 14.225 11.842 ( 6.415 -12.063 -6.512) 15.135 12.239 ( -14.046 1.287 9.923) 17.246 12.355 ( -0.572 -3.692 1.014) 3.871 13.243 ( 8.761 5.208 -4.780) 11.257 13.376 ( 10.224 -10.524 -7.169) 16.330 17.254 ( 3.078 -2.237 10.043) 10.740 18.261 ( 1.833 -2.606 -17.913) 18.194 19.394 ( 6.422 6.847 7.412) 11.960 19.717 ( 16.833 0.212 1.519) 16.903 20.030 ( -1.169 -2.013 -10.375) 10.633 22.081 ( -18.071 -4.266 4.102) 19.015 23.857 ( -0.327 9.903 2.635) 10.253 24.065 ( -0.832 -8.547 0.392) 8.596 ======================= Grid point 453 (226/361) ======================= q-point: (-0.50 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( -9.178 9.969 11.865) 18.011 2.500 ( -8.079 19.435 12.537) 24.498 3.064 ( -7.808 -8.746 0.391) 11.731 3.359 ( -10.889 -13.702 -0.390) 17.506 3.566 ( 4.862 -5.813 -3.784) 8.470 3.724 ( 0.803 -4.922 1.899) 5.336 4.432 ( 9.133 6.643 -1.554) 11.400 4.637 ( -8.941 1.399 11.080) 14.306 5.021 ( -2.946 -6.094 9.509) 11.672 5.374 ( -12.199 -7.079 21.053) 25.341 5.627 ( 1.010 1.576 6.990) 7.236 5.850 ( 3.011 3.255 0.912) 4.527 6.069 ( -14.825 -6.554 1.516) 16.279 6.267 ( -4.147 -6.981 -0.651) 8.146 6.872 ( -1.715 -1.026 -6.776) 7.064 7.340 ( -0.224 2.248 -4.895) 5.391 8.531 ( -8.137 -2.318 12.296) 14.926 8.826 ( -0.173 -0.974 1.424) 1.734 9.248 ( -12.926 -0.807 9.992) 16.358 9.703 ( 5.249 1.825 7.117) 9.029 10.789 ( 1.933 19.188 -14.228) 23.966 11.337 ( 4.773 -0.465 -11.923) 12.852 11.539 ( -0.435 10.064 4.093) 10.873 11.894 ( 5.999 -0.683 -11.702) 13.168 12.205 ( -8.288 -1.958 11.437) 14.260 12.444 ( 4.228 -3.037 4.391) 6.811 13.208 ( 4.429 3.838 -7.871) 9.813 13.493 ( 3.240 -11.065 -6.692) 13.331 17.523 ( 8.636 -5.326 14.084) 17.358 18.112 ( 2.730 -6.583 -17.774) 19.149 19.365 ( 1.542 13.152 -5.420) 14.309 19.744 ( -5.450 -7.397 -4.153) 10.083 20.237 ( 26.815 4.349 4.391) 27.518 21.932 ( -19.291 -7.690 5.464) 21.474 23.762 ( -1.138 9.052 -1.642) 9.270 24.067 ( -6.590 -6.119 -3.219) 9.552 ======================= Grid point 454 (227/361) ======================= q-point: (-0.40 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( -9.555 11.527 10.853) 18.492 2.407 ( -5.088 15.672 15.729) 22.779 2.990 ( -9.547 -6.820 -2.726) 12.046 3.380 ( -5.044 -12.844 -0.410) 13.805 3.662 ( 5.617 -9.844 -4.593) 12.229 3.836 ( 1.831 -5.110 4.984) 7.369 4.472 ( 8.579 11.763 -2.474) 14.768 4.637 ( -5.556 -8.837 2.724) 10.788 5.162 ( -1.012 -2.028 12.341) 12.547 5.473 ( -15.433 -6.410 20.668) 26.579 5.676 ( -3.374 4.245 11.647) 12.848 5.930 ( 5.555 -2.853 3.279) 7.054 6.089 ( 0.068 -5.392 4.574) 7.071 6.324 ( -3.712 -11.573 5.214) 13.225 6.755 ( -2.875 -0.711 -8.967) 9.444 7.256 ( -1.565 2.692 -3.673) 4.815 8.593 ( -7.309 -4.739 10.930) 13.976 8.862 ( -3.011 0.881 8.087) 8.674 9.199 ( -10.662 -2.291 7.206) 13.071 9.780 ( 2.424 6.770 3.072) 7.819 10.477 ( 0.522 17.393 -12.107) 21.198 11.281 ( 7.280 -0.730 -12.410) 14.406 11.469 ( -3.691 9.221 2.616) 10.271 11.739 ( 0.601 7.904 -14.214) 16.275 12.290 ( -2.675 -4.309 8.529) 9.923 12.623 ( 9.041 0.681 7.446) 11.733 13.116 ( -1.452 4.629 -4.444) 6.579 13.511 ( -0.040 -12.066 -10.184) 15.789 17.813 ( 8.731 -2.212 1.634) 9.154 18.107 ( 4.030 -13.822 -1.203) 14.448 19.181 ( 0.217 5.811 -9.723) 11.329 19.681 ( -5.367 -4.164 -3.384) 7.590 20.619 ( 27.620 11.057 5.772) 30.306 21.812 ( -18.401 -10.717 4.583) 21.782 23.648 ( -0.604 6.090 -3.739) 7.172 23.915 ( -10.054 -0.998 -7.273) 12.449 ======================= Grid point 455 (228/361) ======================= q-point: (-0.30 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 0.720 7.412 10.851) 13.161 2.454 ( -3.150 6.722 18.350) 19.795 2.911 ( -2.755 -5.244 -3.392) 6.827 3.372 ( -5.274 -9.661 -5.720) 12.404 3.757 ( 3.693 -9.783 -6.342) 12.229 3.945 ( -2.828 -6.077 4.450) 8.046 4.405 ( 3.398 8.969 -4.062) 10.416 4.680 ( 2.913 -4.920 -5.880) 8.201 5.319 ( -0.332 0.493 14.611) 14.623 5.659 ( -5.698 -3.987 26.356) 27.258 5.729 ( -2.925 5.821 12.777) 14.342 6.065 ( 1.427 -8.660 1.106) 8.846 6.224 ( 2.451 -3.439 7.301) 8.435 6.465 ( -3.123 -12.394 3.133) 13.160 6.616 ( -4.210 -4.263 -3.861) 7.128 7.163 ( -4.276 2.513 -1.243) 5.113 8.672 ( -6.176 -5.875 10.234) 13.319 8.898 ( -8.151 3.326 12.649) 15.411 9.175 ( -4.662 -3.985 2.189) 6.512 9.745 ( 1.513 10.497 1.268) 10.681 10.235 ( -0.149 11.887 -7.014) 13.803 11.207 ( -1.439 5.375 -8.568) 10.216 11.367 ( 2.143 3.993 -4.216) 6.190 11.502 ( 4.474 10.410 -14.549) 18.441 12.387 ( -2.089 -3.819 7.166) 8.385 12.799 ( 4.292 5.286 6.543) 9.443 13.009 ( -0.063 4.458 -1.886) 4.841 13.487 ( -0.271 -12.523 -10.645) 16.438 17.885 ( 6.758 -2.543 -5.181) 8.887 18.317 ( 0.283 -7.894 6.468) 10.210 19.082 ( 0.478 -5.665 -7.931) 9.758 19.598 ( -0.295 -0.437 -5.611) 5.636 20.900 ( 14.179 13.858 9.542) 22.003 21.737 ( -8.262 -10.917 -0.781) 13.713 23.555 ( -0.841 3.194 -4.004) 5.190 23.674 ( -7.652 3.189 -8.237) 11.686 ======================= Grid point 456 (229/361) ======================= q-point: (-0.20 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.354 ( 3.442 2.187 11.960) 12.636 2.635 ( 5.258 -0.992 12.767) 13.843 2.949 ( 5.110 -2.937 1.342) 6.045 3.293 ( -4.623 -9.019 -8.534) 13.249 3.758 ( 1.689 -5.247 -10.933) 12.244 3.953 ( -10.361 -7.600 2.221) 13.040 4.363 ( 6.491 5.265 -3.626) 9.111 4.632 ( 1.589 3.853 -7.599) 8.667 5.482 ( -1.270 0.191 13.971) 14.030 5.712 ( -9.655 8.794 13.761) 18.971 5.952 ( 0.175 2.612 12.280) 12.556 6.207 ( 2.131 -13.446 6.378) 15.034 6.303 ( -2.485 -1.195 -1.852) 3.322 6.427 ( 1.545 -2.393 -0.957) 3.004 6.793 ( -2.428 -18.158 13.474) 22.741 7.079 ( -6.727 -1.337 2.439) 7.280 8.770 ( -4.798 -6.003 9.990) 12.603 8.871 ( -10.621 5.986 12.074) 17.159 9.165 ( -3.170 -2.504 -1.237) 4.225 9.710 ( 2.518 8.159 2.503) 8.898 10.112 ( 2.412 5.885 -1.702) 6.584 10.935 ( -12.661 7.801 -7.177) 16.512 11.334 ( 12.162 12.120 -7.160) 18.603 11.419 ( 11.420 -0.806 -11.237) 16.042 12.464 ( -2.290 -1.486 6.343) 6.905 12.751 ( -9.295 2.535 2.859) 10.049 13.019 ( 7.149 6.988 -2.028) 10.201 13.496 ( 2.918 -10.272 -7.259) 12.913 17.960 ( 5.451 -2.336 -0.184) 5.933 18.342 ( -3.734 -0.483 -3.600) 5.209 19.030 ( -7.284 -5.204 -3.568) 9.637 19.596 ( 6.903 -1.466 -4.350) 8.290 20.963 ( -10.052 1.454 8.571) 13.290 21.795 ( 13.725 0.896 -3.197) 14.121 23.406 ( -5.955 4.756 -4.390) 8.796 23.566 ( 3.787 0.104 -4.504) 5.886 ======================= Grid point 457 (230/361) ======================= q-point: (-0.10 0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.513 ( -2.709 -4.850 10.462) 11.845 2.872 ( 15.381 1.767 1.412) 15.547 3.122 ( 6.691 -3.654 5.082) 9.163 3.241 ( -1.500 -10.147 -3.465) 10.827 3.661 ( 0.258 0.211 -10.022) 10.028 3.856 ( -10.684 -6.768 -3.504) 13.124 4.368 ( 6.031 6.802 -4.679) 10.224 4.536 ( 0.081 3.810 -0.265) 3.820 5.571 ( -9.026 7.764 12.088) 16.966 5.590 ( -14.306 2.589 6.153) 15.787 5.931 ( -3.948 0.494 -2.576) 4.740 6.147 ( -6.484 0.685 -3.653) 7.474 6.481 ( 3.669 -2.327 -0.427) 4.366 6.520 ( 8.238 -0.060 6.263) 10.349 7.093 ( -2.914 -13.049 19.979) 24.040 7.124 ( -5.063 -15.939 7.189) 18.203 8.767 ( -13.573 10.176 9.091) 19.246 8.873 ( -3.390 -5.012 8.173) 10.169 9.129 ( -1.313 -1.712 0.374) 2.190 9.707 ( 1.514 4.755 -0.742) 5.045 10.173 ( 6.579 0.761 5.409) 8.551 10.638 ( -9.070 1.312 -6.196) 11.062 11.386 ( 17.437 11.903 -0.179) 21.113 11.476 ( 13.531 -2.562 -11.911) 18.208 12.468 ( -3.202 5.640 2.658) 7.010 12.667 ( -10.289 -4.555 5.845) 12.679 12.978 ( 2.032 5.962 -5.293) 8.227 13.556 ( 6.667 -3.932 -5.872) 9.715 18.031 ( -1.684 -0.706 -2.162) 2.830 18.195 ( -0.468 0.984 -7.010) 7.095 18.917 ( -7.630 0.871 0.600) 7.703 19.623 ( -2.756 1.861 0.719) 3.403 20.876 ( -11.488 -13.885 -4.352) 18.539 21.990 ( 20.321 12.153 4.567) 24.114 23.278 ( -0.853 3.148 -2.758) 4.271 23.608 ( 5.971 -1.924 -1.704) 6.501 ======================= Grid point 462 (231/361) ======================= q-point: ( 0.40 -0.60 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.456 ( -7.184 0.000 9.733) 12.098 2.716 ( -0.986 0.000 13.353) 13.390 2.984 ( -8.824 0.000 3.123) 9.361 3.167 ( -18.075 0.000 -3.032) 18.327 3.506 ( 6.224 -0.000 -7.845) 10.014 3.694 ( 1.954 -0.000 4.804) 5.186 4.439 ( -0.723 0.000 -1.813) 1.951 4.721 ( -0.089 0.000 7.520) 7.520 4.968 ( -1.895 0.000 11.929) 12.079 5.282 ( -15.658 0.000 24.923) 29.434 5.649 ( 2.216 -0.000 7.752) 8.063 5.896 ( 6.090 -0.000 1.050) 6.179 5.993 ( -19.845 0.000 1.638) 19.913 6.201 ( -4.340 0.000 -2.441) 4.979 6.863 ( -1.755 0.000 -6.296) 6.536 7.363 ( 1.783 -0.000 -7.258) 7.474 8.511 ( -10.765 0.000 14.184) 17.806 8.807 ( 1.973 -0.000 -0.631) 2.071 9.250 ( -13.589 0.000 11.006) 17.487 9.719 ( 5.718 -0.000 8.834) 10.523 10.977 ( 2.575 -0.000 -17.984) 18.167 11.333 ( 4.120 -0.000 -12.112) 12.794 11.644 ( -10.006 0.000 6.115) 11.726 11.862 ( 18.638 -0.000 -12.522) 22.454 12.191 ( -11.897 0.000 11.298) 16.407 12.415 ( 4.999 -0.000 6.543) 8.234 13.254 ( 10.183 -0.000 -15.512) 18.555 13.377 ( -2.052 0.000 1.844) 2.759 17.475 ( 8.635 -0.000 14.552) 16.921 18.053 ( 2.494 -0.000 -18.928) 19.092 19.564 ( 3.473 -0.000 2.688) 4.392 19.597 ( -10.384 0.000 -12.635) 16.354 20.275 ( 30.337 -0.000 3.812) 30.575 21.866 ( -18.881 0.000 5.763) 19.741 23.888 ( -7.622 0.000 1.942) 7.866 23.966 ( -0.791 0.000 -5.802) 5.855 ======================= Grid point 464 (232/361) ======================= q-point: (-0.50 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -9.431 6.410 7.940) 13.895 2.727 ( -5.579 19.149 9.046) 21.901 2.886 ( -9.075 -3.684 0.018) 9.794 3.092 ( -4.878 -19.051 3.261) 19.934 3.520 ( 6.458 -4.296 -7.303) 10.654 3.799 ( 0.032 -0.681 7.592) 7.623 4.469 ( 3.390 -4.389 0.196) 5.549 4.682 ( -1.365 5.986 -4.930) 7.874 5.138 ( -1.491 -0.394 17.791) 17.857 5.369 ( -13.905 -4.291 21.569) 26.019 5.744 ( -5.214 2.655 16.174) 17.199 5.908 ( -0.075 -0.135 4.115) 4.118 6.007 ( 3.722 -3.130 3.112) 5.773 6.172 ( -2.363 -4.958 1.984) 5.839 6.745 ( -3.093 -0.393 -8.460) 9.016 7.300 ( 2.985 1.638 -7.762) 8.476 8.528 ( -12.166 -2.047 14.683) 19.178 8.853 ( 1.480 -0.890 3.224) 3.657 9.192 ( -12.821 0.382 10.269) 16.431 9.861 ( 2.713 2.303 6.373) 7.300 10.718 ( 0.652 8.104 -20.773) 22.307 11.265 ( 6.660 -0.643 -11.695) 13.474 11.555 ( -10.133 1.755 3.782) 10.957 11.885 ( 11.567 6.201 -16.172) 20.827 12.204 ( -7.837 -4.002 11.588) 14.550 12.634 ( 11.774 0.361 9.683) 15.249 13.187 ( 3.075 3.369 -9.093) 10.173 13.336 ( -6.103 -6.851 -3.401) 9.785 17.798 ( 10.443 0.437 10.964) 15.148 17.924 ( 4.540 -6.332 -9.379) 12.193 19.272 ( -10.212 3.555 -11.514) 15.795 19.610 ( 0.239 -2.939 -2.841) 4.094 20.759 ( 33.616 4.296 4.217) 34.151 21.687 ( -19.131 -3.564 5.226) 20.150 23.747 ( -6.580 4.535 -2.293) 8.314 23.873 ( -5.213 -3.047 -7.470) 9.606 ======================= Grid point 465 (233/361) ======================= q-point: (-0.40 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -0.331 7.202 7.890) 10.688 2.606 ( -8.515 9.500 9.765) 16.065 2.835 ( -0.838 -3.050 -0.300) 3.177 3.197 ( -3.614 -9.925 -1.127) 10.623 3.596 ( 7.569 -7.163 -5.655) 11.856 3.857 ( -8.856 -4.106 7.785) 12.486 4.525 ( -1.113 3.289 -5.397) 6.418 4.594 ( 11.001 -2.837 -6.724) 13.202 5.314 ( -3.150 -0.662 15.930) 16.252 5.559 ( -3.003 -5.761 24.397) 25.248 5.847 ( -3.080 6.123 15.902) 17.316 5.968 ( -2.044 -2.103 4.472) 5.348 6.152 ( 2.098 -4.510 8.726) 10.044 6.256 ( -0.329 -9.022 3.964) 9.860 6.585 ( -5.250 -0.842 -8.961) 10.420 7.226 ( 2.014 3.589 -6.763) 7.917 8.571 ( -12.259 -4.657 15.992) 20.681 8.924 ( -1.252 -0.024 6.671) 6.788 9.139 ( -9.312 -0.519 6.924) 11.616 9.901 ( 0.869 6.375 2.975) 7.088 10.416 ( -0.410 7.867 -16.658) 18.427 11.244 ( 7.160 0.375 -10.338) 12.581 11.413 ( -9.271 2.300 -0.783) 9.584 11.737 ( 9.542 12.418 -16.449) 22.711 12.292 ( -4.925 -6.035 9.443) 12.241 12.896 ( 8.170 5.145 8.121) 12.616 13.077 ( -1.598 3.149 -0.951) 3.657 13.275 ( -3.231 -10.725 -8.058) 13.799 17.851 ( 5.735 -1.281 -4.829) 7.606 18.193 ( 7.591 -5.695 11.798) 15.141 19.007 ( -7.657 -2.703 -10.350) 13.155 19.583 ( 1.908 -0.989 -6.010) 6.383 21.145 ( 16.763 13.157 6.080) 22.160 21.563 ( -4.974 -9.174 0.516) 10.449 23.602 ( -5.137 2.103 -3.163) 6.389 23.704 ( -5.606 0.524 -8.746) 10.402 ======================= Grid point 466 (234/361) ======================= q-point: (-0.30 0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( -1.063 6.005 9.877) 11.608 2.628 ( 5.189 -0.226 9.263) 10.620 2.908 ( 4.592 -2.405 3.230) 6.108 3.167 ( -1.315 -4.501 -6.454) 7.978 3.673 ( 5.508 -3.914 -6.304) 9.241 3.801 ( -16.483 -8.878 3.592) 19.063 4.445 ( 6.220 4.191 -6.952) 10.227 4.672 ( 8.060 0.168 -7.257) 10.847 5.446 ( -4.963 -3.537 12.741) 14.124 5.868 ( -6.430 3.543 18.848) 20.227 5.958 ( -4.907 -6.838 2.197) 8.699 6.001 ( 6.244 1.794 18.399) 19.512 6.287 ( -3.010 -1.506 1.774) 3.805 6.358 ( 1.582 -5.953 0.828) 6.215 6.512 ( -2.322 -10.814 6.438) 12.798 7.134 ( 0.000 4.910 -4.345) 6.556 8.649 ( -12.238 -6.447 17.045) 21.951 8.951 ( -6.123 2.860 8.626) 10.958 9.117 ( -3.915 -2.362 1.987) 4.986 9.866 ( 1.007 8.250 1.013) 8.373 10.195 ( -0.610 3.176 -10.639) 11.119 11.082 ( -10.555 8.891 -4.867) 14.633 11.366 ( 10.168 -1.810 -8.648) 13.471 11.597 ( 12.817 12.923 -12.548) 22.107 12.387 ( -4.328 -5.862 8.335) 11.071 12.817 ( -11.792 4.156 1.861) 12.640 13.119 ( 2.293 2.423 -3.480) 4.821 13.328 ( 8.782 -6.922 0.256) 11.185 17.928 ( 5.210 -1.280 2.497) 5.917 18.343 ( -1.787 0.360 -0.148) 1.829 18.901 ( -2.789 -8.141 -3.197) 9.180 19.570 ( 6.950 -1.333 -6.883) 9.872 21.025 ( -19.722 4.702 1.291) 20.316 21.822 ( 26.737 1.827 1.625) 26.848 23.468 ( -6.250 2.332 -4.040) 7.799 23.565 ( 0.185 -0.181 -5.555) 5.561 ======================= Grid point 467 (235/361) ======================= q-point: (-0.20 -0.60 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -10.019 -1.652 12.408) 16.033 2.902 ( 18.792 1.521 3.537) 19.182 3.059 ( 2.608 -6.145 6.403) 9.250 3.126 ( 5.283 0.166 -6.768) 8.587 3.652 ( 1.755 -2.408 -9.516) 9.972 3.697 ( -13.365 -9.053 2.377) 16.317 4.445 ( 6.734 2.761 -3.752) 8.188 4.634 ( 3.529 6.066 -6.720) 9.716 5.521 ( -8.972 -5.301 7.541) 12.864 5.786 ( -13.459 8.349 2.932) 16.108 5.923 ( -5.751 -0.235 5.189) 7.750 6.142 ( -6.292 -0.755 -1.524) 6.518 6.408 ( 6.172 -3.619 7.851) 10.622 6.512 ( 7.882 -3.500 8.411) 12.047 6.742 ( 0.176 -15.301 8.854) 17.679 7.082 ( -0.030 1.477 5.145) 5.352 8.737 ( -12.499 -7.153 15.315) 21.023 8.923 ( -7.888 5.325 8.636) 12.851 9.100 ( -2.348 -1.535 0.508) 2.851 9.821 ( 1.627 7.116 -0.607) 7.325 10.107 ( 0.956 -5.829 -5.987) 8.411 10.782 ( -10.533 12.551 -1.922) 16.497 11.437 ( 14.142 -1.788 -11.997) 18.631 11.593 ( 16.692 10.865 -4.123) 20.339 12.469 ( -4.947 -4.995 7.839) 10.529 12.649 ( -11.156 2.433 2.217) 11.631 13.036 ( -2.819 -0.458 -6.176) 6.805 13.523 ( 12.506 0.893 0.580) 12.551 18.034 ( -0.090 0.883 2.317) 2.481 18.201 ( -3.830 -0.366 -7.537) 8.462 18.918 ( -1.246 -0.617 1.437) 2.000 19.628 ( 5.453 -1.398 -2.605) 6.203 20.703 ( -19.760 -5.477 -6.358) 21.468 22.185 ( 26.169 9.724 5.173) 28.392 23.329 ( -2.673 2.671 -4.012) 5.511 23.566 ( 3.044 -2.854 -1.006) 4.292 ======================= Grid point 468 (236/361) ======================= q-point: (-0.10 -0.60 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( -13.568 -6.111 12.705) 19.567 3.022 ( 2.604 2.138 -7.060) 7.823 3.168 ( 3.489 -7.199 0.764) 8.036 3.276 ( 11.592 -0.170 3.082) 11.996 3.589 ( 0.324 -0.761 -5.491) 5.553 3.675 ( -0.073 -4.775 2.041) 5.193 4.464 ( 8.956 6.931 -6.396) 13.006 4.561 ( -2.893 1.412 2.749) 4.233 5.398 ( -17.870 1.412 -1.743) 18.011 5.563 ( -12.066 3.410 2.479) 12.781 5.885 ( -6.296 5.650 5.281) 9.972 6.029 ( -7.395 0.908 -1.660) 7.633 6.499 ( 2.895 -1.387 -2.016) 3.791 6.719 ( 8.195 4.035 3.384) 9.741 6.936 ( 0.094 -18.605 2.819) 18.817 7.295 ( 1.683 -6.116 18.145) 19.222 8.723 ( -13.674 3.213 6.974) 15.682 8.881 ( -8.335 -0.795 10.165) 13.169 9.128 ( -0.442 -2.366 4.350) 4.972 9.732 ( -2.055 8.239 -4.525) 9.622 10.180 ( 3.508 -17.071 -4.060) 17.894 10.607 ( -1.560 9.810 5.769) 11.487 11.495 ( 13.925 -2.350 -13.574) 19.588 11.757 ( 19.618 8.427 2.357) 21.481 12.499 ( -2.442 4.423 2.492) 5.634 12.543 ( -12.332 -5.502 7.667) 15.529 12.921 ( -4.125 0.561 -4.856) 6.396 13.646 ( 12.131 5.659 -4.118) 14.005 17.806 ( -10.666 0.937 -14.839) 18.299 18.278 ( 5.082 -0.148 8.805) 10.168 18.897 ( -0.249 5.071 0.142) 5.079 19.592 ( -9.646 5.343 2.800) 11.376 20.505 ( -4.315 -16.483 -13.982) 22.041 22.475 ( 17.683 14.305 9.455) 24.631 23.263 ( 2.394 0.076 -4.396) 5.007 23.667 ( 5.294 -3.256 3.384) 7.077 ======================= Grid point 474 (237/361) ======================= q-point: (-0.50 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -1.125 -0.000 6.324) 6.423 2.711 ( -11.552 -0.000 2.293) 11.777 2.820 ( -2.564 -0.000 0.305) 2.582 3.077 ( 2.237 -0.000 5.738) 6.159 3.530 ( 8.473 -0.000 -4.157) 9.438 3.816 ( -11.406 -0.000 7.834) 13.837 4.522 ( 5.911 -0.000 0.665) 5.948 4.598 ( 4.258 -0.000 -13.495) 14.151 5.308 ( -4.049 -0.000 15.609) 16.125 5.500 ( -2.928 -0.000 22.949) 23.135 5.902 ( -3.387 -0.000 14.713) 15.097 5.973 ( -2.991 0.000 12.281) 12.640 6.094 ( 2.901 -0.000 5.913) 6.586 6.174 ( 1.175 -0.000 2.946) 3.172 6.577 ( -5.477 -0.000 -9.181) 10.691 7.262 ( 4.645 -0.000 -9.188) 10.295 8.527 ( -14.873 -0.000 18.684) 23.881 8.920 ( 1.428 -0.000 4.641) 4.856 9.137 ( -11.206 -0.000 8.257) 13.920 9.958 ( 0.508 -0.000 4.165) 4.196 10.489 ( -0.749 -0.000 -21.578) 21.591 11.245 ( 9.686 -0.000 -10.157) 14.035 11.438 ( -10.714 -0.000 0.139) 10.715 11.863 ( 11.511 0.000 -19.861) 22.956 12.223 ( -7.989 -0.000 13.775) 15.924 12.953 ( 15.649 0.000 9.029) 18.067 13.125 ( -15.449 -0.000 0.401) 15.455 13.145 ( 3.030 -0.000 -8.563) 9.083 17.840 ( 5.169 -0.000 -5.031) 7.213 18.139 ( 10.536 -0.000 13.860) 17.410 18.984 ( -11.381 -0.000 -10.989) 15.821 19.573 ( 3.146 -0.000 -6.274) 7.019 21.313 ( 35.485 -0.000 4.162) 35.728 21.435 ( -21.255 0.000 1.425) 21.303 23.623 ( -8.135 -0.000 -2.639) 8.552 23.706 ( -3.484 -0.000 -9.009) 9.659 ======================= Grid point 476 (238/361) ======================= q-point: (-0.40 0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( -3.259 6.379 7.086) 10.076 2.615 ( 3.458 -1.600 7.623) 8.522 2.852 ( 2.561 -3.050 2.217) 4.558 3.135 ( 5.624 -0.102 -3.932) 6.863 3.630 ( 7.376 -1.037 -1.406) 7.580 3.675 ( -20.635 -4.353 3.807) 21.430 4.517 ( 8.043 3.855 -9.961) 13.371 4.633 ( 8.661 -3.732 -4.233) 10.337 5.392 ( -7.008 -1.790 10.743) 12.951 5.745 ( -2.580 -5.460 12.527) 13.907 6.021 ( -0.436 1.743 14.547) 14.657 6.077 ( -1.552 6.854 15.311) 16.847 6.236 ( -1.404 -4.124 8.935) 9.941 6.253 ( 3.813 -3.900 1.719) 5.719 6.412 ( -5.269 -2.086 -2.254) 6.098 7.206 ( 4.520 2.448 -9.068) 10.424 8.564 ( -17.083 -2.658 22.469) 28.351 8.982 ( -1.378 0.789 5.385) 5.614 9.088 ( -7.135 -0.844 4.859) 8.673 9.973 ( -0.214 3.381 0.938) 3.515 10.226 ( -2.659 0.618 -17.121) 17.338 11.230 ( -3.700 7.210 -4.154) 9.107 11.323 ( 6.283 -3.443 -7.000) 10.016 11.771 ( 12.822 5.696 -17.305) 22.279 12.297 ( -6.579 -3.321 12.231) 14.279 12.888 ( -14.902 3.500 1.247) 15.358 13.063 ( -1.691 -5.343 -8.409) 10.105 13.300 ( 14.764 1.138 9.014) 17.336 17.914 ( 5.389 -0.376 4.128) 6.799 18.349 ( -0.239 0.226 2.238) 2.262 18.788 ( -1.685 -3.680 -3.112) 5.106 19.553 ( 6.661 -0.530 -8.186) 10.567 21.094 ( -23.277 2.362 -4.151) 23.761 21.848 ( 33.730 0.879 4.354) 34.021 23.493 ( -6.070 0.645 -2.310) 6.526 23.561 ( -2.472 -0.167 -7.117) 7.536 ======================= Grid point 477 (239/361) ======================= q-point: (-0.30 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( -16.122 1.054 12.369) 20.348 2.913 ( 16.083 -0.643 1.995) 16.219 2.981 ( 8.295 -1.714 7.828) 11.534 3.172 ( 9.489 3.612 -6.474) 12.042 3.478 ( -16.159 -10.811 -0.389) 19.445 3.675 ( 1.891 1.064 -1.904) 2.887 4.500 ( 7.723 3.882 -5.966) 10.503 4.697 ( 6.908 0.233 -6.894) 9.763 5.416 ( -9.964 -5.549 7.401) 13.596 5.752 ( -11.173 -6.315 -1.497) 12.921 6.013 ( -9.126 5.104 8.147) 13.255 6.171 ( -4.713 5.251 5.039) 8.670 6.369 ( 4.650 -1.987 5.794) 7.690 6.392 ( 6.098 -7.069 5.300) 10.735 6.578 ( 6.281 -5.488 17.874) 19.724 7.138 ( 3.978 3.658 -6.376) 8.358 8.623 ( -18.795 -5.034 22.768) 29.949 8.992 ( -4.664 2.827 6.753) 8.680 9.074 ( -3.072 -1.468 2.294) 4.105 9.928 ( 0.152 4.460 -2.934) 5.341 10.020 ( -3.552 -3.567 -10.930) 12.033 11.010 ( -8.770 11.822 -0.669) 14.735 11.401 ( 13.964 -2.419 -11.549) 18.282 11.751 ( 15.800 6.424 -9.080) 19.323 12.375 ( -7.126 -4.351 10.728) 13.594 12.697 ( -11.617 2.458 2.569) 12.149 12.974 ( -4.162 -5.086 -7.006) 9.605 13.571 ( 14.265 3.252 5.435) 15.608 18.057 ( 2.022 1.557 6.673) 7.145 18.184 ( -7.901 -1.398 -9.711) 12.597 18.903 ( 5.408 -0.920 5.993) 8.125 19.588 ( 9.637 -2.383 -6.737) 11.997 20.663 ( -24.191 -0.133 -10.102) 26.216 22.323 ( 30.874 5.588 4.573) 31.707 23.376 ( -3.932 2.724 -2.748) 5.517 23.509 ( 0.003 -3.431 -1.070) 3.594 ======================= Grid point 478 (240/361) ======================= q-point: (-0.20 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( -18.398 -3.132 15.911) 24.524 2.970 ( -12.824 -7.587 -0.137) 14.901 3.149 ( 9.045 4.795 -1.612) 10.363 3.295 ( 17.707 1.447 0.957) 17.792 3.502 ( 6.073 -7.298 -3.965) 10.289 3.652 ( 0.032 1.210 2.869) 3.114 4.515 ( 4.834 2.498 -1.526) 5.651 4.658 ( 4.347 5.450 -7.336) 10.120 5.357 ( -14.730 -4.418 2.158) 15.529 5.575 ( -12.657 -2.245 -2.715) 13.139 5.969 ( -6.620 -0.184 5.403) 8.547 6.091 ( -6.968 9.246 5.870) 12.981 6.467 ( 2.900 -2.159 -0.281) 3.627 6.599 ( 3.047 -13.048 4.693) 14.197 6.864 ( 8.943 5.577 3.440) 11.087 7.197 ( 7.112 -4.643 7.264) 11.176 8.655 ( -18.972 -6.513 16.963) 26.269 8.959 ( -7.079 5.891 7.363) 11.791 9.094 ( -1.481 -1.560 5.008) 5.450 9.814 ( -5.081 -2.379 -7.027) 8.992 9.964 ( 3.032 -3.493 -4.810) 6.673 10.811 ( -5.701 12.092 3.744) 13.883 11.455 ( 13.583 -2.294 -14.514) 20.011 11.880 ( 18.334 5.102 -1.545) 19.094 12.425 ( -10.434 -4.778 11.034) 15.920 12.589 ( -4.551 3.575 2.263) 6.214 12.881 ( -4.945 -4.412 -4.612) 8.074 13.759 ( 13.687 6.245 0.443) 15.051 17.819 ( -11.417 0.482 -15.580) 19.322 18.276 ( 4.169 -0.084 11.037) 11.799 19.001 ( 4.361 6.401 2.572) 8.161 19.653 ( -0.126 0.918 0.038) 0.927 20.263 ( -12.897 -10.172 -15.992) 22.925 22.693 ( 23.868 9.722 4.719) 26.201 23.282 ( -1.332 2.541 -3.001) 4.152 23.597 ( 3.555 -4.752 5.529) 8.111 ======================= Grid point 479 (241/361) ======================= q-point: (-0.10 -0.50 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( -20.189 -5.535 16.304) 26.534 2.806 ( -17.021 -9.119 -2.215) 19.436 3.245 ( 8.776 2.150 0.057) 9.036 3.456 ( 7.421 3.769 -1.889) 8.535 3.504 ( -0.390 -3.913 -0.756) 4.005 3.813 ( 10.609 1.256 3.965) 11.395 4.539 ( -5.607 -0.042 4.630) 7.271 4.590 ( 10.815 7.056 -7.598) 14.983 5.150 ( -15.175 1.399 -1.377) 15.301 5.436 ( -8.552 -0.602 1.547) 8.712 5.908 ( -7.464 0.842 -0.056) 7.511 5.953 ( -7.699 12.571 4.347) 15.369 6.483 ( 0.617 -1.309 -2.622) 2.995 6.841 ( 4.503 -14.565 5.771) 16.301 6.904 ( 7.201 4.681 -2.299) 8.891 7.427 ( 2.434 -4.736 5.910) 7.955 8.598 ( -17.908 -4.320 8.404) 20.248 8.898 ( -7.307 5.271 8.737) 12.550 9.173 ( -1.493 -1.845 8.521) 8.846 9.680 ( -3.190 2.261 -5.681) 6.896 10.035 ( 4.130 -12.621 -3.295) 13.682 10.759 ( -0.341 5.410 7.600) 9.335 11.483 ( 12.213 -3.320 -14.869) 19.526 12.080 ( 16.184 3.803 -1.623) 16.704 12.423 ( -13.571 -3.817 10.056) 17.317 12.563 ( 1.205 4.144 3.770) 5.730 12.815 ( -3.250 -1.965 -1.498) 4.082 13.843 ( 13.225 10.340 -5.505) 17.667 17.491 ( -10.048 -0.104 -12.375) 15.941 18.476 ( 5.415 -0.148 11.348) 12.575 18.968 ( 1.815 9.952 -3.614) 10.742 19.496 ( -14.374 4.859 1.197) 15.220 20.187 ( 5.173 -17.253 -13.637) 22.592 22.895 ( 8.495 14.591 7.476) 18.465 23.238 ( 5.158 -2.379 -6.613) 8.718 23.808 ( 7.297 -2.301 10.768) 13.209 ======================= Grid point 486 (242/361) ======================= q-point: (-0.40 -0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( -19.070 0.000 11.993) 22.528 2.901 ( 11.817 -0.000 0.766) 11.842 2.974 ( 15.141 -0.000 9.964) 18.125 3.220 ( 15.827 -0.000 -8.189) 17.820 3.359 ( -22.829 0.000 0.772) 22.843 3.690 ( 1.954 -0.000 -0.602) 2.045 4.557 ( 11.213 -0.000 -9.505) 14.699 4.671 ( 5.147 -0.000 -2.749) 5.835 5.363 ( -10.199 0.000 6.720) 12.214 5.687 ( -10.871 0.000 1.374) 10.958 6.049 ( -9.713 0.000 1.371) 9.809 6.273 ( -0.627 0.000 3.924) 3.974 6.306 ( 0.753 -0.000 10.395) 10.423 6.338 ( 2.510 -0.000 5.788) 6.309 6.524 ( 10.784 -0.000 19.548) 22.325 7.175 ( 5.924 -0.000 -10.020) 11.640 8.577 ( -21.641 0.000 25.926) 33.771 9.022 ( -2.396 0.000 4.977) 5.524 9.055 ( -4.387 0.000 4.281) 6.130 9.970 ( -6.414 0.000 -14.720) 16.057 9.986 ( 1.179 -0.000 -1.628) 2.010 11.135 ( -9.160 0.000 -0.467) 9.172 11.367 ( 14.650 -0.000 -11.130) 18.399 11.807 ( 15.415 -0.000 -12.049) 19.566 12.336 ( -7.395 0.000 12.435) 14.467 12.723 ( -12.670 0.000 3.190) 13.065 12.916 ( -3.493 0.000 -7.023) 7.843 13.604 ( 14.084 -0.000 6.708) 15.600 18.075 ( 4.519 -0.000 10.683) 11.600 18.167 ( -11.207 0.000 -13.060) 17.209 18.893 ( 8.317 -0.000 8.557) 11.933 19.565 ( 10.201 -0.000 -8.735) 13.429 20.666 ( -25.003 0.000 -11.884) 27.684 22.373 ( 32.759 -0.000 3.939) 32.995 23.415 ( -4.317 0.000 0.309) 4.328 23.463 ( -1.422 0.000 -3.176) 3.479 ======================= Grid point 487 (243/361) ======================= q-point: (-0.30 -0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -20.205 -0.236 17.348) 26.632 2.853 ( -21.171 -4.340 -0.205) 21.612 3.223 ( 6.607 2.239 1.804) 7.205 3.327 ( 18.973 2.317 -3.689) 19.467 3.396 ( 15.989 -4.129 0.937) 16.540 3.675 ( -0.765 0.925 1.045) 1.592 4.585 ( 8.445 4.643 -5.428) 11.061 4.693 ( 3.601 -1.423 -5.740) 6.924 5.286 ( -13.290 -2.574 5.524) 14.620 5.524 ( -12.622 -2.164 -0.910) 12.838 5.946 ( -8.208 -1.047 3.012) 8.806 6.263 ( -3.455 8.224 6.184) 10.854 6.413 ( 4.606 -4.446 0.828) 6.455 6.438 ( -1.910 -4.237 5.244) 7.007 6.934 ( 15.268 1.668 12.073) 19.536 7.148 ( 7.240 -0.913 -7.184) 10.240 8.565 ( -23.787 -2.923 22.096) 32.598 9.036 ( -4.178 2.475 6.961) 8.488 9.073 ( -2.885 -0.705 6.485) 7.133 9.722 ( -8.504 -3.722 -10.934) 14.343 9.987 ( 4.481 1.733 -3.401) 5.887 10.988 ( -9.074 6.380 2.544) 11.380 11.416 ( 13.414 -1.760 -14.822) 20.068 11.929 ( 16.664 0.793 -4.700) 17.332 12.381 ( -8.306 -0.555 12.940) 15.386 12.638 ( -4.681 1.904 3.448) 6.118 12.798 ( -5.534 -3.716 -4.512) 8.049 13.840 ( 13.648 2.545 2.626) 14.129 17.823 ( -11.866 0.100 -16.128) 20.023 18.275 ( 3.833 -0.019 12.529) 13.102 19.099 ( 7.232 3.689 7.964) 11.373 19.631 ( 9.581 -2.018 -5.303) 11.135 20.157 ( -22.074 -2.376 -18.120) 28.657 22.804 ( 27.882 2.910 -1.656) 28.083 23.354 ( -3.270 4.825 2.188) 6.225 23.504 ( 2.021 -5.097 6.573) 8.560 ======================= Grid point 488 (244/361) ======================= q-point: (-0.20 -0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.305 ( -21.933 -0.272 18.499) 28.693 2.601 ( -23.263 -12.248 2.532) 26.412 3.274 ( -2.396 0.569 -4.560) 5.182 3.443 ( 7.514 -2.623 2.186) 8.254 3.577 ( 12.639 9.216 -1.130) 15.683 3.819 ( 12.412 -1.282 4.288) 13.194 4.567 ( -2.190 3.119 0.637) 3.864 4.678 ( 9.488 2.096 -9.084) 13.301 5.157 ( -14.650 0.013 3.451) 15.051 5.407 ( -6.855 -1.859 1.719) 7.307 5.895 ( -7.430 -1.522 2.695) 8.049 6.179 ( -5.392 11.771 4.422) 13.681 6.460 ( -1.132 -1.646 -1.066) 2.264 6.587 ( 6.869 -11.964 3.077) 14.135 7.033 ( 7.437 7.814 -4.642) 11.744 7.333 ( 10.060 -5.783 1.525) 11.704 8.485 ( -23.983 -6.121 13.178) 28.041 9.018 ( -5.212 6.403 7.682) 11.278 9.144 ( -3.525 -1.348 11.148) 11.769 9.574 ( -5.757 -8.874 -5.890) 12.107 9.997 ( 6.182 2.998 -3.835) 7.868 10.865 ( -6.874 5.682 5.610) 10.536 11.427 ( 11.903 -2.734 -15.454) 19.697 12.106 ( 14.148 -0.567 -3.441) 14.572 12.408 ( -9.683 2.188 12.415) 15.896 12.621 ( -0.322 2.437 3.020) 3.894 12.744 ( -3.138 -5.368 -0.800) 6.270 13.993 ( 13.926 6.185 -2.826) 15.498 17.488 ( -10.213 -0.155 -12.757) 16.342 18.474 ( 4.803 -0.093 10.812) 11.831 19.166 ( 3.293 11.894 -0.114) 12.342 19.561 ( -18.042 2.129 -1.841) 18.260 19.896 ( 8.923 -14.829 -14.838) 22.797 23.044 ( 18.373 1.743 -6.408) 19.537 23.288 ( -3.710 7.860 3.437) 9.346 23.754 ( 8.716 -3.596 13.889) 16.787 ======================= Grid point 489 (245/361) ======================= q-point: (-0.10 -0.40 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.188 ( -24.362 -6.177 13.515) 28.536 2.461 ( -21.781 -9.026 3.672) 23.862 3.173 ( -11.823 -10.436 4.543) 16.411 3.593 ( 5.288 2.380 0.925) 5.872 3.633 ( 13.582 11.602 0.205) 17.863 3.949 ( -0.622 2.580 2.268) 3.491 4.543 ( -2.146 2.214 5.767) 6.539 4.716 ( 12.443 3.882 -6.917) 14.756 4.996 ( -9.008 1.803 1.317) 9.280 5.395 ( -1.084 0.076 3.096) 3.281 5.793 ( -7.931 1.010 -2.641) 8.420 6.013 ( -6.989 14.117 1.890) 15.865 6.438 ( -1.857 -1.918 -0.494) 2.715 6.877 ( 8.027 -12.708 7.794) 16.932 7.011 ( 6.166 5.898 -4.590) 9.689 7.413 ( -0.378 -1.144 -5.543) 5.672 8.348 ( -21.695 -10.209 7.001) 24.978 8.970 ( -5.294 7.786 7.056) 11.766 9.257 ( -2.662 -1.429 12.752) 13.105 9.571 ( 0.784 -9.215 -3.546) 9.905 10.015 ( 4.003 1.127 -1.731) 4.505 10.845 ( -3.193 -0.120 6.522) 7.262 11.430 ( 10.678 -3.222 -14.791) 18.525 12.185 ( 3.706 -0.124 -5.761) 6.851 12.358 ( -11.556 3.321 8.792) 14.896 12.677 ( 4.441 2.038 1.965) 5.266 12.775 ( 1.227 -5.321 1.407) 5.639 14.045 ( 14.017 10.679 -8.343) 19.497 17.290 ( -4.692 0.278 -1.419) 4.910 18.667 ( 6.919 -2.302 5.856) 9.353 18.939 ( -8.427 9.152 -9.853) 15.870 19.393 ( -2.654 2.437 1.159) 3.785 20.028 ( 6.522 -12.409 -6.349) 15.389 23.136 ( -2.573 14.602 5.656) 15.869 23.216 ( 8.611 -3.824 -8.026) 12.377 24.066 ( 9.245 -0.182 12.606) 15.634 ======================= Grid point 497 (246/361) ======================= q-point: (-0.30 -0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.331 ( -19.461 0.000 22.443) 29.706 2.456 ( -28.645 0.000 0.481) 28.649 3.276 ( -7.742 0.000 -8.292) 11.344 3.419 ( 11.074 -0.000 4.613) 11.996 3.707 ( 18.490 -0.000 0.615) 18.500 3.771 ( 9.726 -0.000 3.730) 10.417 4.613 ( -4.613 0.000 -3.044) 5.527 4.679 ( 11.938 -0.000 -7.645) 14.176 5.158 ( -14.143 0.000 6.299) 15.482 5.389 ( -5.844 0.000 2.135) 6.222 5.878 ( -7.166 0.000 3.950) 8.183 6.348 ( -3.595 0.000 5.341) 6.438 6.378 ( -4.618 0.000 2.031) 5.045 6.484 ( 8.989 -0.000 -1.898) 9.187 7.129 ( 7.543 -0.000 -9.380) 12.037 7.257 ( 13.256 -0.000 3.103) 13.614 8.426 ( -26.270 0.000 14.573) 30.041 9.084 ( -4.433 0.000 8.749) 9.808 9.129 ( -4.461 0.000 11.267) 12.118 9.486 ( -6.850 0.000 -5.809) 8.981 10.030 ( 7.244 -0.000 -4.354) 8.452 10.923 ( -10.323 0.000 5.111) 11.519 11.400 ( 12.106 -0.000 -15.626) 19.767 12.094 ( 13.131 -0.000 -3.502) 13.590 12.447 ( -6.499 0.000 14.111) 15.536 12.657 ( -6.478 0.000 -1.307) 6.608 12.666 ( 1.484 -0.000 2.113) 2.582 14.049 ( 14.106 -0.000 -1.959) 14.242 17.487 ( -10.279 0.000 -12.861) 16.464 18.473 ( 4.580 -0.000 10.472) 11.429 19.311 ( 5.399 -0.000 8.091) 9.727 19.566 ( -25.429 0.000 -8.627) 26.852 19.740 ( 14.809 -0.000 -16.662) 22.292 23.046 ( 18.311 -0.000 -11.213) 21.472 23.384 ( -4.167 0.000 5.982) 7.290 23.710 ( 10.314 -0.000 16.071) 19.096 ======================= Grid point 498 (247/361) ======================= q-point: (-0.20 -0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -26.985 -2.623 6.865) 27.968 2.327 ( -22.601 -4.685 14.555) 27.287 3.049 ( -16.705 -3.457 3.447) 17.403 3.605 ( 8.044 0.182 2.805) 8.521 3.840 ( 11.847 9.265 -1.600) 15.124 3.959 ( 1.926 -1.784 3.816) 4.632 4.555 ( 1.812 -0.307 1.756) 2.542 4.763 ( 12.847 1.308 -6.575) 14.491 5.028 ( -12.652 1.380 4.485) 13.494 5.394 ( 0.716 -0.042 2.844) 2.934 5.803 ( -7.274 0.186 -2.093) 7.571 6.233 ( -5.890 10.593 1.476) 12.210 6.383 ( -4.277 -5.171 1.323) 6.840 6.700 ( 13.948 -5.983 5.732) 16.223 7.108 ( 7.128 3.981 -7.780) 11.278 7.381 ( 5.900 -1.822 -6.417) 8.905 8.197 ( -27.930 -5.190 7.779) 29.453 9.094 ( -5.708 5.355 8.285) 11.398 9.219 ( -5.113 -2.896 13.276) 14.518 9.419 ( -1.090 -4.930 -1.166) 5.182 10.077 ( 7.982 2.776 -3.678) 9.217 10.851 ( -8.947 0.449 6.373) 10.994 11.389 ( 11.273 -1.304 -14.189) 18.169 12.177 ( 4.947 -0.212 -5.194) 7.176 12.457 ( -8.186 6.873 7.750) 13.203 12.633 ( -2.656 -7.581 3.999) 8.974 12.717 ( 3.857 0.300 -1.002) 3.997 14.175 ( 14.703 3.840 -7.795) 17.079 17.294 ( -3.908 0.090 -0.295) 3.921 18.635 ( 6.656 -1.042 0.878) 6.794 19.076 ( -18.177 4.899 -8.546) 20.675 19.438 ( 1.538 2.328 4.263) 5.095 19.840 ( 10.686 -7.283 -6.979) 14.694 23.134 ( 13.680 -2.041 -10.511) 17.372 23.368 ( -5.860 7.205 7.651) 12.033 24.054 ( 11.280 -0.805 12.343) 16.740 ======================= Grid point 499 (248/361) ======================= q-point: (-0.10 -0.30 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -22.596 -9.049 12.929) 27.561 2.055 ( -31.809 -6.020 -0.378) 32.376 3.087 ( -10.693 -8.020 24.074) 27.536 3.662 ( 0.077 3.094 -0.622) 3.157 3.879 ( 3.482 8.268 -3.243) 9.540 3.925 ( -2.801 2.012 3.013) 4.579 4.665 ( -1.601 8.375 7.860) 11.597 4.822 ( 10.835 1.866 -5.165) 12.147 4.978 ( 4.854 -1.468 1.251) 5.223 5.445 ( 2.950 0.025 0.327) 2.968 5.617 ( -8.260 -0.875 -7.849) 11.429 6.061 ( -4.802 12.588 -0.083) 13.473 6.420 ( -2.196 -1.927 7.318) 7.880 7.010 ( 1.769 -0.282 7.213) 7.432 7.082 ( 10.554 1.015 -3.058) 11.035 7.291 ( -2.676 2.450 -11.862) 12.404 8.011 ( -22.213 -15.762 8.269) 28.465 9.036 ( -6.404 7.717 6.069) 11.722 9.360 ( -1.698 -4.233 12.734) 13.526 9.470 ( 2.278 -9.228 -3.228) 10.039 10.100 ( 4.295 6.930 -0.802) 8.192 10.816 ( -7.708 -4.107 3.944) 9.583 11.394 ( 10.504 -0.851 -12.157) 16.088 12.109 ( -4.526 0.994 -4.894) 6.740 12.339 ( -9.744 5.163 4.530) 11.922 12.693 ( 0.703 -3.913 -6.141) 7.315 12.778 ( 3.984 -5.065 2.576) 6.940 14.199 ( 14.070 7.675 -13.132) 20.720 17.400 ( 7.865 3.705 14.861) 17.217 18.566 ( -1.163 -5.511 -19.950) 20.730 18.934 ( -0.721 5.184 10.579) 11.803 19.459 ( 3.352 3.663 0.399) 4.981 19.951 ( 3.457 -8.648 -3.955) 10.118 23.225 ( 8.332 -0.808 -6.302) 10.478 23.255 ( -5.882 12.696 4.953) 14.843 24.276 ( 4.811 -1.082 3.590) 6.100 ======================= Grid point 508 (249/361) ======================= q-point: (-0.20 -0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.841 ( -23.225 0.000 11.962) 26.124 2.000 ( -33.679 0.000 -0.059) 33.679 3.017 ( -12.023 0.000 27.190) 29.730 3.688 ( 1.351 -0.000 -0.910) 1.629 3.927 ( -12.256 0.000 4.515) 13.061 3.977 ( 9.816 -0.000 -5.044) 11.036 4.748 ( 16.486 -0.000 7.286) 18.024 4.823 ( -2.369 0.000 -1.614) 2.866 4.972 ( 3.781 -0.000 -0.200) 3.786 5.444 ( 3.313 -0.000 -1.844) 3.791 5.608 ( -9.320 0.000 -9.207) 13.101 6.199 ( -3.313 0.000 -5.220) 6.183 6.384 ( -3.735 0.000 14.005) 14.494 6.988 ( 15.463 -0.000 10.569) 18.730 7.123 ( 7.032 -0.000 -8.853) 11.306 7.312 ( 1.104 -0.000 -13.397) 13.442 7.847 ( -31.691 0.000 10.138) 33.273 9.129 ( -6.768 0.000 6.893) 9.660 9.276 ( -2.918 0.000 10.401) 10.802 9.406 ( 0.397 -0.000 1.026) 1.101 10.170 ( 8.531 -0.000 -2.769) 8.970 10.779 ( -11.839 0.000 4.746) 12.755 11.388 ( 11.228 -0.000 -11.267) 15.906 12.126 ( -2.149 0.000 -6.334) 6.689 12.420 ( -11.374 0.000 -0.632) 11.392 12.580 ( -1.556 0.000 2.811) 3.213 12.764 ( 4.428 -0.000 -1.484) 4.670 14.267 ( 14.369 -0.000 -13.882) 19.979 17.435 ( 10.357 -0.000 16.994) 19.901 18.512 ( -2.384 0.000 -21.622) 21.753 18.983 ( -2.142 0.000 12.690) 12.869 19.511 ( -0.423 0.000 1.813) 1.862 19.854 ( 7.328 -0.000 -6.513) 9.804 23.189 ( 12.656 -0.000 -8.820) 15.426 23.410 ( -7.614 0.000 8.841) 11.668 24.258 ( 5.280 -0.000 0.808) 5.342 ======================= Grid point 509 (250/361) ======================= q-point: (-0.10 -0.20 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -30.913 -4.942 6.202) 31.914 1.778 ( -16.392 -5.829 19.160) 25.881 3.268 ( -8.597 -2.512 33.209) 34.395 3.622 ( -5.813 1.830 -2.939) 6.766 3.777 ( -11.952 0.967 2.108) 12.175 4.029 ( 9.665 2.524 -7.358) 12.406 4.706 ( -7.584 7.076 2.012) 10.565 4.994 ( 7.685 6.504 -3.032) 10.515 5.097 ( 10.339 -4.985 0.065) 11.478 5.322 ( -3.356 -3.549 -6.182) 7.878 5.575 ( 7.713 -0.960 2.128) 8.059 6.088 ( 0.431 6.410 -3.504) 7.318 6.536 ( -3.155 0.109 16.832) 17.126 6.966 ( -10.769 11.849 -12.893) 20.557 7.106 ( 0.394 -2.412 -13.310) 13.532 7.319 ( 7.621 4.588 12.489) 15.333 7.715 ( -18.243 -18.590 17.265) 31.249 9.080 ( -5.296 6.097 4.750) 9.369 9.371 ( 1.433 -6.636 -3.990) 7.874 9.453 ( -0.839 -3.443 10.115) 10.718 10.207 ( 2.901 8.537 -1.930) 9.221 10.637 ( -14.542 -7.418 -0.059) 16.324 11.418 ( 10.129 0.941 -8.682) 13.374 11.976 ( -6.810 1.501 -6.262) 9.373 12.241 ( -10.751 -1.017 0.941) 10.840 12.610 ( 0.412 -2.599 -0.626) 2.705 12.814 ( 3.676 -1.945 -0.542) 4.194 14.241 ( 12.264 3.476 -18.624) 22.569 17.894 ( 21.387 9.415 19.143) 30.207 18.283 ( 3.315 -8.916 -15.630) 18.297 19.126 ( 1.237 7.350 10.864) 13.175 19.493 ( 0.284 -3.288 -1.390) 3.581 19.875 ( 3.444 -3.947 -6.027) 7.985 23.273 ( 11.586 -1.941 -7.114) 13.734 23.332 ( -10.448 13.916 7.140) 18.810 24.194 ( -8.152 -5.080 -10.670) 14.357 ======================= Grid point 519 (251/361) ======================= q-point: (-0.10 -0.10 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -9.606 0.000 21.065) 23.152 1.846 ( -8.621 0.000 25.164) 26.600 3.477 ( -8.499 0.000 -5.485) 10.115 3.501 ( -18.892 0.000 35.091) 39.853 3.721 ( 7.256 -0.000 -1.751) 7.465 4.044 ( 6.905 -0.000 -11.265) 13.213 4.685 ( -4.623 0.000 2.357) 5.189 4.919 ( -3.177 0.000 -11.143) 11.587 5.115 ( 5.146 -0.000 -2.091) 5.554 5.358 ( -2.093 0.000 6.741) 7.059 5.820 ( 20.496 -0.000 4.614) 21.009 6.129 ( 5.782 -0.000 -1.468) 5.965 6.461 ( -24.328 0.000 -7.146) 25.356 6.821 ( -3.711 0.000 10.479) 11.117 6.974 ( 1.027 -0.000 -12.119) 12.162 7.576 ( -19.379 0.000 24.199) 31.003 7.660 ( 7.583 -0.000 14.644) 16.491 9.099 ( -2.046 0.000 2.053) 2.898 9.267 ( -1.345 0.000 -8.319) 8.427 9.567 ( 0.719 -0.000 11.854) 11.875 10.283 ( 4.042 -0.000 -4.547) 6.084 10.311 ( -20.661 0.000 0.222) 20.662 11.450 ( 6.904 -0.000 -8.247) 10.755 11.800 ( -6.624 0.000 -7.454) 9.972 12.152 ( -6.821 0.000 7.291) 9.984 12.626 ( 3.145 -0.000 -0.399) 3.170 12.837 ( 2.291 -0.000 -1.053) 2.521 14.166 ( 9.393 -0.000 -21.025) 23.028 18.064 ( 4.041 -0.000 -14.666) 15.212 18.570 ( 30.391 -0.000 13.785) 33.371 19.327 ( -4.781 0.000 13.097) 13.943 19.348 ( -5.223 0.000 -7.579) 9.205 19.890 ( 12.468 -0.000 -4.648) 13.307 23.329 ( 9.408 -0.000 -7.663) 12.134 23.358 ( -9.682 0.000 6.942) 11.914 23.735 ( -24.950 0.000 -17.513) 30.483 ======================= Grid point 520 (252/361) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( 7.373 -0.000 12.347) 14.381 2.795 ( -1.377 0.000 1.917) 2.361 3.126 ( 2.343 -0.000 13.980) 14.175 3.547 ( 0.237 -0.000 -10.557) 10.560 3.757 ( 0.116 -0.000 -15.152) 15.152 4.005 ( 0.730 -0.000 -0.632) 0.966 4.332 ( 1.091 -0.000 -5.175) 5.289 4.409 ( -7.601 0.000 -4.701) 8.938 5.570 ( 3.187 -0.000 11.283) 11.724 5.669 ( -7.333 0.000 13.966) 15.774 5.993 ( -5.455 0.000 3.402) 6.429 6.266 ( 2.475 -0.000 -4.182) 4.860 6.315 ( 7.769 -0.000 -2.030) 8.030 6.479 ( 0.366 -0.000 -7.030) 7.040 7.317 ( -6.712 0.000 21.387) 22.415 8.146 ( -4.751 0.000 -0.070) 4.751 8.457 ( -9.745 0.000 25.004) 26.836 8.950 ( 0.430 -0.000 -4.366) 4.387 9.041 ( 2.970 -0.000 1.929) 3.541 9.881 ( -0.133 0.000 -15.128) 15.128 9.995 ( -12.014 0.000 17.731) 21.418 10.472 ( 9.154 -0.000 13.845) 16.597 10.949 ( 0.638 -0.000 -14.833) 14.847 11.408 ( 0.611 -0.000 -11.072) 11.089 12.382 ( -5.022 0.000 4.422) 6.691 12.622 ( 9.989 -0.000 -6.817) 12.094 12.913 ( -3.142 0.000 7.060) 7.727 13.619 ( 5.357 -0.000 -12.859) 13.930 17.900 ( 9.186 -0.000 -1.481) 9.305 18.416 ( -9.269 0.000 -15.610) 18.155 19.299 ( -17.754 0.000 6.902) 19.048 19.502 ( 13.182 -0.000 -0.889) 13.212 20.824 ( 27.208 -0.000 16.322) 31.728 22.057 ( -28.421 0.000 -19.721) 34.593 23.279 ( -7.574 0.000 1.762) 7.776 23.401 ( 8.925 -0.000 -3.878) 9.731 ======================= Grid point 521 (253/361) ======================= q-point: ( 0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 11.472 -0.018 9.655) 14.994 2.733 ( 1.388 -0.170 -7.958) 8.080 3.331 ( 0.455 7.024 8.389) 10.951 3.468 ( 1.704 5.165 2.731) 6.087 3.572 ( -1.847 -3.432 -8.979) 9.789 3.889 ( -3.565 -0.545 -12.306) 12.823 4.254 ( -7.137 -1.178 -2.845) 7.773 4.415 ( 6.454 -2.982 2.688) 7.600 5.684 ( -6.343 1.066 11.184) 12.902 5.734 ( -9.927 -3.961 10.812) 15.203 5.920 ( -3.709 -0.673 -4.350) 5.756 6.182 ( -5.477 -0.536 -4.188) 6.915 6.390 ( 5.859 -0.347 -0.143) 5.871 6.444 ( 4.639 0.092 -6.053) 7.627 7.511 ( -3.287 4.777 24.856) 25.523 7.905 ( -8.828 18.776 -3.583) 21.055 8.642 ( -11.532 -14.688 13.879) 23.267 8.935 ( 1.576 -1.264 -1.483) 2.506 9.146 ( 3.391 -0.105 6.852) 7.646 9.672 ( -1.647 2.138 -13.211) 13.484 10.130 ( -2.800 -3.336 18.432) 18.940 10.741 ( 4.668 6.713 -1.440) 8.302 10.883 ( 12.261 -8.883 2.081) 15.283 11.306 ( 9.146 2.964 -14.677) 17.546 12.359 ( -5.958 -4.641 1.591) 7.718 12.688 ( 8.060 -3.414 -5.903) 10.558 12.941 ( -6.262 1.600 9.167) 11.217 13.521 ( 3.822 1.991 -12.749) 13.458 18.033 ( 7.647 0.678 2.892) 8.204 18.110 ( -8.593 -1.417 -13.547) 16.105 19.135 ( -16.338 1.083 5.912) 17.408 19.612 ( 4.409 0.669 -0.381) 4.476 21.338 ( 2.217 9.411 5.120) 10.941 21.513 ( 0.022 -8.246 -6.664) 10.602 23.225 ( -3.584 -1.530 0.669) 3.954 23.492 ( 9.698 -0.138 -2.605) 10.043 ======================= Grid point 522 (254/361) ======================= q-point: ( 0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.648 ( 1.424 -0.883 -6.555) 6.766 2.819 ( 11.754 -1.076 4.374) 12.587 3.259 ( -1.007 8.359 1.128) 8.495 3.392 ( -0.620 3.281 -4.464) 5.575 3.670 ( 0.857 4.567 9.758) 10.808 3.700 ( -2.190 -2.814 -10.911) 11.479 4.184 ( -1.508 -3.462 -0.330) 3.791 4.576 ( 5.665 -3.304 4.253) 7.816 5.559 ( -22.615 -2.816 2.392) 22.915 5.709 ( -9.868 -1.066 4.637) 10.955 5.869 ( -3.026 -2.222 -0.322) 3.769 6.067 ( -7.189 -1.535 -1.641) 7.532 6.412 ( 4.880 0.278 -7.128) 8.643 6.517 ( 7.513 -2.729 0.419) 8.005 7.567 ( -6.602 19.293 -1.933) 20.483 7.699 ( -1.945 10.094 19.199) 21.778 8.697 ( -12.334 -10.425 6.135) 17.276 8.976 ( 0.048 -4.400 1.823) 4.763 9.268 ( 0.261 2.492 9.913) 10.224 9.507 ( -2.996 -5.722 -11.591) 13.269 10.381 ( 3.894 -1.654 16.696) 17.224 10.636 ( 5.122 11.087 -6.582) 13.874 11.240 ( 15.544 0.842 -11.096) 19.117 11.305 ( 18.317 -4.590 3.633) 19.230 12.349 ( -4.725 -7.875 0.416) 9.194 12.753 ( 3.629 -6.697 -5.146) 9.192 12.921 ( -10.068 3.716 10.425) 14.962 13.405 ( 4.602 0.766 -13.074) 13.882 17.819 ( -10.306 -0.997 -11.745) 15.657 18.231 ( 8.008 -1.003 8.190) 11.498 18.973 ( -12.710 1.954 3.306) 13.277 19.618 ( -4.959 -1.751 1.911) 5.595 20.870 ( -12.286 8.903 -20.114) 25.195 22.014 ( 19.275 -7.297 18.151) 27.464 23.215 ( 0.872 -0.014 -0.694) 1.114 23.610 ( 9.526 -0.238 -0.067) 9.530 ======================= Grid point 523 (255/361) ======================= q-point: (-0.70 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.617 ( 0.128 -7.518 -5.966) 9.598 2.916 ( -3.434 4.576 4.438) 7.240 3.234 ( 0.600 3.734 -6.101) 7.178 3.350 ( 5.416 1.279 3.611) 6.634 3.615 ( 1.871 -4.139 -3.033) 5.462 3.735 ( 0.888 7.682 6.081) 9.838 4.264 ( 7.025 -2.480 1.209) 7.548 4.706 ( 1.335 -0.838 5.402) 5.627 5.277 ( -20.797 -3.009 -0.953) 21.035 5.577 ( -14.787 -1.914 1.180) 14.957 5.831 ( -6.914 -4.541 0.393) 8.281 5.966 ( -8.364 -2.417 -0.434) 8.717 6.400 ( 6.522 -0.152 -7.527) 9.960 6.658 ( 7.497 -3.486 0.481) 8.282 7.328 ( -1.700 17.363 -0.297) 17.449 7.744 ( -3.561 11.979 9.654) 15.791 8.677 ( -10.873 -8.179 4.867) 14.450 9.036 ( -3.801 -4.350 4.728) 7.465 9.310 ( -5.043 -0.974 3.688) 6.323 9.443 ( -1.143 -6.719 -2.398) 7.225 10.482 ( 6.760 19.756 -1.816) 20.959 10.690 ( 5.834 -1.232 11.642) 13.080 11.238 ( 16.937 3.127 -18.101) 24.986 11.703 ( 17.907 -5.854 4.393) 19.345 12.394 ( 0.156 -7.672 1.774) 7.876 12.751 ( -2.408 -3.338 -5.025) 6.496 12.861 ( -11.902 2.602 10.884) 16.337 13.365 ( 7.563 -7.049 -11.294) 15.311 17.557 ( -10.584 0.075 -8.042) 13.292 18.461 ( 6.718 -1.505 10.457) 12.520 18.840 ( -6.798 0.837 -0.601) 6.875 19.557 ( -12.557 -5.138 3.076) 13.912 20.453 ( -1.401 11.024 -18.470) 21.555 22.503 ( 10.260 -9.724 15.535) 21.004 23.221 ( 5.754 4.728 -2.794) 7.954 23.770 ( 9.009 -1.634 4.719) 10.300 ======================= Grid point 524 (256/361) ======================= q-point: (-0.60 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( -7.754 -8.081 -2.622) 11.502 2.835 ( -10.993 5.654 7.718) 14.573 3.145 ( 4.903 -2.335 -6.722) 8.641 3.466 ( 1.888 0.622 2.476) 3.175 3.695 ( 2.400 3.495 5.723) 7.122 3.757 ( 5.513 -0.365 -0.692) 5.568 4.419 ( 11.233 -0.807 0.421) 11.270 4.729 ( -7.915 2.406 7.111) 10.909 5.069 ( -13.224 -4.037 1.492) 13.907 5.425 ( -8.820 -3.207 -0.518) 9.399 5.770 ( -8.405 -7.047 -1.976) 11.145 5.869 ( -7.862 -2.995 -0.114) 8.414 6.417 ( 5.601 -0.215 -4.030) 6.903 6.781 ( 5.628 -3.615 -0.811) 6.738 7.197 ( 2.953 14.275 -0.894) 14.605 7.631 ( -7.324 10.479 2.438) 13.015 8.655 ( -11.035 -6.660 4.534) 13.663 9.032 ( -9.580 -2.476 6.125) 11.637 9.326 ( -0.776 -7.421 1.588) 7.628 9.489 ( -0.353 -1.807 3.952) 4.359 10.349 ( 4.644 22.762 -1.044) 23.254 10.899 ( 4.449 0.982 9.705) 10.721 11.217 ( 15.758 3.628 -18.950) 24.911 11.955 ( 10.035 -5.701 -2.765) 11.868 12.509 ( 3.333 -3.112 1.285) 4.738 12.649 ( -7.183 0.966 -0.911) 7.304 12.838 ( -4.539 -0.089 8.266) 9.430 13.463 ( 8.777 -14.388 -8.362) 18.814 17.364 ( -8.026 0.279 -0.835) 8.074 18.650 ( -0.690 -7.874 1.765) 8.099 18.758 ( 3.566 6.542 -0.800) 7.493 19.442 ( -11.988 -3.767 1.102) 12.614 20.216 ( 4.083 9.027 -9.834) 13.959 22.810 ( -2.785 -14.371 9.313) 17.350 23.225 ( 11.274 10.982 -4.596) 16.396 24.004 ( 8.686 -3.365 9.561) 13.348 ======================= Grid point 525 (257/361) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.458 ( -14.187 1.099 0.571) 14.241 2.665 ( -21.476 8.297 10.224) 25.191 3.287 ( 14.086 -10.679 -4.932) 18.352 3.447 ( -0.283 3.783 -0.254) 3.802 3.747 ( 2.532 8.311 7.280) 11.335 3.857 ( 0.613 -11.217 -0.853) 11.266 4.579 ( 9.431 0.987 -1.819) 9.656 4.655 ( -13.713 -5.121 8.485) 16.919 5.014 ( -2.506 0.530 5.290) 5.878 5.401 ( 0.780 -2.790 0.099) 2.898 5.659 ( -6.843 -2.645 -5.444) 9.136 5.824 ( -5.807 -7.460 0.249) 9.457 6.466 ( 2.444 -1.386 2.163) 3.546 6.844 ( 1.933 -3.550 -3.435) 5.305 7.103 ( 3.989 7.568 -7.989) 11.705 7.476 ( -8.531 8.231 6.396) 13.470 8.567 ( -12.257 0.480 3.881) 12.866 9.019 ( -9.276 -4.717 8.902) 13.695 9.433 ( 2.195 -6.073 3.399) 7.298 9.538 ( 1.060 0.547 1.359) 1.808 10.207 ( 0.227 17.727 2.740) 17.939 11.006 ( 0.884 4.411 4.808) 6.584 11.166 ( 14.495 3.332 -17.916) 23.285 12.046 ( 3.058 -4.512 -4.198) 6.880 12.489 ( -8.741 2.086 3.426) 9.617 12.568 ( -1.042 -3.356 -4.513) 5.720 12.921 ( 3.599 3.422 5.361) 7.308 13.630 ( 9.865 -14.864 -8.359) 19.701 17.350 ( -1.482 -2.745 8.857) 9.390 18.528 ( -2.608 -1.721 -17.322) 17.601 18.853 ( 4.941 2.696 5.674) 7.992 19.377 ( -1.299 -1.213 1.166) 2.126 20.136 ( 1.702 5.524 -1.768) 6.045 22.929 ( -11.076 -18.458 4.640) 22.020 23.231 ( 12.944 12.847 -4.991) 18.908 24.249 ( 5.539 -2.661 8.169) 10.222 ======================= Grid point 526 (258/361) ======================= q-point: (-0.40 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.219 ( -19.565 9.488 4.231) 22.152 2.398 ( -19.860 10.847 14.018) 26.620 3.428 ( 4.562 1.652 -0.564) 4.884 3.528 ( 6.887 -10.141 -1.671) 12.372 3.772 ( 7.123 6.488 -2.470) 9.946 3.946 ( -9.206 -11.719 8.353) 17.084 4.494 ( -11.985 -9.261 -3.952) 15.653 4.772 ( 2.223 -5.201 6.345) 8.501 5.117 ( 10.169 6.350 6.420) 13.600 5.420 ( -1.666 0.217 -2.563) 3.065 5.556 ( 1.986 2.078 -1.780) 3.381 5.833 ( -1.807 -8.553 -1.474) 8.865 6.577 ( -0.296 -4.945 9.987) 11.148 6.788 ( -5.901 -5.231 -9.291) 12.187 6.994 ( 1.866 0.182 -10.157) 10.329 7.429 ( -5.922 4.248 11.543) 13.651 8.448 ( -7.819 9.826 8.777) 15.321 9.046 ( -9.404 -5.292 9.142) 14.143 9.507 ( 1.674 5.987 -5.772) 8.483 9.555 ( 2.136 -4.253 3.955) 6.188 10.133 ( -4.389 6.292 7.463) 10.703 10.941 ( -0.141 7.654 -5.665) 9.523 11.172 ( 11.118 0.847 -8.668) 14.123 12.014 ( -3.126 -0.365 -4.803) 5.742 12.405 ( -8.099 0.955 4.965) 9.547 12.540 ( 0.393 -3.597 -4.248) 5.580 12.956 ( 1.903 7.180 2.192) 7.745 13.759 ( 9.995 -10.425 -12.924) 19.381 17.576 ( 6.198 -7.937 12.935) 16.393 18.305 ( 4.412 3.844 -16.090) 17.121 18.939 ( -0.077 -4.354 1.876) 4.742 19.446 ( 8.758 1.509 0.878) 8.931 20.078 ( -2.748 6.011 0.432) 6.624 22.981 ( -13.052 -21.458 3.562) 25.367 23.231 ( 10.870 10.340 -5.674) 16.040 24.344 ( -1.734 1.457 0.648) 2.355 ======================= Grid point 527 (259/361) ======================= q-point: (-0.30 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -17.367 12.977 12.555) 25.053 2.308 ( -10.636 8.780 19.211) 23.649 3.461 ( -0.885 -3.644 -4.250) 5.668 3.573 ( 0.078 -0.034 -1.030) 1.033 3.821 ( 13.003 1.200 -9.712) 16.274 3.988 ( -15.767 -5.772 15.513) 22.859 4.408 ( -4.865 -15.267 -7.839) 17.839 4.906 ( -0.090 -4.508 4.840) 6.615 5.164 ( 1.819 8.702 -4.654) 10.035 5.451 ( 4.574 1.878 10.914) 11.982 5.623 ( 12.981 3.027 -1.037) 13.370 5.903 ( 4.359 -6.988 -0.975) 8.293 6.561 ( -14.879 -6.541 -11.312) 19.802 6.785 ( -0.796 -8.336 14.454) 16.705 6.902 ( -0.591 -0.882 -7.756) 7.828 7.500 ( -5.087 -4.789 12.238) 14.092 8.400 ( -3.369 16.897 15.628) 23.261 9.066 ( -6.816 -3.411 6.647) 10.113 9.356 ( -0.605 7.866 -9.016) 11.980 9.664 ( 0.948 -5.310 4.258) 6.872 10.113 ( -9.311 -0.083 7.841) 12.173 10.770 ( -1.536 10.807 -6.895) 12.911 11.227 ( 8.812 -1.648 -6.798) 11.251 11.866 ( -7.222 1.831 -5.951) 9.535 12.360 ( -5.362 3.016 6.324) 8.822 12.547 ( 1.208 -2.965 -1.932) 3.740 12.921 ( 0.399 7.348 0.982) 7.425 13.782 ( 9.356 -6.089 -17.207) 20.511 17.795 ( 5.276 -5.733 -5.797) 9.711 18.363 ( 19.008 0.214 5.630) 19.825 18.971 ( -5.480 -11.667 -2.144) 13.067 19.606 ( 16.642 4.784 1.683) 17.398 19.946 ( -7.358 8.544 -0.321) 11.280 23.029 ( -16.590 -25.198 2.943) 30.312 23.220 ( 11.029 8.073 -7.249) 15.471 24.174 ( -10.848 8.481 -6.782) 15.349 ======================= Grid point 528 (260/361) ======================= q-point: (-0.20 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( -4.433 6.957 17.636) 19.471 2.392 ( -5.232 5.300 23.690) 24.833 3.318 ( -9.552 -2.594 -7.533) 12.438 3.630 ( 8.062 -2.952 -4.293) 9.599 3.820 ( 6.553 2.618 -8.440) 11.001 4.005 ( -9.875 -0.374 11.455) 15.128 4.414 ( -0.953 -15.834 -9.600) 18.542 4.848 ( -4.870 6.564 -5.923) 10.094 5.175 ( 4.673 0.320 7.224) 8.610 5.566 ( -2.451 3.392 10.617) 11.412 5.876 ( 21.594 0.463 1.293) 21.638 6.041 ( 7.826 -4.982 -0.124) 9.278 6.274 ( -15.774 -3.247 -5.612) 17.055 6.760 ( -2.812 0.054 -9.436) 9.847 7.040 ( -3.396 -8.119 15.534) 17.854 7.666 ( -6.077 -15.512 14.729) 22.237 8.412 ( -2.557 20.485 19.977) 28.728 9.062 ( -2.344 -0.097 -0.341) 2.370 9.177 ( -1.830 5.802 -6.458) 8.872 9.794 ( 0.489 -10.485 4.850) 11.563 10.051 ( -14.052 -1.100 8.705) 16.567 10.555 ( -1.616 15.763 -5.257) 16.694 11.243 ( 4.277 -1.989 -10.521) 11.531 11.678 ( -7.652 0.430 -4.969) 9.134 12.359 ( -3.406 4.214 8.721) 10.267 12.564 ( 3.764 -0.772 -3.961) 5.519 12.881 ( -0.071 4.471 1.329) 4.665 13.739 ( 8.792 -3.689 -17.470) 19.903 17.792 ( 7.005 -1.819 -9.909) 12.270 18.759 ( 19.338 2.084 3.344) 19.735 18.961 ( -5.256 -18.724 -2.714) 19.636 19.728 ( -11.906 9.831 0.802) 15.461 19.878 ( 23.201 4.772 5.327) 24.279 22.974 ( -20.828 -21.454 -5.852) 30.468 23.247 ( 9.456 1.436 -4.965) 10.776 23.783 ( -15.691 14.859 -6.718) 22.630 ======================= Grid point 529 (261/361) ======================= q-point: (-0.10 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 2.932 1.760 15.726) 16.093 2.620 ( -0.377 0.730 23.700) 23.714 3.130 ( -6.427 -1.745 -6.604) 9.379 3.656 ( 2.416 -4.627 -11.946) 13.037 3.826 ( 12.615 4.580 -7.461) 15.355 3.983 ( -7.639 0.056 6.604) 10.098 4.400 ( -1.954 -11.850 -10.449) 15.919 4.619 ( -5.716 8.962 -7.136) 12.803 5.366 ( 4.875 -1.012 11.510) 12.541 5.618 ( -5.118 2.980 11.987) 13.370 6.039 ( -7.832 0.014 3.035) 8.399 6.172 ( 12.137 -2.460 0.250) 12.386 6.210 ( 10.068 0.157 -2.360) 10.342 6.602 ( -3.783 -0.662 -8.938) 9.728 7.191 ( -7.416 -3.206 15.514) 17.492 7.956 ( -4.267 -23.946 14.296) 28.213 8.422 ( -5.112 22.603 21.936) 31.909 9.004 ( -0.465 -0.682 -4.615) 4.689 9.059 ( -0.445 4.983 -3.571) 6.146 9.943 ( -0.467 -16.203 -7.065) 17.682 9.994 ( -13.327 1.275 18.127) 22.535 10.360 ( 1.204 17.094 1.835) 17.235 11.123 ( 0.297 0.043 -14.480) 14.483 11.536 ( -5.053 -1.862 -6.316) 8.300 12.382 ( -3.444 3.209 7.807) 9.116 12.580 ( 8.136 1.048 -6.468) 10.447 12.879 ( -1.159 0.993 3.753) 4.051 13.684 ( 7.428 -2.072 -14.896) 16.774 17.817 ( 8.740 -0.684 -5.983) 10.613 18.700 ( -6.760 -2.374 -13.459) 15.248 19.243 ( 15.326 -7.796 2.896) 17.437 19.495 ( -14.107 6.474 3.763) 15.971 20.293 ( 26.757 2.558 11.311) 29.162 22.642 ( -27.541 -9.461 -16.855) 33.647 23.314 ( 5.661 -2.125 -2.892) 6.702 23.439 ( -9.349 9.899 -0.591) 13.629 ======================= Grid point 531 (262/361) ======================= q-point: ( 0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( 2.112 -0.000 -11.195) 11.393 2.808 ( 11.795 -0.000 7.052) 13.742 3.370 ( -1.885 0.000 1.918) 2.689 3.394 ( -1.699 0.000 -6.103) 6.336 3.652 ( -3.810 0.000 -16.285) 16.725 3.736 ( 3.318 -0.000 15.452) 15.805 4.152 ( -2.333 0.000 1.399) 2.721 4.530 ( 5.591 -0.000 3.063) 6.375 5.538 ( -23.298 0.000 4.751) 23.777 5.697 ( -9.898 0.000 4.233) 10.765 5.850 ( -2.070 0.000 -1.513) 2.564 6.052 ( -7.619 0.000 -1.597) 7.785 6.419 ( 5.299 -0.000 -8.506) 10.021 6.487 ( 6.882 -0.000 1.482) 7.040 7.778 ( -8.569 0.000 -7.563) 11.429 7.781 ( -4.566 0.000 23.425) 23.866 8.579 ( -11.474 0.000 11.885) 16.519 8.933 ( 2.848 -0.000 -2.658) 3.895 9.293 ( 1.407 -0.000 10.792) 10.884 9.452 ( -5.099 0.000 -14.953) 15.799 10.358 ( 3.979 -0.000 19.161) 19.569 10.767 ( 11.422 -0.000 -10.769) 15.698 11.202 ( 16.377 -0.000 14.981) 22.195 11.299 ( 14.724 -0.000 -17.087) 22.555 12.270 ( -4.831 0.000 0.780) 4.894 12.688 ( 4.355 -0.000 -5.855) 7.297 12.955 ( -9.975 0.000 10.244) 14.299 13.414 ( 3.131 -0.000 -14.369) 14.706 17.810 ( -10.056 0.000 -11.572) 15.331 18.222 ( 8.286 -0.000 7.900) 11.449 18.993 ( -14.031 0.000 4.617) 14.771 19.599 ( -7.585 0.000 2.045) 7.856 20.957 ( -9.843 0.000 -24.371) 26.283 21.943 ( 17.368 -0.000 21.595) 27.713 23.216 ( 1.985 -0.000 0.838) 2.154 23.607 ( 9.986 -0.000 -1.214) 10.060 ======================= Grid point 532 (263/361) ======================= q-point: (-0.80 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( 0.442 -2.481 -11.701) 11.969 2.965 ( 0.256 1.015 4.232) 4.359 3.317 ( -3.408 5.091 -7.453) 9.648 3.370 ( 2.192 1.101 3.884) 4.594 3.503 ( 3.924 -6.720 -7.901) 11.090 3.870 ( -0.225 5.177 9.703) 11.000 4.253 ( 6.365 0.742 8.062) 10.298 4.634 ( 2.081 -4.963 1.838) 5.687 5.263 ( -20.573 0.732 2.809) 20.776 5.539 ( -17.345 -1.714 0.663) 17.442 5.788 ( -5.965 -0.926 -0.535) 6.060 5.935 ( -8.775 -0.991 0.173) 8.833 6.402 ( 7.138 0.177 -8.325) 10.968 6.612 ( 7.058 -1.508 1.451) 7.361 7.570 ( -4.383 8.387 -4.093) 10.310 7.893 ( -9.691 4.273 13.691) 17.310 8.572 ( -10.706 -3.172 9.966) 14.967 8.960 ( 2.709 -3.052 -2.359) 4.713 9.224 ( -5.522 -4.475 -11.621) 13.622 9.423 ( -1.803 0.960 11.696) 11.873 10.648 ( 6.303 0.541 15.732) 16.956 10.809 ( 15.809 10.113 -7.262) 20.123 11.292 ( 16.800 2.760 -18.553) 25.180 11.597 ( 14.648 -5.213 8.018) 17.493 12.284 ( 1.981 -3.830 3.844) 5.777 12.666 ( -0.268 -3.697 -5.606) 6.721 12.908 ( -13.794 1.630 11.134) 17.801 13.290 ( 4.302 -1.836 -15.011) 15.723 17.558 ( -10.213 -0.003 -7.157) 12.471 18.439 ( 6.333 -0.707 9.323) 11.292 18.867 ( -8.718 1.328 3.052) 9.332 19.483 ( -13.783 -2.579 3.251) 14.394 20.592 ( 0.414 4.248 -23.138) 23.528 22.371 ( 6.052 -4.267 18.207) 19.656 23.298 ( 8.700 2.870 2.282) 9.441 23.739 ( 9.119 -1.324 0.686) 9.240 ======================= Grid point 533 (264/361) ======================= q-point: (-0.70 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -0.291 -7.206 -7.880) 10.682 2.933 ( -10.334 4.337 7.873) 13.696 3.133 ( 1.806 0.909 -12.333) 12.498 3.436 ( -1.933 -3.921 2.690) 5.133 3.599 ( 7.329 -4.745 -2.526) 9.089 3.926 ( -0.145 9.761 11.708) 15.244 4.430 ( 8.471 2.399 5.875) 10.584 4.700 ( -4.575 -6.207 1.736) 7.903 5.058 ( -12.449 3.446 5.019) 13.858 5.326 ( -15.342 -6.976 -0.463) 16.860 5.695 ( -8.223 -1.751 -0.076) 8.408 5.834 ( -7.235 -1.318 0.004) 7.354 6.413 ( 5.641 -0.157 -4.908) 7.479 6.728 ( 5.298 -2.288 0.278) 5.778 7.420 ( -0.350 10.250 -2.924) 10.665 7.769 ( -15.649 4.665 3.618) 16.726 8.576 ( -8.286 -1.739 8.834) 12.236 8.944 ( -4.214 -6.508 -5.702) 9.624 9.181 ( 2.299 -6.870 -0.048) 7.245 9.506 ( -4.460 1.974 11.852) 12.816 10.748 ( 9.264 19.485 -2.840) 21.761 10.936 ( 9.505 3.401 8.387) 13.125 11.273 ( 16.334 2.672 -19.366) 25.475 11.839 ( 7.757 -7.422 -2.041) 10.928 12.461 ( 7.441 -1.494 3.897) 8.532 12.617 ( -2.518 -4.615 -4.324) 6.807 12.844 ( -11.908 1.029 13.843) 18.289 13.245 ( 6.656 -9.102 -12.269) 16.664 17.369 ( -9.135 0.202 -1.018) 9.194 18.542 ( -3.070 -4.029 -2.042) 5.462 18.871 ( 4.376 5.367 8.933) 11.303 19.376 ( -9.697 -3.400 2.557) 10.589 20.337 ( 3.069 4.648 -17.243) 18.121 22.596 ( -5.766 -8.912 10.147) 14.685 23.426 ( 12.347 10.735 2.500) 16.551 23.920 ( 8.052 -5.729 5.225) 11.179 ======================= Grid point 534 (265/361) ======================= q-point: (-0.60 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -4.174 -3.671 -1.056) 5.658 2.804 ( -16.738 7.171 10.316) 20.929 3.122 ( 10.419 -7.441 -7.817) 15.001 3.445 ( -2.521 -3.720 -1.415) 4.711 3.676 ( 0.761 -7.224 -2.177) 7.584 3.968 ( 1.539 13.496 10.613) 17.238 4.546 ( -13.958 -5.013 6.343) 16.130 4.625 ( 1.202 3.199 -0.438) 3.445 5.026 ( -0.153 -0.990 7.367) 7.435 5.287 ( -3.230 -8.340 1.817) 9.127 5.607 ( -6.369 -1.835 0.414) 6.641 5.765 ( -4.026 -1.083 -0.082) 4.169 6.438 ( 1.394 -1.658 -0.288) 2.185 6.788 ( 0.838 -2.640 -1.840) 3.325 7.248 ( -3.942 8.729 -9.329) 13.370 7.559 ( -14.402 0.845 4.110) 15.001 8.573 ( -5.037 1.546 6.263) 8.184 8.905 ( -5.231 -8.535 0.215) 10.012 9.323 ( 5.038 -5.246 4.183) 8.391 9.553 ( -5.677 1.310 10.438) 11.954 10.602 ( 5.119 24.566 -4.225) 25.447 11.096 ( 6.703 5.228 4.898) 9.811 11.226 ( 14.385 3.158 -19.709) 24.604 11.941 ( 3.810 -6.967 -3.631) 8.731 12.486 ( -1.947 -3.163 -3.645) 5.204 12.550 ( -8.999 1.583 2.521) 9.478 12.957 ( 4.937 1.112 8.274) 9.699 13.352 ( 8.621 -15.661 -6.559) 19.042 17.308 ( -4.843 -1.943 6.982) 8.716 18.434 ( -4.625 -5.953 -12.208) 14.348 19.002 ( 7.486 10.584 6.857) 14.666 19.357 ( 1.049 -1.108 1.956) 2.481 20.187 ( 0.500 0.606 -8.429) 8.465 22.647 ( -12.388 -12.909 5.026) 18.584 23.480 ( 10.507 14.867 -0.744) 18.220 24.160 ( 5.167 -7.389 7.521) 11.742 ======================= Grid point 535 (266/361) ======================= q-point: (-0.50 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.365 ( -7.681 6.204 5.883) 11.493 2.588 ( -20.916 11.123 12.603) 26.834 3.321 ( 10.129 -12.938 -2.471) 16.616 3.423 ( 1.927 -2.251 -3.949) 4.937 3.725 ( -3.190 -11.102 0.127) 11.552 3.977 ( 4.789 14.753 4.522) 16.156 4.327 ( -22.909 -9.373 0.462) 24.756 4.717 ( 2.127 -0.823 5.923) 6.347 5.205 ( 9.067 0.407 10.101) 13.580 5.334 ( -2.783 -5.943 -0.856) 6.618 5.582 ( 1.159 0.539 1.086) 1.677 5.749 ( -0.822 -1.302 1.980) 2.508 6.487 ( -1.603 -5.249 4.246) 6.939 6.713 ( -10.783 -3.161 -5.400) 12.467 7.005 ( -4.100 1.294 -9.586) 10.506 7.455 ( -9.577 -1.229 4.549) 10.673 8.580 ( -1.061 5.892 8.104) 10.075 8.937 ( -6.575 -7.735 5.824) 11.704 9.477 ( 3.722 -3.121 4.012) 6.300 9.571 ( -3.955 1.390 5.401) 6.837 10.391 ( -0.001 21.320 -1.762) 21.393 11.095 ( 9.904 8.542 -13.811) 19.021 11.203 ( 7.909 2.764 -5.150) 9.834 11.977 ( -0.581 -3.875 -3.180) 5.046 12.430 ( -8.348 1.428 4.740) 9.706 12.473 ( -1.685 -3.483 -1.691) 4.223 13.051 ( 3.655 3.264 0.862) 4.975 13.543 ( 8.999 -13.321 -6.392) 17.300 17.448 ( 1.816 -6.386 13.104) 14.690 18.270 ( -0.405 -6.070 -16.134) 17.243 19.020 ( 4.047 11.868 0.350) 12.544 19.475 ( 11.975 1.538 1.959) 12.232 20.119 ( -3.192 -1.457 -2.064) 4.071 22.633 ( -15.642 -16.883 4.086) 23.375 23.454 ( 8.553 14.262 -3.429) 16.980 24.313 ( -1.363 -4.775 2.953) 5.777 ======================= Grid point 536 (267/361) ======================= q-point: (-0.40 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -13.968 17.555 11.643) 25.275 2.445 ( -11.966 6.780 16.855) 21.755 3.378 ( -5.361 -6.254 -2.663) 8.657 3.534 ( 5.929 -4.454 -1.723) 7.613 3.777 ( -2.517 -9.582 0.024) 9.907 3.977 ( 7.624 8.148 0.176) 11.159 4.158 ( -12.404 -12.356 -2.906) 17.747 4.830 ( -0.270 -3.353 7.616) 8.326 5.269 ( -4.380 0.601 -3.921) 5.909 5.471 ( 8.482 1.393 13.055) 15.631 5.647 ( 9.799 0.471 -1.721) 9.960 5.820 ( 1.690 -1.935 5.925) 6.458 6.440 ( -15.497 -6.848 -8.909) 19.142 6.630 ( -4.134 -8.755 12.018) 15.433 6.880 ( -1.899 -1.454 -7.798) 8.156 7.418 ( -7.919 -4.870 5.099) 10.603 8.628 ( -0.032 8.775 11.523) 14.484 8.990 ( -7.822 -5.636 10.274) 14.089 9.482 ( -3.816 4.250 -3.483) 6.690 9.598 ( 2.695 -0.220 1.885) 3.297 10.216 ( -5.131 12.552 4.062) 14.155 10.968 ( 10.367 10.352 -16.235) 21.868 11.222 ( 5.708 1.862 -4.316) 7.395 11.896 ( -6.283 0.972 -4.614) 7.856 12.395 ( -5.970 1.133 8.069) 10.101 12.494 ( 1.910 -2.926 -0.484) 3.527 13.040 ( 0.698 5.288 -0.571) 5.364 13.646 ( 6.934 -8.829 -11.112) 15.795 17.688 ( 4.909 -6.049 3.482) 8.533 18.249 ( 7.965 -12.145 -3.858) 15.028 18.945 ( 1.065 8.174 -3.182) 8.836 19.681 ( 17.936 3.645 1.012) 18.330 20.044 ( -5.515 2.090 -0.394) 5.911 22.616 ( -18.279 -20.679 4.312) 27.934 23.397 ( 7.923 11.747 -5.499) 15.199 24.253 ( -9.136 0.629 -4.135) 10.048 ======================= Grid point 537 (268/361) ======================= q-point: (-0.30 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.061 ( -7.402 13.983 14.724) 21.612 2.487 ( -8.582 4.794 21.582) 23.715 3.256 ( -10.712 -4.273 -5.736) 12.881 3.577 ( 2.222 -3.223 -3.910) 5.533 3.829 ( -0.076 -3.545 2.651) 4.427 4.026 ( 7.863 4.033 -5.781) 10.559 4.136 ( -1.786 -14.421 -4.289) 15.151 4.884 ( -5.081 -1.948 -0.498) 5.464 5.210 ( 1.584 2.860 4.968) 5.947 5.637 ( -0.431 4.466 10.997) 11.878 5.857 ( 17.774 -2.970 0.639) 18.032 5.949 ( 0.990 -4.574 6.826) 8.276 6.215 ( -9.622 -3.031 -4.259) 10.951 6.753 ( -4.159 -0.981 -8.628) 9.628 6.844 ( -3.034 -13.041 14.347) 19.625 7.443 ( -9.092 -10.331 7.819) 15.828 8.689 ( -0.982 10.044 13.826) 17.118 9.061 ( -7.262 -1.473 12.295) 14.356 9.301 ( -1.833 7.587 -8.563) 11.587 9.643 ( -0.117 -3.510 0.375) 3.532 10.111 ( -9.035 7.202 8.511) 14.351 10.820 ( 9.256 13.568 -13.569) 21.304 11.212 ( 4.163 -0.590 -8.851) 9.799 11.704 ( -9.886 2.328 -4.839) 11.250 12.423 ( -3.255 2.400 9.241) 10.087 12.552 ( 4.856 -0.418 -0.667) 4.920 12.980 ( -1.342 5.990 0.210) 6.142 13.647 ( 5.898 -6.503 -13.933) 16.469 17.751 ( 6.641 -2.551 -7.782) 10.544 18.573 ( 5.926 -21.100 6.587) 22.885 18.860 ( 5.979 6.435 -4.417) 9.831 19.810 ( -4.431 0.682 -4.051) 6.042 20.034 ( 18.257 10.576 5.996) 21.935 22.570 ( -22.009 -21.948 1.547) 31.120 23.348 ( 8.364 8.192 -6.503) 13.392 23.974 ( -14.415 6.811 -7.813) 17.755 ======================= Grid point 538 (269/361) ======================= q-point: (-0.20 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 0.884 6.104 14.120) 15.408 2.637 ( -4.667 0.905 22.910) 23.398 3.078 ( -7.913 -3.758 -6.121) 10.687 3.560 ( -0.079 -5.561 -8.334) 10.020 3.918 ( 9.316 3.541 -0.598) 9.984 3.953 ( -1.364 -3.804 -10.958) 11.679 4.206 ( 1.298 -7.773 -2.041) 8.141 4.735 ( -7.023 3.298 -6.734) 10.274 5.356 ( 3.796 0.569 12.317) 12.901 5.699 ( -3.286 5.496 11.647) 13.291 6.019 ( -8.850 -2.780 8.270) 12.427 6.123 ( 14.768 -3.589 -0.521) 15.207 6.200 ( 9.096 -0.201 -1.110) 9.165 6.586 ( -5.888 -1.064 -8.424) 10.332 7.073 ( -4.185 -10.521 13.517) 17.632 7.555 ( -9.704 -20.000 11.440) 25.001 8.747 ( -2.477 11.952 15.830) 19.989 9.038 ( -6.519 4.930 3.384) 8.846 9.171 ( 0.616 6.212 -2.845) 6.860 9.687 ( -1.031 -9.606 -1.073) 9.721 10.044 ( -10.205 4.579 12.427) 16.719 10.672 ( 7.948 16.673 -7.938) 20.103 11.124 ( 2.250 0.128 -13.660) 13.844 11.499 ( -8.703 -1.385 -6.274) 10.818 12.463 ( -2.826 4.582 8.669) 10.204 12.613 ( 8.399 2.795 -2.744) 9.268 12.918 ( -2.883 3.573 2.143) 5.066 13.614 ( 5.604 -5.769 -13.621) 15.819 17.795 ( 8.631 -1.720 -5.252) 10.249 18.620 ( -8.906 -6.729 -7.628) 13.520 19.088 ( 16.550 -8.086 3.684) 18.785 19.602 ( -11.192 4.230 -3.247) 12.398 20.384 ( 26.036 7.656 10.969) 29.271 22.386 ( -26.092 -17.113 -7.067) 31.994 23.338 ( 8.089 4.083 -5.248) 10.471 23.617 ( -13.068 9.005 -5.331) 16.742 ======================= Grid point 539 (270/361) ======================= q-point: (-0.10 0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( 6.731 1.701 11.939) 13.811 2.787 ( -2.527 -0.918 3.386) 4.324 3.068 ( 0.907 -5.629 11.753) 13.063 3.489 ( -1.265 -5.648 -9.003) 10.703 3.773 ( -0.729 0.040 -16.111) 16.128 4.000 ( 2.879 -0.472 -3.822) 4.808 4.263 ( 2.221 -2.765 1.129) 3.722 4.508 ( -6.831 5.974 -6.738) 11.303 5.551 ( 1.753 -0.465 12.820) 12.948 5.734 ( -5.461 5.642 12.820) 15.034 6.005 ( -5.080 1.226 3.530) 6.307 6.275 ( 3.211 1.031 -3.143) 4.610 6.306 ( 8.298 -1.344 -1.677) 8.572 6.455 ( -0.627 -2.538 -5.804) 6.366 7.256 ( -5.379 -6.763 18.404) 20.332 7.774 ( -7.906 -27.255 7.581) 29.374 8.760 ( -7.036 18.120 17.236) 25.979 8.963 ( -2.206 2.175 -0.464) 3.133 9.088 ( 1.633 5.198 -1.217) 5.583 9.734 ( -0.890 -9.825 -4.682) 10.920 10.054 ( -7.461 2.967 13.897) 16.050 10.608 ( 8.041 12.855 3.508) 15.564 10.965 ( 1.264 1.967 -13.860) 14.056 11.359 ( -0.052 -4.618 -11.124) 12.044 12.448 ( -4.593 6.380 5.111) 9.377 12.663 ( 9.822 4.558 -4.822) 11.853 12.905 ( -4.010 -0.607 5.979) 7.225 13.579 ( 4.903 -4.494 -12.424) 14.092 17.893 ( 8.987 -0.758 -0.819) 9.056 18.404 ( -8.850 -1.111 -13.055) 15.811 19.272 ( -11.853 -3.471 5.003) 13.325 19.494 ( 9.313 -0.697 -2.256) 9.608 20.854 ( 25.158 3.446 16.176) 30.108 21.984 ( -26.191 -7.504 -16.205) 31.700 23.322 ( -4.845 4.209 -0.594) 6.446 23.422 ( 5.034 2.370 -4.048) 6.880 ======================= Grid point 542 (271/361) ======================= q-point: ( 0.20 0.20 -0.62) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.386 ( 1.134 -0.000 -9.688) 9.755 2.968 ( -7.561 0.000 5.851) 9.560 3.158 ( -0.600 0.000 -14.850) 14.862 3.377 ( -2.953 0.000 1.898) 3.510 3.563 ( 6.950 -0.000 0.294) 6.956 4.021 ( -1.640 0.000 14.477) 14.569 4.486 ( 9.250 -0.000 8.870) 12.816 4.594 ( -3.581 0.000 -0.654) 3.640 5.127 ( -7.174 0.000 6.053) 9.386 5.232 ( -22.987 0.000 -2.041) 23.078 5.683 ( -8.464 0.000 0.909) 8.513 5.822 ( -6.793 0.000 0.052) 6.794 6.412 ( 5.532 -0.000 -5.319) 7.674 6.707 ( 5.162 -0.000 0.778) 5.220 7.520 ( -1.357 0.000 -3.473) 3.729 7.804 ( -19.572 0.000 2.839) 19.777 8.571 ( -9.092 0.000 13.922) 16.627 8.871 ( -0.222 0.000 -13.017) 13.019 9.117 ( 3.764 -0.000 1.192) 3.948 9.526 ( -5.716 0.000 13.062) 14.258 10.900 ( 4.924 -0.000 11.204) 12.238 11.018 ( 19.508 -0.000 -7.927) 21.057 11.305 ( 17.109 -0.000 -20.988) 27.078 11.745 ( 4.061 -0.000 1.264) 4.253 12.460 ( 12.092 -0.000 7.068) 14.006 12.550 ( -3.940 0.000 -5.697) 6.927 12.857 ( -14.339 0.000 14.758) 20.577 13.164 ( 5.643 -0.000 -15.002) 16.029 17.371 ( -9.562 0.000 -1.052) 9.619 18.507 ( -3.655 0.000 -2.503) 4.430 18.923 ( 4.095 -0.000 12.001) 12.681 19.341 ( -8.626 0.000 3.022) 9.140 20.378 ( 2.742 -0.000 -20.516) 20.698 22.515 ( -6.370 0.000 10.680) 12.436 23.543 ( 12.692 -0.000 8.735) 15.408 23.849 ( 7.424 -0.000 0.046) 7.424 ======================= Grid point 543 (272/361) ======================= q-point: (-0.70 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.367 ( 3.802 -2.334 -1.464) 4.696 2.904 ( -13.384 3.481 9.092) 16.550 3.029 ( 6.245 -2.891 -12.062) 13.887 3.365 ( -1.668 -3.528 -1.406) 4.148 3.606 ( -1.814 -1.464 0.109) 2.333 4.142 ( -5.489 4.736 16.304) 17.843 4.520 ( -6.936 1.993 -0.074) 7.217 4.675 ( 3.656 1.717 2.433) 4.716 4.942 ( -12.866 -6.214 2.920) 14.583 5.201 ( 2.451 -1.338 7.240) 7.760 5.592 ( -8.733 -0.232 4.421) 9.791 5.753 ( -2.245 -0.387 -1.274) 2.610 6.415 ( -0.068 -0.750 -1.205) 1.421 6.755 ( 0.608 -1.002 -1.009) 1.546 7.399 ( -10.064 8.018 -7.299) 14.793 7.517 ( -15.112 -5.015 -2.281) 16.085 8.618 ( -6.467 2.513 13.181) 14.895 8.766 ( 1.135 -5.387 -7.818) 9.562 9.259 ( 7.442 -1.999 5.741) 9.610 9.575 ( -9.089 0.814 13.081) 15.950 10.967 ( 4.163 13.009 -2.412) 13.870 11.175 ( 14.954 3.312 -2.725) 15.557 11.268 ( 15.546 1.528 -21.790) 26.811 11.816 ( 1.683 -5.895 0.483) 6.150 12.435 ( -4.107 -1.862 -3.927) 5.980 12.569 ( -6.380 0.409 2.924) 7.030 12.979 ( 4.845 1.727 13.381) 14.336 13.126 ( 7.444 -8.454 -9.313) 14.615 17.284 ( -6.773 -0.696 5.954) 9.044 18.360 ( -5.094 -2.192 -11.333) 12.617 19.153 ( 7.625 5.167 12.523) 15.545 19.340 ( 3.086 -0.676 2.737) 4.180 20.179 ( -0.356 -0.765 -15.593) 15.616 22.491 ( -12.729 -4.549 5.597) 14.630 23.735 ( 8.405 13.091 5.283) 16.429 23.998 ( 5.430 -10.324 3.562) 12.197 ======================= Grid point 544 (273/361) ======================= q-point: (-0.60 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.442 ( 0.454 3.183 7.303) 7.979 2.774 ( -14.417 8.448 10.653) 19.817 3.101 ( 8.009 -10.380 -4.311) 13.801 3.364 ( 2.145 -3.789 -3.991) 5.906 3.579 ( -4.278 -5.272 -0.613) 6.817 4.141 ( -18.906 -4.487 8.084) 21.045 4.294 ( -4.599 13.315 -1.917) 14.217 4.722 ( 0.221 -0.054 5.786) 5.791 5.049 ( -0.628 -11.408 6.554) 13.171 5.355 ( 7.578 3.416 7.522) 11.211 5.575 ( -4.447 -0.987 7.728) 8.971 5.742 ( 1.980 -0.239 -0.283) 2.014 6.405 ( -4.618 -3.625 2.260) 6.291 6.673 ( -12.981 -1.494 -3.203) 13.454 7.039 ( -12.568 2.198 -8.249) 15.193 7.407 ( -4.632 -3.306 -4.593) 7.313 8.669 ( -3.512 4.031 12.251) 13.367 8.792 ( 0.445 -7.395 -0.844) 7.457 9.454 ( 6.055 -0.100 7.748) 9.833 9.582 ( -9.486 0.176 11.244) 14.712 10.783 ( 2.262 20.112 -8.868) 22.097 11.190 ( 13.865 2.314 -22.562) 26.583 11.285 ( 10.900 5.715 -2.469) 12.552 11.888 ( -0.482 -5.716 0.436) 5.753 12.394 ( -1.133 -3.337 -0.677) 3.589 12.475 ( -10.912 1.507 5.852) 12.473 13.068 ( 6.188 -1.081 -5.437) 8.308 13.334 ( 7.783 -8.807 4.138) 12.461 17.358 ( -1.121 -3.634 12.807) 13.360 18.165 ( -2.563 -4.642 -16.368) 17.205 19.266 ( 5.206 13.735 3.970) 15.215 19.495 ( 14.217 0.773 2.363) 14.433 20.040 ( -3.324 -6.489 -7.839) 10.705 22.406 ( -16.029 -8.680 4.660) 18.814 23.717 ( 5.000 15.122 -0.638) 15.940 24.182 ( -0.439 -9.897 3.448) 10.490 ======================= Grid point 545 (274/361) ======================= q-point: (-0.50 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.474 ( -5.592 9.707 12.286) 16.626 2.604 ( -14.425 14.020 13.135) 24.024 3.224 ( -3.215 -10.945 -0.805) 11.436 3.435 ( 8.032 -6.042 -3.569) 10.666 3.590 ( -1.572 -10.017 -2.324) 10.403 3.943 ( -18.095 -9.496 1.914) 20.525 4.205 ( 6.916 12.903 -2.490) 14.850 4.797 ( -2.926 -0.642 8.317) 8.840 5.169 ( -3.457 -8.432 3.284) 9.687 5.540 ( 10.551 4.883 9.385) 14.942 5.651 ( 2.763 -0.547 4.362) 5.192 5.808 ( 0.588 0.049 7.477) 7.500 6.332 ( -15.957 -4.902 -5.784) 17.667 6.484 ( -10.597 -7.759 8.606) 15.702 6.860 ( -3.014 -0.664 -7.006) 7.655 7.331 ( -3.688 -4.601 -3.945) 7.095 8.731 ( -5.268 3.640 13.659) 15.085 8.872 ( -0.077 -6.999 3.101) 7.656 9.518 ( -11.831 1.627 10.892) 16.163 9.638 ( 5.926 2.651 2.916) 7.117 10.513 ( -0.506 18.628 -7.899) 20.239 11.085 ( 13.967 2.996 -22.874) 26.968 11.318 ( 8.659 8.321 -4.242) 12.736 11.885 ( -5.043 -2.320 -1.693) 5.804 12.408 ( -7.196 0.372 8.004) 10.770 12.448 ( 1.524 -2.193 2.851) 3.906 13.084 ( 3.816 -0.481 -4.892) 6.222 13.500 ( 3.497 -6.774 -1.424) 7.755 17.589 ( 4.056 -4.981 11.861) 13.489 18.033 ( 2.047 -10.488 -12.207) 16.224 19.173 ( 2.050 15.851 -3.643) 16.392 19.726 ( 14.814 1.044 0.483) 14.858 20.017 ( 1.647 -4.834 -1.863) 5.436 22.322 ( -18.225 -12.409 5.444) 22.711 23.621 ( 3.767 13.285 -3.804) 14.323 24.206 ( -7.596 -5.631 -2.089) 9.683 ======================= Grid point 546 (275/361) ======================= q-point: (-0.40 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.344 ( -10.827 17.056 11.211) 23.104 2.565 ( -9.120 4.936 18.445) 21.161 3.170 ( -10.982 -5.548 -3.116) 12.693 3.500 ( -1.545 -5.932 -2.875) 6.770 3.662 ( 3.489 -13.899 -5.116) 15.216 3.939 ( -3.824 -7.126 6.581) 10.427 4.167 ( 12.757 9.959 -9.480) 18.756 4.814 ( -7.273 -5.185 1.016) 8.990 5.238 ( 1.086 0.128 7.583) 7.661 5.723 ( 1.084 5.292 11.107) 12.350 5.786 ( 9.814 -4.885 1.307) 11.040 5.896 ( -4.602 -0.756 12.001) 12.875 6.162 ( -3.798 -3.514 -1.206) 5.313 6.597 ( -7.055 -13.556 11.165) 18.927 6.742 ( -3.369 -0.880 -6.504) 7.377 7.292 ( -4.944 -6.835 -1.284) 8.533 8.788 ( -5.460 2.502 13.280) 14.575 8.984 ( -1.923 -6.224 8.185) 10.461 9.414 ( -10.852 4.733 3.074) 12.232 9.687 ( 2.662 6.483 2.227) 7.353 10.290 ( -2.913 12.265 -2.141) 12.787 10.991 ( 15.458 4.720 -21.410) 26.826 11.271 ( 5.421 8.337 -7.774) 12.623 11.743 ( -10.619 1.647 -3.576) 11.325 12.437 ( -4.101 -0.627 9.288) 10.172 12.553 ( 6.222 0.510 3.843) 7.331 13.062 ( 0.403 2.544 -2.400) 3.520 13.529 ( 0.735 -6.085 -6.952) 9.268 17.712 ( 6.091 -1.693 -5.581) 8.433 18.215 ( 5.103 -18.621 7.896) 20.859 19.015 ( 2.661 10.782 -6.178) 12.709 19.782 ( -5.360 -3.718 -3.586) 7.444 20.195 ( 23.944 7.230 2.685) 25.155 22.239 ( -20.843 -15.109 4.689) 26.166 23.512 ( 4.091 10.128 -5.657) 12.301 24.030 ( -12.621 -0.087 -6.974) 14.420 ======================= Grid point 547 (276/361) ======================= q-point: (-0.30 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.251 ( -3.737 9.857 11.317) 15.466 2.655 ( -7.519 1.627 20.727) 22.108 3.007 ( -9.175 -4.127 -4.897) 11.189 3.460 ( -3.666 -6.109 -6.395) 9.573 3.758 ( 1.990 -13.063 -8.261) 15.583 4.009 ( 2.920 2.460 1.750) 4.200 4.168 ( 10.041 3.060 -6.642) 12.422 4.725 ( -7.154 -4.160 -5.179) 9.762 5.385 ( 3.575 2.179 12.280) 12.974 5.802 ( -1.570 6.169 11.686) 13.308 5.940 ( -3.919 -6.466 12.997) 15.037 6.045 ( 8.851 -3.798 0.585) 9.649 6.215 ( 6.397 1.058 2.402) 6.915 6.564 ( -7.022 -1.677 -7.328) 10.287 6.828 ( -3.631 -15.942 12.072) 20.324 7.283 ( -8.179 -10.765 2.331) 13.720 8.854 ( -4.650 2.272 13.016) 14.007 9.097 ( -6.637 -2.436 10.942) 13.028 9.246 ( -3.605 5.059 -3.494) 7.127 9.674 ( -0.560 6.540 3.673) 7.522 10.154 ( -5.362 7.425 2.906) 9.608 10.916 ( 15.615 9.416 -17.190) 25.059 11.154 ( 3.874 5.215 -11.354) 13.082 11.504 ( -12.788 1.877 -5.503) 14.048 12.505 ( -2.792 -0.098 8.864) 9.294 12.684 ( 9.442 5.089 3.116) 11.170 12.994 ( -3.602 4.333 0.125) 5.636 13.493 ( 1.391 -7.370 -10.363) 12.792 17.761 ( 8.440 -1.966 -4.257) 9.655 18.464 ( -3.687 -10.609 3.209) 11.681 18.994 ( 10.281 -2.194 -2.637) 10.839 19.630 ( -9.329 -0.858 -5.999) 11.124 20.546 ( 27.524 9.985 7.969) 30.344 22.096 ( -23.496 -14.901 -0.716) 27.832 23.435 ( 5.381 6.452 -5.705) 10.156 23.735 ( -13.135 4.259 -7.492) 15.710 ======================= Grid point 548 (277/361) ======================= q-point: (-0.20 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( 4.511 3.879 10.928) 12.443 2.764 ( -5.133 -1.539 6.836) 8.685 2.966 ( 0.074 -5.094 7.133) 8.765 3.372 ( -4.372 -7.266 -7.587) 11.378 3.715 ( -0.886 -5.846 -12.354) 13.696 4.020 ( 4.363 2.682 -6.561) 8.323 4.238 ( 4.644 -0.895 2.798) 5.495 4.575 ( -5.299 1.329 -7.006) 8.884 5.566 ( 2.426 1.575 13.006) 13.324 5.846 ( -4.902 7.141 12.777) 15.436 6.030 ( -3.886 1.442 3.923) 5.707 6.241 ( 10.243 -6.832 2.560) 12.576 6.304 ( 2.111 2.016 -1.288) 3.191 6.411 ( -2.558 -1.572 -4.364) 5.297 7.078 ( -1.600 -14.442 12.861) 19.404 7.330 ( -10.306 -20.164 5.341) 23.266 8.926 ( -3.377 2.852 11.774) 12.576 9.053 ( -9.495 6.081 8.932) 14.384 9.181 ( -1.151 2.499 -2.787) 3.916 9.658 ( 0.826 3.054 0.845) 3.275 10.100 ( -4.923 2.705 9.043) 10.646 10.842 ( 8.289 11.714 -8.850) 16.860 11.030 ( 5.207 6.144 -10.713) 13.403 11.284 ( -3.115 -2.950 -10.517) 11.359 12.550 ( -3.642 3.548 7.171) 8.790 12.777 ( 8.574 8.121 0.843) 11.840 12.910 ( -5.316 1.724 2.068) 5.959 13.467 ( 3.495 -7.899 -10.933) 13.933 17.877 ( 8.695 -0.988 0.987) 8.807 18.386 ( -7.444 -0.761 -7.787) 10.800 19.165 ( -1.654 -8.532 2.421) 9.022 19.482 ( 2.382 -0.890 -5.604) 6.154 20.947 ( 20.845 7.074 14.478) 26.347 21.827 ( -20.199 -9.466 -10.248) 24.548 23.403 ( 0.920 4.541 -3.197) 5.629 23.477 ( -3.552 3.475 -5.066) 7.096 ======================= Grid point 549 (278/361) ======================= q-point: (-0.10 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( 9.163 0.684 9.498) 13.216 2.740 ( 2.288 0.601 -4.834) 5.382 3.172 ( 0.437 -9.197 7.130) 11.645 3.337 ( -1.015 -8.923 -0.514) 8.996 3.604 ( -0.756 -0.062 -5.961) 6.009 3.908 ( -1.634 1.398 -11.714) 11.910 4.288 ( -4.236 1.962 -0.434) 4.688 4.476 ( 4.849 3.020 0.455) 5.730 5.701 ( -2.551 2.099 10.894) 11.383 5.813 ( -13.984 5.397 9.594) 17.796 5.942 ( -3.068 1.636 -4.070) 5.353 6.198 ( -5.710 1.104 -3.525) 6.801 6.410 ( 5.675 2.029 -1.061) 6.119 6.432 ( 6.683 -1.523 -1.903) 7.114 7.362 ( -0.357 -11.273 18.860) 21.975 7.471 ( -7.952 -26.960 2.294) 28.202 8.919 ( -13.197 12.203 5.970) 18.940 8.975 ( -1.600 3.786 6.795) 7.942 9.150 ( 1.247 0.232 4.183) 4.371 9.645 ( 1.636 0.728 -5.372) 5.663 10.188 ( -0.520 1.156 13.863) 13.921 10.681 ( -5.401 1.227 -6.945) 8.884 11.048 ( 16.402 9.840 1.017) 19.154 11.229 ( 10.237 -4.856 -14.970) 18.775 12.486 ( -5.653 8.302 2.486) 10.347 12.799 ( 6.849 8.572 -2.853) 11.337 12.891 ( -6.977 -3.666 7.377) 10.795 13.456 ( 4.805 -5.102 -11.190) 13.204 18.023 ( 4.955 -0.173 3.362) 5.990 18.146 ( -5.869 2.351 -11.237) 12.893 19.098 ( -14.155 -3.086 3.295) 14.858 19.582 ( 8.230 -2.967 -1.588) 8.891 21.173 ( -15.407 -8.637 0.669) 17.676 21.652 ( 16.610 7.318 0.190) 18.152 23.271 ( -4.710 3.384 -1.289) 5.941 23.497 ( 8.490 0.400 -2.145) 8.766 ======================= Grid point 553 (279/361) ======================= q-point: ( 0.30 -0.70 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 4.849 -0.000 8.412) 9.710 2.839 ( -8.386 0.000 4.638) 9.583 3.016 ( 4.503 -0.000 -0.543) 4.535 3.322 ( 2.082 -0.000 -3.766) 4.303 3.534 ( -6.547 0.000 -0.366) 6.557 4.082 ( -24.893 0.000 6.375) 25.697 4.478 ( -1.961 0.000 -2.574) 3.236 4.683 ( -0.377 0.000 5.763) 5.775 4.939 ( 0.852 -0.000 9.274) 9.313 5.388 ( 9.282 -0.000 7.853) 12.158 5.564 ( -9.361 0.000 12.684) 15.764 5.738 ( 4.206 -0.000 -3.021) 5.179 6.371 ( -6.164 0.000 2.380) 6.607 6.660 ( -13.446 0.000 -2.851) 13.745 7.063 ( -18.445 0.000 -6.501) 19.557 7.371 ( 0.337 -0.000 -9.455) 9.461 8.710 ( -8.274 0.000 16.206) 18.196 8.717 ( 5.400 -0.000 -4.532) 7.050 9.455 ( 9.787 -0.000 7.378) 12.256 9.583 ( -12.810 0.000 13.524) 18.628 10.985 ( 0.239 -0.000 -9.696) 9.699 11.207 ( 13.217 -0.000 -22.500) 26.095 11.346 ( 18.902 -0.000 -10.120) 21.441 11.820 ( -3.317 0.000 5.643) 6.545 12.360 ( -1.385 0.000 0.460) 1.459 12.489 ( -11.232 0.000 5.759) 12.623 13.046 ( 8.145 -0.000 -11.316) 13.943 13.259 ( 6.576 -0.000 11.532) 13.275 17.326 ( -2.160 0.000 12.537) 12.722 18.123 ( -3.142 0.000 -16.482) 16.779 19.413 ( 5.863 -0.000 9.462) 11.131 19.502 ( 14.967 -0.000 2.480) 15.171 19.959 ( -3.830 0.000 -13.931) 14.448 22.330 ( -15.953 0.000 4.943) 16.701 23.963 ( 2.735 -0.000 -3.214) 4.220 23.983 ( 0.733 -0.000 7.195) 7.232 ======================= Grid point 555 (280/361) ======================= q-point: (-0.60 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.599 ( -3.527 5.504 12.404) 14.021 2.822 ( -5.094 4.821 9.507) 11.814 3.077 ( -0.879 -1.164 1.683) 2.227 3.325 ( 1.389 -6.519 -4.212) 7.884 3.450 ( -4.090 -4.629 -3.557) 7.128 3.819 ( -16.588 -3.856 3.175) 17.323 4.392 ( 0.774 6.648 -2.864) 7.280 4.780 ( -1.976 -1.578 4.997) 5.601 5.069 ( 0.484 -2.112 9.803) 10.040 5.575 ( 7.472 -0.973 1.954) 7.784 5.664 ( -4.229 2.333 21.210) 21.753 5.803 ( 6.473 -0.860 1.000) 6.606 6.293 ( -16.968 1.018 -0.377) 17.002 6.361 ( -16.685 -5.905 4.150) 18.179 6.855 ( -4.233 -0.073 -6.095) 7.421 7.271 ( 1.401 -1.871 -10.267) 10.530 8.767 ( -4.882 -0.268 9.368) 10.567 8.781 ( -0.691 -1.739 6.792) 7.045 9.545 ( -14.631 1.057 13.419) 19.880 9.670 ( 8.743 0.932 5.875) 10.574 10.780 ( -0.261 9.184 -15.639) 18.139 11.110 ( 12.375 0.421 -22.659) 25.821 11.452 ( 16.733 5.169 -10.367) 20.351 11.827 ( -6.651 -3.076 3.679) 8.199 12.407 ( 0.187 -0.416 5.535) 5.554 12.423 ( -7.257 -0.472 7.271) 10.283 13.048 ( 7.338 -2.089 -8.425) 11.366 13.426 ( 0.683 -1.784 6.052) 6.347 17.524 ( 3.341 -2.107 16.754) 17.214 17.907 ( 0.194 -3.556 -17.117) 17.484 19.456 ( 0.241 14.865 -1.430) 14.936 19.688 ( 1.230 -6.518 -2.473) 7.079 19.918 ( 18.441 -4.046 -2.813) 19.088 22.179 ( -17.672 -3.937 6.033) 19.084 23.850 ( -0.093 12.095 -3.388) 12.561 24.067 ( -5.652 -9.488 -0.353) 11.050 ======================= Grid point 556 (281/361) ======================= q-point: (-0.50 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( -12.314 8.056 11.479) 18.663 2.733 ( -7.391 15.377 10.391) 19.977 3.063 ( -8.187 -6.190 -0.282) 10.268 3.334 ( -7.063 -13.987 -2.815) 15.920 3.450 ( 4.423 -7.278 -4.366) 9.571 3.846 ( 2.163 -3.809 7.724) 8.880 4.330 ( 7.407 7.252 -6.958) 12.485 4.731 ( -8.830 -3.506 -2.425) 9.806 5.235 ( 3.152 0.172 11.837) 12.250 5.688 ( -0.926 -5.262 4.993) 7.312 5.825 ( 2.632 5.865 11.592) 13.256 5.922 ( -2.241 2.555 11.752) 12.234 6.085 ( -4.979 -4.717 2.318) 7.240 6.380 ( -9.413 -10.362 9.861) 17.123 6.733 ( -3.585 -0.244 -6.432) 7.367 7.203 ( 1.436 -3.276 -8.588) 9.303 8.811 ( -9.540 0.667 15.836) 18.500 8.883 ( 1.445 -4.561 4.629) 6.657 9.471 ( -15.095 1.991 10.524) 18.509 9.798 ( 5.926 4.956 2.585) 8.146 10.499 ( -1.447 9.937 -13.392) 16.739 11.022 ( 13.606 0.299 -21.137) 25.139 11.453 ( 12.020 9.954 -12.142) 19.773 11.751 ( -9.798 -0.807 -1.077) 9.890 12.415 ( -6.642 -1.402 9.684) 11.827 12.560 ( 7.835 0.018 6.705) 10.313 13.066 ( 4.501 -1.375 -5.763) 7.441 13.454 ( -5.055 -2.283 1.325) 5.703 17.701 ( 5.386 0.796 -5.022) 7.407 17.939 ( 5.727 -12.375 9.880) 16.839 19.223 ( -4.211 12.114 -8.004) 15.117 19.680 ( -5.611 -7.648 -3.647) 10.163 20.285 ( 31.291 3.097 0.744) 31.453 22.045 ( -19.747 -7.012 6.015) 21.801 23.692 ( -0.603 9.906 -5.293) 11.247 23.983 ( -10.285 -4.940 -5.349) 12.602 ======================= Grid point 557 (282/361) ======================= q-point: (-0.40 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( -9.728 9.552 8.645) 16.143 2.717 ( -5.766 5.929 14.809) 16.962 2.936 ( -10.155 -3.874 -2.780) 11.219 3.330 ( -5.043 -8.893 -4.455) 11.152 3.546 ( 5.089 -9.798 -4.387) 11.880 4.008 ( 0.321 -1.754 9.666) 9.829 4.277 ( 11.444 7.618 -14.028) 19.641 4.614 ( -7.020 -7.316 -4.339) 11.028 5.415 ( 3.257 0.952 11.347) 11.843 5.804 ( -1.042 -7.915 10.877) 13.492 5.913 ( 0.595 6.075 10.814) 12.417 6.016 ( 1.107 0.414 6.553) 6.659 6.214 ( 3.762 -1.421 8.650) 9.539 6.468 ( -8.155 -11.085 4.635) 14.521 6.623 ( -5.070 -4.249 -0.736) 6.656 7.156 ( -0.465 -4.310 -6.212) 7.574 8.873 ( -9.484 0.385 17.425) 19.842 9.007 ( 0.065 -5.326 6.357) 8.293 9.339 ( -12.090 4.233 4.123) 13.457 9.817 ( 2.200 8.028 1.892) 8.537 10.279 ( -2.948 6.051 -6.567) 9.404 10.984 ( 15.516 0.474 -18.845) 24.415 11.332 ( 8.820 12.462 -14.018) 20.726 11.549 ( -13.256 2.663 -3.888) 14.068 12.475 ( -4.564 -2.716 9.585) 10.958 12.769 ( 11.923 3.816 6.944) 14.316 13.046 ( -0.203 1.172 -3.205) 3.419 13.382 ( -6.354 -4.428 -3.693) 8.580 17.731 ( 8.217 -1.410 -3.697) 9.120 18.274 ( 3.971 -10.015 11.795) 15.975 19.005 ( -1.890 2.864 -7.779) 8.503 19.584 ( -6.261 -3.957 -6.664) 9.963 20.709 ( 32.334 7.856 3.893) 33.501 21.881 ( -22.133 -9.200 2.414) 24.090 23.552 ( 0.866 6.588 -5.611) 8.697 23.770 ( -11.488 -0.093 -7.403) 13.667 ======================= Grid point 558 (283/361) ======================= q-point: (-0.30 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 1.372 5.324 9.577) 11.043 2.745 ( -7.309 -0.399 7.210) 10.274 2.899 ( 1.584 -2.622 4.499) 5.443 3.243 ( -6.463 -7.027 -6.789) 11.715 3.614 ( 2.184 -4.881 -4.728) 7.138 4.053 ( -5.812 -0.127 -0.017) 5.814 4.234 ( 9.435 1.146 -6.271) 11.386 4.558 ( 0.210 -2.758 -6.411) 6.982 5.578 ( 1.498 -0.672 10.846) 10.970 5.982 ( -1.895 6.829 11.097) 13.167 6.047 ( -2.586 -1.404 -0.565) 2.996 6.083 ( 6.988 -6.708 14.781) 17.672 6.333 ( -1.943 0.938 0.462) 2.206 6.397 ( -1.030 -0.990 -0.768) 1.623 6.753 ( -3.818 -18.689 10.374) 21.713 7.119 ( -2.922 -6.004 -3.143) 7.380 8.953 ( -8.413 0.835 17.247) 19.208 9.094 ( -5.312 -2.106 7.043) 9.070 9.202 ( -5.181 2.587 0.168) 5.794 9.784 ( 0.554 8.411 1.535) 8.568 10.148 ( -4.156 2.397 -0.044) 4.798 10.968 ( 11.552 3.095 -15.406) 19.504 11.200 ( 10.754 11.795 -11.174) 19.484 11.283 ( -8.902 3.205 -6.944) 11.736 12.554 ( -4.005 -2.385 9.421) 10.511 12.923 ( -0.658 6.591 6.113) 9.013 12.973 ( 3.505 5.757 -2.241) 7.103 13.317 ( 0.381 -8.409 -7.588) 11.333 17.861 ( 8.799 -0.739 3.244) 9.407 18.378 ( -4.694 -0.182 -2.135) 5.160 18.996 ( 0.441 -9.667 0.423) 9.686 19.459 ( 0.374 -1.710 -8.403) 8.584 21.093 ( 17.689 9.024 10.249) 22.346 21.669 ( -12.799 -8.302 -6.018) 16.400 23.476 ( 1.852 3.673 -3.673) 5.515 23.531 ( -7.848 2.430 -6.059) 10.208 ======================= Grid point 559 (284/361) ======================= q-point: (-0.20 0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 5.788 2.148 9.792) 11.576 2.753 ( 3.788 0.800 0.008) 3.871 3.043 ( 2.343 -4.920 3.460) 6.455 3.175 ( -2.810 -8.928 -0.893) 9.403 3.595 ( -0.055 -0.231 -2.921) 2.930 3.911 ( -6.769 -2.000 -8.250) 10.857 4.305 ( 3.049 0.105 -0.801) 3.154 4.517 ( 4.173 1.911 -3.199) 5.595 5.706 ( -3.208 -2.194 8.790) 9.610 5.917 ( -11.590 2.839 -2.714) 12.237 5.993 ( -3.922 6.755 7.551) 10.864 6.215 ( -6.232 0.667 -1.827) 6.529 6.384 ( 7.858 -3.354 3.168) 9.112 6.457 ( 6.771 2.285 1.235) 7.252 7.005 ( -4.753 -23.637 6.468) 24.962 7.168 ( 1.059 -10.309 6.866) 12.432 9.000 ( -7.610 1.900 8.578) 11.623 9.084 ( -9.406 3.932 11.037) 15.025 9.153 ( -2.196 0.171 2.806) 3.567 9.720 ( 2.250 7.003 -3.264) 8.047 10.150 ( -2.366 -4.427 6.259) 8.023 10.788 ( -7.577 9.612 -6.916) 14.058 11.155 ( 11.990 -2.384 -14.817) 19.209 11.232 ( 16.452 10.115 -2.599) 19.487 12.600 ( -5.077 3.129 6.789) 9.037 12.829 ( -10.450 -1.425 5.194) 11.756 12.963 ( 4.023 7.784 -3.560) 9.458 13.363 ( 8.485 -4.222 -6.842) 11.689 18.030 ( 4.631 0.986 5.937) 7.594 18.186 ( -5.857 2.130 -10.206) 11.959 19.028 ( -9.067 -4.743 2.392) 10.508 19.506 ( 11.502 -5.331 -4.369) 13.410 21.053 ( -25.645 -4.748 -0.982) 26.099 21.769 ( 26.819 5.838 2.282) 27.542 23.334 ( -5.915 3.588 -2.860) 7.486 23.505 ( 6.074 0.353 -1.353) 6.233 ======================= Grid point 560 (285/361) ======================= q-point: (-0.10 -0.70 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.681 ( -0.445 2.623 4.387) 5.131 2.839 ( 10.255 1.364 -1.940) 10.526 3.119 ( 2.941 -6.737 1.718) 7.549 3.292 ( 2.026 -6.976 0.878) 7.317 3.597 ( -0.772 -2.885 3.695) 4.751 3.736 ( -4.474 0.098 -7.608) 8.827 4.264 ( 2.318 5.196 -4.284) 7.122 4.598 ( 4.225 -0.794 4.825) 6.462 5.618 ( -18.751 2.046 -3.375) 19.162 5.727 ( -9.987 0.792 4.453) 10.963 5.940 ( -5.177 6.530 3.972) 9.232 6.100 ( -6.453 2.039 -1.302) 6.891 6.416 ( 4.135 0.567 -6.250) 7.516 6.574 ( 8.837 3.706 0.506) 9.596 7.181 ( -4.347 -22.806 1.784) 23.286 7.473 ( 3.822 -14.478 13.321) 20.042 8.869 ( -11.262 8.240 2.436) 14.166 9.061 ( -5.935 4.034 8.600) 11.201 9.221 ( -1.867 -2.177 9.642) 10.060 9.630 ( 0.441 7.623 -6.995) 10.355 10.279 ( 0.512 -13.279 3.388) 13.714 10.592 ( -2.279 7.485 3.437) 8.546 11.189 ( 15.965 -3.306 -17.045) 23.586 11.428 ( 20.191 7.730 4.330) 22.050 12.503 ( -5.471 8.650 1.081) 10.292 12.824 ( -8.839 -5.670 6.852) 12.539 12.886 ( -0.665 5.163 -1.855) 5.526 13.410 ( 9.228 2.269 -8.586) 12.807 17.841 ( -11.049 1.389 -12.383) 16.654 18.256 ( 7.201 1.632 9.080) 11.703 18.943 ( -8.735 -0.958 1.092) 8.855 19.635 ( 2.488 -0.561 0.854) 2.689 20.688 ( -19.297 -10.479 -13.585) 25.821 22.163 ( 24.105 8.589 11.994) 28.261 23.225 ( -1.849 1.355 -2.614) 3.477 23.611 ( 8.175 -0.258 2.174) 8.463 ======================= Grid point 565 (286/361) ======================= q-point: ( 0.40 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.661 ( -11.854 0.000 10.588) 15.894 2.940 ( 2.663 -0.000 7.349) 7.817 3.057 ( -10.777 0.000 4.447) 11.659 3.077 ( -13.801 0.000 -5.571) 14.883 3.390 ( 3.221 -0.000 -2.530) 4.095 3.810 ( 4.846 -0.000 6.176) 7.851 4.396 ( 2.028 -0.000 -2.460) 3.188 4.701 ( -6.126 0.000 -6.848) 9.189 5.242 ( 3.606 -0.000 12.608) 13.113 5.634 ( -3.943 0.000 7.362) 8.351 5.919 ( -0.650 0.000 21.149) 21.159 5.919 ( 8.139 -0.000 2.636) 8.555 6.038 ( -13.340 0.000 3.368) 13.759 6.274 ( -9.358 0.000 8.964) 12.958 6.731 ( -3.822 0.000 -6.184) 7.270 7.174 ( 4.317 -0.000 -11.313) 12.108 8.826 ( -12.378 0.000 18.084) 21.914 8.832 ( 3.769 -0.000 2.888) 4.748 9.488 ( -15.737 0.000 11.758) 19.645 9.843 ( 6.840 -0.000 3.093) 7.507 10.594 ( -1.423 0.000 -18.480) 18.535 11.023 ( 12.994 -0.000 -20.926) 24.632 11.557 ( 15.799 -0.000 -15.398) 22.061 11.733 ( -10.438 0.000 2.389) 10.708 12.401 ( -8.223 0.000 9.760) 12.762 12.558 ( 8.442 -0.000 7.538) 11.318 13.048 ( 6.107 -0.000 -6.369) 8.824 13.437 ( -7.043 0.000 4.358) 8.283 17.730 ( 4.141 -0.000 -13.120) 13.758 17.805 ( 6.886 -0.000 18.815) 20.036 19.376 ( -12.468 0.000 -10.118) 16.056 19.568 ( -0.210 0.000 -2.328) 2.338 20.311 ( 34.295 -0.000 0.123) 34.296 21.985 ( -19.315 0.000 6.358) 20.334 23.830 ( -2.258 0.000 -7.858) 8.176 23.889 ( -9.596 0.000 -1.967) 9.796 ======================= Grid point 567 (287/361) ======================= q-point: (-0.50 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( -12.591 4.268 7.166) 15.103 2.851 ( -5.601 7.472 3.636) 10.021 2.880 ( -11.036 -2.070 -0.458) 11.238 3.164 ( -0.962 -8.252 3.466) 9.002 3.431 ( 4.980 -3.233 -1.613) 6.153 3.972 ( 1.941 -1.639 8.754) 9.115 4.394 ( 6.629 4.792 -8.228) 11.602 4.505 ( -6.077 -4.321 -9.017) 11.700 5.421 ( 2.356 0.047 10.132) 10.402 5.695 ( -2.242 -3.557 10.364) 11.184 5.991 ( -1.159 2.240 6.539) 7.008 6.057 ( 3.383 3.610 9.120) 10.376 6.170 ( 0.234 -3.011 16.333) 16.610 6.293 ( -7.733 -6.197 8.675) 13.170 6.596 ( -5.687 -0.395 -5.419) 7.865 7.113 ( 4.810 -1.014 -10.824) 11.888 8.877 ( -12.538 0.263 20.508) 24.038 8.938 ( 2.334 -2.204 5.315) 6.210 9.387 ( -14.705 1.260 7.425) 16.521 9.922 ( 4.465 3.256 -0.522) 5.551 10.353 ( -2.769 2.249 -13.558) 14.020 10.982 ( 14.845 -0.178 -18.337) 23.594 11.512 ( 10.471 6.327 -16.470) 20.516 11.583 ( -11.328 0.846 -2.333) 11.597 12.430 ( -6.371 -1.726 10.660) 12.538 12.805 ( 13.722 0.477 7.151) 15.481 13.049 ( 3.546 -0.118 -5.060) 6.180 13.341 ( -12.590 -0.724 2.466) 12.850 17.714 ( 8.023 -0.463 -3.842) 8.908 18.143 ( 7.478 -4.076 16.075) 18.192 19.062 ( -11.632 2.497 -9.830) 15.433 19.516 ( -1.600 -2.704 -6.810) 7.500 20.806 ( 37.142 2.892 1.120) 37.271 21.774 ( -22.495 -2.984 3.750) 23.000 23.658 ( -3.448 5.184 -6.297) 8.856 23.740 ( -9.008 -3.049 -6.016) 11.253 ======================= Grid point 568 (288/361) ======================= q-point: (-0.40 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.508 ( -0.289 4.577 7.686) 8.951 2.749 ( -7.923 0.538 3.661) 8.744 2.866 ( 1.825 -1.322 3.815) 4.431 3.142 ( -6.418 -3.931 -4.198) 8.618 3.553 ( 5.817 -2.048 1.886) 6.449 4.016 ( -15.490 -2.998 6.646) 17.120 4.273 ( 10.170 2.373 -14.059) 17.513 4.501 ( 6.497 -3.044 -5.275) 8.905 5.548 ( -1.091 -2.213 8.489) 8.841 5.875 ( 2.908 -8.336 4.548) 9.932 6.071 ( 2.191 1.411 10.729) 11.041 6.154 ( -1.204 7.386 11.608) 13.812 6.329 ( -5.155 -2.730 1.227) 5.961 6.342 ( -1.802 -3.774 8.031) 9.055 6.522 ( -3.663 -6.696 5.620) 9.478 7.061 ( 3.763 -1.369 -9.652) 10.450 8.962 ( -12.418 0.309 22.583) 25.774 9.043 ( -0.271 -2.500 5.742) 6.269 9.249 ( -10.625 2.053 2.643) 11.140 9.910 ( 2.050 5.418 -1.935) 6.107 10.174 ( -4.748 0.413 -6.234) 7.848 10.991 ( 15.757 0.301 -16.661) 22.934 11.353 ( -10.256 5.044 -5.576) 12.717 11.404 ( 10.486 8.530 -12.445) 18.374 12.498 ( -5.373 -3.072 10.576) 12.254 12.972 ( -1.320 -0.117 -1.821) 2.252 13.092 ( 8.692 5.887 3.157) 10.963 13.202 ( -5.932 -4.023 -0.472) 7.184 17.851 ( 9.231 -0.362 5.004) 10.506 18.373 ( -0.257 -0.488 3.716) 3.757 18.856 ( -4.508 -5.527 -2.567) 7.580 19.427 ( 1.491 -1.609 -9.809) 10.051 21.251 ( 18.241 8.517 4.994) 20.742 21.535 ( -8.722 -7.052 -3.195) 11.663 23.530 ( -1.084 2.368 -3.986) 4.761 23.559 ( -7.637 0.753 -5.605) 9.503 ======================= Grid point 569 (289/361) ======================= q-point: (-0.30 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 3.378 3.772 9.201) 10.502 2.763 ( 4.690 0.113 4.255) 6.334 2.994 ( 6.153 -1.548 1.498) 6.519 3.040 ( -3.717 -5.633 -2.403) 7.164 3.611 ( -0.276 2.150 0.777) 2.302 3.831 ( -15.381 -6.354 -2.690) 16.858 4.308 ( 8.829 0.587 -4.245) 9.814 4.543 ( 7.164 0.708 -5.704) 9.185 5.634 ( -5.607 -5.289 7.355) 10.654 5.887 ( -6.202 -4.571 -6.532) 10.101 6.145 ( -7.133 6.675 8.093) 12.686 6.230 ( -4.030 2.633 4.790) 6.791 6.344 ( 7.669 -0.441 6.511) 10.070 6.435 ( 2.410 -6.157 3.765) 7.608 6.694 ( 0.174 -10.300 8.398) 13.290 7.036 ( 4.043 -4.453 -4.830) 7.714 9.026 ( -11.540 1.175 14.766) 18.778 9.105 ( -5.414 -0.562 8.332) 9.953 9.163 ( -5.579 0.863 6.303) 8.462 9.844 ( 1.728 6.040 -4.735) 7.867 10.069 ( -6.830 -4.162 -0.277) 8.003 10.958 ( 3.250 7.667 -9.606) 12.713 11.145 ( 4.128 2.251 -11.220) 12.165 11.402 ( 15.936 8.348 -5.391) 18.781 12.582 ( -5.398 -3.571 10.794) 12.586 12.854 ( -11.204 2.971 1.282) 11.662 13.014 ( -4.086 -2.056 -5.943) 7.500 13.358 ( 15.000 3.640 1.075) 15.473 18.054 ( 5.735 1.512 8.888) 10.685 18.217 ( -8.085 1.209 -10.626) 13.407 18.939 ( -1.333 -4.886 5.719) 7.639 19.412 ( 10.593 -4.788 -8.638) 14.482 21.002 ( -30.008 -1.377 -3.675) 30.264 21.853 ( 33.408 3.694 1.889) 33.664 23.395 ( -5.909 3.288 -2.645) 7.262 23.505 ( 2.687 -0.408 -0.690) 2.804 ======================= Grid point 570 (290/361) ======================= q-point: (-0.20 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.711 ( -6.242 0.254 13.704) 15.061 2.890 ( 10.844 4.817 -6.981) 13.767 3.030 ( 8.427 -3.671 1.256) 9.278 3.186 ( 4.221 -4.307 4.462) 7.502 3.549 ( -5.158 -3.729 -2.212) 6.738 3.708 ( -5.055 -2.041 -0.313) 5.461 4.347 ( 7.063 3.596 -5.782) 9.811 4.579 ( 3.712 -0.304 1.177) 3.906 5.603 ( -14.241 -3.203 -0.111) 14.597 5.719 ( -9.658 -1.977 -2.654) 10.209 6.077 ( -6.257 5.548 4.851) 9.667 6.150 ( -6.752 5.819 2.302) 9.206 6.418 ( 3.262 -0.661 -4.007) 5.209 6.631 ( 10.503 0.388 1.715) 10.649 6.831 ( -2.402 -13.425 2.870) 13.937 7.221 ( 8.405 -13.347 5.641) 16.751 8.978 ( -10.668 3.674 6.521) 13.032 9.087 ( -6.754 -0.034 5.895) 8.965 9.219 ( -6.333 1.590 14.781) 16.159 9.757 ( 2.717 6.383 -6.319) 9.384 10.045 ( -7.107 -11.842 0.718) 13.829 10.784 ( -3.046 12.618 1.734) 13.096 11.140 ( 15.760 -2.064 -16.841) 23.157 11.559 ( 19.420 6.739 0.776) 20.571 12.630 ( -6.137 4.511 5.673) 9.497 12.715 ( -10.860 -4.602 6.024) 13.244 12.918 ( -2.306 -1.830 -5.923) 6.614 13.500 ( 13.424 7.307 -2.614) 15.506 17.863 ( -12.110 1.023 -13.487) 18.155 18.285 ( 6.040 1.580 10.425) 12.151 18.952 ( -2.657 2.299 0.683) 3.579 19.579 ( 11.154 -5.976 -1.578) 12.753 20.536 ( -27.803 -6.276 -9.886) 30.169 22.291 ( 29.162 5.476 4.897) 30.073 23.272 ( -3.975 4.147 -1.279) 5.885 23.596 ( 6.096 -1.566 4.017) 7.467 ======================= Grid point 571 (291/361) ======================= q-point: (-0.10 -0.60 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.750 ( -11.194 2.787 12.464) 16.983 2.851 ( 3.282 1.780 -6.978) 7.914 3.166 ( 0.872 -4.249 -2.402) 4.959 3.330 ( 9.497 -0.918 3.637) 10.211 3.558 ( 0.030 -6.852 1.697) 7.059 3.712 ( 3.791 1.734 1.187) 4.335 4.336 ( 9.096 5.189 -5.629) 11.889 4.669 ( -1.462 -3.551 6.885) 7.883 5.340 ( -17.283 3.049 -2.886) 17.785 5.584 ( -11.761 -1.417 -0.105) 11.847 5.960 ( -7.244 8.731 1.141) 11.402 6.016 ( -8.011 3.909 0.029) 8.914 6.406 ( 5.358 0.346 -6.721) 8.602 6.730 ( 8.289 4.605 -0.838) 9.519 7.003 ( 0.454 -18.461 3.168) 18.736 7.506 ( 3.959 -14.121 3.895) 15.174 8.831 ( -11.694 8.080 4.779) 14.996 9.073 ( -8.771 -0.503 8.365) 12.131 9.297 ( -3.383 0.327 11.208) 11.712 9.610 ( -1.974 9.407 -7.280) 12.057 10.131 ( 0.130 -18.249 0.163) 18.250 10.758 ( 2.011 6.253 8.670) 10.878 11.182 ( 16.499 -3.103 -17.924) 24.559 11.799 ( 18.337 4.976 2.012) 19.106 12.525 ( -2.419 6.677 0.827) 7.150 12.718 ( -9.640 -4.913 5.465) 12.122 12.850 ( -3.570 -0.588 0.050) 3.619 13.533 ( 10.825 11.111 -6.430) 16.792 17.554 ( -11.031 -0.235 -9.281) 14.418 18.482 ( 6.079 0.621 10.582) 12.220 18.867 ( -2.581 4.413 -3.929) 6.448 19.641 ( -8.289 3.772 2.343) 9.403 20.225 ( -6.304 -14.127 -13.079) 20.258 22.661 ( 19.356 6.433 8.357) 22.043 23.179 ( -1.181 1.444 -3.355) 3.839 23.784 ( 8.715 -0.227 8.138) 11.926 ======================= Grid point 577 (292/361) ======================= q-point: (-0.50 0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( -0.503 0.000 6.458) 6.477 2.755 ( -6.038 -0.000 1.728) 6.280 2.853 ( -1.073 -0.000 3.172) 3.348 3.108 ( -5.603 -0.000 -2.248) 6.037 3.537 ( 7.843 -0.000 4.606) 9.095 3.983 ( -18.098 -0.000 8.033) 19.801 4.296 ( 8.917 -0.000 -15.530) 17.908 4.471 ( 8.431 -0.000 -4.675) 9.640 5.524 ( -2.378 -0.000 7.543) 7.909 5.797 ( 1.851 -0.000 5.697) 5.990 6.087 ( 2.184 -0.000 10.068) 10.303 6.229 ( 1.876 0.000 5.934) 6.224 6.289 ( -1.672 0.000 8.393) 8.558 6.304 ( -6.330 -0.000 11.211) 12.875 6.472 ( -4.999 -0.000 2.328) 5.514 7.052 ( 6.118 -0.000 -11.816) 13.306 8.965 ( -14.156 -0.000 24.940) 28.677 9.020 ( 1.213 -0.000 5.297) 5.434 9.267 ( -12.077 -0.000 3.358) 12.535 9.961 ( 3.171 -0.000 -4.200) 5.263 10.173 ( -5.468 -0.000 -7.988) 9.680 10.992 ( 16.711 -0.000 -16.903) 23.770 11.402 ( -10.456 -0.000 -3.287) 10.960 11.486 ( 10.685 -0.000 -14.945) 18.372 12.468 ( -5.859 -0.000 11.117) 12.566 12.960 ( 3.158 0.000 -5.693) 6.510 13.158 ( 14.734 0.000 5.547) 15.744 13.161 ( -17.122 -0.000 2.949) 17.374 17.848 ( 9.473 -0.000 5.649) 11.029 18.367 ( 2.415 -0.000 6.679) 7.103 18.808 ( -8.138 -0.000 -4.462) 9.281 19.411 ( 2.396 -0.000 -10.216) 10.493 21.363 ( 38.588 -0.000 1.428) 38.615 21.437 ( -27.117 0.000 -0.948) 27.134 23.556 ( -3.495 -0.000 -5.840) 6.806 23.560 ( -6.276 0.000 -3.470) 7.171 ======================= Grid point 579 (293/361) ======================= q-point: (-0.40 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.689 ( 5.187 4.013 6.715) 9.386 2.750 ( 1.203 -1.777 6.050) 6.419 2.947 ( 4.285 -2.178 7.026) 8.513 3.006 ( 2.237 -0.044 -7.822) 8.136 3.658 ( -1.234 2.639 3.381) 4.463 3.726 ( -20.044 -4.538 0.140) 20.552 4.324 ( 11.181 0.786 -6.936) 13.181 4.540 ( 9.318 -0.570 -5.471) 10.821 5.552 ( -7.089 -2.928 6.681) 10.172 5.806 ( -4.829 -3.155 -3.359) 6.675 6.199 ( -8.480 2.083 3.571) 9.434 6.287 ( -2.170 -2.221 2.893) 4.244 6.314 ( 6.090 -2.144 7.786) 10.115 6.383 ( 1.381 4.224 8.438) 9.536 6.584 ( 2.461 -4.065 11.446) 12.393 6.999 ( 6.452 -0.506 -11.561) 13.249 9.042 ( -16.115 0.609 19.977) 25.674 9.091 ( -1.801 -0.643 6.583) 6.855 9.174 ( -6.814 0.333 6.975) 9.757 9.919 ( 2.293 2.302 -6.719) 7.463 10.015 ( -9.515 -1.764 -2.783) 10.070 11.025 ( 17.091 1.014 -17.373) 24.391 11.222 ( -7.089 3.965 -2.801) 8.592 11.504 ( 14.237 2.916 -7.488) 16.348 12.528 ( -5.846 -1.831 11.033) 12.620 12.891 ( -3.858 0.699 -4.154) 5.712 12.963 ( -13.513 -1.884 0.053) 13.643 13.427 ( 15.859 2.589 3.797) 16.512 18.076 ( 7.478 0.806 11.394) 13.653 18.228 ( -11.234 0.207 -12.124) 16.530 18.874 ( 4.897 -2.085 9.781) 11.135 19.352 ( 8.347 -1.817 -12.133) 14.839 20.991 ( -30.918 -0.138 -5.863) 31.469 21.897 ( 36.555 1.231 0.766) 36.584 23.448 ( -4.198 2.709 -1.410) 5.191 23.488 ( -0.943 -1.641 -0.656) 2.003 ======================= Grid point 580 (294/361) ======================= q-point: (-0.30 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -11.193 -0.067 12.466) 16.754 2.958 ( 11.801 -0.296 1.811) 11.943 3.010 ( 12.318 3.655 -5.024) 13.796 3.142 ( 6.908 -1.100 5.083) 8.646 3.445 ( -12.676 -7.011 -2.093) 14.636 3.702 ( -2.773 1.077 3.057) 4.265 4.389 ( 9.199 1.506 -4.828) 10.498 4.591 ( 6.077 0.970 -3.644) 7.152 5.531 ( -11.789 -4.125 4.593) 13.308 5.669 ( -9.055 -3.024 -5.397) 10.966 6.108 ( -8.690 0.275 3.882) 9.522 6.276 ( -2.975 3.684 1.412) 4.941 6.400 ( 0.644 0.505 2.010) 2.170 6.529 ( 3.137 -5.679 5.087) 8.244 6.789 ( 8.742 2.140 1.595) 9.141 7.025 ( 9.638 -8.188 -3.537) 13.132 8.987 ( -14.186 -1.281 8.685) 16.683 9.118 ( -3.370 2.861 5.772) 7.270 9.241 ( -8.511 0.457 18.143) 20.046 9.844 ( 1.511 2.985 -6.550) 7.355 9.884 ( -9.782 -5.837 -0.709) 11.413 10.987 ( 3.141 8.768 -5.799) 10.971 11.122 ( 8.806 0.401 -11.357) 14.377 11.650 ( 17.447 3.183 -1.314) 17.783 12.597 ( -6.920 -3.393 11.169) 13.570 12.743 ( -10.228 3.448 1.823) 10.947 12.854 ( -3.128 -4.351 -5.674) 7.804 13.623 ( 14.197 5.587 0.086) 15.257 17.876 ( -13.013 0.400 -14.512) 19.496 18.308 ( 5.028 0.920 11.669) 12.740 19.022 ( 3.719 5.222 4.195) 7.661 19.442 ( 14.629 -8.558 -6.328) 18.091 20.467 ( -32.157 -1.993 -9.091) 33.477 22.354 ( 31.676 1.914 -1.478) 31.768 23.364 ( -3.272 5.844 1.998) 6.989 23.553 ( 3.592 -3.311 5.124) 7.079 ======================= Grid point 581 (295/361) ======================= q-point: (-0.20 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.709 ( -14.625 -2.733 14.810) 20.993 2.926 ( -9.423 -0.769 -3.801) 10.190 3.133 ( 9.584 2.917 0.090) 10.018 3.313 ( 13.066 -1.406 1.992) 13.291 3.463 ( 1.973 -2.849 -0.979) 3.601 3.729 ( 4.461 0.149 4.264) 6.173 4.423 ( 10.028 4.076 -7.320) 13.067 4.623 ( -0.687 -1.167 3.244) 3.516 5.375 ( -14.717 1.256 0.223) 14.773 5.536 ( -9.434 -3.570 -1.372) 10.179 6.021 ( -7.834 0.631 0.033) 7.860 6.175 ( -5.172 10.439 1.779) 11.785 6.409 ( 3.854 -0.018 -4.969) 6.288 6.698 ( 2.016 -13.588 4.826) 14.560 6.830 ( 7.511 4.786 -3.689) 9.640 7.268 ( 10.226 -12.393 -1.072) 16.103 8.889 ( -16.146 -2.349 6.725) 17.647 9.097 ( -5.068 5.246 7.292) 10.314 9.324 ( -6.633 1.693 15.180) 16.652 9.720 ( -7.480 1.247 -3.249) 8.250 9.885 ( 1.728 -7.728 -0.768) 7.956 10.898 ( -0.902 8.934 3.752) 9.732 11.133 ( 14.294 -2.306 -16.518) 21.965 11.868 ( 17.029 2.425 0.367) 17.205 12.601 ( -7.455 0.443 2.266) 7.805 12.662 ( -5.764 0.909 7.225) 9.287 12.807 ( -1.802 -4.045 -2.170) 4.931 13.718 ( 12.183 9.022 -4.066) 15.696 17.550 ( -11.300 -0.276 -10.245) 15.255 18.483 ( 4.551 -0.332 7.536) 8.810 19.000 ( 2.806 10.417 -2.969) 11.189 19.658 ( 5.171 -3.440 1.200) 6.326 19.994 ( -20.601 -10.256 -9.838) 25.028 22.702 ( 24.264 -0.874 -3.651) 24.553 23.287 ( -3.697 9.419 3.579) 10.732 23.759 ( 8.370 -2.565 10.231) 13.465 ======================= Grid point 582 (296/361) ======================= q-point: (-0.10 -0.50 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.644 ( -20.440 -3.979 8.108) 22.347 2.773 ( -11.413 -1.839 2.143) 11.758 3.230 ( 10.393 5.727 -0.889) 11.899 3.417 ( 0.511 -2.582 -2.260) 3.469 3.565 ( 6.006 -4.761 5.046) 9.176 3.868 ( 8.693 5.671 2.255) 10.622 4.454 ( 12.392 3.035 -6.099) 14.141 4.670 ( -5.766 -3.430 8.386) 10.739 5.154 ( -14.667 5.011 2.141) 15.646 5.434 ( -4.484 -1.383 -1.864) 5.050 5.864 ( -8.506 2.187 -5.122) 10.168 6.002 ( -6.982 12.146 0.927) 14.040 6.419 ( 4.854 -0.083 -2.800) 5.604 6.850 ( 6.155 4.021 -2.687) 7.828 6.937 ( 6.263 -14.747 2.763) 16.258 7.430 ( 1.209 -11.489 -2.889) 11.909 8.738 ( -18.007 -0.073 5.923) 18.956 9.065 ( -7.496 3.996 8.737) 12.186 9.396 ( -3.141 2.076 10.826) 11.462 9.571 ( -1.424 3.967 -5.248) 6.731 10.020 ( 1.464 -12.824 3.327) 13.329 10.911 ( 0.092 2.575 7.372) 7.809 11.152 ( 14.638 -3.415 -18.312) 23.690 12.034 ( 10.440 2.934 -2.360) 11.098 12.540 ( -4.671 0.075 1.887) 5.038 12.639 ( -3.011 1.137 0.641) 3.281 12.822 ( -1.422 -2.404 3.740) 4.668 13.709 ( 10.480 12.580 -7.306) 17.929 17.360 ( -6.688 -0.215 -0.416) 6.705 18.626 ( 6.037 -6.280 -1.864) 8.908 18.850 ( -2.413 12.899 -3.486) 13.578 19.500 ( -14.257 2.581 -0.339) 14.493 20.022 ( 5.957 -12.857 -2.799) 14.444 22.970 ( 16.738 -3.712 -2.110) 17.274 23.164 ( -5.445 11.173 1.562) 12.527 24.033 ( 9.510 -0.043 11.266) 14.743 ======================= Grid point 589 (297/361) ======================= q-point: (-0.40 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.710 ( -12.621 0.000 11.385) 16.997 2.946 ( 10.664 -0.000 3.207) 11.136 3.060 ( 16.247 -0.000 -6.610) 17.540 3.134 ( 7.782 -0.000 5.548) 9.557 3.368 ( -16.081 0.000 0.325) 16.084 3.717 ( -2.793 0.000 2.930) 4.048 4.404 ( 10.148 -0.000 -5.441) 11.514 4.599 ( 7.141 -0.000 -4.189) 8.279 5.489 ( -10.793 0.000 6.415) 12.556 5.638 ( -8.810 0.000 -5.438) 10.353 6.110 ( -11.002 0.000 5.127) 12.138 6.272 ( 2.500 -0.000 -1.663) 3.003 6.446 ( 0.253 -0.000 4.435) 4.442 6.479 ( -2.182 0.000 5.070) 5.520 6.803 ( 13.845 -0.000 7.350) 15.675 6.954 ( 8.015 -0.000 -11.872) 14.324 8.973 ( -15.317 0.000 7.869) 17.220 9.149 ( -2.347 0.000 8.231) 8.559 9.241 ( -9.042 0.000 18.366) 20.471 9.824 ( -14.943 0.000 1.453) 15.013 9.879 ( 5.222 -0.000 -9.354) 10.713 11.054 ( 17.872 -0.000 -19.511) 26.459 11.146 ( -6.260 0.000 1.731) 6.495 11.674 ( 16.199 -0.000 -1.984) 16.320 12.568 ( -6.021 0.000 11.042) 12.577 12.785 ( -11.687 0.000 2.708) 11.996 12.798 ( -2.317 0.000 -5.556) 6.020 13.675 ( 14.174 -0.000 0.680) 14.191 17.879 ( -13.347 0.000 -14.896) 20.001 18.316 ( 4.650 -0.000 12.169) 13.027 19.090 ( 7.060 -0.000 10.923) 13.006 19.342 ( 14.242 -0.000 -13.315) 19.497 20.451 ( -32.954 0.000 -9.189) 34.211 22.369 ( 32.164 -0.000 -3.948) 32.406 23.446 ( -2.022 0.000 2.991) 3.610 23.496 ( 2.139 -0.000 6.017) 6.386 ======================= Grid point 590 (298/361) ======================= q-point: (-0.30 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( -12.862 0.526 14.569) 19.441 2.851 ( -22.117 -4.384 -0.083) 22.547 3.198 ( 11.014 2.128 -3.692) 11.809 3.280 ( 14.260 -1.575 1.407) 14.416 3.473 ( 11.353 2.403 2.788) 11.935 3.719 ( 1.906 -0.912 3.674) 4.238 4.470 ( 9.702 1.257 -5.621) 11.283 4.621 ( 1.004 0.301 -1.507) 1.836 5.395 ( -13.150 0.987 5.004) 14.105 5.477 ( -7.343 -2.465 -2.935) 8.283 6.021 ( -8.947 -0.283 1.835) 9.138 6.307 ( 4.341 3.388 -0.123) 5.508 6.424 ( -1.887 2.926 -0.539) 3.523 6.513 ( -2.957 -7.130 3.406) 8.437 6.918 ( 9.195 4.265 -8.114) 12.984 7.089 ( 14.429 -7.151 -2.679) 16.325 8.832 ( -17.624 -2.289 5.130) 18.498 9.198 ( -4.174 4.355 9.961) 11.645 9.335 ( -8.108 -0.457 17.039) 18.875 9.662 ( -16.656 -3.439 6.069) 18.057 9.860 ( 8.921 0.903 -8.853) 12.601 11.034 ( 4.968 5.378 -6.853) 10.028 11.101 ( 4.581 -1.593 -7.483) 8.918 11.884 ( 15.163 -0.094 -0.374) 15.168 12.605 ( -5.554 1.311 7.068) 9.084 12.699 ( -5.176 1.431 4.294) 6.876 12.727 ( -2.446 -4.014 -3.002) 5.577 13.830 ( 12.607 3.313 -3.440) 13.481 17.546 ( -11.394 -0.119 -10.679) 15.617 18.477 ( 3.729 -0.224 4.778) 6.065 19.216 ( 6.713 13.141 1.842) 14.871 19.496 ( 14.535 -12.755 -4.064) 19.760 19.902 ( -31.157 -1.402 -7.185) 32.005 22.677 ( 23.829 -1.083 -9.206) 25.569 23.444 ( -2.017 6.514 6.316) 9.295 23.702 ( 8.527 -3.170 11.703) 14.823 ======================= Grid point 591 (299/361) ======================= q-point: (-0.20 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.547 ( -23.496 -5.493 5.711) 24.796 2.727 ( -16.008 -2.850 9.209) 18.686 3.214 ( -1.204 -4.094 -1.528) 4.533 3.499 ( 11.369 0.965 0.836) 11.440 3.545 ( 10.722 8.916 -1.402) 14.015 3.918 ( 11.281 -0.297 6.502) 13.024 4.514 ( 10.851 3.303 -7.582) 13.644 4.617 ( -3.641 -2.564 4.871) 6.600 5.237 ( -14.572 4.112 4.684) 15.849 5.400 ( -1.888 -1.946 -2.528) 3.707 5.882 ( -8.553 0.331 -5.450) 10.147 6.222 ( -5.555 11.702 -0.053) 12.953 6.418 ( 4.010 0.371 -0.769) 4.100 6.687 ( 6.605 -13.163 6.167) 15.966 6.919 ( 7.644 3.246 -5.858) 10.163 7.251 ( 8.419 -8.086 -8.315) 14.332 8.660 ( -21.445 -5.995 5.843) 23.021 9.186 ( -5.834 7.793 8.788) 13.114 9.423 ( -5.148 0.720 13.009) 14.009 9.562 ( -12.116 -3.709 4.907) 13.588 9.914 ( 8.268 -1.052 -2.270) 8.638 10.979 ( -3.605 4.446 4.596) 7.341 11.102 ( 12.884 -2.342 -16.067) 20.727 12.053 ( 9.714 -0.445 -2.062) 9.940 12.555 ( -5.595 2.705 2.492) 6.696 12.669 ( -0.281 1.356 -1.225) 1.849 12.752 ( -2.579 -4.994 3.838) 6.806 13.883 ( 11.535 6.871 -7.871) 15.564 17.357 ( -5.644 -0.099 0.080) 5.646 18.535 ( 5.412 -3.740 -9.147) 11.267 19.108 ( -3.493 15.898 -0.623) 16.289 19.526 ( -15.652 -0.043 -0.447) 15.658 19.775 ( 9.370 -14.252 0.660) 17.069 22.867 ( 17.681 -4.889 -9.882) 20.837 23.406 ( -4.039 12.363 7.295) 14.913 24.008 ( 10.553 -2.498 10.998) 15.445 ======================= Grid point 592 (300/361) ======================= q-point: (-0.10 -0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( -19.557 -7.197 5.929) 21.667 2.529 ( -26.428 -6.336 4.828) 27.602 3.301 ( 2.111 -6.972 5.006) 8.839 3.528 ( 12.271 12.084 -5.403) 18.050 3.669 ( 6.036 -1.441 1.013) 6.288 4.043 ( -2.128 8.570 7.426) 11.537 4.586 ( 13.128 1.536 -5.214) 14.209 4.688 ( -0.883 -1.390 7.772) 7.944 5.048 ( -11.808 4.259 4.071) 13.196 5.401 ( 3.267 -1.639 -2.079) 4.204 5.671 ( -8.100 -0.465 -8.314) 11.617 6.014 ( -5.547 11.795 -2.953) 13.364 6.490 ( 1.787 1.647 6.809) 7.230 6.907 ( 4.772 3.248 -5.238) 7.794 6.978 ( 11.193 -6.735 -1.998) 13.215 7.303 ( -1.012 -10.114 -0.381) 10.171 8.496 ( -21.614 -7.700 7.594) 24.168 9.120 ( -7.164 7.270 7.184) 12.482 9.484 ( -1.467 -1.845 3.699) 4.386 9.523 ( -2.599 0.163 3.723) 4.543 10.031 ( 2.400 -3.172 5.039) 6.420 10.959 ( -5.493 -0.696 4.275) 6.995 11.120 ( 14.986 -1.669 -15.646) 21.729 12.090 ( 1.587 0.649 -4.260) 4.592 12.475 ( -8.165 1.057 3.102) 8.798 12.622 ( 0.846 2.318 -5.339) 5.882 12.832 ( 0.927 -6.319 3.778) 7.421 13.849 ( 10.940 9.590 -11.300) 18.421 17.399 ( 2.419 2.663 11.230) 11.792 18.449 ( 2.091 -7.452 -21.313) 22.675 18.961 ( -2.854 11.426 6.937) 13.668 19.406 ( -2.020 2.412 0.134) 3.148 19.990 ( 3.369 -10.864 1.186) 11.436 23.038 ( 14.247 -8.530 -8.447) 18.630 23.268 ( -8.066 18.539 6.132) 21.127 24.254 ( 6.193 -1.970 6.344) 9.082 ======================= Grid point 600 (301/361) ======================= q-point: (-0.30 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -25.185 0.000 3.163) 25.383 2.699 ( -16.635 0.000 13.487) 21.416 3.174 ( -3.362 0.000 -3.237) 4.668 3.490 ( 11.903 -0.000 2.454) 12.153 3.676 ( 13.296 -0.000 -4.365) 13.994 3.890 ( 12.668 -0.000 8.551) 15.284 4.552 ( 11.040 -0.000 -5.126) 12.172 4.586 ( -4.694 0.000 1.319) 4.876 5.279 ( -14.944 0.000 5.852) 16.049 5.380 ( 0.009 -0.000 -2.870) 2.870 5.884 ( -8.438 0.000 -5.430) 10.034 6.352 ( -5.159 0.000 -5.749) 7.725 6.467 ( -5.291 0.000 9.192) 10.606 6.498 ( 15.169 -0.000 4.250) 15.754 6.952 ( 8.103 -0.000 -8.016) 11.398 7.173 ( 11.727 -0.000 -10.172) 15.524 8.599 ( -22.315 0.000 4.926) 22.852 9.272 ( -5.441 0.000 8.548) 10.133 9.423 ( -6.483 0.000 15.175) 16.502 9.517 ( -15.990 0.000 10.125) 18.926 9.913 ( 11.100 -0.000 -6.131) 12.681 11.035 ( -9.151 0.000 5.871) 10.872 11.070 ( 15.975 -0.000 -17.151) 23.438 12.044 ( 9.521 -0.000 -1.846) 9.698 12.625 ( -1.980 0.000 0.266) 1.998 12.641 ( -2.554 0.000 -0.689) 2.645 12.704 ( -3.486 0.000 4.906) 6.019 13.944 ( 11.905 -0.000 -8.288) 14.506 17.356 ( -5.256 0.000 0.307) 5.265 18.501 ( 5.210 -0.000 -11.588) 12.705 19.343 ( -17.504 0.000 -2.855) 17.735 19.457 ( 3.075 -0.000 6.429) 7.126 19.625 ( 4.986 -0.000 -2.053) 5.392 22.823 ( 17.554 -0.000 -11.114) 20.777 23.529 ( -3.386 0.000 8.535) 9.182 23.976 ( 11.443 -0.000 10.227) 15.347 ======================= Grid point 601 (302/361) ======================= q-point: (-0.20 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( -21.632 -4.843 8.968) 23.913 2.456 ( -29.732 -2.004 1.148) 29.822 3.212 ( 2.618 -2.614 7.648) 8.496 3.636 ( 5.757 0.160 0.600) 5.790 3.731 ( 12.718 6.184 -9.253) 16.900 4.138 ( -1.798 2.218 13.735) 14.028 4.602 ( 9.295 -0.529 1.277) 9.397 4.660 ( 9.486 -0.263 -2.061) 9.711 5.122 ( -14.514 2.853 4.968) 15.604 5.371 ( 3.403 -1.226 -5.073) 6.230 5.662 ( -9.063 -0.388 -9.669) 13.258 6.176 ( -4.379 5.244 -7.371) 10.050 6.536 ( -1.699 3.117 13.763) 14.213 6.854 ( 17.589 -5.608 7.605) 19.967 6.960 ( 6.332 1.668 -6.449) 9.191 7.164 ( 5.160 -4.574 -12.668) 14.423 8.363 ( -25.548 -5.081 8.668) 27.452 9.240 ( -6.156 4.698 3.836) 8.642 9.433 ( -6.566 -2.000 1.997) 7.148 9.528 ( -9.592 -0.195 18.566) 20.899 10.015 ( 9.279 -0.010 -1.138) 9.348 10.966 ( -9.719 0.715 4.816) 10.870 11.106 ( 15.436 -0.220 -13.756) 20.677 12.089 ( 1.744 -0.203 -4.143) 4.500 12.520 ( -6.923 3.297 -1.602) 7.833 12.632 ( -0.489 -1.780 -2.557) 3.154 12.734 ( -0.287 -3.177 3.157) 4.488 13.962 ( 11.586 3.202 -13.442) 18.032 17.435 ( 5.324 1.180 13.209) 14.290 18.346 ( 2.425 -3.339 -23.614) 23.972 19.137 ( -10.123 6.050 9.397) 15.079 19.488 ( 0.371 6.975 0.473) 7.001 19.777 ( 6.196 -11.486 -0.245) 13.053 22.935 ( 15.273 -2.998 -9.758) 18.370 23.532 ( -6.004 9.327 8.607) 14.040 24.200 ( 6.681 -2.915 2.860) 7.830 ======================= Grid point 602 (303/361) ======================= q-point: (-0.10 -0.30 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -28.247 -6.359 3.195) 29.130 2.209 ( -17.464 -9.573 14.990) 24.926 3.387 ( 6.639 -2.141 4.600) 8.356 3.647 ( -1.747 2.334 -0.985) 3.077 3.751 ( 14.090 3.531 -10.357) 17.840 4.109 ( -17.921 6.096 15.691) 24.588 4.655 ( 2.001 8.767 -7.170) 11.502 4.860 ( 8.365 2.844 6.231) 10.812 5.027 ( 2.223 -2.494 3.089) 4.550 5.347 ( -0.669 -6.138 -5.786) 8.461 5.521 ( 0.884 -1.594 -2.429) 3.037 5.994 ( -1.114 7.772 -5.877) 9.807 6.668 ( -0.434 5.306 15.947) 16.812 6.887 ( -1.921 5.450 -10.507) 11.991 6.987 ( 4.919 -0.694 -12.565) 13.512 7.324 ( 6.245 -6.708 13.651) 16.442 8.240 ( -18.931 -11.958 12.999) 25.891 9.142 ( -6.054 5.195 2.585) 8.386 9.394 ( -2.062 -5.188 -4.239) 7.010 9.611 ( -5.130 2.023 13.737) 14.803 10.112 ( 2.575 0.868 2.611) 3.769 10.853 ( -10.333 -2.228 -0.776) 10.599 11.171 ( 13.393 0.599 -9.019) 16.158 12.008 ( -4.438 -0.345 -5.521) 7.092 12.389 ( -7.890 -1.159 0.712) 8.006 12.593 ( -0.047 2.243 -2.501) 3.360 12.823 ( 1.385 -6.761 2.221) 7.250 13.897 ( 10.993 5.196 -17.035) 20.929 17.719 ( 11.758 7.777 14.019) 19.881 18.173 ( 5.295 -8.800 -16.745) 19.643 19.111 ( -1.587 11.347 6.723) 13.285 19.440 ( 4.037 1.838 -1.852) 4.807 19.919 ( -0.926 -11.261 0.130) 11.300 23.069 ( 13.747 -5.612 -8.007) 16.870 23.378 ( -10.586 19.576 5.600) 22.948 24.266 ( -2.581 -6.783 -3.666) 8.131 ======================= Grid point 611 (304/361) ======================= q-point: (-0.20 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( -31.345 0.000 2.717) 31.462 2.114 ( -16.557 0.000 15.619) 22.762 3.367 ( 7.572 -0.000 6.098) 9.722 3.659 ( -1.153 0.000 -2.646) 2.887 3.798 ( 12.583 -0.000 -11.893) 17.314 4.160 ( -21.654 0.000 18.646) 28.575 4.756 ( 8.159 -0.000 -4.889) 9.512 4.858 ( 17.903 -0.000 1.773) 17.991 5.028 ( -8.110 0.000 5.006) 9.531 5.274 ( -0.712 0.000 -8.721) 8.750 5.506 ( 0.054 -0.000 -2.870) 2.871 6.066 ( -0.491 0.000 -7.643) 7.659 6.729 ( -1.442 0.000 19.124) 19.179 6.943 ( 4.502 -0.000 -8.060) 9.232 6.981 ( -2.273 0.000 -17.360) 17.508 7.246 ( 17.815 -0.000 13.960) 22.633 8.117 ( -24.744 0.000 14.564) 28.712 9.196 ( -4.565 0.000 -1.165) 4.711 9.347 ( -4.749 0.000 -1.886) 5.109 9.628 ( -10.085 0.000 20.863) 23.173 10.119 ( 8.156 -0.000 -2.540) 8.543 10.840 ( -14.971 0.000 1.537) 15.050 11.180 ( 14.348 -0.000 -8.967) 16.919 12.008 ( -4.241 0.000 -6.090) 7.422 12.372 ( -8.777 0.000 -2.300) 9.073 12.614 ( -1.148 0.000 0.802) 1.400 12.757 ( 2.241 -0.000 0.946) 2.433 13.943 ( 11.420 -0.000 -18.488) 21.731 17.808 ( 17.247 -0.000 19.149) 25.771 18.072 ( 1.730 -0.000 -21.825) 21.893 19.221 ( 0.955 -0.000 10.695) 10.737 19.502 ( -3.490 0.000 -3.010) 4.609 19.768 ( 2.975 -0.000 -1.895) 3.527 23.018 ( 14.479 -0.000 -8.641) 16.861 23.587 ( -8.224 0.000 8.735) 11.997 24.175 ( -3.712 0.000 -8.105) 8.914 ======================= Grid point 612 (305/361) ======================= q-point: (-0.10 -0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -18.296 -4.567 13.451) 23.163 2.174 ( -9.854 -4.852 20.906) 23.616 3.515 ( 4.882 2.448 -3.132) 6.296 3.556 ( -1.596 -1.501 -3.658) 4.264 3.819 ( 11.312 0.309 -11.907) 16.426 4.060 ( -22.957 2.016 19.786) 30.374 4.669 ( -1.642 13.240 -6.831) 14.989 4.911 ( -2.263 -6.909 -7.327) 10.322 5.053 ( 3.735 -1.001 2.386) 4.543 5.418 ( 7.016 -1.257 11.450) 13.487 5.564 ( 14.390 -2.441 -2.071) 14.742 6.008 ( 5.218 3.551 -4.437) 7.716 6.654 ( -14.161 3.367 -13.820) 20.071 6.876 ( 0.441 0.932 -5.197) 5.299 6.930 ( -0.487 2.691 14.015) 14.280 7.602 ( 7.403 6.219 14.774) 17.656 8.094 ( -13.730 -14.047 19.672) 27.799 9.116 ( -2.193 1.874 -2.050) 3.539 9.255 ( -3.254 -3.095 -6.308) 7.743 9.737 ( -6.998 2.322 18.426) 19.847 10.155 ( 2.121 2.625 -3.337) 4.746 10.621 ( -16.423 -5.083 -1.001) 17.220 11.259 ( 10.415 1.394 -7.103) 12.683 11.846 ( -7.296 -0.312 -6.629) 9.863 12.300 ( -5.502 -2.771 4.941) 7.897 12.591 ( -0.141 1.657 -1.702) 2.380 12.817 ( 1.891 -3.552 1.005) 4.148 13.854 ( 10.727 2.041 -20.043) 22.825 17.875 ( 4.668 2.757 -14.447) 15.430 18.319 ( 23.067 -2.389 13.344) 26.755 19.252 ( -4.947 16.827 -0.875) 17.561 19.499 ( 8.913 -8.620 4.469) 13.180 19.787 ( -2.488 -6.963 -2.434) 7.784 23.122 ( 12.739 -2.876 -8.280) 15.464 23.450 ( -12.521 19.678 4.134) 23.688 23.967 ( -14.366 -13.026 -11.183) 22.385 ======================= Grid point 622 (306/361) ======================= q-point: (-0.10 -0.10 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -3.180 0.000 18.770) 19.037 2.338 ( -3.398 0.000 24.667) 24.900 3.342 ( -8.913 0.000 -8.205) 12.115 3.664 ( 12.765 -0.000 -3.349) 13.197 3.787 ( 6.300 -0.000 -13.556) 14.949 4.010 ( -16.192 0.000 16.101) 22.835 4.670 ( -3.946 0.000 -3.430) 5.228 4.671 ( -1.227 0.000 -14.317) 14.370 5.180 ( 5.222 -0.000 7.775) 9.366 5.533 ( -3.552 0.000 10.456) 11.042 5.867 ( 22.978 -0.000 1.484) 23.026 6.090 ( 10.070 -0.000 -2.754) 10.440 6.307 ( -17.921 0.000 -6.205) 18.965 6.758 ( -2.099 0.000 -9.561) 9.789 7.112 ( -4.427 0.000 15.696) 16.308 7.937 ( 6.706 -0.000 12.801) 14.451 8.087 ( -13.184 0.000 26.381) 29.492 9.073 ( 0.445 -0.000 -4.659) 4.680 9.116 ( -2.963 0.000 -6.511) 7.153 9.888 ( -7.754 0.000 21.221) 22.593 10.141 ( 4.075 -0.000 -10.231) 11.013 10.342 ( -17.689 0.000 3.002) 17.942 11.262 ( 3.542 -0.000 -11.006) 11.562 11.679 ( -6.186 0.000 -4.784) 7.820 12.313 ( -3.310 0.000 8.464) 9.088 12.572 ( 2.993 -0.000 -5.158) 5.963 12.840 ( 1.056 -0.000 1.789) 2.077 13.772 ( 9.737 -0.000 -18.524) 20.928 17.809 ( 7.134 -0.000 -10.800) 12.943 18.738 ( 18.348 -0.000 3.036) 18.597 19.181 ( -2.290 0.000 -8.199) 8.513 19.580 ( -12.953 0.000 11.206) 17.127 19.845 ( 22.149 -0.000 1.726) 22.216 23.129 ( 2.441 -0.000 -13.532) 13.750 23.447 ( -18.086 0.000 -11.087) 21.214 23.477 ( -11.017 0.000 4.994) 12.096 ======================= Grid point 623 (307/361) ======================= q-point: ( 0.00 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 5.349 -0.000 10.494) 11.779 2.682 ( -3.812 0.000 -8.652) 9.455 3.390 ( 0.331 -0.000 0.761) 0.830 3.485 ( -0.678 0.000 -10.265) 10.287 3.533 ( 5.424 -0.000 17.045) 17.887 3.851 ( -4.547 0.000 -13.277) 14.034 4.313 ( 7.572 -0.000 0.978) 7.635 4.342 ( -8.909 0.000 -2.200) 9.176 5.767 ( 1.769 -0.000 8.582) 8.762 5.873 ( -0.021 0.000 1.641) 1.641 6.008 ( -9.627 0.000 4.505) 10.629 6.157 ( 5.217 -0.000 -7.039) 8.761 6.310 ( 5.316 -0.000 1.127) 5.434 6.363 ( -1.559 0.000 -4.519) 4.781 7.725 ( 1.037 -0.000 19.065) 19.093 8.031 ( -5.495 0.000 -11.392) 12.648 8.786 ( -5.654 0.000 8.331) 10.068 8.879 ( 2.720 -0.000 -3.166) 4.174 9.207 ( -0.450 0.000 15.320) 15.327 9.551 ( 1.841 -0.000 -17.992) 18.086 10.341 ( -8.091 0.000 16.767) 18.617 10.653 ( 3.082 -0.000 -15.338) 15.645 10.795 ( 5.341 -0.000 18.257) 19.022 11.141 ( -1.691 0.000 -16.071) 16.160 12.446 ( -7.139 0.000 2.734) 7.645 12.511 ( 8.972 -0.000 -4.306) 9.952 13.103 ( -4.479 0.000 11.969) 12.779 13.360 ( 5.792 -0.000 -13.585) 14.768 17.947 ( 9.486 -0.000 6.207) 11.336 18.134 ( -9.635 0.000 -12.486) 15.771 19.411 ( -15.645 0.000 4.442) 16.264 19.474 ( 13.707 -0.000 -2.140) 13.873 21.198 ( 27.499 -0.000 21.370) 34.827 21.637 ( -27.480 0.000 -22.612) 35.587 23.309 ( -8.136 0.000 1.403) 8.256 23.342 ( 8.581 -0.000 -2.188) 8.855 ======================= Grid point 624 (308/361) ======================= q-point: ( 0.10 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( 0.052 -0.961 -10.661) 10.704 2.712 ( 9.632 -0.321 8.140) 12.615 3.370 ( -2.442 3.795 0.640) 4.558 3.402 ( -0.784 3.465 1.051) 3.705 3.603 ( -4.228 -2.398 -15.384) 16.134 3.784 ( 3.394 3.877 14.025) 14.941 4.225 ( -6.052 -1.404 0.242) 6.217 4.465 ( 8.539 -3.332 2.249) 9.438 5.776 ( -8.766 0.054 -8.217) 12.015 5.834 ( -4.224 -1.128 4.661) 6.391 5.958 ( -10.875 -1.978 9.712) 14.713 6.111 ( -1.947 -0.856 -3.713) 4.278 6.304 ( 1.482 0.082 -6.602) 6.767 6.410 ( 6.549 -0.816 1.603) 6.792 7.749 ( -5.622 11.171 -10.958) 16.627 7.922 ( 1.721 9.534 15.433) 18.222 8.804 ( -7.234 -5.037 3.925) 9.649 8.911 ( 1.765 -7.414 -1.013) 7.688 9.367 ( 0.597 -2.225 -14.520) 14.702 9.388 ( -0.660 0.290 13.577) 13.596 10.490 ( -1.445 -0.669 17.383) 17.456 10.551 ( 5.770 1.195 -10.859) 12.355 10.961 ( 8.799 2.886 -19.798) 21.856 11.125 ( 12.868 -1.090 14.228) 19.215 12.388 ( -7.698 -4.485 2.026) 9.137 12.591 ( 6.611 -4.430 -4.227) 9.011 13.157 ( -7.795 1.882 12.303) 14.686 13.254 ( 3.691 1.002 -13.687) 14.212 17.873 ( -10.034 -0.606 -8.956) 13.463 18.178 ( 8.934 -0.708 10.390) 13.721 19.227 ( -16.145 2.412 3.367) 16.667 19.599 ( 8.025 1.038 -1.062) 8.161 21.001 ( -23.940 1.120 -22.245) 32.699 21.831 ( 24.877 -1.077 22.063) 33.268 23.238 ( -4.380 -0.204 0.846) 4.466 23.457 ( 10.419 -1.027 -1.144) 10.532 ======================= Grid point 625 (309/361) ======================= q-point: ( 0.20 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 2.502 -4.361 -12.279) 13.269 2.939 ( 9.031 -1.085 5.995) 10.894 3.249 ( -4.140 4.752 -11.313) 12.950 3.362 ( -0.269 2.612 6.821) 7.309 3.537 ( -1.367 -5.671 0.549) 5.859 3.874 ( 0.212 8.879 8.609) 12.369 4.225 ( 2.154 2.029 3.433) 4.532 4.646 ( 6.298 -5.847 3.428) 9.252 5.510 ( -15.373 0.194 -6.069) 16.529 5.770 ( -12.369 -1.882 1.366) 12.586 5.922 ( -9.842 -2.710 4.502) 11.157 6.040 ( -5.276 -1.435 -2.511) 6.016 6.252 ( 4.769 0.209 -7.092) 8.549 6.542 ( 7.237 -1.739 2.174) 7.754 7.474 ( -2.256 13.740 -6.739) 15.469 7.945 ( 0.533 15.934 5.001) 16.708 8.779 ( -7.437 -4.713 2.813) 9.244 9.021 ( -0.891 -11.867 2.673) 12.197 9.236 ( -0.844 -9.259 -14.037) 16.837 9.526 ( -1.676 4.072 13.729) 14.418 10.504 ( 6.006 7.787 -4.143) 10.671 10.709 ( 4.248 0.152 12.767) 13.456 10.868 ( 16.039 1.924 -20.266) 25.917 11.480 ( 15.527 -2.213 8.257) 17.725 12.376 ( -4.651 -6.555 2.857) 8.530 12.650 ( 2.709 -6.232 -5.686) 8.861 13.114 ( -3.570 2.719 -2.454) 5.115 13.188 ( -3.435 -2.047 3.337) 5.208 17.654 ( -10.225 0.075 -4.519) 11.180 18.437 ( 7.428 -0.962 11.984) 14.132 19.010 ( -13.564 4.466 0.331) 14.284 19.657 ( -1.120 -1.502 2.071) 2.793 20.457 ( -14.130 2.451 -20.726) 25.204 22.397 ( 18.061 -1.543 19.746) 26.805 23.200 ( 0.010 2.944 -0.688) 3.023 23.629 ( 11.243 -3.814 1.954) 12.032 ======================= Grid point 626 (310/361) ======================= q-point: ( 0.30 0.00 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 5.624 -10.465 -11.755) 16.713 3.012 ( -0.294 -0.515 -14.914) 14.926 3.113 ( -3.939 0.255 12.601) 13.205 3.462 ( 3.654 1.801 6.473) 7.649 3.581 ( -0.866 -8.075 -0.848) 8.165 3.890 ( 1.363 14.400 9.870) 17.511 4.301 ( 8.923 4.631 1.507) 10.165 4.806 ( 1.800 -4.740 5.248) 7.297 5.248 ( -13.926 -0.831 -2.413) 14.158 5.580 ( -16.138 -1.288 -0.325) 16.193 5.837 ( -9.988 -3.270 -0.394) 10.517 5.927 ( -5.790 -2.396 -4.963) 7.994 6.291 ( 7.998 0.503 -1.296) 8.118 6.679 ( 6.032 -2.196 2.009) 6.727 7.276 ( 0.741 13.813 -5.699) 14.961 7.809 ( -1.528 14.724 -1.835) 14.916 8.755 ( -7.854 -6.337 1.990) 10.286 9.115 ( -7.143 -13.335 1.434) 15.196 9.200 ( 2.722 -8.795 -4.910) 10.434 9.598 ( -1.065 6.674 9.851) 11.946 10.457 ( 3.423 13.304 0.623) 13.752 10.817 ( 19.162 2.906 -18.449) 26.758 10.944 ( 3.932 -0.408 7.626) 8.590 11.751 ( 11.229 -4.409 0.871) 12.095 12.448 ( 1.639 -4.095 3.282) 5.498 12.633 ( -0.213 -4.027 -6.474) 7.627 13.021 ( -4.681 2.030 0.497) 5.126 13.248 ( -1.387 -8.802 4.329) 9.907 17.494 ( -9.111 0.940 1.654) 9.307 18.635 ( -1.922 -4.773 4.464) 6.812 18.812 ( -1.600 10.064 -0.466) 10.201 19.609 ( -14.248 -4.356 1.999) 15.032 20.136 ( 2.025 3.138 -12.716) 13.253 22.794 ( 5.691 -5.301 13.571) 15.642 23.163 ( 6.009 9.812 -2.956) 11.880 23.888 ( 11.454 -6.384 6.964) 14.848 ======================= Grid point 627 (311/361) ======================= q-point: (-0.60 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 2.305 -10.788 -7.574) 13.381 2.892 ( 4.867 -1.109 -8.476) 9.837 3.164 ( -11.496 -1.385 11.559) 16.361 3.487 ( -2.660 2.816 -0.035) 3.874 3.681 ( 5.544 -10.927 -1.844) 12.391 3.887 ( 1.296 15.727 8.557) 17.951 4.432 ( 14.310 5.267 0.482) 15.256 4.859 ( -8.970 -1.895 5.628) 10.757 5.125 ( -7.478 -4.153 3.059) 9.084 5.410 ( -7.126 -0.942 -0.030) 7.188 5.695 ( -7.751 -2.050 -5.626) 9.794 5.835 ( -4.591 -4.121 -3.420) 7.054 6.411 ( 6.472 -0.074 4.370) 7.810 6.779 ( 2.806 -1.944 0.812) 3.509 7.086 ( 1.437 11.909 -10.075) 15.665 7.657 ( -1.810 9.972 0.281) 10.139 8.698 ( -9.006 -6.203 -1.260) 11.008 9.142 ( -9.021 -12.211 4.939) 15.965 9.309 ( 6.107 -4.983 0.214) 7.885 9.615 ( -0.015 7.516 4.645) 8.835 10.390 ( -1.445 12.263 5.644) 13.577 10.815 ( 17.253 2.998 -20.061) 26.629 11.057 ( 1.146 1.085 5.605) 5.823 11.909 ( 6.257 -5.550 -1.262) 8.458 12.492 ( -0.245 -1.725 -2.783) 3.284 12.600 ( -0.204 -0.359 -2.271) 2.308 12.986 ( -1.782 1.577 4.350) 4.958 13.384 ( 1.974 -11.368 1.537) 11.640 17.452 ( -5.076 -0.495 9.054) 10.392 18.465 ( -8.462 -0.187 -14.356) 16.666 18.861 ( 6.353 7.011 5.620) 11.005 19.453 ( -11.057 -2.757 0.242) 11.398 20.106 ( 4.699 0.444 -2.186) 5.202 22.971 ( -9.625 -14.453 7.085) 18.754 23.139 ( 14.658 17.732 -3.849) 23.326 24.182 ( 8.701 -5.265 8.054) 12.973 ======================= Grid point 628 (312/361) ======================= q-point: (-0.50 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.448 ( -5.259 -0.159 -0.465) 5.282 2.854 ( -13.560 7.045 6.604) 16.646 3.197 ( 9.908 -8.225 -3.481) 13.340 3.429 ( 0.138 1.223 -0.917) 1.535 3.810 ( 0.451 4.472 0.144) 4.497 3.875 ( 2.594 -6.437 1.651) 7.134 4.555 ( 2.580 1.683 -0.494) 3.120 4.796 ( -6.281 -3.643 4.484) 8.534 5.138 ( -0.363 1.410 5.183) 5.384 5.398 ( 1.171 -0.799 -0.119) 1.423 5.564 ( -2.924 0.798 -2.974) 4.247 5.785 ( -1.825 -3.812 -3.030) 5.200 6.573 ( 3.276 -4.291 8.034) 9.680 6.774 ( -2.999 0.604 -4.908) 5.784 6.912 ( 2.179 3.867 -7.626) 8.824 7.596 ( -2.118 4.443 4.001) 6.343 8.617 ( -5.464 -0.606 1.110) 5.608 9.185 ( -6.532 -5.572 6.083) 10.522 9.425 ( 4.902 -1.643 -1.383) 5.352 9.582 ( -0.714 3.717 1.116) 3.946 10.351 ( -6.185 7.044 11.252) 14.645 10.767 ( 11.320 0.627 -17.908) 21.195 11.102 ( 1.376 2.137 2.040) 3.260 11.983 ( 1.209 -2.428 -1.885) 3.303 12.458 ( -0.533 -0.930 -2.584) 2.798 12.561 ( -3.201 0.396 1.075) 3.400 13.012 ( 0.395 3.097 3.174) 4.452 13.501 ( 4.124 -7.306 -4.105) 9.340 17.572 ( 0.745 -3.374 10.930) 11.463 18.188 ( -1.612 2.494 -14.046) 14.357 18.926 ( 1.569 0.667 1.768) 2.456 19.395 ( -0.266 -0.371 0.517) 0.690 20.133 ( 0.522 1.380 0.479) 1.551 23.005 ( -9.284 -13.137 2.718) 16.314 23.149 ( 9.867 11.278 -2.937) 15.270 24.359 ( 2.022 -1.112 2.839) 3.659 ======================= Grid point 629 (313/361) ======================= q-point: (-0.40 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.333 ( -11.098 10.607 6.952) 16.853 2.667 ( -13.513 8.319 13.060) 20.552 3.363 ( 8.831 -2.595 -6.332) 11.172 3.496 ( 8.756 -6.631 -1.554) 11.093 3.686 ( -1.552 11.004 -3.146) 11.550 4.017 ( 0.162 -17.095 -3.034) 17.363 4.437 ( -15.725 -6.102 -0.800) 16.886 4.893 ( 4.616 -2.266 3.483) 6.211 5.170 ( 5.118 8.830 -1.616) 10.333 5.422 ( 5.736 0.599 0.858) 5.831 5.565 ( 2.167 1.236 4.813) 5.421 5.797 ( 3.640 -1.372 -0.676) 3.949 6.572 ( -6.727 -2.751 -10.704) 12.938 6.792 ( 1.712 -4.193 4.950) 6.710 6.880 ( -1.521 -4.157 3.733) 5.790 7.608 ( -3.357 -2.790 5.969) 7.395 8.607 ( 1.012 7.016 7.013) 9.971 9.188 ( -1.679 4.385 2.756) 5.445 9.366 ( -1.694 5.434 -6.146) 8.377 9.627 ( -1.234 -8.596 2.554) 9.052 10.353 ( -8.789 3.645 13.533) 16.543 10.700 ( 3.503 -2.932 -12.517) 13.325 11.117 ( 2.743 1.817 -1.003) 3.440 11.928 ( -4.473 2.219 -3.246) 5.955 12.446 ( 0.442 1.332 1.206) 1.850 12.550 ( -3.317 -1.355 3.040) 4.699 12.999 ( -0.853 5.314 1.737) 5.656 13.519 ( 5.649 -2.061 -10.762) 12.328 17.654 ( 2.925 -1.499 -7.732) 8.401 18.202 ( 10.268 -2.056 8.532) 13.507 18.937 ( -3.562 -6.467 -2.036) 7.659 19.455 ( 9.871 2.622 0.107) 10.213 20.089 ( -4.115 4.325 0.387) 5.982 23.042 ( -4.785 -11.527 1.997) 12.640 23.124 ( 1.870 3.400 -4.551) 5.981 24.306 ( -6.242 4.449 -4.313) 8.795 ======================= Grid point 630 (314/361) ======================= q-point: (-0.30 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -10.029 11.628 12.726) 19.944 2.680 ( -4.785 5.695 18.398) 19.845 3.338 ( -2.360 -1.301 -8.957) 9.353 3.551 ( -1.489 0.811 -1.132) 2.039 3.631 ( 12.342 4.410 -8.115) 15.415 4.083 ( -3.409 -15.833 -6.956) 17.626 4.305 ( -10.570 -8.715 -0.064) 13.700 4.915 ( -2.053 4.480 -4.940) 6.978 5.168 ( 5.745 3.046 5.028) 8.219 5.589 ( 16.649 1.762 -1.468) 16.807 5.699 ( 4.325 1.868 12.542) 13.398 5.883 ( 8.336 -0.581 -0.764) 8.391 6.366 ( -9.914 -3.347 -7.787) 13.043 6.748 ( -3.107 0.870 -5.232) 6.147 7.090 ( -1.293 -12.063 12.982) 17.769 7.707 ( -2.838 -10.652 8.189) 13.732 8.669 ( 3.336 10.981 10.762) 15.733 9.120 ( 2.298 12.911 -1.946) 13.258 9.221 ( -4.334 3.124 -3.287) 6.273 9.710 ( -1.937 -12.367 -0.891) 12.549 10.359 ( -11.387 2.897 16.281) 20.078 10.603 ( -4.207 -1.515 -6.542) 7.924 11.110 ( 2.336 -0.587 -6.667) 7.089 11.775 ( -7.858 3.407 -2.619) 8.956 12.474 ( 1.168 2.335 3.560) 4.414 12.532 ( -3.400 1.115 1.175) 3.766 12.958 ( -1.309 5.782 3.183) 6.729 13.467 ( 8.247 -0.519 -14.516) 16.703 17.610 ( 6.610 -1.121 -9.403) 11.548 18.551 ( 16.782 -0.809 9.885) 19.493 18.891 ( -7.944 -12.469 -5.648) 15.826 19.627 ( 17.685 3.532 0.220) 18.036 19.974 ( -7.237 5.995 4.043) 10.231 23.017 ( -8.908 -5.712 -7.951) 13.236 23.117 ( 1.250 -6.748 0.520) 6.883 24.032 ( -12.552 9.463 -7.493) 17.414 ======================= Grid point 631 (315/361) ======================= q-point: (-0.20 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -2.842 5.143 14.390) 15.543 2.826 ( -2.582 3.350 19.268) 19.727 3.167 ( -6.845 -1.451 -6.658) 9.659 3.519 ( 1.254 -2.015 -7.449) 7.818 3.641 ( 10.550 4.999 -7.949) 14.123 4.042 ( -5.084 -9.497 -7.419) 13.080 4.281 ( -3.588 -8.620 -2.658) 9.708 4.729 ( -5.625 7.992 -5.348) 11.141 5.355 ( 8.651 0.067 9.322) 12.718 5.743 ( 5.422 3.007 5.377) 8.207 5.930 ( 12.026 0.439 5.479) 13.223 6.008 ( 11.933 -0.195 -3.110) 12.333 6.205 ( -7.366 -1.915 -1.481) 7.753 6.613 ( -5.598 0.682 -5.423) 7.824 7.303 ( -2.204 -9.691 10.972) 14.804 7.905 ( -2.404 -18.212 8.270) 20.146 8.742 ( 2.299 11.168 10.880) 15.760 9.018 ( 0.465 11.031 0.680) 11.061 9.103 ( -1.722 6.623 -2.499) 7.285 9.756 ( 0.385 -11.489 -8.135) 14.083 10.387 ( -17.469 -0.112 22.953) 28.845 10.473 ( -3.298 3.955 -1.619) 5.398 11.008 ( -0.388 -0.584 -13.354) 13.372 11.598 ( -10.135 0.584 -4.093) 10.946 12.464 ( 3.661 2.894 -5.610) 7.297 12.521 ( -2.285 4.941 7.528) 9.290 12.953 ( -1.660 3.124 6.421) 7.331 13.430 ( 9.755 -1.746 -14.292) 17.391 17.650 ( 8.948 -0.971 -3.914) 9.815 18.667 ( -3.088 0.200 -10.319) 10.773 18.983 ( 12.174 -9.688 2.815) 15.810 19.699 ( -4.230 2.577 -2.221) 5.428 20.095 ( 17.180 3.819 15.469) 23.432 22.753 ( -17.893 -6.550 -15.755) 24.724 23.197 ( 3.004 -4.409 -0.672) 5.377 23.684 ( -13.273 9.660 -3.701) 16.828 ======================= Grid point 632 (316/361) ======================= q-point: (-0.10 0.00 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.315 ( 1.221 1.193 12.769) 12.883 2.845 ( -7.113 0.501 -3.555) 7.967 3.203 ( 2.265 -2.461 16.468) 16.804 3.454 ( 1.351 -1.492 -7.454) 7.721 3.613 ( 4.739 1.274 -12.052) 13.013 3.980 ( -1.163 -3.585 -5.703) 6.835 4.265 ( -0.061 -3.591 -3.843) 5.260 4.518 ( -7.691 5.899 -3.586) 10.335 5.588 ( 6.629 -0.262 10.671) 12.566 5.827 ( -0.044 2.612 7.137) 7.600 6.049 ( 0.276 0.389 0.418) 0.634 6.119 ( 11.752 0.691 -6.185) 13.298 6.215 ( 4.575 -0.784 2.769) 5.405 6.469 ( -5.472 0.033 -4.714) 7.223 7.492 ( -1.344 -6.094 14.665) 15.937 8.090 ( -2.873 -17.019 -0.949) 17.285 8.783 ( -1.445 10.204 10.261) 14.543 8.921 ( 0.531 7.955 -3.166) 8.578 9.072 ( -0.751 2.510 8.758) 9.141 9.709 ( 2.212 -5.017 -15.495) 16.436 10.330 ( -14.417 1.714 12.847) 19.386 10.550 ( -1.800 0.592 18.408) 18.505 10.824 ( 0.378 0.788 -15.799) 15.823 11.376 ( -9.402 -1.459 -10.521) 14.185 12.457 ( 8.465 3.119 -5.112) 10.370 12.506 ( -4.792 4.098 4.860) 7.961 13.013 ( -2.281 -0.070 9.956) 10.214 13.412 ( 8.421 -1.702 -13.330) 15.858 17.769 ( 9.593 -0.121 1.380) 9.693 18.424 ( -8.555 0.012 -14.030) 16.433 19.265 ( 16.302 -3.722 -0.466) 16.728 19.563 ( -12.696 0.154 2.740) 12.989 20.590 ( 26.045 1.659 18.742) 32.130 22.264 ( -25.581 -2.678 -21.274) 33.379 23.264 ( 5.612 -1.345 -1.920) 6.082 23.442 ( -10.707 4.025 0.525) 11.451 ======================= Grid point 634 (317/361) ======================= q-point: ( 0.10 0.10 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.409 ( 0.920 -0.000 -12.637) 12.670 2.928 ( 8.959 -0.000 4.720) 10.127 3.297 ( -3.586 0.000 -15.716) 16.119 3.397 ( -0.330 0.000 2.762) 2.782 3.468 ( -4.243 0.000 6.971) 8.161 3.962 ( 1.180 -0.000 8.935) 9.012 4.259 ( 3.269 -0.000 7.933) 8.580 4.565 ( 5.519 -0.000 1.219) 5.652 5.514 ( -15.093 0.000 -5.995) 16.240 5.748 ( -11.886 0.000 0.937) 11.923 5.902 ( -9.650 0.000 5.697) 11.206 6.027 ( -5.400 0.000 -2.553) 5.973 6.255 ( 4.393 -0.000 -6.445) 7.799 6.525 ( 6.701 -0.000 2.691) 7.222 7.607 ( -2.692 0.000 -9.751) 10.116 8.104 ( -4.446 0.000 8.733) 9.800 8.764 ( -7.457 0.000 8.410) 11.240 8.858 ( 3.200 -0.000 -6.767) 7.486 9.151 ( -1.524 0.000 -13.622) 13.708 9.566 ( -2.228 0.000 16.093) 16.247 10.576 ( 13.149 -0.000 -8.699) 15.766 10.711 ( 3.075 -0.000 16.783) 17.062 10.894 ( 17.027 -0.000 -24.102) 29.510 11.460 ( 13.238 -0.000 10.282) 16.762 12.314 ( -4.251 0.000 4.314) 6.056 12.584 ( 3.228 -0.000 -5.228) 6.144 13.131 ( 2.062 -0.000 -13.358) 13.517 13.181 ( -11.319 0.000 12.630) 16.960 17.655 ( -9.942 0.000 -3.936) 10.693 18.429 ( 7.179 -0.000 12.366) 14.299 19.055 ( -14.135 0.000 1.831) 14.253 19.639 ( -3.959 0.000 1.980) 4.426 20.480 ( -10.990 0.000 -23.614) 26.046 22.378 ( 14.531 -0.000 22.302) 26.619 23.239 ( 3.100 -0.000 1.784) 3.577 23.587 ( 11.037 -0.000 -1.137) 11.096 ======================= Grid point 635 (318/361) ======================= q-point: ( 0.20 0.10 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.292 ( 2.779 -3.818 -12.286) 13.162 2.972 ( 2.640 -2.043 -15.394) 15.752 3.145 ( -4.140 1.749 5.979) 7.480 3.463 ( -4.846 -2.627 2.990) 6.271 3.494 ( 4.515 -0.289 4.425) 6.329 4.095 ( 2.630 7.087 13.419) 15.402 4.396 ( 7.497 5.744 5.393) 10.875 4.668 ( 0.866 -8.497 2.438) 8.882 5.261 ( -11.570 1.211 -3.001) 12.014 5.536 ( -19.622 -2.266 -0.574) 19.760 5.823 ( -9.480 0.564 3.374) 10.078 5.895 ( -5.644 -1.240 -6.065) 8.378 6.300 ( 7.108 0.360 0.184) 7.120 6.650 ( 5.515 -0.971 2.782) 6.253 7.461 ( -0.009 6.053 -7.466) 9.611 8.001 ( -10.409 6.188 -1.951) 12.266 8.722 ( -3.117 2.656 -1.683) 4.427 8.859 ( -4.286 -12.147 -1.858) 13.014 9.091 ( 3.089 -3.928 -0.282) 5.005 9.693 ( -4.001 3.055 14.529) 15.376 10.657 ( 15.188 7.307 -8.307) 18.791 10.857 ( 19.964 1.450 -22.225) 29.910 10.940 ( 3.689 -0.357 10.906) 11.519 11.690 ( 7.973 -2.118 2.163) 8.528 12.399 ( 4.597 -1.312 7.064) 8.529 12.551 ( -0.162 -3.697 -6.253) 7.266 13.017 ( 1.601 -1.321 -10.065) 10.277 13.168 ( -12.316 -1.017 13.628) 18.396 17.506 ( -9.435 0.373 1.877) 9.627 18.581 ( -4.765 -1.457 2.991) 5.811 18.952 ( -0.737 4.726 6.789) 8.305 19.544 ( -14.310 -2.391 2.823) 14.780 20.167 ( 3.337 0.700 -19.540) 19.835 22.699 ( -2.660 -3.393 14.713) 15.332 23.368 ( 13.496 9.743 4.888) 17.349 23.756 ( 10.727 -6.952 1.087) 12.829 ======================= Grid point 636 (319/361) ======================= q-point: ( 0.30 0.10 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 7.788 -8.018 -7.321) 13.362 2.843 ( 6.144 -3.612 -16.228) 17.724 3.164 ( -11.654 0.769 14.327) 18.485 3.439 ( -4.856 -5.573 -1.164) 7.482 3.602 ( 4.045 0.261 1.638) 4.372 4.174 ( 0.388 15.453 11.921) 19.521 4.526 ( 11.503 4.807 2.982) 12.818 4.753 ( -9.062 -9.026 4.626) 13.601 5.112 ( -5.555 2.209 -0.032) 5.978 5.321 ( -12.686 -7.831 0.268) 14.911 5.700 ( -6.065 2.387 -2.756) 7.076 5.793 ( -4.287 -1.729 -1.485) 4.855 6.415 ( 3.691 0.401 5.885) 6.958 6.747 ( 2.367 -1.540 1.975) 3.446 7.289 ( -0.437 10.316 -10.722) 14.885 7.747 ( -12.539 0.725 -5.078) 13.548 8.640 ( -0.353 -1.724 -5.485) 5.760 8.904 ( -6.684 -9.707 6.077) 13.260 9.233 ( 6.324 -4.591 4.294) 8.917 9.747 ( -4.449 5.839 11.095) 13.304 10.628 ( 12.015 12.752 -11.884) 21.170 10.874 ( 16.078 3.824 -16.043) 23.033 11.069 ( 2.743 -0.467 3.484) 4.458 11.817 ( 5.095 -4.198 1.130) 6.698 12.462 ( -1.699 -1.735 -3.406) 4.183 12.581 ( 4.083 -1.520 0.566) 4.393 12.970 ( 1.812 -3.170 -4.666) 5.924 13.227 ( -5.995 -5.197 13.805) 15.922 17.446 ( -7.337 -0.177 8.586) 11.295 18.416 ( -11.239 -3.022 -10.101) 15.411 19.058 ( 7.397 11.518 8.616) 16.174 19.408 ( -9.090 -2.145 0.666) 9.363 20.070 ( 4.479 -3.590 -9.724) 11.292 22.768 ( -11.626 -8.140 7.761) 16.175 23.467 ( 13.138 18.768 1.221) 22.942 24.036 ( 9.128 -11.232 6.389) 15.821 ======================= Grid point 637 (320/361) ======================= q-point: ( 0.40 0.10 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 6.120 -2.508 0.407) 6.626 2.862 ( 9.161 -6.236 -8.029) 13.685 3.135 ( -11.154 1.648 11.664) 16.223 3.396 ( -4.352 -4.648 -2.654) 6.898 3.657 ( 0.767 -5.314 -0.088) 5.370 4.126 ( -0.583 17.792 5.338) 18.585 4.568 ( -14.148 -1.355 -2.700) 14.467 4.727 ( 0.081 -2.378 8.260) 8.596 5.142 ( 5.799 -2.896 3.741) 7.484 5.321 ( -1.811 -5.343 1.081) 5.744 5.590 ( -0.297 2.315 -3.356) 4.088 5.768 ( -0.971 0.586 3.106) 3.307 6.522 ( -1.716 -1.721 8.808) 9.137 6.770 ( -3.494 -0.885 -0.217) 3.611 7.017 ( -3.621 8.051 -12.894) 15.627 7.564 ( -10.644 -7.153 -3.860) 13.393 8.641 ( 4.934 1.636 0.510) 5.223 8.980 ( -7.519 -10.638 7.610) 15.087 9.411 ( 7.271 -1.774 4.169) 8.567 9.727 ( -3.546 8.637 5.145) 10.660 10.522 ( 4.437 11.634 -5.744) 13.713 10.810 ( 9.226 4.137 -17.185) 19.939 11.133 ( 5.377 0.884 -1.714) 5.712 11.928 ( 2.059 -3.325 2.264) 4.519 12.427 ( -1.067 -2.329 -1.096) 2.787 12.584 ( -2.840 1.681 0.620) 3.358 13.000 ( 3.007 -4.409 -3.245) 6.246 13.387 ( 0.619 -4.705 9.149) 10.307 17.522 ( -2.849 -2.327 13.524) 14.016 18.155 ( -7.333 -4.211 -14.702) 16.960 19.086 ( 4.739 14.820 1.566) 15.637 19.386 ( 2.713 -0.610 1.068) 2.979 20.083 ( 0.294 -6.744 -3.124) 7.438 22.750 ( -14.472 -11.965 5.834) 19.663 23.449 ( 10.150 18.841 -2.551) 21.552 24.279 ( 2.634 -7.906 4.248) 9.354 ======================= Grid point 638 (321/361) ======================= q-point: (-0.50 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( 1.172 7.237 7.253) 10.313 2.808 ( -14.277 7.710 8.453) 18.295 3.275 ( 15.557 -8.741 -2.150) 17.973 3.362 ( -3.206 -6.083 -1.709) 7.085 3.712 ( -3.094 -10.861 -1.515) 11.395 3.983 ( 0.371 15.552 -2.624) 15.776 4.324 ( -20.307 -6.586 0.140) 21.349 4.857 ( 2.731 -1.353 5.141) 5.977 5.306 ( -2.367 1.183 -1.815) 3.209 5.342 ( 12.946 -3.039 1.606) 13.394 5.597 ( 4.366 2.179 3.450) 5.976 5.832 ( 3.818 3.640 6.362) 8.265 6.531 ( -12.142 -1.692 -3.699) 12.805 6.699 ( -3.304 -4.661 6.742) 8.837 6.852 ( -2.265 -0.274 -4.560) 5.099 7.478 ( -8.365 -11.033 -1.878) 13.972 8.740 ( 7.077 7.118 7.127) 12.310 9.060 ( -7.283 -11.913 6.513) 15.407 9.545 ( 6.942 3.513 1.995) 8.032 9.612 ( -3.118 10.377 -2.033) 11.024 10.433 ( -4.670 6.495 4.968) 9.416 10.687 ( 8.785 0.867 -19.513) 21.416 11.156 ( 4.682 2.562 -3.715) 6.503 11.954 ( -3.514 0.448 0.780) 3.627 12.449 ( 0.829 -0.799 2.156) 2.444 12.545 ( -3.946 0.701 3.800) 5.523 13.027 ( 2.050 -2.439 -3.560) 4.778 13.494 ( 1.571 -0.492 1.528) 2.246 17.634 ( 0.591 -0.618 -0.785) 1.161 18.070 ( 1.444 -11.227 2.890) 11.683 18.996 ( 1.175 11.843 -2.669) 12.197 19.497 ( 12.444 2.006 0.411) 12.611 20.086 ( -3.551 -4.766 -1.991) 6.268 22.731 ( -16.083 -15.703 5.904) 23.240 23.371 ( 8.142 16.563 -5.067) 19.139 24.319 ( -5.428 -2.771 -2.363) 6.536 ======================= Grid point 639 (322/361) ======================= q-point: (-0.40 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( -10.103 16.018 11.017) 21.909 2.756 ( -4.572 2.882 14.269) 15.258 3.306 ( -5.020 -2.543 -5.332) 7.752 3.496 ( 4.775 -5.703 -2.805) 7.949 3.719 ( 0.818 -7.592 -3.719) 8.493 3.867 ( 5.209 3.499 -9.815) 11.650 4.165 ( -13.063 -7.015 3.374) 15.206 4.915 ( -1.955 -2.824 -1.676) 3.821 5.253 ( 1.362 4.206 2.718) 5.190 5.571 ( 17.092 -2.291 -2.307) 17.399 5.740 ( 5.109 2.673 11.539) 12.899 5.931 ( 6.285 5.366 4.958) 9.637 6.305 ( -12.141 -3.284 -4.549) 13.375 6.757 ( -4.127 0.110 -3.870) 5.659 6.868 ( -2.838 -12.370 10.859) 16.703 7.485 ( -6.817 -14.126 1.891) 15.798 8.847 ( 4.185 9.627 9.462) 14.132 9.147 ( -3.650 -9.549 4.563) 11.195 9.406 ( -3.338 14.236 -3.139) 14.956 9.612 ( 4.341 2.577 -0.860) 5.121 10.394 ( -11.539 1.966 13.050) 17.530 10.585 ( 9.596 -0.566 -18.652) 20.983 11.123 ( 2.377 2.396 -6.828) 7.616 11.843 ( -9.046 3.713 -0.927) 9.822 12.499 ( 2.072 1.132 2.582) 3.499 12.554 ( -2.482 0.748 5.762) 6.318 13.023 ( 1.173 0.627 -1.524) 2.023 13.479 ( 1.673 2.166 -5.514) 6.156 17.590 ( 5.125 -0.962 -8.816) 10.242 18.385 ( 6.251 -15.952 13.509) 21.818 18.861 ( -0.579 8.186 -5.259) 9.747 19.690 ( 16.687 3.238 0.011) 16.999 20.028 ( -3.282 -0.405 -0.931) 3.435 22.704 ( -19.490 -17.895 4.259) 26.800 23.277 ( 7.961 13.180 -6.452) 16.695 24.135 ( -11.628 2.400 -7.653) 14.126 ======================= Grid point 640 (323/361) ======================= q-point: (-0.30 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( -6.681 10.538 12.539) 17.689 2.880 ( -4.238 1.968 17.551) 18.162 3.133 ( -9.481 -2.108 -6.798) 11.855 3.478 ( -0.769 -2.902 -6.980) 7.599 3.762 ( 7.936 7.754 -11.222) 15.781 3.813 ( 1.573 -13.754 -5.951) 15.068 4.163 ( -2.663 -5.485 2.678) 6.659 4.807 ( -6.993 0.371 -5.599) 8.966 5.372 ( 7.965 1.887 8.641) 11.902 5.783 ( 11.388 0.576 2.089) 11.592 5.933 ( 6.936 0.383 8.718) 11.147 6.038 ( 9.338 3.685 1.860) 10.210 6.170 ( -6.640 -1.454 -0.001) 6.798 6.625 ( -7.087 0.470 -4.252) 8.278 7.078 ( -1.528 -14.696 8.742) 17.168 7.574 ( -7.596 -18.718 4.964) 20.801 8.907 ( 3.059 9.046 6.097) 11.330 9.181 ( -1.589 3.095 -0.809) 3.572 9.258 ( -4.208 7.642 6.214) 10.711 9.616 ( 2.747 0.552 -3.625) 4.581 10.377 ( -17.331 -0.647 18.155) 25.108 10.526 ( 11.396 1.663 -13.937) 18.080 11.013 ( 0.222 1.837 -11.149) 11.302 11.631 ( -13.230 3.022 -3.694) 14.064 12.535 ( 5.497 4.788 -0.789) 7.332 12.595 ( -1.693 2.736 7.954) 8.580 13.016 ( -1.754 2.784 3.300) 4.660 13.405 ( 4.158 -0.256 -10.860) 11.632 17.627 ( 8.888 -1.517 -3.308) 9.605 18.627 ( -7.549 -7.514 -4.744) 11.660 18.840 ( 14.139 -2.422 4.466) 15.024 19.729 ( -6.364 0.169 -3.958) 7.496 20.176 ( 22.000 4.735 9.094) 24.272 22.554 ( -24.447 -14.067 -3.894) 28.472 23.231 ( 8.251 7.022 -4.569) 11.759 23.822 ( -13.571 5.545 -7.485) 16.461 ======================= Grid point 641 (324/361) ======================= q-point: (-0.20 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.362 ( -0.705 4.229 12.162) 12.896 2.859 ( -8.508 1.028 -3.931) 9.429 3.127 ( -1.237 -5.661 13.593) 14.777 3.404 ( -0.761 -4.172 -7.529) 8.641 3.644 ( 1.916 1.420 -11.134) 11.387 3.881 ( 4.207 -5.384 -6.805) 9.643 4.220 ( 2.961 -1.597 1.889) 3.858 4.615 ( -8.626 3.371 -5.296) 10.669 5.589 ( 6.744 0.471 10.745) 12.695 5.899 ( 2.219 4.769 5.723) 7.774 6.062 ( 0.542 0.835 0.793) 1.273 6.151 ( 11.364 3.404 -3.785) 12.452 6.187 ( 4.327 -2.406 4.876) 6.949 6.471 ( -7.379 0.104 -3.444) 8.143 7.300 ( 0.190 -14.668 9.511) 17.483 7.704 ( -8.208 -23.612 2.735) 25.147 8.925 ( 4.153 7.528 1.697) 8.764 9.131 ( -1.035 5.799 0.372) 5.902 9.186 ( -6.894 12.573 10.852) 17.983 9.602 ( 2.727 -3.688 -8.188) 9.385 10.353 ( -14.330 0.087 14.929) 20.694 10.571 ( 8.490 1.506 0.997) 8.680 10.856 ( 1.722 3.023 -12.712) 13.180 11.352 ( -13.233 -0.276 -8.975) 15.992 12.559 ( 9.033 8.037 -2.375) 12.322 12.612 ( -3.976 6.288 6.492) 9.873 13.016 ( -4.331 0.695 7.836) 8.980 13.358 ( 6.488 -4.003 -12.858) 14.948 17.766 ( 9.911 -0.305 2.583) 10.246 18.425 ( -8.427 0.213 -11.490) 14.250 19.154 ( 14.963 -8.009 2.116) 17.103 19.556 ( -12.606 -1.282 -1.171) 12.725 20.643 ( 28.019 4.081 15.446) 32.254 22.174 ( -27.662 -7.129 -14.247) 31.922 23.265 ( 7.507 2.151 -2.026) 8.067 23.531 ( -11.444 5.068 -3.433) 12.979 ======================= Grid point 642 (325/361) ======================= q-point: (-0.10 0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.503 ( 4.788 1.191 10.416) 11.525 2.689 ( -3.621 0.785 -8.290) 9.080 3.317 ( -1.597 -7.725 4.504) 9.084 3.395 ( 1.655 -6.975 -2.844) 7.712 3.579 ( 1.562 2.434 4.794) 5.599 3.819 ( -1.317 -2.333 -12.822) 13.099 4.325 ( 5.185 1.669 3.792) 6.637 4.403 ( -6.468 4.314 -4.358) 8.913 5.771 ( 1.935 0.702 9.463) 9.684 5.907 ( 0.167 3.131 -1.652) 3.544 6.024 ( -9.299 2.023 6.443) 11.493 6.177 ( 4.523 2.280 -6.515) 8.253 6.313 ( 5.950 0.296 1.434) 6.128 6.362 ( -1.782 -0.204 -3.747) 4.154 7.590 ( 2.544 -14.024 14.590) 20.396 7.793 ( -7.128 -22.060 -5.323) 23.786 8.936 ( 3.156 8.589 1.949) 9.356 8.963 ( -5.701 11.345 -0.869) 12.727 9.229 ( -3.219 2.776 15.524) 16.095 9.536 ( 3.284 -0.918 -14.070) 14.477 10.367 ( -7.779 1.860 15.734) 17.650 10.640 ( 1.785 -0.844 -10.334) 10.521 10.827 ( 9.270 3.626 9.369) 13.670 11.101 ( -3.663 -3.594 -14.848) 15.710 12.523 ( -7.004 7.800 2.989) 10.901 12.582 ( 8.952 7.598 -3.392) 12.221 13.080 ( -5.133 -2.510 11.377) 12.731 13.327 ( 5.791 -3.581 -13.200) 14.853 17.954 ( 9.369 0.832 6.905) 11.669 18.148 ( -9.322 1.489 -12.220) 15.442 19.370 ( -11.670 -4.698 4.513) 13.365 19.444 ( 10.402 -3.299 -3.072) 11.337 21.213 ( 26.248 1.700 20.126) 33.120 21.619 ( -26.400 -1.980 -20.419) 33.434 23.325 ( -3.385 1.816 0.920) 3.950 23.358 ( 3.604 1.745 -2.474) 4.707 ======================= Grid point 645 (326/361) ======================= q-point: ( 0.20 0.20 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.226 ( 8.814 -0.000 -6.947) 11.223 2.804 ( 6.273 -0.000 -18.433) 19.471 3.174 ( -10.390 0.000 13.146) 16.756 3.384 ( -5.070 0.000 -0.404) 5.086 3.609 ( 2.754 -0.000 2.982) 4.059 4.351 ( 1.184 -0.000 17.099) 17.140 4.599 ( -5.497 0.000 1.510) 5.700 4.606 ( 8.632 -0.000 3.056) 9.157 5.179 ( 1.535 -0.000 -0.580) 1.640 5.197 ( -23.390 0.000 -0.876) 23.407 5.741 ( -1.960 0.000 -8.859) 9.074 5.764 ( -8.342 0.000 6.670) 10.681 6.420 ( 2.579 -0.000 6.637) 7.120 6.732 ( 2.289 -0.000 2.286) 3.235 7.396 ( 1.046 -0.000 -9.936) 9.991 7.738 ( -20.202 0.000 -8.254) 21.823 8.606 ( 4.132 -0.000 -13.008) 13.648 8.844 ( -6.113 0.000 13.497) 14.817 9.181 ( 7.402 -0.000 4.665) 8.749 9.800 ( -7.033 0.000 13.850) 15.533 10.750 ( 21.987 -0.000 -27.272) 35.031 10.937 ( 17.660 -0.000 -7.754) 19.287 11.043 ( -2.191 0.000 3.178) 3.860 11.778 ( 3.988 -0.000 3.388) 5.233 12.441 ( -2.301 0.000 -5.108) 5.602 12.565 ( 6.093 -0.000 3.710) 7.134 12.928 ( 3.191 -0.000 -8.861) 9.418 13.190 ( -9.658 0.000 18.494) 20.864 17.445 ( -8.199 0.000 8.422) 11.753 18.388 ( -11.762 0.000 -9.364) 15.034 19.175 ( 7.268 -0.000 12.597) 14.544 19.386 ( -8.176 0.000 1.304) 8.280 20.027 ( 4.205 -0.000 -15.007) 15.585 22.695 ( -12.098 0.000 8.161) 14.593 23.746 ( 13.411 -0.000 11.553) 17.701 23.825 ( 8.221 -0.000 -2.717) 8.658 ======================= Grid point 646 (327/361) ======================= q-point: ( 0.30 0.20 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 14.618 -1.326 2.313) 14.859 2.741 ( 10.781 -4.792 -14.121) 18.401 3.178 ( -12.480 1.805 15.656) 20.103 3.318 ( -3.863 -2.825 -2.476) 5.388 3.624 ( -3.577 -0.091 1.036) 3.725 4.410 ( -5.944 11.798 8.863) 15.908 4.524 ( -19.941 -1.165 -0.775) 19.991 4.695 ( 6.556 -3.287 1.831) 7.559 5.044 ( -3.154 -4.923 7.196) 9.272 5.272 ( 8.854 -0.933 0.177) 8.905 5.632 ( 2.301 1.704 -7.236) 7.781 5.774 ( -4.622 -0.031 10.253) 11.246 6.505 ( -4.749 -0.359 9.873) 10.961 6.755 ( -3.293 -0.596 1.351) 3.609 7.188 ( -7.433 10.851 -13.673) 18.972 7.393 ( -14.215 -11.171 -9.869) 20.597 8.601 ( 8.356 -3.853 -5.669) 10.808 8.924 ( -5.960 1.556 14.292) 15.563 9.373 ( 9.419 -1.753 5.348) 10.972 9.828 ( -8.648 2.790 11.337) 14.530 10.679 ( 20.885 4.341 -29.656) 36.531 10.921 ( -2.273 7.339 -6.604) 10.132 11.116 ( 10.869 -2.724 -3.889) 11.861 11.885 ( 1.549 -1.250 5.671) 6.010 12.387 ( -1.078 -1.637 -0.364) 1.993 12.608 ( -2.423 0.884 1.163) 2.829 12.906 ( 4.558 -4.091 -6.930) 9.248 13.341 ( -1.770 -1.015 16.802) 16.925 17.493 ( -5.136 -0.891 14.940) 15.823 18.095 ( -9.252 -1.934 -15.349) 18.025 19.343 ( 5.596 10.436 4.520) 12.675 19.379 ( 4.723 0.548 2.826) 5.531 19.934 ( -0.535 -7.760 -9.330) 12.147 22.607 ( -15.123 -4.133 6.617) 17.016 23.774 ( 6.785 16.816 -1.598) 18.204 24.090 ( 4.183 -12.745 5.562) 14.521 ======================= Grid point 647 (328/361) ======================= q-point: ( 0.40 0.20 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( 8.586 4.560 6.295) 11.582 2.858 ( 7.726 -5.393 -1.821) 9.596 3.164 ( -8.071 0.938 9.439) 12.455 3.287 ( 1.426 -3.334 -2.277) 4.281 3.572 ( -6.488 -4.788 -0.409) 8.074 4.176 ( -22.799 -2.905 -3.487) 23.247 4.300 ( -4.445 11.790 2.884) 12.926 4.831 ( 3.059 -2.651 2.123) 4.571 5.176 ( -1.591 -6.476 6.783) 9.512 5.406 ( 13.095 2.621 -1.576) 13.447 5.636 ( 7.383 2.072 0.355) 7.676 5.881 ( 0.475 1.599 12.981) 13.088 6.518 ( -13.431 0.107 6.803) 15.056 6.643 ( -12.059 -1.850 0.728) 12.222 6.868 ( -5.020 2.437 -7.215) 9.121 7.265 ( -5.074 -11.841 -8.884) 15.648 8.739 ( 8.632 -6.734 -0.164) 10.950 8.985 ( -6.793 3.558 14.635) 16.523 9.565 ( 9.141 0.524 3.079) 9.660 9.777 ( -8.195 6.023 6.022) 11.819 10.565 ( 11.816 6.439 -19.068) 23.338 10.723 ( 0.709 3.338 -14.539) 14.934 11.202 ( 8.768 2.343 -4.974) 10.349 11.946 ( -3.394 -1.014 4.018) 5.356 12.428 ( 1.152 -1.270 4.126) 4.468 12.564 ( -4.902 1.164 3.237) 5.989 12.944 ( 5.012 -5.387 -5.793) 9.365 13.495 ( -1.078 0.281 10.219) 10.279 17.636 ( -1.283 0.900 8.683) 8.824 17.879 ( -3.082 -9.087 -5.653) 11.137 19.277 ( 2.240 18.263 -2.393) 18.555 19.523 ( 14.268 0.951 0.609) 14.313 19.927 ( -2.964 -12.685 -4.575) 13.807 22.521 ( -16.710 -7.979 7.071) 19.821 23.667 ( 4.429 16.133 -4.437) 17.308 24.217 ( -4.271 -8.381 -0.135) 9.407 ======================= Grid point 648 (329/361) ======================= q-point: (-0.50 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.696 ( -2.692 10.849 9.576) 14.719 2.817 ( -7.231 6.817 7.743) 12.598 3.211 ( -4.854 -9.527 -0.816) 10.724 3.392 ( 9.239 -4.121 -0.803) 10.148 3.510 ( -7.270 -10.113 -5.112) 13.463 3.956 ( -5.079 -3.718 -3.446) 7.176 4.161 ( -4.910 10.398 1.914) 11.657 4.848 ( -3.768 -4.623 -3.616) 6.975 5.273 ( 1.014 -1.045 6.694) 6.851 5.560 ( 15.724 0.927 -3.009) 16.036 5.787 ( 7.430 2.346 8.749) 11.716 6.031 ( 2.839 5.008 11.370) 12.744 6.265 ( -16.107 -0.707 -1.202) 16.168 6.670 ( -6.755 -9.664 8.599) 14.593 6.756 ( -4.381 -0.155 -2.168) 4.891 7.235 ( -3.962 -13.336 -4.738) 14.697 8.923 ( 5.634 -7.920 2.849) 10.129 9.028 ( -6.571 4.608 14.510) 16.582 9.594 ( -3.751 7.930 -4.215) 9.732 9.715 ( 3.958 5.626 3.399) 7.673 10.452 ( -6.196 4.617 2.361) 8.080 10.577 ( 14.541 -0.448 -24.902) 28.840 11.197 ( 5.580 5.616 -6.939) 10.527 11.887 ( -9.277 1.063 0.626) 9.359 12.518 ( 3.173 0.844 5.001) 5.983 12.556 ( -2.954 -0.271 5.762) 6.481 12.987 ( 4.476 -3.662 -4.861) 7.554 13.530 ( -3.761 2.950 3.757) 6.079 17.580 ( 3.485 -0.074 -9.242) 9.878 18.109 ( 2.121 -13.779 16.841) 21.863 19.080 ( -0.915 15.305 -5.500) 16.289 19.726 ( 10.537 0.126 -0.463) 10.548 19.961 ( 6.951 -6.504 -3.794) 10.248 22.446 ( -19.112 -11.035 6.998) 23.152 23.522 ( 3.528 13.963 -6.109) 15.644 24.123 ( -10.449 -3.468 -6.294) 12.682 ======================= Grid point 649 (330/361) ======================= q-point: (-0.40 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -10.790 13.087 9.135) 19.265 2.891 ( -3.739 -0.232 13.790) 14.289 3.098 ( -12.083 -1.928 -4.465) 13.025 3.405 ( -2.986 -6.040 -7.594) 10.152 3.556 ( 3.077 -12.221 -3.667) 13.126 3.934 ( 10.949 6.987 -12.027) 17.701 4.094 ( -3.191 0.142 7.694) 8.330 4.753 ( -7.862 -5.699 -5.295) 11.060 5.406 ( 6.529 1.514 7.555) 10.099 5.757 ( 14.619 -2.838 -1.085) 14.931 5.962 ( 3.420 2.615 10.981) 11.795 6.092 ( -3.444 1.250 5.939) 6.978 6.186 ( 2.638 3.869 3.899) 6.094 6.623 ( -8.535 -0.996 -2.420) 8.927 6.824 ( -3.146 -13.075 7.626) 15.460 7.263 ( -6.211 -15.956 -1.033) 17.153 9.062 ( -1.602 7.739 11.189) 13.699 9.096 ( 0.620 -8.772 4.212) 9.750 9.387 ( -6.602 8.224 -2.675) 10.880 9.739 ( 4.310 7.689 -0.645) 8.839 10.374 ( -14.196 0.477 11.929) 18.549 10.538 ( 19.989 -0.066 -22.696) 30.243 11.093 ( 2.067 7.347 -9.047) 11.837 11.689 ( -14.175 3.109 -3.202) 14.861 12.601 ( -0.771 0.475 7.511) 7.566 12.631 ( 6.714 3.446 3.637) 8.378 13.016 ( 2.438 -2.555 -2.977) 4.619 13.442 ( -5.206 3.961 -2.130) 6.880 17.600 ( 8.735 -1.458 -2.794) 9.286 18.431 ( 0.132 -11.991 9.816) 15.497 18.905 ( 2.057 7.693 -4.005) 8.913 19.693 ( -8.848 -4.365 -5.355) 11.226 20.248 ( 29.028 3.289 3.496) 29.423 22.320 ( -23.833 -11.556 3.198) 26.679 23.393 ( 4.560 10.321 -6.119) 12.835 23.877 ( -12.635 0.752 -8.450) 15.219 ======================= Grid point 650 (331/361) ======================= q-point: (-0.30 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( -4.268 6.934 10.479) 13.271 2.875 ( -10.139 0.551 -4.087) 10.945 3.023 ( -3.359 -5.722 10.576) 12.485 3.312 ( -3.156 -5.798 -8.552) 10.804 3.617 ( -0.119 -4.406 -2.761) 5.201 3.875 ( 9.399 4.707 -11.197) 15.358 4.192 ( 3.858 -1.571 4.984) 6.495 4.615 ( -8.462 -3.231 -5.544) 10.620 5.598 ( 6.918 0.203 9.324) 11.612 5.947 ( 9.111 -1.218 -1.357) 9.292 6.086 ( -0.021 3.062 7.202) 7.826 6.144 ( 0.963 -1.830 8.354) 8.606 6.245 ( 8.394 6.768 -0.150) 10.784 6.472 ( -9.392 -0.053 -1.871) 9.577 7.014 ( 0.084 -16.834 6.063) 17.893 7.311 ( -9.080 -19.920 0.292) 21.894 9.072 ( 0.788 8.773 3.897) 9.632 9.182 ( -0.486 -1.717 0.291) 1.808 9.279 ( -7.622 1.893 9.882) 12.623 9.677 ( 3.099 9.118 -5.523) 11.102 10.338 ( -14.349 -1.280 15.008) 20.803 10.584 ( 18.286 -0.197 -14.556) 23.373 10.948 ( 3.598 7.920 -8.421) 12.108 11.383 ( -15.985 3.615 -7.035) 17.835 12.675 ( -2.081 1.146 8.513) 8.838 12.724 ( 10.201 9.333 0.633) 13.841 13.027 ( -2.843 -0.887 2.401) 3.826 13.304 ( -1.439 -0.707 -8.659) 8.806 17.759 ( 10.596 -0.412 4.397) 11.480 18.430 ( -7.195 0.153 -6.875) 9.953 19.013 ( 10.457 -7.192 3.750) 13.234 19.511 ( -11.743 -3.824 -5.464) 13.505 20.722 ( 31.685 4.489 10.092) 33.555 22.033 ( -28.433 -8.173 -5.692) 30.127 23.338 ( 6.332 5.681 -3.683) 9.270 23.603 ( -11.269 2.922 -5.753) 12.985 ======================= Grid point 651 (332/361) ======================= q-point: (-0.20 0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.538 ( 3.240 2.775 9.886) 10.767 2.709 ( -3.010 1.411 -7.020) 7.767 3.162 ( -2.210 -8.706 6.426) 11.044 3.258 ( -0.539 -8.196 -4.673) 9.450 3.610 ( -1.501 1.314 4.273) 4.716 3.807 ( 3.672 1.237 -12.538) 13.123 4.338 ( 4.451 -0.788 5.750) 7.313 4.451 ( -5.249 0.711 -5.836) 7.882 5.784 ( 2.815 0.151 9.477) 9.888 5.947 ( -1.319 0.524 -6.703) 6.851 6.094 ( -6.614 6.163 9.650) 13.223 6.235 ( 2.024 3.869 -4.410) 6.206 6.318 ( 7.620 0.031 2.491) 8.016 6.359 ( -2.189 0.433 -2.129) 3.084 7.285 ( 4.318 -19.614 7.808) 21.548 7.374 ( -8.485 -23.181 -1.172) 24.713 9.062 ( 1.137 6.244 3.522) 7.258 9.125 ( -3.133 4.634 -3.110) 6.400 9.304 ( -7.704 4.687 15.341) 17.795 9.566 ( 4.746 5.319 -9.992) 12.274 10.366 ( -10.167 -2.279 15.569) 18.734 10.642 ( 8.922 0.576 -12.061) 15.013 10.925 ( 12.258 7.492 1.429) 14.437 11.064 ( -9.331 0.808 -10.889) 14.363 12.674 ( -6.129 7.783 5.273) 11.223 12.753 ( 8.832 10.792 -2.815) 14.227 13.029 ( -7.107 -2.507 9.350) 12.009 13.244 ( 5.570 -5.406 -11.758) 14.089 17.975 ( 9.420 1.500 8.608) 12.848 18.184 ( -8.865 2.488 -11.630) 14.833 19.252 ( -4.004 -8.285 5.694) 10.821 19.368 ( 3.912 -4.955 -5.931) 8.662 21.253 ( 23.100 2.686 16.440) 28.480 21.571 ( -22.831 -3.230 -15.299) 27.672 23.370 ( 2.933 3.099 -0.100) 4.268 23.398 ( -3.619 2.583 -2.870) 5.292 ======================= Grid point 652 (333/361) ======================= q-point: (-0.10 0.20 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.582 ( 1.548 3.201 -9.661) 10.295 2.723 ( 9.372 1.020 8.055) 12.400 3.250 ( -3.844 -8.645 5.037) 10.718 3.312 ( 1.847 -6.372 -2.969) 7.269 3.659 ( -0.224 3.508 -10.907) 11.460 3.700 ( -0.531 -4.161 10.308) 11.129 4.259 ( -6.866 1.743 -1.944) 7.346 4.527 ( 9.074 2.148 3.748) 10.050 5.776 ( -9.478 -0.061 -8.346) 12.629 5.865 ( -4.563 1.619 6.078) 7.771 6.025 ( -9.915 5.695 7.696) 13.783 6.141 ( -3.162 2.541 -3.051) 5.076 6.305 ( 1.789 0.417 -7.098) 7.332 6.434 ( 8.008 1.757 0.756) 8.233 7.441 ( -5.511 -21.232 -4.697) 22.433 7.644 ( 5.913 -19.809 8.934) 22.521 8.937 ( -7.964 8.231 -0.549) 11.467 9.079 ( 0.701 9.129 3.627) 9.848 9.363 ( -3.931 -0.511 12.148) 12.778 9.463 ( 4.289 6.782 -10.957) 13.582 10.450 ( -5.031 -5.911 7.128) 10.539 10.572 ( 1.693 4.336 0.646) 4.700 10.899 ( 7.471 -3.018 -17.181) 18.976 11.164 ( 16.875 3.605 9.145) 19.529 12.523 ( -7.974 9.761 1.577) 12.702 12.720 ( 5.705 8.795 -4.686) 11.483 13.094 ( -7.833 -5.039 11.219) 14.582 13.228 ( 5.921 -1.372 -10.584) 12.205 17.892 ( -10.491 1.501 -9.783) 14.423 18.202 ( 8.743 1.961 10.384) 13.715 19.155 ( -15.042 -5.211 1.902) 16.032 19.556 ( 11.563 -4.106 -0.889) 12.302 20.968 ( -28.140 -2.345 -16.479) 32.694 21.861 ( 28.188 1.929 16.266) 32.602 23.253 ( -5.855 1.678 -0.445) 6.107 23.486 ( 10.011 1.996 0.990) 10.256 ======================= Grid point 656 (334/361) ======================= q-point: ( 0.30 0.30 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 12.819 -0.000 10.696) 16.696 2.733 ( 12.088 -0.000 -8.685) 14.884 3.224 ( -0.969 0.000 -5.483) 5.567 3.236 ( -8.280 0.000 15.663) 17.717 3.532 ( -9.520 0.000 -0.116) 9.521 4.125 ( -26.690 0.000 -1.162) 26.715 4.453 ( -5.339 0.000 0.012) 5.339 4.778 ( 4.080 -0.000 0.960) 4.192 5.124 ( 0.345 -0.000 9.281) 9.287 5.426 ( 12.689 -0.000 -0.960) 12.725 5.657 ( 9.317 -0.000 -2.364) 9.612 5.893 ( -2.109 0.000 16.768) 16.900 6.522 ( -10.177 0.000 11.476) 15.339 6.627 ( -18.890 0.000 -0.542) 18.898 6.913 ( -12.266 0.000 -7.427) 14.339 7.131 ( 2.696 -0.000 -13.906) 14.165 8.665 ( 8.734 -0.000 -1.152) 8.810 9.031 ( -6.945 0.000 15.998) 17.440 9.569 ( 11.110 -0.000 3.515) 11.653 9.828 ( -11.036 0.000 9.331) 14.453 10.617 ( 23.315 -0.000 -33.992) 41.219 10.770 ( -7.912 0.000 -8.712) 11.769 11.225 ( 11.205 -0.000 -4.482) 12.068 11.934 ( -3.921 0.000 5.085) 6.421 12.414 ( 1.511 -0.000 5.008) 5.231 12.576 ( -5.562 0.000 3.179) 6.407 12.888 ( 6.298 -0.000 -5.490) 8.355 13.498 ( -1.745 0.000 12.632) 12.752 17.653 ( -1.769 0.000 20.448) 20.525 17.788 ( -4.587 0.000 -17.075) 17.681 19.529 ( 16.655 -0.000 0.107) 16.655 19.540 ( 2.681 -0.000 3.384) 4.317 19.719 ( -5.016 0.000 -10.640) 11.763 22.451 ( -16.713 0.000 7.443) 18.296 23.863 ( 2.501 -0.000 -6.856) 7.298 24.090 ( -3.483 0.000 3.382) 4.855 ======================= Grid point 657 (335/361) ======================= q-point: ( 0.40 0.30 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 5.382 5.534 5.524) 9.492 2.930 ( 1.139 -3.820 5.770) 7.013 3.098 ( -6.175 4.276 -3.765) 8.401 3.308 ( -5.208 -7.116 2.730) 9.231 3.412 ( -6.280 -0.754 0.975) 6.400 3.863 ( -9.317 -4.013 0.551) 10.159 4.352 ( -2.864 7.694 -0.711) 8.241 4.762 ( -4.762 -4.114 -5.426) 8.309 5.259 ( 3.900 -0.269 8.110) 9.003 5.576 ( 11.473 0.511 -1.696) 11.609 5.814 ( 9.892 0.690 5.284) 11.237 6.086 ( 0.966 1.280 16.658) 16.735 6.290 ( -20.799 2.597 0.638) 20.970 6.533 ( -10.641 -5.268 10.347) 15.749 6.759 ( -5.193 0.417 -2.423) 5.745 7.053 ( 2.271 -6.128 -10.437) 12.314 8.798 ( 6.563 -4.030 2.249) 8.023 9.107 ( -8.389 2.521 16.936) 19.067 9.707 ( 1.556 4.738 -1.220) 5.134 9.760 ( -3.006 -0.367 3.738) 4.811 10.530 ( 7.207 3.301 -16.234) 18.066 10.568 ( 6.547 -0.732 -18.961) 20.073 11.289 ( 9.084 3.521 -6.589) 11.761 11.887 ( -9.065 -0.515 1.649) 9.228 12.524 ( 4.155 -0.004 6.310) 7.555 12.553 ( -4.721 -0.096 5.453) 7.213 12.931 ( 6.189 -1.945 -4.449) 7.866 13.568 ( -5.627 1.093 7.994) 9.836 17.586 ( 2.228 0.441 -11.581) 11.801 17.933 ( 1.279 -5.521 21.196) 21.941 19.367 ( -5.880 16.130 -6.411) 18.326 19.642 ( -4.418 -10.609 -3.114) 11.907 19.866 ( 27.442 -2.414 -2.632) 27.673 22.318 ( -18.593 -3.558 7.996) 20.550 23.741 ( 0.073 9.337 -7.248) 11.820 24.032 ( -9.185 -5.629 -3.752) 11.407 ======================= Grid point 658 (336/361) ======================= q-point: ( 0.50 0.30 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.757 ( -14.622 10.251 6.103) 18.871 2.901 ( -2.964 2.437 6.393) 7.456 3.056 ( -8.917 -3.013 -0.504) 9.426 3.247 ( -2.056 -10.369 -4.368) 11.438 3.425 ( 0.451 -3.377 0.018) 3.407 3.926 ( 9.644 -3.742 -2.531) 10.650 4.231 ( -1.484 10.658 -0.263) 10.764 4.636 ( -9.556 -6.821 -5.239) 12.857 5.419 ( 6.176 0.053 6.725) 9.131 5.707 ( 9.771 -2.432 -1.406) 10.167 6.007 ( 6.437 2.025 9.040) 11.281 6.106 ( -8.082 0.990 5.321) 9.727 6.264 ( 2.743 3.881 11.858) 12.775 6.556 ( -9.603 -6.854 5.117) 12.860 6.676 ( -6.300 -2.788 2.286) 7.259 7.036 ( -0.082 -9.280 -7.162) 11.723 8.959 ( 4.238 -5.679 4.420) 8.351 9.168 ( -7.770 3.932 17.208) 19.286 9.529 ( -7.493 7.099 -4.846) 11.403 9.815 ( 5.130 1.176 -2.858) 5.989 10.391 ( -11.961 1.208 5.650) 13.283 10.532 ( 23.263 -0.436 -26.382) 35.176 11.244 ( 5.082 8.330 -8.300) 12.810 11.728 ( -13.052 1.188 -2.272) 13.301 12.582 ( -3.286 -1.541 7.398) 8.240 12.681 ( 9.731 1.377 5.220) 11.129 12.965 ( 4.265 -2.144 -5.425) 7.226 13.511 ( -9.832 3.176 3.896) 11.043 17.579 ( 8.525 -0.874 -2.600) 8.956 18.254 ( 2.438 -7.318 16.662) 18.360 19.071 ( -6.800 10.245 -6.890) 14.095 19.579 ( -7.801 -8.004 -6.642) 13.001 20.289 ( 34.463 1.410 0.464) 34.495 22.165 ( -22.766 -5.803 6.176) 24.292 23.569 ( 0.013 9.068 -6.764) 11.313 23.855 ( -10.935 -2.909 -7.676) 13.673 ======================= Grid point 659 (337/361) ======================= q-point: (-0.40 0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -8.478 6.959 7.965) 13.556 2.873 ( -10.057 -0.897 -3.821) 10.796 2.941 ( -3.866 -3.315 6.672) 8.394 3.223 ( -4.537 -3.667 -5.753) 8.193 3.530 ( 5.122 -4.751 3.122) 7.652 3.979 ( 10.106 5.072 -14.415) 18.321 4.184 ( -0.559 1.683 7.255) 7.468 4.519 ( -7.736 -7.026 -4.668) 11.445 5.589 ( 5.679 -1.210 7.265) 9.300 5.864 ( 9.075 -6.404 -2.514) 11.388 6.129 ( -0.337 -0.022 7.855) 7.862 6.162 ( 3.266 4.351 9.450) 10.905 6.363 ( 3.512 5.969 4.476) 8.246 6.465 ( -9.950 -0.863 -0.110) 9.988 6.740 ( -4.222 -13.148 6.878) 15.427 7.031 ( -2.806 -11.525 -5.799) 13.203 9.098 ( 1.143 -4.847 3.723) 6.218 9.218 ( -3.132 6.671 8.770) 11.455 9.341 ( -8.295 4.090 4.838) 10.437 9.798 ( 4.170 3.806 -7.482) 9.373 10.318 ( -13.856 -0.839 12.057) 18.387 10.571 ( 21.862 -1.031 -21.085) 30.390 11.123 ( 4.982 10.819 -6.954) 13.792 11.460 ( -14.978 4.515 -5.164) 16.474 12.656 ( -2.839 -2.447 8.808) 9.573 12.875 ( 13.847 6.639 3.306) 15.708 12.964 ( 2.044 -4.660 -5.572) 7.546 13.346 ( -11.780 4.102 -0.244) 12.476 17.752 ( 11.440 -0.409 6.010) 12.929 18.423 ( -3.177 -1.100 0.310) 3.376 18.927 ( 0.225 -2.153 1.802) 2.817 19.427 ( -8.515 -5.348 -8.698) 13.295 20.790 ( 35.855 3.111 4.812) 36.310 21.907 ( -28.293 -5.759 0.215) 28.874 23.446 ( 2.475 6.114 -4.728) 8.116 23.632 ( -9.739 0.427 -6.382) 11.652 ======================= Grid point 660 (338/361) ======================= q-point: (-0.30 0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 1.232 3.497 8.524) 9.296 2.734 ( -1.905 1.308 -4.929) 5.444 3.033 ( -0.532 -5.776 5.598) 8.061 3.126 ( -3.424 -6.137 -4.914) 8.575 3.635 ( -1.268 1.738 7.116) 7.434 3.851 ( 3.059 3.288 -13.460) 14.189 4.298 ( 0.813 -3.324 6.765) 7.581 4.431 ( -0.255 -2.526 -6.620) 7.090 5.759 ( 1.861 -3.063 8.266) 9.010 5.916 ( -0.648 -3.966 -7.616) 8.611 6.219 ( -2.460 6.866 7.868) 10.729 6.277 ( 5.719 0.025 3.483) 6.696 6.320 ( -6.128 1.403 2.298) 6.694 6.399 ( 3.682 3.420 -2.336) 5.541 6.929 ( -2.481 -18.779 7.219) 20.271 7.042 ( -0.328 -14.235 -4.672) 14.985 9.138 ( -2.845 1.169 2.199) 3.781 9.167 ( -0.152 2.531 -1.201) 2.806 9.374 ( -7.701 3.538 18.397) 20.255 9.686 ( 3.950 6.463 -11.819) 14.038 10.307 ( -13.771 -3.620 14.646) 20.427 10.634 ( 17.707 -1.446 -17.547) 24.970 11.083 ( 8.714 9.986 -0.875) 13.282 11.145 ( -9.502 7.427 -6.255) 13.586 12.742 ( -3.567 -0.574 9.365) 10.038 12.897 ( 2.829 2.870 -5.890) 7.137 13.043 ( -2.182 5.502 6.151) 8.537 13.172 ( 2.414 -1.288 -7.127) 7.635 18.004 ( 10.126 1.607 10.539) 14.703 18.231 ( -8.998 2.748 -11.254) 14.669 19.096 ( -0.355 -8.809 8.369) 12.156 19.279 ( 0.920 -4.901 -9.638) 10.851 21.303 ( 19.389 2.782 10.977) 22.453 21.510 ( -17.462 -3.543 -9.770) 20.320 23.427 ( 4.929 3.142 -0.989) 5.928 23.444 ( -7.078 2.512 -2.737) 7.994 ======================= Grid point 661 (339/361) ======================= q-point: (-0.20 -0.70 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( 4.676 4.872 -8.186) 10.612 2.746 ( 8.592 1.479 7.751) 11.666 3.096 ( -3.228 -8.227 3.560) 9.528 3.198 ( 4.164 -5.894 1.305) 7.333 3.656 ( -5.493 -1.134 4.715) 7.327 3.716 ( 0.245 2.847 -6.042) 6.683 4.276 ( -4.737 0.319 -3.094) 5.667 4.523 ( 8.851 -2.297 3.330) 9.731 5.764 ( -9.307 -1.463 -7.554) 12.076 5.859 ( -5.461 -2.664 5.512) 8.204 6.142 ( -6.692 5.684 2.905) 9.248 6.208 ( -6.669 6.002 1.617) 9.117 6.323 ( 2.766 1.629 -7.626) 8.274 6.467 ( 10.058 1.812 -0.374) 10.227 7.065 ( -5.261 -19.913 0.355) 20.600 7.283 ( 9.066 -19.947 3.628) 22.208 9.065 ( -6.248 6.235 1.162) 8.903 9.165 ( 0.527 0.329 2.482) 2.558 9.408 ( -7.919 5.605 10.695) 14.440 9.579 ( 6.246 5.656 -7.353) 11.184 10.326 ( -13.313 -7.221 10.469) 18.411 10.649 ( 10.709 2.586 -10.463) 15.194 10.900 ( -0.750 4.679 -6.677) 8.188 11.256 ( 18.145 6.641 4.747) 19.896 12.699 ( -8.584 9.407 3.036) 13.092 12.832 ( 1.583 2.147 -6.570) 7.090 12.992 ( -7.862 -5.880 6.727) 11.901 13.243 ( 11.401 4.195 -3.847) 12.743 17.921 ( -11.449 1.616 -11.163) 16.072 18.244 ( 8.416 2.683 10.534) 13.748 19.065 ( -11.490 -4.457 -0.110) 12.324 19.452 ( 14.526 -7.530 -0.162) 16.362 20.928 ( -32.909 -2.039 -10.019) 34.461 21.887 ( 31.796 0.881 8.246) 32.859 23.302 ( -6.351 3.909 -0.081) 7.458 23.518 ( 8.623 1.475 2.667) 9.146 ======================= Grid point 662 (340/361) ======================= q-point: (-0.10 0.30 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( 6.485 8.218 -11.241) 15.360 2.958 ( 7.477 0.760 8.887) 11.638 3.152 ( -1.798 -5.647 -5.398) 8.016 3.311 ( 1.920 -3.222 6.505) 7.509 3.625 ( 0.417 1.504 0.565) 1.660 3.717 ( -3.098 -5.417 5.070) 8.040 4.206 ( 1.632 -0.029 -2.109) 2.667 4.698 ( 6.297 -0.381 5.342) 8.267 5.516 ( -14.217 0.775 -6.246) 15.547 5.782 ( -13.355 -1.162 1.464) 13.485 6.013 ( -9.409 7.069 2.279) 11.987 6.076 ( -5.568 2.950 -2.109) 6.645 6.255 ( 5.496 0.824 -8.677) 10.304 6.580 ( 8.634 2.410 0.778) 8.998 7.181 ( -1.361 -18.053 -2.124) 18.229 7.614 ( 6.224 -20.334 1.732) 21.336 8.911 ( -7.977 9.383 2.319) 12.533 9.178 ( -1.625 4.564 3.284) 5.852 9.383 ( 0.115 2.014 -2.634) 3.317 9.509 ( -2.308 7.395 2.678) 8.197 10.334 ( -6.872 -10.270 4.913) 13.298 10.708 ( 10.452 -0.187 -2.385) 10.723 10.859 ( 9.354 1.773 -7.438) 12.081 11.536 ( 17.802 3.993 5.820) 19.150 12.519 ( -6.137 8.879 0.718) 10.817 12.743 ( 0.650 3.010 -6.995) 7.643 13.033 ( -7.036 -6.089 5.656) 10.889 13.278 ( 6.223 8.109 -1.597) 10.345 17.652 ( -10.952 -0.262 -5.929) 12.456 18.459 ( 7.557 1.227 10.564) 13.047 18.930 ( -10.791 -3.627 -2.854) 11.736 19.665 ( 5.816 -1.276 2.359) 6.405 20.404 ( -22.395 -3.231 -13.984) 26.600 22.403 ( 25.067 -1.427 11.086) 27.446 23.190 ( -5.135 2.730 -0.327) 5.825 23.690 ( 11.019 2.616 5.669) 12.665 ======================= Grid point 667 (341/361) ======================= q-point: ( 0.40 0.40 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.848 ( -16.389 0.000 7.864) 18.178 2.969 ( -6.485 0.000 -4.897) 8.126 3.016 ( -1.434 0.000 1.353) 1.972 3.118 ( -1.308 0.000 2.111) 2.483 3.400 ( -2.911 0.000 1.416) 3.237 3.885 ( 9.973 -0.000 0.023) 9.973 4.354 ( 0.051 -0.000 -1.483) 1.484 4.553 ( -11.668 0.000 -5.719) 12.994 5.418 ( 6.198 -0.000 6.051) 8.662 5.684 ( 6.765 -0.000 -1.078) 6.850 6.025 ( 8.862 -0.000 7.383) 11.534 6.121 ( -9.014 0.000 5.201) 10.407 6.302 ( 0.704 -0.000 15.089) 15.105 6.477 ( -10.938 0.000 9.248) 14.324 6.661 ( -7.157 0.000 -0.036) 7.157 6.952 ( 3.823 -0.000 -10.125) 10.823 8.908 ( 5.499 -0.000 4.515) 7.115 9.202 ( -9.639 0.000 18.923) 21.237 9.601 ( -10.707 0.000 -2.837) 11.076 9.815 ( 8.357 -0.000 -6.356) 10.499 10.404 ( -11.511 0.000 3.064) 11.912 10.527 ( 23.992 -0.000 -27.182) 36.256 11.328 ( 6.377 -0.000 -8.265) 10.439 11.736 ( -12.032 0.000 -1.747) 12.158 12.566 ( -3.919 0.000 7.139) 8.144 12.688 ( 9.530 -0.000 5.204) 10.858 12.949 ( 5.076 -0.000 -4.968) 7.102 13.540 ( -10.900 0.000 5.716) 12.308 17.571 ( 8.421 -0.000 -2.589) 8.810 18.188 ( 2.875 -0.000 18.928) 19.145 19.196 ( -14.250 0.000 -7.942) 16.313 19.475 ( -2.741 0.000 -7.007) 7.525 20.301 ( 36.318 -0.000 -0.380) 36.320 22.115 ( -22.308 0.000 6.905) 23.352 23.672 ( -2.121 0.000 -7.886) 8.167 23.808 ( -9.928 0.000 -6.266) 11.740 ======================= Grid point 668 (342/361) ======================= q-point: ( 0.50 0.40 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.686 ( -12.147 3.226 6.042) 13.945 2.855 ( -9.286 -0.494 -1.964) 9.504 2.901 ( -3.063 -1.470 1.440) 3.690 3.188 ( -5.022 -0.693 -1.975) 5.440 3.466 ( 9.350 -2.108 5.332) 10.968 4.018 ( 12.686 0.200 -8.463) 15.251 4.265 ( -8.999 6.325 1.634) 11.120 4.392 ( -5.143 -6.818 -3.507) 9.232 5.566 ( 4.205 -0.957 5.975) 7.369 5.770 ( 6.457 -3.214 -1.861) 7.449 6.136 ( -0.461 0.607 7.429) 7.468 6.216 ( 6.514 1.465 7.109) 9.752 6.433 ( -8.004 -0.860 4.993) 9.472 6.439 ( -2.703 0.952 7.467) 7.999 6.592 ( -6.807 -3.337 5.665) 9.464 6.901 ( 3.346 -3.583 -9.971) 11.111 9.037 ( 3.229 -1.838 4.810) 6.078 9.296 ( -7.662 2.075 17.107) 18.859 9.403 ( -9.343 2.308 -2.117) 9.854 9.827 ( 7.292 0.318 -9.750) 12.179 10.309 ( -13.832 -0.219 9.905) 17.014 10.557 ( 22.829 -0.450 -23.108) 32.486 11.278 ( 4.674 5.310 -7.124) 10.040 11.521 ( -12.676 1.901 -3.963) 13.417 12.615 ( -3.374 -1.528 8.366) 9.149 12.867 ( 7.373 -2.714 -2.924) 8.383 12.984 ( 10.966 2.682 -0.388) 11.296 13.405 ( -15.015 1.948 3.415) 15.521 17.746 ( 11.999 -0.181 6.895) 13.840 18.400 ( 0.717 -0.990 6.539) 6.652 18.924 ( -10.800 0.789 -1.429) 10.922 19.345 ( -3.437 -3.061 -10.394) 11.368 20.827 ( 38.614 1.045 1.662) 38.664 21.838 ( -28.170 -1.963 2.854) 28.382 23.538 ( -1.604 3.710 -5.336) 6.694 23.622 ( -7.340 -1.307 -6.051) 9.602 ======================= Grid point 669 (343/361) ======================= q-point: (-0.40 0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.651 ( -0.270 2.483 6.615) 7.071 2.751 ( -0.667 0.562 -2.959) 3.085 2.959 ( 2.386 -2.647 4.913) 6.069 3.052 ( -6.900 -2.424 -4.659) 8.672 3.668 ( 3.051 1.721 9.481) 10.108 3.905 ( -3.646 2.428 -13.790) 14.469 4.239 ( -2.504 -2.864 7.132) 8.083 4.381 ( 5.869 -2.530 -6.821) 9.347 5.691 ( -0.437 -3.824 6.955) 7.949 5.827 ( 1.267 -5.074 -6.299) 8.187 6.260 ( 5.367 -0.204 6.434) 8.381 6.301 ( -4.060 1.283 2.307) 4.843 6.376 ( -0.349 4.179 4.731) 6.322 6.431 ( -4.046 -0.527 0.671) 4.135 6.688 ( -1.526 -7.717 8.786) 11.793 6.866 ( 3.399 -5.954 -9.719) 11.893 9.132 ( 0.709 -0.711 4.330) 4.445 9.214 ( -4.401 2.065 -3.593) 6.046 9.426 ( -9.057 2.178 20.925) 22.905 9.767 ( 5.411 2.726 -13.061) 14.398 10.254 ( -16.100 -2.199 13.559) 21.164 10.607 ( 20.651 -1.210 -20.531) 29.146 11.248 ( 4.684 7.779 -1.812) 9.259 11.277 ( -5.706 6.287 -3.993) 9.383 12.695 ( -3.512 -3.205 9.499) 10.623 12.867 ( 1.401 -3.688 -7.665) 8.620 13.163 ( 0.101 5.908 3.158) 6.700 13.201 ( 0.308 2.892 -0.628) 2.976 18.028 ( 11.262 1.015 12.039) 16.517 18.274 ( -9.810 1.931 -11.417) 15.176 18.963 ( -0.109 -5.665 11.161) 12.516 19.206 ( 0.887 -3.139 -12.424) 12.845 21.349 ( 17.756 2.511 5.162) 18.660 21.451 ( -13.995 -3.121 -5.000) 15.185 23.471 ( 1.303 1.713 -1.328) 2.529 23.483 ( -4.722 1.794 -2.363) 5.577 ======================= Grid point 670 (344/361) ======================= q-point: (-0.30 -0.60 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( 8.374 4.288 -6.459) 11.411 2.773 ( 7.977 1.497 6.533) 10.419 2.974 ( -3.116 -5.450 1.446) 6.442 3.120 ( 5.781 -2.813 4.916) 8.093 3.639 ( -11.074 -1.383 -4.088) 11.885 3.764 ( -2.479 2.828 4.072) 5.543 4.278 ( -0.013 0.138 -1.656) 1.662 4.468 ( 9.808 -3.335 -0.782) 10.389 5.722 ( -8.097 -3.118 -4.653) 9.845 5.780 ( -5.592 -5.575 3.058) 8.468 6.201 ( -5.521 2.163 -0.487) 5.950 6.312 ( -4.973 2.042 -2.127) 5.781 6.379 ( 0.529 6.302 0.951) 6.395 6.481 ( 10.302 -1.074 -0.152) 10.359 6.795 ( -3.455 -9.313 1.787) 10.093 6.974 ( 9.679 -14.475 -0.759) 17.429 9.136 ( -3.729 -1.159 0.316) 3.918 9.164 ( -1.800 3.686 4.050) 5.764 9.504 ( -9.114 4.146 14.929) 17.976 9.655 ( 6.583 3.138 -11.103) 13.284 10.215 ( -18.277 -5.042 13.913) 23.517 10.652 ( 18.154 -1.128 -18.837) 26.185 11.052 ( -5.875 10.467 0.292) 12.007 11.377 ( 16.176 6.378 2.291) 17.539 12.787 ( -4.245 -2.914 7.945) 9.468 12.816 ( -1.257 -1.162 -4.459) 4.776 12.933 ( -12.966 1.395 -1.650) 13.145 13.357 ( 15.025 7.143 -0.843) 16.658 17.945 ( -12.698 1.030 -12.601) 17.919 18.290 ( 7.898 2.417 10.944) 13.711 19.015 ( -5.103 -0.879 -1.785) 5.477 19.302 ( 13.885 -9.073 0.913) 16.612 20.899 ( -35.657 -1.187 -6.002) 36.178 21.891 ( 33.605 -0.268 1.634) 33.646 23.382 ( -4.465 4.855 1.471) 6.758 23.533 ( 6.175 0.078 3.423) 7.061 ======================= Grid point 671 (345/361) ======================= q-point: (-0.20 -0.60 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( 10.023 8.714 -9.106) 16.103 2.955 ( 2.319 -1.200 9.424) 9.779 3.070 ( 5.786 -3.203 -1.262) 6.733 3.254 ( 3.231 -3.120 5.043) 6.753 3.525 ( -4.718 -7.419 -0.161) 8.793 3.751 ( -3.566 3.663 5.781) 7.717 4.230 ( 3.741 2.925 -6.249) 7.848 4.647 ( 6.197 -4.541 4.966) 9.148 5.528 ( -11.387 0.347 -5.364) 12.592 5.731 ( -12.879 -4.222 1.719) 13.662 6.096 ( -6.117 2.413 -2.178) 6.926 6.174 ( -5.285 6.008 -1.732) 8.187 6.294 ( 2.535 4.393 -7.264) 8.860 6.618 ( 10.587 1.437 -1.320) 10.765 6.884 ( -1.247 -14.328 1.196) 14.432 7.264 ( 9.471 -18.589 -0.336) 20.866 9.072 ( -7.999 5.791 3.791) 10.578 9.162 ( -0.859 -1.674 1.730) 2.556 9.443 ( -0.690 5.761 -0.924) 5.875 9.649 ( -0.663 5.129 2.418) 5.709 10.174 ( -16.881 -7.470 12.904) 22.523 10.692 ( 16.967 -1.391 -16.239) 23.527 10.952 ( 0.400 8.498 3.318) 9.132 11.612 ( 17.588 4.295 4.027) 18.548 12.666 ( -8.798 7.189 -0.497) 11.372 12.749 ( -0.883 -1.580 -6.230) 6.488 12.916 ( -5.428 -6.671 6.852) 10.997 13.445 ( 10.927 9.694 -2.205) 14.772 17.645 ( -11.740 -0.431 -7.427) 13.899 18.469 ( 5.515 -0.269 6.129) 8.249 18.914 ( -3.745 2.323 -3.834) 5.841 19.596 ( 11.789 -6.623 3.556) 13.982 20.355 ( -31.058 -2.072 -7.670) 32.058 22.349 ( 27.833 -4.159 0.641) 28.149 23.293 ( -4.918 8.163 3.444) 10.133 23.714 ( 9.986 0.037 7.643) 12.575 ======================= Grid point 672 (346/361) ======================= q-point: (-0.10 -0.60 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.636 ( 7.694 12.916 -9.975) 18.042 2.965 ( -6.647 -4.471 -3.612) 8.787 3.150 ( 0.714 2.895 7.696) 8.253 3.420 ( 3.614 -2.948 4.728) 6.641 3.631 ( 1.682 -14.065 5.303) 15.125 3.736 ( 1.118 8.428 2.349) 8.820 4.242 ( 9.922 -1.444 -4.210) 10.874 4.811 ( 1.077 -3.306 7.163) 7.962 5.301 ( -11.567 4.328 -1.532) 12.445 5.564 ( -14.089 -2.492 -1.313) 14.368 5.916 ( -8.750 3.391 -5.618) 10.937 6.006 ( -6.642 7.907 -2.076) 10.533 6.287 ( 8.760 0.091 -3.452) 9.416 6.719 ( 7.227 2.142 0.272) 7.543 7.015 ( 1.991 -14.853 -3.165) 15.316 7.513 ( 4.280 -17.917 -1.345) 18.471 8.914 ( -10.252 9.763 2.532) 14.381 9.188 ( -1.568 -2.944 1.808) 3.793 9.398 ( 1.314 8.317 -2.449) 8.770 9.555 ( -5.171 5.219 4.042) 8.385 10.238 ( -7.355 -10.898 11.565) 17.510 10.762 ( 18.652 -3.083 -17.762) 25.940 10.973 ( 0.979 3.384 6.542) 7.431 11.831 ( 13.094 4.167 0.982) 13.776 12.530 ( -1.551 4.691 -0.563) 4.973 12.670 ( -1.118 0.220 -5.722) 5.834 12.958 ( -6.154 -4.401 5.710) 9.478 13.441 ( 6.053 11.683 -1.803) 13.281 17.475 ( -8.473 -1.079 1.421) 8.658 18.610 ( 3.578 -10.449 -3.290) 11.524 18.772 ( -3.712 9.182 -0.256) 9.908 19.680 ( -12.316 3.276 1.284) 12.809 20.048 ( -2.112 -7.012 -4.369) 8.528 22.754 ( 21.467 -9.259 0.367) 23.381 23.171 ( -6.975 10.173 3.188) 12.740 23.963 ( 11.407 2.093 9.497) 14.990 ======================= Grid point 678 (347/361) ======================= q-point: (-0.50 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( -0.718 0.000 5.564) 5.610 2.755 ( -0.087 0.000 -2.149) 2.151 2.937 ( 3.336 -0.000 4.943) 5.964 3.032 ( -8.164 0.000 -4.672) 9.406 3.685 ( 5.897 -0.000 10.243) 11.819 3.927 ( -8.645 0.000 -13.451) 15.990 4.212 ( -2.371 0.000 7.082) 7.468 4.357 ( 8.009 -0.000 -6.850) 10.538 5.653 ( -1.620 0.000 6.373) 6.575 5.776 ( 1.966 -0.000 -5.404) 5.750 6.263 ( 6.077 -0.000 6.139) 8.638 6.305 ( -4.058 0.000 1.401) 4.293 6.407 ( -10.370 0.000 4.069) 11.140 6.426 ( 3.697 -0.000 3.661) 5.203 6.631 ( -0.820 0.000 8.576) 8.615 6.818 ( 4.830 -0.000 -11.285) 12.275 9.125 ( 1.941 -0.000 5.462) 5.796 9.233 ( -6.027 0.000 -4.823) 7.719 9.446 ( -9.723 0.000 21.584) 23.673 9.789 ( 6.395 -0.000 -13.203) 14.670 10.234 ( -16.913 0.000 13.126) 21.408 10.596 ( 21.373 -0.000 -21.451) 30.281 11.324 ( 8.251 -0.000 -2.693) 8.680 11.335 ( -9.210 0.000 -2.828) 9.634 12.663 ( -3.663 0.000 9.031) 9.746 12.827 ( 2.114 -0.000 -7.682) 7.968 13.218 ( -17.683 0.000 2.285) 17.830 13.230 ( 17.141 -0.000 1.444) 17.202 18.037 ( 11.860 -0.000 12.612) 17.313 18.292 ( -10.363 0.000 -11.638) 15.583 18.911 ( -0.401 0.000 12.354) 12.360 19.177 ( 1.263 -0.000 -13.394) 13.453 21.385 ( 38.125 -0.000 1.044) 38.139 21.410 ( -33.604 0.000 -1.501) 33.637 23.486 ( -1.240 0.000 -1.246) 1.758 23.500 ( -2.662 0.000 -2.303) 3.520 ======================= Grid point 679 (348/361) ======================= q-point: (-0.40 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.793 ( 9.857 1.480 1.020) 10.019 2.798 ( 10.397 1.188 -0.686) 10.487 2.907 ( -4.927 -2.115 -0.248) 5.368 3.093 ( 6.890 -0.568 6.921) 9.783 3.609 ( -16.695 -1.332 -7.738) 18.449 3.809 ( -4.266 1.682 9.262) 10.335 4.281 ( 3.223 0.122 1.278) 3.469 4.424 ( 12.060 -1.369 -5.948) 13.517 5.673 ( -7.210 -1.815 2.860) 7.966 5.696 ( -4.746 -3.028 -3.469) 6.613 6.236 ( -3.325 1.756 -1.761) 4.152 6.301 ( -7.151 -1.854 -1.080) 7.466 6.439 ( 6.277 -1.816 4.116) 7.723 6.491 ( 1.998 4.316 1.782) 5.079 6.728 ( 1.886 -0.380 0.888) 2.119 6.787 ( 7.349 -6.387 -5.822) 11.344 9.114 ( -5.210 -0.763 -2.677) 5.907 9.218 ( 0.555 1.762 7.875) 8.089 9.544 ( -10.459 0.773 18.403) 21.182 9.695 ( 6.642 1.311 -15.340) 16.768 10.155 ( -20.535 -1.777 15.857) 26.006 10.635 ( 19.688 -0.591 -20.311) 28.293 11.203 ( -5.066 5.240 1.060) 7.365 11.458 ( 13.494 2.390 1.474) 13.783 12.727 ( -4.385 -2.140 8.628) 9.912 12.769 ( 0.911 -2.306 -6.531) 6.986 12.987 ( -16.046 2.264 0.673) 16.219 13.452 ( 15.937 2.989 -0.931) 16.242 17.957 ( -13.604 0.310 -13.497) 19.166 18.322 ( 7.294 0.979 11.302) 13.487 19.041 ( 3.183 3.777 -3.850) 6.263 19.150 ( 9.125 -7.606 2.823) 12.210 20.886 ( -36.567 -0.378 -4.396) 36.832 21.885 ( 34.023 -0.293 -1.753) 34.069 23.461 ( -1.228 3.616 2.435) 4.529 23.519 ( 3.119 -1.619 3.812) 5.185 ======================= Grid point 680 (349/361) ======================= q-point: (-0.30 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.839 ( 5.467 4.386 -1.751) 7.225 2.939 ( 6.228 0.613 1.921) 6.546 3.032 ( 10.907 -1.768 2.339) 11.294 3.199 ( -1.649 -3.088 1.043) 3.653 3.422 ( -2.456 -3.697 -0.025) 4.438 3.797 ( -7.065 1.480 7.010) 10.062 4.300 ( 5.384 4.249 -4.730) 8.332 4.566 ( 8.275 -3.982 1.369) 9.285 5.527 ( -8.543 -0.283 -4.757) 9.782 5.652 ( -11.084 -4.062 3.538) 12.324 6.130 ( -7.297 1.575 -2.513) 7.877 6.221 ( 2.204 0.196 -5.680) 6.096 6.409 ( -3.455 7.051 -2.778) 8.329 6.593 ( 6.545 -4.609 0.731) 8.038 6.738 ( 3.888 -1.575 -2.899) 5.099 6.982 ( 9.947 -12.752 -1.409) 16.234 9.028 ( -6.709 -4.160 -1.936) 8.128 9.265 ( -2.417 7.255 7.892) 10.989 9.542 ( -1.839 4.784 0.316) 5.135 9.673 ( 2.322 -1.681 1.515) 3.242 10.078 ( -22.576 -3.412 18.113) 29.144 10.670 ( 18.395 -0.974 -18.937) 26.418 11.119 ( -3.267 8.799 4.565) 10.437 11.672 ( 15.621 2.101 2.779) 16.005 12.700 ( -3.018 -1.678 -3.534) 4.941 12.759 ( -7.672 -0.051 -3.396) 8.390 12.829 ( -4.708 -1.147 8.275) 9.589 13.587 ( 12.724 5.857 -3.347) 14.402 17.638 ( -12.213 -0.331 -8.428) 14.842 18.453 ( 2.585 -1.136 -0.357) 2.846 19.011 ( 5.865 8.074 -2.042) 10.186 19.442 ( 11.516 -10.235 5.886) 16.493 20.332 ( -35.339 -0.727 -4.392) 35.618 22.281 ( 27.455 -3.017 -5.301) 28.124 23.444 ( -1.404 8.008 5.636) 9.893 23.692 ( 8.377 -2.393 8.395) 12.099 ======================= Grid point 681 (350/361) ======================= q-point: (-0.20 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.837 ( 1.188 8.265 -4.878) 9.670 2.888 ( -8.429 -3.232 1.292) 9.119 3.168 ( 5.649 -2.315 3.441) 7.008 3.370 ( 5.259 -2.500 2.831) 6.474 3.443 ( 3.041 -4.749 0.064) 5.640 3.834 ( 3.508 1.773 6.652) 7.727 4.273 ( 9.085 5.064 -7.536) 12.844 4.729 ( 1.559 -5.170 6.784) 8.671 5.365 ( -6.893 2.261 -2.017) 7.529 5.521 ( -14.316 -1.618 0.362) 14.411 5.949 ( -8.647 0.895 -6.986) 11.153 6.177 ( -3.286 10.167 -2.272) 10.924 6.294 ( 7.771 0.654 -5.208) 9.378 6.734 ( 8.458 -3.665 -1.467) 9.334 6.795 ( 2.212 -6.355 -0.669) 6.762 7.206 ( 7.165 -16.140 -2.627) 17.853 8.952 ( -10.170 -6.380 0.313) 12.010 9.211 ( -1.341 8.179 0.079) 8.289 9.508 ( 2.002 5.741 2.406) 6.538 9.682 ( -6.301 5.569 3.372) 9.060 10.076 ( -14.990 -7.513 19.502) 25.719 10.718 ( 18.118 -1.705 -17.279) 25.095 11.067 ( -3.222 6.766 5.882) 9.527 11.885 ( 12.978 1.689 0.878) 13.116 12.595 ( -4.339 2.188 -2.230) 5.347 12.661 ( -0.697 -0.466 -4.848) 4.920 12.882 ( -4.927 -3.868 6.291) 8.878 13.622 ( 8.932 8.255 -5.185) 13.222 17.458 ( -7.705 -0.792 1.304) 7.855 18.441 ( 2.213 -7.985 -12.874) 15.310 18.980 ( 1.864 13.917 3.299) 14.424 19.701 ( -0.694 -2.283 2.281) 3.301 19.904 ( -16.623 -7.762 0.352) 18.350 22.587 ( 21.307 -8.080 -7.110) 23.871 23.394 ( -3.525 13.115 6.549) 15.078 23.963 ( 10.987 -1.941 9.789) 14.843 ======================= Grid point 682 (351/361) ======================= q-point: (-0.10 -0.50 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.624 ( -9.843 4.369 -5.005) 11.875 2.877 ( -3.474 -2.233 2.048) 4.610 3.235 ( -1.198 6.831 1.625) 7.123 3.369 ( 1.255 -9.193 -2.124) 9.519 3.658 ( 5.701 -8.724 4.012) 11.167 3.920 ( 6.123 13.234 3.161) 14.920 4.357 ( 15.747 -2.611 -3.441) 16.329 4.835 ( -4.676 -3.569 6.771) 8.969 5.231 ( -12.390 6.612 5.206) 14.977 5.373 ( -2.450 -3.663 -3.470) 5.609 5.725 ( -8.613 0.682 -7.963) 11.750 5.963 ( -5.427 9.466 -5.386) 12.168 6.426 ( 9.909 1.946 4.106) 10.901 6.809 ( 3.541 1.317 -1.439) 4.043 6.889 ( 5.553 -9.963 -7.346) 13.567 7.419 ( 3.873 -15.918 2.554) 16.580 8.810 ( -14.912 2.511 0.527) 15.131 9.166 ( 1.847 -2.534 -1.615) 3.527 9.512 ( -2.520 14.156 3.941) 14.909 9.551 ( -3.465 0.083 2.543) 4.299 10.216 ( -7.953 -8.022 16.292) 19.825 10.775 ( 17.056 -1.291 -17.679) 24.599 11.056 ( -3.038 1.430 6.085) 6.950 11.990 ( 6.392 3.063 -2.283) 7.446 12.518 ( -0.583 1.033 -3.740) 3.924 12.601 ( -1.667 0.199 -2.384) 2.916 12.929 ( -2.838 -4.474 5.803) 7.858 13.576 ( 5.823 9.434 -5.964) 12.589 17.464 ( -2.182 0.873 9.920) 10.195 18.351 ( -0.263 -10.910 -19.067) 21.969 18.917 ( 0.064 11.752 5.249) 12.872 19.498 ( -13.019 2.170 0.125) 13.199 20.035 ( 4.734 -7.711 2.675) 9.435 22.860 ( 16.753 -13.342 -6.954) 22.518 23.259 ( -7.414 17.323 6.076) 19.798 24.222 ( 8.513 -0.680 7.509) 11.372 ======================= Grid point 689 (352/361) ======================= q-point: (-0.40 -0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.870 ( -1.927 0.000 5.120) 5.471 2.968 ( 16.747 -0.000 -3.819) 17.177 3.004 ( 9.582 -0.000 2.199) 9.831 3.164 ( -7.428 0.000 -1.822) 7.648 3.393 ( 2.180 -0.000 1.840) 2.853 3.808 ( -8.694 0.000 5.984) 10.554 4.346 ( 4.808 -0.000 -0.868) 4.885 4.527 ( 10.403 -0.000 -2.371) 10.670 5.524 ( -7.078 0.000 -5.538) 8.987 5.612 ( -10.194 0.000 5.635) 11.648 6.146 ( -9.332 0.000 -3.107) 9.836 6.216 ( 4.381 -0.000 -4.051) 5.967 6.492 ( -2.521 0.000 -4.317) 5.000 6.531 ( 1.471 -0.000 3.810) 4.084 6.745 ( 9.024 -0.000 -8.340) 12.287 6.851 ( 8.773 -0.000 0.279) 8.778 8.989 ( -7.489 0.000 -3.016) 8.074 9.338 ( -1.341 0.000 9.161) 9.259 9.597 ( -10.528 0.000 15.273) 18.550 9.636 ( 10.949 -0.000 -13.590) 17.451 10.049 ( -24.057 0.000 19.888) 31.213 10.661 ( 18.583 -0.000 -19.079) 26.633 11.207 ( -4.218 0.000 4.535) 6.193 11.688 ( 14.250 -0.000 2.395) 14.449 12.689 ( 0.375 -0.000 -5.690) 5.702 12.728 ( -7.078 0.000 2.898) 7.649 12.841 ( -8.336 0.000 4.620) 9.531 13.640 ( 13.170 -0.000 -3.899) 13.736 17.635 ( -12.344 0.000 -8.758) 15.135 18.442 ( 1.626 -0.000 -3.140) 3.536 19.131 ( 15.252 -0.000 -4.317) 15.852 19.302 ( 4.889 -0.000 10.238) 11.345 20.326 ( -36.272 0.000 -3.533) 36.444 22.253 ( 27.069 -0.000 -6.985) 27.955 23.534 ( 0.454 -0.000 5.918) 5.935 23.654 ( 7.476 -0.000 8.850) 11.585 ======================= Grid point 690 (353/361) ======================= q-point: (-0.30 -0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( -19.206 -1.315 0.124) 19.251 2.936 ( -3.199 1.628 8.681) 9.394 3.103 ( 8.562 -2.330 -6.474) 10.984 3.312 ( 15.373 -2.490 1.391) 15.636 3.477 ( 6.255 3.991 -2.581) 7.855 3.816 ( 4.021 -2.188 5.007) 6.784 4.378 ( 6.741 4.818 -3.372) 8.946 4.648 ( 2.857 -3.392 4.408) 6.252 5.378 ( -4.627 -0.136 -4.609) 6.532 5.515 ( -13.248 0.340 4.347) 13.947 5.955 ( -9.183 0.015 -7.360) 11.769 6.296 ( 12.041 0.894 -1.651) 12.186 6.341 ( -3.408 5.720 -7.458) 9.998 6.612 ( 0.977 -5.064 4.146) 6.617 6.785 ( 7.757 0.517 -4.418) 8.941 6.982 ( 8.478 -7.820 -4.973) 12.560 8.846 ( -10.499 -3.643 -1.970) 11.286 9.341 ( -1.221 4.529 -1.603) 4.957 9.602 ( -4.682 4.270 8.073) 10.263 9.721 ( 5.738 -0.593 1.378) 5.931 9.980 ( -23.553 -3.021 24.200) 33.904 10.702 ( 17.672 -0.320 -16.184) 23.965 11.173 ( -6.545 3.923 5.476) 9.392 11.893 ( 11.894 -0.269 0.663) 11.916 12.619 ( -3.258 1.462 -2.792) 4.533 12.650 ( -0.350 -1.314 -4.613) 4.809 12.835 ( -5.684 -1.284 6.218) 8.522 13.721 ( 9.981 2.842 -7.165) 12.611 17.449 ( -7.177 -0.281 1.265) 7.294 18.343 ( 2.080 -2.919 -17.507) 17.870 19.244 ( 7.575 14.971 4.697) 17.423 19.550 ( 7.933 -12.905 5.804) 16.222 19.837 ( -29.877 -0.750 -0.376) 29.889 22.489 ( 20.656 -2.840 -9.406) 22.874 23.587 ( -0.740 7.298 7.940) 10.810 23.910 ( 10.655 -3.102 8.732) 14.121 ======================= Grid point 691 (354/361) ======================= q-point: (-0.20 -0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 652 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.623 ( -17.053 -3.132 2.517) 17.520 2.838 ( -17.921 -1.748 1.480) 18.067 3.203 ( 6.281 -6.568 0.681) 9.113 3.408 ( 8.901 9.505 -8.559) 15.583 3.557 ( 8.871 -3.299 1.065) 9.525 4.065 ( 15.253 1.580 7.362) 17.010 4.383 ( 10.506 6.259 -5.535) 13.424 4.755 ( -4.065 -5.177 7.930) 10.306 5.308 ( 1.787 -1.996 -4.920) 5.603 5.337 ( -15.850 3.678 3.471) 16.637 5.726 ( -9.885 -0.326 -8.170) 12.828 6.116 ( -4.218 6.632 -9.863) 12.611 6.494 ( 13.636 6.125 6.401) 16.261 6.741 ( 7.584 -6.416 -3.535) 10.544 6.830 ( 5.393 0.841 -2.839) 6.152 7.135 ( 5.210 -15.105 0.903) 16.004 8.728 ( -13.772 -7.654 1.480) 15.826 9.225 ( 0.457 6.359 -7.236) 9.644 9.566 ( -7.515 0.951 3.012) 8.152 9.735 ( -3.390 10.946 8.944) 14.536 10.081 ( -10.461 -7.783 20.891) 24.626 10.771 ( 16.809 0.584 -12.745) 21.103 11.104 ( -7.269 3.326 5.128) 9.497 12.012 ( 6.041 -0.128 -2.547) 6.557 12.530 ( -1.685 0.597 -4.866) 5.184 12.613 ( 0.123 0.839 -2.380) 2.526 12.845 ( -4.626 -4.393 4.652) 7.895 13.701 ( 7.370 4.686 -10.312) 13.514 17.480 ( 0.412 0.864 11.315) 11.356 18.174 ( 2.292 -7.777 -22.467) 23.885 19.190 ( -2.198 17.682 5.916) 18.775 19.527 ( -13.805 1.137 0.073) 13.852 19.839 ( 5.203 -14.205 4.503) 15.784 22.680 ( 17.206 -6.915 -9.010) 20.617 23.551 ( -4.055 14.613 7.026) 16.714 24.167 ( 8.183 -4.949 5.196) 10.883 ======================= Grid point 692 (355/361) ======================= q-point: (-0.10 -0.40 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( -15.240 -1.706 0.138) 15.336 2.677 ( -20.711 -11.679 9.357) 25.552 3.334 ( 5.995 1.135 -2.600) 6.633 3.392 ( 14.881 3.031 -6.371) 16.469 3.665 ( 1.142 -4.565 -0.803) 4.774 4.165 ( 2.895 17.383 2.402) 17.785 4.527 ( 11.579 -1.426 0.065) 11.667 4.806 ( -0.567 -2.638 1.828) 3.259 5.140 ( -11.739 1.943 4.103) 12.586 5.345 ( 3.937 -5.516 -2.572) 7.248 5.549 ( -5.149 -0.891 -2.160) 5.654 5.896 ( -2.342 7.164 -7.922) 10.935 6.679 ( 7.497 7.744 8.861) 13.954 6.755 ( 2.212 -1.103 -10.389) 10.679 6.871 ( 3.524 -1.082 -1.761) 4.086 7.427 ( 6.540 -13.371 8.980) 17.383 8.610 ( -14.435 -4.115 3.618) 15.440 9.139 ( 3.315 -2.176 -6.008) 7.199 9.465 ( -7.256 -0.231 -1.238) 7.364 9.691 ( -2.688 12.877 8.004) 15.398 10.246 ( -7.740 -6.172 16.331) 19.097 10.802 ( 9.788 4.635 -11.733) 15.967 11.069 ( -2.835 -1.457 3.986) 5.104 12.004 ( -0.231 0.026 -4.607) 4.613 12.454 ( -1.463 -1.087 -3.451) 3.903 12.579 ( -1.601 2.112 0.630) 2.724 12.914 ( -1.394 -7.115 4.563) 8.567 13.612 ( 6.168 4.816 -12.478) 14.728 17.642 ( 4.591 4.499 8.583) 10.724 18.063 ( 4.300 -9.801 -12.837) 16.713 19.067 ( -2.572 14.267 3.342) 14.877 19.401 ( -2.791 0.601 -0.521) 2.902 20.032 ( 0.882 -9.869 2.474) 10.213 22.880 ( 14.831 -10.404 -7.440) 19.585 23.377 ( -9.127 19.741 4.759) 22.263 24.318 ( 1.473 -5.556 0.403) 5.762 ======================= Grid point 700 (356/361) ======================= q-point: (-0.30 -0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.583 ( -19.472 0.000 6.225) 20.442 2.822 ( -22.409 0.000 -1.672) 22.471 3.144 ( 7.849 -0.000 1.365) 7.967 3.503 ( 13.422 -0.000 -6.456) 14.894 3.536 ( 7.872 -0.000 -4.396) 9.016 4.053 ( 20.317 -0.000 6.381) 21.295 4.478 ( 8.783 -0.000 -2.526) 9.138 4.687 ( -5.326 0.000 7.851) 9.487 5.284 ( 0.581 -0.000 -6.740) 6.765 5.377 ( -14.532 0.000 3.924) 15.053 5.722 ( -10.222 0.000 -8.183) 13.094 6.174 ( -3.189 0.000 -11.817) 12.239 6.594 ( 21.589 -0.000 4.113) 21.977 6.667 ( 2.738 -0.000 4.781) 5.509 6.843 ( 6.556 -0.000 -1.775) 6.792 6.965 ( 3.666 -0.000 -4.687) 5.950 8.651 ( -13.908 0.000 0.983) 13.942 9.291 ( 0.441 -0.000 -8.250) 8.262 9.574 ( -10.337 0.000 3.183) 10.816 9.878 ( 9.041 -0.000 2.226) 9.311 9.964 ( -22.564 0.000 30.643) 38.054 10.779 ( 16.625 -0.000 -10.149) 19.478 11.140 ( -9.032 0.000 4.675) 10.170 12.007 ( 6.107 -0.000 -2.438) 6.576 12.538 ( -1.680 0.000 -6.681) 6.889 12.621 ( 1.198 -0.000 -1.530) 1.944 12.801 ( -6.187 0.000 4.151) 7.450 13.742 ( 7.806 -0.000 -11.855) 14.194 17.489 ( 1.533 -0.000 12.239) 12.334 18.103 ( 2.649 -0.000 -24.269) 24.413 19.447 ( -17.405 0.000 8.710) 19.463 19.548 ( 0.358 -0.000 2.388) 2.415 19.602 ( 5.836 -0.000 0.422) 5.852 22.619 ( 17.268 -0.000 -9.595) 19.755 23.705 ( -2.728 0.000 8.946) 9.353 24.101 ( 8.146 -0.000 2.646) 8.565 ======================= Grid point 701 (357/361) ======================= q-point: (-0.20 -0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( -21.823 0.914 1.510) 21.895 2.494 ( -20.683 -7.758 8.800) 23.779 3.284 ( 7.508 -2.161 1.332) 7.926 3.489 ( 12.742 3.164 -14.921) 19.875 3.637 ( 4.445 0.330 -0.334) 4.470 4.401 ( 8.477 6.004 10.381) 14.686 4.536 ( 12.929 5.009 -4.524) 14.585 4.721 ( -0.736 -6.404 2.458) 6.899 5.186 ( -7.836 2.476 -3.258) 8.840 5.249 ( -4.218 -4.236 -1.649) 6.201 5.537 ( -6.156 -0.381 -0.872) 6.229 5.992 ( -0.894 3.026 -10.773) 11.226 6.738 ( 6.634 -0.340 -7.894) 10.317 6.807 ( 9.079 2.736 -3.961) 10.277 6.912 ( 1.952 8.809 9.475) 13.084 7.170 ( 12.643 -14.505 11.189) 22.258 8.501 ( -15.769 -4.981 5.367) 17.386 9.172 ( 0.782 3.071 -9.728) 10.231 9.445 ( -9.356 -1.280 -1.492) 9.561 9.915 ( -2.548 11.639 9.111) 14.999 10.112 ( -9.790 -8.977 19.353) 23.473 10.897 ( 12.704 4.343 -5.081) 14.355 11.047 ( -9.487 -1.049 3.202) 10.068 11.999 ( -0.515 -0.226 -5.323) 5.353 12.431 ( -2.949 -1.107 -4.668) 5.631 12.618 ( 0.100 1.769 -0.003) 1.772 12.802 ( -2.800 -4.284 4.039) 6.519 13.667 ( 7.121 1.494 -16.205) 17.763 17.729 ( 8.463 5.015 11.174) 14.888 17.900 ( 4.965 -7.469 -15.987) 18.331 19.302 ( -7.268 6.940 6.076) 11.743 19.461 ( -1.930 8.953 -2.970) 9.628 19.810 ( 2.446 -13.473 3.596) 14.157 22.755 ( 15.855 -3.630 -8.463) 18.335 23.687 ( -6.202 12.843 6.702) 15.758 24.187 ( 0.445 -7.434 -3.548) 8.249 ======================= Grid point 702 (358/361) ======================= q-point: (-0.10 -0.30 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -18.578 -7.178 6.148) 20.843 2.519 ( -11.262 -7.546 16.437) 21.306 3.389 ( 6.360 0.412 -3.144) 7.107 3.500 ( 12.489 -4.021 -12.205) 17.919 3.631 ( -0.833 2.947 -1.190) 3.286 4.322 ( -5.049 15.452 0.630) 16.268 4.540 ( -7.998 5.829 -1.696) 10.041 4.877 ( 11.181 -6.463 -5.496) 14.035 5.074 ( -2.506 0.423 2.784) 3.769 5.325 ( 10.045 -8.266 0.641) 13.024 5.548 ( -0.088 -0.782 7.069) 7.113 5.867 ( 3.457 4.576 -6.319) 8.534 6.618 ( -2.292 2.217 -13.591) 13.960 6.814 ( 1.580 -0.350 -4.832) 5.095 7.015 ( 0.076 9.205 16.103) 18.549 7.581 ( 9.411 -4.568 11.507) 15.551 8.469 ( -8.754 -8.827 10.211) 16.088 9.076 ( 3.015 -2.211 -8.278) 9.084 9.318 ( -6.979 -3.063 -3.907) 8.565 9.846 ( -2.928 13.721 4.444) 14.717 10.264 ( -9.235 -6.878 16.284) 19.944 10.792 ( -8.083 6.391 -3.104) 10.761 11.089 ( 5.476 -1.473 -0.397) 5.685 11.893 ( -5.056 -1.364 -5.768) 7.791 12.404 ( -1.011 -3.073 1.718) 3.663 12.585 ( -2.611 2.283 0.397) 3.491 12.878 ( -1.232 -6.987 3.667) 7.986 13.552 ( 8.274 1.462 -17.672) 19.568 17.680 ( 4.858 1.223 -13.675) 14.563 18.176 ( 15.320 -2.805 12.831) 20.179 19.167 ( -5.313 16.343 -1.626) 17.262 19.412 ( 7.041 -1.995 -0.485) 7.334 19.949 ( -3.945 -10.636 3.215) 11.791 22.916 ( 14.031 -7.062 -7.596) 17.448 23.458 ( -12.022 21.699 2.339) 24.917 24.163 ( -7.628 -11.521 -6.264) 15.171 ======================= Grid point 711 (359/361) ======================= q-point: (-0.20 -0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 361 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -20.635 0.000 5.755) 21.422 2.444 ( -10.768 0.000 17.821) 20.822 3.387 ( 8.174 -0.000 -0.822) 8.215 3.467 ( 8.859 -0.000 -15.435) 17.797 3.662 ( 1.140 -0.000 -2.639) 2.875 4.472 ( -17.094 0.000 9.005) 19.321 4.658 ( 7.870 -0.000 -4.418) 9.025 4.733 ( 6.540 -0.000 -12.003) 13.669 5.126 ( -6.899 0.000 4.314) 8.136 5.209 ( 17.444 -0.000 -1.293) 17.492 5.541 ( -1.223 0.000 8.224) 8.315 5.912 ( 3.980 -0.000 -7.940) 8.881 6.640 ( -0.411 0.000 -14.719) 14.725 6.808 ( 1.337 -0.000 -5.491) 5.652 7.120 ( -2.854 0.000 17.614) 17.844 7.520 ( 19.531 -0.000 13.250) 23.602 8.370 ( -13.093 0.000 11.578) 17.478 9.080 ( 1.365 -0.000 -9.850) 9.944 9.278 ( -7.601 0.000 -4.717) 8.946 10.026 ( 6.641 -0.000 -8.196) 10.549 10.147 ( -18.921 0.000 30.727) 36.085 10.863 ( -17.178 0.000 1.625) 17.255 11.072 ( 11.155 -0.000 -2.017) 11.336 11.882 ( -5.139 0.000 -6.503) 8.289 12.368 ( -2.050 0.000 1.953) 2.831 12.612 ( -2.293 0.000 -1.148) 2.564 12.805 ( -0.716 0.000 4.084) 4.147 13.565 ( 9.110 -0.000 -19.529) 21.550 17.691 ( 5.627 -0.000 -16.414) 17.351 18.147 ( 16.414 -0.000 15.022) 22.250 19.370 ( 6.034 -0.000 3.876) 7.172 19.388 ( -6.208 0.000 -8.571) 10.583 19.808 ( -2.907 0.000 6.683) 7.288 22.853 ( 14.554 -0.000 -8.170) 16.690 23.737 ( -8.491 0.000 6.254) 10.546 23.977 ( -10.317 0.000 -11.471) 15.428 ======================= Grid point 712 (360/361) ======================= q-point: (-0.10 -0.20 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 650 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( -8.478 -4.018 13.462) 16.409 2.587 ( -4.872 -3.487 21.005) 21.842 3.354 ( -1.270 0.527 -11.563) 11.645 3.498 ( 8.183 -2.234 -1.980) 8.710 3.621 ( 3.183 0.435 -7.855) 8.487 4.282 ( -13.066 5.343 0.232) 14.118 4.496 ( -2.788 12.948 -8.078) 15.514 4.754 ( -0.321 -12.070 -6.736) 13.827 5.163 ( 4.484 0.960 6.405) 7.877 5.532 ( 20.443 -2.830 -0.558) 20.646 5.677 ( 2.972 -0.611 13.394) 13.734 5.917 ( 8.805 1.780 -4.718) 10.147 6.412 ( -8.553 1.500 -9.904) 13.172 6.733 ( -2.549 -0.595 -5.909) 6.462 7.254 ( -2.172 5.306 14.093) 15.215 7.863 ( 9.241 6.540 11.026) 15.803 8.457 ( -4.858 -10.298 17.324) 20.731 8.999 ( 3.091 -1.216 -8.699) 9.311 9.147 ( -5.084 -3.784 -4.691) 7.885 9.936 ( 2.205 10.132 -7.538) 12.820 10.280 ( -13.826 -5.053 23.693) 27.894 10.628 ( -17.790 0.895 2.661) 18.010 11.128 ( 4.023 0.913 -7.342) 8.422 11.738 ( -6.474 -0.816 -3.859) 7.581 12.417 ( -0.844 -2.757 6.494) 7.105 12.529 ( -3.094 0.275 -4.819) 5.733 12.869 ( -0.292 -3.161 4.787) 5.744 13.480 ( 11.146 0.541 -17.681) 20.908 17.625 ( 7.513 0.484 -9.943) 12.471 18.531 ( 17.217 -1.063 7.369) 18.758 19.126 ( -6.645 9.716 -9.436) 15.086 19.579 ( 17.602 -1.553 0.315) 17.674 19.854 ( -8.805 -5.661 11.049) 15.220 22.942 ( 10.387 -3.304 -10.369) 15.044 23.463 ( -15.430 20.976 -3.209) 26.237 23.803 ( -13.374 -16.292 -4.797) 21.617 ======================= Grid point 722 (361/361) ======================= q-point: (-0.10 -0.10 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.142 ( -1.224 0.000 14.861) 14.911 2.791 ( -1.319 0.000 20.183) 20.226 3.180 ( -5.900 0.000 -6.532) 8.802 3.546 ( 2.485 -0.000 -10.511) 10.801 3.589 ( 10.429 -0.000 -4.742) 11.456 4.120 ( -8.562 0.000 -4.516) 9.680 4.417 ( -3.082 0.000 -9.524) 10.011 4.602 ( -4.385 0.000 -2.804) 5.204 5.357 ( 8.690 -0.000 9.235) 12.681 5.711 ( 4.372 -0.000 5.823) 7.282 5.925 ( 12.574 -0.000 5.379) 13.676 6.015 ( 12.048 -0.000 -5.024) 13.054 6.223 ( -7.094 0.000 -2.262) 7.446 6.606 ( -4.876 0.000 -5.847) 7.613 7.391 ( -3.096 0.000 12.510) 12.887 8.127 ( 5.887 -0.000 5.446) 8.020 8.567 ( -5.305 0.000 21.643) 22.284 8.935 ( 3.403 -0.000 -8.648) 9.293 9.035 ( -2.370 0.000 -0.889) 2.531 9.884 ( 3.902 -0.000 -15.427) 15.912 10.376 ( -12.953 0.000 26.496) 29.492 10.432 ( -17.337 0.000 6.808) 18.626 11.015 ( -0.905 0.000 -14.163) 14.192 11.597 ( -8.158 0.000 -4.477) 9.306 12.438 ( 2.857 -0.000 -7.625) 8.143 12.467 ( -2.428 0.000 6.972) 7.383 12.925 ( -0.457 0.000 7.293) 7.307 13.448 ( 11.055 -0.000 -14.758) 18.439 17.658 ( 8.960 -0.000 -4.185) 9.889 18.664 ( -0.255 0.000 -9.908) 9.911 19.082 ( 10.290 -0.000 -1.904) 10.464 19.669 ( -3.968 0.000 -0.513) 4.001 20.059 ( 15.896 -0.000 18.416) 24.327 22.796 ( -9.076 0.000 -19.772) 21.756 23.299 ( -7.015 0.000 -4.710) 8.449 23.552 ( -11.498 0.000 2.656) 11.800 =================== 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 3/46800 10.0 3261.184 4026.469 4202.627 -0.000 1002.069 -0.000 3/46800 20.0 482.622 547.721 639.886 -0.000 81.405 -0.000 3/46800 30.0 152.017 152.883 190.537 -0.000 17.081 -0.000 3/46800 40.0 73.730 69.290 89.620 -0.000 6.035 -0.000 3/46800 50.0 44.808 40.484 53.599 -0.000 2.760 -0.000 3/46800 60.0 31.093 27.417 36.848 -0.000 1.455 -0.000 3/46800 70.0 23.458 20.369 27.634 -0.000 0.832 -0.000 3/46800 80.0 18.716 16.094 21.958 -0.000 0.495 -0.000 3/46800 90.0 15.534 13.278 18.171 -0.000 0.295 -0.000 3/46800 100.0 13.272 11.303 15.491 -0.000 0.168 -0.000 3/46800 110.0 11.592 9.852 13.507 -0.000 0.083 -0.000 3/46800 120.0 10.302 8.743 11.985 -0.000 0.026 -0.000 3/46800 130.0 9.282 7.871 10.783 -0.000 -0.015 -0.000 3/46800 140.0 8.457 7.166 9.812 -0.000 -0.043 -0.000 3/46800 150.0 7.776 6.585 9.010 -0.000 -0.063 -0.000 3/46800 160.0 7.205 6.098 8.338 -0.000 -0.077 -0.000 3/46800 170.0 6.720 5.683 7.766 -0.000 -0.086 -0.000 3/46800 180.0 6.302 5.325 7.272 -0.000 -0.092 -0.000 3/46800 190.0 5.938 5.012 6.842 -0.000 -0.096 -0.000 3/46800 200.0 5.617 4.737 6.464 -0.000 -0.098 -0.000 3/46800 210.0 5.334 4.493 6.128 -0.000 -0.099 -0.000 3/46800 220.0 5.080 4.274 5.828 -0.000 -0.098 -0.000 3/46800 230.0 4.852 4.077 5.557 -0.000 -0.097 -0.000 3/46800 240.0 4.645 3.899 5.313 -0.000 -0.096 -0.000 3/46800 250.0 4.457 3.737 5.090 -0.000 -0.094 -0.000 3/46800 260.0 4.284 3.588 4.886 -0.000 -0.092 -0.000 3/46800 270.0 4.126 3.451 4.699 -0.000 -0.090 -0.000 3/46800 280.0 3.980 3.325 4.526 -0.000 -0.087 -0.000 3/46800 290.0 3.845 3.209 4.366 -0.000 -0.085 -0.000 3/46800 300.0 3.719 3.100 4.218 -0.000 -0.083 -0.000 3/46800 310.0 3.602 2.999 4.080 -0.000 -0.080 -0.000 3/46800 320.0 3.492 2.905 3.950 -0.000 -0.078 -0.000 3/46800 330.0 3.389 2.816 3.829 -0.000 -0.076 -0.000 3/46800 340.0 3.292 2.733 3.716 -0.000 -0.074 -0.000 3/46800 350.0 3.201 2.655 3.609 -0.000 -0.072 -0.000 3/46800 360.0 3.115 2.582 3.508 -0.000 -0.070 -0.000 3/46800 370.0 3.034 2.512 3.413 -0.000 -0.068 -0.000 3/46800 380.0 2.957 2.446 3.323 -0.000 -0.066 -0.000 3/46800 390.0 2.884 2.384 3.238 -0.000 -0.064 -0.000 3/46800 400.0 2.814 2.325 3.157 -0.000 -0.062 -0.000 3/46800 410.0 2.748 2.269 3.080 -0.000 -0.061 -0.000 3/46800 420.0 2.685 2.215 3.007 -0.000 -0.059 -0.000 3/46800 430.0 2.625 2.164 2.938 -0.000 -0.058 -0.000 3/46800 440.0 2.567 2.115 2.871 -0.000 -0.056 -0.000 3/46800 450.0 2.512 2.069 2.808 -0.000 -0.055 -0.000 3/46800 460.0 2.460 2.024 2.747 -0.000 -0.053 -0.000 3/46800 470.0 2.409 1.982 2.689 -0.000 -0.052 -0.000 3/46800 480.0 2.361 1.941 2.633 -0.000 -0.051 -0.000 3/46800 490.0 2.314 1.902 2.580 -0.000 -0.050 -0.000 3/46800 500.0 2.269 1.864 2.528 -0.000 -0.049 -0.000 3/46800 510.0 2.226 1.828 2.479 -0.000 -0.048 -0.000 3/46800 520.0 2.185 1.793 2.432 -0.000 -0.047 -0.000 3/46800 530.0 2.145 1.760 2.386 -0.000 -0.046 -0.000 3/46800 540.0 2.107 1.728 2.342 -0.000 -0.045 -0.000 3/46800 550.0 2.070 1.697 2.300 -0.000 -0.044 -0.000 3/46800 560.0 2.034 1.667 2.259 -0.000 -0.043 -0.000 3/46800 570.0 1.999 1.638 2.220 -0.000 -0.042 -0.000 3/46800 580.0 1.966 1.610 2.182 -0.000 -0.041 -0.000 3/46800 590.0 1.933 1.583 2.145 -0.000 -0.040 -0.000 3/46800 600.0 1.902 1.557 2.109 -0.000 -0.040 -0.000 3/46800 610.0 1.872 1.531 2.075 -0.000 -0.039 -0.000 3/46800 620.0 1.843 1.507 2.042 -0.000 -0.038 -0.000 3/46800 630.0 1.814 1.483 2.010 -0.000 -0.038 -0.000 3/46800 640.0 1.786 1.460 1.978 -0.000 -0.037 -0.000 3/46800 650.0 1.760 1.438 1.948 -0.000 -0.036 -0.000 3/46800 660.0 1.734 1.417 1.919 -0.000 -0.036 -0.000 3/46800 670.0 1.709 1.396 1.890 -0.000 -0.035 -0.000 3/46800 680.0 1.684 1.375 1.863 -0.000 -0.034 -0.000 3/46800 690.0 1.660 1.356 1.836 -0.000 -0.034 -0.000 3/46800 700.0 1.637 1.336 1.810 -0.000 -0.033 -0.000 3/46800 710.0 1.615 1.318 1.785 -0.000 -0.033 -0.000 3/46800 720.0 1.593 1.300 1.760 -0.000 -0.032 -0.000 3/46800 730.0 1.571 1.282 1.736 -0.000 -0.032 -0.000 3/46800 740.0 1.551 1.265 1.713 -0.000 -0.031 -0.000 3/46800 750.0 1.530 1.248 1.690 -0.000 -0.031 -0.000 3/46800 760.0 1.511 1.232 1.668 -0.000 -0.030 -0.000 3/46800 770.0 1.491 1.216 1.646 -0.000 -0.030 -0.000 3/46800 780.0 1.473 1.201 1.625 -0.000 -0.030 -0.000 3/46800 790.0 1.454 1.185 1.605 -0.000 -0.029 -0.000 3/46800 800.0 1.437 1.171 1.585 -0.000 -0.029 -0.000 3/46800 810.0 1.419 1.156 1.565 -0.000 -0.028 -0.000 3/46800 820.0 1.402 1.142 1.546 -0.000 -0.028 -0.000 3/46800 830.0 1.386 1.129 1.528 -0.000 -0.028 -0.000 3/46800 840.0 1.369 1.115 1.510 -0.000 -0.027 -0.000 3/46800 850.0 1.354 1.102 1.492 -0.000 -0.027 -0.000 3/46800 860.0 1.338 1.090 1.475 -0.000 -0.027 -0.000 3/46800 870.0 1.323 1.077 1.458 -0.000 -0.026 -0.000 3/46800 880.0 1.308 1.065 1.441 -0.000 -0.026 -0.000 3/46800 890.0 1.294 1.053 1.425 -0.000 -0.026 -0.000 3/46800 900.0 1.280 1.042 1.410 -0.000 -0.025 -0.000 3/46800 910.0 1.266 1.030 1.394 -0.000 -0.025 -0.000 3/46800 920.0 1.252 1.019 1.379 -0.000 -0.025 -0.000 3/46800 930.0 1.239 1.008 1.364 -0.000 -0.024 -0.000 3/46800 940.0 1.226 0.998 1.350 -0.000 -0.024 -0.000 3/46800 950.0 1.213 0.987 1.336 -0.000 -0.024 -0.000 3/46800 960.0 1.201 0.977 1.322 -0.000 -0.024 -0.000 3/46800 970.0 1.189 0.967 1.308 -0.000 -0.023 -0.000 3/46800 980.0 1.177 0.957 1.295 -0.000 -0.023 -0.000 3/46800 990.0 1.165 0.948 1.282 -0.000 -0.023 -0.000 3/46800 1000.0 1.153 0.938 1.269 -0.000 -0.023 -0.000 3/46800 Thermal conductivity related properties were written into "kappa-m101013.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:27:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|