----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:38:48]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-4m2 (115) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.937687050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.937687050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 27.997172960000000 Atomic positions (fractional): *1 La 0.50000000000000 0.00000000000000 0.94307133032171 138.905 2 La 0.00000000000000 0.50000000000000 0.05692866967829 138.905 *3 Th 0.50000000000000 0.00000000000000 0.15258480517950 232.038 *4 Th 0.00000000000000 0.50000000000000 0.25189732636944 232.038 *5 Th 0.50000000000000 0.00000000000000 0.35114474276950 232.038 *6 Th 0.00000000000000 0.50000000000000 0.45038295689837 232.038 7 Th 0.50000000000000 0.00000000000000 0.54961704310163 232.038 8 Th 0.00000000000000 0.50000000000000 0.64885525723050 232.038 9 Th 0.50000000000000 0.00000000000000 0.74810267363056 232.038 10 Th 0.00000000000000 0.50000000000000 0.84741519482050 232.038 *11 O 0.50000000000000 0.50000000000000 0.20066960350808 15.999 *12 O 0.00000000000000 0.00000000000000 0.30216931971794 15.999 *13 O 0.50000000000000 0.50000000000000 0.40053075807826 15.999 *14 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 15 O 0.50000000000000 0.50000000000000 0.59946924192174 15.999 16 O 0.00000000000000 0.00000000000000 0.69783068028206 15.999 17 O 0.50000000000000 0.50000000000000 0.79933039649192 15.999 *18 O 0.00000000000000 0.00000000000000 0.89354333155529 15.999 *19 O 0.00000000000000 0.00000000000000 0.79619348317239 15.999 *20 O 0.50000000000000 0.50000000000000 0.90085960604475 15.999 *21 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 22 O 0.00000000000000 0.00000000000000 0.10645666844471 15.999 23 O 0.50000000000000 0.50000000000000 0.09914039395525 15.999 24 O 0.00000000000000 0.00000000000000 0.20380651682761 15.999 *25 O 0.50000000000000 0.50000000000000 0.30086902862699 15.999 *26 O 0.00000000000000 0.00000000000000 0.40099719723179 15.999 *27 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.59900280276821 15.999 29 O 0.50000000000000 0.50000000000000 0.69913097137302 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.937687050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.937687050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 27.997172960000000 Atomic positions (fractional): *1 La 0.50000000000000 0.00000000000000 0.94307133032171 138.905 > 1 2 La 0.00000000000000 0.50000000000000 0.05692866967829 138.905 > 2 *3 Th 0.50000000000000 0.00000000000000 0.15258480517950 232.038 > 3 *4 Th 0.00000000000000 0.50000000000000 0.25189732636944 232.038 > 4 *5 Th 0.50000000000000 0.00000000000000 0.35114474276950 232.038 > 5 *6 Th 0.00000000000000 0.50000000000000 0.45038295689837 232.038 > 6 7 Th 0.50000000000000 0.00000000000000 0.54961704310163 232.038 > 7 8 Th 0.00000000000000 0.50000000000000 0.64885525723050 232.038 > 8 9 Th 0.50000000000000 0.00000000000000 0.74810267363056 232.038 > 9 10 Th 0.00000000000000 0.50000000000000 0.84741519482050 232.038 > 10 *11 O 0.50000000000000 0.50000000000000 0.20066960350808 15.999 > 11 *12 O 0.00000000000000 0.00000000000000 0.30216931971794 15.999 > 12 *13 O 0.50000000000000 0.50000000000000 0.40053075807826 15.999 > 13 *14 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 14 15 O 0.50000000000000 0.50000000000000 0.59946924192174 15.999 > 15 16 O 0.00000000000000 0.00000000000000 0.69783068028206 15.999 > 16 17 O 0.50000000000000 0.50000000000000 0.79933039649192 15.999 > 17 *18 O 0.00000000000000 0.00000000000000 0.89354333155529 15.999 > 18 *19 O 0.00000000000000 0.00000000000000 0.79619348317239 15.999 > 19 *20 O 0.50000000000000 0.50000000000000 0.90085960604475 15.999 > 20 *21 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 21 22 O 0.00000000000000 0.00000000000000 0.10645666844471 15.999 > 22 23 O 0.50000000000000 0.50000000000000 0.09914039395525 15.999 > 23 24 O 0.00000000000000 0.00000000000000 0.20380651682761 15.999 > 24 *25 O 0.50000000000000 0.50000000000000 0.30086902862699 15.999 > 25 *26 O 0.00000000000000 0.00000000000000 0.40099719723179 15.999 > 26 *27 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 27 28 O 0.00000000000000 0.00000000000000 0.59900280276821 15.999 > 28 29 O 0.50000000000000 0.50000000000000 0.69913097137302 15.999 > 29 -------------------------------- super cell -------------------------------- Lattice vectors: a 7.875374100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.875374100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 27.997172960000000 Atomic positions (fractional): *1 La 0.25000000000000 0.00000000000000 0.94307133032171 138.905 > 1 2 La 0.75000000000000 0.00000000000000 0.94307133032171 138.905 > 1 3 La 0.25000000000000 0.50000000000000 0.94307133032171 138.905 > 1 4 La 0.75000000000000 0.50000000000000 0.94307133032171 138.905 > 1 5 La 0.00000000000000 0.25000000000000 0.05692866967829 138.905 > 2 6 La 0.50000000000000 0.25000000000000 0.05692866967829 138.905 > 2 7 La 0.00000000000000 0.75000000000000 0.05692866967829 138.905 > 2 8 La 0.50000000000000 0.75000000000000 0.05692866967829 138.905 > 2 *9 Th 0.25000000000000 0.00000000000000 0.15258480517950 232.038 > 3 10 Th 0.75000000000000 0.00000000000000 0.15258480517950 232.038 > 3 11 Th 0.25000000000000 0.50000000000000 0.15258480517950 232.038 > 3 12 Th 0.75000000000000 0.50000000000000 0.15258480517950 232.038 > 3 *13 Th 0.00000000000000 0.25000000000000 0.25189732636944 232.038 > 4 14 Th 0.50000000000000 0.25000000000000 0.25189732636944 232.038 > 4 15 Th 0.00000000000000 0.75000000000000 0.25189732636944 232.038 > 4 16 Th 0.50000000000000 0.75000000000000 0.25189732636944 232.038 > 4 *17 Th 0.25000000000000 0.00000000000000 0.35114474276950 232.038 > 5 18 Th 0.75000000000000 0.00000000000000 0.35114474276950 232.038 > 5 19 Th 0.25000000000000 0.50000000000000 0.35114474276950 232.038 > 5 20 Th 0.75000000000000 0.50000000000000 0.35114474276950 232.038 > 5 *21 Th 0.00000000000000 0.25000000000000 0.45038295689837 232.038 > 6 22 Th 0.50000000000000 0.25000000000000 0.45038295689837 232.038 > 6 23 Th 0.00000000000000 0.75000000000000 0.45038295689837 232.038 > 6 24 Th 0.50000000000000 0.75000000000000 0.45038295689837 232.038 > 6 25 Th 0.25000000000000 0.00000000000000 0.54961704310163 232.038 > 7 26 Th 0.75000000000000 0.00000000000000 0.54961704310163 232.038 > 7 27 Th 0.25000000000000 0.50000000000000 0.54961704310163 232.038 > 7 28 Th 0.75000000000000 0.50000000000000 0.54961704310163 232.038 > 7 29 Th 0.00000000000000 0.25000000000000 0.64885525723050 232.038 > 8 30 Th 0.50000000000000 0.25000000000000 0.64885525723050 232.038 > 8 31 Th 0.00000000000000 0.75000000000000 0.64885525723050 232.038 > 8 32 Th 0.50000000000000 0.75000000000000 0.64885525723050 232.038 > 8 33 Th 0.25000000000000 0.00000000000000 0.74810267363056 232.038 > 9 34 Th 0.75000000000000 0.00000000000000 0.74810267363056 232.038 > 9 35 Th 0.25000000000000 0.50000000000000 0.74810267363056 232.038 > 9 36 Th 0.75000000000000 0.50000000000000 0.74810267363056 232.038 > 9 37 Th 0.00000000000000 0.25000000000000 0.84741519482050 232.038 > 10 38 Th 0.50000000000000 0.25000000000000 0.84741519482050 232.038 > 10 39 Th 0.00000000000000 0.75000000000000 0.84741519482050 232.038 > 10 40 Th 0.50000000000000 0.75000000000000 0.84741519482050 232.038 > 10 *41 O 0.25000000000000 0.25000000000000 0.20066960350808 15.999 > 11 42 O 0.75000000000000 0.25000000000000 0.20066960350808 15.999 > 11 43 O 0.25000000000000 0.75000000000000 0.20066960350808 15.999 > 11 44 O 0.75000000000000 0.75000000000000 0.20066960350808 15.999 > 11 *45 O 0.00000000000000 0.00000000000000 0.30216931971794 15.999 > 12 46 O 0.50000000000000 0.00000000000000 0.30216931971794 15.999 > 12 47 O 0.00000000000000 0.50000000000000 0.30216931971794 15.999 > 12 48 O 0.50000000000000 0.50000000000000 0.30216931971794 15.999 > 12 *49 O 0.25000000000000 0.25000000000000 0.40053075807826 15.999 > 13 50 O 0.75000000000000 0.25000000000000 0.40053075807826 15.999 > 13 51 O 0.25000000000000 0.75000000000000 0.40053075807826 15.999 > 13 52 O 0.75000000000000 0.75000000000000 0.40053075807826 15.999 > 13 *53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 14 54 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 14 55 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 14 56 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 14 57 O 0.25000000000000 0.25000000000000 0.59946924192174 15.999 > 15 58 O 0.75000000000000 0.25000000000000 0.59946924192174 15.999 > 15 59 O 0.25000000000000 0.75000000000000 0.59946924192174 15.999 > 15 60 O 0.75000000000000 0.75000000000000 0.59946924192174 15.999 > 15 61 O 0.00000000000000 0.00000000000000 0.69783068028206 15.999 > 16 62 O 0.50000000000000 0.00000000000000 0.69783068028206 15.999 > 16 63 O 0.00000000000000 0.50000000000000 0.69783068028206 15.999 > 16 64 O 0.50000000000000 0.50000000000000 0.69783068028206 15.999 > 16 65 O 0.25000000000000 0.25000000000000 0.79933039649192 15.999 > 17 66 O 0.75000000000000 0.25000000000000 0.79933039649192 15.999 > 17 67 O 0.25000000000000 0.75000000000000 0.79933039649192 15.999 > 17 68 O 0.75000000000000 0.75000000000000 0.79933039649192 15.999 > 17 *69 O 0.00000000000000 0.00000000000000 0.89354333155529 15.999 > 18 70 O 0.50000000000000 0.00000000000000 0.89354333155529 15.999 > 18 71 O 0.00000000000000 0.50000000000000 0.89354333155529 15.999 > 18 72 O 0.50000000000000 0.50000000000000 0.89354333155529 15.999 > 18 *73 O 0.00000000000000 0.00000000000000 0.79619348317239 15.999 > 19 74 O 0.50000000000000 0.00000000000000 0.79619348317239 15.999 > 19 75 O 0.00000000000000 0.50000000000000 0.79619348317239 15.999 > 19 76 O 0.50000000000000 0.50000000000000 0.79619348317239 15.999 > 19 *77 O 0.25000000000000 0.25000000000000 0.90085960604475 15.999 > 20 78 O 0.75000000000000 0.25000000000000 0.90085960604475 15.999 > 20 79 O 0.25000000000000 0.75000000000000 0.90085960604475 15.999 > 20 80 O 0.75000000000000 0.75000000000000 0.90085960604475 15.999 > 20 *81 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 21 82 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 21 83 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 21 84 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 21 85 O 0.00000000000000 0.00000000000000 0.10645666844471 15.999 > 22 86 O 0.50000000000000 0.00000000000000 0.10645666844471 15.999 > 22 87 O 0.00000000000000 0.50000000000000 0.10645666844471 15.999 > 22 88 O 0.50000000000000 0.50000000000000 0.10645666844471 15.999 > 22 89 O 0.25000000000000 0.25000000000000 0.09914039395525 15.999 > 23 90 O 0.75000000000000 0.25000000000000 0.09914039395525 15.999 > 23 91 O 0.25000000000000 0.75000000000000 0.09914039395525 15.999 > 23 92 O 0.75000000000000 0.75000000000000 0.09914039395525 15.999 > 23 93 O 0.00000000000000 0.00000000000000 0.20380651682761 15.999 > 24 94 O 0.50000000000000 0.00000000000000 0.20380651682761 15.999 > 24 95 O 0.00000000000000 0.50000000000000 0.20380651682761 15.999 > 24 96 O 0.50000000000000 0.50000000000000 0.20380651682761 15.999 > 24 *97 O 0.25000000000000 0.25000000000000 0.30086902862699 15.999 > 25 98 O 0.75000000000000 0.25000000000000 0.30086902862699 15.999 > 25 99 O 0.25000000000000 0.75000000000000 0.30086902862699 15.999 > 25 100 O 0.75000000000000 0.75000000000000 0.30086902862699 15.999 > 25 *101 O 0.00000000000000 0.00000000000000 0.40099719723179 15.999 > 26 102 O 0.50000000000000 0.00000000000000 0.40099719723179 15.999 > 26 103 O 0.00000000000000 0.50000000000000 0.40099719723179 15.999 > 26 104 O 0.50000000000000 0.50000000000000 0.40099719723179 15.999 > 26 *105 O 0.25000000000000 0.25000000000000 0.50000000000000 15.999 > 27 106 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 > 27 107 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 > 27 108 O 0.75000000000000 0.75000000000000 0.50000000000000 15.999 > 27 109 O 0.00000000000000 0.00000000000000 0.59900280276821 15.999 > 28 110 O 0.50000000000000 0.00000000000000 0.59900280276821 15.999 > 28 111 O 0.00000000000000 0.50000000000000 0.59900280276821 15.999 > 28 112 O 0.50000000000000 0.50000000000000 0.59900280276821 15.999 > 28 113 O 0.25000000000000 0.25000000000000 0.69913097137302 15.999 > 29 114 O 0.75000000000000 0.25000000000000 0.69913097137302 15.999 > 29 115 O 0.25000000000000 0.75000000000000 0.69913097137302 15.999 > 29 116 O 0.75000000000000 0.75000000000000 0.69913097137302 15.999 > 29 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8234206 0.0000000 0.0000000 0.0000000 4.8234206 0.0000000 0.0000000 0.0000000 4.7424408 -------------------------- Born effective charges -------------------------- 1 La 4.4685592 0.0000000 0.0000000 0.0000000 3.7542075 0.0000000 0.0000000 0.0000000 4.0496275 2 La 3.7542075 0.0000000 0.0000000 0.0000000 4.4685592 0.0000000 0.0000000 0.0000000 4.0496275 3 Th 5.6185187 0.0000000 0.0000000 0.0000000 5.2188637 0.0000000 0.0000000 0.0000000 5.2329542 4 Th 5.3347681 0.0000000 0.0000000 0.0000000 5.5133265 0.0000000 0.0000000 0.0000000 5.2777341 5 Th 5.4630824 0.0000000 0.0000000 0.0000000 5.3840621 0.0000000 0.0000000 0.0000000 5.2817270 6 Th 5.4002195 0.0000000 0.0000000 0.0000000 5.4454234 0.0000000 0.0000000 0.0000000 5.2833897 7 Th 5.4454234 0.0000000 0.0000000 0.0000000 5.4002195 0.0000000 0.0000000 0.0000000 5.2833897 8 Th 5.3840621 0.0000000 0.0000000 0.0000000 5.4630824 0.0000000 0.0000000 0.0000000 5.2817270 9 Th 5.5133265 0.0000000 0.0000000 0.0000000 5.3347681 0.0000000 0.0000000 0.0000000 5.2777341 10 Th 5.2188637 0.0000000 0.0000000 0.0000000 5.6185187 0.0000000 0.0000000 0.0000000 5.2329542 11 O -2.5856555 0.0000000 0.0000000 0.0000000 -2.8396316 0.0000000 0.0000000 0.0000000 -2.6285541 12 O -2.7623446 0.0000000 0.0000000 0.0000000 -2.6585605 0.0000000 0.0000000 0.0000000 -2.6371385 13 O -2.6928589 0.0000000 0.0000000 0.0000000 -2.7301026 0.0000000 0.0000000 0.0000000 -2.6387453 14 O -2.7108662 0.0000000 0.0000000 0.0000000 -2.7108662 0.0000000 0.0000000 0.0000000 -2.6384359 15 O -2.7301026 0.0000000 0.0000000 0.0000000 -2.6928589 0.0000000 0.0000000 0.0000000 -2.6387453 16 O -2.6585605 0.0000000 0.0000000 0.0000000 -2.7623446 0.0000000 0.0000000 0.0000000 -2.6371385 17 O -2.8396316 0.0000000 0.0000000 0.0000000 -2.5856555 0.0000000 0.0000000 0.0000000 -2.6285541 18 O -2.5568168 0.0000000 0.0000000 0.0000000 -3.0650659 0.0000000 0.0000000 0.0000000 -2.5956001 19 O -2.8348786 0.0000000 0.0000000 0.0000000 -2.5880410 0.0000000 0.0000000 0.0000000 -2.6323186 20 O -2.4409556 0.0000000 0.0000000 0.0000000 -3.1348117 0.0000000 0.0000000 0.0000000 -2.4161682 21 O -2.4442550 0.0000000 0.0000000 0.0000000 -2.4442550 0.0000000 0.0000000 0.0000000 -3.3239733 22 O -3.0650659 0.0000000 0.0000000 0.0000000 -2.5568168 0.0000000 0.0000000 0.0000000 -2.5956001 23 O -3.1348117 0.0000000 0.0000000 0.0000000 -2.4409556 0.0000000 0.0000000 0.0000000 -2.4161682 24 O -2.5880410 0.0000000 0.0000000 0.0000000 -2.8348786 0.0000000 0.0000000 0.0000000 -2.6323186 25 O -2.7630831 0.0000000 0.0000000 0.0000000 -2.6600626 0.0000000 0.0000000 0.0000000 -2.6378698 26 O -2.6921974 0.0000000 0.0000000 0.0000000 -2.7295166 0.0000000 0.0000000 0.0000000 -2.6385604 27 O -2.7113266 0.0000000 0.0000000 0.0000000 -2.7113266 0.0000000 0.0000000 0.0000000 -2.6385459 28 O -2.7295166 0.0000000 0.0000000 0.0000000 -2.6921974 0.0000000 0.0000000 0.0000000 -2.6385604 29 O -2.6600626 0.0000000 0.0000000 0.0000000 -2.7630831 0.0000000 0.0000000 0.0000000 -2.6378698 ---------------------------------------------------------------------------- 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: 348/348 Permutation basis: 15486/15486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2268 Number of blocks in projector: 2268 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 1015 Use submatrix version of eigh solver. (1) Block: 500 / 1015 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1015 / 1015 (2) Block: 250 / 515 (2) 221 eigenvectors found. (2) Block: 515 / 515 (2) 247 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 486 eigenvectors found. (1) Complementary block size: 58 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 523 Use submatrix version of eigh solver. (1) Block: 523 / 523 (2) Block: 250 / 523 (2) 234 eigenvectors found. (2) Block: 523 / 523 (2) 257 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 507 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 305 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 305 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 15 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 15 Use standard eigh solver. Tree of FC basis block matrices: - (2268, 2223), data: False |-- (15, 15), data: True |-- (15, 15), data: True |-- (90, 90), data: True |-- (305, 305), data: True |-- (305, 305), data: True |-- (523, 507), data: False |-- (523, 507), data: False |-- (523, 16), data: (523, 32) @ (32, 16) |-- (273, 257), data: True |-- (250, 234), data: True |-- (1015, 986), data: False |-- (1015, 29), data: (1015, 58) @ (58, 29) |-- (515, 486), data: False |-- (515, 18), data: (515, 47) @ (47, 18) |-- (265, 247), data: True |-- (250, 221), data: True |-- (500, 471), data: False |-- (500, 26), data: (500, 55) @ (55, 26) |-- (250, 224), data: True |-- (250, 221), data: True ----- Solver_atoms: 1 -- 116 / 116 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.605 Solver_block: 200 / 480 - Time: 0.501 Solver_block: 300 / 480 - Time: 0.501 Solver_block: 400 / 480 - Time: 0.500 Solver_block: 480 / 480 - Time: 0.430 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.619 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 348/348 Permutation basis: 15486/15486 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2268 Number of blocks in projector: 2268 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 7 --- Eigsh_solver_block: 1 / 7 --- Block_size: 1015 Use submatrix version of eigh solver. (1) Block: 500 / 1015 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 55 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1015 / 1015 (2) Block: 250 / 515 (2) 221 eigenvectors found. (2) Block: 515 / 515 (2) 247 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 486 eigenvectors found. (1) Complementary block size: 58 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 2 / 7 --- Block_size: 523 Use submatrix version of eigh solver. (1) Block: 523 / 523 (2) Block: 250 / 523 (2) 234 eigenvectors found. (2) Block: 523 / 523 (2) 257 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 507 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 7 --- Block_size: 305 Use standard eigh solver. --- Eigsh_solver_block: 4 / 7 --- Block_size: 305 Use standard eigh solver. --- Eigsh_solver_block: 5 / 7 --- Block_size: 90 Use standard eigh solver. --- Eigsh_solver_block: 6 / 7 --- Block_size: 15 Use standard eigh solver. --- Eigsh_solver_block: 7 / 7 --- Block_size: 15 Use standard eigh solver. Tree of FC basis block matrices: - (2268, 2223), data: False |-- (15, 15), data: True |-- (15, 15), data: True |-- (90, 90), data: True |-- (305, 305), data: True |-- (305, 305), data: True |-- (523, 507), data: False |-- (523, 507), data: False |-- (523, 16), data: (523, 32) @ (32, 16) |-- (273, 257), data: True |-- (250, 234), data: True |-- (1015, 986), data: False |-- (1015, 29), data: (1015, 58) @ (58, 29) |-- (515, 486), data: False |-- (515, 18), data: (515, 47) @ (47, 18) |-- (265, 247), data: True |-- (250, 221), data: True |-- (500, 471), data: False |-- (500, 26), data: (500, 55) @ (55, 26) |-- (250, 224), data: True |-- (250, 221), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:39:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:39:13]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-4m2 (115) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.937687050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.937687050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 27.997172960000000 Atomic positions (fractional): 1 La 0.50000000000000 0.00000000000000 0.94307133032171 138.905 2 La 0.00000000000000 0.50000000000000 0.05692866967829 138.905 3 Th 0.50000000000000 0.00000000000000 0.15258480517950 232.038 4 Th 0.00000000000000 0.50000000000000 0.25189732636944 232.038 5 Th 0.50000000000000 0.00000000000000 0.35114474276950 232.038 6 Th 0.00000000000000 0.50000000000000 0.45038295689837 232.038 7 Th 0.50000000000000 0.00000000000000 0.54961704310163 232.038 8 Th 0.00000000000000 0.50000000000000 0.64885525723050 232.038 9 Th 0.50000000000000 0.00000000000000 0.74810267363056 232.038 10 Th 0.00000000000000 0.50000000000000 0.84741519482050 232.038 11 O 0.50000000000000 0.50000000000000 0.20066960350808 15.999 12 O 0.00000000000000 0.00000000000000 0.30216931971794 15.999 13 O 0.50000000000000 0.50000000000000 0.40053075807826 15.999 14 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 15 O 0.50000000000000 0.50000000000000 0.59946924192174 15.999 16 O 0.00000000000000 0.00000000000000 0.69783068028206 15.999 17 O 0.50000000000000 0.50000000000000 0.79933039649192 15.999 18 O 0.00000000000000 0.00000000000000 0.89354333155529 15.999 19 O 0.00000000000000 0.00000000000000 0.79619348317239 15.999 20 O 0.50000000000000 0.50000000000000 0.90085960604475 15.999 21 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 22 O 0.00000000000000 0.00000000000000 0.10645666844471 15.999 23 O 0.50000000000000 0.50000000000000 0.09914039395525 15.999 24 O 0.00000000000000 0.00000000000000 0.20380651682761 15.999 25 O 0.50000000000000 0.50000000000000 0.30086902862699 15.999 26 O 0.00000000000000 0.00000000000000 0.40099719723179 15.999 27 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.59900280276821 15.999 29 O 0.50000000000000 0.50000000000000 0.69913097137302 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.875374100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.875374100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 27.997172960000000 Atomic positions (fractional): 1 La 0.25000000000000 0.00000000000000 0.94307133032171 138.905 > 1 2 La 0.75000000000000 0.00000000000000 0.94307133032171 138.905 > 1 3 La 0.25000000000000 0.50000000000000 0.94307133032171 138.905 > 1 4 La 0.75000000000000 0.50000000000000 0.94307133032171 138.905 > 1 5 La 0.00000000000000 0.25000000000000 0.05692866967829 138.905 > 5 6 La 0.50000000000000 0.25000000000000 0.05692866967829 138.905 > 5 7 La 0.00000000000000 0.75000000000000 0.05692866967829 138.905 > 5 8 La 0.50000000000000 0.75000000000000 0.05692866967829 138.905 > 5 9 Th 0.25000000000000 0.00000000000000 0.15258480517950 232.038 > 9 10 Th 0.75000000000000 0.00000000000000 0.15258480517950 232.038 > 9 11 Th 0.25000000000000 0.50000000000000 0.15258480517950 232.038 > 9 12 Th 0.75000000000000 0.50000000000000 0.15258480517950 232.038 > 9 13 Th 0.00000000000000 0.25000000000000 0.25189732636944 232.038 > 13 14 Th 0.50000000000000 0.25000000000000 0.25189732636944 232.038 > 13 15 Th 0.00000000000000 0.75000000000000 0.25189732636944 232.038 > 13 16 Th 0.50000000000000 0.75000000000000 0.25189732636944 232.038 > 13 17 Th 0.25000000000000 0.00000000000000 0.35114474276950 232.038 > 17 18 Th 0.75000000000000 0.00000000000000 0.35114474276950 232.038 > 17 19 Th 0.25000000000000 0.50000000000000 0.35114474276950 232.038 > 17 20 Th 0.75000000000000 0.50000000000000 0.35114474276950 232.038 > 17 21 Th 0.00000000000000 0.25000000000000 0.45038295689837 232.038 > 21 22 Th 0.50000000000000 0.25000000000000 0.45038295689837 232.038 > 21 23 Th 0.00000000000000 0.75000000000000 0.45038295689837 232.038 > 21 24 Th 0.50000000000000 0.75000000000000 0.45038295689837 232.038 > 21 25 Th 0.25000000000000 0.00000000000000 0.54961704310163 232.038 > 25 26 Th 0.75000000000000 0.00000000000000 0.54961704310163 232.038 > 25 27 Th 0.25000000000000 0.50000000000000 0.54961704310163 232.038 > 25 28 Th 0.75000000000000 0.50000000000000 0.54961704310163 232.038 > 25 29 Th 0.00000000000000 0.25000000000000 0.64885525723050 232.038 > 29 30 Th 0.50000000000000 0.25000000000000 0.64885525723050 232.038 > 29 31 Th 0.00000000000000 0.75000000000000 0.64885525723050 232.038 > 29 32 Th 0.50000000000000 0.75000000000000 0.64885525723050 232.038 > 29 33 Th 0.25000000000000 0.00000000000000 0.74810267363056 232.038 > 33 34 Th 0.75000000000000 0.00000000000000 0.74810267363056 232.038 > 33 35 Th 0.25000000000000 0.50000000000000 0.74810267363056 232.038 > 33 36 Th 0.75000000000000 0.50000000000000 0.74810267363056 232.038 > 33 37 Th 0.00000000000000 0.25000000000000 0.84741519482050 232.038 > 37 38 Th 0.50000000000000 0.25000000000000 0.84741519482050 232.038 > 37 39 Th 0.00000000000000 0.75000000000000 0.84741519482050 232.038 > 37 40 Th 0.50000000000000 0.75000000000000 0.84741519482050 232.038 > 37 41 O 0.25000000000000 0.25000000000000 0.20066960350808 15.999 > 41 42 O 0.75000000000000 0.25000000000000 0.20066960350808 15.999 > 41 43 O 0.25000000000000 0.75000000000000 0.20066960350808 15.999 > 41 44 O 0.75000000000000 0.75000000000000 0.20066960350808 15.999 > 41 45 O 0.00000000000000 0.00000000000000 0.30216931971794 15.999 > 45 46 O 0.50000000000000 0.00000000000000 0.30216931971794 15.999 > 45 47 O 0.00000000000000 0.50000000000000 0.30216931971794 15.999 > 45 48 O 0.50000000000000 0.50000000000000 0.30216931971794 15.999 > 45 49 O 0.25000000000000 0.25000000000000 0.40053075807826 15.999 > 49 50 O 0.75000000000000 0.25000000000000 0.40053075807826 15.999 > 49 51 O 0.25000000000000 0.75000000000000 0.40053075807826 15.999 > 49 52 O 0.75000000000000 0.75000000000000 0.40053075807826 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 53 56 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 53 57 O 0.25000000000000 0.25000000000000 0.59946924192174 15.999 > 57 58 O 0.75000000000000 0.25000000000000 0.59946924192174 15.999 > 57 59 O 0.25000000000000 0.75000000000000 0.59946924192174 15.999 > 57 60 O 0.75000000000000 0.75000000000000 0.59946924192174 15.999 > 57 61 O 0.00000000000000 0.00000000000000 0.69783068028206 15.999 > 61 62 O 0.50000000000000 0.00000000000000 0.69783068028206 15.999 > 61 63 O 0.00000000000000 0.50000000000000 0.69783068028206 15.999 > 61 64 O 0.50000000000000 0.50000000000000 0.69783068028206 15.999 > 61 65 O 0.25000000000000 0.25000000000000 0.79933039649192 15.999 > 65 66 O 0.75000000000000 0.25000000000000 0.79933039649192 15.999 > 65 67 O 0.25000000000000 0.75000000000000 0.79933039649192 15.999 > 65 68 O 0.75000000000000 0.75000000000000 0.79933039649192 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.89354333155529 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.89354333155529 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.89354333155529 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.89354333155529 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.79619348317239 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.79619348317239 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.79619348317239 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.79619348317239 15.999 > 73 77 O 0.25000000000000 0.25000000000000 0.90085960604475 15.999 > 77 78 O 0.75000000000000 0.25000000000000 0.90085960604475 15.999 > 77 79 O 0.25000000000000 0.75000000000000 0.90085960604475 15.999 > 77 80 O 0.75000000000000 0.75000000000000 0.90085960604475 15.999 > 77 81 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 81 82 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 81 83 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 81 84 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 81 85 O 0.00000000000000 0.00000000000000 0.10645666844471 15.999 > 85 86 O 0.50000000000000 0.00000000000000 0.10645666844471 15.999 > 85 87 O 0.00000000000000 0.50000000000000 0.10645666844471 15.999 > 85 88 O 0.50000000000000 0.50000000000000 0.10645666844471 15.999 > 85 89 O 0.25000000000000 0.25000000000000 0.09914039395525 15.999 > 89 90 O 0.75000000000000 0.25000000000000 0.09914039395525 15.999 > 89 91 O 0.25000000000000 0.75000000000000 0.09914039395525 15.999 > 89 92 O 0.75000000000000 0.75000000000000 0.09914039395525 15.999 > 89 93 O 0.00000000000000 0.00000000000000 0.20380651682761 15.999 > 93 94 O 0.50000000000000 0.00000000000000 0.20380651682761 15.999 > 93 95 O 0.00000000000000 0.50000000000000 0.20380651682761 15.999 > 93 96 O 0.50000000000000 0.50000000000000 0.20380651682761 15.999 > 93 97 O 0.25000000000000 0.25000000000000 0.30086902862699 15.999 > 97 98 O 0.75000000000000 0.25000000000000 0.30086902862699 15.999 > 97 99 O 0.25000000000000 0.75000000000000 0.30086902862699 15.999 > 97 100 O 0.75000000000000 0.75000000000000 0.30086902862699 15.999 > 97 101 O 0.00000000000000 0.00000000000000 0.40099719723179 15.999 > 101 102 O 0.50000000000000 0.00000000000000 0.40099719723179 15.999 > 101 103 O 0.00000000000000 0.50000000000000 0.40099719723179 15.999 > 101 104 O 0.50000000000000 0.50000000000000 0.40099719723179 15.999 > 101 105 O 0.25000000000000 0.25000000000000 0.50000000000000 15.999 > 105 106 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 > 105 107 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 > 105 108 O 0.75000000000000 0.75000000000000 0.50000000000000 15.999 > 105 109 O 0.00000000000000 0.00000000000000 0.59900280276821 15.999 > 109 110 O 0.50000000000000 0.00000000000000 0.59900280276821 15.999 > 109 111 O 0.00000000000000 0.50000000000000 0.59900280276821 15.999 > 109 112 O 0.50000000000000 0.50000000000000 0.59900280276821 15.999 > 109 113 O 0.25000000000000 0.25000000000000 0.69913097137302 15.999 > 113 114 O 0.75000000000000 0.25000000000000 0.69913097137302 15.999 > 113 115 O 0.25000000000000 0.75000000000000 0.69913097137302 15.999 > 113 116 O 0.75000000000000 0.75000000000000 0.69913097137302 15.999 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8234206 0.0000000 0.0000000 0.0000000 4.8234206 0.0000000 0.0000000 0.0000000 4.7424408 -------------------------- Born effective charges -------------------------- 1 La 4.4685592 0.0000000 0.0000000 0.0000000 3.7542075 0.0000000 0.0000000 0.0000000 4.0496275 2 La 3.7542075 0.0000000 0.0000000 0.0000000 4.4685592 0.0000000 0.0000000 0.0000000 4.0496275 3 Th 5.6185187 0.0000000 0.0000000 0.0000000 5.2188637 0.0000000 0.0000000 0.0000000 5.2329542 4 Th 5.3347681 0.0000000 0.0000000 0.0000000 5.5133265 0.0000000 0.0000000 0.0000000 5.2777341 5 Th 5.4630824 0.0000000 0.0000000 0.0000000 5.3840621 0.0000000 0.0000000 0.0000000 5.2817270 6 Th 5.4002195 0.0000000 0.0000000 0.0000000 5.4454234 0.0000000 0.0000000 0.0000000 5.2833897 7 Th 5.4454234 0.0000000 0.0000000 0.0000000 5.4002195 0.0000000 0.0000000 0.0000000 5.2833897 8 Th 5.3840621 0.0000000 0.0000000 0.0000000 5.4630824 0.0000000 0.0000000 0.0000000 5.2817270 9 Th 5.5133265 0.0000000 0.0000000 0.0000000 5.3347681 0.0000000 0.0000000 0.0000000 5.2777341 10 Th 5.2188637 0.0000000 0.0000000 0.0000000 5.6185187 0.0000000 0.0000000 0.0000000 5.2329542 11 O -2.5856555 0.0000000 0.0000000 0.0000000 -2.8396316 0.0000000 0.0000000 0.0000000 -2.6285541 12 O -2.7623446 0.0000000 0.0000000 0.0000000 -2.6585605 0.0000000 0.0000000 0.0000000 -2.6371385 13 O -2.6928589 0.0000000 0.0000000 0.0000000 -2.7301026 0.0000000 0.0000000 0.0000000 -2.6387453 14 O -2.7108662 0.0000000 0.0000000 0.0000000 -2.7108662 0.0000000 0.0000000 0.0000000 -2.6384359 15 O -2.7301026 0.0000000 0.0000000 0.0000000 -2.6928589 0.0000000 0.0000000 0.0000000 -2.6387453 16 O -2.6585605 0.0000000 0.0000000 0.0000000 -2.7623446 0.0000000 0.0000000 0.0000000 -2.6371385 17 O -2.8396316 0.0000000 0.0000000 0.0000000 -2.5856555 0.0000000 0.0000000 0.0000000 -2.6285541 18 O -2.5568168 0.0000000 0.0000000 0.0000000 -3.0650659 0.0000000 0.0000000 0.0000000 -2.5956001 19 O -2.8348786 0.0000000 0.0000000 0.0000000 -2.5880410 0.0000000 0.0000000 0.0000000 -2.6323186 20 O -2.4409556 0.0000000 0.0000000 0.0000000 -3.1348117 0.0000000 0.0000000 0.0000000 -2.4161682 21 O -2.4442550 0.0000000 0.0000000 0.0000000 -2.4442550 0.0000000 0.0000000 0.0000000 -3.3239733 22 O -3.0650659 0.0000000 0.0000000 0.0000000 -2.5568168 0.0000000 0.0000000 0.0000000 -2.5956001 23 O -3.1348117 0.0000000 0.0000000 0.0000000 -2.4409556 0.0000000 0.0000000 0.0000000 -2.4161682 24 O -2.5880410 0.0000000 0.0000000 0.0000000 -2.8348786 0.0000000 0.0000000 0.0000000 -2.6323186 25 O -2.7630831 0.0000000 0.0000000 0.0000000 -2.6600626 0.0000000 0.0000000 0.0000000 -2.6378698 26 O -2.6921974 0.0000000 0.0000000 0.0000000 -2.7295166 0.0000000 0.0000000 0.0000000 -2.6385604 27 O -2.7113266 0.0000000 0.0000000 0.0000000 -2.7113266 0.0000000 0.0000000 0.0000000 -2.6385459 28 O -2.7295166 0.0000000 0.0000000 0.0000000 -2.6921974 0.0000000 0.0000000 0.0000000 -2.6385604 29 O -2.6600626 0.0000000 0.0000000 0.0000000 -2.7630831 0.0000000 0.0000000 0.0000000 -2.6378698 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000028 (xzx) 0.00000028 (xzx) 0.00000028 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:39:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:39:53]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-4m2 (115) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.937687050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.937687050000000 0.000000000000000 c 0.000000000000000 0.000000000000000 27.997172960000000 Atomic positions (fractional): 1 La 0.50000000000000 0.00000000000000 0.94307133032171 138.905 2 La 0.00000000000000 0.50000000000000 0.05692866967829 138.905 3 Th 0.50000000000000 0.00000000000000 0.15258480517950 232.038 4 Th 0.00000000000000 0.50000000000000 0.25189732636944 232.038 5 Th 0.50000000000000 0.00000000000000 0.35114474276950 232.038 6 Th 0.00000000000000 0.50000000000000 0.45038295689837 232.038 7 Th 0.50000000000000 0.00000000000000 0.54961704310163 232.038 8 Th 0.00000000000000 0.50000000000000 0.64885525723050 232.038 9 Th 0.50000000000000 0.00000000000000 0.74810267363056 232.038 10 Th 0.00000000000000 0.50000000000000 0.84741519482050 232.038 11 O 0.50000000000000 0.50000000000000 0.20066960350808 15.999 12 O 0.00000000000000 0.00000000000000 0.30216931971794 15.999 13 O 0.50000000000000 0.50000000000000 0.40053075807826 15.999 14 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 15 O 0.50000000000000 0.50000000000000 0.59946924192174 15.999 16 O 0.00000000000000 0.00000000000000 0.69783068028206 15.999 17 O 0.50000000000000 0.50000000000000 0.79933039649192 15.999 18 O 0.00000000000000 0.00000000000000 0.89354333155529 15.999 19 O 0.00000000000000 0.00000000000000 0.79619348317239 15.999 20 O 0.50000000000000 0.50000000000000 0.90085960604475 15.999 21 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 22 O 0.00000000000000 0.00000000000000 0.10645666844471 15.999 23 O 0.50000000000000 0.50000000000000 0.09914039395525 15.999 24 O 0.00000000000000 0.00000000000000 0.20380651682761 15.999 25 O 0.50000000000000 0.50000000000000 0.30086902862699 15.999 26 O 0.00000000000000 0.00000000000000 0.40099719723179 15.999 27 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 28 O 0.00000000000000 0.00000000000000 0.59900280276821 15.999 29 O 0.50000000000000 0.50000000000000 0.69913097137302 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 7.875374100000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.875374100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 27.997172960000000 Atomic positions (fractional): 1 La 0.25000000000000 0.00000000000000 0.94307133032171 138.905 > 1 2 La 0.75000000000000 0.00000000000000 0.94307133032171 138.905 > 1 3 La 0.25000000000000 0.50000000000000 0.94307133032171 138.905 > 1 4 La 0.75000000000000 0.50000000000000 0.94307133032171 138.905 > 1 5 La 0.00000000000000 0.25000000000000 0.05692866967829 138.905 > 5 6 La 0.50000000000000 0.25000000000000 0.05692866967829 138.905 > 5 7 La 0.00000000000000 0.75000000000000 0.05692866967829 138.905 > 5 8 La 0.50000000000000 0.75000000000000 0.05692866967829 138.905 > 5 9 Th 0.25000000000000 0.00000000000000 0.15258480517950 232.038 > 9 10 Th 0.75000000000000 0.00000000000000 0.15258480517950 232.038 > 9 11 Th 0.25000000000000 0.50000000000000 0.15258480517950 232.038 > 9 12 Th 0.75000000000000 0.50000000000000 0.15258480517950 232.038 > 9 13 Th 0.00000000000000 0.25000000000000 0.25189732636944 232.038 > 13 14 Th 0.50000000000000 0.25000000000000 0.25189732636944 232.038 > 13 15 Th 0.00000000000000 0.75000000000000 0.25189732636944 232.038 > 13 16 Th 0.50000000000000 0.75000000000000 0.25189732636944 232.038 > 13 17 Th 0.25000000000000 0.00000000000000 0.35114474276950 232.038 > 17 18 Th 0.75000000000000 0.00000000000000 0.35114474276950 232.038 > 17 19 Th 0.25000000000000 0.50000000000000 0.35114474276950 232.038 > 17 20 Th 0.75000000000000 0.50000000000000 0.35114474276950 232.038 > 17 21 Th 0.00000000000000 0.25000000000000 0.45038295689837 232.038 > 21 22 Th 0.50000000000000 0.25000000000000 0.45038295689837 232.038 > 21 23 Th 0.00000000000000 0.75000000000000 0.45038295689837 232.038 > 21 24 Th 0.50000000000000 0.75000000000000 0.45038295689837 232.038 > 21 25 Th 0.25000000000000 0.00000000000000 0.54961704310163 232.038 > 25 26 Th 0.75000000000000 0.00000000000000 0.54961704310163 232.038 > 25 27 Th 0.25000000000000 0.50000000000000 0.54961704310163 232.038 > 25 28 Th 0.75000000000000 0.50000000000000 0.54961704310163 232.038 > 25 29 Th 0.00000000000000 0.25000000000000 0.64885525723050 232.038 > 29 30 Th 0.50000000000000 0.25000000000000 0.64885525723050 232.038 > 29 31 Th 0.00000000000000 0.75000000000000 0.64885525723050 232.038 > 29 32 Th 0.50000000000000 0.75000000000000 0.64885525723050 232.038 > 29 33 Th 0.25000000000000 0.00000000000000 0.74810267363056 232.038 > 33 34 Th 0.75000000000000 0.00000000000000 0.74810267363056 232.038 > 33 35 Th 0.25000000000000 0.50000000000000 0.74810267363056 232.038 > 33 36 Th 0.75000000000000 0.50000000000000 0.74810267363056 232.038 > 33 37 Th 0.00000000000000 0.25000000000000 0.84741519482050 232.038 > 37 38 Th 0.50000000000000 0.25000000000000 0.84741519482050 232.038 > 37 39 Th 0.00000000000000 0.75000000000000 0.84741519482050 232.038 > 37 40 Th 0.50000000000000 0.75000000000000 0.84741519482050 232.038 > 37 41 O 0.25000000000000 0.25000000000000 0.20066960350808 15.999 > 41 42 O 0.75000000000000 0.25000000000000 0.20066960350808 15.999 > 41 43 O 0.25000000000000 0.75000000000000 0.20066960350808 15.999 > 41 44 O 0.75000000000000 0.75000000000000 0.20066960350808 15.999 > 41 45 O 0.00000000000000 0.00000000000000 0.30216931971794 15.999 > 45 46 O 0.50000000000000 0.00000000000000 0.30216931971794 15.999 > 45 47 O 0.00000000000000 0.50000000000000 0.30216931971794 15.999 > 45 48 O 0.50000000000000 0.50000000000000 0.30216931971794 15.999 > 45 49 O 0.25000000000000 0.25000000000000 0.40053075807826 15.999 > 49 50 O 0.75000000000000 0.25000000000000 0.40053075807826 15.999 > 49 51 O 0.25000000000000 0.75000000000000 0.40053075807826 15.999 > 49 52 O 0.75000000000000 0.75000000000000 0.40053075807826 15.999 > 49 53 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 53 54 O 0.50000000000000 0.00000000000000 0.50000000000000 15.999 > 53 55 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 53 56 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 53 57 O 0.25000000000000 0.25000000000000 0.59946924192174 15.999 > 57 58 O 0.75000000000000 0.25000000000000 0.59946924192174 15.999 > 57 59 O 0.25000000000000 0.75000000000000 0.59946924192174 15.999 > 57 60 O 0.75000000000000 0.75000000000000 0.59946924192174 15.999 > 57 61 O 0.00000000000000 0.00000000000000 0.69783068028206 15.999 > 61 62 O 0.50000000000000 0.00000000000000 0.69783068028206 15.999 > 61 63 O 0.00000000000000 0.50000000000000 0.69783068028206 15.999 > 61 64 O 0.50000000000000 0.50000000000000 0.69783068028206 15.999 > 61 65 O 0.25000000000000 0.25000000000000 0.79933039649192 15.999 > 65 66 O 0.75000000000000 0.25000000000000 0.79933039649192 15.999 > 65 67 O 0.25000000000000 0.75000000000000 0.79933039649192 15.999 > 65 68 O 0.75000000000000 0.75000000000000 0.79933039649192 15.999 > 65 69 O 0.00000000000000 0.00000000000000 0.89354333155529 15.999 > 69 70 O 0.50000000000000 0.00000000000000 0.89354333155529 15.999 > 69 71 O 0.00000000000000 0.50000000000000 0.89354333155529 15.999 > 69 72 O 0.50000000000000 0.50000000000000 0.89354333155529 15.999 > 69 73 O 0.00000000000000 0.00000000000000 0.79619348317239 15.999 > 73 74 O 0.50000000000000 0.00000000000000 0.79619348317239 15.999 > 73 75 O 0.00000000000000 0.50000000000000 0.79619348317239 15.999 > 73 76 O 0.50000000000000 0.50000000000000 0.79619348317239 15.999 > 73 77 O 0.25000000000000 0.25000000000000 0.90085960604475 15.999 > 77 78 O 0.75000000000000 0.25000000000000 0.90085960604475 15.999 > 77 79 O 0.25000000000000 0.75000000000000 0.90085960604475 15.999 > 77 80 O 0.75000000000000 0.75000000000000 0.90085960604475 15.999 > 77 81 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 81 82 O 0.50000000000000 0.00000000000000 0.00000000000000 15.999 > 81 83 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 81 84 O 0.50000000000000 0.50000000000000 0.00000000000000 15.999 > 81 85 O 0.00000000000000 0.00000000000000 0.10645666844471 15.999 > 85 86 O 0.50000000000000 0.00000000000000 0.10645666844471 15.999 > 85 87 O 0.00000000000000 0.50000000000000 0.10645666844471 15.999 > 85 88 O 0.50000000000000 0.50000000000000 0.10645666844471 15.999 > 85 89 O 0.25000000000000 0.25000000000000 0.09914039395525 15.999 > 89 90 O 0.75000000000000 0.25000000000000 0.09914039395525 15.999 > 89 91 O 0.25000000000000 0.75000000000000 0.09914039395525 15.999 > 89 92 O 0.75000000000000 0.75000000000000 0.09914039395525 15.999 > 89 93 O 0.00000000000000 0.00000000000000 0.20380651682761 15.999 > 93 94 O 0.50000000000000 0.00000000000000 0.20380651682761 15.999 > 93 95 O 0.00000000000000 0.50000000000000 0.20380651682761 15.999 > 93 96 O 0.50000000000000 0.50000000000000 0.20380651682761 15.999 > 93 97 O 0.25000000000000 0.25000000000000 0.30086902862699 15.999 > 97 98 O 0.75000000000000 0.25000000000000 0.30086902862699 15.999 > 97 99 O 0.25000000000000 0.75000000000000 0.30086902862699 15.999 > 97 100 O 0.75000000000000 0.75000000000000 0.30086902862699 15.999 > 97 101 O 0.00000000000000 0.00000000000000 0.40099719723179 15.999 > 101 102 O 0.50000000000000 0.00000000000000 0.40099719723179 15.999 > 101 103 O 0.00000000000000 0.50000000000000 0.40099719723179 15.999 > 101 104 O 0.50000000000000 0.50000000000000 0.40099719723179 15.999 > 101 105 O 0.25000000000000 0.25000000000000 0.50000000000000 15.999 > 105 106 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 > 105 107 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 > 105 108 O 0.75000000000000 0.75000000000000 0.50000000000000 15.999 > 105 109 O 0.00000000000000 0.00000000000000 0.59900280276821 15.999 > 109 110 O 0.50000000000000 0.00000000000000 0.59900280276821 15.999 > 109 111 O 0.00000000000000 0.50000000000000 0.59900280276821 15.999 > 109 112 O 0.50000000000000 0.50000000000000 0.59900280276821 15.999 > 109 113 O 0.25000000000000 0.25000000000000 0.69913097137302 15.999 > 113 114 O 0.75000000000000 0.25000000000000 0.69913097137302 15.999 > 113 115 O 0.25000000000000 0.75000000000000 0.69913097137302 15.999 > 113 116 O 0.75000000000000 0.75000000000000 0.69913097137302 15.999 > 113 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8234206 0.0000000 0.0000000 0.0000000 4.8234206 0.0000000 0.0000000 0.0000000 4.7424408 -------------------------- Born effective charges -------------------------- 1 La 4.4685592 0.0000000 0.0000000 0.0000000 3.7542075 0.0000000 0.0000000 0.0000000 4.0496275 2 La 3.7542075 0.0000000 0.0000000 0.0000000 4.4685592 0.0000000 0.0000000 0.0000000 4.0496275 3 Th 5.6185187 0.0000000 0.0000000 0.0000000 5.2188637 0.0000000 0.0000000 0.0000000 5.2329542 4 Th 5.3347681 0.0000000 0.0000000 0.0000000 5.5133265 0.0000000 0.0000000 0.0000000 5.2777341 5 Th 5.4630824 0.0000000 0.0000000 0.0000000 5.3840621 0.0000000 0.0000000 0.0000000 5.2817270 6 Th 5.4002195 0.0000000 0.0000000 0.0000000 5.4454234 0.0000000 0.0000000 0.0000000 5.2833897 7 Th 5.4454234 0.0000000 0.0000000 0.0000000 5.4002195 0.0000000 0.0000000 0.0000000 5.2833897 8 Th 5.3840621 0.0000000 0.0000000 0.0000000 5.4630824 0.0000000 0.0000000 0.0000000 5.2817270 9 Th 5.5133265 0.0000000 0.0000000 0.0000000 5.3347681 0.0000000 0.0000000 0.0000000 5.2777341 10 Th 5.2188637 0.0000000 0.0000000 0.0000000 5.6185187 0.0000000 0.0000000 0.0000000 5.2329542 11 O -2.5856555 0.0000000 0.0000000 0.0000000 -2.8396316 0.0000000 0.0000000 0.0000000 -2.6285541 12 O -2.7623446 0.0000000 0.0000000 0.0000000 -2.6585605 0.0000000 0.0000000 0.0000000 -2.6371385 13 O -2.6928589 0.0000000 0.0000000 0.0000000 -2.7301026 0.0000000 0.0000000 0.0000000 -2.6387453 14 O -2.7108662 0.0000000 0.0000000 0.0000000 -2.7108662 0.0000000 0.0000000 0.0000000 -2.6384359 15 O -2.7301026 0.0000000 0.0000000 0.0000000 -2.6928589 0.0000000 0.0000000 0.0000000 -2.6387453 16 O -2.6585605 0.0000000 0.0000000 0.0000000 -2.7623446 0.0000000 0.0000000 0.0000000 -2.6371385 17 O -2.8396316 0.0000000 0.0000000 0.0000000 -2.5856555 0.0000000 0.0000000 0.0000000 -2.6285541 18 O -2.5568168 0.0000000 0.0000000 0.0000000 -3.0650659 0.0000000 0.0000000 0.0000000 -2.5956001 19 O -2.8348786 0.0000000 0.0000000 0.0000000 -2.5880410 0.0000000 0.0000000 0.0000000 -2.6323186 20 O -2.4409556 0.0000000 0.0000000 0.0000000 -3.1348117 0.0000000 0.0000000 0.0000000 -2.4161682 21 O -2.4442550 0.0000000 0.0000000 0.0000000 -2.4442550 0.0000000 0.0000000 0.0000000 -3.3239733 22 O -3.0650659 0.0000000 0.0000000 0.0000000 -2.5568168 0.0000000 0.0000000 0.0000000 -2.5956001 23 O -3.1348117 0.0000000 0.0000000 0.0000000 -2.4409556 0.0000000 0.0000000 0.0000000 -2.4161682 24 O -2.5880410 0.0000000 0.0000000 0.0000000 -2.8348786 0.0000000 0.0000000 0.0000000 -2.6323186 25 O -2.7630831 0.0000000 0.0000000 0.0000000 -2.6600626 0.0000000 0.0000000 0.0000000 -2.6378698 26 O -2.6921974 0.0000000 0.0000000 0.0000000 -2.7295166 0.0000000 0.0000000 0.0000000 -2.6385604 27 O -2.7113266 0.0000000 0.0000000 0.0000000 -2.7113266 0.0000000 0.0000000 0.0000000 -2.6385459 28 O -2.7295166 0.0000000 0.0000000 0.0000000 -2.6921974 0.0000000 0.0000000 0.0000000 -2.6385604 29 O -2.6600626 0.0000000 0.0000000 0.0000000 -2.7630831 0.0000000 0.0000000 0.0000000 -2.6378698 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000028 (xzx) 0.00000028 (xzx) 0.00000028 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 13 13 2 ] 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: 0.55, Number of G-points: 275, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 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 0.833 ( -0.000 0.000 0.000) 0.000 0.833 ( 0.000 0.000 0.000) 0.000 1.081 ( -0.000 0.000 0.000) 0.000 1.081 ( -0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 2.060 ( -0.000 0.000 0.000) 0.000 2.060 ( 0.000 -0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.615 ( -0.000 0.000 0.000) 0.000 2.615 ( -0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 -0.000 0.000) 0.000 3.258 ( -0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.389 ( 0.000 0.000 0.000) 0.000 3.555 ( -0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.638 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 -0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.522 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 -0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.749 ( -0.000 0.000 0.000) 0.000 7.749 ( 0.000 -0.000 0.000) 0.000 7.865 ( 0.000 0.000 0.000) 0.000 8.010 ( -0.000 0.000 0.000) 0.000 8.010 ( -0.000 0.000 0.000) 0.000 8.145 ( -0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 -0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.592 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 -0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 9.710 ( 0.000 0.000 0.000) 0.000 10.011 ( -0.000 0.000 0.000) 0.000 10.011 ( 0.000 -0.000 0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 12.387 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.156 ( 0.000 0.000 0.000) 0.000 13.221 ( -0.000 0.000 0.000) 0.000 13.221 ( -0.000 0.000 0.000) 0.000 13.365 ( -0.000 0.000 0.000) 0.000 13.365 ( 0.000 0.000 0.000) 0.000 13.392 ( 0.000 0.000 0.000) 0.000 13.477 ( -0.000 0.000 0.000) 0.000 13.477 ( -0.000 0.000 0.000) 0.000 13.532 ( 0.000 -0.000 0.000) 0.000 13.532 ( -0.000 0.000 0.000) 0.000 13.706 ( 0.000 -0.000 0.000) 0.000 13.706 ( -0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.254 ( -0.000 0.000 0.000) 0.000 16.769 ( 0.000 0.000 0.000) 0.000 16.838 ( 0.000 0.000 0.000) 0.000 17.083 ( 0.000 0.000 0.000) 0.000 17.254 ( 0.000 0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 17.357 ( 0.000 0.000 0.000) 0.000 17.542 ( 0.000 0.000 0.000) 0.000 17.563 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 23.859 0.000 0.000) 23.859 0.664 ( 33.042 0.000 0.000) 33.042 1.052 ( 19.520 0.000 0.000) 19.520 1.123 ( 50.321 0.000 0.000) 50.321 1.217 ( 19.605 0.000 0.000) 19.605 1.244 ( 15.154 0.000 0.000) 15.154 1.252 ( 25.931 0.000 0.000) 25.931 1.835 ( 8.340 0.000 0.000) 8.340 1.909 ( 21.831 0.000 0.000) 21.831 1.950 ( 18.509 0.000 0.000) 18.509 2.119 ( 5.707 0.000 0.000) 5.707 2.255 ( 18.300 0.000 0.000) 18.300 2.330 ( 16.189 0.000 0.000) 16.189 2.640 ( 2.467 0.000 0.000) 2.467 2.763 ( 13.846 0.000 0.000) 13.846 2.924 ( 1.240 0.000 0.000) 1.240 3.024 ( 10.613 0.000 0.000) 10.613 3.254 ( -0.416 0.000 0.000) 0.416 3.380 ( -0.931 0.000 0.000) 0.931 3.383 ( 11.975 0.000 0.000) 11.975 3.491 ( 9.418 0.000 0.000) 9.418 3.546 ( -0.961 0.000 0.000) 0.961 3.622 ( 8.126 0.000 0.000) 8.126 3.794 ( 14.085 0.000 0.000) 14.085 4.215 ( 2.902 0.000 0.000) 2.902 5.090 ( -0.782 0.000 0.000) 0.782 5.273 ( -0.714 0.000 0.000) 0.714 5.452 ( -2.905 0.000 0.000) 2.905 5.760 ( 25.340 0.000 0.000) 25.340 5.970 ( -4.665 0.000 0.000) 4.665 6.188 ( -7.272 0.000 0.000) 7.272 6.381 ( -8.865 0.000 0.000) 8.865 6.561 ( 4.238 0.000 0.000) 4.238 7.271 ( 5.233 0.000 0.000) 5.233 7.711 ( 0.607 0.000 0.000) 0.607 7.770 ( 10.085 0.000 0.000) 10.085 7.836 ( 8.826 0.000 0.000) 8.826 8.056 ( 20.920 0.000 0.000) 20.920 8.099 ( 25.448 0.000 0.000) 25.448 8.108 ( 9.914 0.000 0.000) 9.914 8.244 ( 10.020 0.000 0.000) 10.020 8.283 ( 16.029 0.000 0.000) 16.029 8.333 ( 17.449 0.000 0.000) 17.449 8.334 ( 9.733 0.000 0.000) 9.733 8.466 ( 8.635 0.000 0.000) 8.635 8.517 ( 26.814 0.000 0.000) 26.814 8.572 ( 0.468 0.000 0.000) 0.468 8.592 ( 8.830 0.000 0.000) 8.830 8.737 ( 26.124 0.000 0.000) 26.124 8.898 ( 8.719 0.000 0.000) 8.719 8.944 ( 17.635 0.000 0.000) 17.635 9.605 ( -3.988 0.000 0.000) 3.988 9.880 ( 6.574 0.000 0.000) 6.574 10.073 ( 6.307 0.000 0.000) 6.307 10.665 ( 2.499 0.000 0.000) 2.499 11.631 ( 3.548 0.000 0.000) 3.548 12.393 ( -0.808 0.000 0.000) 0.808 12.690 ( -5.403 0.000 0.000) 5.403 12.714 ( -1.176 0.000 0.000) 1.176 12.899 ( -5.482 0.000 0.000) 5.482 12.950 ( 0.370 0.000 0.000) 0.370 13.081 ( -5.510 0.000 0.000) 5.510 13.119 ( -5.962 0.000 0.000) 5.962 13.168 ( -5.452 0.000 0.000) 5.452 13.180 ( 3.373 0.000 0.000) 3.373 13.272 ( 5.429 0.000 0.000) 5.429 13.313 ( -5.376 0.000 0.000) 5.376 13.350 ( -2.668 0.000 0.000) 2.668 13.388 ( 1.032 0.000 0.000) 1.032 13.423 ( -5.491 0.000 0.000) 5.491 13.440 ( -2.218 0.000 0.000) 2.218 13.479 ( -5.450 0.000 0.000) 5.450 13.522 ( 0.201 0.000 0.000) 0.201 13.654 ( -5.350 0.000 0.000) 5.350 13.704 ( 0.467 0.000 0.000) 0.467 14.020 ( -4.899 0.000 0.000) 4.899 14.207 ( -4.716 0.000 0.000) 4.716 14.513 ( 11.467 0.000 0.000) 11.467 16.481 ( -21.278 0.000 0.000) 21.278 16.741 ( -7.806 0.000 0.000) 7.806 16.898 ( -15.776 0.000 0.000) 15.776 17.022 ( -1.407 0.000 0.000) 1.407 17.063 ( -16.550 0.000 0.000) 16.550 17.101 ( -15.619 0.000 0.000) 15.619 17.243 ( -11.275 0.000 0.000) 11.275 17.449 ( -9.127 0.000 0.000) 9.127 17.452 ( -10.931 0.000 0.000) 10.931 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.15 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 25.821 0.000 0.000) 25.821 1.274 ( 29.037 0.000 0.000) 29.037 1.403 ( 11.751 0.000 0.000) 11.751 1.488 ( 23.274 0.000 0.000) 23.274 1.603 ( 20.180 0.000 0.000) 20.180 1.721 ( 18.135 0.000 0.000) 18.135 2.045 ( 12.381 0.000 0.000) 12.381 2.189 ( 47.142 0.000 0.000) 47.142 2.265 ( 8.751 0.000 0.000) 8.751 2.323 ( 20.199 0.000 0.000) 20.199 2.371 ( 20.402 0.000 0.000) 20.402 2.702 ( 3.651 0.000 0.000) 3.651 2.755 ( 31.480 0.000 0.000) 31.480 2.801 ( 29.484 0.000 0.000) 29.484 2.954 ( 1.683 0.000 0.000) 1.683 3.093 ( 19.160 0.000 0.000) 19.160 3.240 ( -1.131 0.000 0.000) 1.131 3.277 ( 14.281 0.000 0.000) 14.281 3.352 ( -1.943 0.000 0.000) 1.943 3.518 ( -1.927 0.000 0.000) 1.927 3.682 ( 17.173 0.000 0.000) 17.173 3.734 ( 15.516 0.000 0.000) 15.516 3.898 ( 18.531 0.000 0.000) 18.531 4.129 ( 18.405 0.000 0.000) 18.405 4.338 ( 10.534 0.000 0.000) 10.534 5.085 ( 0.740 0.000 0.000) 0.740 5.252 ( -1.410 0.000 0.000) 1.410 5.384 ( -3.586 0.000 0.000) 3.586 5.807 ( -9.590 0.000 0.000) 9.590 5.979 ( -11.993 0.000 0.000) 11.993 6.122 ( -14.167 0.000 0.000) 14.167 6.291 ( 19.395 0.000 0.000) 19.395 6.696 ( 9.747 0.000 0.000) 9.747 7.429 ( 10.553 0.000 0.000) 10.553 7.770 ( 5.221 0.000 0.000) 5.221 8.057 ( 19.015 0.000 0.000) 19.015 8.089 ( 16.938 0.000 0.000) 16.938 8.389 ( 18.522 0.000 0.000) 18.522 8.503 ( 18.687 0.000 0.000) 18.687 8.525 ( 18.353 0.000 0.000) 18.353 8.598 ( 6.060 0.000 0.000) 6.060 8.612 ( 18.369 0.000 0.000) 18.369 8.618 ( 24.343 0.000 0.000) 24.343 8.670 ( 25.123 0.000 0.000) 25.123 8.716 ( 16.878 0.000 0.000) 16.878 8.847 ( 17.101 0.000 0.000) 17.101 8.847 ( 32.389 0.000 0.000) 32.389 9.132 ( 12.593 0.000 0.000) 12.593 9.148 ( 16.638 0.000 0.000) 16.638 9.193 ( 37.057 0.000 0.000) 37.057 9.361 ( 19.399 0.000 0.000) 19.399 9.648 ( 11.706 0.000 0.000) 11.706 10.018 ( 8.210 0.000 0.000) 8.210 10.254 ( 12.051 0.000 0.000) 12.051 10.696 ( -0.095 0.000 0.000) 0.095 11.664 ( -1.289 0.000 0.000) 1.289 12.308 ( -7.726 0.000 0.000) 7.726 12.533 ( -10.625 0.000 0.000) 10.625 12.682 ( -2.528 0.000 0.000) 2.528 12.739 ( -10.760 0.000 0.000) 10.760 12.906 ( -10.297 0.000 0.000) 10.297 12.921 ( -10.863 0.000 0.000) 10.863 12.958 ( -5.780 0.000 0.000) 5.780 13.010 ( -10.717 0.000 0.000) 10.717 13.156 ( -10.571 0.000 0.000) 10.571 13.200 ( -1.587 0.000 0.000) 1.587 13.263 ( -10.869 0.000 0.000) 10.869 13.302 ( -2.732 0.000 0.000) 2.732 13.320 ( -10.770 0.000 0.000) 10.770 13.368 ( 0.188 0.000 0.000) 0.188 13.426 ( 5.918 0.000 0.000) 5.918 13.486 ( 7.705 0.000 0.000) 7.705 13.498 ( -10.569 0.000 0.000) 10.569 13.567 ( 4.813 0.000 0.000) 4.813 13.738 ( 3.112 0.000 0.000) 3.112 13.939 ( -5.034 0.000 0.000) 5.034 14.071 ( -9.188 0.000 0.000) 9.188 14.507 ( -11.845 0.000 0.000) 11.845 16.137 ( -12.993 0.000 0.000) 12.993 16.548 ( -16.475 0.000 0.000) 16.475 16.594 ( -19.675 0.000 0.000) 19.675 16.626 ( -9.934 0.000 0.000) 9.934 16.705 ( -22.079 0.000 0.000) 22.079 16.943 ( -18.353 0.000 0.000) 18.353 17.034 ( -0.638 0.000 0.000) 0.638 17.160 ( -18.061 0.000 0.000) 18.061 17.213 ( -14.328 0.000 0.000) 14.328 ======================= Grid point 3 (4/56) ======================= q-point: ( 0.23 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 27.630 0.000 0.000) 27.630 1.684 ( 17.115 0.000 0.000) 17.115 1.786 ( 23.029 0.000 0.000) 23.029 1.921 ( 20.664 0.000 0.000) 20.664 1.995 ( 19.375 0.000 0.000) 19.375 2.030 ( 15.239 0.000 0.000) 15.239 2.291 ( 12.249 0.000 0.000) 12.249 2.442 ( 9.061 0.000 0.000) 9.061 2.494 ( 5.719 0.000 0.000) 5.719 2.684 ( 11.071 0.000 0.000) 11.071 2.773 ( 3.438 0.000 0.000) 3.438 2.983 ( 1.169 0.000 0.000) 1.169 3.123 ( 36.937 0.000 0.000) 36.937 3.208 ( -2.152 0.000 0.000) 2.152 3.253 ( 18.060 0.000 0.000) 18.060 3.303 ( -3.066 0.000 0.000) 3.066 3.322 ( 19.236 0.000 0.000) 19.236 3.470 ( -2.940 0.000 0.000) 2.940 3.564 ( 26.717 0.000 0.000) 26.717 3.622 ( 26.404 0.000 0.000) 26.404 4.006 ( 15.066 0.000 0.000) 15.066 4.057 ( 15.860 0.000 0.000) 15.860 4.285 ( 19.902 0.000 0.000) 19.902 4.469 ( 16.716 0.000 0.000) 16.716 4.621 ( 16.521 0.000 0.000) 16.521 5.135 ( 4.353 0.000 0.000) 4.353 5.219 ( -1.906 0.000 0.000) 1.906 5.329 ( -1.688 0.000 0.000) 1.688 5.589 ( -12.340 0.000 0.000) 12.340 5.713 ( -15.930 0.000 0.000) 15.930 5.776 ( -17.418 0.000 0.000) 17.418 6.620 ( 13.846 0.000 0.000) 13.846 6.931 ( 13.347 0.000 0.000) 13.347 7.655 ( 11.720 0.000 0.000) 11.720 7.892 ( 6.650 0.000 0.000) 6.650 8.486 ( 23.461 0.000 0.000) 23.461 8.499 ( 25.754 0.000 0.000) 25.754 8.617 ( 2.270 0.000 0.000) 2.270 8.817 ( 24.888 0.000 0.000) 24.888 8.906 ( 12.965 0.000 0.000) 12.965 8.946 ( 24.390 0.000 0.000) 24.390 9.032 ( 24.107 0.000 0.000) 24.107 9.063 ( 20.019 0.000 0.000) 20.019 9.120 ( 24.172 0.000 0.000) 24.172 9.124 ( 19.657 0.000 0.000) 19.657 9.251 ( 23.899 0.000 0.000) 23.899 9.306 ( 13.556 0.000 0.000) 13.556 9.509 ( 25.266 0.000 0.000) 25.266 9.537 ( 22.797 0.000 0.000) 22.797 9.607 ( 14.274 0.000 0.000) 14.274 9.827 ( 20.591 0.000 0.000) 20.591 9.999 ( 22.456 0.000 0.000) 22.456 10.264 ( 17.587 0.000 0.000) 17.587 10.535 ( 16.435 0.000 0.000) 16.435 10.651 ( -4.203 0.000 0.000) 4.203 11.582 ( -5.714 0.000 0.000) 5.714 12.137 ( -8.314 0.000 0.000) 8.314 12.277 ( -15.395 0.000 0.000) 15.395 12.482 ( -15.477 0.000 0.000) 15.477 12.585 ( -9.081 0.000 0.000) 9.081 12.659 ( -15.838 0.000 0.000) 15.838 12.665 ( -12.272 0.000 0.000) 12.272 12.740 ( -17.020 0.000 0.000) 17.020 12.752 ( -15.514 0.000 0.000) 15.514 12.902 ( -15.319 0.000 0.000) 15.319 13.000 ( -15.984 0.000 0.000) 15.984 13.060 ( -15.772 0.000 0.000) 15.772 13.138 ( -5.268 0.000 0.000) 5.268 13.243 ( -15.479 0.000 0.000) 15.479 13.255 ( -3.489 0.000 0.000) 3.489 13.335 ( -4.623 0.000 0.000) 4.623 13.471 ( -1.547 0.000 0.000) 1.547 13.656 ( 4.928 0.000 0.000) 4.928 13.717 ( 9.122 0.000 0.000) 9.122 13.797 ( -5.555 0.000 0.000) 5.555 13.817 ( 2.057 0.000 0.000) 2.057 13.852 ( -13.093 0.000 0.000) 13.093 14.166 ( -18.841 0.000 0.000) 18.841 15.960 ( -4.829 0.000 0.000) 4.829 16.154 ( -17.653 0.000 0.000) 17.653 16.259 ( -15.434 0.000 0.000) 15.434 16.390 ( -5.419 0.000 0.000) 5.419 16.546 ( -12.705 0.000 0.000) 12.705 16.631 ( -3.384 0.000 0.000) 3.384 16.792 ( -18.140 0.000 0.000) 18.140 16.925 ( -14.153 0.000 0.000) 14.153 17.013 ( -1.529 0.000 0.000) 1.529 ======================= Grid point 4 (5/56) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( 25.458 0.000 0.000) 25.458 2.082 ( 24.582 0.000 0.000) 24.582 2.161 ( 15.189 0.000 0.000) 15.189 2.292 ( 17.328 0.000 0.000) 17.328 2.346 ( 16.323 0.000 0.000) 16.323 2.347 ( 17.509 0.000 0.000) 17.509 2.512 ( 10.256 0.000 0.000) 10.256 2.588 ( 5.202 0.000 0.000) 5.202 2.611 ( 8.149 0.000 0.000) 8.149 2.821 ( 4.238 0.000 0.000) 4.238 2.832 ( 2.537 0.000 0.000) 2.537 2.995 ( 0.003 0.000 0.000) 0.003 3.155 ( -3.330 0.000 0.000) 3.330 3.231 ( -4.315 0.000 0.000) 4.315 3.313 ( -0.988 0.000 0.000) 0.988 3.403 ( -4.012 0.000 0.000) 4.012 3.471 ( -0.105 0.000 0.000) 0.105 3.875 ( 27.589 0.000 0.000) 27.589 4.074 ( 19.949 0.000 0.000) 19.949 4.098 ( 14.299 0.000 0.000) 14.299 4.295 ( 18.836 0.000 0.000) 18.836 4.306 ( 11.082 0.000 0.000) 11.082 4.644 ( 16.273 0.000 0.000) 16.273 4.776 ( 13.268 0.000 0.000) 13.268 4.921 ( 13.651 0.000 0.000) 13.651 5.180 ( -1.962 0.000 0.000) 1.962 5.206 ( -2.177 0.000 0.000) 2.177 5.307 ( -13.293 0.000 0.000) 13.293 5.317 ( -5.450 0.000 0.000) 5.450 5.369 ( -7.676 0.000 0.000) 7.676 5.601 ( -1.453 0.000 0.000) 1.453 6.867 ( 11.849 0.000 0.000) 11.849 7.188 ( 12.619 0.000 0.000) 12.619 7.853 ( 7.537 0.000 0.000) 7.537 8.011 ( 5.628 0.000 0.000) 5.628 8.654 ( 1.814 0.000 0.000) 1.814 8.963 ( -3.850 0.000 0.000) 3.850 8.987 ( 27.343 0.000 0.000) 27.343 9.046 ( 29.715 0.000 0.000) 29.715 9.303 ( -0.745 0.000 0.000) 0.745 9.343 ( 28.420 0.000 0.000) 28.420 9.460 ( 27.759 0.000 0.000) 27.759 9.499 ( 24.338 0.000 0.000) 24.338 9.537 ( 27.203 0.000 0.000) 27.203 9.636 ( 15.097 0.000 0.000) 15.097 9.638 ( 28.053 0.000 0.000) 28.053 9.763 ( 28.044 0.000 0.000) 28.044 9.765 ( 9.765 0.000 0.000) 9.765 9.955 ( 14.722 0.000 0.000) 14.722 10.020 ( 26.033 0.000 0.000) 26.033 10.178 ( 18.663 0.000 0.000) 18.663 10.424 ( 14.514 0.000 0.000) 14.514 10.513 ( -1.286 0.000 0.000) 1.286 10.668 ( 17.562 0.000 0.000) 17.562 10.878 ( 17.876 0.000 0.000) 17.876 11.535 ( 3.218 0.000 0.000) 3.218 11.938 ( -19.084 0.000 0.000) 19.084 12.025 ( -3.403 0.000 0.000) 3.403 12.145 ( -18.512 0.000 0.000) 18.512 12.241 ( -24.010 0.000 0.000) 24.010 12.308 ( -19.920 0.000 0.000) 19.920 12.338 ( -23.102 0.000 0.000) 23.102 12.410 ( -19.185 0.000 0.000) 19.185 12.473 ( -10.232 0.000 0.000) 10.232 12.564 ( -19.085 0.000 0.000) 19.085 12.642 ( -20.572 0.000 0.000) 20.572 12.709 ( -20.078 0.000 0.000) 20.078 12.897 ( -19.776 0.000 0.000) 19.776 12.971 ( -13.540 0.000 0.000) 13.540 13.059 ( -14.312 0.000 0.000) 14.312 13.249 ( -7.216 0.000 0.000) 7.216 13.299 ( -11.159 0.000 0.000) 11.159 13.541 ( -12.775 0.000 0.000) 12.775 13.567 ( -15.829 0.000 0.000) 15.829 13.711 ( -4.737 0.000 0.000) 4.737 13.833 ( 0.139 0.000 0.000) 0.139 13.886 ( 2.210 0.000 0.000) 2.210 13.948 ( -2.314 0.000 0.000) 2.314 15.919 ( -0.318 0.000 0.000) 0.318 15.992 ( 0.528 0.000 0.000) 0.528 16.080 ( -1.641 0.000 0.000) 1.641 16.315 ( -6.229 0.000 0.000) 6.229 16.386 ( 2.394 0.000 0.000) 2.394 16.510 ( -9.280 0.000 0.000) 9.280 16.653 ( 1.787 0.000 0.000) 1.787 16.699 ( -7.999 0.000 0.000) 7.999 16.975 ( -2.422 0.000 0.000) 2.422 ======================= Grid point 5 (6/56) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 7.725 0.000 0.000) 7.725 2.416 ( 18.901 0.000 0.000) 18.901 2.596 ( 13.718 0.000 0.000) 13.718 2.596 ( 22.672 0.000 0.000) 22.672 2.627 ( 12.383 0.000 0.000) 12.383 2.694 ( 8.531 0.000 0.000) 8.531 2.733 ( 23.803 0.000 0.000) 23.803 2.747 ( 12.832 0.000 0.000) 12.832 2.758 ( 6.772 0.000 0.000) 6.772 2.872 ( 1.540 0.000 0.000) 1.540 2.895 ( 4.290 0.000 0.000) 4.290 2.981 ( -1.512 0.000 0.000) 1.512 3.077 ( -4.620 0.000 0.000) 4.620 3.133 ( -5.773 0.000 0.000) 5.773 3.219 ( -7.441 0.000 0.000) 7.441 3.315 ( -4.826 0.000 0.000) 4.826 3.398 ( -5.422 0.000 0.000) 5.422 4.003 ( -9.535 0.000 0.000) 9.535 4.047 ( -13.439 0.000 0.000) 13.439 4.429 ( 1.848 0.000 0.000) 1.848 4.546 ( 11.194 0.000 0.000) 11.194 4.690 ( 15.479 0.000 0.000) 15.479 4.798 ( 0.862 0.000 0.000) 0.862 4.918 ( 9.800 0.000 0.000) 9.800 5.088 ( 5.747 0.000 0.000) 5.747 5.146 ( -1.475 0.000 0.000) 1.475 5.148 ( 8.599 0.000 0.000) 8.599 5.250 ( -1.155 0.000 0.000) 1.155 5.271 ( 1.320 0.000 0.000) 1.320 5.361 ( 1.945 0.000 0.000) 1.945 5.658 ( 4.803 0.000 0.000) 4.803 7.082 ( 9.864 0.000 0.000) 9.864 7.413 ( 10.208 0.000 0.000) 10.208 7.905 ( -2.093 0.000 0.000) 2.093 8.144 ( 8.230 0.000 0.000) 8.230 8.702 ( 3.258 0.000 0.000) 3.258 8.820 ( -10.002 0.000 0.000) 10.002 9.229 ( -5.064 0.000 0.000) 5.064 9.531 ( 27.562 0.000 0.000) 27.562 9.637 ( 30.097 0.000 0.000) 30.097 9.683 ( -1.106 0.000 0.000) 1.106 9.902 ( 27.984 0.000 0.000) 27.984 9.983 ( 19.173 0.000 0.000) 19.173 10.004 ( 26.890 0.000 0.000) 26.890 10.062 ( 3.747 0.000 0.000) 3.747 10.079 ( 27.771 0.000 0.000) 27.771 10.177 ( 25.870 0.000 0.000) 25.870 10.183 ( 24.006 0.000 0.000) 24.006 10.284 ( -9.196 0.000 0.000) 9.196 10.315 ( 26.958 0.000 0.000) 26.958 10.519 ( 23.633 0.000 0.000) 23.633 10.558 ( 17.988 0.000 0.000) 17.988 10.815 ( 20.350 0.000 0.000) 20.350 11.055 ( 19.520 0.000 0.000) 19.520 11.175 ( 9.490 0.000 0.000) 9.490 11.553 ( -19.312 0.000 0.000) 19.312 11.653 ( -7.128 0.000 0.000) 7.128 11.744 ( -17.930 0.000 0.000) 17.930 11.799 ( -20.753 0.000 0.000) 20.753 11.805 ( -13.914 0.000 0.000) 13.914 11.902 ( -19.970 0.000 0.000) 19.970 11.966 ( -13.600 0.000 0.000) 13.600 12.025 ( -19.060 0.000 0.000) 19.060 12.171 ( -20.824 0.000 0.000) 20.824 12.206 ( -23.417 0.000 0.000) 23.417 12.254 ( -9.948 0.000 0.000) 9.948 12.287 ( -22.579 0.000 0.000) 22.579 12.478 ( -22.707 0.000 0.000) 22.707 12.616 ( -15.588 0.000 0.000) 15.588 12.891 ( -16.846 0.000 0.000) 16.846 12.905 ( -5.601 0.000 0.000) 5.601 13.233 ( -15.874 0.000 0.000) 15.874 13.251 ( -15.810 0.000 0.000) 15.810 13.288 ( 1.088 0.000 0.000) 1.088 13.561 ( -9.978 0.000 0.000) 9.978 13.759 ( -8.439 0.000 0.000) 8.439 13.879 ( -2.078 0.000 0.000) 2.078 13.950 ( 1.893 0.000 0.000) 1.893 15.976 ( 5.179 0.000 0.000) 5.179 16.075 ( 6.382 0.000 0.000) 6.382 16.115 ( 3.432 0.000 0.000) 3.432 16.305 ( 3.206 0.000 0.000) 3.206 16.411 ( 0.829 0.000 0.000) 0.829 16.473 ( 3.354 0.000 0.000) 3.354 16.629 ( 0.427 0.000 0.000) 0.427 16.674 ( 0.255 0.000 0.000) 0.255 16.917 ( -3.488 0.000 0.000) 3.488 ======================= Grid point 6 (7/56) ======================= q-point: ( 0.46 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 2.219 0.000 0.000) 2.219 2.695 ( 9.669 0.000 0.000) 9.669 2.828 ( 9.810 0.000 0.000) 9.810 2.830 ( 8.549 0.000 0.000) 8.549 2.840 ( 6.221 0.000 0.000) 6.221 2.866 ( 3.562 0.000 0.000) 3.562 2.875 ( 8.843 0.000 0.000) 8.843 2.894 ( 0.874 0.000 0.000) 0.874 2.935 ( -3.197 0.000 0.000) 3.197 2.935 ( -0.724 0.000 0.000) 0.724 2.973 ( -6.117 0.000 0.000) 6.117 3.003 ( -7.622 0.000 0.000) 7.622 3.051 ( -6.492 0.000 0.000) 6.492 3.121 ( 18.101 0.000 0.000) 18.101 3.228 ( -3.250 0.000 0.000) 3.250 3.266 ( 24.245 0.000 0.000) 24.245 3.394 ( 8.063 0.000 0.000) 8.063 3.691 ( -18.871 0.000 0.000) 18.871 3.737 ( -13.157 0.000 0.000) 13.157 4.018 ( -27.280 0.000 0.000) 27.280 4.746 ( 5.059 0.000 0.000) 5.059 4.920 ( 9.497 0.000 0.000) 9.497 5.022 ( 8.236 0.000 0.000) 8.236 5.027 ( 2.916 0.000 0.000) 2.916 5.126 ( -0.547 0.000 0.000) 0.547 5.175 ( -3.683 0.000 0.000) 3.683 5.196 ( 3.934 0.000 0.000) 3.934 5.287 ( 0.477 0.000 0.000) 0.477 5.317 ( 3.659 0.000 0.000) 3.659 5.388 ( 0.423 0.000 0.000) 0.423 5.731 ( 2.102 0.000 0.000) 2.102 7.228 ( 4.297 0.000 0.000) 4.297 7.577 ( 5.891 0.000 0.000) 5.891 7.823 ( -4.532 0.000 0.000) 4.532 8.315 ( 8.283 0.000 0.000) 8.283 8.609 ( -9.686 0.000 0.000) 9.686 8.769 ( 2.429 0.000 0.000) 2.429 9.145 ( -2.746 0.000 0.000) 2.746 9.681 ( 0.795 0.000 0.000) 0.795 9.912 ( -5.557 0.000 0.000) 5.557 10.006 ( 17.847 0.000 0.000) 17.847 10.132 ( -4.638 0.000 0.000) 4.638 10.176 ( 22.283 0.000 0.000) 22.283 10.361 ( 15.334 0.000 0.000) 15.334 10.457 ( 15.594 0.000 0.000) 15.594 10.498 ( 9.508 0.000 0.000) 9.508 10.537 ( 27.042 0.000 0.000) 27.042 10.636 ( 18.748 0.000 0.000) 18.748 10.666 ( 7.401 0.000 0.000) 7.401 10.677 ( 25.533 0.000 0.000) 25.533 10.841 ( 4.920 0.000 0.000) 4.920 10.922 ( 14.905 0.000 0.000) 14.905 11.144 ( -25.039 0.000 0.000) 25.039 11.152 ( -11.490 0.000 0.000) 11.490 11.209 ( -1.391 0.000 0.000) 1.391 11.245 ( -2.155 0.000 0.000) 2.155 11.286 ( 0.947 0.000 0.000) 0.947 11.379 ( 3.141 0.000 0.000) 3.141 11.595 ( -2.386 0.000 0.000) 2.386 11.598 ( -11.186 0.000 0.000) 11.186 11.676 ( -18.705 0.000 0.000) 18.705 11.689 ( -17.719 0.000 0.000) 17.719 11.769 ( -5.388 0.000 0.000) 5.388 11.789 ( -4.829 0.000 0.000) 4.829 11.840 ( -10.094 0.000 0.000) 10.094 11.881 ( -14.251 0.000 0.000) 14.251 12.038 ( -20.664 0.000 0.000) 20.664 12.220 ( 7.461 0.000 0.000) 7.461 12.388 ( -11.365 0.000 0.000) 11.365 12.700 ( 1.654 0.000 0.000) 1.654 12.785 ( -10.522 0.000 0.000) 10.522 12.998 ( -8.192 0.000 0.000) 8.192 13.068 ( 1.029 0.000 0.000) 1.029 13.235 ( -6.957 0.000 0.000) 6.957 13.468 ( 1.892 0.000 0.000) 1.892 13.574 ( -7.622 0.000 0.000) 7.622 13.782 ( -5.202 0.000 0.000) 5.202 14.016 ( 2.635 0.000 0.000) 2.635 16.066 ( 2.878 0.000 0.000) 2.878 16.178 ( 2.188 0.000 0.000) 2.188 16.180 ( 3.143 0.000 0.000) 3.143 16.379 ( 3.623 0.000 0.000) 3.623 16.426 ( -0.489 0.000 0.000) 0.489 16.553 ( 4.418 0.000 0.000) 4.418 16.628 ( -2.529 0.000 0.000) 2.529 16.710 ( 3.955 0.000 0.000) 3.955 16.841 ( -3.909 0.000 0.000) 3.909 ======================= Grid point 14 (8/56) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 16.434 16.434 0.000) 23.241 0.655 ( 16.372 16.372 0.000) 23.154 1.073 ( 10.781 10.781 0.000) 15.247 1.303 ( 10.372 10.372 0.000) 14.668 1.321 ( 6.956 6.956 0.000) 9.837 1.560 ( 19.664 19.664 0.000) 27.809 1.740 ( 42.588 42.588 0.000) 60.229 1.940 ( 9.288 9.288 0.000) 13.135 2.078 ( 14.399 14.399 0.000) 20.364 2.127 ( 15.958 15.958 0.000) 22.569 2.245 ( 8.932 8.932 0.000) 12.632 2.392 ( 18.293 18.293 0.000) 25.871 2.492 ( 16.624 16.624 0.000) 23.510 2.778 ( 7.458 7.458 0.000) 10.547 2.783 ( 7.766 7.766 0.000) 10.983 2.997 ( 4.533 4.533 0.000) 6.410 3.079 ( 7.811 7.811 0.000) 11.046 3.336 ( 3.027 3.027 0.000) 4.280 3.337 ( 1.655 1.655 0.000) 2.340 3.485 ( 3.770 3.770 0.000) 5.332 3.512 ( 8.001 8.001 0.000) 11.315 3.670 ( 7.634 7.634 0.000) 10.796 3.688 ( 8.734 8.734 0.000) 12.351 3.873 ( 9.842 9.842 0.000) 13.918 4.241 ( 3.186 3.186 0.000) 4.506 5.083 ( -0.635 -0.635 0.000) 0.898 5.414 ( -1.938 -1.938 0.000) 2.741 5.506 ( 8.254 8.254 0.000) 11.672 5.793 ( 9.828 9.828 0.000) 13.899 5.932 ( -1.657 -1.657 0.000) 2.343 6.112 ( -7.091 -7.091 0.000) 10.028 6.302 ( -7.995 -7.995 0.000) 11.307 6.596 ( 3.823 3.823 0.000) 5.406 7.322 ( 5.307 5.307 0.000) 7.506 7.708 ( 2.114 2.114 0.000) 2.990 7.926 ( 6.771 6.771 0.000) 9.576 7.932 ( 7.080 7.080 0.000) 10.013 8.084 ( 7.394 7.394 0.000) 10.457 8.096 ( 4.876 4.876 0.000) 6.896 8.146 ( 1.061 1.061 0.000) 1.500 8.155 ( 2.395 2.395 0.000) 3.387 8.156 ( -1.649 -1.649 0.000) 2.332 8.217 ( 0.550 0.550 0.000) 0.777 8.321 ( -1.052 -1.052 0.000) 1.487 8.571 ( 0.755 0.755 0.000) 1.068 8.720 ( 22.149 22.149 0.000) 31.323 8.818 ( 23.892 23.892 0.000) 33.789 8.947 ( 26.100 26.100 0.000) 36.911 9.032 ( 20.183 20.183 0.000) 28.543 9.116 ( 18.637 18.637 0.000) 26.357 9.152 ( 22.809 22.809 0.000) 32.257 9.609 ( 0.675 0.675 0.000) 0.955 9.980 ( 5.774 5.774 0.000) 8.166 10.005 ( 3.393 3.393 0.000) 4.798 10.719 ( 3.604 3.604 0.000) 5.097 11.677 ( 3.466 3.466 0.000) 4.901 12.434 ( 1.009 1.009 0.000) 1.427 12.658 ( -4.841 -4.841 0.000) 6.846 12.662 ( -4.691 -4.691 0.000) 6.635 12.849 ( -6.640 -6.640 0.000) 9.390 12.849 ( -6.621 -6.621 0.000) 9.363 12.988 ( -8.823 -8.823 0.000) 12.477 13.047 ( -8.334 -8.334 0.000) 11.786 13.088 ( -9.465 -9.465 0.000) 13.385 13.111 ( -8.510 -8.510 0.000) 12.035 13.173 ( -9.000 -9.000 0.000) 12.728 13.303 ( -1.708 -1.708 0.000) 2.415 13.415 ( 9.044 9.044 0.000) 12.791 13.476 ( 3.484 3.484 0.000) 4.927 13.487 ( 6.773 6.773 0.000) 9.579 13.490 ( 2.228 2.228 0.000) 3.150 13.526 ( 2.169 2.169 0.000) 3.067 13.541 ( 3.382 3.382 0.000) 4.783 13.684 ( 0.777 0.777 0.000) 1.098 13.688 ( 1.207 1.207 0.000) 1.707 13.938 ( -5.281 -5.281 0.000) 7.469 14.080 ( -4.082 -4.082 0.000) 5.773 14.830 ( 13.953 13.953 0.000) 19.733 16.290 ( -16.368 -16.368 0.000) 23.147 16.644 ( -7.128 -7.128 0.000) 10.081 16.752 ( -13.543 -13.543 0.000) 19.152 16.885 ( -16.850 -16.850 0.000) 23.829 16.941 ( -14.038 -14.038 0.000) 19.853 17.014 ( -1.300 -1.300 0.000) 1.839 17.129 ( -11.187 -11.187 0.000) 15.821 17.345 ( -10.652 -10.652 0.000) 15.065 17.360 ( -8.765 -8.765 0.000) 12.396 ======================= Grid point 15 (9/56) ======================= q-point: ( 0.15 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 23.541 9.130 0.000) 25.249 1.142 ( 29.771 -4.214 0.000) 30.068 1.412 ( 19.166 1.347 0.000) 19.214 1.494 ( 14.004 5.922 0.000) 15.204 1.627 ( 19.592 3.925 0.000) 19.982 1.872 ( 13.465 9.771 0.000) 16.637 2.157 ( 12.487 10.445 0.000) 16.279 2.350 ( 9.067 7.491 0.000) 11.761 2.428 ( 14.666 11.610 0.000) 18.705 2.450 ( 15.836 9.026 0.000) 18.228 2.610 ( 41.558 30.227 0.000) 51.389 2.796 ( 6.285 9.520 0.000) 11.407 2.885 ( 19.070 8.045 0.000) 20.698 2.976 ( 25.493 18.592 0.000) 31.552 3.058 ( 14.273 12.368 0.000) 18.886 3.156 ( 17.462 6.441 0.000) 18.612 3.266 ( 5.737 3.886 0.000) 6.929 3.352 ( 5.889 5.735 0.000) 8.220 3.390 ( 0.846 3.550 0.000) 3.649 3.570 ( 4.270 5.805 0.000) 7.207 3.767 ( 16.835 7.175 0.000) 18.300 3.848 ( 12.084 12.569 0.000) 17.436 3.965 ( 18.451 7.345 0.000) 19.859 4.170 ( 17.817 4.680 0.000) 18.421 4.364 ( 10.179 2.947 0.000) 10.597 5.076 ( 0.410 -0.824 0.000) 0.920 5.355 ( -3.245 -2.442 0.000) 4.061 5.498 ( -3.817 21.080 0.000) 21.423 5.757 ( -9.043 -4.978 0.000) 10.323 5.919 ( -11.905 -6.039 0.000) 13.349 6.061 ( -14.266 -6.406 0.000) 15.638 6.273 ( 21.311 -1.093 0.000) 21.339 6.720 ( 9.050 2.610 0.000) 9.419 7.475 ( 10.009 4.650 0.000) 11.036 7.792 ( 5.838 2.377 0.000) 6.303 8.011 ( 9.237 -2.659 0.000) 9.613 8.117 ( 9.586 0.096 0.000) 9.587 8.197 ( 8.698 -9.135 0.000) 12.614 8.223 ( 8.886 -14.552 0.000) 17.050 8.268 ( 12.268 -16.513 0.000) 20.571 8.323 ( 17.434 -17.919 0.000) 25.000 8.375 ( 14.222 -16.154 0.000) 21.522 8.444 ( 14.200 -16.136 0.000) 21.495 8.517 ( 21.367 -12.255 0.000) 24.632 8.615 ( 4.151 3.634 0.000) 5.517 9.196 ( 19.120 21.534 0.000) 28.797 9.226 ( 12.257 11.072 0.000) 16.517 9.346 ( 28.771 29.490 0.000) 41.200 9.470 ( 16.274 16.074 0.000) 22.874 9.556 ( 21.964 22.763 0.000) 31.632 9.680 ( 29.232 31.479 0.000) 42.959 9.796 ( 21.031 15.404 0.000) 26.069 10.115 ( 11.897 10.314 0.000) 15.746 10.208 ( 13.826 3.790 0.000) 14.336 10.770 ( 1.003 4.815 0.000) 4.918 11.704 ( -1.863 2.361 0.000) 3.008 12.351 ( -9.657 -0.604 0.000) 9.676 12.460 ( -12.992 -6.841 0.000) 14.683 12.591 ( -4.499 -11.587 0.000) 12.429 12.612 ( -14.627 -10.966 0.000) 18.281 12.732 ( -9.369 -16.145 0.000) 18.666 12.773 ( -15.803 -16.867 0.000) 23.113 12.780 ( -16.794 -15.547 0.000) 22.886 12.827 ( -13.575 -14.461 0.000) 19.834 12.915 ( -11.654 -16.914 0.000) 20.540 12.980 ( -9.528 -13.032 0.000) 16.144 13.239 ( -5.976 6.770 0.000) 9.030 13.456 ( -4.246 10.440 0.000) 11.270 13.462 ( -4.158 5.891 0.000) 7.210 13.553 ( 1.574 9.371 0.000) 9.502 13.595 ( 1.175 9.215 0.000) 9.289 13.640 ( 2.820 12.350 0.000) 12.668 13.653 ( 11.673 14.036 0.000) 18.256 13.696 ( 8.478 12.082 0.000) 14.760 13.797 ( 6.645 5.168 0.000) 8.418 13.847 ( -5.684 -4.357 0.000) 7.162 14.000 ( -4.687 -1.797 0.000) 5.020 14.870 ( -9.285 24.405 0.000) 26.111 16.007 ( -10.579 -12.614 0.000) 16.463 16.457 ( -15.604 -9.063 0.000) 18.046 16.470 ( -21.631 -12.174 0.000) 24.822 16.547 ( -2.101 -5.611 0.000) 5.992 16.582 ( -20.109 -11.829 0.000) 23.330 16.835 ( -17.871 -10.598 0.000) 20.778 17.003 ( -0.408 -2.201 0.000) 2.238 17.061 ( -17.478 -9.786 0.000) 20.032 17.130 ( -13.981 -8.144 0.000) 16.180 ======================= Grid point 16 (10/56) ======================= q-point: ( 0.23 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 26.120 6.015 0.000) 26.804 1.674 ( 22.009 -2.039 0.000) 22.103 1.757 ( 21.226 0.584 0.000) 21.234 1.870 ( 19.956 -0.105 0.000) 19.956 2.018 ( 19.466 3.425 0.000) 19.765 2.145 ( 15.270 7.190 0.000) 16.878 2.406 ( 12.367 10.510 0.000) 16.229 2.507 ( 7.626 5.553 0.000) 9.433 2.620 ( 7.624 12.891 0.000) 14.977 2.714 ( 8.905 3.268 0.000) 9.485 2.880 ( 3.988 9.028 0.000) 9.870 3.010 ( 2.193 2.623 0.000) 3.419 3.239 ( 0.696 3.952 0.000) 4.013 3.286 ( 3.594 6.293 0.000) 7.247 3.377 ( 5.231 9.678 0.000) 11.001 3.424 ( 11.884 8.763 0.000) 14.766 3.435 ( 29.503 19.517 0.000) 35.374 3.548 ( 11.250 11.499 0.000) 16.087 3.709 ( 28.080 13.434 0.000) 31.129 3.750 ( 21.448 12.833 0.000) 24.994 4.100 ( 15.676 8.341 0.000) 17.757 4.127 ( 14.815 8.598 0.000) 17.129 4.351 ( 19.917 6.959 0.000) 21.098 4.495 ( 15.689 2.974 0.000) 15.968 4.639 ( 16.038 2.017 0.000) 16.164 5.117 ( 3.918 -1.751 0.000) 4.292 5.301 ( -2.091 -2.586 0.000) 3.326 5.429 ( -2.778 19.143 0.000) 19.344 5.547 ( -11.971 -4.029 0.000) 12.631 5.663 ( -14.658 -5.236 0.000) 15.565 5.718 ( -17.958 -5.822 0.000) 18.878 6.626 ( 14.567 0.605 0.000) 14.579 6.944 ( 13.102 1.375 0.000) 13.174 7.688 ( 10.992 3.245 0.000) 11.461 7.916 ( 6.392 2.345 0.000) 6.808 8.295 ( 19.298 -16.260 0.000) 25.235 8.362 ( 14.990 -8.978 0.000) 17.473 8.461 ( 17.592 -24.101 0.000) 29.838 8.495 ( 18.618 -26.204 0.000) 32.144 8.595 ( 20.644 -25.480 0.000) 32.793 8.678 ( 5.970 -1.145 0.000) 6.079 8.703 ( 20.073 -23.307 0.000) 30.759 8.729 ( 19.186 -21.232 0.000) 28.616 8.792 ( 20.670 -24.226 0.000) 31.846 8.943 ( 18.642 -13.992 0.000) 23.309 9.281 ( 4.327 -2.014 0.000) 4.773 9.584 ( 4.657 1.588 0.000) 4.920 9.762 ( 28.879 30.930 0.000) 42.316 9.877 ( 6.725 10.764 0.000) 12.692 9.940 ( 22.157 22.481 0.000) 31.564 10.128 ( 28.742 32.330 0.000) 43.259 10.336 ( 25.721 27.876 0.000) 37.930 10.461 ( 16.370 12.165 0.000) 20.396 10.503 ( 16.969 12.661 0.000) 21.172 10.765 ( 0.887 6.401 0.000) 6.462 11.617 ( -5.195 0.200 0.000) 5.199 12.099 ( -15.565 -11.470 0.000) 19.335 12.158 ( -17.622 -12.672 0.000) 21.705 12.275 ( -19.571 -16.656 0.000) 25.700 12.335 ( -24.359 -25.343 0.000) 35.152 12.462 ( -16.879 -17.494 0.000) 24.310 12.485 ( -11.706 -17.595 0.000) 21.133 12.510 ( -11.698 -18.260 0.000) 21.685 12.537 ( -14.668 -18.497 0.000) 23.606 12.650 ( -15.379 -20.200 0.000) 25.388 12.784 ( -11.737 -10.463 0.000) 15.724 13.080 ( -9.738 10.521 0.000) 14.336 13.301 ( -11.900 10.266 0.000) 15.717 13.341 ( -8.104 12.032 0.000) 14.506 13.518 ( -5.045 11.928 0.000) 12.951 13.547 ( -6.579 13.332 0.000) 14.867 13.655 ( -12.305 -1.352 0.000) 12.379 13.682 ( -1.752 13.619 0.000) 13.731 13.827 ( 0.196 11.197 0.000) 11.199 13.874 ( 2.028 10.894 0.000) 11.081 13.915 ( 7.884 14.251 0.000) 16.287 13.955 ( 6.295 11.469 0.000) 13.083 14.606 ( -13.476 30.164 0.000) 33.037 15.882 ( -2.259 -7.413 0.000) 7.749 16.062 ( -15.250 -8.823 0.000) 17.619 16.172 ( -14.889 -8.574 0.000) 17.181 16.348 ( -2.412 -3.409 0.000) 4.176 16.468 ( -14.734 -7.974 0.000) 16.753 16.581 ( 1.478 -3.913 0.000) 4.183 16.709 ( -17.055 -8.161 0.000) 18.907 16.851 ( -13.565 -7.242 0.000) 15.377 16.991 ( -0.934 -1.651 0.000) 1.897 ======================= Grid point 17 (11/56) ======================= q-point: ( 0.31 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.009 ( 23.115 2.758 0.000) 23.279 2.094 ( 24.855 1.970 0.000) 24.933 2.179 ( 18.749 1.344 0.000) 18.797 2.233 ( 17.974 -1.924 0.000) 18.077 2.361 ( 15.422 3.686 0.000) 15.856 2.470 ( 17.403 7.275 0.000) 18.862 2.629 ( 10.792 8.189 0.000) 13.547 2.657 ( 7.532 9.513 0.000) 12.134 2.756 ( 6.771 13.435 0.000) 15.045 2.826 ( 4.014 2.924 0.000) 4.966 2.943 ( 2.140 7.185 0.000) 7.497 3.032 ( 0.387 3.923 0.000) 3.942 3.192 ( -3.554 3.579 0.000) 5.043 3.257 ( -3.886 3.086 0.000) 4.963 3.377 ( -2.832 6.688 0.000) 7.263 3.518 ( 0.091 11.568 0.000) 11.569 3.619 ( -0.856 13.855 0.000) 13.882 4.036 ( 20.756 14.292 0.000) 25.200 4.184 ( 13.535 10.453 0.000) 17.102 4.222 ( 21.067 13.403 0.000) 24.970 4.371 ( 11.879 7.207 0.000) 13.894 4.384 ( 16.994 8.815 0.000) 19.144 4.711 ( 16.291 6.829 0.000) 17.664 4.786 ( 12.690 1.249 0.000) 12.751 4.925 ( 12.851 0.757 0.000) 12.873 5.182 ( -3.468 -2.409 0.000) 4.222 5.270 ( -8.454 -2.828 0.000) 8.914 5.282 ( -7.741 -2.729 0.000) 8.208 5.334 ( -7.391 -2.347 0.000) 7.755 5.380 ( -2.887 15.053 0.000) 15.328 5.564 ( 0.959 -2.755 0.000) 2.917 6.877 ( 11.785 1.058 0.000) 11.832 7.200 ( 12.635 1.197 0.000) 12.692 7.875 ( 7.301 2.079 0.000) 7.591 8.028 ( 5.184 1.690 0.000) 5.453 8.612 ( 6.960 -6.544 0.000) 9.553 8.738 ( 25.290 -25.409 0.000) 35.850 8.821 ( 12.971 -11.092 0.000) 17.067 8.870 ( 22.744 -31.513 0.000) 38.863 8.924 ( 22.422 -28.411 0.000) 36.193 8.962 ( 6.441 -9.944 0.000) 11.848 9.053 ( 25.207 -30.175 0.000) 39.318 9.156 ( 19.302 -25.399 0.000) 31.901 9.186 ( 19.879 -25.843 0.000) 32.605 9.332 ( 24.591 -23.541 0.000) 34.043 9.432 ( 12.628 -10.312 0.000) 16.303 9.705 ( 5.895 -3.203 0.000) 6.709 9.848 ( 1.289 -11.906 0.000) 11.975 10.335 ( 27.976 31.440 0.000) 42.085 10.441 ( 13.521 21.330 0.000) 25.255 10.475 ( 2.493 9.729 0.000) 10.043 10.570 ( 3.485 9.885 0.000) 10.481 10.680 ( 19.701 22.818 0.000) 30.147 10.882 ( 22.341 22.228 0.000) 31.515 11.027 ( 20.039 17.876 0.000) 26.854 11.578 ( 0.132 -5.596 0.000) 5.598 11.712 ( -23.444 -21.090 0.000) 31.535 11.774 ( -23.690 -28.369 0.000) 36.959 11.808 ( -25.145 -30.824 0.000) 39.779 11.926 ( -17.738 -16.590 0.000) 24.288 12.095 ( -20.794 -20.625 0.000) 29.288 12.137 ( -18.784 -14.099 0.000) 23.487 12.180 ( -19.036 -20.843 0.000) 28.228 12.297 ( -18.598 -18.291 0.000) 26.086 12.440 ( -3.538 -19.779 0.000) 20.093 12.526 ( -13.230 -2.917 0.000) 13.548 12.876 ( -11.479 15.154 0.000) 19.011 13.012 ( -17.139 12.795 0.000) 21.388 13.118 ( -14.518 13.309 0.000) 19.695 13.286 ( -16.760 3.972 0.000) 17.225 13.357 ( -17.710 12.839 0.000) 21.874 13.417 ( -6.024 12.912 0.000) 14.249 13.522 ( -11.898 13.054 0.000) 17.663 13.692 ( -11.219 11.715 0.000) 16.220 13.884 ( -4.037 13.243 0.000) 13.845 14.014 ( -0.327 13.886 0.000) 13.890 14.072 ( 3.284 14.772 0.000) 15.133 14.437 ( -3.551 34.829 0.000) 35.010 15.871 ( 0.989 -4.318 0.000) 4.430 15.950 ( 2.412 -3.698 0.000) 4.415 16.029 ( 0.494 -4.578 0.000) 4.605 16.262 ( -4.090 -4.876 0.000) 6.365 16.374 ( 3.153 -0.772 0.000) 3.246 16.456 ( -7.230 -4.988 0.000) 8.784 16.639 ( 1.716 -1.565 0.000) 2.323 16.644 ( -5.609 -4.783 0.000) 7.371 16.964 ( -1.933 -0.669 0.000) 2.045 ======================= Grid point 18 (12/56) ======================= q-point: ( 0.38 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( 16.458 1.621 0.000) 16.538 2.476 ( 13.358 4.595 0.000) 14.126 2.567 ( 15.494 -0.895 0.000) 15.520 2.604 ( 20.594 1.282 0.000) 20.634 2.631 ( 14.226 2.693 0.000) 14.479 2.753 ( 6.989 7.008 0.000) 9.898 2.834 ( 17.033 7.456 0.000) 18.593 2.877 ( 15.067 10.289 0.000) 18.245 2.899 ( 7.385 11.029 0.000) 13.273 2.910 ( 5.704 7.337 0.000) 9.294 2.964 ( 0.330 4.842 0.000) 4.853 3.034 ( 0.226 5.045 0.000) 5.050 3.107 ( -5.158 3.335 0.000) 6.143 3.161 ( -5.858 2.970 0.000) 6.568 3.287 ( -5.899 9.006 0.000) 10.766 3.455 ( -5.729 13.603 0.000) 14.760 3.550 ( -4.615 13.516 0.000) 14.282 4.090 ( -10.199 8.098 0.000) 13.023 4.116 ( -14.666 6.912 0.000) 16.213 4.480 ( -10.967 3.084 0.000) 11.393 4.647 ( 15.081 10.948 0.000) 18.636 4.756 ( 14.866 6.801 0.000) 16.348 4.824 ( 5.508 3.180 0.000) 6.360 4.982 ( 10.759 6.565 0.000) 12.604 5.093 ( 6.655 0.751 0.000) 6.698 5.139 ( 8.420 0.004 0.000) 8.420 5.237 ( -0.046 -1.202 0.000) 1.203 5.257 ( 1.950 -1.122 0.000) 2.249 5.327 ( 1.073 9.646 0.000) 9.705 5.349 ( 0.617 4.571 0.000) 4.612 5.655 ( 5.742 0.807 0.000) 5.798 7.087 ( 9.318 0.432 0.000) 9.328 7.428 ( 10.561 1.535 0.000) 10.672 7.930 ( -1.815 2.464 0.000) 3.060 8.149 ( 7.687 0.459 0.000) 7.701 8.690 ( 3.182 -1.659 0.000) 3.588 8.811 ( -9.011 -1.289 0.000) 9.102 9.157 ( 3.286 -10.487 0.000) 10.990 9.266 ( 27.229 -29.301 0.000) 39.999 9.318 ( 16.682 -17.524 0.000) 24.195 9.370 ( 27.219 -37.450 0.000) 46.297 9.446 ( 27.204 -36.224 0.000) 45.301 9.574 ( 25.990 -33.946 0.000) 42.753 9.623 ( 13.285 -21.756 0.000) 25.491 9.715 ( 6.475 -10.230 0.000) 12.107 9.839 ( 24.092 -24.921 0.000) 34.663 9.864 ( 28.631 -25.283 0.000) 38.197 10.024 ( 9.177 -12.900 0.000) 15.831 10.282 ( -10.886 -3.504 0.000) 11.436 10.424 ( -0.661 -9.956 0.000) 9.978 10.855 ( 9.860 12.866 0.000) 16.209 10.912 ( 20.407 24.571 0.000) 31.940 11.033 ( 10.384 8.716 0.000) 13.557 11.183 ( -27.172 -32.938 0.000) 42.699 11.205 ( -10.679 -13.210 0.000) 16.987 11.285 ( 3.890 2.556 0.000) 4.654 11.332 ( 0.984 2.264 0.000) 2.469 11.371 ( -14.220 -19.783 0.000) 24.363 11.482 ( -17.696 -25.748 0.000) 31.243 11.653 ( -15.669 -19.621 0.000) 25.110 11.679 ( -15.886 -15.956 0.000) 22.516 11.829 ( -8.184 -6.398 0.000) 10.388 11.845 ( -9.295 -10.362 0.000) 13.920 11.968 ( -12.461 -8.888 0.000) 15.306 12.303 ( -6.011 -2.541 0.000) 6.526 12.430 ( -0.882 0.342 0.000) 0.946 12.566 ( -20.496 19.259 0.000) 28.125 12.665 ( -17.892 14.936 0.000) 23.307 12.809 ( -16.415 13.550 0.000) 21.285 12.951 ( -15.856 6.138 0.000) 17.003 13.110 ( -5.525 15.635 0.000) 16.583 13.140 ( -17.892 14.849 0.000) 23.251 13.406 ( -15.739 12.484 0.000) 20.089 13.438 ( 0.145 12.672 0.000) 12.673 13.717 ( -11.169 11.941 0.000) 16.350 13.907 ( -9.572 12.177 0.000) 15.489 14.048 ( -5.205 12.786 0.000) 13.805 14.437 ( 2.370 36.252 0.000) 36.329 15.954 ( 6.294 -1.552 0.000) 6.483 16.062 ( 7.462 -0.804 0.000) 7.505 16.094 ( 4.573 -1.630 0.000) 4.855 16.287 ( 4.486 -1.261 0.000) 4.659 16.402 ( 2.079 -0.568 0.000) 2.156 16.466 ( 4.062 -0.257 0.000) 4.070 16.603 ( 2.156 -2.162 0.000) 3.053 16.674 ( 0.599 0.371 0.000) 0.705 16.913 ( -3.305 -0.009 0.000) 3.305 ======================= Grid point 19 (13/56) ======================= q-point: ( 0.46 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 3.899 9.142 0.000) 9.939 2.713 ( 8.555 2.640 0.000) 8.953 2.815 ( 9.678 0.348 0.000) 9.684 2.830 ( 9.669 0.688 0.000) 9.694 2.861 ( 6.909 1.954 0.000) 7.180 2.887 ( 4.886 4.267 0.000) 6.487 2.920 ( -2.467 1.747 0.000) 3.023 2.969 ( -1.462 4.394 0.000) 4.631 2.990 ( -6.104 2.462 0.000) 6.581 3.015 ( -4.494 4.694 0.000) 6.498 3.036 ( 1.026 9.392 0.000) 9.448 3.083 ( 3.722 13.122 0.000) 13.640 3.171 ( -3.442 12.884 0.000) 13.336 3.224 ( 16.103 10.386 0.000) 19.162 3.330 ( 19.329 7.436 0.000) 20.710 3.354 ( 6.942 9.753 0.000) 11.971 3.519 ( 2.040 11.969 0.000) 12.142 3.749 ( -18.523 4.826 0.000) 19.141 3.807 ( -16.398 7.224 0.000) 17.919 4.013 ( -26.439 -0.491 0.000) 26.444 4.825 ( 4.009 7.396 0.000) 8.413 4.987 ( 8.613 6.800 0.000) 10.974 5.060 ( 9.911 4.379 0.000) 10.835 5.106 ( 1.472 8.344 0.000) 8.472 5.188 ( -2.604 2.142 0.000) 3.372 5.210 ( 4.520 1.559 0.000) 4.781 5.280 ( 0.536 -0.577 0.000) 0.788 5.292 ( 2.230 4.138 0.000) 4.701 5.339 ( 1.062 12.263 0.000) 12.309 5.374 ( 0.621 -1.329 0.000) 1.467 5.739 ( 2.325 1.603 0.000) 2.824 7.220 ( 3.756 -0.776 0.000) 3.835 7.603 ( 6.651 2.679 0.000) 7.170 7.849 ( -4.783 2.609 0.000) 5.448 8.314 ( 8.128 -0.208 0.000) 8.130 8.605 ( -9.579 -0.510 0.000) 9.593 8.754 ( 2.209 -1.653 0.000) 2.759 9.123 ( -2.157 -2.685 0.000) 3.444 9.614 ( 3.525 -9.735 0.000) 10.353 9.689 ( 9.143 -21.687 0.000) 23.536 9.816 ( 23.455 -28.270 0.000) 36.733 9.884 ( 5.884 -13.922 0.000) 15.114 9.918 ( 26.209 -37.004 0.000) 45.345 9.974 ( 23.013 -34.875 0.000) 41.784 10.000 ( 13.324 -25.941 0.000) 29.162 10.132 ( 1.864 -19.251 0.000) 19.341 10.194 ( 5.666 -22.940 0.000) 23.629 10.246 ( 8.241 -25.092 0.000) 26.411 10.351 ( 4.742 -28.269 0.000) 28.664 10.456 ( -2.129 -30.028 0.000) 30.104 10.592 ( -11.376 -31.244 0.000) 33.251 10.713 ( -9.577 -32.444 0.000) 33.828 10.840 ( -6.555 -25.136 0.000) 25.976 10.970 ( -12.925 -15.148 0.000) 19.913 11.024 ( -23.907 -22.278 0.000) 32.678 11.111 ( -9.293 -19.914 0.000) 21.976 11.128 ( -12.081 -24.263 0.000) 27.104 11.253 ( -14.690 -24.322 0.000) 28.414 11.395 ( -2.547 -7.667 0.000) 8.079 11.579 ( 23.699 23.668 0.000) 33.494 11.726 ( 13.731 9.738 0.000) 16.833 11.830 ( 10.571 11.045 0.000) 15.288 11.922 ( 5.215 13.192 0.000) 14.185 11.951 ( 10.105 14.569 0.000) 17.731 12.089 ( -24.500 24.119 0.000) 34.380 12.184 ( -9.838 17.789 0.000) 20.328 12.242 ( -19.073 20.367 0.000) 27.903 12.448 ( -10.361 -14.074 0.000) 17.476 12.580 ( 3.150 16.447 0.000) 16.746 12.723 ( -10.686 9.268 0.000) 14.145 12.920 ( -0.945 16.066 0.000) 16.093 12.991 ( -9.137 16.612 0.000) 18.959 13.229 ( -0.172 13.020 0.000) 13.022 13.380 ( -6.614 11.779 0.000) 13.509 13.602 ( 1.044 11.048 0.000) 11.097 13.714 ( -7.529 11.776 0.000) 13.977 13.920 ( -5.737 11.446 0.000) 12.803 14.486 ( 1.710 35.712 0.000) 35.753 16.058 ( 3.221 -0.147 0.000) 3.224 16.172 ( 2.546 -0.093 0.000) 2.548 16.180 ( 3.491 0.488 0.000) 3.525 16.380 ( 4.159 0.525 0.000) 4.192 16.432 ( -0.244 1.044 0.000) 1.072 16.555 ( 4.887 0.593 0.000) 4.923 16.633 ( -2.239 0.930 0.000) 2.425 16.709 ( 4.633 0.226 0.000) 4.639 16.836 ( -4.328 -0.117 0.000) 4.330 ======================= Grid point 28 (14/56) ======================= q-point: ( 0.15 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 16.634 16.634 0.000) 23.525 1.315 ( 17.337 17.337 0.000) 24.518 1.563 ( 13.138 13.138 0.000) 18.579 1.670 ( 11.856 11.856 0.000) 16.767 1.806 ( 14.573 14.573 0.000) 20.609 2.054 ( 9.683 9.683 0.000) 13.694 2.394 ( 12.324 12.324 0.000) 17.429 2.497 ( 7.728 7.728 0.000) 10.929 2.634 ( 10.501 10.501 0.000) 14.851 2.700 ( 13.580 13.580 0.000) 19.205 2.953 ( 5.148 5.148 0.000) 7.280 2.997 ( 6.699 6.699 0.000) 9.474 3.263 ( 15.197 15.197 0.000) 21.492 3.314 ( 23.553 23.553 0.000) 33.309 3.351 ( 5.360 5.360 0.000) 7.580 3.396 ( 16.627 16.627 0.000) 23.513 3.472 ( 11.328 11.328 0.000) 16.020 3.486 ( 17.807 17.807 0.000) 25.183 3.539 ( 21.398 21.398 0.000) 30.261 3.755 ( 12.835 12.835 0.000) 18.151 3.981 ( 14.761 14.761 0.000) 20.875 4.153 ( 15.508 15.508 0.000) 21.931 4.183 ( 15.132 15.132 0.000) 21.400 4.346 ( 13.826 13.826 0.000) 19.552 4.467 ( 8.130 8.130 0.000) 11.498 5.058 ( -0.726 -0.726 0.000) 1.027 5.291 ( -3.655 -3.655 0.000) 5.170 5.609 ( -9.042 -9.042 0.000) 12.788 5.748 ( -10.963 -10.963 0.000) 15.504 5.864 ( 8.800 8.800 0.000) 12.446 5.868 ( -13.330 -13.330 0.000) 18.852 6.342 ( 11.843 11.843 0.000) 16.749 6.807 ( 6.577 6.577 0.000) 9.302 7.601 ( 7.751 7.751 0.000) 10.961 7.865 ( 4.944 4.944 0.000) 6.992 7.985 ( -2.692 -2.692 0.000) 3.807 8.015 ( -2.762 -2.762 0.000) 3.906 8.021 ( -3.695 -3.695 0.000) 5.226 8.060 ( -1.809 -1.809 0.000) 2.558 8.112 ( -1.316 -1.316 0.000) 1.861 8.186 ( -1.468 -1.468 0.000) 2.076 8.241 ( -2.300 -2.300 0.000) 3.253 8.280 ( 0.721 0.721 0.000) 1.020 8.310 ( 0.848 0.848 0.000) 1.199 8.705 ( 4.645 4.645 0.000) 6.569 9.253 ( 0.089 0.089 0.000) 0.125 9.570 ( 2.409 2.409 0.000) 3.407 9.786 ( 30.340 30.340 0.000) 42.908 9.925 ( 0.859 0.859 0.000) 1.214 9.954 ( 31.562 31.562 0.000) 44.636 10.176 ( 32.860 32.860 0.000) 46.471 10.357 ( 31.845 31.845 0.000) 45.036 10.425 ( 13.811 13.811 0.000) 19.532 10.486 ( 24.632 24.632 0.000) 34.835 10.835 ( 1.669 1.669 0.000) 2.361 11.668 ( -7.794 -7.794 0.000) 11.022 12.138 ( -20.088 -20.088 0.000) 28.409 12.249 ( -17.487 -17.487 0.000) 24.730 12.257 ( -18.387 -18.387 0.000) 26.002 12.309 ( -27.313 -27.313 0.000) 38.626 12.351 ( -17.611 -17.611 0.000) 24.906 12.380 ( -17.421 -17.421 0.000) 24.637 12.450 ( -18.332 -18.332 0.000) 25.925 12.508 ( -18.080 -18.080 0.000) 25.568 12.607 ( -13.737 -13.737 0.000) 19.427 12.827 ( -3.456 -3.456 0.000) 4.887 13.344 ( 0.984 0.984 0.000) 1.391 13.516 ( 0.294 0.294 0.000) 0.416 13.623 ( 2.180 2.180 0.000) 3.082 13.628 ( 2.266 2.266 0.000) 3.205 13.733 ( 3.633 3.633 0.000) 5.138 13.836 ( 3.159 3.159 0.000) 4.467 13.838 ( 5.084 5.084 0.000) 7.189 13.937 ( 7.354 7.354 0.000) 10.400 13.949 ( 13.034 13.034 0.000) 18.432 13.989 ( 13.777 13.777 0.000) 19.484 14.013 ( 7.938 7.938 0.000) 11.226 15.215 ( 7.361 7.361 0.000) 10.410 15.735 ( -10.548 -10.548 0.000) 14.917 16.141 ( -18.014 -18.014 0.000) 25.475 16.248 ( -15.742 -15.742 0.000) 22.262 16.341 ( -7.346 -7.346 0.000) 10.389 16.472 ( -1.438 -1.438 0.000) 2.033 16.564 ( -15.329 -15.329 0.000) 21.679 16.803 ( -15.621 -15.621 0.000) 22.092 16.916 ( -12.914 -12.914 0.000) 18.263 16.975 ( -0.608 -0.608 0.000) 0.860 ======================= Grid point 29 (15/56) ======================= q-point: ( 0.23 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 23.310 7.590 0.000) 24.515 1.715 ( 23.012 10.128 0.000) 25.142 1.854 ( 16.354 8.715 0.000) 18.531 1.969 ( 17.439 9.792 0.000) 20.001 2.146 ( 18.666 9.909 0.000) 21.133 2.280 ( 13.977 7.152 0.000) 15.700 2.586 ( 7.922 6.609 0.000) 10.317 2.701 ( 12.621 13.997 0.000) 18.847 2.805 ( 6.493 5.725 0.000) 8.657 2.933 ( 9.967 17.054 0.000) 19.753 3.025 ( 2.936 4.838 0.000) 5.659 3.095 ( 3.322 5.673 0.000) 6.574 3.314 ( -0.682 3.294 0.000) 3.364 3.381 ( -0.886 3.469 0.000) 3.581 3.557 ( 3.324 10.167 0.000) 10.696 3.655 ( 12.077 14.555 0.000) 18.913 3.869 ( 13.619 21.138 0.000) 25.146 3.941 ( 26.459 23.619 0.000) 35.467 4.080 ( 28.330 24.391 0.000) 37.383 4.093 ( 22.656 21.471 0.000) 31.213 4.302 ( 16.650 13.317 0.000) 21.320 4.412 ( 12.649 18.428 0.000) 22.352 4.541 ( 18.575 10.628 0.000) 21.401 4.616 ( 12.831 11.026 0.000) 16.917 4.714 ( 15.348 6.254 0.000) 16.573 5.071 ( 2.746 -2.810 0.000) 3.929 5.228 ( -2.567 -4.609 0.000) 5.276 5.413 ( -10.522 -8.862 0.000) 13.756 5.508 ( -12.763 -10.387 0.000) 16.455 5.549 ( -18.026 -11.425 0.000) 21.341 5.882 ( -2.622 23.108 0.000) 23.256 6.652 ( 15.410 2.759 0.000) 15.655 6.984 ( 11.386 2.598 0.000) 11.678 7.754 ( 7.654 0.935 0.000) 7.710 7.967 ( 5.161 -0.873 0.000) 5.234 8.007 ( 6.380 -9.960 0.000) 11.828 8.046 ( 6.746 -12.544 0.000) 14.243 8.071 ( 8.726 -15.409 0.000) 17.708 8.160 ( 10.483 -17.149 0.000) 20.099 8.223 ( 4.170 -8.725 0.000) 9.670 8.257 ( 11.424 -14.223 0.000) 18.243 8.312 ( 12.698 -16.075 0.000) 20.485 8.356 ( 13.105 -17.509 0.000) 21.871 8.542 ( 14.685 -19.047 0.000) 24.051 8.775 ( 2.467 1.068 0.000) 2.688 9.243 ( -0.795 -0.963 0.000) 1.249 9.595 ( -0.082 0.163 0.000) 0.183 9.860 ( -6.356 -3.678 0.000) 7.344 10.382 ( 29.959 31.312 0.000) 43.336 10.552 ( 28.603 31.213 0.000) 42.337 10.568 ( -0.292 2.701 0.000) 2.717 10.740 ( 6.499 13.831 0.000) 15.282 10.772 ( 16.703 20.357 0.000) 26.332 10.933 ( 22.067 24.831 0.000) 33.220 11.024 ( 23.588 23.778 0.000) 33.493 11.426 ( -13.939 -21.009 0.000) 25.213 11.658 ( -27.279 -31.641 0.000) 41.777 11.719 ( -32.288 -34.691 0.000) 47.391 11.771 ( -25.906 -20.704 0.000) 33.163 11.943 ( -19.437 -21.838 0.000) 29.235 12.010 ( -13.359 -27.706 0.000) 30.758 12.028 ( -20.160 -24.674 0.000) 31.863 12.077 ( -19.589 -24.212 0.000) 31.144 12.144 ( -18.867 -21.808 0.000) 28.836 12.362 ( -12.018 -7.452 0.000) 14.141 12.747 ( -5.930 1.459 0.000) 6.107 13.275 ( -6.989 5.874 0.000) 9.129 13.454 ( -7.113 4.649 0.000) 8.498 13.544 ( -6.507 7.831 0.000) 10.181 13.628 ( -6.569 2.364 0.000) 6.981 13.730 ( -3.034 6.986 0.000) 7.616 13.793 ( -6.183 6.066 0.000) 8.661 13.881 ( -1.991 6.518 0.000) 6.815 14.012 ( 0.534 8.990 0.000) 9.006 14.137 ( 5.600 12.685 0.000) 13.866 14.225 ( 8.801 14.808 0.000) 17.226 14.253 ( 10.858 16.239 0.000) 19.534 15.160 ( -6.839 25.006 0.000) 25.924 15.713 ( 4.850 -8.312 0.000) 9.624 15.863 ( -7.652 -9.436 0.000) 12.149 15.963 ( -9.686 -10.924 0.000) 14.599 16.264 ( -11.666 -11.222 0.000) 16.187 16.301 ( 2.130 -0.457 0.000) 2.178 16.504 ( -13.104 -11.402 0.000) 17.371 16.531 ( 4.921 -0.329 0.000) 4.932 16.668 ( -11.194 -10.371 0.000) 15.260 16.973 ( 0.179 0.210 0.000) 0.276 ======================= Grid point 30 (16/56) ======================= q-point: ( 0.31 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 20.582 5.672 0.000) 21.349 2.181 ( 24.528 7.058 0.000) 25.523 2.222 ( 20.733 4.848 0.000) 21.293 2.294 ( 15.563 7.636 0.000) 17.335 2.483 ( 14.618 8.746 0.000) 17.034 2.601 ( 18.265 6.155 0.000) 19.274 2.764 ( 11.245 6.776 0.000) 13.129 2.886 ( 3.435 6.669 0.000) 7.501 2.944 ( 10.018 12.439 0.000) 15.972 3.061 ( 2.779 7.474 0.000) 7.974 3.104 ( 5.684 16.785 0.000) 17.721 3.136 ( 1.693 7.286 0.000) 7.480 3.276 ( -2.966 4.673 0.000) 5.534 3.333 ( -3.797 3.955 0.000) 5.483 3.597 ( 0.726 14.613 0.000) 14.631 3.809 ( 3.017 17.452 0.000) 17.711 3.971 ( -0.911 21.168 0.000) 21.188 4.340 ( 10.208 15.717 0.000) 18.741 4.452 ( 5.698 15.501 0.000) 16.515 4.569 ( 17.092 15.506 0.000) 23.078 4.614 ( 17.672 21.881 0.000) 28.126 4.639 ( 14.526 16.540 0.000) 22.014 4.837 ( 10.914 4.536 0.000) 11.819 4.885 ( 12.923 8.094 0.000) 15.248 4.985 ( 12.859 7.885 0.000) 15.084 5.108 ( -10.728 -5.519 0.000) 12.064 5.176 ( -3.738 -5.771 0.000) 6.876 5.196 ( -2.379 -5.759 0.000) 6.231 5.244 ( -2.958 -5.855 0.000) 6.560 5.422 ( 3.127 -6.986 0.000) 7.654 5.850 ( 0.120 25.236 0.000) 25.237 6.907 ( 11.247 2.044 0.000) 11.431 7.227 ( 12.714 0.824 0.000) 12.740 7.902 ( 7.140 -2.742 0.000) 7.648 8.062 ( 4.223 -0.273 0.000) 4.232 8.225 ( 15.020 -22.328 0.000) 26.910 8.246 ( 13.196 -25.698 0.000) 28.889 8.321 ( 15.798 -25.241 0.000) 29.777 8.382 ( 13.898 -16.886 0.000) 21.870 8.454 ( 18.864 -27.970 0.000) 33.737 8.589 ( 20.176 -26.264 0.000) 33.118 8.629 ( 17.402 -22.367 0.000) 28.339 8.699 ( 19.599 -24.829 0.000) 31.633 8.758 ( 4.106 -4.119 0.000) 5.816 8.891 ( 13.392 -21.752 0.000) 25.544 9.242 ( 2.275 -6.396 0.000) 6.788 9.561 ( -2.871 -5.997 0.000) 6.649 9.716 ( -6.888 -4.665 0.000) 8.319 10.397 ( -13.999 -10.511 0.000) 17.506 10.551 ( -17.822 -5.004 0.000) 18.511 10.909 ( 11.445 13.382 0.000) 17.608 10.982 ( -12.128 -13.975 0.000) 18.504 10.995 ( -1.218 1.132 0.000) 1.663 11.069 ( -19.581 -23.142 0.000) 30.314 11.122 ( -13.494 -24.535 0.000) 28.001 11.196 ( -0.098 -2.474 0.000) 2.476 11.275 ( -3.646 -5.341 0.000) 6.467 11.398 ( 6.099 11.231 0.000) 12.780 11.471 ( 0.541 4.175 0.000) 4.210 11.564 ( -14.507 -18.868 0.000) 23.800 11.614 ( -18.273 -23.441 0.000) 29.722 11.737 ( -8.248 -17.430 0.000) 19.283 11.779 ( -13.014 -20.092 0.000) 23.938 11.819 ( -8.985 -31.203 0.000) 32.471 12.151 ( -7.812 -1.416 0.000) 7.939 12.609 ( -6.798 4.034 0.000) 7.905 13.108 ( -9.575 7.057 0.000) 11.894 13.247 ( -13.610 9.882 0.000) 16.819 13.369 ( -11.494 10.236 0.000) 15.391 13.429 ( -11.543 9.517 0.000) 14.960 13.595 ( -12.069 8.721 0.000) 14.890 13.648 ( -6.348 8.675 0.000) 10.749 13.752 ( -9.607 8.632 0.000) 12.915 13.903 ( -11.588 7.472 0.000) 13.788 14.126 ( -6.948 9.052 0.000) 11.412 14.284 ( -3.415 11.193 0.000) 11.703 14.365 ( 0.109 12.633 0.000) 12.633 15.093 ( 0.254 31.203 0.000) 31.204 15.797 ( 5.850 -1.495 0.000) 6.038 15.891 ( 7.492 -0.837 0.000) 7.538 15.948 ( 6.202 -2.098 0.000) 6.547 16.169 ( 2.450 -3.047 0.000) 3.910 16.350 ( -1.378 -3.546 0.000) 3.805 16.388 ( 5.447 2.067 0.000) 5.825 16.529 ( -2.188 -5.004 0.000) 5.461 16.638 ( 5.060 1.616 0.000) 5.312 16.971 ( -0.683 1.845 0.000) 1.967 ======================= Grid point 31 (17/56) ======================= q-point: ( 0.38 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.463 ( 17.625 5.087 0.000) 18.344 2.570 ( 13.761 5.816 0.000) 14.939 2.599 ( 16.966 4.468 0.000) 17.545 2.674 ( 22.011 5.373 0.000) 22.657 2.720 ( 11.647 6.631 0.000) 13.403 2.899 ( 4.833 7.370 0.000) 8.814 2.984 ( 15.000 6.811 0.000) 16.473 3.004 ( 4.393 5.526 0.000) 7.060 3.061 ( 8.179 6.824 0.000) 10.652 3.122 ( 1.228 5.684 0.000) 5.815 3.154 ( 0.899 7.872 0.000) 7.924 3.235 ( -3.493 7.160 0.000) 7.966 3.239 ( 2.506 14.012 0.000) 14.234 3.249 ( 6.753 18.014 0.000) 19.239 3.592 ( -0.931 19.414 0.000) 19.436 3.778 ( -5.204 18.265 0.000) 18.992 3.885 ( -6.465 20.359 0.000) 21.361 4.269 ( -15.915 9.622 0.000) 18.598 4.299 ( -14.336 10.013 0.000) 17.487 4.497 ( -23.522 -1.783 0.000) 23.589 4.884 ( 7.179 9.281 0.000) 11.734 4.950 ( 14.030 12.538 0.000) 18.816 4.999 ( 15.325 16.565 0.000) 22.567 5.094 ( 9.722 2.768 0.000) 10.108 5.127 ( 9.251 1.146 0.000) 9.321 5.207 ( 6.354 2.817 0.000) 6.950 5.229 ( 5.602 2.744 0.000) 6.238 5.240 ( 6.514 5.928 0.000) 8.807 5.290 ( 3.948 -2.341 0.000) 4.590 5.535 ( 5.896 1.711 0.000) 6.139 5.888 ( 3.143 24.448 0.000) 24.649 7.097 ( 7.926 0.685 0.000) 7.956 7.467 ( 11.734 1.600 0.000) 11.842 7.988 ( 0.112 2.374 0.000) 2.376 8.148 ( 5.909 -1.887 0.000) 6.202 8.506 ( 12.387 -26.316 0.000) 29.086 8.590 ( 20.777 -33.163 0.000) 39.134 8.678 ( 19.395 -30.837 0.000) 36.429 8.728 ( 17.594 -24.533 0.000) 30.190 8.759 ( 2.970 -10.489 0.000) 10.901 8.835 ( 11.520 -22.074 0.000) 24.899 8.895 ( 15.638 -27.380 0.000) 31.531 9.006 ( 16.978 -25.170 0.000) 30.361 9.042 ( 18.635 -26.725 0.000) 32.581 9.283 ( 26.156 -30.695 0.000) 40.328 9.404 ( 13.473 -18.689 0.000) 23.039 9.524 ( -1.290 -17.222 0.000) 17.270 9.675 ( 5.578 -12.877 0.000) 14.033 10.084 ( -16.895 -18.539 0.000) 25.083 10.153 ( -21.192 -22.142 0.000) 30.649 10.361 ( -33.853 -44.113 0.000) 55.606 10.409 ( -31.362 -42.813 0.000) 53.071 10.573 ( -25.130 -32.430 0.000) 41.027 10.863 ( -16.647 -19.697 0.000) 25.789 11.004 ( -22.755 -23.458 0.000) 32.681 11.034 ( -25.886 -28.098 0.000) 38.205 11.071 ( -19.956 -19.057 0.000) 27.594 11.201 ( -17.529 -17.070 0.000) 24.468 11.347 ( -10.802 -12.369 0.000) 16.422 11.560 ( 20.196 16.950 0.000) 26.367 11.656 ( 4.023 -9.561 0.000) 10.373 11.719 ( 15.983 9.389 0.000) 18.537 11.886 ( 11.738 9.433 0.000) 15.058 11.962 ( 19.240 18.468 0.000) 26.669 12.142 ( 6.038 1.005 0.000) 6.121 12.512 ( -3.680 4.576 0.000) 5.872 12.908 ( -11.371 11.353 0.000) 16.068 12.940 ( -16.913 14.117 0.000) 22.031 13.106 ( -14.936 12.728 0.000) 19.624 13.222 ( -9.360 15.106 0.000) 17.770 13.382 ( -8.369 11.261 0.000) 14.030 13.444 ( -11.994 12.969 0.000) 17.665 13.612 ( -11.091 6.822 0.000) 13.021 13.656 ( -5.363 7.251 0.000) 9.019 13.916 ( -12.085 6.061 0.000) 13.520 14.120 ( -11.510 7.111 0.000) 13.529 14.273 ( -8.282 7.576 0.000) 11.225 15.138 ( 3.358 34.162 0.000) 34.326 15.961 ( 9.232 3.585 0.000) 9.904 16.079 ( 9.815 3.525 0.000) 10.429 16.096 ( 8.022 3.215 0.000) 8.643 16.291 ( 7.909 2.773 0.000) 8.381 16.418 ( 6.253 3.151 0.000) 7.003 16.491 ( 4.948 3.628 0.000) 6.136 16.582 ( 6.410 1.096 0.000) 6.503 16.708 ( 1.828 3.609 0.000) 4.045 16.939 ( -2.669 3.261 0.000) 4.214 ======================= Grid point 32 (18/56) ======================= q-point: ( 0.46 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.743 ( 9.548 6.842 0.000) 11.747 2.804 ( 8.544 5.962 0.000) 10.419 2.861 ( 10.469 4.462 0.000) 11.380 2.892 ( 6.565 5.730 0.000) 8.714 2.941 ( 5.438 6.088 0.000) 8.163 2.979 ( 0.370 5.480 0.000) 5.492 3.000 ( -0.844 5.850 0.000) 5.910 3.046 ( -6.119 4.088 0.000) 7.359 3.051 ( -5.064 4.723 0.000) 6.924 3.102 ( -3.774 5.021 0.000) 6.281 3.356 ( 9.150 19.496 0.000) 21.536 3.390 ( 20.185 8.848 0.000) 22.039 3.440 ( 16.755 13.255 0.000) 21.364 3.463 ( 16.340 13.749 0.000) 21.355 3.545 ( -4.079 22.922 0.000) 23.282 3.666 ( -5.707 17.792 0.000) 18.685 3.789 ( -0.531 13.423 0.000) 13.433 3.875 ( -21.322 9.554 0.000) 23.365 3.951 ( -25.869 3.221 0.000) 26.069 4.020 ( -16.467 4.060 0.000) 16.960 4.985 ( 2.646 7.807 0.000) 8.243 5.157 ( 6.070 8.467 0.000) 10.418 5.216 ( 6.651 11.462 0.000) 13.252 5.239 ( 4.333 1.029 0.000) 4.454 5.258 ( 3.307 3.229 0.000) 4.622 5.275 ( 1.026 3.235 0.000) 3.394 5.301 ( 1.786 2.495 0.000) 3.069 5.344 ( 2.245 2.555 0.000) 3.401 5.360 ( 2.490 12.440 0.000) 12.687 5.616 ( 2.186 7.054 0.000) 7.384 5.941 ( 1.663 23.334 0.000) 23.393 7.202 ( 2.652 -0.872 0.000) 2.792 7.674 ( 8.482 4.022 0.000) 9.387 7.920 ( -5.235 4.407 0.000) 6.843 8.296 ( 7.952 -2.369 0.000) 8.298 8.568 ( -7.590 -5.036 0.000) 9.109 8.687 ( 2.183 -6.423 0.000) 6.784 8.953 ( 5.375 -22.087 0.000) 22.732 9.077 ( 26.349 -40.425 0.000) 48.254 9.138 ( 16.788 -33.246 0.000) 37.244 9.156 ( 19.575 -29.031 0.000) 35.014 9.214 ( 18.452 -34.973 0.000) 39.543 9.349 ( 20.813 -35.203 0.000) 40.895 9.367 ( 9.767 -26.049 0.000) 27.820 9.516 ( 2.643 -24.100 0.000) 24.245 9.611 ( -9.512 -36.584 0.000) 37.800 9.646 ( -21.957 -40.807 0.000) 46.340 9.713 ( -18.168 -31.872 0.000) 36.687 9.744 ( -11.203 -33.374 0.000) 35.204 9.761 ( -8.220 -29.802 0.000) 30.915 9.934 ( 13.747 -34.706 0.000) 37.330 10.020 ( 6.395 -35.006 0.000) 35.586 10.245 ( -2.756 -30.349 0.000) 30.474 10.473 ( -28.875 -32.192 0.000) 43.245 10.499 ( -23.026 -29.027 0.000) 37.051 10.635 ( -10.556 -17.764 0.000) 20.663 10.686 ( -13.570 -22.750 0.000) 26.489 10.882 ( -9.563 -12.018 0.000) 15.358 11.054 ( -14.079 -25.234 0.000) 28.896 11.734 ( 5.562 -16.783 0.000) 17.681 11.936 ( 9.246 -2.071 0.000) 9.475 12.074 ( 23.595 22.884 0.000) 32.870 12.135 ( -6.658 2.321 0.000) 7.051 12.240 ( 21.009 20.936 0.000) 29.659 12.341 ( 15.213 16.945 0.000) 22.773 12.484 ( -2.579 12.142 0.000) 12.413 12.557 ( -17.138 18.233 0.000) 25.023 12.652 ( -17.982 18.348 0.000) 25.691 12.838 ( -10.846 10.818 0.000) 15.319 13.099 ( -2.679 17.721 0.000) 17.922 13.224 ( -4.871 14.116 0.000) 14.933 13.306 ( -4.688 13.397 0.000) 14.193 13.447 ( -2.087 7.372 0.000) 7.662 13.578 ( -5.011 6.235 0.000) 7.999 13.778 ( -0.925 4.701 0.000) 4.791 13.918 ( -6.928 6.727 0.000) 9.656 14.111 ( -6.144 5.571 0.000) 8.293 15.193 ( 1.705 35.047 0.000) 35.088 16.100 ( 4.019 5.490 0.000) 6.803 16.210 ( 3.544 5.056 0.000) 6.174 16.231 ( 4.134 5.555 0.000) 6.924 16.430 ( 5.439 5.437 0.000) 7.691 16.493 ( 0.372 5.904 0.000) 5.916 16.599 ( 5.814 4.575 0.000) 7.398 16.689 ( -1.069 5.424 0.000) 5.529 16.740 ( 6.070 3.398 0.000) 6.956 16.863 ( -5.177 3.689 0.000) 6.357 ======================= Grid point 42 (19/56) ======================= q-point: ( 0.23 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 16.705 16.705 0.000) 23.624 1.994 ( 17.102 17.102 0.000) 24.186 2.078 ( 13.679 13.679 0.000) 19.345 2.226 ( 15.502 15.502 0.000) 21.923 2.394 ( 14.547 14.547 0.000) 20.572 2.452 ( 11.407 11.407 0.000) 16.132 2.712 ( 6.965 6.965 0.000) 9.850 2.919 ( 5.473 5.473 0.000) 7.740 2.965 ( 11.435 11.435 0.000) 16.171 3.111 ( 5.653 5.653 0.000) 7.995 3.176 ( 3.437 3.437 0.000) 4.861 3.251 ( 13.230 13.230 0.000) 18.709 3.359 ( 1.448 1.448 0.000) 2.048 3.417 ( 0.364 0.364 0.000) 0.514 3.742 ( 7.962 7.962 0.000) 11.260 3.961 ( 15.287 15.287 0.000) 21.620 4.243 ( 15.327 15.327 0.000) 21.676 4.359 ( 19.352 19.352 0.000) 27.367 4.525 ( 21.488 21.488 0.000) 30.389 4.542 ( 17.036 17.036 0.000) 24.092 4.640 ( 22.438 22.438 0.000) 31.733 4.760 ( 12.597 12.597 0.000) 17.815 4.761 ( 14.820 14.820 0.000) 20.959 4.867 ( 13.925 13.925 0.000) 19.694 4.937 ( 12.044 12.044 0.000) 17.032 5.040 ( 4.130 4.130 0.000) 5.841 5.134 ( -4.876 -4.876 0.000) 6.895 5.213 ( -10.356 -10.356 0.000) 14.646 5.272 ( -16.611 -16.611 0.000) 23.492 5.276 ( -11.959 -11.959 0.000) 16.912 6.214 ( 9.401 9.401 0.000) 13.295 6.779 ( 10.425 10.425 0.000) 14.743 7.041 ( 3.633 3.633 0.000) 5.137 7.642 ( -7.347 -7.347 0.000) 10.391 7.800 ( -5.394 -5.394 0.000) 7.629 7.857 ( -4.809 -4.809 0.000) 6.801 7.945 ( -3.772 -3.772 0.000) 5.335 8.037 ( -2.531 -2.531 0.000) 3.580 8.044 ( 6.486 6.486 0.000) 9.173 8.082 ( 4.409 4.409 0.000) 6.235 8.123 ( -1.714 -1.714 0.000) 2.424 8.170 ( -1.234 -1.234 0.000) 1.746 8.238 ( -3.531 -3.531 0.000) 4.994 8.241 ( -1.715 -1.715 0.000) 2.426 8.790 ( -0.346 -0.346 0.000) 0.490 9.232 ( -0.788 -0.788 0.000) 1.114 9.572 ( -3.097 -3.097 0.000) 4.380 9.750 ( -7.703 -7.703 0.000) 10.894 10.423 ( -15.616 -15.616 0.000) 22.084 10.807 ( -3.589 -3.589 0.000) 5.075 10.829 ( -26.564 -26.564 0.000) 37.568 10.957 ( -35.034 -35.034 0.000) 49.545 10.960 ( -2.532 -2.532 0.000) 3.581 11.009 ( -13.007 -13.007 0.000) 18.395 11.119 ( 19.454 19.454 0.000) 27.512 11.147 ( 8.321 8.321 0.000) 11.767 11.303 ( -9.527 -9.527 0.000) 13.473 11.414 ( -10.517 -10.517 0.000) 14.873 11.509 ( -12.220 -12.220 0.000) 17.282 11.518 ( 4.263 4.263 0.000) 6.029 11.533 ( -18.797 -18.797 0.000) 26.583 11.551 ( 4.146 4.146 0.000) 5.864 11.598 ( -24.049 -24.049 0.000) 34.010 11.749 ( -17.054 -17.054 0.000) 24.117 12.233 ( -7.565 -7.565 0.000) 10.699 12.728 ( -4.034 -4.034 0.000) 5.705 13.281 ( -4.484 -4.484 0.000) 6.342 13.482 ( -1.927 -1.927 0.000) 2.725 13.605 ( -2.524 -2.524 0.000) 3.569 13.633 ( -1.718 -1.718 0.000) 2.429 13.789 ( -0.864 -0.864 0.000) 1.221 13.809 ( -3.116 -3.116 0.000) 4.406 13.945 ( -1.419 -1.419 0.000) 2.007 14.094 ( -2.173 -2.173 0.000) 3.073 14.288 ( 1.083 1.083 0.000) 1.531 14.431 ( 4.517 4.517 0.000) 6.388 14.492 ( 6.716 6.716 0.000) 9.498 15.537 ( 9.757 9.757 0.000) 13.799 15.646 ( 6.128 6.128 0.000) 8.666 15.784 ( 3.164 3.164 0.000) 4.474 15.841 ( 0.635 0.635 0.000) 0.899 16.110 ( -2.533 -2.533 0.000) 3.582 16.326 ( -4.752 -4.752 0.000) 6.720 16.352 ( 5.336 5.336 0.000) 7.546 16.500 ( -5.227 -5.227 0.000) 7.392 16.588 ( 5.664 5.664 0.000) 8.010 16.999 ( 2.124 2.124 0.000) 3.004 ======================= Grid point 43 (20/56) ======================= q-point: ( 0.31 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.254 ( 19.095 11.555 0.000) 22.319 2.364 ( 20.184 11.453 0.000) 23.207 2.382 ( 17.643 10.925 0.000) 20.752 2.511 ( 12.903 14.309 0.000) 19.268 2.698 ( 14.537 12.108 0.000) 18.919 2.722 ( 16.101 7.414 0.000) 17.726 2.889 ( 12.280 6.057 0.000) 13.693 3.009 ( 3.898 6.414 0.000) 7.506 3.098 ( 3.307 4.952 0.000) 5.955 3.215 ( 0.845 3.778 0.000) 3.872 3.253 ( 5.311 7.788 0.000) 9.427 3.394 ( -1.828 3.088 0.000) 3.588 3.404 ( 5.006 9.692 0.000) 10.909 3.468 ( 8.606 15.584 0.000) 17.803 3.864 ( 4.654 11.792 0.000) 12.677 4.184 ( 6.156 19.980 0.000) 20.907 4.399 ( -0.127 21.441 0.000) 21.441 4.625 ( 2.682 11.240 0.000) 11.556 4.708 ( -3.979 9.322 0.000) 10.135 4.833 ( -7.273 4.023 0.000) 8.311 4.919 ( 1.536 5.122 0.000) 5.348 4.951 ( 0.112 -0.068 0.000) 0.131 4.986 ( 9.233 7.160 0.000) 11.684 4.999 ( 6.426 4.502 0.000) 7.846 5.042 ( 2.833 -5.194 0.000) 5.916 5.064 ( 14.884 15.363 0.000) 21.391 5.108 ( 8.337 3.361 0.000) 8.989 5.156 ( 8.433 2.009 0.000) 8.669 5.243 ( 14.850 9.967 0.000) 17.884 5.364 ( 16.298 9.553 0.000) 18.892 6.316 ( 3.478 20.513 0.000) 20.805 6.971 ( 7.896 4.812 0.000) 9.247 7.168 ( 9.630 -7.980 0.000) 12.507 7.586 ( 2.306 -21.728 0.000) 21.850 7.789 ( 4.198 -18.499 0.000) 18.969 7.878 ( 6.129 -9.763 0.000) 11.527 7.979 ( 6.496 -18.848 0.000) 19.936 8.077 ( 2.108 -9.973 0.000) 10.193 8.115 ( 5.865 -4.587 0.000) 7.446 8.169 ( 4.840 -1.983 0.000) 5.230 8.217 ( 9.837 -6.890 0.000) 12.009 8.272 ( 11.089 -10.925 0.000) 15.566 8.298 ( 12.561 -13.552 0.000) 18.478 8.414 ( 12.883 -19.682 0.000) 23.523 8.758 ( -2.566 -1.160 0.000) 2.816 9.190 ( -3.891 -1.166 0.000) 4.062 9.453 ( -9.039 -6.464 0.000) 11.113 9.577 ( -9.160 -10.163 0.000) 13.682 10.024 ( -23.708 -27.116 0.000) 36.018 10.159 ( -35.899 -36.679 0.000) 51.323 10.212 ( -39.081 -42.553 0.000) 57.776 10.229 ( -37.276 -42.834 0.000) 56.782 10.549 ( -25.807 -21.194 0.000) 33.394 10.847 ( -15.931 -17.382 0.000) 23.579 10.980 ( -25.847 -28.593 0.000) 38.543 10.991 ( -27.700 -29.469 0.000) 40.443 11.092 ( -21.576 -21.401 0.000) 30.389 11.141 ( -12.853 -26.701 0.000) 29.633 11.220 ( -5.513 -4.736 0.000) 7.268 11.404 ( -10.675 -10.922 0.000) 15.273 11.559 ( 25.527 24.751 0.000) 35.556 11.699 ( 20.272 19.996 0.000) 28.474 11.898 ( 12.379 14.121 0.000) 18.779 11.938 ( 20.994 19.723 0.000) 28.805 12.090 ( -3.564 -4.914 0.000) 6.071 12.612 ( -6.396 -3.912 0.000) 7.497 13.145 ( -8.407 -2.946 0.000) 8.908 13.379 ( -8.223 3.422 0.000) 8.907 13.493 ( -7.923 2.216 0.000) 8.227 13.547 ( -6.495 2.108 0.000) 6.829 13.695 ( -7.848 1.346 0.000) 7.962 13.724 ( -5.050 -0.642 0.000) 5.090 13.834 ( -8.627 0.128 0.000) 8.628 13.936 ( -12.186 -3.691 0.000) 12.733 14.167 ( -11.931 -5.326 0.000) 13.066 14.373 ( -9.579 -2.918 0.000) 10.013 14.485 ( -6.908 -1.384 0.000) 7.045 15.638 ( 5.465 24.433 0.000) 25.037 15.869 ( 13.004 9.086 0.000) 15.864 15.969 ( 13.158 9.376 0.000) 16.157 15.998 ( 12.701 7.619 0.000) 14.811 16.195 ( 10.045 6.292 0.000) 11.853 16.355 ( 7.299 5.161 0.000) 8.939 16.485 ( 7.104 7.306 0.000) 10.191 16.506 ( 5.995 3.808 0.000) 7.102 16.720 ( 6.873 6.666 0.000) 9.575 17.040 ( 1.607 4.906 0.000) 5.163 ======================= Grid point 44 (21/56) ======================= q-point: ( 0.38 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.606 ( 16.745 9.532 0.000) 19.268 2.725 ( 14.903 8.675 0.000) 17.244 2.729 ( 14.692 9.821 0.000) 17.672 2.801 ( 20.017 7.707 0.000) 21.449 2.892 ( 8.148 10.604 0.000) 13.373 3.049 ( 5.443 7.870 0.000) 9.569 3.096 ( 14.224 5.191 0.000) 15.141 3.122 ( 3.067 6.397 0.000) 7.095 3.174 ( 4.993 4.948 0.000) 7.029 3.236 ( 2.756 5.580 0.000) 6.223 3.264 ( 1.898 5.227 0.000) 5.561 3.326 ( -3.194 4.809 0.000) 5.773 3.577 ( 8.703 15.495 0.000) 17.771 3.620 ( 8.748 17.026 0.000) 19.142 3.933 ( 2.736 14.966 0.000) 15.214 4.180 ( -6.179 22.401 0.000) 23.238 4.292 ( -9.037 18.307 0.000) 20.416 4.397 ( -21.874 -5.175 0.000) 22.478 4.435 ( -18.145 6.166 0.000) 19.164 4.452 ( -18.241 2.848 0.000) 18.462 5.024 ( 6.416 4.983 0.000) 8.123 5.097 ( 7.515 -0.678 0.000) 7.545 5.139 ( 6.865 -0.164 0.000) 6.867 5.177 ( 7.577 0.532 0.000) 7.596 5.217 ( 9.705 3.595 0.000) 10.350 5.251 ( 9.015 8.933 0.000) 12.692 5.336 ( 11.071 13.573 0.000) 17.516 5.411 ( 11.565 17.382 0.000) 20.878 5.507 ( 10.750 12.226 0.000) 16.281 5.639 ( 11.102 13.299 0.000) 17.324 6.396 ( 4.708 24.895 0.000) 25.336 7.116 ( 6.766 0.491 0.000) 6.784 7.383 ( 12.541 -13.872 0.000) 18.701 7.733 ( 12.439 -31.102 0.000) 33.497 7.949 ( 10.901 -24.244 0.000) 26.582 8.047 ( 9.594 -17.836 0.000) 20.253 8.096 ( 4.322 -10.959 0.000) 11.781 8.187 ( 8.915 -20.034 0.000) 21.928 8.265 ( 8.373 -11.039 0.000) 13.855 8.335 ( 14.103 -17.709 0.000) 22.638 8.465 ( 14.127 -21.722 0.000) 25.912 8.540 ( 13.332 -17.490 0.000) 21.992 8.567 ( 10.565 -19.951 0.000) 22.576 8.720 ( 9.645 -16.055 0.000) 18.729 8.734 ( 11.559 -14.160 0.000) 18.279 9.086 ( -5.781 -12.249 0.000) 13.545 9.256 ( -12.311 -15.368 0.000) 19.691 9.373 ( -17.635 -26.710 0.000) 32.007 9.457 ( -28.205 -39.950 0.000) 48.903 9.528 ( -29.225 -38.716 0.000) 48.508 9.547 ( -25.533 -34.700 0.000) 43.082 9.560 ( -26.830 -39.554 0.000) 47.795 10.023 ( -23.840 -22.343 0.000) 32.674 10.415 ( -29.685 -32.059 0.000) 43.692 10.432 ( -27.360 -29.344 0.000) 40.120 10.572 ( -18.952 -24.939 0.000) 31.323 10.679 ( -16.584 -12.658 0.000) 20.863 10.844 ( -16.963 -25.920 0.000) 30.977 10.995 ( -13.994 -7.166 0.000) 15.723 11.322 ( -1.986 -14.823 0.000) 14.955 11.833 ( 0.003 0.016 0.000) 0.016 12.045 ( 23.519 21.960 0.000) 32.178 12.130 ( 5.776 -1.897 0.000) 6.080 12.230 ( 17.352 16.459 0.000) 23.916 12.307 ( 16.468 13.723 0.000) 21.436 12.531 ( -0.723 -2.372 0.000) 2.480 12.992 ( -6.363 -1.636 0.000) 6.570 13.172 ( -13.004 8.620 0.000) 15.602 13.296 ( -12.662 6.448 0.000) 14.209 13.425 ( -4.931 5.465 0.000) 7.360 13.538 ( -7.280 3.846 0.000) 8.234 13.611 ( -6.423 2.167 0.000) 6.778 13.661 ( -8.838 1.013 0.000) 8.896 13.704 ( -8.928 -0.357 0.000) 8.935 13.908 ( -12.447 -6.593 0.000) 14.086 14.131 ( -13.068 -5.971 0.000) 14.367 14.282 ( -11.963 -6.750 0.000) 13.736 15.749 ( 5.297 28.195 0.000) 28.688 16.124 ( 11.884 12.828 0.000) 17.487 16.227 ( 11.561 11.567 0.000) 16.354 16.244 ( 11.595 11.605 0.000) 16.405 16.421 ( 11.469 10.354 0.000) 15.452 16.548 ( 10.535 10.148 0.000) 14.628 16.623 ( 6.038 9.534 0.000) 11.285 16.672 ( 10.041 8.364 0.000) 13.068 16.827 ( 3.623 8.468 0.000) 9.211 17.049 ( -0.962 7.623 0.000) 7.683 ======================= Grid point 45 (22/56) ======================= q-point: ( 0.46 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.891 ( 11.104 8.508 0.000) 13.989 2.939 ( 8.975 8.023 0.000) 12.038 2.984 ( 8.598 7.692 0.000) 11.537 3.035 ( 4.895 8.526 0.000) 9.831 3.083 ( 4.007 7.838 0.000) 8.803 3.107 ( 1.371 7.460 0.000) 7.585 3.128 ( -2.180 6.973 0.000) 7.306 3.149 ( -5.291 6.198 0.000) 8.149 3.164 ( -3.716 6.799 0.000) 7.749 3.208 ( 1.523 5.571 0.000) 5.776 3.458 ( 19.508 2.402 0.000) 19.656 3.583 ( 17.962 6.167 0.000) 18.992 3.744 ( 10.630 9.210 0.000) 14.065 3.824 ( 10.666 19.657 0.000) 22.364 3.904 ( -18.016 3.066 0.000) 18.275 3.945 ( -17.535 5.716 0.000) 18.444 4.010 ( -5.831 19.941 0.000) 20.776 4.045 ( -14.016 15.061 0.000) 20.574 4.119 ( -10.855 7.117 0.000) 12.980 4.200 ( -7.184 17.765 0.000) 19.162 5.106 ( 2.004 4.187 0.000) 4.642 5.206 ( 3.098 -1.348 0.000) 3.378 5.238 ( 2.843 -1.429 0.000) 3.182 5.286 ( 3.103 1.646 0.000) 3.512 5.348 ( 3.488 2.287 0.000) 4.171 5.387 ( 3.824 11.241 0.000) 11.874 5.485 ( 3.914 13.538 0.000) 14.093 5.566 ( 4.044 17.255 0.000) 17.722 5.648 ( 3.664 12.709 0.000) 13.227 5.787 ( 3.832 14.308 0.000) 14.812 6.476 ( 2.641 27.708 0.000) 27.834 7.199 ( 1.654 0.828 0.000) 1.850 7.675 ( 15.762 -10.671 0.000) 19.035 7.977 ( -2.009 -5.052 0.000) 5.437 8.086 ( 13.405 -25.955 0.000) 29.213 8.180 ( 8.067 -23.614 0.000) 24.954 8.307 ( 12.252 -38.063 0.000) 39.986 8.379 ( 9.595 -22.817 0.000) 24.752 8.501 ( -4.861 -25.012 0.000) 25.480 8.515 ( 10.326 -30.379 0.000) 32.085 8.606 ( -1.159 -19.298 0.000) 19.333 8.665 ( 15.266 -27.571 0.000) 31.515 8.771 ( 3.708 -35.110 0.000) 35.306 8.809 ( -13.742 -32.804 0.000) 35.566 8.846 ( -13.941 -29.314 0.000) 32.461 8.883 ( -6.565 -29.177 0.000) 29.907 8.924 ( -5.444 -29.357 0.000) 29.857 9.043 ( -15.159 -33.769 0.000) 37.016 9.103 ( -12.670 -30.268 0.000) 32.813 9.188 ( 2.591 -28.163 0.000) 28.282 9.319 ( 10.234 -26.324 0.000) 28.244 9.420 ( 9.886 -25.807 0.000) 27.635 9.738 ( -5.174 -21.848 0.000) 22.452 9.832 ( -28.418 -31.756 0.000) 42.615 9.924 ( -22.194 -28.206 0.000) 35.891 10.229 ( -12.150 -25.537 0.000) 28.280 10.439 ( -8.025 -6.395 0.000) 10.261 10.566 ( -8.757 -18.085 0.000) 20.094 10.772 ( -6.945 -3.169 0.000) 7.634 11.286 ( -1.131 -22.938 0.000) 22.966 11.907 ( 7.066 -5.226 0.000) 8.788 12.073 ( -7.782 -8.463 0.000) 11.497 12.472 ( 18.489 15.154 0.000) 23.906 12.543 ( 7.818 1.587 0.000) 7.978 12.576 ( 7.770 3.288 0.000) 8.437 12.624 ( 15.801 13.677 0.000) 20.899 12.874 ( -17.134 13.436 0.000) 21.773 12.894 ( -5.727 5.545 0.000) 7.972 13.022 ( -12.805 8.947 0.000) 15.621 13.339 ( -3.684 7.562 0.000) 8.411 13.461 ( -1.424 7.336 0.000) 7.473 13.495 ( -2.848 5.370 0.000) 6.078 13.527 ( -3.302 4.816 0.000) 5.839 13.593 ( -4.361 -3.196 0.000) 5.406 13.749 ( -3.145 -7.336 0.000) 7.981 13.932 ( -5.972 -5.200 0.000) 7.919 14.089 ( -6.173 -7.711 0.000) 9.878 15.825 ( 2.134 29.339 0.000) 29.416 16.292 ( 4.614 13.752 0.000) 14.505 16.386 ( 4.280 12.413 0.000) 13.131 16.411 ( 4.651 12.661 0.000) 13.488 16.602 ( 6.383 11.682 0.000) 13.312 16.671 ( 0.719 11.790 0.000) 11.812 16.742 ( 6.263 9.779 0.000) 11.612 16.850 ( -0.483 10.591 0.000) 10.602 16.861 ( 7.807 9.511 0.000) 12.305 16.995 ( -4.535 9.564 0.000) 10.585 ======================= Grid point 56 (23/56) ======================= q-point: ( 0.31 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 15.497 15.497 0.000) 21.917 2.625 ( 14.860 14.860 0.000) 21.015 2.627 ( 14.023 14.023 0.000) 19.831 2.829 ( 14.841 14.841 0.000) 20.989 2.850 ( 10.493 10.493 0.000) 14.840 2.990 ( 13.277 13.277 0.000) 18.777 3.007 ( 7.909 7.909 0.000) 11.185 3.129 ( 5.640 5.640 0.000) 7.976 3.185 ( 4.020 4.020 0.000) 5.685 3.279 ( 2.857 2.857 0.000) 4.040 3.331 ( 1.709 1.709 0.000) 2.417 3.422 ( 0.237 0.237 0.000) 0.336 3.649 ( 13.097 13.097 0.000) 18.523 3.699 ( 8.089 8.089 0.000) 11.440 4.059 ( 8.392 8.392 0.000) 11.868 4.502 ( 3.959 3.959 0.000) 5.600 4.596 ( -6.181 -6.181 0.000) 8.742 4.669 ( -9.820 -9.820 0.000) 13.887 4.698 ( -7.490 -7.490 0.000) 10.592 4.797 ( 6.239 6.239 0.000) 8.823 4.872 ( -4.578 -4.578 0.000) 6.475 4.957 ( 9.656 9.656 0.000) 13.656 4.985 ( -2.086 -2.086 0.000) 2.950 5.103 ( 7.345 7.345 0.000) 10.388 5.130 ( 7.142 7.142 0.000) 10.100 5.258 ( 13.802 13.802 0.000) 19.518 5.358 ( 15.145 15.145 0.000) 21.419 5.480 ( 17.062 17.062 0.000) 24.130 5.495 ( 15.111 15.111 0.000) 21.371 5.685 ( 17.061 17.061 0.000) 24.128 6.616 ( 10.831 10.831 0.000) 15.318 6.941 ( -8.066 -8.066 0.000) 11.407 7.142 ( 7.224 7.224 0.000) 10.216 7.247 ( -11.155 -11.155 0.000) 15.776 7.487 ( -10.507 -10.507 0.000) 14.860 7.711 ( -8.324 -8.324 0.000) 11.772 7.849 ( -0.404 -0.404 0.000) 0.571 7.920 ( 0.618 0.618 0.000) 0.875 7.998 ( -4.846 -4.846 0.000) 6.853 8.115 ( -2.288 -2.288 0.000) 3.236 8.128 ( -1.241 -1.241 0.000) 1.755 8.156 ( 0.169 0.169 0.000) 0.239 8.268 ( 2.848 2.848 0.000) 4.028 8.302 ( 5.185 5.185 0.000) 7.333 8.719 ( -3.103 -3.103 0.000) 4.389 9.142 ( -5.204 -5.204 0.000) 7.359 9.252 ( -20.455 -20.455 0.000) 28.928 9.303 ( -37.285 -37.285 0.000) 52.728 9.346 ( -15.587 -15.587 0.000) 22.044 9.356 ( -40.583 -40.583 0.000) 57.393 9.439 ( -37.387 -37.387 0.000) 52.873 9.455 ( -33.002 -33.002 0.000) 46.671 10.166 ( -22.656 -22.656 0.000) 32.040 10.332 ( -25.435 -25.435 0.000) 35.971 10.397 ( -30.167 -30.167 0.000) 42.663 10.415 ( -28.682 -28.682 0.000) 40.563 10.676 ( -19.596 -19.596 0.000) 27.713 10.810 ( -12.783 -12.783 0.000) 18.077 11.121 ( -7.929 -7.929 0.000) 11.213 11.192 ( -9.212 -9.212 0.000) 13.027 11.916 ( -8.141 -8.141 0.000) 11.514 11.964 ( 3.491 3.491 0.000) 4.937 12.028 ( 22.113 22.113 0.000) 31.273 12.217 ( 17.392 17.392 0.000) 24.596 12.275 ( 13.332 13.332 0.000) 18.854 12.501 ( -5.353 -5.353 0.000) 7.570 13.026 ( -7.782 -7.782 0.000) 11.006 13.381 ( -2.912 -2.912 0.000) 4.118 13.469 ( -4.056 -4.056 0.000) 5.736 13.527 ( -3.732 -3.732 0.000) 5.277 13.645 ( -5.658 -5.658 0.000) 8.002 13.652 ( -5.580 -5.580 0.000) 7.892 13.793 ( -3.558 -3.558 0.000) 5.032 13.831 ( -5.389 -5.389 0.000) 7.622 13.962 ( -13.683 -13.683 0.000) 19.351 14.197 ( -13.319 -13.319 0.000) 18.835 14.328 ( -13.057 -13.057 0.000) 18.465 16.035 ( 14.898 14.898 0.000) 21.068 16.109 ( 14.934 14.934 0.000) 21.120 16.222 ( 14.545 14.545 0.000) 20.570 16.230 ( 15.316 15.316 0.000) 21.660 16.401 ( 13.617 13.617 0.000) 19.257 16.540 ( 12.555 12.555 0.000) 17.755 16.658 ( 11.334 11.334 0.000) 16.028 16.665 ( 9.634 9.634 0.000) 13.624 16.876 ( 8.437 8.437 0.000) 11.932 17.141 ( 4.908 4.908 0.000) 6.941 ======================= Grid point 57 (24/56) ======================= q-point: ( 0.38 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 14.397 12.346 0.000) 18.965 2.907 ( 14.211 10.314 0.000) 17.559 2.937 ( 15.407 9.877 0.000) 18.301 2.998 ( 9.444 12.659 0.000) 15.794 3.111 ( 5.718 11.011 0.000) 12.407 3.191 ( 14.701 6.341 0.000) 16.010 3.205 ( 5.655 6.436 0.000) 8.568 3.245 ( 3.993 5.965 0.000) 7.178 3.264 ( 4.239 4.407 0.000) 6.115 3.335 ( 0.493 4.666 0.000) 4.692 3.356 ( 2.793 3.900 0.000) 4.797 3.426 ( 4.844 5.626 0.000) 7.424 3.790 ( 2.323 6.327 0.000) 6.740 3.899 ( 11.513 11.699 0.000) 16.413 4.185 ( 2.049 8.783 0.000) 9.019 4.224 ( -16.588 -9.082 0.000) 18.912 4.402 ( -14.109 -4.165 0.000) 14.710 4.435 ( -13.897 -2.155 0.000) 14.063 4.598 ( -7.791 16.757 0.000) 18.479 4.677 ( -7.238 13.345 0.000) 15.181 5.024 ( 7.736 -5.612 0.000) 9.557 5.071 ( 8.259 -0.585 0.000) 8.280 5.134 ( 7.548 4.028 0.000) 8.556 5.256 ( 7.502 7.125 0.000) 10.346 5.282 ( 7.448 4.297 0.000) 8.599 5.496 ( 9.844 12.809 0.000) 16.155 5.615 ( 10.537 14.006 0.000) 17.528 5.752 ( 10.595 14.341 0.000) 17.830 5.756 ( 10.693 15.132 0.000) 18.529 5.964 ( 10.996 16.672 0.000) 19.971 6.795 ( 8.962 10.164 0.000) 13.551 6.884 ( 3.221 -15.926 0.000) 16.249 7.140 ( 2.196 -25.411 0.000) 25.506 7.265 ( 2.733 2.656 0.000) 3.811 7.411 ( 2.375 -23.604 0.000) 23.724 7.644 ( 1.079 -22.744 0.000) 22.769 7.843 ( 1.564 -18.438 0.000) 18.505 7.968 ( 2.244 -9.834 0.000) 10.087 8.044 ( 7.677 -2.012 0.000) 7.936 8.130 ( 2.938 -11.940 0.000) 12.297 8.224 ( 6.644 -13.347 0.000) 14.909 8.257 ( -1.186 -6.449 0.000) 6.558 8.307 ( 4.116 -8.113 0.000) 9.097 8.417 ( 3.998 -5.444 0.000) 6.754 8.468 ( -28.740 -36.803 0.000) 46.695 8.564 ( -31.007 -37.793 0.000) 48.885 8.665 ( -8.135 -12.623 0.000) 15.017 8.696 ( -30.503 -36.300 0.000) 47.415 8.866 ( -25.341 -31.416 0.000) 40.362 8.929 ( -19.409 -23.274 0.000) 30.305 9.052 ( -5.885 -11.287 0.000) 12.729 9.141 ( -11.199 -11.167 0.000) 15.815 9.669 ( -22.255 -15.396 0.000) 27.061 9.797 ( -29.492 -30.472 0.000) 42.406 9.870 ( -26.195 -27.199 0.000) 37.762 9.982 ( -16.578 -31.423 0.000) 35.528 10.390 ( -9.341 -15.598 0.000) 18.181 10.547 ( -13.471 -9.084 0.000) 16.248 10.898 ( -11.796 -4.565 0.000) 12.649 11.053 ( -7.301 -11.934 0.000) 13.990 11.750 ( -5.739 -8.065 0.000) 9.899 11.949 ( -4.472 -12.624 0.000) 13.393 12.384 ( 5.666 1.705 0.000) 5.917 12.401 ( 3.586 -1.928 0.000) 4.072 12.485 ( 12.748 10.317 0.000) 16.400 12.586 ( 15.107 13.862 0.000) 20.503 12.908 ( -2.915 -4.850 0.000) 5.659 13.276 ( -7.792 1.950 0.000) 8.033 13.338 ( -9.062 -2.569 0.000) 9.419 13.448 ( -3.294 -3.830 0.000) 5.051 13.524 ( -4.906 -0.934 0.000) 4.994 13.557 ( -4.421 -2.859 0.000) 5.265 13.698 ( -10.028 -9.099 0.000) 13.541 13.713 ( -5.208 1.012 0.000) 5.305 13.742 ( -4.781 0.212 0.000) 4.785 13.929 ( -12.496 -13.200 0.000) 18.176 14.050 ( -13.643 -15.301 0.000) 20.500 16.235 ( 7.232 21.413 0.000) 22.602 16.402 ( 12.932 13.348 0.000) 18.585 16.496 ( 12.078 15.106 0.000) 19.341 16.516 ( 12.754 15.133 0.000) 19.790 16.669 ( 12.551 14.190 0.000) 18.944 16.792 ( 12.044 13.822 0.000) 18.333 16.834 ( 7.046 11.515 0.000) 13.500 16.895 ( 11.933 13.351 0.000) 17.906 17.018 ( 5.489 10.225 0.000) 11.605 17.212 ( 1.916 8.325 0.000) 8.543 ======================= Grid point 58 (25/56) ======================= q-point: ( 0.46 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.070 ( 9.729 9.493 0.000) 13.593 3.110 ( 6.561 9.065 0.000) 11.190 3.148 ( 6.526 8.771 0.000) 10.932 3.207 ( 3.001 8.559 0.000) 9.069 3.228 ( 5.985 6.862 0.000) 9.106 3.260 ( 2.324 7.548 0.000) 7.898 3.266 ( -1.393 6.950 0.000) 7.088 3.274 ( -3.196 6.420 0.000) 7.172 3.310 ( 1.778 7.432 0.000) 7.642 3.316 ( 0.504 5.833 0.000) 5.855 3.508 ( 12.685 2.931 0.000) 13.019 3.664 ( 11.532 2.873 0.000) 11.885 3.814 ( -5.671 -0.920 0.000) 5.745 3.850 ( -6.926 -2.199 0.000) 7.267 4.052 ( -9.873 2.626 0.000) 10.216 4.103 ( -7.796 1.634 0.000) 7.965 4.192 ( 4.199 10.513 0.000) 11.320 4.357 ( 3.338 14.361 0.000) 14.744 4.394 ( -11.305 13.740 0.000) 17.794 4.549 ( -5.347 15.877 0.000) 16.753 5.128 ( 2.486 -1.102 0.000) 2.719 5.194 ( 3.935 0.736 0.000) 4.003 5.234 ( 2.418 1.564 0.000) 2.880 5.369 ( 3.347 6.508 0.000) 7.318 5.390 ( 2.999 2.969 0.000) 4.220 5.629 ( 3.542 12.420 0.000) 12.915 5.756 ( 3.728 13.524 0.000) 14.028 5.892 ( 3.617 12.659 0.000) 13.166 5.897 ( 3.684 15.767 0.000) 16.192 6.108 ( 3.689 16.283 0.000) 16.696 6.950 ( 5.007 19.510 0.000) 20.142 7.097 ( 18.702 -30.487 0.000) 35.766 7.276 ( 1.375 -4.109 0.000) 4.333 7.329 ( 14.293 -33.573 0.000) 36.489 7.542 ( 9.595 -35.361 0.000) 36.640 7.627 ( -26.022 -38.367 0.000) 46.360 7.738 ( -2.243 -34.309 0.000) 34.383 7.789 ( -19.927 -40.358 0.000) 45.010 7.941 ( -2.939 -34.168 0.000) 34.294 7.976 ( -12.339 -38.124 0.000) 40.071 8.148 ( 0.786 -3.272 0.000) 3.365 8.199 ( -0.045 -6.599 0.000) 6.599 8.336 ( -0.762 -16.594 0.000) 16.611 8.344 ( 2.481 -16.236 0.000) 16.424 8.413 ( -0.081 -14.858 0.000) 14.858 8.472 ( 2.751 -16.383 0.000) 16.612 8.494 ( 0.731 -16.701 0.000) 16.717 8.583 ( -12.317 -21.664 0.000) 24.921 8.608 ( -1.525 -15.119 0.000) 15.196 8.709 ( 11.537 -18.275 0.000) 21.612 8.914 ( -4.630 -15.301 0.000) 15.986 9.033 ( 2.071 -13.505 0.000) 13.663 9.238 ( -25.225 -26.694 0.000) 36.727 9.391 ( -7.889 -16.990 0.000) 18.732 9.436 ( -15.799 -21.119 0.000) 26.375 9.712 ( -8.687 -24.694 0.000) 26.177 10.280 ( -2.586 -13.977 0.000) 14.214 10.335 ( -6.685 -4.824 0.000) 8.244 10.727 ( -4.817 -2.405 0.000) 5.384 10.925 ( -4.191 -13.169 0.000) 13.820 11.716 ( 1.376 -13.529 0.000) 13.598 11.839 ( -5.267 -13.639 0.000) 14.620 12.382 ( -0.127 -12.845 0.000) 12.845 12.442 ( -0.082 -11.165 0.000) 11.165 12.796 ( 15.516 12.381 0.000) 19.850 12.859 ( 11.091 8.086 0.000) 13.726 12.902 ( 1.303 -4.073 0.000) 4.276 13.079 ( -12.255 7.472 0.000) 14.353 13.147 ( -9.369 2.983 0.000) 9.833 13.411 ( -0.560 -3.488 0.000) 3.533 13.465 ( -1.691 0.368 0.000) 1.731 13.490 ( -1.804 -0.298 0.000) 1.829 13.541 ( -4.488 -10.677 0.000) 11.582 13.648 ( -1.728 6.305 0.000) 6.537 13.673 ( -2.174 5.580 0.000) 5.989 13.753 ( -4.806 -11.572 0.000) 12.531 13.852 ( -5.614 -14.960 0.000) 15.978 16.332 ( 2.538 22.305 0.000) 22.449 16.579 ( 4.741 13.405 0.000) 14.219 16.661 ( 4.411 15.215 0.000) 15.842 16.693 ( 4.830 15.128 0.000) 15.881 16.856 ( 5.914 13.656 0.000) 14.882 16.919 ( 1.475 12.851 0.000) 12.936 16.978 ( 6.093 13.728 0.000) 15.020 17.075 ( 0.639 11.863 0.000) 11.880 17.094 ( 7.673 12.988 0.000) 15.085 17.206 ( -2.606 11.075 0.000) 11.377 ======================= Grid point 70 (26/56) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.061 ( 11.173 11.173 0.000) 15.801 3.122 ( 10.377 10.377 0.000) 14.675 3.127 ( 10.369 10.369 0.000) 14.664 3.218 ( 7.862 7.862 0.000) 11.118 3.285 ( 6.184 6.184 0.000) 8.745 3.321 ( 5.023 5.023 0.000) 7.103 3.343 ( 3.947 3.947 0.000) 5.582 3.344 ( 8.820 8.820 0.000) 12.473 3.347 ( 4.604 4.604 0.000) 6.511 3.405 ( 1.212 1.212 0.000) 1.714 3.425 ( 4.810 4.810 0.000) 6.802 3.562 ( 8.575 8.575 0.000) 12.126 3.849 ( 0.279 0.279 0.000) 0.394 3.948 ( -10.033 -10.033 0.000) 14.189 4.142 ( 3.634 3.634 0.000) 5.139 4.221 ( -5.821 -5.821 0.000) 8.231 4.270 ( -5.363 -5.363 0.000) 7.584 4.466 ( 5.397 5.397 0.000) 7.633 4.687 ( -4.583 -4.583 0.000) 6.482 4.860 ( -2.538 -2.538 0.000) 3.589 4.994 ( 8.816 8.816 0.000) 12.468 5.132 ( 5.758 5.758 0.000) 8.142 5.228 ( 4.839 4.839 0.000) 6.843 5.384 ( 5.774 5.774 0.000) 8.165 5.405 ( 7.026 7.026 0.000) 9.937 5.717 ( 9.294 9.294 0.000) 13.144 5.853 ( 9.888 9.888 0.000) 13.984 5.986 ( 9.697 9.697 0.000) 13.713 6.020 ( 10.639 10.639 0.000) 15.046 6.239 ( 10.960 10.960 0.000) 15.500 6.524 ( -10.225 -10.225 0.000) 14.461 6.765 ( -11.553 -11.553 0.000) 16.338 7.026 ( -10.207 -10.207 0.000) 14.435 7.071 ( 7.806 7.806 0.000) 11.039 7.272 ( -12.261 -12.261 0.000) 17.339 7.387 ( 1.672 1.672 0.000) 2.365 7.508 ( -16.736 -16.736 0.000) 23.669 7.555 ( -38.165 -38.165 0.000) 53.973 7.672 ( -21.798 -21.798 0.000) 30.826 7.681 ( -32.164 -32.164 0.000) 45.487 8.055 ( -6.832 -6.832 0.000) 9.662 8.090 ( -18.516 -18.516 0.000) 26.185 8.109 ( -0.726 -0.726 0.000) 1.027 8.159 ( 4.772 4.772 0.000) 6.749 8.180 ( 0.762 0.762 0.000) 1.078 8.285 ( -16.230 -16.230 0.000) 22.952 8.372 ( -1.692 -1.692 0.000) 2.393 8.414 ( -1.450 -1.450 0.000) 2.051 8.493 ( -18.427 -18.427 0.000) 26.059 8.536 ( -9.394 -9.394 0.000) 13.285 8.864 ( -7.584 -7.584 0.000) 10.726 8.978 ( -7.732 -7.732 0.000) 10.935 9.230 ( -26.386 -26.386 0.000) 37.315 9.337 ( -20.546 -20.546 0.000) 29.057 9.436 ( -19.586 -19.586 0.000) 27.698 9.466 ( -14.985 -14.985 0.000) 21.192 10.145 ( -9.344 -9.344 0.000) 13.215 10.373 ( -8.700 -8.700 0.000) 12.304 10.778 ( -7.353 -7.353 0.000) 10.399 10.865 ( -7.781 -7.781 0.000) 11.004 11.561 ( -9.372 -9.372 0.000) 13.255 11.728 ( -9.133 -9.133 0.000) 12.915 12.235 ( -7.823 -7.823 0.000) 11.063 12.310 ( -7.288 -7.288 0.000) 10.307 12.760 ( 12.468 12.468 0.000) 17.633 12.822 ( 9.157 9.157 0.000) 12.951 12.827 ( -2.959 -2.959 0.000) 4.185 13.194 ( -7.349 -7.349 0.000) 10.393 13.286 ( -2.867 -2.867 0.000) 4.055 13.389 ( -1.399 -1.399 0.000) 1.978 13.453 ( -9.071 -9.071 0.000) 12.828 13.511 ( -0.526 -0.526 0.000) 0.743 13.566 ( -0.745 -0.745 0.000) 1.053 13.673 ( -11.266 -11.266 0.000) 15.932 13.736 ( -0.029 -0.029 0.000) 0.041 13.752 ( -13.178 -13.178 0.000) 18.637 13.762 ( 0.095 0.095 0.000) 0.134 16.568 ( 11.293 11.293 0.000) 15.971 16.618 ( 10.089 10.089 0.000) 14.268 16.779 ( 12.433 12.433 0.000) 17.583 16.791 ( 12.136 12.136 0.000) 17.162 16.936 ( 12.078 12.078 0.000) 17.080 17.031 ( 9.104 9.104 0.000) 12.875 17.059 ( 11.325 11.325 0.000) 16.016 17.148 ( 11.647 11.647 0.000) 16.471 17.195 ( 7.274 7.274 0.000) 10.287 17.348 ( 5.106 5.106 0.000) 7.221 ======================= Grid point 71 (27/56) ======================= q-point: ( 0.46 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.243 ( 6.676 7.673 0.000) 10.171 3.274 ( 4.522 7.188 0.000) 8.492 3.299 ( 4.416 5.928 0.000) 7.392 3.349 ( 7.155 5.594 0.000) 9.083 3.354 ( 1.435 6.111 0.000) 6.277 3.376 ( -0.584 4.576 0.000) 4.614 3.390 ( 1.064 5.440 0.000) 5.543 3.392 ( 1.049 5.292 0.000) 5.395 3.420 ( 2.188 4.601 0.000) 5.095 3.449 ( 0.027 5.490 0.000) 5.490 3.576 ( 7.267 4.152 0.000) 8.370 3.711 ( -1.020 1.813 0.000) 2.081 3.767 ( 0.783 -1.166 0.000) 1.404 3.831 ( -0.987 -0.755 0.000) 1.242 4.027 ( -8.587 -4.532 0.000) 9.709 4.089 ( -5.617 -1.115 0.000) 5.727 4.366 ( 8.798 6.364 0.000) 10.858 4.547 ( -8.416 2.747 0.000) 8.853 4.568 ( 4.027 7.108 0.000) 8.169 4.766 ( -4.204 5.406 0.000) 6.848 5.139 ( 3.688 3.154 0.000) 4.853 5.228 ( 3.248 2.370 0.000) 4.020 5.301 ( 2.034 4.740 0.000) 5.158 5.474 ( 2.712 5.316 0.000) 5.968 5.507 ( 2.942 6.803 0.000) 7.412 5.845 ( 3.551 9.223 0.000) 9.883 5.988 ( 3.639 9.688 0.000) 10.348 6.115 ( 3.379 9.549 0.000) 10.129 6.161 ( 3.721 10.785 0.000) 11.409 6.382 ( 3.647 11.270 0.000) 11.846 6.506 ( 8.886 -24.482 0.000) 26.045 6.709 ( 5.433 -24.679 0.000) 25.270 6.875 ( -26.552 -34.539 0.000) 43.566 6.919 ( -2.505 -25.390 0.000) 25.513 7.053 ( -17.306 -31.337 0.000) 35.799 7.107 ( -7.897 -25.527 0.000) 26.720 7.222 ( 2.027 -2.382 0.000) 3.128 7.277 ( -12.094 -29.504 0.000) 31.886 7.334 ( -5.112 -17.775 0.000) 18.496 7.385 ( -3.246 3.388 0.000) 4.692 7.941 ( -1.432 -12.037 0.000) 12.121 7.979 ( -2.625 -14.905 0.000) 15.134 8.073 ( -1.324 -10.912 0.000) 10.992 8.154 ( -1.588 -13.315 0.000) 13.409 8.195 ( -1.645 -9.622 0.000) 9.762 8.264 ( 2.859 2.053 0.000) 3.519 8.292 ( 6.432 -9.051 0.000) 11.104 8.344 ( -7.686 -10.187 0.000) 12.761 8.375 ( -0.272 0.164 0.000) 0.317 8.448 ( 1.060 -9.633 0.000) 9.691 8.730 ( -6.518 -4.576 0.000) 7.964 8.785 ( -15.444 -16.378 0.000) 22.512 8.872 ( -2.342 -6.657 0.000) 7.057 9.047 ( -7.696 -16.319 0.000) 18.043 9.128 ( -9.474 -11.677 0.000) 15.037 9.306 ( -3.829 -16.640 0.000) 17.075 10.025 ( -2.986 -10.838 0.000) 11.242 10.236 ( -4.245 -5.321 0.000) 6.807 10.664 ( -3.342 -3.871 0.000) 5.114 10.741 ( -4.032 -7.072 0.000) 8.141 11.440 ( -2.799 -12.685 0.000) 12.990 11.599 ( -3.664 -10.127 0.000) 10.770 12.125 ( -2.977 -11.872 0.000) 12.240 12.203 ( -2.930 -11.182 0.000) 11.559 12.751 ( -2.120 -8.485 0.000) 8.746 12.920 ( 1.212 -2.326 0.000) 2.622 13.005 ( 10.418 8.429 0.000) 13.401 13.107 ( -1.348 -5.080 0.000) 5.256 13.186 ( -7.122 2.220 0.000) 7.460 13.339 ( -1.813 -4.208 0.000) 4.582 13.358 ( -2.226 -0.139 0.000) 2.230 13.507 ( -2.114 -3.791 0.000) 4.341 13.525 ( -0.568 -2.833 0.000) 2.889 13.552 ( -1.621 0.180 0.000) 1.631 13.562 ( -4.819 -12.553 0.000) 13.446 13.743 ( 0.397 3.240 0.000) 3.264 13.755 ( -0.586 2.816 0.000) 2.876 16.689 ( 2.766 14.096 0.000) 14.365 16.779 ( 4.625 7.485 0.000) 8.799 16.946 ( 4.385 12.631 0.000) 13.371 16.962 ( 4.722 11.548 0.000) 12.476 17.109 ( 5.099 11.365 0.000) 12.456 17.147 ( 2.677 9.758 0.000) 10.119 17.230 ( 5.399 11.054 0.000) 12.302 17.283 ( 1.629 8.789 0.000) 8.939 17.329 ( 6.412 10.259 0.000) 12.098 17.397 ( -0.273 7.908 0.000) 7.913 ======================= Grid point 84 (28/56) ======================= q-point: ( 0.46 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( 3.556 3.556 0.000) 5.029 3.370 ( 2.305 2.305 0.000) 3.260 3.381 ( 2.326 2.326 0.000) 3.290 3.427 ( 2.510 2.510 0.000) 3.550 3.439 ( 2.142 2.142 0.000) 3.030 3.444 ( 2.109 2.109 0.000) 2.982 3.466 ( 2.048 2.048 0.000) 2.897 3.467 ( 2.054 2.054 0.000) 2.904 3.478 ( -1.677 -1.677 0.000) 2.372 3.482 ( 1.832 1.832 0.000) 2.591 3.681 ( 5.372 5.372 0.000) 7.597 3.734 ( 0.849 0.849 0.000) 1.201 3.774 ( 0.143 0.143 0.000) 0.202 3.836 ( 1.627 1.627 0.000) 2.301 3.919 ( -5.414 -5.414 0.000) 7.656 4.064 ( -1.101 -1.101 0.000) 1.557 4.454 ( 2.788 2.788 0.000) 3.943 4.551 ( -1.070 -1.070 0.000) 1.513 4.653 ( 2.076 2.076 0.000) 2.936 4.798 ( -0.249 -0.249 0.000) 0.353 5.209 ( 2.343 2.343 0.000) 3.313 5.272 ( 1.713 1.713 0.000) 2.422 5.384 ( 2.734 2.734 0.000) 3.867 5.562 ( 2.780 2.780 0.000) 3.931 5.610 ( 3.042 3.042 0.000) 4.303 5.975 ( 3.732 3.732 0.000) 5.278 6.122 ( 3.778 3.778 0.000) 5.343 6.208 ( -4.022 -4.022 0.000) 5.688 6.250 ( 2.839 2.839 0.000) 4.015 6.305 ( 3.203 3.203 0.000) 4.530 6.336 ( -16.082 -16.082 0.000) 22.744 6.418 ( -6.718 -6.718 0.000) 9.500 6.507 ( -15.148 -15.148 0.000) 21.422 6.536 ( 3.957 3.957 0.000) 5.596 6.657 ( -8.019 -8.019 0.000) 11.340 6.712 ( -12.911 -12.911 0.000) 18.259 6.881 ( -9.885 -9.885 0.000) 13.980 6.898 ( -11.287 -11.287 0.000) 15.962 7.379 ( 3.784 3.784 0.000) 5.351 7.421 ( -0.379 -0.379 0.000) 0.535 7.776 ( -4.523 -4.523 0.000) 6.396 7.780 ( -5.098 -5.098 0.000) 7.210 7.938 ( -2.903 -2.903 0.000) 4.106 7.961 ( -5.326 -5.326 0.000) 7.533 8.087 ( -1.279 -1.279 0.000) 1.808 8.142 ( -6.602 -6.602 0.000) 9.337 8.211 ( 0.120 0.120 0.000) 0.169 8.290 ( -6.679 -6.679 0.000) 9.446 8.331 ( 1.739 1.739 0.000) 2.459 8.401 ( 0.833 0.833 0.000) 1.178 8.558 ( -4.946 -4.946 0.000) 6.995 8.720 ( -0.308 -0.308 0.000) 0.436 8.766 ( -3.100 -3.100 0.000) 4.384 8.822 ( -5.824 -5.824 0.000) 8.236 8.962 ( -4.875 -4.875 0.000) 6.895 9.087 ( -5.458 -5.458 0.000) 7.719 9.881 ( -3.800 -3.800 0.000) 5.373 10.147 ( -2.902 -2.902 0.000) 4.105 10.599 ( -2.081 -2.081 0.000) 2.943 10.633 ( -3.337 -3.337 0.000) 4.719 11.271 ( -4.315 -4.315 0.000) 6.103 11.462 ( -3.689 -3.689 0.000) 5.218 11.960 ( -4.473 -4.473 0.000) 6.326 12.051 ( -3.986 -3.986 0.000) 5.637 12.623 ( -3.684 -3.684 0.000) 5.210 12.850 ( -2.703 -2.703 0.000) 3.823 12.994 ( -3.969 -3.969 0.000) 5.613 13.137 ( 5.173 5.173 0.000) 7.315 13.201 ( -0.955 -0.955 0.000) 1.350 13.334 ( 0.990 0.990 0.000) 1.400 13.355 ( -2.603 -2.603 0.000) 3.681 13.365 ( -2.410 -2.410 0.000) 3.408 13.376 ( -4.633 -4.633 0.000) 6.552 13.561 ( 1.436 1.436 0.000) 2.030 13.573 ( 0.288 0.288 0.000) 0.407 13.785 ( 1.084 1.084 0.000) 1.534 13.788 ( 0.686 0.686 0.000) 0.970 16.873 ( 4.046 4.046 0.000) 5.722 16.880 ( 3.351 3.351 0.000) 4.739 17.119 ( 4.533 4.533 0.000) 6.411 17.121 ( 4.388 4.388 0.000) 6.205 17.269 ( 4.463 4.463 0.000) 6.312 17.279 ( 3.411 3.411 0.000) 4.823 17.384 ( 4.442 4.442 0.000) 6.281 17.400 ( 2.848 2.848 0.000) 4.027 17.476 ( 4.471 4.471 0.000) 6.323 17.498 ( 2.151 2.151 0.000) 3.041 ======================= Grid point 169 (29/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 0.000 0.000) 0.000 0.382 ( 0.000 0.000 0.000) 0.000 0.572 ( 0.000 0.000 -0.000) 0.000 0.572 ( 0.000 0.000 -0.000) 0.000 0.853 ( 0.000 0.000 -0.000) 0.000 0.939 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 -0.000) 0.000 1.286 ( 0.000 0.000 -0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.511 ( 0.000 0.000 -0.000) 0.000 2.511 ( 0.000 0.000 -0.000) 0.000 2.704 ( 0.000 0.000 -0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 -0.000) 0.000 3.205 ( 0.000 0.000 -0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 -0.000) 0.000 3.418 ( 0.000 0.000 -0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 4.439 ( 0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.280 ( 0.000 0.000 0.000) 0.000 5.627 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.293 ( 0.000 0.000 -0.000) 0.000 6.461 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 7.078 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.670 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.478 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 9.432 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.011 ( 0.000 0.000 0.000) 0.000 10.716 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 12.443 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.743 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 12.952 ( 0.000 0.000 0.000) 0.000 13.064 ( 0.000 0.000 -0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.135 ( 0.000 0.000 0.000) 0.000 13.221 ( 0.000 0.000 -0.000) 0.000 13.221 ( 0.000 0.000 -0.000) 0.000 13.365 ( 0.000 0.000 0.000) 0.000 13.365 ( 0.000 0.000 0.000) 0.000 13.408 ( 0.000 0.000 -0.000) 0.000 13.477 ( 0.000 0.000 0.000) 0.000 13.477 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 13.532 ( 0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 13.706 ( 0.000 0.000 0.000) 0.000 13.754 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 16.776 ( 0.000 0.000 0.000) 0.000 16.789 ( 0.000 0.000 0.000) 0.000 17.036 ( 0.000 0.000 0.000) 0.000 17.084 ( 0.000 0.000 0.000) 0.000 17.255 ( 0.000 0.000 -0.000) 0.000 17.278 ( 0.000 0.000 0.000) 0.000 17.352 ( 0.000 0.000 0.000) 0.000 17.539 ( 0.000 0.000 0.000) 0.000 17.558 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 171 (30/56) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 13.842 0.000 -0.000) 13.842 0.770 ( 28.865 0.000 0.000) 28.865 0.793 ( 18.226 0.000 0.000) 18.226 0.858 ( 23.796 0.000 -0.000) 23.796 1.329 ( 41.302 0.000 0.000) 41.302 1.384 ( 42.195 0.000 -0.000) 42.195 1.422 ( 12.911 0.000 -0.000) 12.911 1.623 ( 27.826 0.000 -0.000) 27.826 1.678 ( 9.577 0.000 0.000) 9.577 1.761 ( 15.793 0.000 0.000) 15.793 2.252 ( 4.906 0.000 0.000) 4.906 2.368 ( 15.092 0.000 0.000) 15.092 2.542 ( 3.046 0.000 -0.000) 3.046 2.582 ( 7.734 0.000 -0.000) 7.734 2.864 ( 16.042 0.000 -0.000) 16.042 2.991 ( 0.836 0.000 0.000) 0.836 3.106 ( 11.639 0.000 0.000) 11.639 3.204 ( -0.118 0.000 -0.000) 0.118 3.304 ( 8.482 0.000 0.000) 8.482 3.359 ( 10.177 0.000 0.000) 10.177 3.407 ( -1.148 0.000 -0.000) 1.148 3.540 ( -0.881 0.000 0.000) 0.881 3.545 ( 12.267 0.000 0.000) 12.267 3.702 ( 13.824 0.000 0.000) 13.824 4.465 ( 3.208 0.000 0.000) 3.208 4.896 ( -0.410 0.000 0.000) 0.410 5.273 ( -0.714 0.000 0.000) 0.714 5.588 ( -2.923 0.000 0.000) 2.923 5.735 ( 29.523 0.000 0.000) 29.523 5.880 ( -5.028 0.000 0.000) 5.028 6.222 ( -6.993 0.000 -0.000) 6.993 6.371 ( -8.883 0.000 0.000) 8.883 6.604 ( 3.549 0.000 0.000) 3.549 7.075 ( 3.164 0.000 0.000) 3.164 7.770 ( 10.083 0.000 0.000) 10.083 7.836 ( 8.826 0.000 0.000) 8.826 7.879 ( 13.062 0.000 0.000) 13.062 8.063 ( 26.259 0.000 0.000) 26.259 8.108 ( 9.913 0.000 0.000) 9.913 8.219 ( 16.724 0.000 0.000) 16.724 8.244 ( 10.022 0.000 0.000) 10.022 8.319 ( 13.468 0.000 0.000) 13.468 8.334 ( 9.733 0.000 0.000) 9.733 8.372 ( 6.814 0.000 -0.000) 6.814 8.466 ( 8.634 0.000 0.000) 8.634 8.483 ( 9.252 0.000 0.000) 9.252 8.532 ( 20.893 0.000 0.000) 20.893 8.592 ( 8.830 0.000 0.000) 8.830 8.739 ( 25.662 0.000 0.000) 25.662 8.898 ( 8.719 0.000 0.000) 8.719 8.961 ( 16.288 0.000 0.000) 16.288 9.524 ( 0.970 0.000 0.000) 0.970 9.821 ( -2.899 0.000 0.000) 2.899 10.073 ( 6.307 0.000 0.000) 6.307 10.764 ( 3.810 0.000 0.000) 3.810 11.592 ( 2.490 0.000 0.000) 2.490 12.460 ( -0.156 0.000 0.000) 0.156 12.690 ( -5.403 0.000 0.000) 5.403 12.718 ( -1.093 0.000 0.000) 1.093 12.898 ( -5.483 0.000 0.000) 5.483 12.949 ( 0.339 0.000 0.000) 0.339 13.057 ( -5.153 0.000 -0.000) 5.153 13.081 ( -5.509 0.000 0.000) 5.509 13.168 ( -5.453 0.000 -0.000) 5.453 13.176 ( 3.473 0.000 0.000) 3.473 13.271 ( 5.392 0.000 -0.000) 5.392 13.313 ( -5.376 0.000 0.000) 5.376 13.359 ( -1.934 0.000 0.000) 1.934 13.398 ( -0.450 0.000 -0.000) 0.450 13.423 ( -5.491 0.000 0.000) 5.491 13.434 ( -2.594 0.000 0.000) 2.594 13.479 ( -5.449 0.000 0.000) 5.449 13.523 ( 0.270 0.000 0.000) 0.270 13.654 ( -5.351 0.000 0.000) 5.351 13.704 ( 0.481 0.000 0.000) 0.481 14.001 ( 0.184 0.000 0.000) 0.184 14.207 ( -4.716 0.000 0.000) 4.716 14.491 ( 15.502 0.000 0.000) 15.502 16.498 ( -22.194 0.000 0.000) 22.194 16.809 ( -3.168 0.000 0.000) 3.168 16.883 ( -5.565 0.000 -0.000) 5.565 16.922 ( -11.027 0.000 0.000) 11.027 17.049 ( -18.946 0.000 -0.000) 18.946 17.117 ( -15.474 0.000 -0.000) 15.474 17.232 ( -11.622 0.000 0.000) 11.622 17.447 ( -10.917 0.000 0.000) 10.917 17.449 ( -8.863 0.000 -0.000) 8.863 ======================= Grid point 173 (31/56) ======================= q-point: ( 0.15 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 19.789 0.000 -0.000) 19.789 1.161 ( 21.117 0.000 0.000) 21.117 1.334 ( 27.239 0.000 -0.000) 27.239 1.361 ( 26.420 0.000 0.000) 26.420 1.735 ( 17.791 0.000 -0.000) 17.791 1.909 ( 10.877 0.000 -0.000) 10.877 1.919 ( 14.119 0.000 0.000) 14.119 2.060 ( 23.659 0.000 0.000) 23.659 2.315 ( 44.492 0.000 0.000) 44.492 2.361 ( 42.943 0.000 -0.000) 42.943 2.377 ( 7.410 0.000 0.000) 7.410 2.620 ( 4.692 0.000 -0.000) 4.692 2.704 ( 18.058 0.000 0.000) 18.058 2.811 ( 14.201 0.000 -0.000) 14.201 3.010 ( 0.955 0.000 0.000) 0.955 3.198 ( -0.588 0.000 -0.000) 0.588 3.272 ( 23.437 0.000 -0.000) 23.437 3.374 ( -2.301 0.000 -0.000) 2.301 3.385 ( 15.953 0.000 -0.000) 15.953 3.514 ( -1.817 0.000 0.000) 1.817 3.565 ( 18.845 0.000 0.000) 18.845 3.648 ( 17.566 0.000 0.000) 17.566 3.860 ( 18.831 0.000 0.000) 18.831 4.026 ( 17.979 0.000 0.000) 17.979 4.589 ( 9.903 0.000 0.000) 9.903 4.905 ( 1.797 0.000 -0.000) 1.797 5.252 ( -1.410 0.000 0.000) 1.410 5.501 ( -5.316 0.000 0.000) 5.316 5.738 ( -8.320 0.000 0.000) 8.320 6.005 ( -12.177 0.000 -0.000) 12.177 6.121 ( -15.068 0.000 0.000) 15.068 6.296 ( 21.564 0.000 0.000) 21.564 6.724 ( 8.841 0.000 -0.000) 8.841 7.214 ( 10.124 0.000 0.000) 10.124 8.052 ( 6.020 0.000 0.000) 6.020 8.057 ( 19.007 0.000 0.000) 19.007 8.089 ( 16.945 0.000 0.000) 16.945 8.389 ( 18.523 0.000 0.000) 18.523 8.500 ( 10.739 0.000 0.000) 10.739 8.525 ( 18.352 0.000 0.000) 18.352 8.580 ( 16.120 0.000 -0.000) 16.120 8.612 ( 18.369 0.000 0.000) 18.369 8.622 ( 19.562 0.000 0.000) 19.562 8.672 ( 24.447 0.000 0.000) 24.447 8.716 ( 16.878 0.000 0.000) 16.878 8.847 ( 17.102 0.000 0.000) 17.102 8.849 ( 32.619 0.000 0.000) 32.619 9.074 ( 9.072 0.000 0.000) 9.072 9.148 ( 16.638 0.000 0.000) 16.638 9.191 ( 36.638 0.000 -0.000) 36.638 9.428 ( 26.929 0.000 0.000) 26.929 9.564 ( 7.184 0.000 0.000) 7.184 9.926 ( 9.997 0.000 0.000) 9.997 10.254 ( 12.050 0.000 0.000) 12.050 10.831 ( 2.114 0.000 0.000) 2.114 11.580 ( -3.860 0.000 0.000) 3.860 12.379 ( -8.137 0.000 0.000) 8.137 12.533 ( -10.624 0.000 0.000) 10.624 12.687 ( -2.906 0.000 0.000) 2.906 12.739 ( -10.762 0.000 0.000) 10.762 12.875 ( -10.789 0.000 -0.000) 10.789 12.921 ( -10.862 0.000 0.000) 10.862 12.955 ( -3.395 0.000 0.000) 3.395 13.009 ( -10.718 0.000 -0.000) 10.718 13.156 ( -10.570 0.000 0.000) 10.570 13.205 ( -1.551 0.000 0.000) 1.551 13.263 ( -10.869 0.000 0.000) 10.869 13.290 ( -2.986 0.000 -0.000) 2.986 13.320 ( -10.769 0.000 0.000) 10.769 13.369 ( 0.077 0.000 0.000) 0.077 13.426 ( 6.051 0.000 0.000) 6.051 13.485 ( 7.824 0.000 0.000) 7.824 13.498 ( -10.570 0.000 0.000) 10.570 13.567 ( 4.798 0.000 0.000) 4.798 13.740 ( 3.200 0.000 0.000) 3.200 13.939 ( -5.255 0.000 0.000) 5.255 14.071 ( -9.188 0.000 0.000) 9.188 14.505 ( -11.851 0.000 0.000) 11.851 16.122 ( -13.926 0.000 0.000) 13.926 16.519 ( -18.735 0.000 0.000) 18.735 16.590 ( -25.408 0.000 -0.000) 25.408 16.725 ( -20.653 0.000 0.000) 20.653 16.783 ( -4.311 0.000 0.000) 4.311 16.912 ( -3.416 0.000 0.000) 3.416 16.933 ( -13.319 0.000 0.000) 13.319 17.157 ( -17.790 0.000 -0.000) 17.790 17.215 ( -14.313 0.000 0.000) 14.313 ======================= Grid point 175 (32/56) ======================= q-point: ( 0.23 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 23.446 0.000 -0.000) 23.446 1.613 ( 24.784 0.000 0.000) 24.784 1.807 ( 21.355 0.000 0.000) 21.355 1.860 ( 23.730 0.000 0.000) 23.730 2.080 ( 16.888 0.000 0.000) 16.888 2.084 ( 9.248 0.000 -0.000) 9.248 2.201 ( 14.259 0.000 0.000) 14.259 2.380 ( 11.357 0.000 0.000) 11.357 2.524 ( 7.353 0.000 0.000) 7.353 2.715 ( 4.757 0.000 -0.000) 4.757 2.874 ( 8.120 0.000 0.000) 8.120 2.996 ( 13.320 0.000 -0.000) 13.320 3.023 ( 0.273 0.000 0.000) 0.273 3.178 ( -1.482 0.000 -0.000) 1.482 3.222 ( 38.000 0.000 0.000) 38.000 3.266 ( 36.088 0.000 -0.000) 36.088 3.317 ( -3.451 0.000 0.000) 3.451 3.469 ( -2.854 0.000 0.000) 2.854 3.651 ( 13.691 0.000 0.000) 13.691 3.715 ( 15.941 0.000 -0.000) 15.941 4.002 ( 23.052 0.000 -0.000) 23.052 4.019 ( 21.516 0.000 0.000) 21.516 4.237 ( 18.859 0.000 0.000) 18.859 4.370 ( 16.811 0.000 0.000) 16.811 4.828 ( 12.767 0.000 0.000) 12.767 4.988 ( 7.143 0.000 -0.000) 7.143 5.219 ( -1.906 0.000 0.000) 1.906 5.398 ( -4.775 0.000 0.000) 4.775 5.568 ( -9.128 0.000 -0.000) 9.128 5.709 ( -17.756 0.000 -0.000) 17.756 5.781 ( -17.082 0.000 0.000) 17.082 6.661 ( 15.765 0.000 0.000) 15.765 6.939 ( 12.361 0.000 -0.000) 12.361 7.439 ( 12.239 0.000 -0.000) 12.239 8.161 ( 5.106 0.000 0.000) 5.106 8.486 ( 23.509 0.000 0.000) 23.509 8.499 ( 25.705 0.000 0.000) 25.705 8.611 ( 3.948 0.000 0.000) 3.948 8.787 ( -0.038 0.000 0.000) 0.038 8.817 ( 24.893 0.000 0.000) 24.893 8.946 ( 24.385 0.000 0.000) 24.385 9.027 ( 21.489 0.000 0.000) 21.489 9.032 ( 24.106 0.000 0.000) 24.106 9.120 ( 24.174 0.000 0.000) 24.174 9.138 ( 24.153 0.000 -0.000) 24.153 9.251 ( 23.899 0.000 0.000) 23.899 9.373 ( 22.574 0.000 0.000) 22.574 9.501 ( 29.444 0.000 0.000) 29.444 9.537 ( 22.797 0.000 0.000) 22.797 9.585 ( 4.348 0.000 0.000) 4.348 9.843 ( 19.872 0.000 0.000) 19.872 9.989 ( 25.587 0.000 0.000) 25.587 10.178 ( 17.531 0.000 -0.000) 17.531 10.535 ( 16.434 0.000 0.000) 16.434 10.815 ( -4.156 0.000 0.000) 4.156 11.471 ( -5.601 0.000 0.000) 5.601 12.193 ( -9.023 0.000 0.000) 9.023 12.278 ( -15.392 0.000 0.000) 15.392 12.482 ( -15.479 0.000 0.000) 15.479 12.569 ( -10.075 0.000 -0.000) 10.075 12.659 ( -15.835 0.000 0.000) 15.835 12.663 ( -10.580 0.000 0.000) 10.580 12.741 ( -17.560 0.000 0.000) 17.560 12.752 ( -15.516 0.000 0.000) 15.516 12.902 ( -15.318 0.000 0.000) 15.318 13.000 ( -15.984 0.000 0.000) 15.984 13.060 ( -15.772 0.000 0.000) 15.772 13.137 ( -5.055 0.000 0.000) 5.055 13.243 ( -15.480 0.000 0.000) 15.480 13.254 ( -3.666 0.000 0.000) 3.666 13.335 ( -4.538 0.000 0.000) 4.538 13.473 ( -1.438 0.000 0.000) 1.438 13.655 ( 4.771 0.000 0.000) 4.771 13.717 ( 9.091 0.000 0.000) 9.091 13.800 ( -5.549 0.000 0.000) 5.549 13.817 ( 1.942 0.000 -0.000) 1.942 13.852 ( -13.093 0.000 0.000) 13.093 14.164 ( -18.520 0.000 0.000) 18.520 15.969 ( -4.027 0.000 0.000) 4.027 16.155 ( -15.742 0.000 0.000) 15.742 16.229 ( -10.859 0.000 -0.000) 10.859 16.347 ( -12.749 0.000 -0.000) 12.749 16.550 ( -17.203 0.000 0.000) 17.203 16.764 ( -0.755 0.000 0.000) 0.755 16.796 ( -17.671 0.000 -0.000) 17.671 16.920 ( -11.333 0.000 0.000) 11.333 16.939 ( -2.912 0.000 0.000) 2.912 ======================= Grid point 177 (33/56) ======================= q-point: ( 0.31 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( 23.977 0.000 0.000) 23.977 2.118 ( 26.653 0.000 0.000) 26.653 2.163 ( 14.862 0.000 0.000) 14.862 2.275 ( 18.740 0.000 0.000) 18.740 2.318 ( 15.730 0.000 0.000) 15.730 2.383 ( 14.074 0.000 0.000) 14.074 2.464 ( 12.515 0.000 -0.000) 12.515 2.567 ( 8.866 0.000 0.000) 8.866 2.657 ( 6.238 0.000 0.000) 6.238 2.800 ( 3.847 0.000 -0.000) 3.847 2.929 ( -0.492 0.000 0.000) 0.492 3.018 ( -0.858 0.000 0.000) 0.858 3.119 ( 1.708 0.000 -0.000) 1.708 3.138 ( -2.694 0.000 -0.000) 2.694 3.239 ( -4.629 0.000 0.000) 4.629 3.402 ( -3.969 0.000 0.000) 3.969 3.705 ( 3.262 0.000 -0.000) 3.262 3.798 ( 7.441 0.000 0.000) 7.441 3.995 ( 22.372 0.000 0.000) 22.372 4.011 ( 27.650 0.000 -0.000) 27.650 4.400 ( 18.009 0.000 -0.000) 18.009 4.423 ( 13.426 0.000 -0.000) 13.426 4.580 ( 17.012 0.000 0.000) 17.012 4.665 ( 12.939 0.000 0.000) 12.939 5.030 ( 7.781 0.000 0.000) 7.781 5.158 ( 7.786 0.000 -0.000) 7.786 5.180 ( -1.962 0.000 0.000) 1.962 5.312 ( -14.457 0.000 0.000) 14.457 5.320 ( -11.786 0.000 -0.000) 11.786 5.371 ( -5.981 0.000 -0.000) 5.981 5.599 ( -1.125 0.000 -0.000) 1.125 6.945 ( 13.751 0.000 0.000) 13.751 7.176 ( 11.608 0.000 -0.000) 11.608 7.674 ( 11.484 0.000 -0.000) 11.484 8.235 ( 1.894 0.000 0.000) 1.894 8.592 ( -7.956 0.000 -0.000) 7.956 8.768 ( 2.832 0.000 0.000) 2.832 8.987 ( 27.345 0.000 0.000) 27.345 9.046 ( 29.711 0.000 0.000) 29.711 9.343 ( 28.427 0.000 0.000) 28.427 9.461 ( 27.755 0.000 0.000) 27.755 9.482 ( 23.841 0.000 0.000) 23.841 9.518 ( 10.488 0.000 -0.000) 10.488 9.536 ( 27.199 0.000 0.000) 27.199 9.603 ( -1.514 0.000 0.000) 1.514 9.638 ( 28.060 0.000 0.000) 28.060 9.763 ( 28.041 0.000 0.000) 28.041 9.786 ( 20.221 0.000 -0.000) 20.221 9.955 ( 13.619 0.000 0.000) 13.619 10.020 ( 26.032 0.000 0.000) 26.032 10.089 ( 13.125 0.000 -0.000) 13.125 10.403 ( 14.487 0.000 -0.000) 14.487 10.592 ( 16.550 0.000 -0.000) 16.550 10.721 ( 3.034 0.000 0.000) 3.034 10.877 ( 17.874 0.000 0.000) 17.874 11.441 ( 3.946 0.000 0.000) 3.946 11.938 ( -19.079 0.000 0.000) 19.079 12.068 ( -4.658 0.000 0.000) 4.658 12.145 ( -18.514 0.000 0.000) 18.514 12.242 ( -24.336 0.000 0.000) 24.336 12.308 ( -19.915 0.000 0.000) 19.915 12.340 ( -20.252 0.000 0.000) 20.252 12.410 ( -19.193 0.000 0.000) 19.193 12.461 ( -11.761 0.000 -0.000) 11.761 12.564 ( -19.082 0.000 0.000) 19.082 12.642 ( -20.572 0.000 0.000) 20.572 12.709 ( -20.079 0.000 0.000) 20.079 12.897 ( -19.776 0.000 0.000) 19.776 12.977 ( -12.083 0.000 0.000) 12.083 13.065 ( -13.620 0.000 0.000) 13.620 13.247 ( -7.862 0.000 0.000) 7.862 13.295 ( -12.460 0.000 0.000) 12.460 13.536 ( -12.604 0.000 -0.000) 12.604 13.567 ( -15.829 0.000 0.000) 15.829 13.713 ( -4.157 0.000 0.000) 4.157 13.832 ( -1.010 0.000 -0.000) 1.010 13.889 ( 3.299 0.000 0.000) 3.299 13.946 ( -2.848 0.000 0.000) 2.848 15.902 ( -0.780 0.000 0.000) 0.780 16.018 ( -0.929 0.000 0.000) 0.929 16.106 ( 0.029 0.000 0.000) 0.029 16.298 ( 3.452 0.000 -0.000) 3.452 16.307 ( -6.068 0.000 -0.000) 6.068 16.524 ( -8.623 0.000 -0.000) 8.623 16.691 ( -8.281 0.000 0.000) 8.281 16.756 ( -0.666 0.000 0.000) 0.666 16.926 ( -1.276 0.000 -0.000) 1.276 ======================= Grid point 179 (34/56) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.382 ( 7.725 0.000 0.000) 7.725 2.403 ( 19.409 0.000 0.000) 19.409 2.594 ( 14.016 0.000 0.000) 14.016 2.624 ( 23.441 0.000 0.000) 23.441 2.632 ( 11.489 0.000 0.000) 11.489 2.685 ( 9.924 0.000 0.000) 9.924 2.733 ( 26.249 0.000 0.000) 26.249 2.749 ( 10.366 0.000 0.000) 10.366 2.770 ( 5.404 0.000 -0.000) 5.404 2.862 ( 2.465 0.000 -0.000) 2.465 2.903 ( -1.078 0.000 0.000) 1.078 2.989 ( -2.137 0.000 0.000) 2.137 3.071 ( -4.170 0.000 -0.000) 4.170 3.120 ( 0.159 0.000 -0.000) 0.159 3.135 ( -5.964 0.000 0.000) 5.964 3.315 ( -4.813 0.000 0.000) 4.813 3.615 ( -10.167 0.000 0.000) 10.167 3.710 ( -10.479 0.000 -0.000) 10.479 4.260 ( -4.165 0.000 0.000) 4.165 4.396 ( -15.915 0.000 -0.000) 15.915 4.525 ( 21.221 0.000 0.000) 21.221 4.643 ( 9.215 0.000 0.000) 9.215 4.849 ( 11.018 0.000 0.000) 11.018 4.925 ( 13.037 0.000 0.000) 13.037 5.076 ( -0.441 0.000 0.000) 0.441 5.128 ( 3.174 0.000 -0.000) 3.174 5.146 ( -1.474 0.000 0.000) 1.474 5.250 ( 2.360 0.000 -0.000) 2.360 5.283 ( 3.632 0.000 -0.000) 3.632 5.360 ( 1.182 0.000 -0.000) 1.182 5.656 ( 4.804 0.000 -0.000) 4.804 7.185 ( 9.844 0.000 0.000) 9.844 7.400 ( 12.036 0.000 -0.000) 12.036 7.877 ( 9.061 0.000 -0.000) 9.061 8.199 ( -6.883 0.000 0.000) 6.883 8.415 ( -7.243 0.000 -0.000) 7.243 8.863 ( 6.296 0.000 0.000) 6.296 9.475 ( -9.941 0.000 0.000) 9.941 9.531 ( 27.560 0.000 0.000) 27.560 9.539 ( -3.894 0.000 -0.000) 3.894 9.637 ( 30.093 0.000 0.000) 30.093 9.903 ( 27.990 0.000 0.000) 27.990 9.987 ( 24.045 0.000 0.000) 24.045 10.004 ( 26.897 0.000 0.000) 26.897 10.013 ( 0.137 0.000 -0.000) 0.137 10.079 ( 27.760 0.000 0.000) 27.760 10.178 ( 25.897 0.000 0.000) 25.897 10.225 ( 22.876 0.000 -0.000) 22.876 10.314 ( 26.947 0.000 0.000) 26.947 10.380 ( -6.944 0.000 0.000) 6.944 10.472 ( 21.246 0.000 -0.000) 21.246 10.519 ( 23.604 0.000 0.000) 23.604 10.866 ( 17.677 0.000 0.000) 17.677 11.089 ( 21.730 0.000 -0.000) 21.730 11.175 ( 9.511 0.000 0.000) 9.511 11.553 ( -19.335 0.000 0.000) 19.335 11.585 ( 4.326 0.000 0.000) 4.326 11.709 ( -26.932 0.000 -0.000) 26.932 11.805 ( -13.856 0.000 0.000) 13.856 11.831 ( -19.966 0.000 0.000) 19.966 11.903 ( -20.000 0.000 -0.000) 20.000 11.941 ( -21.510 0.000 -0.000) 21.510 12.025 ( -19.083 0.000 0.000) 19.083 12.171 ( -20.807 0.000 0.000) 20.807 12.206 ( -23.423 0.000 0.000) 23.423 12.287 ( -22.580 0.000 0.000) 22.580 12.289 ( -4.923 0.000 0.000) 4.923 12.478 ( -22.706 0.000 0.000) 22.706 12.654 ( -16.688 0.000 0.000) 16.688 12.841 ( -21.874 0.000 0.000) 21.874 12.913 ( -1.979 0.000 -0.000) 1.979 13.251 ( -15.809 0.000 0.000) 15.809 13.253 ( -13.984 0.000 0.000) 13.984 13.275 ( 0.725 0.000 0.000) 0.725 13.559 ( -10.787 0.000 -0.000) 10.787 13.759 ( -7.206 0.000 -0.000) 7.206 13.891 ( -3.986 0.000 0.000) 3.986 13.940 ( 3.002 0.000 0.000) 3.002 15.958 ( 5.266 0.000 -0.000) 5.266 16.079 ( 5.736 0.000 0.000) 5.736 16.148 ( 3.117 0.000 0.000) 3.117 16.295 ( 2.822 0.000 -0.000) 2.822 16.371 ( 3.057 0.000 -0.000) 3.057 16.489 ( 3.736 0.000 -0.000) 3.736 16.614 ( 0.349 0.000 0.000) 0.349 16.735 ( -1.682 0.000 0.000) 1.682 16.885 ( -2.881 0.000 0.000) 2.881 ======================= Grid point 181 (35/56) ======================= q-point: ( 0.46 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 2.219 0.000 0.000) 2.219 2.703 ( 8.407 0.000 0.000) 8.407 2.828 ( 8.960 0.000 0.000) 8.960 2.829 ( 9.530 0.000 0.000) 9.530 2.842 ( 6.011 0.000 0.000) 6.011 2.855 ( 2.611 0.000 -0.000) 2.611 2.864 ( 3.609 0.000 -0.000) 3.609 2.896 ( 1.019 0.000 0.000) 1.019 2.925 ( 7.081 0.000 0.000) 7.081 2.935 ( -3.401 0.000 0.000) 3.401 2.973 ( -5.975 0.000 -0.000) 5.975 3.003 ( -7.673 0.000 0.000) 7.673 3.054 ( 15.313 0.000 0.000) 15.313 3.154 ( 0.527 0.000 0.000) 0.527 3.228 ( -3.249 0.000 0.000) 3.249 3.306 ( 28.052 0.000 0.000) 28.052 3.364 ( -13.855 0.000 0.000) 13.855 3.561 ( 2.697 0.000 -0.000) 2.697 3.918 ( -27.573 0.000 -0.000) 27.573 3.954 ( -20.489 0.000 0.000) 20.489 4.766 ( 4.424 0.000 0.000) 4.424 4.875 ( 11.022 0.000 -0.000) 11.022 5.022 ( -1.101 0.000 0.000) 1.101 5.045 ( 6.840 0.000 -0.000) 6.840 5.126 ( -0.547 0.000 0.000) 0.547 5.170 ( 0.063 0.000 -0.000) 0.063 5.193 ( 7.519 0.000 0.000) 7.519 5.292 ( -0.624 0.000 0.000) 0.624 5.317 ( 1.017 0.000 0.000) 1.017 5.384 ( 0.869 0.000 -0.000) 0.869 5.731 ( 2.179 0.000 -0.000) 2.179 7.307 ( 2.846 0.000 0.000) 2.846 7.659 ( 13.666 0.000 -0.000) 13.666 7.951 ( -9.368 0.000 0.000) 9.368 8.045 ( 0.526 0.000 -0.000) 0.526 8.331 ( -2.180 0.000 -0.000) 2.180 9.016 ( 9.376 0.000 -0.000) 9.376 9.242 ( -12.288 0.000 0.000) 12.288 9.478 ( -1.803 0.000 0.000) 1.803 9.948 ( -2.262 0.000 -0.000) 2.262 10.006 ( 17.835 0.000 0.000) 17.835 10.176 ( 22.252 0.000 0.000) 22.252 10.236 ( -3.984 0.000 0.000) 3.984 10.362 ( 15.339 0.000 0.000) 15.339 10.458 ( 15.551 0.000 0.000) 15.551 10.499 ( 9.677 0.000 0.000) 9.677 10.528 ( 27.877 0.000 0.000) 27.877 10.637 ( 19.879 0.000 0.000) 19.879 10.666 ( 6.370 0.000 0.000) 6.370 10.703 ( 22.817 0.000 -0.000) 22.817 10.835 ( 4.377 0.000 0.000) 4.377 10.912 ( 22.157 0.000 -0.000) 22.157 11.118 ( -27.602 0.000 0.000) 27.602 11.159 ( -11.524 0.000 -0.000) 11.524 11.172 ( 3.105 0.000 -0.000) 3.105 11.282 ( 1.471 0.000 0.000) 1.471 11.348 ( -11.101 0.000 0.000) 11.101 11.404 ( -11.558 0.000 -0.000) 11.558 11.529 ( 2.800 0.000 -0.000) 2.800 11.597 ( -2.493 0.000 0.000) 2.493 11.686 ( -17.576 0.000 0.000) 17.576 11.704 ( -8.388 0.000 0.000) 8.388 11.770 ( -5.763 0.000 -0.000) 5.763 11.789 ( -4.512 0.000 0.000) 4.512 11.840 ( -10.137 0.000 -0.000) 10.137 11.881 ( -14.333 0.000 -0.000) 14.333 12.038 ( -20.653 0.000 0.000) 20.653 12.181 ( -2.955 0.000 -0.000) 2.955 12.328 ( -13.714 0.000 0.000) 13.714 12.706 ( 4.608 0.000 0.000) 4.608 12.830 ( -7.520 0.000 -0.000) 7.520 12.998 ( -8.191 0.000 0.000) 8.191 13.100 ( 0.573 0.000 -0.000) 0.573 13.219 ( -7.572 0.000 0.000) 7.572 13.452 ( 1.721 0.000 0.000) 1.721 13.591 ( -7.112 0.000 -0.000) 7.112 13.773 ( -5.661 0.000 0.000) 5.661 14.015 ( 2.746 0.000 0.000) 2.746 16.050 ( 2.928 0.000 -0.000) 2.928 16.177 ( 3.127 0.000 0.000) 3.127 16.205 ( 1.908 0.000 0.000) 1.908 16.358 ( 2.667 0.000 -0.000) 2.667 16.412 ( 0.737 0.000 0.000) 0.737 16.580 ( 4.407 0.000 -0.000) 4.407 16.658 ( 0.238 0.000 0.000) 0.238 16.705 ( 1.029 0.000 0.000) 1.029 16.816 ( -3.790 0.000 0.000) 3.790 ======================= Grid point 197 (36/56) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 13.583 13.583 0.000) 19.210 0.865 ( 12.520 12.520 -0.000) 17.705 0.888 ( 11.194 11.194 -0.000) 15.830 0.990 ( 12.143 12.143 0.000) 17.172 1.492 ( 9.712 9.712 -0.000) 13.735 1.756 ( 22.942 22.942 0.000) 32.445 1.780 ( 15.731 15.731 0.000) 22.247 1.789 ( 20.205 20.205 0.000) 28.574 1.926 ( 25.144 25.144 0.000) 35.559 1.933 ( 29.044 29.044 -0.000) 41.075 2.379 ( 8.608 8.608 0.000) 12.173 2.437 ( 9.905 9.905 0.000) 14.007 2.584 ( 5.192 5.192 -0.000) 7.343 2.689 ( 8.572 8.572 -0.000) 12.122 2.969 ( 11.177 11.177 -0.000) 15.807 3.070 ( 3.731 3.731 -0.000) 5.276 3.138 ( 7.503 7.503 -0.000) 10.610 3.315 ( 5.959 5.959 0.000) 8.428 3.349 ( 7.165 7.165 -0.000) 10.132 3.378 ( 5.053 5.053 0.000) 7.146 3.457 ( 1.817 1.817 0.000) 2.570 3.582 ( 8.090 8.090 0.000) 11.440 3.722 ( 9.468 9.468 -0.000) 13.389 3.732 ( 9.232 9.232 0.000) 13.056 4.492 ( 3.092 3.092 0.000) 4.373 4.891 ( -0.132 -0.132 0.000) 0.186 5.502 ( 9.136 9.136 0.000) 12.920 5.553 ( -3.157 -3.157 0.000) 4.465 5.799 ( 13.976 13.976 0.000) 19.765 5.824 ( -5.226 -5.226 0.000) 7.391 6.157 ( -6.311 -6.311 -0.000) 8.926 6.290 ( -8.139 -8.139 0.000) 11.510 6.638 ( 3.705 3.705 0.000) 5.240 7.114 ( 4.452 4.452 0.000) 6.296 7.881 ( 5.805 5.805 0.000) 8.210 7.924 ( 6.966 6.966 0.000) 9.851 7.957 ( 8.290 8.290 -0.000) 11.723 8.085 ( 7.913 7.913 0.000) 11.191 8.112 ( 0.400 0.400 0.000) 0.566 8.142 ( 0.601 0.601 -0.000) 0.851 8.161 ( -1.025 -1.025 0.000) 1.450 8.217 ( 0.605 0.605 0.000) 0.856 8.307 ( -1.370 -1.370 -0.000) 1.938 8.321 ( -1.042 -1.042 0.000) 1.473 8.515 ( 2.099 2.099 0.000) 2.969 8.720 ( 22.145 22.145 0.000) 31.318 8.818 ( 23.908 23.908 -0.000) 33.811 8.948 ( 26.185 26.185 0.000) 37.032 9.008 ( 14.017 14.017 0.000) 19.824 9.107 ( 21.122 21.122 -0.000) 29.870 9.177 ( 24.322 24.322 0.000) 34.397 9.543 ( 1.282 1.282 0.000) 1.813 9.847 ( 1.946 1.946 0.000) 2.752 10.059 ( 6.939 6.939 0.000) 9.814 10.806 ( 3.445 3.445 0.000) 4.873 11.639 ( 2.748 2.748 0.000) 3.886 12.495 ( 0.998 0.998 0.000) 1.412 12.656 ( -4.696 -4.696 0.000) 6.641 12.665 ( -4.629 -4.629 0.000) 6.546 12.841 ( -6.598 -6.598 0.000) 9.331 12.856 ( -6.688 -6.688 0.000) 9.458 12.987 ( -8.823 -8.823 0.000) 12.477 13.049 ( -8.195 -8.195 0.000) 11.589 13.056 ( -6.861 -6.861 -0.000) 9.704 13.103 ( -8.633 -8.633 0.000) 12.209 13.177 ( -8.598 -8.598 0.000) 12.160 13.268 ( -4.696 -4.696 -0.000) 6.640 13.419 ( 9.321 9.321 0.000) 13.181 13.482 ( 1.615 1.615 0.000) 2.283 13.487 ( 6.805 6.805 0.000) 9.624 13.499 ( 4.042 4.042 -0.000) 5.716 13.526 ( 2.152 2.152 0.000) 3.043 13.542 ( 3.453 3.453 0.000) 4.883 13.686 ( 0.969 0.969 -0.037) 1.370 13.686 ( 0.986 0.986 0.037) 1.396 13.932 ( -3.994 -3.994 0.000) 5.648 14.085 ( -4.744 -4.744 0.000) 6.710 14.822 ( 14.943 14.943 0.000) 21.132 16.295 ( -17.742 -17.742 0.000) 25.092 16.711 ( -12.623 -12.623 0.000) 17.852 16.802 ( -4.646 -4.646 -0.000) 6.570 16.869 ( -1.361 -1.361 0.000) 1.924 16.875 ( -16.674 -16.674 -0.000) 23.581 16.967 ( -14.327 -14.327 0.000) 20.261 17.117 ( -11.329 -11.329 0.000) 16.021 17.340 ( -10.591 -10.591 0.000) 14.978 17.362 ( -8.634 -8.634 0.000) 12.211 ======================= Grid point 199 (37/56) ======================= q-point: ( 0.15 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 21.435 3.511 -0.000) 21.721 1.175 ( 20.973 5.693 0.000) 21.732 1.281 ( 25.351 -0.471 0.000) 25.355 1.335 ( 22.864 3.742 0.000) 23.168 1.773 ( 17.251 5.418 -0.000) 18.082 1.990 ( 8.273 6.197 0.000) 10.337 2.010 ( 13.711 8.483 0.000) 16.123 2.206 ( 16.875 11.681 0.000) 20.524 2.505 ( 8.488 12.538 0.000) 15.141 2.602 ( 23.668 14.511 0.000) 27.762 2.659 ( 35.562 25.940 0.000) 44.017 2.719 ( 17.361 15.748 0.000) 23.439 2.783 ( 22.205 9.776 0.000) 24.262 2.896 ( 13.624 9.543 -0.000) 16.634 3.093 ( 1.722 7.329 0.000) 7.529 3.197 ( 4.945 1.108 -0.000) 5.067 3.384 ( 9.570 7.092 -0.000) 11.911 3.419 ( 5.941 6.207 -0.000) 8.593 3.453 ( 11.219 6.324 0.000) 12.879 3.568 ( 9.534 7.664 0.000) 12.233 3.635 ( 18.287 6.808 0.000) 19.513 3.777 ( 13.370 12.030 0.000) 17.985 3.949 ( 17.477 9.749 -0.000) 20.012 4.064 ( 18.437 4.471 0.000) 18.971 4.606 ( 8.958 1.855 0.000) 9.148 4.904 ( 1.860 0.095 0.000) 1.863 5.462 ( -4.933 0.251 0.000) 4.940 5.506 ( -3.908 18.133 0.000) 18.549 5.690 ( -8.045 -4.736 0.000) 9.335 5.944 ( -11.665 -6.227 -0.000) 13.223 6.058 ( -14.969 -6.475 0.000) 16.309 6.274 ( 22.567 -1.530 0.000) 22.619 6.757 ( 8.539 3.419 -0.000) 9.198 7.254 ( 9.606 4.165 -0.000) 10.470 8.002 ( 9.953 -3.185 0.000) 10.450 8.082 ( 7.035 1.369 0.000) 7.166 8.120 ( 10.148 1.421 0.000) 10.247 8.200 ( 8.116 -8.906 0.000) 12.049 8.223 ( 8.787 -14.650 0.000) 17.083 8.267 ( 12.390 -16.528 -0.000) 20.657 8.341 ( 15.326 -17.226 -0.000) 23.057 8.377 ( 14.447 -15.969 0.000) 21.534 8.450 ( 15.722 -14.229 0.000) 21.205 8.514 ( 15.467 -10.796 -0.000) 18.862 8.586 ( 6.714 -0.249 0.000) 6.718 9.090 ( 0.848 -0.178 0.000) 0.866 9.209 ( 26.710 27.173 0.000) 38.102 9.347 ( 29.036 29.620 -0.000) 41.478 9.511 ( 28.980 30.108 0.000) 41.790 9.578 ( 5.935 8.092 0.000) 10.035 9.682 ( 28.547 28.652 0.000) 40.446 9.748 ( 29.642 23.937 0.000) 38.100 10.017 ( 13.096 9.437 -0.000) 16.142 10.264 ( 13.526 6.608 0.000) 15.054 10.864 ( 1.405 2.370 0.000) 2.755 11.636 ( -3.581 3.281 0.000) 4.857 12.405 ( -10.674 -2.996 0.000) 11.087 12.464 ( -12.530 -5.819 0.000) 13.815 12.593 ( -5.033 -11.703 0.000) 12.740 12.610 ( -14.496 -10.988 0.000) 18.190 12.731 ( -9.416 -16.101 0.000) 18.652 12.767 ( -18.050 -15.557 0.000) 23.829 12.774 ( -14.143 -16.111 0.000) 21.438 12.830 ( -13.608 -14.010 0.000) 19.531 12.911 ( -11.529 -17.247 0.000) 20.745 12.996 ( -9.066 -11.614 0.000) 14.733 13.193 ( -4.632 4.260 -0.000) 6.293 13.454 ( -4.405 5.765 0.000) 7.256 13.474 ( -4.424 11.518 0.000) 12.338 13.554 ( 1.401 9.789 0.000) 9.889 13.595 ( 1.037 9.072 0.000) 9.131 13.642 ( 3.086 12.441 0.000) 12.818 13.653 ( 11.678 14.033 0.000) 18.257 13.696 ( 8.394 12.077 0.000) 14.708 13.797 ( 6.588 5.004 0.000) 8.273 13.852 ( -5.699 -4.073 0.000) 7.005 13.998 ( -4.770 -1.959 0.000) 5.157 14.868 ( -9.161 24.569 0.000) 26.221 15.989 ( -10.155 -12.714 0.000) 16.272 16.401 ( -16.153 -10.882 0.000) 19.476 16.459 ( -23.292 -12.760 -0.000) 26.558 16.603 ( -20.742 -12.162 0.000) 24.045 16.743 ( -2.341 -3.267 0.000) 4.019 16.820 ( -16.856 -10.081 0.000) 19.640 16.885 ( 1.150 -2.283 -0.000) 2.557 17.059 ( -17.230 -9.736 -0.000) 19.790 17.133 ( -14.016 -8.149 0.000) 16.213 ======================= Grid point 201 (38/56) ======================= q-point: ( 0.23 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 22.170 5.246 -0.000) 22.782 1.625 ( 23.692 1.760 0.000) 23.757 1.792 ( 23.573 -2.263 -0.000) 23.681 1.802 ( 24.763 -0.399 0.000) 24.766 2.106 ( 15.434 3.899 -0.000) 15.919 2.167 ( 11.491 6.494 0.000) 13.199 2.295 ( 14.547 9.096 0.000) 17.157 2.457 ( 10.077 6.774 0.000) 12.142 2.653 ( 7.129 11.441 0.000) 13.480 2.768 ( 4.923 4.949 -0.000) 6.981 2.982 ( 7.851 9.343 0.000) 12.204 3.014 ( 4.527 3.978 -0.000) 6.026 3.126 ( 4.446 7.736 -0.000) 8.923 3.219 ( -0.628 3.911 -0.000) 3.961 3.354 ( -2.073 3.664 0.000) 4.210 3.454 ( 29.647 19.138 -0.000) 35.288 3.464 ( 32.356 18.639 0.000) 37.341 3.527 ( 6.526 9.005 0.000) 11.121 3.781 ( 13.241 9.946 0.000) 16.561 3.811 ( 15.410 12.132 -0.000) 19.612 4.067 ( 23.848 6.359 -0.000) 24.681 4.105 ( 18.996 9.307 0.000) 21.154 4.317 ( 18.698 8.253 0.000) 20.438 4.410 ( 16.598 4.442 0.000) 17.183 4.827 ( 12.143 0.097 0.000) 12.143 4.981 ( 6.530 -0.541 -0.000) 6.552 5.365 ( -4.594 -3.136 0.000) 5.563 5.429 ( -3.526 19.237 0.000) 19.558 5.527 ( -8.434 -3.890 -0.000) 9.288 5.660 ( -16.832 -5.082 -0.000) 17.582 5.722 ( -17.340 -5.939 0.000) 18.329 6.657 ( 16.479 -0.410 0.000) 16.484 6.963 ( 11.926 2.488 -0.000) 12.183 7.467 ( 11.631 2.875 -0.000) 11.981 8.185 ( 4.766 1.904 0.000) 5.132 8.295 ( 19.206 -16.100 0.000) 25.062 8.387 ( 16.491 -7.945 -0.000) 18.305 8.462 ( 17.630 -23.729 0.000) 29.561 8.495 ( 18.633 -26.040 0.000) 32.020 8.595 ( 20.710 -25.617 -0.000) 32.942 8.638 ( 4.477 -1.669 0.000) 4.778 8.698 ( 19.660 -23.655 0.000) 30.758 8.732 ( 15.875 -15.192 0.000) 21.973 8.801 ( 16.154 -19.149 0.000) 25.052 8.853 ( 17.435 -19.294 -0.000) 26.004 9.184 ( 13.088 -14.515 0.000) 19.544 9.644 ( 2.141 3.933 0.000) 4.478 9.760 ( 29.005 31.219 0.000) 42.614 9.916 ( 27.149 31.035 -0.000) 41.234 9.984 ( 11.865 14.852 0.000) 19.010 10.117 ( 21.423 26.154 0.000) 33.808 10.262 ( 16.592 14.885 -0.000) 22.290 10.388 ( 28.273 24.945 -0.000) 37.705 10.600 ( 19.440 14.396 0.000) 24.190 10.833 ( -4.063 0.869 0.000) 4.155 11.535 ( -4.682 2.582 0.000) 5.347 12.121 ( -17.738 -13.819 0.000) 22.486 12.171 ( -17.238 -13.423 0.000) 21.847 12.276 ( -19.302 -16.143 0.000) 25.163 12.333 ( -23.994 -25.044 0.000) 34.683 12.462 ( -16.798 -17.376 0.000) 24.168 12.485 ( -11.694 -18.684 0.000) 22.042 12.510 ( -10.736 -16.159 0.000) 19.400 12.535 ( -15.317 -19.028 0.000) 24.427 12.650 ( -15.206 -20.512 0.000) 25.534 12.796 ( -12.058 -8.037 0.000) 14.491 13.059 ( -8.970 8.333 -0.000) 12.243 13.297 ( -11.722 10.294 0.000) 15.600 13.350 ( -8.510 12.670 0.000) 15.262 13.519 ( -4.955 12.292 -0.000) 13.253 13.548 ( -5.833 14.297 0.000) 15.441 13.642 ( -11.764 0.065 0.000) 11.764 13.702 ( -2.860 11.388 0.000) 11.742 13.812 ( -0.911 10.393 0.000) 10.433 13.886 ( 3.079 11.587 -0.000) 11.989 13.911 ( 7.374 13.910 0.000) 15.743 13.955 ( 6.545 11.582 0.000) 13.303 14.606 ( -13.399 30.229 0.000) 33.066 15.894 ( -2.518 -7.268 0.000) 7.692 16.074 ( -12.787 -7.554 0.000) 14.851 16.154 ( -10.068 -7.278 0.000) 12.423 16.265 ( -8.705 -7.510 -0.000) 11.497 16.462 ( -16.149 -8.597 0.000) 18.295 16.713 ( -16.646 -8.093 -0.000) 18.509 16.744 ( 0.227 -1.682 0.000) 1.697 16.849 ( -13.602 -7.171 0.000) 15.376 16.910 ( 0.668 -2.043 -0.000) 2.150 ======================= Grid point 203 (39/56) ======================= q-point: ( 0.31 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 22.924 3.107 0.000) 23.134 2.092 ( 23.424 -0.327 0.000) 23.426 2.187 ( 18.202 0.600 0.000) 18.212 2.263 ( 21.480 0.800 0.000) 21.494 2.389 ( 14.619 6.470 -0.000) 15.987 2.426 ( 13.963 4.343 0.000) 14.622 2.563 ( 12.677 9.336 0.000) 15.744 2.649 ( 10.512 7.425 0.000) 12.869 2.778 ( 5.814 9.372 0.000) 11.029 2.857 ( 4.355 6.710 0.000) 8.000 3.024 ( -1.640 5.273 0.000) 5.522 3.057 ( 0.856 7.996 0.000) 8.042 3.180 ( -2.753 4.313 0.000) 5.117 3.191 ( 0.425 6.754 -0.000) 6.767 3.281 ( -4.456 3.974 0.000) 5.971 3.500 ( -1.871 10.146 0.000) 10.317 3.842 ( 2.942 13.077 0.000) 13.404 3.911 ( 2.579 10.634 0.000) 10.943 4.122 ( 22.060 12.324 0.000) 25.269 4.173 ( 27.129 16.228 -0.000) 31.612 4.472 ( 16.460 6.500 0.000) 17.697 4.482 ( 15.157 6.667 -0.000) 16.558 4.645 ( 15.110 6.894 0.000) 16.609 4.697 ( 12.087 3.497 0.000) 12.583 5.023 ( 7.780 -0.595 0.000) 7.803 5.136 ( 6.927 -1.688 -0.000) 7.130 5.279 ( -16.631 -3.471 0.000) 16.989 5.287 ( -8.763 -3.250 -0.000) 9.346 5.332 ( -3.970 -1.023 -0.000) 4.100 5.380 ( -3.467 14.609 -0.000) 15.014 5.563 ( 1.228 -2.679 -0.000) 2.947 6.946 ( 13.545 0.014 0.000) 13.545 7.196 ( 11.583 1.969 -0.000) 11.749 7.692 ( 11.032 1.767 -0.000) 11.172 8.254 ( 1.787 1.681 0.000) 2.454 8.590 ( -6.455 -0.631 -0.000) 6.486 8.705 ( 12.799 -11.732 0.000) 17.363 8.750 ( 22.448 -22.524 -0.000) 31.800 8.866 ( 21.178 -26.599 0.000) 34.000 8.871 ( 16.360 -12.919 -0.000) 20.846 8.929 ( 24.870 -32.923 -0.000) 41.261 9.053 ( 25.443 -30.754 -0.000) 39.914 9.161 ( 24.384 -29.281 0.000) 38.104 9.216 ( 22.149 -28.251 0.000) 35.899 9.316 ( 26.529 -26.246 0.000) 37.318 9.502 ( 15.578 -17.365 0.000) 23.328 9.642 ( -2.048 1.175 0.000) 2.361 10.031 ( 0.856 0.162 0.000) 0.872 10.281 ( 6.624 11.071 0.000) 12.901 10.360 ( 23.891 25.257 0.000) 34.766 10.478 ( 26.135 30.122 -0.000) 39.880 10.559 ( -2.938 6.150 0.000) 6.816 10.746 ( 13.707 15.428 0.000) 20.638 10.883 ( 21.913 22.491 -0.000) 31.401 11.049 ( 20.555 18.779 0.000) 27.842 11.521 ( 2.572 -0.839 0.000) 2.705 11.712 ( -23.674 -21.301 0.000) 31.847 11.777 ( -24.530 -29.089 0.000) 38.051 11.806 ( -25.391 -31.024 0.000) 40.090 11.925 ( -18.944 -18.038 0.000) 26.158 12.098 ( -20.481 -20.280 0.000) 28.823 12.135 ( -19.866 -17.368 0.000) 26.387 12.178 ( -19.106 -19.745 0.000) 27.475 12.299 ( -18.918 -20.361 0.000) 27.793 12.445 ( -4.200 -21.804 0.000) 22.204 12.550 ( -10.821 3.183 0.000) 11.280 12.864 ( -11.004 13.436 -0.000) 17.367 13.008 ( -17.404 12.971 -0.000) 21.706 13.122 ( -14.604 13.273 0.000) 19.734 13.290 ( -17.573 4.799 -0.000) 18.216 13.366 ( -15.581 12.145 0.000) 19.755 13.414 ( -6.532 12.767 0.000) 14.341 13.508 ( -14.064 13.204 0.000) 19.291 13.695 ( -9.881 12.132 0.000) 15.647 13.886 ( -4.598 12.987 0.000) 13.777 14.014 ( 0.129 13.956 -0.000) 13.957 14.071 ( 3.086 14.766 0.000) 15.085 14.436 ( -3.646 34.785 0.000) 34.975 15.852 ( 0.840 -4.510 -0.000) 4.587 15.977 ( 0.486 -3.697 0.000) 3.729 16.064 ( 1.895 -3.619 0.000) 4.085 16.252 ( -4.013 -5.029 -0.000) 6.434 16.274 ( 5.129 -1.952 -0.000) 5.488 16.470 ( -6.657 -4.987 -0.000) 8.318 16.635 ( -7.121 -5.254 0.000) 8.850 16.750 ( 0.046 -0.292 0.000) 0.296 16.913 ( -0.654 -0.866 -0.000) 1.085 ======================= Grid point 205 (40/56) ======================= q-point: ( 0.38 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.400 ( 16.275 1.982 0.000) 16.395 2.472 ( 14.342 5.018 0.000) 15.194 2.542 ( 17.112 -1.854 0.000) 17.212 2.611 ( 13.148 1.559 0.000) 13.240 2.669 ( 15.576 3.574 0.000) 15.980 2.737 ( 13.142 4.728 0.000) 13.967 2.834 ( 20.059 7.220 0.000) 21.319 2.879 ( 13.207 10.317 0.000) 16.759 2.895 ( 6.787 8.396 0.000) 10.796 2.935 ( 3.313 10.337 0.000) 10.855 2.977 ( -2.035 4.810 0.000) 5.223 3.048 ( -1.574 7.736 0.000) 7.895 3.103 ( -4.763 3.880 -0.000) 6.143 3.156 ( -4.451 4.135 0.000) 6.076 3.194 ( -3.047 6.881 0.000) 7.525 3.449 ( -3.038 12.917 0.000) 13.270 3.758 ( -9.694 13.576 0.000) 16.682 3.800 ( -10.729 8.743 -0.000) 13.840 4.317 ( -8.166 5.159 0.000) 9.659 4.427 ( -18.519 2.582 0.000) 18.698 4.650 ( 19.618 12.464 0.000) 23.242 4.717 ( 8.758 7.266 0.000) 11.380 4.884 ( 11.496 3.670 -0.000) 12.068 4.951 ( 13.452 3.082 0.000) 13.801 5.088 ( 2.046 1.814 0.000) 2.734 5.140 ( 4.656 1.566 -0.000) 4.912 5.235 ( 2.896 -1.290 -0.000) 3.171 5.258 ( 3.804 -0.687 0.000) 3.866 5.331 ( 0.535 7.995 0.000) 8.012 5.348 ( 0.354 5.296 -0.000) 5.308 5.654 ( 5.754 0.855 -0.000) 5.818 7.175 ( 9.124 -0.982 0.000) 9.177 7.424 ( 12.360 2.324 -0.000) 12.577 7.889 ( 8.841 1.081 -0.000) 8.907 8.218 ( -6.858 1.778 0.000) 7.084 8.424 ( -6.951 0.869 -0.000) 7.005 8.850 ( 6.522 -1.968 0.000) 6.813 9.258 ( 21.567 -23.266 -0.000) 31.724 9.269 ( 26.752 -28.639 0.000) 39.190 9.364 ( 24.218 -35.444 0.000) 42.927 9.406 ( 5.335 -15.882 0.000) 16.754 9.443 ( 20.137 -30.383 -0.000) 36.450 9.512 ( 5.503 -12.767 -0.000) 13.903 9.583 ( 25.212 -33.855 0.000) 42.212 9.706 ( 16.883 -21.532 0.000) 27.362 9.851 ( 22.946 -23.486 0.000) 32.835 9.862 ( 28.557 -25.153 -0.000) 38.055 10.079 ( 2.724 -3.581 0.000) 4.499 10.286 ( -2.161 -12.427 0.000) 12.614 10.402 ( -2.420 -8.995 0.000) 9.315 10.857 ( 8.316 11.773 0.000) 14.414 10.898 ( 20.598 24.016 -0.000) 31.639 11.073 ( 13.672 14.442 0.000) 19.888 11.161 ( -21.068 -27.063 -0.000) 34.297 11.230 ( -6.999 -10.692 0.000) 12.779 11.272 ( -14.695 -22.938 -0.000) 27.241 11.322 ( -14.440 -17.685 0.000) 22.831 11.386 ( 5.254 8.790 0.000) 10.241 11.503 ( -15.202 -20.524 -0.000) 25.540 11.670 ( -8.532 -10.733 -0.000) 13.710 11.696 ( -16.210 -18.721 0.000) 24.764 11.786 ( -6.061 -1.536 0.000) 6.253 11.828 ( -12.947 -13.945 -0.000) 19.029 11.933 ( -16.248 -14.512 0.000) 21.786 12.273 ( -8.604 -9.021 0.000) 12.466 12.491 ( -2.612 7.226 0.000) 7.683 12.575 ( -16.883 16.626 0.000) 23.695 12.647 ( -19.069 15.486 -0.000) 24.565 12.810 ( -16.570 12.428 -0.000) 20.713 12.975 ( -14.970 4.642 0.000) 15.674 13.090 ( -16.086 15.440 -0.000) 22.297 13.126 ( -8.625 17.560 0.000) 19.564 13.422 ( -4.965 11.792 0.000) 12.795 13.435 ( -9.700 13.376 0.000) 16.523 13.710 ( -11.549 11.762 -0.000) 16.484 13.917 ( -9.086 12.215 -0.000) 15.224 14.043 ( -5.477 12.767 0.000) 13.892 14.436 ( 2.383 36.262 0.000) 36.340 15.937 ( 6.406 -1.594 -0.000) 6.602 16.066 ( 6.831 -0.830 0.000) 6.881 16.130 ( 4.167 -1.197 0.000) 4.336 16.276 ( 4.120 -1.406 -0.000) 4.353 16.366 ( 3.848 -0.136 0.000) 3.850 16.474 ( 5.048 -1.096 -0.000) 5.166 16.587 ( 1.929 -2.196 0.000) 2.923 16.738 ( -1.411 0.634 0.000) 1.547 16.881 ( -2.588 -0.017 0.000) 2.588 ======================= Grid point 207 (41/56) ======================= q-point: ( 0.46 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.589 ( 3.963 9.118 0.000) 9.942 2.711 ( 9.268 1.923 0.000) 9.466 2.819 ( 11.153 -0.094 0.000) 11.153 2.837 ( 8.459 1.109 0.000) 8.531 2.864 ( 5.758 3.012 0.000) 6.498 2.879 ( 3.240 3.222 -0.000) 4.569 2.925 ( -0.482 3.450 0.000) 3.484 2.961 ( -3.805 2.383 0.000) 4.489 2.994 ( -4.356 4.932 -0.000) 6.580 3.014 ( -3.742 6.559 -0.000) 7.551 3.029 ( -5.476 6.099 0.000) 8.197 3.064 ( 7.554 13.927 0.000) 15.844 3.169 ( 8.601 11.654 0.000) 14.484 3.238 ( 12.719 9.567 0.000) 15.915 3.348 ( 27.792 3.809 0.000) 28.052 3.376 ( -6.545 13.931 0.000) 15.392 3.528 ( -12.471 14.334 0.000) 19.000 3.629 ( 0.219 6.228 -0.000) 6.232 3.931 ( -28.077 1.147 -0.000) 28.100 3.980 ( -20.160 2.322 0.000) 20.293 4.834 ( 3.577 6.403 0.000) 7.335 4.957 ( 9.580 8.423 -0.000) 12.756 5.084 ( 3.822 6.212 -0.000) 7.293 5.098 ( 4.659 5.808 0.000) 7.446 5.191 ( -0.452 2.698 -0.000) 2.736 5.196 ( 6.546 1.288 0.000) 6.672 5.280 ( -0.463 0.316 0.000) 0.560 5.301 ( 1.426 3.031 0.000) 3.350 5.337 ( 0.444 12.236 0.000) 12.244 5.372 ( 0.974 -1.124 -0.000) 1.488 5.739 ( 2.365 1.583 -0.000) 2.846 7.288 ( 2.620 -1.865 0.000) 3.216 7.684 ( 13.573 2.518 -0.000) 13.805 7.972 ( -8.256 1.950 0.000) 8.483 8.055 ( -0.427 1.001 -0.000) 1.088 8.343 ( -2.163 1.112 -0.000) 2.433 9.001 ( 9.076 -1.906 -0.000) 9.274 9.213 ( -11.178 -3.390 0.000) 11.681 9.439 ( -1.347 -4.645 0.000) 4.836 9.680 ( 13.578 -24.564 -0.000) 28.067 9.818 ( 25.121 -30.526 0.000) 39.533 9.913 ( 10.351 -18.637 0.000) 21.319 9.921 ( 23.820 -33.947 0.000) 41.470 9.978 ( 21.127 -32.751 -0.000) 38.974 10.032 ( 17.070 -30.503 -0.000) 34.955 10.172 ( -1.114 -18.498 0.000) 18.531 10.191 ( 3.853 -21.156 -0.000) 21.504 10.248 ( 8.017 -25.090 0.000) 26.339 10.347 ( 4.984 -28.294 0.000) 28.730 10.466 ( -0.945 -29.373 0.000) 29.388 10.571 ( -12.228 -33.009 -0.000) 35.202 10.721 ( -7.493 -28.187 0.000) 29.166 10.883 ( -10.195 -29.676 0.000) 31.378 10.942 ( -10.325 -19.744 -0.000) 22.280 11.006 ( -21.727 -20.159 0.000) 29.639 11.088 ( -17.943 -24.106 0.000) 30.050 11.112 ( -8.548 -17.047 -0.000) 19.070 11.340 ( -8.685 -21.404 0.000) 23.099 11.474 ( -8.384 -10.221 0.000) 13.220 11.576 ( 23.060 22.411 0.000) 32.156 11.686 ( 11.524 5.625 -0.000) 12.824 11.806 ( 15.755 16.767 -0.000) 23.007 11.886 ( -0.789 11.145 -0.000) 11.173 11.942 ( 15.547 17.965 0.000) 23.758 12.084 ( -23.113 23.306 -0.000) 32.823 12.164 ( -7.376 16.491 -0.000) 18.065 12.243 ( -20.596 21.000 0.000) 29.415 12.448 ( -11.507 -12.511 0.000) 16.998 12.585 ( 0.418 17.819 -0.000) 17.824 12.701 ( -12.722 9.895 0.000) 16.118 12.927 ( 2.235 16.228 0.000) 16.381 13.017 ( -7.378 14.937 -0.000) 16.660 13.256 ( -0.728 12.618 -0.000) 12.639 13.364 ( -7.124 11.799 0.000) 13.783 13.589 ( 0.935 11.219 0.000) 11.257 13.731 ( -7.294 11.713 -0.000) 13.798 13.910 ( -5.909 11.496 0.000) 12.926 14.485 ( 1.728 35.712 0.000) 35.754 16.042 ( 3.278 -0.163 -0.000) 3.282 16.178 ( 3.522 0.543 0.000) 3.564 16.201 ( 2.200 0.175 0.000) 2.207 16.357 ( 3.210 0.412 -0.000) 3.236 16.417 ( 0.953 0.950 0.000) 1.346 16.581 ( 5.146 0.477 -0.000) 5.168 16.657 ( 0.939 0.393 0.000) 1.018 16.708 ( 0.967 0.649 0.000) 1.165 16.813 ( -4.113 0.050 0.000) 4.113 ======================= Grid point 225 (42/56) ======================= q-point: ( 0.15 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 15.652 15.652 0.000) 22.135 1.411 ( 14.903 14.903 -0.000) 21.076 1.424 ( 15.405 15.405 0.000) 21.785 1.527 ( 14.963 14.963 0.000) 21.161 1.964 ( 13.314 13.314 -0.000) 18.829 2.117 ( 7.699 7.699 0.000) 10.888 2.239 ( 13.867 13.867 0.000) 19.611 2.426 ( 9.892 9.892 0.000) 13.990 2.716 ( 6.779 6.779 0.000) 9.587 2.808 ( 9.233 9.233 -0.000) 13.058 2.890 ( 11.554 11.554 0.000) 16.340 3.096 ( 10.516 10.516 -0.000) 14.872 3.172 ( 9.695 9.695 0.000) 13.711 3.239 ( 6.990 6.990 -0.000) 9.885 3.328 ( 24.080 24.080 0.000) 34.054 3.361 ( 32.369 32.369 -0.000) 45.777 3.444 ( 2.473 2.473 0.000) 3.498 3.566 ( 7.624 7.624 0.000) 10.782 3.694 ( 16.870 16.870 -0.000) 23.857 3.843 ( 17.388 17.388 -0.000) 24.590 3.846 ( 16.119 16.119 0.000) 22.795 4.054 ( 15.307 15.307 0.000) 21.647 4.217 ( 14.731 14.731 -0.000) 20.833 4.249 ( 16.395 16.395 0.000) 23.186 4.675 ( 5.730 5.730 0.000) 8.104 4.916 ( 1.403 1.403 0.000) 1.985 5.379 ( -5.535 -5.535 0.000) 7.828 5.564 ( -7.817 -7.817 0.000) 11.054 5.765 ( -11.516 -11.516 -0.000) 16.285 5.858 ( -6.455 -6.455 0.000) 9.129 5.879 ( 2.398 2.398 0.000) 3.391 6.330 ( 11.470 11.470 0.000) 16.221 6.860 ( 7.127 7.127 0.000) 10.079 7.373 ( 7.704 7.704 -0.000) 10.895 7.963 ( -2.437 -2.437 -0.000) 3.446 8.006 ( -2.043 -2.043 0.000) 2.889 8.019 ( -4.507 -4.507 0.000) 6.374 8.058 ( -1.796 -1.796 0.000) 2.539 8.111 ( -1.370 -1.370 0.000) 1.937 8.176 ( -0.182 -0.182 0.000) 0.257 8.241 ( 4.834 4.834 -0.000) 6.836 8.241 ( -2.311 -2.311 0.000) 3.269 8.296 ( 1.116 1.116 0.000) 1.579 8.307 ( -0.433 -0.433 -0.000) 0.613 8.637 ( 3.883 3.883 -0.000) 5.492 9.028 ( -4.305 -4.305 0.000) 6.088 9.663 ( 3.738 3.738 0.000) 5.286 9.785 ( 30.389 30.389 0.000) 42.976 9.957 ( 31.705 31.705 -0.000) 44.838 10.021 ( 10.657 10.657 0.000) 15.072 10.180 ( 31.194 31.194 0.000) 44.115 10.240 ( 11.639 11.639 -0.000) 16.461 10.375 ( 33.205 33.205 -0.000) 46.960 10.574 ( 22.912 22.912 0.000) 32.403 10.884 ( -1.274 -1.274 0.000) 1.802 11.613 ( -7.108 -7.108 0.000) 10.052 12.161 ( -21.168 -21.168 0.000) 29.936 12.249 ( -17.547 -17.547 -0.000) 24.815 12.255 ( -18.489 -18.489 0.000) 26.148 12.308 ( -27.355 -27.355 0.000) 38.686 12.363 ( -17.786 -17.786 -0.000) 25.154 12.366 ( -17.107 -17.107 0.000) 24.193 12.444 ( -18.454 -18.454 0.000) 26.097 12.519 ( -17.875 -17.875 -0.000) 25.279 12.589 ( -14.903 -14.903 0.000) 21.076 12.887 ( -1.965 -1.965 0.000) 2.779 13.267 ( 1.054 1.054 -0.000) 1.491 13.516 ( 0.352 0.352 -0.000) 0.497 13.627 ( 2.053 2.053 0.000) 2.903 13.668 ( 3.319 3.319 0.000) 4.694 13.737 ( 4.235 4.235 0.000) 5.989 13.800 ( 0.998 0.998 0.000) 1.412 13.889 ( 8.090 8.090 0.000) 11.441 13.899 ( 4.968 4.968 -0.000) 7.026 13.964 ( 13.078 13.078 -0.000) 18.495 13.983 ( 13.563 13.563 0.000) 19.181 14.014 ( 8.129 8.129 -0.000) 11.496 15.219 ( 7.313 7.313 0.000) 10.342 15.733 ( -8.433 -8.433 -0.000) 11.927 16.148 ( -16.767 -16.767 -0.000) 23.711 16.168 ( -11.072 -11.072 0.000) 15.659 16.301 ( -16.517 -16.517 -0.000) 23.359 16.544 ( -16.071 -16.071 0.000) 22.727 16.707 ( -0.693 -0.693 0.000) 0.980 16.804 ( -15.393 -15.393 -0.000) 21.769 16.867 ( 0.471 0.471 -0.000) 0.666 16.918 ( -13.020 -13.020 0.000) 18.414 ======================= Grid point 227 (43/56) ======================= q-point: ( 0.23 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 20.742 8.618 -0.000) 22.461 1.745 ( 19.627 11.103 0.000) 22.549 1.816 ( 22.667 6.549 0.000) 23.594 1.890 ( 21.053 8.524 0.000) 22.713 2.231 ( 13.032 8.244 0.000) 15.420 2.326 ( 13.671 10.517 0.000) 17.248 2.526 ( 14.909 13.617 0.000) 20.192 2.600 ( 8.796 7.164 0.000) 11.344 2.822 ( 4.558 5.488 0.000) 7.134 2.937 ( 5.440 9.206 -0.000) 10.693 3.096 ( 5.635 6.907 0.000) 8.914 3.217 ( 2.643 8.279 -0.000) 8.690 3.277 ( 5.517 8.377 0.000) 10.031 3.354 ( 4.340 11.178 -0.000) 11.991 3.422 ( -1.161 3.209 0.000) 3.412 3.690 ( 6.646 12.132 0.000) 13.833 3.902 ( 25.154 23.736 0.000) 34.585 3.988 ( 22.733 24.973 0.000) 33.770 4.041 ( 21.324 19.460 0.000) 28.869 4.152 ( 16.705 21.063 -0.000) 26.883 4.258 ( 21.799 13.324 -0.000) 25.549 4.365 ( 16.463 16.216 0.000) 23.108 4.541 ( 17.353 12.521 -0.000) 21.399 4.580 ( 15.628 15.033 0.000) 21.684 4.842 ( 10.514 1.829 0.000) 10.672 4.973 ( 4.943 -0.128 -0.000) 4.944 5.271 ( -4.729 -6.264 0.000) 7.849 5.404 ( -8.346 -7.959 -0.000) 11.533 5.503 ( -14.373 -10.666 -0.000) 17.898 5.552 ( -17.428 -11.405 0.000) 20.828 5.889 ( -2.856 23.628 0.000) 23.800 6.655 ( 17.124 0.939 0.000) 17.149 7.031 ( 10.089 4.073 0.000) 10.880 7.541 ( 9.242 3.990 -0.000) 10.067 7.990 ( 6.702 -13.424 0.000) 15.004 8.034 ( 6.362 -16.639 0.000) 17.814 8.058 ( 7.682 -16.427 -0.000) 18.135 8.160 ( 10.513 -17.047 0.000) 20.028 8.212 ( 2.956 -2.919 0.000) 4.154 8.230 ( 8.648 -13.866 0.000) 16.341 8.293 ( 11.316 -12.905 0.000) 17.164 8.331 ( 10.994 -12.929 0.000) 16.972 8.422 ( 12.443 -8.873 0.000) 15.283 8.531 ( 12.397 -17.440 0.000) 21.397 8.726 ( 5.642 1.614 0.000) 5.868 8.940 ( -3.940 -6.707 0.000) 7.779 9.696 ( -0.871 0.778 0.000) 1.168 10.094 ( -1.172 2.121 0.000) 2.423 10.374 ( 19.034 21.868 0.000) 28.992 10.393 ( 14.132 15.567 -0.000) 21.025 10.555 ( 27.021 29.611 -0.000) 40.087 10.728 ( 3.196 10.764 -0.000) 11.228 10.799 ( 15.653 16.616 0.000) 22.828 10.966 ( 21.304 26.575 -0.000) 34.060 11.037 ( 23.102 21.896 -0.000) 31.830 11.397 ( -11.589 -18.083 0.000) 21.478 11.664 ( -28.013 -32.231 0.000) 42.703 11.719 ( -32.276 -34.761 0.000) 47.435 11.771 ( -25.813 -20.546 0.000) 32.992 11.946 ( -19.310 -21.711 0.000) 29.056 12.009 ( -13.894 -27.391 0.000) 30.713 12.028 ( -19.764 -24.792 0.000) 31.706 12.069 ( -19.519 -24.633 0.000) 31.429 12.160 ( -18.613 -20.530 0.000) 27.711 12.318 ( -13.406 -10.442 0.000) 16.993 12.813 ( -6.061 2.767 0.000) 6.663 13.216 ( -5.805 5.148 -0.000) 7.759 13.454 ( -6.914 5.145 -0.000) 8.618 13.563 ( -6.942 7.602 0.000) 10.295 13.653 ( -7.690 2.494 -0.000) 8.084 13.729 ( -3.501 7.043 0.000) 7.865 13.765 ( -3.943 6.229 0.000) 7.372 13.897 ( -3.978 5.602 0.000) 6.871 14.005 ( 1.734 10.026 0.000) 10.175 14.141 ( 5.159 12.253 -0.000) 13.295 14.221 ( 9.040 14.980 -0.000) 17.496 14.254 ( 10.767 16.184 0.000) 19.439 15.157 ( -7.007 24.373 0.000) 25.360 15.720 ( 1.548 -8.954 0.000) 9.086 15.920 ( -4.478 -6.225 0.000) 7.669 15.972 ( -7.147 -9.737 0.000) 12.079 16.128 ( 1.521 -4.324 -0.000) 4.584 16.251 ( -11.770 -11.450 0.000) 16.420 16.511 ( -12.860 -11.340 -0.000) 17.145 16.667 ( -11.419 -10.436 0.000) 15.469 16.724 ( 1.914 0.208 0.000) 1.926 16.892 ( 1.685 0.659 -0.000) 1.809 ======================= Grid point 229 (44/56) ======================= q-point: ( 0.31 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 20.694 6.132 0.000) 21.583 2.155 ( 21.770 7.063 0.000) 22.887 2.234 ( 18.517 5.382 -0.000) 19.283 2.320 ( 22.778 4.997 0.000) 23.319 2.519 ( 17.249 6.805 0.000) 18.543 2.568 ( 9.862 9.826 0.000) 13.921 2.786 ( 10.020 11.628 0.000) 15.350 2.813 ( 13.799 8.925 0.000) 16.433 2.920 ( 6.830 7.313 0.000) 10.007 3.024 ( 3.264 6.383 -0.000) 7.169 3.132 ( -0.280 5.869 0.000) 5.876 3.229 ( -1.037 5.919 -0.000) 6.009 3.326 ( -2.080 7.447 0.000) 7.732 3.369 ( -0.625 13.378 -0.000) 13.393 3.453 ( 3.067 15.890 0.000) 16.184 3.771 ( 1.527 16.505 0.000) 16.575 4.147 ( 2.255 16.931 0.000) 17.080 4.210 ( -0.311 19.444 -0.000) 19.447 4.426 ( 15.710 17.055 0.000) 23.188 4.586 ( 22.109 22.656 0.000) 31.656 4.632 ( 13.585 11.922 -0.000) 18.074 4.690 ( 16.079 12.961 -0.000) 20.652 4.810 ( 8.696 8.518 -0.000) 12.173 4.852 ( 9.672 12.909 0.000) 16.131 5.021 ( 8.532 1.136 0.000) 8.607 5.091 ( 3.633 -2.979 0.000) 4.699 5.177 ( -12.116 -6.419 0.000) 13.711 5.196 ( -5.535 -5.676 -0.000) 7.927 5.245 ( -0.512 -5.850 -0.000) 5.872 5.421 ( 3.252 -6.977 -0.000) 7.697 5.853 ( -0.009 25.451 0.000) 25.451 6.948 ( 12.969 0.412 0.000) 12.975 7.240 ( 11.174 1.550 -0.000) 11.281 7.727 ( 9.635 0.583 -0.000) 9.652 8.212 ( 14.096 -22.622 0.000) 26.654 8.246 ( 14.067 -27.295 -0.000) 30.707 8.262 ( 7.280 -9.044 0.000) 11.610 8.307 ( 14.625 -26.022 -0.000) 29.850 8.452 ( 18.486 -27.412 -0.000) 33.063 8.460 ( 12.009 -12.878 0.000) 17.609 8.567 ( 0.926 -7.607 0.000) 7.663 8.595 ( 19.325 -24.338 -0.000) 31.077 8.678 ( 15.707 -22.597 0.000) 27.519 8.779 ( 20.898 -23.874 -0.000) 31.728 8.852 ( 5.028 -0.205 0.000) 5.032 9.020 ( 15.438 -26.231 0.000) 30.436 9.625 ( -5.904 -3.163 0.000) 6.698 9.998 ( -7.872 -2.114 0.000) 8.150 10.318 ( -9.855 -1.918 -0.000) 10.040 10.453 ( -16.962 -13.123 0.000) 21.446 10.909 ( -0.858 -4.390 0.000) 4.473 10.929 ( 7.988 11.657 -0.000) 14.132 11.035 ( -15.002 -20.417 0.000) 25.336 11.076 ( -29.424 -36.606 0.000) 46.965 11.092 ( -11.519 -14.361 0.000) 18.410 11.198 ( 7.344 11.294 -0.000) 13.472 11.328 ( -0.076 -0.107 0.000) 0.132 11.422 ( 1.422 2.103 -0.000) 2.538 11.469 ( 5.109 7.744 0.000) 9.278 11.581 ( -12.187 -17.203 -0.000) 21.082 11.627 ( -16.230 -21.425 0.000) 26.878 11.720 ( -8.184 -16.312 -0.000) 18.250 11.775 ( -13.770 -24.735 0.000) 28.310 11.833 ( -10.706 -28.918 -0.000) 30.836 12.066 ( -10.701 -2.762 0.000) 11.051 12.675 ( -6.892 3.799 0.000) 7.869 13.074 ( -8.068 7.194 0.000) 10.810 13.249 ( -13.738 10.138 -0.000) 17.074 13.377 ( -11.835 10.369 0.000) 15.735 13.431 ( -12.682 8.886 -0.000) 15.486 13.605 ( -11.192 8.827 0.000) 14.254 13.643 ( -6.530 8.686 0.000) 10.866 13.737 ( -10.143 8.609 -0.000) 13.304 13.914 ( -10.864 7.891 0.000) 13.427 14.122 ( -7.395 8.692 -0.000) 11.412 14.286 ( -3.037 11.309 -0.000) 11.709 14.365 ( -0.043 12.625 0.000) 12.626 15.090 ( 0.302 30.892 0.000) 30.893 15.773 ( 6.096 -1.762 -0.000) 6.345 15.915 ( 5.471 -1.079 -0.000) 5.577 16.012 ( 6.119 -0.197 0.000) 6.123 16.157 ( 2.613 -3.133 -0.000) 4.079 16.254 ( 8.418 0.874 0.000) 8.463 16.369 ( -0.292 -3.929 -0.000) 3.940 16.522 ( -2.578 -4.994 0.000) 5.620 16.763 ( 1.711 2.048 0.000) 2.669 16.918 ( 0.631 1.990 -0.000) 2.087 ======================= Grid point 231 (45/56) ======================= q-point: ( 0.38 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( 17.153 5.172 0.000) 17.916 2.559 ( 16.234 4.799 0.000) 16.928 2.567 ( 18.518 5.143 -0.000) 19.218 2.713 ( 10.685 7.739 0.000) 13.194 2.758 ( 15.779 5.214 -0.000) 16.618 2.857 ( 11.286 7.096 0.000) 13.331 2.954 ( 13.913 5.506 0.000) 14.963 3.026 ( 1.794 5.345 0.000) 5.638 3.085 ( 2.747 6.111 0.000) 6.700 3.114 ( 11.152 11.042 0.000) 15.694 3.137 ( 5.241 9.717 0.000) 11.040 3.190 ( -0.411 7.131 -0.000) 7.143 3.237 ( -5.710 5.062 0.000) 7.631 3.378 ( 1.558 22.497 -0.000) 22.551 3.485 ( 0.655 19.732 0.000) 19.743 3.763 ( -1.665 17.852 0.000) 17.929 4.032 ( -12.735 14.824 0.000) 19.543 4.090 ( -9.764 18.657 -0.000) 21.057 4.414 ( -16.883 3.378 -0.000) 17.218 4.467 ( -23.082 0.609 0.000) 23.090 4.886 ( 6.161 8.850 0.000) 10.783 4.963 ( 14.408 14.561 -0.000) 20.485 5.011 ( 14.196 12.335 0.000) 18.807 5.041 ( 12.172 6.210 0.000) 13.665 5.174 ( 8.101 4.387 -0.000) 9.213 5.187 ( 6.521 -0.719 0.000) 6.560 5.225 ( 5.131 0.873 -0.000) 5.204 5.239 ( 7.250 7.662 0.000) 10.548 5.290 ( 3.420 -2.868 -0.000) 4.464 5.534 ( 5.901 1.715 0.000) 6.145 5.889 ( 3.065 24.532 0.000) 24.722 7.154 ( 7.677 -0.860 0.000) 7.725 7.474 ( 13.083 1.608 -0.000) 13.181 7.908 ( 8.496 -0.017 -0.000) 8.496 8.254 ( -5.280 0.764 0.000) 5.335 8.434 ( -5.940 -1.043 -0.000) 6.031 8.580 ( 17.963 -33.599 0.000) 38.099 8.596 ( 21.553 -33.687 0.000) 39.992 8.672 ( 20.906 -34.099 -0.000) 39.997 8.764 ( 17.950 -23.227 -0.000) 29.355 8.849 ( 19.332 -29.165 0.000) 34.990 8.958 ( 14.961 -18.347 -0.000) 23.674 9.025 ( 19.826 -27.490 0.000) 33.893 9.050 ( 13.709 -24.843 0.000) 28.374 9.271 ( 27.197 -30.666 -0.000) 40.989 9.369 ( 18.379 -27.136 0.000) 32.775 9.507 ( -4.657 -7.584 0.000) 8.900 9.852 ( -4.736 -13.574 0.000) 14.377 10.050 ( -15.605 -14.850 -0.000) 21.541 10.118 ( -17.165 -22.435 0.000) 28.248 10.344 ( -34.312 -44.365 -0.000) 56.085 10.452 ( -29.383 -40.409 0.000) 49.963 10.548 ( -26.208 -37.799 0.000) 45.996 10.748 ( -15.802 -22.020 -0.000) 27.103 11.010 ( -24.123 -24.714 -0.000) 34.535 11.036 ( -25.952 -28.352 -0.000) 38.437 11.064 ( -20.561 -20.447 -0.000) 28.997 11.283 ( -19.802 -18.718 0.000) 27.249 11.474 ( -7.980 -8.970 0.000) 12.006 11.556 ( 15.877 14.681 0.000) 21.624 11.636 ( 10.449 8.934 -0.000) 13.748 11.710 ( 9.839 -5.885 0.000) 11.465 11.860 ( 13.725 7.787 -0.000) 15.780 11.958 ( 20.266 18.282 0.000) 27.293 12.042 ( 6.587 5.400 0.000) 8.517 12.568 ( -4.423 3.271 0.000) 5.501 12.904 ( -9.770 10.927 0.000) 14.658 12.937 ( -17.589 14.878 0.000) 23.037 13.110 ( -15.119 12.977 0.000) 19.924 13.221 ( -8.223 14.330 0.000) 16.522 13.379 ( -10.822 12.197 -0.000) 16.306 13.439 ( -10.513 12.877 0.000) 16.624 13.622 ( -6.286 6.577 0.000) 9.098 13.660 ( -9.680 7.533 0.000) 12.266 13.904 ( -12.343 5.767 -0.000) 13.624 14.130 ( -11.102 7.157 -0.000) 13.209 14.268 ( -8.519 7.610 0.000) 11.423 15.136 ( 3.425 34.088 0.000) 34.260 15.941 ( 9.404 3.421 -0.000) 10.007 16.083 ( 9.534 3.632 0.000) 10.203 16.145 ( 7.017 3.946 0.000) 8.051 16.277 ( 7.549 2.658 -0.000) 8.003 16.395 ( 6.219 3.887 0.000) 7.334 16.475 ( 7.943 2.053 -0.000) 8.205 16.566 ( 6.245 1.169 0.000) 6.353 16.778 ( -0.444 3.808 0.000) 3.834 16.908 ( -1.810 3.369 -0.000) 3.824 ======================= Grid point 233 (46/56) ======================= q-point: ( 0.46 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.742 ( 9.822 6.675 0.000) 11.875 2.806 ( 5.981 7.276 0.000) 9.419 2.850 ( 12.689 3.549 -0.000) 13.176 2.896 ( 9.199 5.121 0.000) 10.528 2.955 ( 1.542 6.129 0.000) 6.320 2.968 ( 2.905 5.793 -0.000) 6.480 3.007 ( -2.825 5.145 0.000) 5.870 3.027 ( -4.227 4.892 -0.000) 6.465 3.081 ( -8.967 3.981 -0.000) 9.811 3.089 ( -1.079 5.455 0.000) 5.560 3.351 ( 12.063 15.937 0.000) 19.988 3.410 ( 10.303 17.393 0.000) 20.216 3.438 ( 21.049 9.014 0.000) 22.898 3.458 ( 15.015 14.947 0.000) 21.187 3.513 ( 3.216 20.382 0.000) 20.634 3.720 ( -10.097 19.609 0.000) 22.056 3.774 ( -4.108 8.208 0.000) 9.179 3.848 ( -14.272 16.540 -0.000) 21.846 3.955 ( -27.121 1.389 0.000) 27.157 4.030 ( -17.497 2.839 0.000) 17.725 4.983 ( 2.646 7.961 0.000) 8.390 5.164 ( 5.711 7.693 -0.000) 9.581 5.217 ( 6.145 6.250 0.000) 8.765 5.227 ( 6.191 8.408 0.000) 10.441 5.264 ( 1.141 0.739 -0.000) 1.359 5.281 ( 1.841 0.695 -0.000) 1.968 5.305 ( 2.661 9.483 -0.000) 9.849 5.341 ( 2.254 5.282 0.000) 5.743 5.347 ( 1.968 6.507 0.000) 6.798 5.615 ( 2.169 7.021 0.000) 7.349 5.941 ( 1.636 23.350 -0.000) 23.407 7.245 ( 2.014 -2.113 0.000) 2.919 7.745 ( 13.829 2.997 0.000) 14.150 8.014 ( -3.785 1.725 0.000) 4.160 8.083 ( -4.409 1.847 -0.000) 4.780 8.363 ( -1.993 0.187 0.000) 2.001 8.873 ( 11.483 -17.925 0.000) 21.287 9.018 ( 5.419 -25.535 0.000) 26.104 9.082 ( 25.923 -40.916 0.000) 48.437 9.123 ( 13.015 -25.806 -0.000) 28.903 9.175 ( 15.083 -29.299 0.000) 32.954 9.198 ( 14.674 -28.823 0.000) 32.344 9.315 ( 10.315 -23.313 -0.000) 25.492 9.353 ( 20.818 -35.394 0.000) 41.063 9.515 ( 6.050 -25.706 0.000) 26.409 9.612 ( -10.227 -36.966 0.000) 38.355 9.650 ( -22.841 -41.277 0.000) 47.175 9.717 ( -17.546 -33.556 -0.000) 37.867 9.745 ( -14.523 -30.997 0.000) 34.231 9.758 ( -5.118 -32.964 -0.000) 33.359 9.909 ( 17.911 -34.664 0.000) 39.018 10.084 ( 0.146 -32.484 0.000) 32.484 10.231 ( -0.709 -30.657 -0.000) 30.665 10.451 ( -20.977 -28.237 -0.000) 35.176 10.483 ( -24.471 -29.941 -0.000) 38.669 10.567 ( -14.423 -25.616 -0.000) 29.398 10.673 ( -16.213 -23.149 -0.000) 28.262 10.983 ( -6.298 -17.612 0.000) 18.704 11.119 ( -17.085 -18.360 -0.000) 25.080 11.811 ( 5.049 -21.131 -0.000) 21.726 11.833 ( 10.467 0.830 0.000) 10.500 12.059 ( -7.296 3.875 0.000) 8.261 12.074 ( 24.628 23.501 0.000) 34.042 12.244 ( 20.994 21.365 -0.000) 29.954 12.335 ( 16.724 18.071 0.000) 24.622 12.506 ( -8.095 13.468 -0.000) 15.714 12.560 ( -14.335 16.910 -0.000) 22.168 12.654 ( -17.717 18.235 0.000) 25.425 12.840 ( -10.712 10.582 0.000) 15.057 13.101 ( -4.123 18.755 0.000) 19.203 13.231 ( -1.702 13.609 0.000) 13.715 13.311 ( -4.745 12.827 -0.000) 13.677 13.465 ( -2.860 6.853 -0.000) 7.426 13.561 ( -5.674 6.163 -0.000) 8.377 13.768 ( -0.654 4.863 0.000) 4.907 13.934 ( -6.713 6.722 -0.000) 9.499 14.102 ( -6.304 5.636 0.000) 8.457 15.192 ( 1.724 35.024 0.000) 35.066 16.083 ( 4.093 5.370 -0.000) 6.752 16.229 ( 4.545 5.569 0.000) 7.188 16.249 ( 2.747 5.669 0.000) 6.299 16.404 ( 4.420 5.208 -0.000) 6.831 16.475 ( 1.583 5.601 0.000) 5.820 16.623 ( 6.778 4.494 -0.000) 8.133 16.701 ( 3.822 4.773 0.000) 6.114 16.749 ( -0.115 3.986 0.000) 3.988 16.844 ( -4.753 3.919 -0.000) 6.160 ======================= Grid point 253 (47/56) ======================= q-point: ( 0.23 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( 16.348 16.348 -0.000) 23.120 2.017 ( 15.820 15.820 -0.000) 22.373 2.035 ( 15.590 15.590 0.000) 22.048 2.130 ( 15.627 15.627 0.000) 22.100 2.412 ( 10.549 10.549 0.000) 14.918 2.585 ( 14.870 14.870 0.000) 21.030 2.730 ( 7.227 7.227 0.000) 10.221 2.808 ( 14.462 14.462 0.000) 20.453 2.919 ( 4.785 4.785 0.000) 6.767 3.058 ( 4.477 4.477 0.000) 6.331 3.195 ( 2.682 2.682 0.000) 3.793 3.303 ( 1.929 1.929 -0.000) 2.729 3.419 ( 1.424 1.424 0.000) 2.014 3.546 ( 12.478 12.478 -0.000) 17.647 3.579 ( 9.198 9.198 0.000) 13.008 3.940 ( 12.259 12.259 -0.000) 17.337 4.295 ( 16.097 16.097 0.000) 22.764 4.401 ( 19.657 19.657 -0.000) 27.799 4.458 ( 17.427 17.427 0.000) 24.645 4.571 ( 17.892 17.892 -0.000) 25.303 4.626 ( 25.128 25.128 0.000) 35.536 4.696 ( 16.767 16.767 0.000) 23.712 4.789 ( 10.748 10.748 -0.000) 15.200 4.924 ( 15.462 15.462 -0.000) 21.867 4.948 ( 11.300 11.300 0.000) 15.980 4.990 ( 3.903 3.903 0.000) 5.519 5.137 ( -6.040 -6.040 0.000) 8.541 5.232 ( -9.559 -9.559 -0.000) 13.519 5.252 ( -13.995 -13.995 0.000) 19.791 5.282 ( -14.997 -14.997 -0.000) 21.209 6.231 ( 9.472 9.472 0.000) 13.396 6.753 ( 10.076 10.076 0.000) 14.249 7.104 ( 3.295 3.295 0.000) 4.660 7.563 ( -2.408 -2.408 -0.000) 3.406 7.819 ( -5.476 -5.476 0.000) 7.744 7.853 ( 1.140 1.140 0.000) 1.612 7.863 ( -3.665 -3.665 -0.000) 5.183 7.954 ( -3.718 -3.718 -0.000) 5.258 8.037 ( -2.576 -2.576 0.000) 3.643 8.121 ( -1.785 -1.785 0.000) 2.524 8.169 ( -1.204 -1.204 0.000) 1.702 8.231 ( -3.570 -3.570 0.000) 5.049 8.239 ( -2.449 -2.449 -0.000) 3.463 8.457 ( 5.021 5.021 0.000) 7.101 8.762 ( 0.718 0.718 0.000) 1.015 8.858 ( -2.501 -2.501 0.000) 3.536 9.657 ( -5.025 -5.025 0.000) 7.106 10.082 ( -3.643 -3.643 0.000) 5.151 10.413 ( -6.176 -6.176 -0.000) 8.734 10.518 ( -14.524 -14.524 -0.000) 20.540 10.818 ( -27.505 -27.505 0.000) 38.898 10.957 ( -0.016 -0.016 0.000) 0.023 10.958 ( -34.696 -34.696 -0.000) 49.067 11.010 ( -13.504 -13.504 0.000) 19.097 11.147 ( 17.546 17.546 -0.000) 24.814 11.281 ( 1.271 1.271 0.000) 1.797 11.290 ( 2.068 2.068 -0.000) 2.925 11.396 ( -12.007 -12.007 0.000) 16.980 11.509 ( 8.902 8.902 -0.000) 12.589 11.520 ( -14.386 -14.386 0.000) 20.345 11.535 ( -17.918 -17.918 0.000) 25.340 11.544 ( -1.841 -1.841 0.000) 2.603 11.585 ( -23.204 -23.204 -0.000) 32.815 11.789 ( -17.074 -17.074 0.000) 24.146 12.160 ( -7.907 -7.907 0.000) 11.182 12.793 ( -4.863 -4.863 0.000) 6.878 13.234 ( -3.103 -3.103 -0.000) 4.388 13.488 ( -1.855 -1.855 -0.000) 2.624 13.625 ( -1.617 -1.617 0.000) 2.286 13.634 ( -4.304 -4.304 -0.000) 6.087 13.789 ( -0.943 -0.943 0.000) 1.334 13.803 ( -1.693 -1.693 0.000) 2.394 13.939 ( -2.279 -2.279 0.000) 3.223 14.103 ( -1.597 -1.597 0.000) 2.259 14.284 ( 0.654 0.654 -0.000) 0.924 14.431 ( 4.730 4.730 -0.000) 6.690 14.493 ( 6.667 6.667 0.000) 9.429 15.497 ( 8.911 8.911 0.000) 12.603 15.645 ( 4.493 4.493 -0.000) 6.354 15.852 ( 0.538 0.538 -0.000) 0.760 15.918 ( 5.807 5.807 0.000) 8.212 16.094 ( -2.478 -2.478 -0.000) 3.505 16.147 ( 6.484 6.484 0.000) 9.170 16.336 ( -4.716 -4.716 -0.000) 6.669 16.497 ( -5.314 -5.314 0.000) 7.515 16.762 ( 3.442 3.442 0.000) 4.867 16.933 ( 3.148 3.148 -0.000) 4.452 ======================= Grid point 255 (48/56) ======================= q-point: ( 0.31 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 17.634 12.809 0.000) 21.795 2.347 ( 18.124 12.116 0.000) 21.800 2.397 ( 19.184 10.470 -0.000) 21.855 2.467 ( 18.299 10.535 0.000) 21.115 2.663 ( 15.584 8.007 0.000) 17.520 2.798 ( 6.668 13.195 0.000) 14.784 2.952 ( 12.671 7.140 0.000) 14.544 2.999 ( 7.454 8.434 0.000) 11.256 3.081 ( 8.570 7.315 -0.000) 11.268 3.151 ( 7.815 8.590 0.000) 11.613 3.223 ( 0.726 3.812 0.000) 3.881 3.316 ( -0.232 3.703 -0.000) 3.710 3.402 ( -2.455 2.442 0.000) 3.463 3.696 ( 4.183 13.033 -0.000) 13.688 3.777 ( 8.991 17.646 0.000) 19.804 4.116 ( 4.883 17.990 -0.000) 18.641 4.497 ( 2.047 18.003 0.000) 18.119 4.583 ( -3.362 15.620 -0.000) 15.978 4.715 ( 1.329 10.702 -0.000) 10.784 4.814 ( -4.892 5.120 0.000) 7.082 4.919 ( -0.491 1.172 0.000) 1.270 4.946 ( -0.575 0.519 0.000) 0.774 4.984 ( 10.634 10.238 0.000) 14.761 5.017 ( 3.573 -2.032 0.000) 4.110 5.028 ( 3.241 -1.560 -0.000) 3.596 5.068 ( 14.327 12.504 0.000) 19.016 5.113 ( 12.539 4.805 0.000) 13.428 5.158 ( 4.452 -0.895 -0.000) 4.541 5.250 ( 15.825 16.855 0.000) 23.119 5.353 ( 16.190 6.387 0.000) 17.404 6.325 ( 3.015 20.988 0.000) 21.204 6.978 ( 10.983 2.874 0.000) 11.352 7.184 ( 5.827 -8.008 0.000) 9.903 7.554 ( 3.576 -18.622 -0.000) 18.962 7.805 ( 4.249 -20.462 -0.000) 20.898 7.905 ( 6.621 -6.849 0.000) 9.526 7.952 ( 7.493 -6.775 -0.000) 10.102 8.000 ( 6.746 -11.304 -0.000) 13.164 8.078 ( 3.737 -13.383 0.000) 13.895 8.159 ( 7.124 -11.700 0.000) 13.698 8.241 ( 10.669 -13.690 0.000) 17.356 8.285 ( 11.937 -13.668 0.000) 18.147 8.384 ( 9.536 -17.900 0.000) 20.281 8.547 ( 3.753 1.276 0.000) 3.964 8.720 ( -2.835 -5.127 0.000) 5.859 8.863 ( 2.388 0.483 0.000) 2.436 9.505 ( -10.031 -9.606 0.000) 13.888 9.920 ( -14.740 -7.799 0.000) 16.676 10.046 ( -24.399 -27.011 0.000) 36.399 10.130 ( -31.359 -26.125 -0.000) 40.815 10.194 ( -39.492 -42.745 -0.000) 58.196 10.247 ( -34.240 -42.658 0.000) 54.700 10.370 ( -17.614 -24.961 -0.000) 30.550 10.746 ( -23.990 -16.773 -0.000) 29.272 10.983 ( -27.812 -29.785 -0.000) 40.751 11.003 ( -26.580 -28.127 0.000) 38.699 11.061 ( -17.923 -32.726 -0.000) 37.312 11.079 ( -20.529 -25.924 -0.000) 33.068 11.432 ( -4.768 -2.287 0.000) 5.289 11.491 ( -0.871 -2.716 0.000) 2.852 11.570 ( 19.280 18.496 0.000) 26.717 11.672 ( 15.112 16.161 0.000) 22.126 11.847 ( 13.296 15.229 -0.000) 20.217 11.914 ( 19.261 16.905 0.000) 25.627 12.035 ( 0.886 0.635 0.000) 1.090 12.660 ( -7.198 -4.984 0.000) 8.756 13.126 ( -7.017 -1.903 0.000) 7.270 13.383 ( -8.432 3.454 -0.000) 9.112 13.495 ( -8.405 1.594 -0.000) 8.555 13.541 ( -6.740 2.086 -0.000) 7.055 13.708 ( -7.319 1.627 0.000) 7.497 13.723 ( -5.060 -0.298 0.000) 5.069 13.822 ( -8.406 0.452 -0.000) 8.418 13.949 ( -12.282 -4.072 0.000) 12.939 14.155 ( -12.329 -5.718 -0.000) 13.591 14.378 ( -9.265 -2.750 -0.000) 9.665 14.485 ( -7.018 -1.395 0.000) 7.155 15.622 ( 6.488 23.522 0.000) 24.401 15.842 ( 13.044 9.119 -0.000) 15.916 15.986 ( 11.717 8.783 0.000) 14.643 16.101 ( 10.825 9.350 0.000) 14.304 16.183 ( 10.193 6.434 -0.000) 12.054 16.340 ( 11.275 8.131 0.000) 13.901 16.369 ( 7.865 4.638 -0.000) 9.130 16.498 ( 5.286 3.577 0.000) 6.382 16.839 ( 3.877 5.557 0.000) 6.776 16.995 ( 2.667 5.541 -0.000) 6.150 ======================= Grid point 257 (49/56) ======================= q-point: ( 0.38 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.611 ( 16.370 9.626 0.000) 18.991 2.704 ( 16.031 9.239 0.000) 18.503 2.714 ( 15.400 10.017 0.000) 18.371 2.851 ( 19.417 6.112 0.000) 20.356 2.913 ( 5.780 10.594 0.000) 12.068 2.997 ( 14.111 6.810 -0.000) 15.668 3.068 ( 7.853 6.533 0.000) 10.216 3.136 ( 1.524 5.940 0.000) 6.133 3.186 ( -0.154 5.010 0.000) 5.012 3.249 ( -1.853 4.943 -0.000) 5.279 3.296 ( 2.649 5.563 0.000) 6.162 3.345 ( 5.710 8.125 0.000) 9.931 3.432 ( 12.815 12.563 0.000) 17.946 3.762 ( 3.417 13.132 -0.000) 13.569 3.899 ( 3.927 22.729 0.000) 23.066 4.129 ( -3.223 19.387 -0.000) 19.653 4.342 ( -14.482 14.304 -0.000) 20.355 4.406 ( -14.895 2.904 0.000) 15.175 4.424 ( -22.213 -2.040 -0.000) 22.306 4.443 ( -17.855 6.835 -0.000) 19.118 5.024 ( 6.110 4.314 0.000) 7.479 5.109 ( 8.465 2.233 0.000) 8.755 5.138 ( 7.404 -2.292 0.000) 7.751 5.160 ( 6.715 1.699 -0.000) 6.927 5.200 ( 9.306 6.013 0.000) 11.080 5.266 ( 9.462 6.852 -0.000) 11.682 5.352 ( 10.186 7.518 -0.000) 12.660 5.401 ( 12.063 18.976 0.000) 22.486 5.519 ( 10.984 17.662 -0.000) 20.799 5.626 ( 10.971 10.804 0.000) 15.398 6.399 ( 4.483 25.038 0.000) 25.436 7.156 ( 6.425 1.001 0.000) 6.503 7.360 ( 13.207 -17.139 0.000) 21.638 7.712 ( 11.984 -26.209 -0.000) 28.819 7.981 ( 13.380 -32.739 -0.000) 35.367 8.050 ( 6.117 -11.190 0.000) 12.753 8.120 ( 8.668 -9.369 -0.000) 12.764 8.152 ( 11.280 -20.460 0.000) 23.364 8.258 ( 13.420 -22.502 -0.000) 26.200 8.379 ( 6.188 -13.282 -0.000) 14.653 8.409 ( -0.930 -9.015 0.000) 9.063 8.506 ( 13.385 -18.879 0.000) 23.142 8.557 ( 14.221 -20.013 0.000) 24.551 8.732 ( 15.339 -22.461 0.000) 27.199 8.775 ( 9.779 -14.688 0.000) 17.646 8.956 ( 8.211 -9.259 0.000) 12.375 9.290 ( -12.222 -16.919 0.000) 20.872 9.414 ( -32.345 -39.814 0.000) 51.297 9.434 ( -35.606 -45.875 0.000) 58.072 9.519 ( -29.690 -37.632 0.000) 47.934 9.551 ( -25.767 -34.289 0.000) 42.892 9.772 ( -17.709 -23.300 0.000) 29.266 9.975 ( -17.991 -16.989 0.000) 24.745 10.374 ( -19.543 -20.268 -0.000) 28.156 10.418 ( -28.680 -30.966 -0.000) 42.207 10.482 ( -24.317 -25.959 -0.000) 35.570 10.606 ( -22.306 -24.606 -0.000) 33.212 10.791 ( -14.617 -29.318 -0.000) 32.760 11.190 ( -12.582 -8.753 0.000) 15.327 11.422 ( -8.115 -13.814 -0.000) 16.021 11.739 ( 2.930 2.105 0.000) 3.608 12.040 ( 21.782 19.142 0.000) 28.998 12.068 ( 5.668 -1.117 0.000) 5.777 12.237 ( 19.756 18.912 -0.000) 27.349 12.312 ( 16.855 14.920 -0.000) 22.510 12.566 ( -1.633 -3.825 0.000) 4.159 12.992 ( -6.011 -1.417 0.000) 6.175 13.173 ( -13.129 8.675 -0.000) 15.736 13.298 ( -12.544 6.069 0.000) 13.935 13.417 ( -4.434 5.627 -0.000) 7.164 13.553 ( -7.834 4.795 0.000) 9.185 13.607 ( -6.531 2.575 0.000) 7.020 13.660 ( -7.907 0.140 0.000) 7.908 13.710 ( -9.825 -0.813 0.000) 9.859 13.891 ( -12.449 -6.782 -0.000) 14.176 14.142 ( -12.753 -5.930 -0.000) 14.064 14.279 ( -12.131 -6.672 0.000) 13.844 15.745 ( 5.561 28.019 0.000) 28.566 16.101 ( 12.091 12.593 -0.000) 17.458 16.235 ( 12.072 11.845 0.000) 16.913 16.308 ( 9.447 12.263 0.000) 15.480 16.405 ( 10.952 10.257 -0.000) 15.005 16.536 ( 8.577 10.456 0.000) 13.523 16.576 ( 11.015 8.386 -0.000) 13.844 16.663 ( 10.175 8.967 0.000) 13.562 16.894 ( 1.354 7.892 0.000) 8.007 17.022 ( -0.171 8.018 -0.000) 8.020 ======================= Grid point 259 (50/56) ======================= q-point: ( 0.46 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 10.927 8.417 0.000) 13.793 2.956 ( 11.015 7.911 0.000) 13.561 2.967 ( 6.287 8.089 -0.000) 10.245 3.033 ( 6.897 8.542 0.000) 10.979 3.089 ( 0.465 7.375 0.000) 7.390 3.105 ( 2.531 7.848 -0.000) 8.246 3.128 ( -1.861 6.985 0.000) 7.229 3.144 ( -3.630 6.810 0.000) 7.717 3.178 ( -7.575 5.962 -0.000) 9.640 3.201 ( 3.497 5.803 0.000) 6.775 3.453 ( 21.683 1.878 0.000) 21.764 3.600 ( 14.759 5.722 0.000) 15.829 3.709 ( 15.093 12.436 0.000) 19.557 3.853 ( 0.492 8.225 0.000) 8.240 3.911 ( -13.468 11.668 -0.000) 17.819 3.950 ( -3.526 20.442 0.000) 20.744 3.994 ( -17.068 4.856 -0.000) 17.745 4.034 ( -16.324 10.587 -0.000) 19.457 4.125 ( -6.994 14.032 0.000) 15.679 4.202 ( -8.590 15.996 0.000) 18.156 5.105 ( 2.040 3.780 0.000) 4.295 5.219 ( 2.887 -1.551 0.000) 3.277 5.246 ( 2.819 -2.530 0.000) 3.787 5.264 ( 3.332 3.324 0.000) 4.707 5.333 ( 3.653 6.127 0.000) 7.133 5.401 ( 3.719 9.744 -0.000) 10.430 5.490 ( 3.653 7.978 -0.000) 8.775 5.560 ( 4.147 17.742 0.000) 18.221 5.665 ( 3.824 17.862 -0.000) 18.267 5.771 ( 3.754 12.087 0.000) 12.656 6.476 ( 2.572 27.725 0.000) 27.844 7.222 ( 1.084 0.158 0.000) 1.095 7.699 ( 19.999 -14.903 0.000) 24.941 7.963 ( 8.108 -14.218 -0.000) 16.368 8.081 ( -8.220 -7.131 -0.000) 10.882 8.231 ( 1.337 -19.500 0.000) 19.545 8.267 ( 8.762 -26.019 -0.000) 27.455 8.315 ( 16.439 -36.234 -0.000) 39.788 8.424 ( 15.445 -22.264 0.000) 27.097 8.525 ( 6.153 -26.159 0.000) 26.873 8.604 ( 9.006 -33.988 -0.000) 35.161 8.718 ( -0.199 -32.047 0.000) 32.047 8.765 ( 2.230 -34.788 0.000) 34.859 8.792 ( -22.002 -38.185 0.000) 44.070 8.866 ( -5.450 -28.862 0.000) 29.373 8.896 ( 1.001 -19.434 0.000) 19.460 8.926 ( -14.065 -35.046 0.000) 37.763 9.065 ( -19.759 -33.792 0.000) 39.145 9.112 ( -11.654 -29.767 0.000) 31.967 9.177 ( 9.221 -24.697 0.000) 26.362 9.274 ( 17.891 -28.493 0.000) 33.644 9.521 ( 0.011 -24.409 0.000) 24.409 9.799 ( -3.324 -14.651 0.000) 15.024 9.826 ( -28.787 -31.780 -0.000) 42.879 9.937 ( -20.252 -26.174 0.000) 33.094 10.169 ( -8.707 -16.136 -0.000) 18.335 10.238 ( -13.625 -24.522 0.000) 28.053 10.557 ( -7.266 -18.459 0.000) 19.838 10.970 ( -7.551 -2.103 -0.000) 7.838 11.311 ( -2.472 -23.436 -0.000) 23.566 11.855 ( 8.048 -4.149 0.000) 9.055 12.018 ( -7.083 -8.087 0.000) 10.751 12.473 ( 19.405 16.243 0.000) 25.306 12.573 ( 7.225 2.110 -0.000) 7.527 12.588 ( 6.894 2.564 -0.000) 7.355 12.625 ( 16.320 13.838 -0.000) 21.397 12.872 ( -16.455 12.881 0.000) 20.897 12.890 ( -6.789 5.508 0.000) 8.743 13.024 ( -13.154 9.018 0.000) 15.948 13.352 ( -2.885 7.203 0.000) 7.760 13.458 ( -1.832 7.882 -0.000) 8.092 13.496 ( -2.380 4.801 -0.000) 5.359 13.528 ( -3.588 2.956 -0.000) 4.648 13.579 ( -5.487 -1.981 0.000) 5.834 13.743 ( -2.423 -7.144 0.000) 7.544 13.948 ( -5.800 -5.239 -0.000) 7.816 14.082 ( -6.327 -7.589 0.000) 9.881 15.823 ( 2.180 29.284 0.000) 29.365 16.271 ( 4.701 13.500 -0.000) 14.295 16.412 ( 5.332 12.834 0.000) 13.897 16.436 ( 3.113 13.008 0.000) 13.376 16.570 ( 5.076 11.328 -0.000) 12.414 16.645 ( 2.401 11.467 0.000) 11.716 16.765 ( 7.692 9.841 -0.000) 12.491 16.849 ( 7.850 10.351 0.000) 12.991 16.881 ( -2.558 9.630 0.000) 9.964 16.982 ( -3.954 9.855 -0.000) 10.619 ======================= Grid point 281 (51/56) ======================= q-point: ( 0.31 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 15.589 15.589 -0.000) 22.047 2.618 ( 13.913 13.913 0.000) 19.675 2.623 ( 14.842 14.842 -0.000) 20.990 2.727 ( 14.538 14.538 0.000) 20.559 2.842 ( 10.975 10.975 0.000) 15.521 3.017 ( 7.458 7.458 0.000) 10.548 3.103 ( 7.264 7.264 0.000) 10.273 3.165 ( 10.214 10.214 0.000) 14.445 3.185 ( 4.246 4.246 -0.000) 6.005 3.292 ( 4.176 4.176 -0.000) 5.906 3.315 ( 4.252 4.252 -0.000) 6.014 3.422 ( 9.509 9.509 0.000) 13.447 3.430 ( 0.645 0.645 0.000) 0.912 3.856 ( 4.856 4.856 0.000) 6.867 4.097 ( 13.503 13.503 0.000) 19.096 4.417 ( 10.477 10.477 -0.000) 14.816 4.593 ( -10.575 -10.575 0.000) 14.955 4.618 ( -15.584 -15.584 -0.000) 22.039 4.759 ( -8.030 -8.030 -0.000) 11.357 4.836 ( 9.845 9.845 0.000) 13.923 4.846 ( -6.532 -6.532 -0.000) 9.238 4.985 ( 0.514 0.514 -0.000) 0.728 5.024 ( 9.869 9.869 -0.000) 13.957 5.088 ( 2.198 2.198 0.000) 3.109 5.112 ( 12.493 12.493 -0.000) 17.668 5.267 ( 13.952 13.952 0.000) 19.731 5.284 ( 12.634 12.634 0.000) 17.867 5.479 ( 17.140 17.140 0.000) 24.240 5.592 ( 16.106 16.106 -0.000) 22.777 5.632 ( 16.860 16.860 0.000) 23.844 6.634 ( 11.137 11.137 0.000) 15.750 6.928 ( -7.636 -7.636 0.000) 10.799 7.155 ( 6.647 6.647 0.000) 9.400 7.229 ( -11.539 -11.539 -0.000) 16.319 7.494 ( -10.632 -10.632 0.000) 15.036 7.710 ( -8.101 -8.101 -0.000) 11.456 7.871 ( -5.551 -5.551 0.000) 7.851 7.949 ( 5.672 5.672 0.000) 8.022 8.001 ( -1.728 -1.728 0.000) 2.444 8.066 ( 2.720 2.720 -0.000) 3.847 8.082 ( -3.266 -3.266 0.000) 4.619 8.152 ( 0.171 0.171 -0.000) 0.242 8.163 ( -1.000 -1.000 0.000) 1.414 8.594 ( 1.557 1.557 0.000) 2.203 8.645 ( -3.817 -3.817 0.000) 5.398 8.857 ( -1.349 -1.349 0.000) 1.908 9.232 ( -20.643 -20.643 0.000) 29.194 9.310 ( -42.249 -42.249 0.000) 59.749 9.356 ( -41.716 -41.716 0.000) 58.995 9.439 ( -37.456 -37.456 0.000) 52.971 9.461 ( -33.036 -33.036 0.000) 46.719 9.745 ( -13.460 -13.460 0.000) 19.035 10.059 ( -16.475 -16.475 -0.000) 23.299 10.375 ( -28.580 -28.580 0.000) 40.418 10.419 ( -26.029 -26.029 0.000) 36.810 10.428 ( -23.415 -23.415 -0.000) 33.114 10.492 ( -21.818 -21.818 -0.000) 30.855 10.628 ( -20.299 -20.299 -0.000) 28.707 11.242 ( -10.850 -10.850 -0.000) 15.344 11.409 ( -7.128 -7.128 -0.000) 10.081 11.844 ( 0.026 0.026 0.000) 0.037 11.865 ( -4.933 -4.933 0.000) 6.976 12.028 ( 21.556 21.556 0.000) 30.485 12.225 ( 19.147 19.147 -0.000) 27.078 12.289 ( 14.435 14.435 -0.000) 20.414 12.529 ( -6.715 -6.715 0.000) 9.496 13.024 ( -7.406 -7.406 0.000) 10.473 13.385 ( -3.051 -3.051 -0.000) 4.315 13.462 ( -4.279 -4.279 -0.000) 6.051 13.524 ( -3.501 -3.501 0.000) 4.951 13.656 ( -5.215 -5.215 0.000) 7.375 13.665 ( -5.789 -5.789 0.000) 8.187 13.788 ( -3.342 -3.342 0.000) 4.727 13.829 ( -6.045 -6.045 0.000) 8.549 13.944 ( -13.759 -13.759 -0.000) 19.458 14.205 ( -13.168 -13.168 -0.000) 18.623 14.327 ( -13.065 -13.065 0.000) 18.477 16.010 ( 15.616 15.616 0.000) 22.084 16.089 ( 15.014 15.014 0.000) 21.233 16.228 ( 14.686 14.686 0.000) 20.769 16.334 ( 13.097 13.097 -0.000) 18.522 16.392 ( 13.667 13.667 -0.000) 19.328 16.542 ( 12.220 12.220 0.000) 17.282 16.553 ( 12.390 12.390 0.000) 17.522 16.655 ( 11.389 11.389 0.000) 16.106 16.962 ( 6.454 6.454 0.000) 9.127 17.111 ( 5.638 5.638 -0.000) 7.974 ======================= Grid point 283 (52/56) ======================= q-point: ( 0.38 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.840 ( 12.858 13.373 0.000) 18.552 2.899 ( 14.809 10.676 0.000) 18.256 2.942 ( 13.142 11.819 -0.000) 17.675 2.988 ( 14.880 8.884 0.000) 17.331 3.104 ( 11.804 6.797 0.000) 13.621 3.136 ( 7.752 8.972 -0.000) 11.858 3.207 ( 4.379 7.173 0.000) 8.404 3.251 ( 2.682 5.636 0.000) 6.242 3.284 ( 1.717 4.952 0.000) 5.242 3.339 ( -0.217 4.224 -0.000) 4.230 3.377 ( -1.263 3.174 0.000) 3.416 3.518 ( 11.648 9.389 0.000) 14.961 3.642 ( 11.420 8.847 0.000) 14.446 3.922 ( 2.632 4.506 0.000) 5.218 4.242 ( -7.273 -0.294 0.000) 7.279 4.257 ( -16.338 -7.655 -0.000) 18.043 4.364 ( -3.500 9.554 -0.000) 10.175 4.496 ( -8.942 8.695 -0.000) 12.473 4.532 ( -9.701 4.276 0.000) 10.602 4.647 ( -8.001 9.392 0.000) 12.338 5.054 ( 5.444 -4.061 -0.000) 6.792 5.061 ( 8.609 2.719 0.000) 9.028 5.123 ( 3.668 -1.542 0.000) 3.979 5.246 ( 8.980 7.297 -0.000) 11.571 5.348 ( 10.287 9.937 -0.000) 14.302 5.501 ( 9.666 12.836 0.000) 16.069 5.514 ( 9.687 9.821 0.000) 13.795 5.753 ( 10.808 16.141 0.000) 19.426 5.857 ( 10.618 15.856 -0.000) 19.083 5.913 ( 11.125 15.962 0.000) 19.456 6.813 ( 8.131 16.692 0.000) 18.567 6.880 ( 4.301 -23.823 0.000) 24.209 7.115 ( 1.481 -20.761 -0.000) 20.814 7.285 ( 3.763 0.388 0.000) 3.783 7.404 ( 1.598 -24.821 0.000) 24.872 7.651 ( 1.537 -22.821 -0.000) 22.873 7.827 ( 0.821 -18.449 0.000) 18.467 8.004 ( 2.641 -13.108 -0.000) 13.372 8.063 ( 4.271 -4.835 0.000) 6.451 8.109 ( 5.680 -1.857 0.000) 5.976 8.189 ( 7.733 -6.801 -0.000) 10.298 8.246 ( 1.981 -12.119 0.000) 12.280 8.275 ( 9.686 -11.059 -0.000) 14.701 8.406 ( -26.423 -28.029 0.000) 38.520 8.522 ( -27.135 -29.438 0.000) 40.036 8.607 ( -20.427 -26.997 -0.000) 33.854 8.638 ( -6.491 -14.622 0.000) 15.997 8.715 ( -25.553 -31.601 0.000) 40.639 8.812 ( -7.887 -14.908 0.000) 16.866 8.880 ( -22.152 -27.488 0.000) 35.304 8.932 ( -16.901 -23.600 0.000) 29.027 9.419 ( -19.827 -13.809 0.000) 24.162 9.724 ( -13.062 -15.129 0.000) 19.987 9.792 ( -29.420 -30.477 0.000) 42.360 9.896 ( -25.303 -24.886 0.000) 35.491 10.062 ( -17.720 -24.245 0.000) 30.030 10.151 ( -14.661 -15.068 -0.000) 21.024 10.344 ( -8.878 -17.514 -0.000) 19.635 11.037 ( -9.410 -8.478 -0.000) 12.666 11.207 ( -13.055 -8.136 -0.000) 15.383 11.705 ( -4.403 -4.734 0.000) 6.465 11.857 ( -2.478 -14.577 0.000) 14.786 12.410 ( 13.665 11.077 0.000) 17.591 12.417 ( -1.821 -7.865 0.000) 8.073 12.507 ( 9.826 7.300 0.000) 12.241 12.586 ( 15.627 14.374 -0.000) 21.233 12.901 ( -3.563 -5.760 0.000) 6.773 13.276 ( -7.937 1.478 -0.000) 8.073 13.330 ( -8.945 -2.794 0.000) 9.372 13.445 ( -3.655 -3.638 -0.000) 5.157 13.531 ( -5.536 -1.704 0.000) 5.792 13.567 ( -4.517 -2.705 0.000) 5.265 13.682 ( -9.953 -9.551 -0.000) 13.794 13.713 ( -5.039 1.302 0.000) 5.205 13.736 ( -4.352 0.953 0.000) 4.455 13.940 ( -12.314 -13.241 -0.000) 18.082 14.048 ( -13.728 -15.203 0.000) 20.484 16.228 ( 7.715 21.326 0.000) 22.679 16.380 ( 12.996 14.059 0.000) 19.146 16.510 ( 12.865 15.102 0.000) 19.838 16.573 ( 10.442 13.694 -0.000) 17.221 16.655 ( 12.022 14.673 -0.000) 18.970 16.768 ( 9.529 12.470 0.000) 15.694 16.801 ( 12.254 13.730 -0.000) 18.403 16.893 ( 11.881 13.452 0.000) 17.947 17.067 ( 3.785 9.162 0.000) 9.913 17.194 ( 2.486 8.763 -0.000) 9.108 ======================= Grid point 285 (53/56) ======================= q-point: ( 0.46 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.066 ( 9.261 9.551 0.000) 13.304 3.126 ( 7.621 8.786 0.000) 11.631 3.136 ( 6.192 9.207 -0.000) 11.096 3.205 ( 3.202 8.325 -0.000) 8.919 3.240 ( 4.055 8.011 0.000) 8.979 3.255 ( 0.569 7.209 -0.000) 7.231 3.269 ( 0.381 7.098 0.000) 7.108 3.275 ( -3.457 6.364 0.000) 7.243 3.303 ( 3.439 5.229 0.000) 6.259 3.319 ( 0.243 7.393 0.000) 7.397 3.483 ( 15.592 1.544 0.000) 15.668 3.685 ( 3.820 3.481 0.000) 5.168 3.832 ( -3.354 -0.316 0.000) 3.369 3.864 ( -6.566 -0.936 0.000) 6.632 4.005 ( -4.677 2.053 -0.000) 5.108 4.076 ( 4.116 4.575 -0.000) 6.154 4.236 ( -12.476 5.045 0.000) 13.457 4.333 ( -10.577 8.681 -0.000) 13.683 4.423 ( 3.027 21.071 0.000) 21.287 4.552 ( -3.046 17.875 0.000) 18.133 5.127 ( 1.645 -2.308 0.000) 2.834 5.175 ( 3.168 -2.840 0.000) 4.254 5.198 ( 2.725 0.796 0.000) 2.839 5.372 ( 3.438 6.727 0.000) 7.555 5.489 ( 3.735 9.394 -0.000) 10.110 5.631 ( 3.454 12.305 -0.000) 12.780 5.645 ( 3.502 8.599 0.000) 9.284 5.896 ( 3.740 15.923 0.000) 16.356 5.998 ( 3.641 15.537 -0.000) 15.957 6.058 ( 3.716 15.439 0.000) 15.880 6.951 ( 4.915 19.496 0.000) 20.106 7.115 ( 19.602 -34.865 0.000) 39.997 7.243 ( 5.103 -6.075 -0.000) 7.934 7.349 ( 9.651 -27.331 -0.000) 28.985 7.537 ( 9.594 -35.311 0.000) 36.591 7.635 ( -27.759 -39.638 0.000) 48.392 7.736 ( -2.665 -34.246 -0.000) 34.350 7.786 ( -17.149 -38.686 0.000) 42.316 7.937 ( -3.150 -33.672 0.000) 33.819 7.976 ( -13.052 -39.644 -0.000) 41.737 8.141 ( 0.125 -6.299 0.000) 6.300 8.228 ( 1.643 -3.682 0.000) 4.032 8.318 ( 7.364 -8.977 0.000) 11.611 8.363 ( -6.191 -15.324 -0.000) 16.527 8.377 ( -3.649 -23.193 0.000) 23.478 8.431 ( 3.568 -14.066 0.000) 14.511 8.498 ( 2.691 -14.711 0.000) 14.955 8.567 ( -4.963 -19.574 0.000) 20.193 8.609 ( -7.653 -20.704 0.000) 22.073 8.744 ( 8.674 -17.154 -0.000) 19.223 8.813 ( 1.960 -19.392 0.000) 19.491 9.125 ( -7.679 -17.048 0.000) 18.698 9.244 ( -23.807 -26.293 0.000) 35.469 9.466 ( -14.415 -21.130 0.000) 25.578 9.610 ( -1.026 -9.783 0.000) 9.837 9.745 ( -12.853 -19.894 0.000) 23.685 9.941 ( -5.910 -9.552 -0.000) 11.232 10.235 ( -2.806 -16.836 -0.000) 17.068 10.915 ( -2.156 -8.845 -0.000) 9.103 10.977 ( -8.399 -6.129 -0.000) 10.397 11.693 ( 2.349 -11.110 0.000) 11.355 11.779 ( -4.712 -14.804 0.000) 15.536 12.383 ( -0.639 -13.938 0.000) 13.953 12.499 ( 0.096 -9.592 0.000) 9.592 12.794 ( 15.371 12.061 0.000) 19.537 12.855 ( 10.375 7.243 -0.000) 12.653 12.891 ( 1.648 -3.909 0.000) 4.242 13.077 ( -12.304 7.362 -0.000) 14.339 13.145 ( -8.702 2.685 -0.000) 9.107 13.397 ( -1.207 -4.396 -0.000) 4.559 13.464 ( -1.701 0.977 -0.000) 1.962 13.492 ( -2.474 0.166 0.000) 2.480 13.538 ( -3.762 -10.641 -0.000) 11.286 13.648 ( -1.750 6.520 0.000) 6.751 13.673 ( -1.854 5.578 0.000) 5.878 13.768 ( -4.700 -11.777 -0.000) 12.680 13.848 ( -5.729 -14.795 0.000) 15.866 16.329 ( 2.615 22.272 0.000) 22.425 16.558 ( 4.806 14.055 0.000) 14.854 16.694 ( 5.405 14.801 0.000) 15.757 16.713 ( 3.380 14.376 0.000) 14.768 16.826 ( 4.771 14.431 -0.000) 15.199 16.895 ( 3.257 13.276 0.000) 13.669 16.995 ( 6.903 13.088 -0.000) 14.797 17.088 ( 6.792 12.952 0.000) 14.625 17.097 ( -0.013 11.678 0.000) 11.678 17.197 ( -2.204 11.292 -0.000) 11.506 ======================= Grid point 309 (54/56) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.095 ( 10.061 10.061 -0.000) 14.229 3.112 ( 11.298 11.298 0.000) 15.977 3.140 ( 11.245 11.245 -0.000) 15.903 3.210 ( 9.139 9.139 0.000) 12.924 3.222 ( 7.881 7.881 0.000) 11.145 3.289 ( 5.833 5.833 0.000) 8.249 3.327 ( 4.674 4.674 -0.000) 6.611 3.345 ( 3.716 3.716 0.000) 5.255 3.372 ( 3.365 3.365 0.000) 4.759 3.415 ( 3.776 3.776 0.000) 5.340 3.424 ( 2.017 2.017 0.000) 2.853 3.713 ( 9.745 9.745 -0.000) 13.781 3.773 ( 4.378 4.378 0.000) 6.192 3.939 ( -4.758 -4.758 0.000) 6.729 4.095 ( -9.500 -9.500 0.000) 13.435 4.102 ( -2.753 -2.753 -0.000) 3.893 4.430 ( -8.224 -8.224 0.000) 11.631 4.545 ( -4.757 -4.757 -0.000) 6.727 4.616 ( 10.280 10.280 0.000) 14.538 4.856 ( 7.401 7.401 -0.000) 10.466 4.990 ( -0.432 -0.432 0.000) 0.611 5.104 ( 0.210 0.210 -0.000) 0.296 5.169 ( 6.428 6.428 0.000) 9.090 5.397 ( 7.279 7.279 -0.000) 10.294 5.543 ( 9.003 9.003 -0.000) 12.732 5.697 ( 8.239 8.239 0.000) 11.651 5.723 ( 9.177 9.177 0.000) 12.978 6.018 ( 10.694 10.694 0.000) 15.124 6.118 ( 10.444 10.444 -0.000) 14.771 6.183 ( 10.872 10.872 0.000) 15.376 6.528 ( -10.429 -10.429 0.000) 14.749 6.759 ( -11.346 -11.346 -0.000) 16.046 7.031 ( -12.280 -12.280 0.000) 17.366 7.065 ( 9.084 9.084 0.000) 12.846 7.299 ( -12.453 -12.453 0.000) 17.611 7.359 ( 0.408 0.408 0.000) 0.578 7.508 ( -13.600 -13.600 0.000) 19.233 7.555 ( -38.398 -38.398 0.000) 54.303 7.678 ( -23.020 -23.020 -0.000) 32.555 7.680 ( -32.330 -32.330 0.000) 45.722 8.032 ( -5.804 -5.804 0.000) 8.209 8.099 ( -12.398 -12.398 -0.000) 17.534 8.125 ( -5.454 -5.454 -0.000) 7.714 8.178 ( 0.872 0.872 0.000) 1.233 8.203 ( 1.893 1.893 0.000) 2.677 8.229 ( 1.356 1.356 -0.000) 1.917 8.282 ( -17.855 -17.855 -0.000) 25.250 8.472 ( -17.069 -17.069 0.000) 24.140 8.508 ( -7.116 -7.116 0.000) 10.064 8.586 ( -5.462 -5.462 0.000) 7.724 8.660 ( -7.525 -7.525 0.000) 10.642 9.175 ( -14.610 -14.610 0.000) 20.661 9.231 ( -25.810 -25.810 0.000) 36.501 9.317 ( -20.108 -20.108 0.000) 28.436 9.516 ( -13.998 -13.998 0.000) 19.797 9.717 ( -12.199 -12.199 0.000) 17.251 9.916 ( -9.717 -9.717 -0.000) 13.741 10.065 ( -10.729 -10.729 -0.000) 15.174 10.863 ( -8.704 -8.704 -0.000) 12.310 11.053 ( -8.410 -8.410 -0.000) 11.894 11.589 ( -8.262 -8.262 0.000) 11.684 11.601 ( -7.618 -7.618 -0.000) 10.773 12.229 ( -8.659 -8.659 0.000) 12.245 12.386 ( -6.820 -6.820 0.000) 9.645 12.755 ( 11.044 11.044 0.000) 15.619 12.814 ( -1.586 -1.586 0.000) 2.244 12.815 ( 8.273 8.273 -0.000) 11.700 13.181 ( -6.891 -6.891 -0.000) 9.746 13.288 ( -2.875 -2.875 0.000) 4.066 13.383 ( -1.534 -1.534 0.000) 2.169 13.443 ( -8.847 -8.847 -0.000) 12.512 13.513 ( -0.749 -0.749 0.000) 1.059 13.574 ( -0.859 -0.859 0.000) 1.215 13.683 ( -11.247 -11.247 -0.000) 15.906 13.737 ( 0.207 0.207 0.000) 0.293 13.752 ( -13.310 -13.310 0.000) 18.823 13.759 ( 0.202 0.202 -0.000) 0.286 16.561 ( 11.514 11.514 0.000) 16.283 16.610 ( 10.370 10.370 0.000) 14.665 16.788 ( 12.396 12.396 0.000) 17.531 16.822 ( 11.003 11.003 -0.000) 15.561 16.929 ( 12.073 12.073 -0.000) 17.073 16.995 ( 9.883 9.883 0.000) 13.976 17.060 ( 11.839 11.839 -0.000) 16.744 17.146 ( 11.643 11.643 0.000) 16.465 17.224 ( 6.330 6.330 0.000) 8.952 17.338 ( 5.435 5.435 -0.000) 7.687 ======================= Grid point 311 (55/56) ======================= q-point: ( 0.46 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 169 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.245 ( 5.634 8.195 0.000) 9.944 3.280 ( 4.311 6.621 0.000) 7.901 3.308 ( 3.688 7.662 0.000) 8.503 3.344 ( 3.259 6.156 -0.000) 6.966 3.375 ( -0.509 4.874 0.000) 4.901 3.377 ( 4.888 4.421 -0.000) 6.590 3.386 ( 6.639 4.380 -0.000) 7.954 3.391 ( 1.251 5.329 -0.000) 5.474 3.393 ( 1.308 5.147 0.000) 5.310 3.461 ( 0.543 6.300 0.000) 6.323 3.518 ( 6.212 1.601 0.000) 6.415 3.721 ( -7.631 -0.716 0.000) 7.664 3.812 ( -2.042 1.159 0.000) 2.348 3.844 ( -3.614 -1.009 -0.000) 3.753 4.026 ( 7.380 0.549 -0.000) 7.401 4.148 ( 3.868 2.690 -0.000) 4.712 4.237 ( -10.634 -3.230 0.000) 11.114 4.434 ( -4.880 1.994 -0.000) 5.272 4.758 ( 4.844 12.546 0.000) 13.449 4.853 ( -3.246 11.993 0.000) 12.424 5.061 ( 3.009 -3.222 -0.000) 4.408 5.122 ( 1.156 -1.399 -0.000) 1.815 5.268 ( 2.978 4.531 0.000) 5.422 5.504 ( 3.096 6.410 -0.000) 7.119 5.671 ( 3.556 8.499 -0.000) 9.213 5.811 ( 3.138 7.721 0.000) 8.335 5.848 ( 3.366 9.303 0.000) 9.894 6.162 ( 3.840 10.836 0.000) 11.496 6.256 ( 3.605 10.503 -0.000) 11.104 6.324 ( 3.588 11.074 0.000) 11.640 6.509 ( 8.800 -24.547 0.000) 26.077 6.705 ( 5.606 -24.513 -0.000) 25.146 6.876 ( -26.450 -34.590 -0.000) 43.544 6.920 ( -2.598 -25.730 0.000) 25.860 7.053 ( -18.026 -31.461 0.000) 36.259 7.098 ( -6.596 -22.512 -0.000) 23.458 7.264 ( 1.299 -3.384 0.000) 3.625 7.277 ( -10.709 -28.138 -0.000) 30.107 7.287 ( -4.657 -15.894 0.000) 16.562 7.398 ( -4.954 -1.460 0.000) 5.165 7.946 ( -3.006 -12.234 0.000) 12.598 7.980 ( -2.728 -14.961 0.000) 15.207 8.054 ( 0.950 -9.957 0.000) 10.002 8.152 ( -2.074 -13.352 -0.000) 13.512 8.192 ( -0.970 -7.682 0.000) 7.743 8.274 ( 0.616 -1.019 0.000) 1.190 8.291 ( 6.200 -8.094 0.000) 10.196 8.319 ( 4.058 -3.639 0.000) 5.450 8.335 ( -8.030 -9.993 -0.000) 12.819 8.513 ( -3.370 -9.761 0.000) 10.327 8.571 ( -2.191 -3.275 0.000) 3.940 8.789 ( -15.967 -16.259 0.000) 22.788 8.894 ( -9.979 -9.459 0.000) 13.749 9.073 ( -6.163 -18.370 0.000) 19.376 9.360 ( -3.144 -11.897 0.000) 12.305 9.537 ( -5.584 -6.137 0.000) 8.297 9.782 ( -3.547 -6.755 -0.000) 7.630 9.927 ( -3.532 -13.075 -0.000) 13.543 10.729 ( -4.038 -8.147 -0.000) 9.092 10.909 ( -4.712 -4.049 -0.000) 6.213 11.480 ( -1.865 -9.359 0.000) 9.543 11.507 ( -3.152 -11.512 0.000) 11.936 12.110 ( -3.175 -12.485 0.000) 12.883 12.277 ( -3.172 -10.868 0.000) 11.322 12.734 ( -2.101 -8.692 -0.000) 8.943 12.891 ( 0.396 -3.600 0.000) 3.622 13.003 ( 10.449 8.461 0.000) 13.445 13.110 ( -0.807 -4.258 0.000) 4.334 13.186 ( -7.141 2.141 0.000) 7.456 13.337 ( -1.587 -3.791 -0.000) 4.110 13.355 ( -1.903 -0.079 -0.000) 1.905 13.506 ( -1.104 -1.443 -0.000) 1.817 13.530 ( -1.589 -3.839 0.000) 4.155 13.556 ( -2.471 -2.983 -0.000) 3.874 13.563 ( -4.422 -10.931 0.000) 11.792 13.745 ( 0.352 3.262 -0.000) 3.281 13.756 ( -0.419 2.826 -0.000) 2.857 16.686 ( 2.845 14.106 0.000) 14.390 16.773 ( 4.650 7.886 0.000) 9.155 16.960 ( 4.715 11.897 0.000) 12.797 16.974 ( 4.101 11.370 -0.000) 12.087 17.096 ( 4.516 11.971 0.000) 12.794 17.130 ( 3.608 10.072 0.000) 10.699 17.237 ( 5.819 10.762 -0.000) 12.235 17.296 ( 0.999 8.472 0.000) 8.530 17.326 ( 6.250 10.306 0.000) 12.053 17.392 ( -0.062 8.055 -0.000) 8.055 ======================= Grid point 337 (56/56) ======================= q-point: ( 0.46 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.360 ( 3.078 3.078 -0.000) 4.352 3.368 ( 2.201 2.201 0.000) 3.112 3.417 ( 2.591 2.591 0.000) 3.664 3.426 ( 2.490 2.490 0.000) 3.521 3.440 ( 2.221 2.221 0.000) 3.141 3.444 ( 2.131 2.131 0.000) 3.014 3.467 ( 2.092 2.092 0.000) 2.959 3.467 ( 2.060 2.060 -0.000) 2.913 3.470 ( 4.506 4.506 -0.000) 6.372 3.512 ( -2.082 -2.082 0.000) 2.944 3.531 ( 0.110 0.110 -0.000) 0.155 3.708 ( 0.175 0.175 -0.000) 0.248 3.832 ( 1.054 1.054 0.000) 1.490 3.852 ( 0.246 0.246 -0.000) 0.347 4.054 ( 2.882 2.882 -0.000) 4.076 4.150 ( -4.901 -4.901 0.000) 6.932 4.184 ( 1.006 1.006 -0.000) 1.423 4.443 ( -0.246 -0.246 -0.000) 0.348 4.912 ( 3.786 3.786 0.000) 5.354 4.974 ( 0.174 0.174 0.000) 0.246 5.037 ( 1.139 1.139 -0.000) 1.611 5.132 ( 1.632 1.632 -0.000) 2.308 5.342 ( 2.368 2.368 0.000) 3.349 5.602 ( 2.927 2.927 -0.000) 4.140 5.794 ( 3.565 3.565 -0.000) 5.041 5.923 ( 3.226 3.226 0.000) 4.563 5.978 ( 3.725 3.725 0.000) 5.268 6.211 ( -4.760 -4.760 0.000) 6.731 6.306 ( 3.129 3.129 0.000) 4.425 6.336 ( -15.697 -15.697 -0.000) 22.199 6.399 ( 3.684 3.684 -0.000) 5.210 6.413 ( -6.319 -6.319 0.000) 8.936 6.480 ( 3.432 3.432 0.000) 4.853 6.507 ( -15.189 -15.189 -0.000) 21.480 6.655 ( -8.046 -8.046 0.000) 11.379 6.710 ( -12.914 -12.914 0.000) 18.263 6.884 ( -9.872 -9.872 -0.000) 13.961 6.901 ( -11.287 -11.287 0.000) 15.962 7.376 ( 3.799 3.799 0.000) 5.372 7.420 ( -0.617 -0.617 0.000) 0.873 7.783 ( -4.272 -4.272 0.000) 6.042 7.786 ( -4.634 -4.634 0.000) 6.554 7.927 ( -2.905 -2.905 -0.000) 4.108 7.954 ( -5.862 -5.862 -0.000) 8.291 8.092 ( -1.245 -1.245 0.000) 1.760 8.144 ( -6.251 -6.251 0.000) 8.841 8.209 ( 0.126 0.126 -0.000) 0.178 8.268 ( -2.570 -2.570 -0.000) 3.634 8.319 ( 0.454 0.454 0.000) 0.642 8.344 ( -5.288 -5.288 0.000) 7.478 8.568 ( 0.625 0.625 0.000) 0.884 8.597 ( -3.640 -3.640 0.000) 5.148 8.789 ( -5.739 -5.739 0.000) 8.117 8.790 ( -5.324 -5.324 -0.000) 7.529 9.208 ( -3.702 -3.702 0.000) 5.235 9.441 ( -3.143 -3.143 0.000) 4.444 9.689 ( -2.494 -2.494 -0.000) 3.527 9.753 ( -4.530 -4.530 -0.000) 6.406 10.607 ( -3.666 -3.666 -0.000) 5.184 10.829 ( -2.873 -2.873 -0.000) 4.063 11.357 ( -3.129 -3.129 0.000) 4.425 11.358 ( -3.716 -3.716 -0.000) 5.255 11.937 ( -4.631 -4.631 0.000) 6.549 12.125 ( -4.111 -4.111 0.000) 5.813 12.603 ( -3.777 -3.777 -0.000) 5.342 12.809 ( -2.842 -2.842 0.000) 4.019 13.003 ( -3.899 -3.899 0.000) 5.514 13.137 ( 5.213 5.213 0.000) 7.372 13.202 ( -0.993 -0.993 -0.000) 1.404 13.335 ( 1.101 1.101 -0.000) 1.557 13.358 ( -1.118 -1.118 0.000) 1.582 13.368 ( -3.866 -3.866 -0.000) 5.468 13.378 ( -4.658 -4.658 0.000) 6.587 13.560 ( 1.474 1.474 0.000) 2.084 13.573 ( 0.204 0.204 -0.000) 0.288 13.786 ( 1.058 1.058 -0.000) 1.496 13.789 ( 0.713 0.713 -0.000) 1.008 16.870 ( 4.082 4.082 0.000) 5.774 16.877 ( 3.385 3.385 0.000) 4.788 17.127 ( 4.519 4.519 0.000) 6.391 17.130 ( 4.195 4.195 -0.000) 5.933 17.261 ( 4.447 4.447 -0.000) 6.289 17.268 ( 3.689 3.689 0.000) 5.217 17.390 ( 4.475 4.475 -0.000) 6.329 17.408 ( 2.624 2.624 0.000) 3.710 17.474 ( 4.456 4.456 0.000) 6.301 17.495 ( 2.230 2.230 -0.000) 3.154 =================== 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 3/29406 10.0 2136.149 2136.149 0.000 -0.000 -0.000 0.000 3/29406 20.0 672.113 672.113 0.000 -0.000 -0.000 0.000 3/29406 30.0 324.302 324.302 0.000 0.000 0.000 0.000 3/29406 40.0 185.230 185.230 0.000 0.000 0.000 0.000 3/29406 50.0 120.785 120.785 0.000 0.000 0.000 0.000 3/29406 60.0 85.981 85.981 0.000 0.000 0.000 0.000 3/29406 70.0 65.058 65.058 0.000 0.000 0.000 0.000 3/29406 80.0 51.527 51.527 0.000 0.000 0.000 0.000 3/29406 90.0 42.291 42.291 0.000 0.000 0.000 0.000 3/29406 100.0 35.710 35.710 0.000 0.000 0.000 0.000 3/29406 110.0 30.848 30.848 0.000 0.000 0.000 0.000 3/29406 120.0 27.141 27.141 0.000 0.000 0.000 0.000 3/29406 130.0 24.239 24.239 0.000 0.000 0.000 0.000 3/29406 140.0 21.912 21.912 0.000 0.000 0.000 0.000 3/29406 150.0 20.009 20.009 0.000 0.000 0.000 0.000 3/29406 160.0 18.424 18.424 0.000 0.000 0.000 0.000 3/29406 170.0 17.085 17.085 0.000 0.000 0.000 0.000 3/29406 180.0 15.937 15.937 0.000 0.000 0.000 0.000 3/29406 190.0 14.943 14.943 0.000 0.000 0.000 0.000 3/29406 200.0 14.072 14.072 0.000 0.000 0.000 0.000 3/29406 210.0 13.302 13.302 0.000 0.000 0.000 0.000 3/29406 220.0 12.617 12.617 0.000 0.000 0.000 0.000 3/29406 230.0 12.002 12.002 0.000 0.000 0.000 0.000 3/29406 240.0 11.448 11.448 0.000 0.000 0.000 0.000 3/29406 250.0 10.945 10.945 0.000 0.000 0.000 0.000 3/29406 260.0 10.486 10.486 0.000 0.000 0.000 0.000 3/29406 270.0 10.066 10.066 0.000 0.000 0.000 0.000 3/29406 280.0 9.679 9.679 0.000 0.000 0.000 0.000 3/29406 290.0 9.322 9.322 0.000 0.000 0.000 0.000 3/29406 300.0 8.992 8.992 0.000 0.000 0.000 0.000 3/29406 310.0 8.685 8.685 0.000 0.000 0.000 0.000 3/29406 320.0 8.399 8.399 0.000 0.000 0.000 0.000 3/29406 330.0 8.131 8.131 0.000 0.000 0.000 0.000 3/29406 340.0 7.881 7.881 0.000 0.000 0.000 0.000 3/29406 350.0 7.646 7.646 0.000 0.000 0.000 0.000 3/29406 360.0 7.425 7.425 0.000 0.000 0.000 0.000 3/29406 370.0 7.216 7.216 0.000 0.000 0.000 0.000 3/29406 380.0 7.019 7.019 0.000 0.000 0.000 0.000 3/29406 390.0 6.833 6.833 0.000 0.000 0.000 0.000 3/29406 400.0 6.657 6.657 0.000 0.000 0.000 0.000 3/29406 410.0 6.490 6.490 0.000 0.000 0.000 0.000 3/29406 420.0 6.331 6.331 0.000 0.000 0.000 0.000 3/29406 430.0 6.180 6.180 0.000 0.000 0.000 0.000 3/29406 440.0 6.036 6.036 0.000 0.000 0.000 0.000 3/29406 450.0 5.898 5.898 0.000 0.000 0.000 0.000 3/29406 460.0 5.767 5.767 0.000 0.000 0.000 0.000 3/29406 470.0 5.642 5.642 0.000 0.000 0.000 0.000 3/29406 480.0 5.522 5.522 0.000 0.000 0.000 0.000 3/29406 490.0 5.407 5.407 0.000 0.000 0.000 0.000 3/29406 500.0 5.297 5.297 0.000 0.000 0.000 0.000 3/29406 510.0 5.191 5.191 0.000 0.000 0.000 0.000 3/29406 520.0 5.089 5.089 0.000 0.000 0.000 0.000 3/29406 530.0 4.992 4.992 0.000 0.000 0.000 0.000 3/29406 540.0 4.898 4.898 0.000 0.000 0.000 0.000 3/29406 550.0 4.807 4.807 0.000 0.000 0.000 0.000 3/29406 560.0 4.720 4.720 0.000 0.000 0.000 0.000 3/29406 570.0 4.636 4.636 0.000 0.000 0.000 0.000 3/29406 580.0 4.555 4.555 0.000 0.000 0.000 0.000 3/29406 590.0 4.477 4.477 0.000 0.000 0.000 0.000 3/29406 600.0 4.402 4.402 0.000 0.000 0.000 0.000 3/29406 610.0 4.329 4.329 0.000 0.000 0.000 0.000 3/29406 620.0 4.258 4.258 0.000 0.000 0.000 0.000 3/29406 630.0 4.190 4.190 0.000 0.000 0.000 0.000 3/29406 640.0 4.123 4.123 0.000 0.000 0.000 0.000 3/29406 650.0 4.059 4.059 0.000 0.000 0.000 0.000 3/29406 660.0 3.997 3.997 0.000 0.000 0.000 0.000 3/29406 670.0 3.937 3.937 0.000 0.000 0.000 0.000 3/29406 680.0 3.878 3.878 0.000 0.000 0.000 0.000 3/29406 690.0 3.822 3.822 0.000 0.000 0.000 0.000 3/29406 700.0 3.767 3.767 0.000 0.000 0.000 0.000 3/29406 710.0 3.713 3.713 0.000 0.000 0.000 0.000 3/29406 720.0 3.661 3.661 0.000 0.000 0.000 0.000 3/29406 730.0 3.611 3.611 0.000 0.000 0.000 0.000 3/29406 740.0 3.561 3.561 0.000 0.000 0.000 0.000 3/29406 750.0 3.514 3.514 0.000 0.000 0.000 0.000 3/29406 760.0 3.467 3.467 0.000 0.000 0.000 0.000 3/29406 770.0 3.422 3.422 0.000 0.000 0.000 0.000 3/29406 780.0 3.377 3.377 0.000 0.000 0.000 0.000 3/29406 790.0 3.334 3.334 0.000 0.000 0.000 0.000 3/29406 800.0 3.292 3.292 0.000 0.000 0.000 0.000 3/29406 810.0 3.252 3.252 0.000 0.000 0.000 0.000 3/29406 820.0 3.212 3.212 0.000 0.000 0.000 0.000 3/29406 830.0 3.173 3.173 0.000 0.000 0.000 0.000 3/29406 840.0 3.135 3.135 0.000 0.000 0.000 0.000 3/29406 850.0 3.098 3.098 0.000 0.000 0.000 0.000 3/29406 860.0 3.061 3.061 0.000 0.000 0.000 0.000 3/29406 870.0 3.026 3.026 0.000 0.000 0.000 0.000 3/29406 880.0 2.991 2.991 0.000 0.000 0.000 0.000 3/29406 890.0 2.958 2.958 0.000 0.000 0.000 0.000 3/29406 900.0 2.925 2.925 0.000 0.000 0.000 0.000 3/29406 910.0 2.892 2.892 0.000 0.000 0.000 0.000 3/29406 920.0 2.861 2.861 0.000 0.000 0.000 0.000 3/29406 930.0 2.830 2.830 0.000 0.000 0.000 0.000 3/29406 940.0 2.800 2.800 0.000 0.000 0.000 0.000 3/29406 950.0 2.770 2.770 0.000 0.000 0.000 0.000 3/29406 960.0 2.741 2.741 0.000 0.000 0.000 0.000 3/29406 970.0 2.713 2.713 0.000 0.000 0.000 0.000 3/29406 980.0 2.685 2.685 0.000 0.000 0.000 0.000 3/29406 990.0 2.658 2.658 0.000 0.000 0.000 0.000 3/29406 1000.0 2.631 2.631 0.000 0.000 0.000 0.000 3/29406 Thermal conductivity related properties were written into "kappa-m13132.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:43:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|