----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:48:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.909474000939847 0.000000000000000 0.000000000000000 b 0.000000000000000 4.044520790000000 0.000000000000000 c -3.256830925124711 0.000000000000000 12.489568765899135 Atomic positions (fractional): *1 Y 0.95675263032426 0.75000000000000 0.62742885655890 88.906 2 Y 0.04324736967574 0.25000000000000 0.37257114344110 88.906 *3 Y 0.46089167986784 0.75000000000000 0.61990478033541 88.906 4 Y 0.53910832013216 0.25000000000000 0.38009521966459 88.906 *5 Y 0.61516203245183 0.75000000000000 0.13868385659424 88.906 6 Y 0.38483796754817 0.25000000000000 0.86131614340576 88.906 *7 Y 0.12239928887315 0.75000000000000 0.11440003561636 88.906 8 Y 0.87760071112685 0.25000000000000 0.88559996438364 88.906 *9 Se 0.74247813287816 0.75000000000000 0.73551045343341 78.960 10 Se 0.25752186712184 0.25000000000000 0.26448954656659 78.960 *11 Se 0.17079208597791 0.75000000000000 0.51765795463403 78.960 12 Se 0.82920791402209 0.25000000000000 0.48234204536596 78.960 *13 Se 0.91145265477017 0.75000000000000 0.22869086917310 78.960 14 Se 0.08854734522983 0.25000000000000 0.77130913082690 78.960 *15 Se 0.33889955441726 0.75000000000000 0.01048295790395 78.960 16 Se 0.66110044558274 0.25000000000000 0.98951704209605 78.960 *17 F 0.42131142419824 0.75000000000000 0.79530133097503 18.998 18 F 0.57868857580176 0.25000000000000 0.20469866902497 18.998 *19 F 0.94848163812722 0.75000000000000 0.95588550870927 18.998 20 F 0.05151836187278 0.25000000000000 0.04411449129073 18.998 *21 F 0.59337723220699 0.75000000000000 0.30958914128751 18.998 22 F 0.40662276779301 0.25000000000000 0.69041085871249 18.998 *23 F 0.47543282876946 0.75000000000000 0.44808679133191 18.998 24 F 0.52456717123054 0.25000000000000 0.55191320866809 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.909474000939847 0.000000000000000 0.000000000000000 b 0.000000000000000 4.044520790000000 0.000000000000000 c -3.256830925124711 0.000000000000000 12.489568765899135 Atomic positions (fractional): *1 Y 0.95675263032426 0.75000000000000 0.62742885655890 88.906 > 1 2 Y 0.04324736967574 0.25000000000000 0.37257114344110 88.906 > 2 *3 Y 0.46089167986784 0.75000000000000 0.61990478033541 88.906 > 3 4 Y 0.53910832013216 0.25000000000000 0.38009521966459 88.906 > 4 *5 Y 0.61516203245183 0.75000000000000 0.13868385659424 88.906 > 5 6 Y 0.38483796754817 0.25000000000000 0.86131614340576 88.906 > 6 *7 Y 0.12239928887315 0.75000000000000 0.11440003561636 88.906 > 7 8 Y 0.87760071112685 0.25000000000000 0.88559996438364 88.906 > 8 *9 Se 0.74247813287816 0.75000000000000 0.73551045343341 78.960 > 9 10 Se 0.25752186712184 0.25000000000000 0.26448954656659 78.960 > 10 *11 Se 0.17079208597791 0.75000000000000 0.51765795463403 78.960 > 11 12 Se 0.82920791402209 0.25000000000000 0.48234204536596 78.960 > 12 *13 Se 0.91145265477017 0.75000000000000 0.22869086917310 78.960 > 13 14 Se 0.08854734522983 0.25000000000000 0.77130913082690 78.960 > 14 *15 Se 0.33889955441726 0.75000000000000 0.01048295790395 78.960 > 15 16 Se 0.66110044558274 0.25000000000000 0.98951704209605 78.960 > 16 *17 F 0.42131142419824 0.75000000000000 0.79530133097503 18.998 > 17 18 F 0.57868857580176 0.25000000000000 0.20469866902497 18.998 > 18 *19 F 0.94848163812722 0.75000000000000 0.95588550870927 18.998 > 19 20 F 0.05151836187278 0.25000000000000 0.04411449129073 18.998 > 20 *21 F 0.59337723220699 0.75000000000000 0.30958914128751 18.998 > 21 22 F 0.40662276779301 0.25000000000000 0.69041085871249 18.998 > 22 *23 F 0.47543282876946 0.75000000000000 0.44808679133191 18.998 > 23 24 F 0.52456717123054 0.25000000000000 0.55191320866809 18.998 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 19.818948001879694 0.000000000000000 0.000000000000000 b 0.000000000000000 12.133562370000000 0.000000000000000 c -3.256830925124711 0.000000000000000 12.489568765899135 Atomic positions (fractional): *1 Y 0.47837631516213 0.25000000000000 0.62742885655890 88.906 > 1 2 Y 0.97837631516213 0.25000000000000 0.62742885655890 88.906 > 1 3 Y 0.47837631516213 0.58333333333333 0.62742885655890 88.906 > 1 4 Y 0.97837631516213 0.58333333333333 0.62742885655890 88.906 > 1 5 Y 0.47837631516213 0.91666666666667 0.62742885655890 88.906 > 1 6 Y 0.97837631516213 0.91666666666667 0.62742885655890 88.906 > 1 7 Y 0.02162368483787 0.08333333333333 0.37257114344110 88.906 > 2 8 Y 0.52162368483787 0.08333333333333 0.37257114344110 88.906 > 2 9 Y 0.02162368483787 0.41666666666667 0.37257114344110 88.906 > 2 10 Y 0.52162368483787 0.41666666666667 0.37257114344110 88.906 > 2 11 Y 0.02162368483787 0.75000000000000 0.37257114344110 88.906 > 2 12 Y 0.52162368483787 0.75000000000000 0.37257114344110 88.906 > 2 *13 Y 0.23044583993392 0.25000000000000 0.61990478033541 88.906 > 3 14 Y 0.73044583993392 0.25000000000000 0.61990478033541 88.906 > 3 15 Y 0.23044583993392 0.58333333333333 0.61990478033541 88.906 > 3 16 Y 0.73044583993392 0.58333333333333 0.61990478033541 88.906 > 3 17 Y 0.23044583993392 0.91666666666667 0.61990478033541 88.906 > 3 18 Y 0.73044583993392 0.91666666666667 0.61990478033541 88.906 > 3 19 Y 0.26955416006608 0.08333333333333 0.38009521966459 88.906 > 4 20 Y 0.76955416006608 0.08333333333333 0.38009521966459 88.906 > 4 21 Y 0.26955416006608 0.41666666666667 0.38009521966459 88.906 > 4 22 Y 0.76955416006608 0.41666666666667 0.38009521966459 88.906 > 4 23 Y 0.26955416006608 0.75000000000000 0.38009521966459 88.906 > 4 24 Y 0.76955416006608 0.75000000000000 0.38009521966459 88.906 > 4 *25 Y 0.30758101622592 0.25000000000000 0.13868385659424 88.906 > 5 26 Y 0.80758101622592 0.25000000000000 0.13868385659424 88.906 > 5 27 Y 0.30758101622592 0.58333333333333 0.13868385659424 88.906 > 5 28 Y 0.80758101622592 0.58333333333333 0.13868385659424 88.906 > 5 29 Y 0.30758101622592 0.91666666666667 0.13868385659424 88.906 > 5 30 Y 0.80758101622592 0.91666666666667 0.13868385659424 88.906 > 5 31 Y 0.19241898377408 0.08333333333333 0.86131614340576 88.906 > 6 32 Y 0.69241898377408 0.08333333333333 0.86131614340576 88.906 > 6 33 Y 0.19241898377408 0.41666666666667 0.86131614340576 88.906 > 6 34 Y 0.69241898377408 0.41666666666667 0.86131614340576 88.906 > 6 35 Y 0.19241898377408 0.75000000000000 0.86131614340576 88.906 > 6 36 Y 0.69241898377408 0.75000000000000 0.86131614340576 88.906 > 6 *37 Y 0.06119964443658 0.25000000000000 0.11440003561636 88.906 > 7 38 Y 0.56119964443658 0.25000000000000 0.11440003561636 88.906 > 7 39 Y 0.06119964443658 0.58333333333333 0.11440003561636 88.906 > 7 40 Y 0.56119964443658 0.58333333333333 0.11440003561636 88.906 > 7 41 Y 0.06119964443658 0.91666666666667 0.11440003561636 88.906 > 7 42 Y 0.56119964443658 0.91666666666667 0.11440003561636 88.906 > 7 43 Y 0.43880035556342 0.08333333333333 0.88559996438364 88.906 > 8 44 Y 0.93880035556342 0.08333333333333 0.88559996438364 88.906 > 8 45 Y 0.43880035556342 0.41666666666667 0.88559996438364 88.906 > 8 46 Y 0.93880035556342 0.41666666666667 0.88559996438364 88.906 > 8 47 Y 0.43880035556342 0.75000000000000 0.88559996438364 88.906 > 8 48 Y 0.93880035556342 0.75000000000000 0.88559996438364 88.906 > 8 *49 Se 0.37123906643908 0.25000000000000 0.73551045343341 78.960 > 9 50 Se 0.87123906643908 0.25000000000000 0.73551045343341 78.960 > 9 51 Se 0.37123906643908 0.58333333333333 0.73551045343341 78.960 > 9 52 Se 0.87123906643908 0.58333333333333 0.73551045343341 78.960 > 9 53 Se 0.37123906643908 0.91666666666667 0.73551045343341 78.960 > 9 54 Se 0.87123906643908 0.91666666666667 0.73551045343341 78.960 > 9 55 Se 0.12876093356092 0.08333333333333 0.26448954656659 78.960 > 10 56 Se 0.62876093356092 0.08333333333333 0.26448954656659 78.960 > 10 57 Se 0.12876093356092 0.41666666666667 0.26448954656659 78.960 > 10 58 Se 0.62876093356092 0.41666666666667 0.26448954656659 78.960 > 10 59 Se 0.12876093356092 0.75000000000000 0.26448954656659 78.960 > 10 60 Se 0.62876093356092 0.75000000000000 0.26448954656659 78.960 > 10 *61 Se 0.08539604298896 0.25000000000000 0.51765795463403 78.960 > 11 62 Se 0.58539604298895 0.25000000000000 0.51765795463403 78.960 > 11 63 Se 0.08539604298896 0.58333333333333 0.51765795463403 78.960 > 11 64 Se 0.58539604298895 0.58333333333333 0.51765795463403 78.960 > 11 65 Se 0.08539604298896 0.91666666666667 0.51765795463403 78.960 > 11 66 Se 0.58539604298895 0.91666666666667 0.51765795463403 78.960 > 11 67 Se 0.41460395701105 0.08333333333333 0.48234204536596 78.960 > 12 68 Se 0.91460395701105 0.08333333333333 0.48234204536596 78.960 > 12 69 Se 0.41460395701105 0.41666666666667 0.48234204536596 78.960 > 12 70 Se 0.91460395701105 0.41666666666667 0.48234204536596 78.960 > 12 71 Se 0.41460395701105 0.75000000000000 0.48234204536596 78.960 > 12 72 Se 0.91460395701105 0.75000000000000 0.48234204536596 78.960 > 12 *73 Se 0.45572632738508 0.25000000000000 0.22869086917310 78.960 > 13 74 Se 0.95572632738508 0.25000000000000 0.22869086917310 78.960 > 13 75 Se 0.45572632738508 0.58333333333333 0.22869086917310 78.960 > 13 76 Se 0.95572632738508 0.58333333333333 0.22869086917310 78.960 > 13 77 Se 0.45572632738508 0.91666666666667 0.22869086917310 78.960 > 13 78 Se 0.95572632738508 0.91666666666667 0.22869086917310 78.960 > 13 79 Se 0.04427367261492 0.08333333333333 0.77130913082690 78.960 > 14 80 Se 0.54427367261492 0.08333333333333 0.77130913082690 78.960 > 14 81 Se 0.04427367261492 0.41666666666667 0.77130913082690 78.960 > 14 82 Se 0.54427367261492 0.41666666666667 0.77130913082690 78.960 > 14 83 Se 0.04427367261492 0.75000000000000 0.77130913082690 78.960 > 14 84 Se 0.54427367261492 0.75000000000000 0.77130913082690 78.960 > 14 *85 Se 0.16944977720863 0.25000000000000 0.01048295790395 78.960 > 15 86 Se 0.66944977720863 0.25000000000000 0.01048295790395 78.960 > 15 87 Se 0.16944977720863 0.58333333333333 0.01048295790395 78.960 > 15 88 Se 0.66944977720863 0.58333333333333 0.01048295790395 78.960 > 15 89 Se 0.16944977720863 0.91666666666667 0.01048295790395 78.960 > 15 90 Se 0.66944977720863 0.91666666666667 0.01048295790395 78.960 > 15 91 Se 0.33055022279137 0.08333333333333 0.98951704209605 78.960 > 16 92 Se 0.83055022279137 0.08333333333333 0.98951704209605 78.960 > 16 93 Se 0.33055022279137 0.41666666666667 0.98951704209605 78.960 > 16 94 Se 0.83055022279137 0.41666666666667 0.98951704209605 78.960 > 16 95 Se 0.33055022279137 0.75000000000000 0.98951704209605 78.960 > 16 96 Se 0.83055022279137 0.75000000000000 0.98951704209605 78.960 > 16 *97 F 0.21065571209912 0.25000000000000 0.79530133097503 18.998 > 17 98 F 0.71065571209912 0.25000000000000 0.79530133097503 18.998 > 17 99 F 0.21065571209912 0.58333333333333 0.79530133097503 18.998 > 17 100 F 0.71065571209912 0.58333333333333 0.79530133097503 18.998 > 17 101 F 0.21065571209912 0.91666666666667 0.79530133097503 18.998 > 17 102 F 0.71065571209912 0.91666666666667 0.79530133097503 18.998 > 17 103 F 0.28934428790088 0.08333333333333 0.20469866902497 18.998 > 18 104 F 0.78934428790088 0.08333333333333 0.20469866902497 18.998 > 18 105 F 0.28934428790088 0.41666666666667 0.20469866902497 18.998 > 18 106 F 0.78934428790088 0.41666666666667 0.20469866902497 18.998 > 18 107 F 0.28934428790088 0.75000000000000 0.20469866902497 18.998 > 18 108 F 0.78934428790088 0.75000000000000 0.20469866902497 18.998 > 18 *109 F 0.47424081906361 0.25000000000000 0.95588550870927 18.998 > 19 110 F 0.97424081906361 0.25000000000000 0.95588550870927 18.998 > 19 111 F 0.47424081906361 0.58333333333333 0.95588550870927 18.998 > 19 112 F 0.97424081906361 0.58333333333333 0.95588550870927 18.998 > 19 113 F 0.47424081906361 0.91666666666667 0.95588550870927 18.998 > 19 114 F 0.97424081906361 0.91666666666667 0.95588550870927 18.998 > 19 115 F 0.02575918093639 0.08333333333333 0.04411449129073 18.998 > 20 116 F 0.52575918093639 0.08333333333333 0.04411449129073 18.998 > 20 117 F 0.02575918093639 0.41666666666667 0.04411449129073 18.998 > 20 118 F 0.52575918093639 0.41666666666667 0.04411449129073 18.998 > 20 119 F 0.02575918093639 0.75000000000000 0.04411449129073 18.998 > 20 120 F 0.52575918093639 0.75000000000000 0.04411449129073 18.998 > 20 *121 F 0.29668861610349 0.25000000000000 0.30958914128751 18.998 > 21 122 F 0.79668861610349 0.25000000000000 0.30958914128751 18.998 > 21 123 F 0.29668861610349 0.58333333333333 0.30958914128751 18.998 > 21 124 F 0.79668861610349 0.58333333333333 0.30958914128751 18.998 > 21 125 F 0.29668861610349 0.91666666666667 0.30958914128751 18.998 > 21 126 F 0.79668861610349 0.91666666666667 0.30958914128751 18.998 > 21 127 F 0.20331138389651 0.08333333333333 0.69041085871249 18.998 > 22 128 F 0.70331138389651 0.08333333333333 0.69041085871249 18.998 > 22 129 F 0.20331138389651 0.41666666666667 0.69041085871249 18.998 > 22 130 F 0.70331138389651 0.41666666666667 0.69041085871249 18.998 > 22 131 F 0.20331138389651 0.75000000000000 0.69041085871249 18.998 > 22 132 F 0.70331138389651 0.75000000000000 0.69041085871249 18.998 > 22 *133 F 0.23771641438473 0.25000000000000 0.44808679133191 18.998 > 23 134 F 0.73771641438473 0.25000000000000 0.44808679133191 18.998 > 23 135 F 0.23771641438473 0.58333333333333 0.44808679133191 18.998 > 23 136 F 0.73771641438473 0.58333333333333 0.44808679133191 18.998 > 23 137 F 0.23771641438473 0.91666666666667 0.44808679133191 18.998 > 23 138 F 0.73771641438473 0.91666666666667 0.44808679133191 18.998 > 23 139 F 0.26228358561527 0.08333333333333 0.55191320866809 18.998 > 24 140 F 0.76228358561527 0.08333333333333 0.55191320866809 18.998 > 24 141 F 0.26228358561527 0.41666666666667 0.55191320866809 18.998 > 24 142 F 0.76228358561527 0.41666666666667 0.55191320866809 18.998 > 24 143 F 0.26228358561527 0.75000000000000 0.55191320866809 18.998 > 24 144 F 0.76228358561527 0.75000000000000 0.55191320866809 18.998 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9502268 0.0000000 0.1111786 0.0000000 5.4882744 0.0000000 0.1111811 0.0000000 5.3430520 -------------------------- Born effective charges -------------------------- 1 Y 2.7604095 0.0000000 -0.7922811 0.0000000 4.3356000 0.0000000 -0.6173663 0.0000000 3.6191970 2 Y 2.7604095 0.0000000 -0.7922811 0.0000000 4.3356000 0.0000000 -0.6173663 0.0000000 3.6191970 3 Y 5.3523316 0.0000000 0.7575870 0.0000000 3.6349050 0.0000000 0.5526122 0.0000000 4.1475365 4 Y 5.3523316 0.0000000 0.7575870 0.0000000 3.6349050 0.0000000 0.5526122 0.0000000 4.1475365 5 Y 4.1445120 0.0000000 0.7497036 0.0000000 3.7654780 0.0000000 0.5618500 0.0000000 3.9776184 6 Y 4.1445120 0.0000000 0.7497036 0.0000000 3.7654780 0.0000000 0.5618500 0.0000000 3.9776184 7 Y 3.8853330 0.0000000 -0.6953251 0.0000000 3.8242903 0.0000000 -0.4841048 0.0000000 4.1399125 8 Y 3.8853330 0.0000000 -0.6953251 0.0000000 3.8242903 0.0000000 -0.4841048 0.0000000 4.1399125 9 Se -2.7765388 0.0000000 -0.0778386 0.0000000 -1.8567030 0.0000000 -0.1133152 0.0000000 -1.9661510 10 Se -2.7765388 0.0000000 -0.0778386 0.0000000 -1.8567030 0.0000000 -0.1133152 0.0000000 -1.9661510 11 Se -2.6219314 0.0000000 -0.2191669 0.0000000 -2.4038710 0.0000000 -0.2525024 0.0000000 -2.2649578 12 Se -2.6219314 0.0000000 -0.2191669 0.0000000 -2.4038710 0.0000000 -0.2525024 0.0000000 -2.2649578 13 Se -2.6851459 0.0000000 -0.2749533 0.0000000 -2.4381488 0.0000000 -0.5242085 0.0000000 -2.2814524 14 Se -2.6851459 0.0000000 -0.2749533 0.0000000 -2.4381488 0.0000000 -0.5242085 0.0000000 -2.2814524 15 Se -2.8784594 0.0000000 0.1017318 0.0000000 -1.7963487 0.0000000 0.4334017 0.0000000 -2.1145689 16 Se -2.8784594 0.0000000 0.1017318 0.0000000 -1.7963487 0.0000000 0.4334017 0.0000000 -2.1145689 17 F -1.3006025 0.0000000 0.4036832 0.0000000 -1.9231366 0.0000000 0.4597898 0.0000000 -1.8461968 18 F -1.3006025 0.0000000 0.4036832 0.0000000 -1.9231366 0.0000000 0.4597898 0.0000000 -1.8461968 19 F -1.2063752 0.0000000 -0.4566793 0.0000000 -1.9147425 0.0000000 -0.5448734 0.0000000 -2.0739929 20 F -1.2063752 0.0000000 -0.4566793 0.0000000 -1.9147425 0.0000000 -0.5448734 0.0000000 -2.0739929 21 F -1.3236346 0.0000000 0.2519043 0.0000000 -1.6295877 0.0000000 0.2767672 0.0000000 -1.7729403 22 F -1.3236346 0.0000000 0.2519043 0.0000000 -1.6295877 0.0000000 0.2767672 0.0000000 -1.7729403 23 F -1.3498983 0.0000000 0.2516345 0.0000000 -1.5977350 0.0000000 0.2519496 0.0000000 -1.5640045 24 F -1.3498983 0.0000000 0.2516345 0.0000000 -1.5977350 0.0000000 0.2519496 0.0000000 -1.5640045 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4176 Number of blocks in projector: 4176 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. Tree of FC basis block matrices: - (4176, 4117), data: False |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 36), data: (1152, 59) @ (59, 36) |-- (152, 139), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 1.368 Solver_block: 200 / 720 - Time: 1.193 Solver_block: 300 / 720 - Time: 1.186 Solver_block: 400 / 720 - Time: 1.193 Solver_block: 500 / 720 - Time: 1.185 Solver_block: 600 / 720 - Time: 1.191 Solver_block: 700 / 720 - Time: 1.196 Solver_block: 720 / 720 - Time: 0.375 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.117 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4176 Number of blocks in projector: 4176 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. Tree of FC basis block matrices: - (4176, 4117), data: False |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 36), data: (1152, 59) @ (59, 36) |-- (152, 139), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), 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 21:49:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:49:07]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.909474000939847 0.000000000000000 0.000000000000000 b 0.000000000000000 4.044520790000000 0.000000000000000 c -3.256830925124711 0.000000000000000 12.489568765899135 Atomic positions (fractional): 1 Y 0.95675263032426 0.75000000000000 0.62742885655890 88.906 2 Y 0.04324736967574 0.25000000000000 0.37257114344110 88.906 3 Y 0.46089167986784 0.75000000000000 0.61990478033541 88.906 4 Y 0.53910832013216 0.25000000000000 0.38009521966459 88.906 5 Y 0.61516203245183 0.75000000000000 0.13868385659424 88.906 6 Y 0.38483796754817 0.25000000000000 0.86131614340576 88.906 7 Y 0.12239928887315 0.75000000000000 0.11440003561636 88.906 8 Y 0.87760071112685 0.25000000000000 0.88559996438364 88.906 9 Se 0.74247813287816 0.75000000000000 0.73551045343341 78.960 10 Se 0.25752186712184 0.25000000000000 0.26448954656659 78.960 11 Se 0.17079208597791 0.75000000000000 0.51765795463403 78.960 12 Se 0.82920791402209 0.25000000000000 0.48234204536596 78.960 13 Se 0.91145265477017 0.75000000000000 0.22869086917310 78.960 14 Se 0.08854734522983 0.25000000000000 0.77130913082690 78.960 15 Se 0.33889955441726 0.75000000000000 0.01048295790395 78.960 16 Se 0.66110044558274 0.25000000000000 0.98951704209605 78.960 17 F 0.42131142419824 0.75000000000000 0.79530133097503 18.998 18 F 0.57868857580176 0.25000000000000 0.20469866902497 18.998 19 F 0.94848163812722 0.75000000000000 0.95588550870927 18.998 20 F 0.05151836187278 0.25000000000000 0.04411449129073 18.998 21 F 0.59337723220699 0.75000000000000 0.30958914128751 18.998 22 F 0.40662276779301 0.25000000000000 0.69041085871249 18.998 23 F 0.47543282876946 0.75000000000000 0.44808679133191 18.998 24 F 0.52456717123054 0.25000000000000 0.55191320866809 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.818948001879694 0.000000000000000 0.000000000000000 b 0.000000000000000 12.133562370000000 0.000000000000000 c -3.256830925124711 0.000000000000000 12.489568765899135 Atomic positions (fractional): 1 Y 0.47837631516213 0.25000000000000 0.62742885655890 88.906 > 1 2 Y 0.97837631516213 0.25000000000000 0.62742885655890 88.906 > 1 3 Y 0.47837631516213 0.58333333333333 0.62742885655890 88.906 > 1 4 Y 0.97837631516213 0.58333333333333 0.62742885655890 88.906 > 1 5 Y 0.47837631516213 0.91666666666667 0.62742885655890 88.906 > 1 6 Y 0.97837631516213 0.91666666666667 0.62742885655890 88.906 > 1 7 Y 0.02162368483787 0.08333333333333 0.37257114344110 88.906 > 7 8 Y 0.52162368483787 0.08333333333333 0.37257114344110 88.906 > 7 9 Y 0.02162368483787 0.41666666666667 0.37257114344110 88.906 > 7 10 Y 0.52162368483787 0.41666666666667 0.37257114344110 88.906 > 7 11 Y 0.02162368483787 0.75000000000000 0.37257114344110 88.906 > 7 12 Y 0.52162368483787 0.75000000000000 0.37257114344110 88.906 > 7 13 Y 0.23044583993392 0.25000000000000 0.61990478033541 88.906 > 13 14 Y 0.73044583993392 0.25000000000000 0.61990478033541 88.906 > 13 15 Y 0.23044583993392 0.58333333333333 0.61990478033541 88.906 > 13 16 Y 0.73044583993392 0.58333333333333 0.61990478033541 88.906 > 13 17 Y 0.23044583993392 0.91666666666667 0.61990478033541 88.906 > 13 18 Y 0.73044583993392 0.91666666666667 0.61990478033541 88.906 > 13 19 Y 0.26955416006608 0.08333333333333 0.38009521966459 88.906 > 19 20 Y 0.76955416006608 0.08333333333333 0.38009521966459 88.906 > 19 21 Y 0.26955416006608 0.41666666666667 0.38009521966459 88.906 > 19 22 Y 0.76955416006608 0.41666666666667 0.38009521966459 88.906 > 19 23 Y 0.26955416006608 0.75000000000000 0.38009521966459 88.906 > 19 24 Y 0.76955416006608 0.75000000000000 0.38009521966459 88.906 > 19 25 Y 0.30758101622592 0.25000000000000 0.13868385659424 88.906 > 25 26 Y 0.80758101622592 0.25000000000000 0.13868385659424 88.906 > 25 27 Y 0.30758101622592 0.58333333333333 0.13868385659424 88.906 > 25 28 Y 0.80758101622592 0.58333333333333 0.13868385659424 88.906 > 25 29 Y 0.30758101622592 0.91666666666667 0.13868385659424 88.906 > 25 30 Y 0.80758101622592 0.91666666666667 0.13868385659424 88.906 > 25 31 Y 0.19241898377408 0.08333333333333 0.86131614340576 88.906 > 31 32 Y 0.69241898377408 0.08333333333333 0.86131614340576 88.906 > 31 33 Y 0.19241898377408 0.41666666666667 0.86131614340576 88.906 > 31 34 Y 0.69241898377408 0.41666666666667 0.86131614340576 88.906 > 31 35 Y 0.19241898377408 0.75000000000000 0.86131614340576 88.906 > 31 36 Y 0.69241898377408 0.75000000000000 0.86131614340576 88.906 > 31 37 Y 0.06119964443658 0.25000000000000 0.11440003561636 88.906 > 37 38 Y 0.56119964443658 0.25000000000000 0.11440003561636 88.906 > 37 39 Y 0.06119964443658 0.58333333333333 0.11440003561636 88.906 > 37 40 Y 0.56119964443658 0.58333333333333 0.11440003561636 88.906 > 37 41 Y 0.06119964443658 0.91666666666667 0.11440003561636 88.906 > 37 42 Y 0.56119964443658 0.91666666666667 0.11440003561636 88.906 > 37 43 Y 0.43880035556342 0.08333333333333 0.88559996438364 88.906 > 43 44 Y 0.93880035556342 0.08333333333333 0.88559996438364 88.906 > 43 45 Y 0.43880035556342 0.41666666666667 0.88559996438364 88.906 > 43 46 Y 0.93880035556342 0.41666666666667 0.88559996438364 88.906 > 43 47 Y 0.43880035556342 0.75000000000000 0.88559996438364 88.906 > 43 48 Y 0.93880035556342 0.75000000000000 0.88559996438364 88.906 > 43 49 Se 0.37123906643908 0.25000000000000 0.73551045343341 78.960 > 49 50 Se 0.87123906643908 0.25000000000000 0.73551045343341 78.960 > 49 51 Se 0.37123906643908 0.58333333333333 0.73551045343341 78.960 > 49 52 Se 0.87123906643908 0.58333333333333 0.73551045343341 78.960 > 49 53 Se 0.37123906643908 0.91666666666667 0.73551045343341 78.960 > 49 54 Se 0.87123906643908 0.91666666666667 0.73551045343341 78.960 > 49 55 Se 0.12876093356092 0.08333333333333 0.26448954656659 78.960 > 55 56 Se 0.62876093356092 0.08333333333333 0.26448954656659 78.960 > 55 57 Se 0.12876093356092 0.41666666666667 0.26448954656659 78.960 > 55 58 Se 0.62876093356092 0.41666666666667 0.26448954656659 78.960 > 55 59 Se 0.12876093356092 0.75000000000000 0.26448954656659 78.960 > 55 60 Se 0.62876093356092 0.75000000000000 0.26448954656659 78.960 > 55 61 Se 0.08539604298896 0.25000000000000 0.51765795463403 78.960 > 61 62 Se 0.58539604298895 0.25000000000000 0.51765795463403 78.960 > 61 63 Se 0.08539604298896 0.58333333333333 0.51765795463403 78.960 > 61 64 Se 0.58539604298895 0.58333333333333 0.51765795463403 78.960 > 61 65 Se 0.08539604298896 0.91666666666667 0.51765795463403 78.960 > 61 66 Se 0.58539604298895 0.91666666666667 0.51765795463403 78.960 > 61 67 Se 0.41460395701105 0.08333333333333 0.48234204536596 78.960 > 67 68 Se 0.91460395701105 0.08333333333333 0.48234204536596 78.960 > 67 69 Se 0.41460395701105 0.41666666666667 0.48234204536596 78.960 > 67 70 Se 0.91460395701105 0.41666666666667 0.48234204536596 78.960 > 67 71 Se 0.41460395701105 0.75000000000000 0.48234204536596 78.960 > 67 72 Se 0.91460395701105 0.75000000000000 0.48234204536596 78.960 > 67 73 Se 0.45572632738508 0.25000000000000 0.22869086917310 78.960 > 73 74 Se 0.95572632738508 0.25000000000000 0.22869086917310 78.960 > 73 75 Se 0.45572632738508 0.58333333333333 0.22869086917310 78.960 > 73 76 Se 0.95572632738508 0.58333333333333 0.22869086917310 78.960 > 73 77 Se 0.45572632738508 0.91666666666667 0.22869086917310 78.960 > 73 78 Se 0.95572632738508 0.91666666666667 0.22869086917310 78.960 > 73 79 Se 0.04427367261492 0.08333333333333 0.77130913082690 78.960 > 79 80 Se 0.54427367261492 0.08333333333333 0.77130913082690 78.960 > 79 81 Se 0.04427367261492 0.41666666666667 0.77130913082690 78.960 > 79 82 Se 0.54427367261492 0.41666666666667 0.77130913082690 78.960 > 79 83 Se 0.04427367261492 0.75000000000000 0.77130913082690 78.960 > 79 84 Se 0.54427367261492 0.75000000000000 0.77130913082690 78.960 > 79 85 Se 0.16944977720863 0.25000000000000 0.01048295790395 78.960 > 85 86 Se 0.66944977720863 0.25000000000000 0.01048295790395 78.960 > 85 87 Se 0.16944977720863 0.58333333333333 0.01048295790395 78.960 > 85 88 Se 0.66944977720863 0.58333333333333 0.01048295790395 78.960 > 85 89 Se 0.16944977720863 0.91666666666667 0.01048295790395 78.960 > 85 90 Se 0.66944977720863 0.91666666666667 0.01048295790395 78.960 > 85 91 Se 0.33055022279137 0.08333333333333 0.98951704209605 78.960 > 91 92 Se 0.83055022279137 0.08333333333333 0.98951704209605 78.960 > 91 93 Se 0.33055022279137 0.41666666666667 0.98951704209605 78.960 > 91 94 Se 0.83055022279137 0.41666666666667 0.98951704209605 78.960 > 91 95 Se 0.33055022279137 0.75000000000000 0.98951704209605 78.960 > 91 96 Se 0.83055022279137 0.75000000000000 0.98951704209605 78.960 > 91 97 F 0.21065571209912 0.25000000000000 0.79530133097503 18.998 > 97 98 F 0.71065571209912 0.25000000000000 0.79530133097503 18.998 > 97 99 F 0.21065571209912 0.58333333333333 0.79530133097503 18.998 > 97 100 F 0.71065571209912 0.58333333333333 0.79530133097503 18.998 > 97 101 F 0.21065571209912 0.91666666666667 0.79530133097503 18.998 > 97 102 F 0.71065571209912 0.91666666666667 0.79530133097503 18.998 > 97 103 F 0.28934428790088 0.08333333333333 0.20469866902497 18.998 > 103 104 F 0.78934428790088 0.08333333333333 0.20469866902497 18.998 > 103 105 F 0.28934428790088 0.41666666666667 0.20469866902497 18.998 > 103 106 F 0.78934428790088 0.41666666666667 0.20469866902497 18.998 > 103 107 F 0.28934428790088 0.75000000000000 0.20469866902497 18.998 > 103 108 F 0.78934428790088 0.75000000000000 0.20469866902497 18.998 > 103 109 F 0.47424081906361 0.25000000000000 0.95588550870927 18.998 > 109 110 F 0.97424081906361 0.25000000000000 0.95588550870927 18.998 > 109 111 F 0.47424081906361 0.58333333333333 0.95588550870927 18.998 > 109 112 F 0.97424081906361 0.58333333333333 0.95588550870927 18.998 > 109 113 F 0.47424081906361 0.91666666666667 0.95588550870927 18.998 > 109 114 F 0.97424081906361 0.91666666666667 0.95588550870927 18.998 > 109 115 F 0.02575918093639 0.08333333333333 0.04411449129073 18.998 > 115 116 F 0.52575918093639 0.08333333333333 0.04411449129073 18.998 > 115 117 F 0.02575918093639 0.41666666666667 0.04411449129073 18.998 > 115 118 F 0.52575918093639 0.41666666666667 0.04411449129073 18.998 > 115 119 F 0.02575918093639 0.75000000000000 0.04411449129073 18.998 > 115 120 F 0.52575918093639 0.75000000000000 0.04411449129073 18.998 > 115 121 F 0.29668861610349 0.25000000000000 0.30958914128751 18.998 > 121 122 F 0.79668861610349 0.25000000000000 0.30958914128751 18.998 > 121 123 F 0.29668861610349 0.58333333333333 0.30958914128751 18.998 > 121 124 F 0.79668861610349 0.58333333333333 0.30958914128751 18.998 > 121 125 F 0.29668861610349 0.91666666666667 0.30958914128751 18.998 > 121 126 F 0.79668861610349 0.91666666666667 0.30958914128751 18.998 > 121 127 F 0.20331138389651 0.08333333333333 0.69041085871249 18.998 > 127 128 F 0.70331138389651 0.08333333333333 0.69041085871249 18.998 > 127 129 F 0.20331138389651 0.41666666666667 0.69041085871249 18.998 > 127 130 F 0.70331138389651 0.41666666666667 0.69041085871249 18.998 > 127 131 F 0.20331138389651 0.75000000000000 0.69041085871249 18.998 > 127 132 F 0.70331138389651 0.75000000000000 0.69041085871249 18.998 > 127 133 F 0.23771641438473 0.25000000000000 0.44808679133191 18.998 > 133 134 F 0.73771641438473 0.25000000000000 0.44808679133191 18.998 > 133 135 F 0.23771641438473 0.58333333333333 0.44808679133191 18.998 > 133 136 F 0.73771641438473 0.58333333333333 0.44808679133191 18.998 > 133 137 F 0.23771641438473 0.91666666666667 0.44808679133191 18.998 > 133 138 F 0.73771641438473 0.91666666666667 0.44808679133191 18.998 > 133 139 F 0.26228358561527 0.08333333333333 0.55191320866809 18.998 > 139 140 F 0.76228358561527 0.08333333333333 0.55191320866809 18.998 > 139 141 F 0.26228358561527 0.41666666666667 0.55191320866809 18.998 > 139 142 F 0.76228358561527 0.41666666666667 0.55191320866809 18.998 > 139 143 F 0.26228358561527 0.75000000000000 0.55191320866809 18.998 > 139 144 F 0.76228358561527 0.75000000000000 0.55191320866809 18.998 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.9502268 0.0000000 0.1111786 0.0000000 5.4882744 0.0000000 0.1111811 0.0000000 5.3430520 -------------------------- Born effective charges -------------------------- 1 Y 2.7604095 0.0000000 -0.7922811 0.0000000 4.3356000 0.0000000 -0.6173663 0.0000000 3.6191970 2 Y 2.7604095 0.0000000 -0.7922811 0.0000000 4.3356000 0.0000000 -0.6173663 0.0000000 3.6191970 3 Y 5.3523316 0.0000000 0.7575870 0.0000000 3.6349050 0.0000000 0.5526122 0.0000000 4.1475365 4 Y 5.3523316 0.0000000 0.7575870 0.0000000 3.6349050 0.0000000 0.5526122 0.0000000 4.1475365 5 Y 4.1445120 0.0000000 0.7497036 0.0000000 3.7654780 0.0000000 0.5618500 0.0000000 3.9776184 6 Y 4.1445120 0.0000000 0.7497036 0.0000000 3.7654780 0.0000000 0.5618500 0.0000000 3.9776184 7 Y 3.8853330 0.0000000 -0.6953251 0.0000000 3.8242903 0.0000000 -0.4841048 0.0000000 4.1399125 8 Y 3.8853330 0.0000000 -0.6953251 0.0000000 3.8242903 0.0000000 -0.4841048 0.0000000 4.1399125 9 Se -2.7765388 0.0000000 -0.0778386 0.0000000 -1.8567030 0.0000000 -0.1133152 0.0000000 -1.9661510 10 Se -2.7765388 0.0000000 -0.0778386 0.0000000 -1.8567030 0.0000000 -0.1133152 0.0000000 -1.9661510 11 Se -2.6219314 0.0000000 -0.2191669 0.0000000 -2.4038710 0.0000000 -0.2525024 0.0000000 -2.2649578 12 Se -2.6219314 0.0000000 -0.2191669 0.0000000 -2.4038710 0.0000000 -0.2525024 0.0000000 -2.2649578 13 Se -2.6851459 0.0000000 -0.2749533 0.0000000 -2.4381488 0.0000000 -0.5242085 0.0000000 -2.2814524 14 Se -2.6851459 0.0000000 -0.2749533 0.0000000 -2.4381488 0.0000000 -0.5242085 0.0000000 -2.2814524 15 Se -2.8784594 0.0000000 0.1017318 0.0000000 -1.7963487 0.0000000 0.4334017 0.0000000 -2.1145689 16 Se -2.8784594 0.0000000 0.1017318 0.0000000 -1.7963487 0.0000000 0.4334017 0.0000000 -2.1145689 17 F -1.3006025 0.0000000 0.4036832 0.0000000 -1.9231366 0.0000000 0.4597898 0.0000000 -1.8461968 18 F -1.3006025 0.0000000 0.4036832 0.0000000 -1.9231366 0.0000000 0.4597898 0.0000000 -1.8461968 19 F -1.2063752 0.0000000 -0.4566793 0.0000000 -1.9147425 0.0000000 -0.5448734 0.0000000 -2.0739929 20 F -1.2063752 0.0000000 -0.4566793 0.0000000 -1.9147425 0.0000000 -0.5448734 0.0000000 -2.0739929 21 F -1.3236346 0.0000000 0.2519043 0.0000000 -1.6295877 0.0000000 0.2767672 0.0000000 -1.7729403 22 F -1.3236346 0.0000000 0.2519043 0.0000000 -1.6295877 0.0000000 0.2767672 0.0000000 -1.7729403 23 F -1.3498983 0.0000000 0.2516345 0.0000000 -1.5977350 0.0000000 0.2519496 0.0000000 -1.5640045 24 F -1.3498983 0.0000000 0.2516345 0.0000000 -1.5977350 0.0000000 0.2519496 0.0000000 -1.5640045 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 133, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:50:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:50:04]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.909474000939847 0.000000000000000 0.000000000000000 b 0.000000000000000 4.044520790000000 0.000000000000000 c -3.256830925124711 0.000000000000000 12.489568765899135 Atomic positions (fractional): 1 Y 0.95675263032426 0.75000000000000 0.62742885655890 88.906 2 Y 0.04324736967574 0.25000000000000 0.37257114344110 88.906 3 Y 0.46089167986784 0.75000000000000 0.61990478033541 88.906 4 Y 0.53910832013216 0.25000000000000 0.38009521966459 88.906 5 Y 0.61516203245183 0.75000000000000 0.13868385659424 88.906 6 Y 0.38483796754817 0.25000000000000 0.86131614340576 88.906 7 Y 0.12239928887315 0.75000000000000 0.11440003561636 88.906 8 Y 0.87760071112685 0.25000000000000 0.88559996438364 88.906 9 Se 0.74247813287816 0.75000000000000 0.73551045343341 78.960 10 Se 0.25752186712184 0.25000000000000 0.26448954656659 78.960 11 Se 0.17079208597791 0.75000000000000 0.51765795463403 78.960 12 Se 0.82920791402209 0.25000000000000 0.48234204536596 78.960 13 Se 0.91145265477017 0.75000000000000 0.22869086917310 78.960 14 Se 0.08854734522983 0.25000000000000 0.77130913082690 78.960 15 Se 0.33889955441726 0.75000000000000 0.01048295790395 78.960 16 Se 0.66110044558274 0.25000000000000 0.98951704209605 78.960 17 F 0.42131142419824 0.75000000000000 0.79530133097503 18.998 18 F 0.57868857580176 0.25000000000000 0.20469866902497 18.998 19 F 0.94848163812722 0.75000000000000 0.95588550870927 18.998 20 F 0.05151836187278 0.25000000000000 0.04411449129073 18.998 21 F 0.59337723220699 0.75000000000000 0.30958914128751 18.998 22 F 0.40662276779301 0.25000000000000 0.69041085871249 18.998 23 F 0.47543282876946 0.75000000000000 0.44808679133191 18.998 24 F 0.52456717123054 0.25000000000000 0.55191320866809 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 19.818948001879694 0.000000000000000 0.000000000000000 b 0.000000000000000 12.133562370000000 0.000000000000000 c -3.256830925124711 0.000000000000000 12.489568765899135 Atomic positions (fractional): 1 Y 0.47837631516213 0.25000000000000 0.62742885655890 88.906 > 1 2 Y 0.97837631516213 0.25000000000000 0.62742885655890 88.906 > 1 3 Y 0.47837631516213 0.58333333333333 0.62742885655890 88.906 > 1 4 Y 0.97837631516213 0.58333333333333 0.62742885655890 88.906 > 1 5 Y 0.47837631516213 0.91666666666667 0.62742885655890 88.906 > 1 6 Y 0.97837631516213 0.91666666666667 0.62742885655890 88.906 > 1 7 Y 0.02162368483787 0.08333333333333 0.37257114344110 88.906 > 7 8 Y 0.52162368483787 0.08333333333333 0.37257114344110 88.906 > 7 9 Y 0.02162368483787 0.41666666666667 0.37257114344110 88.906 > 7 10 Y 0.52162368483787 0.41666666666667 0.37257114344110 88.906 > 7 11 Y 0.02162368483787 0.75000000000000 0.37257114344110 88.906 > 7 12 Y 0.52162368483787 0.75000000000000 0.37257114344110 88.906 > 7 13 Y 0.23044583993392 0.25000000000000 0.61990478033541 88.906 > 13 14 Y 0.73044583993392 0.25000000000000 0.61990478033541 88.906 > 13 15 Y 0.23044583993392 0.58333333333333 0.61990478033541 88.906 > 13 16 Y 0.73044583993392 0.58333333333333 0.61990478033541 88.906 > 13 17 Y 0.23044583993392 0.91666666666667 0.61990478033541 88.906 > 13 18 Y 0.73044583993392 0.91666666666667 0.61990478033541 88.906 > 13 19 Y 0.26955416006608 0.08333333333333 0.38009521966459 88.906 > 19 20 Y 0.76955416006608 0.08333333333333 0.38009521966459 88.906 > 19 21 Y 0.26955416006608 0.41666666666667 0.38009521966459 88.906 > 19 22 Y 0.76955416006608 0.41666666666667 0.38009521966459 88.906 > 19 23 Y 0.26955416006608 0.75000000000000 0.38009521966459 88.906 > 19 24 Y 0.76955416006608 0.75000000000000 0.38009521966459 88.906 > 19 25 Y 0.30758101622592 0.25000000000000 0.13868385659424 88.906 > 25 26 Y 0.80758101622592 0.25000000000000 0.13868385659424 88.906 > 25 27 Y 0.30758101622592 0.58333333333333 0.13868385659424 88.906 > 25 28 Y 0.80758101622592 0.58333333333333 0.13868385659424 88.906 > 25 29 Y 0.30758101622592 0.91666666666667 0.13868385659424 88.906 > 25 30 Y 0.80758101622592 0.91666666666667 0.13868385659424 88.906 > 25 31 Y 0.19241898377408 0.08333333333333 0.86131614340576 88.906 > 31 32 Y 0.69241898377408 0.08333333333333 0.86131614340576 88.906 > 31 33 Y 0.19241898377408 0.41666666666667 0.86131614340576 88.906 > 31 34 Y 0.69241898377408 0.41666666666667 0.86131614340576 88.906 > 31 35 Y 0.19241898377408 0.75000000000000 0.86131614340576 88.906 > 31 36 Y 0.69241898377408 0.75000000000000 0.86131614340576 88.906 > 31 37 Y 0.06119964443658 0.25000000000000 0.11440003561636 88.906 > 37 38 Y 0.56119964443658 0.25000000000000 0.11440003561636 88.906 > 37 39 Y 0.06119964443658 0.58333333333333 0.11440003561636 88.906 > 37 40 Y 0.56119964443658 0.58333333333333 0.11440003561636 88.906 > 37 41 Y 0.06119964443658 0.91666666666667 0.11440003561636 88.906 > 37 42 Y 0.56119964443658 0.91666666666667 0.11440003561636 88.906 > 37 43 Y 0.43880035556342 0.08333333333333 0.88559996438364 88.906 > 43 44 Y 0.93880035556342 0.08333333333333 0.88559996438364 88.906 > 43 45 Y 0.43880035556342 0.41666666666667 0.88559996438364 88.906 > 43 46 Y 0.93880035556342 0.41666666666667 0.88559996438364 88.906 > 43 47 Y 0.43880035556342 0.75000000000000 0.88559996438364 88.906 > 43 48 Y 0.93880035556342 0.75000000000000 0.88559996438364 88.906 > 43 49 Se 0.37123906643908 0.25000000000000 0.73551045343341 78.960 > 49 50 Se 0.87123906643908 0.25000000000000 0.73551045343341 78.960 > 49 51 Se 0.37123906643908 0.58333333333333 0.73551045343341 78.960 > 49 52 Se 0.87123906643908 0.58333333333333 0.73551045343341 78.960 > 49 53 Se 0.37123906643908 0.91666666666667 0.73551045343341 78.960 > 49 54 Se 0.87123906643908 0.91666666666667 0.73551045343341 78.960 > 49 55 Se 0.12876093356092 0.08333333333333 0.26448954656659 78.960 > 55 56 Se 0.62876093356092 0.08333333333333 0.26448954656659 78.960 > 55 57 Se 0.12876093356092 0.41666666666667 0.26448954656659 78.960 > 55 58 Se 0.62876093356092 0.41666666666667 0.26448954656659 78.960 > 55 59 Se 0.12876093356092 0.75000000000000 0.26448954656659 78.960 > 55 60 Se 0.62876093356092 0.75000000000000 0.26448954656659 78.960 > 55 61 Se 0.08539604298896 0.25000000000000 0.51765795463403 78.960 > 61 62 Se 0.58539604298895 0.25000000000000 0.51765795463403 78.960 > 61 63 Se 0.08539604298896 0.58333333333333 0.51765795463403 78.960 > 61 64 Se 0.58539604298895 0.58333333333333 0.51765795463403 78.960 > 61 65 Se 0.08539604298896 0.91666666666667 0.51765795463403 78.960 > 61 66 Se 0.58539604298895 0.91666666666667 0.51765795463403 78.960 > 61 67 Se 0.41460395701105 0.08333333333333 0.48234204536596 78.960 > 67 68 Se 0.91460395701105 0.08333333333333 0.48234204536596 78.960 > 67 69 Se 0.41460395701105 0.41666666666667 0.48234204536596 78.960 > 67 70 Se 0.91460395701105 0.41666666666667 0.48234204536596 78.960 > 67 71 Se 0.41460395701105 0.75000000000000 0.48234204536596 78.960 > 67 72 Se 0.91460395701105 0.75000000000000 0.48234204536596 78.960 > 67 73 Se 0.45572632738508 0.25000000000000 0.22869086917310 78.960 > 73 74 Se 0.95572632738508 0.25000000000000 0.22869086917310 78.960 > 73 75 Se 0.45572632738508 0.58333333333333 0.22869086917310 78.960 > 73 76 Se 0.95572632738508 0.58333333333333 0.22869086917310 78.960 > 73 77 Se 0.45572632738508 0.91666666666667 0.22869086917310 78.960 > 73 78 Se 0.95572632738508 0.91666666666667 0.22869086917310 78.960 > 73 79 Se 0.04427367261492 0.08333333333333 0.77130913082690 78.960 > 79 80 Se 0.54427367261492 0.08333333333333 0.77130913082690 78.960 > 79 81 Se 0.04427367261492 0.41666666666667 0.77130913082690 78.960 > 79 82 Se 0.54427367261492 0.41666666666667 0.77130913082690 78.960 > 79 83 Se 0.04427367261492 0.75000000000000 0.77130913082690 78.960 > 79 84 Se 0.54427367261492 0.75000000000000 0.77130913082690 78.960 > 79 85 Se 0.16944977720863 0.25000000000000 0.01048295790395 78.960 > 85 86 Se 0.66944977720863 0.25000000000000 0.01048295790395 78.960 > 85 87 Se 0.16944977720863 0.58333333333333 0.01048295790395 78.960 > 85 88 Se 0.66944977720863 0.58333333333333 0.01048295790395 78.960 > 85 89 Se 0.16944977720863 0.91666666666667 0.01048295790395 78.960 > 85 90 Se 0.66944977720863 0.91666666666667 0.01048295790395 78.960 > 85 91 Se 0.33055022279137 0.08333333333333 0.98951704209605 78.960 > 91 92 Se 0.83055022279137 0.08333333333333 0.98951704209605 78.960 > 91 93 Se 0.33055022279137 0.41666666666667 0.98951704209605 78.960 > 91 94 Se 0.83055022279137 0.41666666666667 0.98951704209605 78.960 > 91 95 Se 0.33055022279137 0.75000000000000 0.98951704209605 78.960 > 91 96 Se 0.83055022279137 0.75000000000000 0.98951704209605 78.960 > 91 97 F 0.21065571209912 0.25000000000000 0.79530133097503 18.998 > 97 98 F 0.71065571209912 0.25000000000000 0.79530133097503 18.998 > 97 99 F 0.21065571209912 0.58333333333333 0.79530133097503 18.998 > 97 100 F 0.71065571209912 0.58333333333333 0.79530133097503 18.998 > 97 101 F 0.21065571209912 0.91666666666667 0.79530133097503 18.998 > 97 102 F 0.71065571209912 0.91666666666667 0.79530133097503 18.998 > 97 103 F 0.28934428790088 0.08333333333333 0.20469866902497 18.998 > 103 104 F 0.78934428790088 0.08333333333333 0.20469866902497 18.998 > 103 105 F 0.28934428790088 0.41666666666667 0.20469866902497 18.998 > 103 106 F 0.78934428790088 0.41666666666667 0.20469866902497 18.998 > 103 107 F 0.28934428790088 0.75000000000000 0.20469866902497 18.998 > 103 108 F 0.78934428790088 0.75000000000000 0.20469866902497 18.998 > 103 109 F 0.47424081906361 0.25000000000000 0.95588550870927 18.998 > 109 110 F 0.97424081906361 0.25000000000000 0.95588550870927 18.998 > 109 111 F 0.47424081906361 0.58333333333333 0.95588550870927 18.998 > 109 112 F 0.97424081906361 0.58333333333333 0.95588550870927 18.998 > 109 113 F 0.47424081906361 0.91666666666667 0.95588550870927 18.998 > 109 114 F 0.97424081906361 0.91666666666667 0.95588550870927 18.998 > 109 115 F 0.02575918093639 0.08333333333333 0.04411449129073 18.998 > 115 116 F 0.52575918093639 0.08333333333333 0.04411449129073 18.998 > 115 117 F 0.02575918093639 0.41666666666667 0.04411449129073 18.998 > 115 118 F 0.52575918093639 0.41666666666667 0.04411449129073 18.998 > 115 119 F 0.02575918093639 0.75000000000000 0.04411449129073 18.998 > 115 120 F 0.52575918093639 0.75000000000000 0.04411449129073 18.998 > 115 121 F 0.29668861610349 0.25000000000000 0.30958914128751 18.998 > 121 122 F 0.79668861610349 0.25000000000000 0.30958914128751 18.998 > 121 123 F 0.29668861610349 0.58333333333333 0.30958914128751 18.998 > 121 124 F 0.79668861610349 0.58333333333333 0.30958914128751 18.998 > 121 125 F 0.29668861610349 0.91666666666667 0.30958914128751 18.998 > 121 126 F 0.79668861610349 0.91666666666667 0.30958914128751 18.998 > 121 127 F 0.20331138389651 0.08333333333333 0.69041085871249 18.998 > 127 128 F 0.70331138389651 0.08333333333333 0.69041085871249 18.998 > 127 129 F 0.20331138389651 0.41666666666667 0.69041085871249 18.998 > 127 130 F 0.70331138389651 0.41666666666667 0.69041085871249 18.998 > 127 131 F 0.20331138389651 0.75000000000000 0.69041085871249 18.998 > 127 132 F 0.70331138389651 0.75000000000000 0.69041085871249 18.998 > 127 133 F 0.23771641438473 0.25000000000000 0.44808679133191 18.998 > 133 134 F 0.73771641438473 0.25000000000000 0.44808679133191 18.998 > 133 135 F 0.23771641438473 0.58333333333333 0.44808679133191 18.998 > 133 136 F 0.73771641438473 0.58333333333333 0.44808679133191 18.998 > 133 137 F 0.23771641438473 0.91666666666667 0.44808679133191 18.998 > 133 138 F 0.73771641438473 0.91666666666667 0.44808679133191 18.998 > 133 139 F 0.26228358561527 0.08333333333333 0.55191320866809 18.998 > 139 140 F 0.76228358561527 0.08333333333333 0.55191320866809 18.998 > 139 141 F 0.26228358561527 0.41666666666667 0.55191320866809 18.998 > 139 142 F 0.76228358561527 0.41666666666667 0.55191320866809 18.998 > 139 143 F 0.26228358561527 0.75000000000000 0.55191320866809 18.998 > 139 144 F 0.76228358561527 0.75000000000000 0.55191320866809 18.998 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.9502268 0.0000000 0.1111786 0.0000000 5.4882744 0.0000000 0.1111811 0.0000000 5.3430520 -------------------------- Born effective charges -------------------------- 1 Y 2.7604095 0.0000000 -0.7922811 0.0000000 4.3356000 0.0000000 -0.6173663 0.0000000 3.6191970 2 Y 2.7604095 0.0000000 -0.7922811 0.0000000 4.3356000 0.0000000 -0.6173663 0.0000000 3.6191970 3 Y 5.3523316 0.0000000 0.7575870 0.0000000 3.6349050 0.0000000 0.5526122 0.0000000 4.1475365 4 Y 5.3523316 0.0000000 0.7575870 0.0000000 3.6349050 0.0000000 0.5526122 0.0000000 4.1475365 5 Y 4.1445120 0.0000000 0.7497036 0.0000000 3.7654780 0.0000000 0.5618500 0.0000000 3.9776184 6 Y 4.1445120 0.0000000 0.7497036 0.0000000 3.7654780 0.0000000 0.5618500 0.0000000 3.9776184 7 Y 3.8853330 0.0000000 -0.6953251 0.0000000 3.8242903 0.0000000 -0.4841048 0.0000000 4.1399125 8 Y 3.8853330 0.0000000 -0.6953251 0.0000000 3.8242903 0.0000000 -0.4841048 0.0000000 4.1399125 9 Se -2.7765388 0.0000000 -0.0778386 0.0000000 -1.8567030 0.0000000 -0.1133152 0.0000000 -1.9661510 10 Se -2.7765388 0.0000000 -0.0778386 0.0000000 -1.8567030 0.0000000 -0.1133152 0.0000000 -1.9661510 11 Se -2.6219314 0.0000000 -0.2191669 0.0000000 -2.4038710 0.0000000 -0.2525024 0.0000000 -2.2649578 12 Se -2.6219314 0.0000000 -0.2191669 0.0000000 -2.4038710 0.0000000 -0.2525024 0.0000000 -2.2649578 13 Se -2.6851459 0.0000000 -0.2749533 0.0000000 -2.4381488 0.0000000 -0.5242085 0.0000000 -2.2814524 14 Se -2.6851459 0.0000000 -0.2749533 0.0000000 -2.4381488 0.0000000 -0.5242085 0.0000000 -2.2814524 15 Se -2.8784594 0.0000000 0.1017318 0.0000000 -1.7963487 0.0000000 0.4334017 0.0000000 -2.1145689 16 Se -2.8784594 0.0000000 0.1017318 0.0000000 -1.7963487 0.0000000 0.4334017 0.0000000 -2.1145689 17 F -1.3006025 0.0000000 0.4036832 0.0000000 -1.9231366 0.0000000 0.4597898 0.0000000 -1.8461968 18 F -1.3006025 0.0000000 0.4036832 0.0000000 -1.9231366 0.0000000 0.4597898 0.0000000 -1.8461968 19 F -1.2063752 0.0000000 -0.4566793 0.0000000 -1.9147425 0.0000000 -0.5448734 0.0000000 -2.0739929 20 F -1.2063752 0.0000000 -0.4566793 0.0000000 -1.9147425 0.0000000 -0.5448734 0.0000000 -2.0739929 21 F -1.3236346 0.0000000 0.2519043 0.0000000 -1.6295877 0.0000000 0.2767672 0.0000000 -1.7729403 22 F -1.3236346 0.0000000 0.2519043 0.0000000 -1.6295877 0.0000000 0.2767672 0.0000000 -1.7729403 23 F -1.3498983 0.0000000 0.2516345 0.0000000 -1.5977350 0.0000000 0.2519496 0.0000000 -1.5640045 24 F -1.3498983 0.0000000 0.2516345 0.0000000 -1.5977350 0.0000000 0.2519496 0.0000000 -1.5640045 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zxz) -0.00000000 (zxz) -0.00000000 (zzx) 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 ... [ 5 12 4 ] 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: 0.52, Number of G-points: 301, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/77) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 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 1.126 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.736 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.784 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.598 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.768 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 5.831 ( 0.000 0.000 0.000) 0.000 5.850 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.520 ( 0.000 0.000 0.000) 0.000 6.766 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.250 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 8.328 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.696 ( 0.000 0.000 0.000) 0.000 10.005 ( 0.000 0.000 0.000) 0.000 10.188 ( 0.000 0.000 0.000) 0.000 10.657 ( 0.000 0.000 0.000) 0.000 10.810 ( 0.000 0.000 0.000) 0.000 12.473 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.380 ( 0.000 0.000 0.000) 0.000 13.576 ( 0.000 0.000 0.000) 0.000 13.758 ( 0.000 0.000 0.000) 0.000 14.098 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/77) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 14.898 0.000 9.094) 17.454 0.449 ( 25.215 0.000 -10.891) 27.466 1.023 ( 43.376 0.000 20.193) 47.846 1.079 ( -4.117 0.000 -2.373) 4.752 1.412 ( -8.787 0.000 -9.431) 12.890 1.582 ( -9.470 0.000 -1.283) 9.557 1.590 ( -0.810 0.000 0.903) 1.213 1.696 ( -0.180 0.000 -1.668) 1.677 1.724 ( -10.815 0.000 -6.004) 12.370 1.875 ( 0.278 0.000 -0.167) 0.324 1.955 ( 6.124 0.000 4.732) 7.740 2.115 ( 3.586 0.000 2.070) 4.140 2.345 ( 0.005 0.000 -0.301) 0.301 2.403 ( 4.253 0.000 -3.311) 5.390 2.536 ( 10.212 0.000 -3.088) 10.669 2.593 ( -0.076 0.000 0.185) 0.200 2.829 ( -1.362 0.000 7.201) 7.328 2.851 ( 3.462 0.000 3.718) 5.080 2.951 ( -0.105 0.000 0.092) 0.139 3.320 ( 14.619 0.000 -4.312) 15.242 3.525 ( 5.376 0.000 -15.770) 16.661 3.554 ( -5.376 0.000 11.237) 12.457 3.604 ( 0.440 0.000 0.321) 0.544 3.628 ( -0.030 0.000 -0.011) 0.032 3.673 ( -8.943 0.000 -9.559) 13.090 3.759 ( 0.416 0.000 0.363) 0.552 3.840 ( -9.777 0.000 1.966) 9.973 3.931 ( 0.044 0.000 0.629) 0.631 3.973 ( -0.243 0.000 -0.702) 0.742 4.110 ( 1.190 0.000 5.619) 5.744 4.407 ( -3.386 0.000 3.426) 4.817 4.438 ( -2.229 0.000 5.186) 5.645 4.545 ( -4.986 0.000 2.338) 5.507 4.562 ( 0.063 0.000 -0.863) 0.866 4.571 ( -0.181 0.000 0.478) 0.511 4.596 ( -0.005 0.000 -0.002) 0.006 4.742 ( 1.870 0.000 -0.150) 1.876 4.900 ( 4.518 0.000 -1.536) 4.772 4.922 ( 0.324 0.000 -6.504) 6.512 5.041 ( 1.040 0.000 0.617) 1.209 5.062 ( -5.385 0.000 4.654) 7.118 5.189 ( -4.083 0.000 -2.733) 4.914 5.354 ( 3.672 0.000 0.764) 3.751 5.495 ( -0.832 0.000 -0.419) 0.932 5.525 ( 0.060 0.000 0.095) 0.112 5.719 ( -0.991 0.000 0.705) 1.216 5.780 ( -5.208 0.000 0.764) 5.263 5.846 ( 1.859 0.000 2.093) 2.799 5.917 ( 4.470 0.000 -4.349) 6.236 6.257 ( 0.398 0.000 -0.292) 0.493 6.383 ( -5.845 0.000 -1.924) 6.154 6.596 ( -5.391 0.000 10.345) 11.665 6.768 ( 0.635 0.000 -6.413) 6.444 7.047 ( -0.325 0.000 -2.174) 2.198 7.232 ( 0.362 0.000 -3.847) 3.864 7.365 ( 13.917 0.000 -14.447) 20.060 7.808 ( -0.020 0.000 0.027) 0.034 7.824 ( -0.037 0.000 -0.027) 0.046 8.260 ( -12.144 0.000 32.427) 34.626 8.802 ( 10.468 0.000 -40.570) 41.899 9.659 ( -0.126 0.000 0.060) 0.140 9.697 ( 0.062 0.000 -0.005) 0.062 10.186 ( -0.299 0.000 8.214) 8.220 10.221 ( 1.357 0.000 9.408) 9.506 10.658 ( -7.191 0.000 9.013) 11.530 10.803 ( -0.442 0.000 -0.388) 0.588 12.473 ( 0.034 0.000 0.004) 0.034 13.354 ( -0.007 0.000 0.008) 0.011 13.380 ( -0.024 0.000 -0.008) 0.026 13.581 ( 0.352 0.000 0.537) 0.642 13.769 ( 0.771 0.000 0.171) 0.790 14.097 ( -0.034 0.000 -0.001) 0.034 ======================= Grid point 2 (3/77) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 11.775 0.000 7.080) 13.739 0.883 ( 21.585 0.000 -7.181) 22.749 0.936 ( -7.925 0.000 -4.652) 9.190 1.200 ( -11.112 0.000 0.362) 11.118 1.392 ( -6.308 0.000 -2.794) 6.899 1.485 ( -6.950 0.000 -2.848) 7.511 1.580 ( -0.481 0.000 0.615) 0.781 1.684 ( -0.129 0.000 -1.105) 1.112 1.840 ( 21.193 0.000 14.637) 25.756 1.880 ( 0.176 0.000 -0.096) 0.200 2.057 ( 0.116 0.000 -5.500) 5.501 2.299 ( 17.565 0.000 11.167) 20.814 2.344 ( 0.006 0.000 -0.159) 0.159 2.490 ( 3.261 0.000 1.040) 3.423 2.592 ( -0.053 0.000 0.092) 0.106 2.672 ( 8.198 0.000 -12.247) 14.738 2.787 ( -5.386 0.000 9.140) 10.609 2.950 ( -0.066 0.000 0.058) 0.088 2.993 ( 5.565 0.000 3.512) 6.580 3.104 ( -26.830 0.000 -18.445) 32.559 3.460 ( -4.477 0.000 0.976) 4.582 3.560 ( 1.584 0.000 -4.894) 5.144 3.613 ( 0.237 0.000 0.140) 0.275 3.628 ( 0.040 0.000 0.069) 0.080 3.644 ( 7.425 0.000 -0.228) 7.428 3.769 ( 0.233 0.000 0.200) 0.307 3.854 ( 7.117 0.000 3.198) 7.803 3.936 ( 0.068 0.000 0.618) 0.622 3.964 ( -0.188 0.000 -0.653) 0.680 4.135 ( -3.569 0.000 7.245) 8.076 4.372 ( 1.318 0.000 0.275) 1.346 4.476 ( 0.303 0.000 1.512) 1.543 4.502 ( -3.558 0.000 5.678) 6.701 4.559 ( 0.049 0.000 -0.526) 0.528 4.569 ( -0.140 0.000 0.271) 0.306 4.597 ( 0.013 0.000 0.011) 0.017 4.706 ( -1.516 0.000 -3.811) 4.101 4.857 ( -4.920 0.000 0.983) 5.017 4.900 ( 0.117 0.000 -2.596) 2.599 4.939 ( -0.465 0.000 4.300) 4.325 5.074 ( -4.231 0.000 -7.824) 8.895 5.178 ( 3.334 0.000 1.989) 3.882 5.440 ( -2.609 0.000 6.192) 6.719 5.451 ( 1.892 0.000 -2.591) 3.208 5.527 ( 0.037 0.000 0.058) 0.069 5.700 ( -0.556 0.000 0.003) 0.556 5.738 ( -0.659 0.000 3.447) 3.510 5.870 ( 0.871 0.000 0.490) 0.999 5.939 ( -0.292 0.000 -2.248) 2.266 6.230 ( -0.717 0.000 -8.683) 8.713 6.365 ( 4.867 0.000 1.939) 5.239 6.493 ( -7.679 0.000 5.070) 9.202 6.777 ( 1.571 0.000 -3.525) 3.859 7.025 ( -0.669 0.000 -0.772) 1.022 7.220 ( 0.007 0.000 -1.349) 1.349 7.555 ( 8.582 0.000 -8.070) 11.780 7.808 ( -0.012 0.000 0.017) 0.021 7.824 ( -0.023 0.000 -0.017) 0.029 8.176 ( -6.754 0.000 12.909) 14.569 8.800 ( 2.684 0.000 -10.676) 11.008 9.657 ( -0.115 0.000 0.035) 0.121 9.698 ( 0.038 0.000 -0.003) 0.038 10.213 ( 0.541 0.000 0.950) 1.094 10.337 ( 5.347 0.000 5.529) 7.691 10.528 ( -7.496 0.000 1.362) 7.619 10.794 ( -0.222 0.000 -0.236) 0.324 12.474 ( 0.021 0.000 0.002) 0.021 13.354 ( -0.004 0.000 0.005) 0.007 13.380 ( -0.015 0.000 -0.005) 0.016 13.592 ( 0.290 0.000 0.344) 0.450 13.783 ( 0.365 0.000 0.011) 0.365 14.097 ( -0.021 0.000 -0.001) 0.021 ======================= Grid point 5 (4/77) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 0.000 17.812 0.000) 17.812 0.572 ( 0.000 27.494 0.000) 27.494 1.000 ( 0.000 43.777 0.000) 43.777 1.436 ( 0.000 22.938 0.000) 22.938 1.617 ( 0.000 5.166 0.000) 5.166 1.688 ( 0.000 4.855 0.000) 4.855 1.767 ( 0.000 0.707 0.000) 0.707 1.867 ( 0.000 14.913 0.000) 14.913 1.876 ( 0.000 12.184 0.000) 12.184 1.975 ( 0.000 13.186 0.000) 13.186 2.011 ( 0.000 8.048 0.000) 8.048 2.222 ( 0.000 3.958 0.000) 3.958 2.319 ( 0.000 7.651 0.000) 7.651 2.396 ( 0.000 -0.165 0.000) 0.165 2.520 ( 0.000 8.749 0.000) 8.749 2.740 ( 0.000 10.344 0.000) 10.344 2.841 ( 0.000 5.848 0.000) 5.848 2.849 ( 0.000 4.272 0.000) 4.272 3.111 ( 0.000 12.890 0.000) 12.890 3.162 ( 0.000 -0.847 0.000) 0.847 3.504 ( 0.000 2.151 0.000) 2.151 3.547 ( 0.000 -1.328 0.000) 1.328 3.660 ( 0.000 2.465 0.000) 2.465 3.690 ( 0.000 5.082 0.000) 5.082 3.748 ( 0.000 2.087 0.000) 2.087 3.882 ( 0.000 -1.316 0.000) 1.316 3.989 ( 0.000 1.745 0.000) 1.745 3.992 ( 0.000 5.174 0.000) 5.174 4.062 ( 0.000 8.956 0.000) 8.956 4.250 ( 0.000 12.193 0.000) 12.193 4.420 ( 0.000 1.073 0.000) 1.073 4.542 ( 0.000 4.115 0.000) 4.115 4.587 ( 0.000 -0.503 0.000) 0.503 4.654 ( 0.000 3.950 0.000) 3.950 4.683 ( 0.000 1.129 0.000) 1.129 4.691 ( 0.000 7.307 0.000) 7.307 4.773 ( 0.000 0.436 0.000) 0.436 4.931 ( 0.000 1.317 0.000) 1.317 4.991 ( 0.000 -0.871 0.000) 0.871 5.097 ( 0.000 -1.565 0.000) 1.565 5.200 ( 0.000 4.397 0.000) 4.397 5.245 ( 0.000 9.817 0.000) 9.817 5.358 ( 0.000 0.797 0.000) 0.797 5.521 ( 0.000 0.554 0.000) 0.554 5.547 ( 0.000 0.884 0.000) 0.884 5.726 ( 0.000 -3.372 0.000) 3.372 5.792 ( 0.000 -3.185 0.000) 3.185 5.838 ( 0.000 -0.446 0.000) 0.446 5.877 ( 0.000 -1.963 0.000) 1.963 6.087 ( 0.000 -6.681 0.000) 6.681 6.231 ( 0.000 -3.474 0.000) 3.474 6.452 ( 0.000 -6.262 0.000) 6.262 6.720 ( 0.000 -4.804 0.000) 4.804 6.766 ( 0.000 -3.530 0.000) 3.530 6.952 ( 0.000 -9.541 0.000) 9.541 7.179 ( 0.000 -6.233 0.000) 6.233 7.187 ( 0.000 -11.700 0.000) 11.700 7.775 ( 0.000 -3.921 0.000) 3.921 8.282 ( 0.000 -5.505 0.000) 5.505 8.562 ( 0.000 -8.613 0.000) 8.613 9.786 ( 0.000 5.599 0.000) 5.599 9.955 ( 0.000 -8.055 0.000) 8.055 10.038 ( 0.000 -10.521 0.000) 10.521 10.497 ( 0.000 -1.114 0.000) 1.114 10.670 ( 0.000 4.294 0.000) 4.294 11.285 ( 0.000 26.252 0.000) 26.252 12.313 ( 0.000 -14.262 0.000) 14.262 13.181 ( 0.000 -13.854 0.000) 13.854 13.254 ( 0.000 -8.793 0.000) 8.793 13.795 ( 0.000 11.365 0.000) 11.365 13.907 ( 0.000 10.041 0.000) 10.041 14.126 ( 0.000 2.406 0.000) 2.406 ======================= Grid point 6 (5/77) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 15.679 20.079 -8.050) 26.717 0.825 ( 16.350 17.978 6.760) 25.223 1.248 ( 25.641 24.958 12.775) 37.994 1.410 ( -2.333 25.373 -1.572) 25.528 1.478 ( -6.132 6.806 -10.017) 13.575 1.597 ( -7.037 2.766 -4.712) 8.909 1.725 ( -3.683 7.126 -8.373) 11.595 1.787 ( -6.922 12.761 4.920) 15.328 1.868 ( -2.922 12.410 2.733) 13.039 1.981 ( -1.205 10.226 2.354) 10.562 2.061 ( 7.498 8.327 4.403) 12.039 2.223 ( 0.499 10.698 -0.279) 10.714 2.370 ( 5.006 1.129 -1.647) 5.390 2.502 ( -0.525 9.646 -0.560) 9.677 2.537 ( 10.692 3.002 -3.822) 11.744 2.731 ( -0.788 8.900 1.121) 9.005 2.857 ( 2.057 2.862 -3.268) 4.807 2.939 ( 2.334 9.904 10.578) 14.678 3.112 ( 0.133 12.724 0.105) 12.725 3.279 ( 11.372 -2.609 -0.927) 11.704 3.480 ( -3.979 -1.058 -0.820) 4.198 3.522 ( 1.023 -0.451 -9.124) 9.192 3.591 ( -8.081 -0.801 1.408) 8.242 3.687 ( 0.534 3.252 -3.857) 5.073 3.700 ( -0.996 4.822 2.280) 5.426 3.863 ( -5.173 2.928 0.338) 5.954 3.915 ( -2.504 6.573 -2.587) 7.495 3.950 ( -2.103 1.167 3.345) 4.120 4.027 ( -2.214 9.122 1.372) 9.486 4.248 ( -0.481 9.973 1.304) 10.069 4.398 ( -1.870 1.277 0.476) 2.314 4.461 ( -1.893 3.719 6.300) 7.557 4.544 ( -2.499 0.913 -0.968) 2.831 4.633 ( -0.428 3.259 -1.063) 3.454 4.678 ( -0.497 7.241 0.994) 7.325 4.753 ( 1.231 3.290 1.289) 3.741 4.812 ( -9.034 12.489 3.010) 15.705 4.897 ( 3.504 0.210 -1.311) 3.747 4.940 ( 0.135 2.159 -7.627) 7.928 5.021 ( 2.361 -1.381 0.741) 2.834 5.082 ( -6.731 2.239 2.959) 7.686 5.187 ( -4.201 0.666 -3.514) 5.518 5.357 ( 2.455 0.410 1.912) 3.139 5.495 ( -1.241 0.982 -1.574) 2.232 5.537 ( 0.784 0.972 -0.755) 1.459 5.706 ( -0.744 -1.415 2.048) 2.598 5.817 ( -2.417 0.387 -0.766) 2.565 5.838 ( 1.569 0.498 1.680) 2.352 5.918 ( 2.980 0.130 -4.846) 5.690 6.189 ( 2.563 -6.259 -0.410) 6.776 6.360 ( -5.358 -2.554 -0.581) 5.964 6.506 ( 0.193 -9.247 8.443) 12.523 6.701 ( 0.865 -6.544 -6.202) 9.057 6.844 ( 4.277 -20.328 4.572) 21.270 6.983 ( 4.663 -14.168 -10.233) 18.088 7.186 ( 0.902 -5.995 -0.954) 6.137 7.516 ( 17.300 -18.561 7.429) 26.439 7.822 ( 6.438 -2.459 1.556) 7.065 8.274 ( -2.606 -4.548 8.559) 10.036 8.564 ( 1.707 -8.947 -10.429) 13.846 9.779 ( -0.995 2.380 0.037) 2.579 9.889 ( -2.936 3.902 -8.667) 9.948 10.073 ( 2.586 -12.112 -1.091) 12.433 10.323 ( -9.191 6.307 8.580) 14.067 10.651 ( -4.141 4.389 3.077) 6.774 11.139 ( -6.055 29.384 -0.394) 30.004 12.314 ( 0.073 -14.228 0.055) 14.228 13.167 ( -0.512 -12.382 -0.187) 12.394 13.253 ( -0.009 -8.871 -0.225) 8.874 13.775 ( -0.857 11.631 0.917) 11.698 13.919 ( 1.033 10.298 -0.258) 10.352 14.127 ( -0.200 2.284 0.329) 2.316 ======================= Grid point 7 (6/77) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 13.738 13.966 -4.862) 20.185 1.038 ( 6.854 20.129 2.012) 21.359 1.303 ( -8.689 10.071 -0.567) 13.314 1.361 ( -0.871 30.505 -2.229) 30.598 1.440 ( -2.504 6.462 -8.700) 11.123 1.522 ( -9.319 6.741 3.476) 12.015 1.768 ( 0.792 14.430 -1.642) 14.544 1.818 ( 1.369 9.721 5.497) 11.251 1.910 ( 15.652 7.268 6.917) 18.592 1.973 ( -0.165 9.599 0.173) 9.602 2.185 ( -2.452 9.759 -1.680) 10.201 2.298 ( 17.127 3.418 7.283) 18.923 2.484 ( 0.892 10.777 -1.914) 10.982 2.518 ( 4.095 4.156 4.447) 7.336 2.653 ( -3.910 5.407 -3.610) 7.587 2.730 ( 5.775 5.986 -4.728) 9.567 2.876 ( -0.572 6.966 0.320) 6.997 3.016 ( 1.566 4.435 3.494) 5.859 3.082 ( -14.011 3.946 -8.483) 16.847 3.149 ( -3.130 11.816 -1.926) 12.374 3.441 ( -5.032 -1.653 2.859) 6.018 3.519 ( 1.076 -0.337 -3.743) 3.909 3.562 ( 4.060 -3.392 0.350) 5.302 3.698 ( 1.281 4.068 -1.062) 4.395 3.739 ( 0.942 6.782 -2.646) 7.341 3.786 ( 4.040 -0.522 0.831) 4.157 3.871 ( -2.668 4.505 2.375) 5.749 3.965 ( -1.381 2.897 1.499) 3.542 4.023 ( 3.379 5.179 1.452) 6.352 4.242 ( -1.691 8.414 3.972) 9.457 4.386 ( -0.015 3.180 -0.519) 3.222 4.463 ( -3.374 -0.255 4.440) 5.582 4.510 ( -1.015 4.722 1.134) 4.961 4.611 ( -0.028 0.898 -2.699) 2.844 4.689 ( 2.160 7.595 -0.310) 7.902 4.715 ( -1.561 10.163 1.404) 10.377 4.751 ( -1.659 3.988 -1.958) 4.742 4.853 ( -4.030 0.444 0.574) 4.094 4.913 ( -0.019 1.352 -1.646) 2.130 4.952 ( -1.567 2.679 4.193) 5.217 5.078 ( -3.981 0.589 -7.463) 8.478 5.153 ( 3.161 -2.237 1.210) 4.057 5.402 ( -3.111 -2.780 3.553) 5.480 5.461 ( 1.986 1.237 -1.128) 2.598 5.556 ( 1.029 1.736 0.787) 2.166 5.726 ( -0.773 -0.262 4.531) 4.603 5.760 ( -0.351 2.998 -1.824) 3.527 5.866 ( 0.815 0.088 0.860) 1.188 5.921 ( -0.785 -1.489 -2.359) 2.898 6.210 ( 0.755 -2.050 -8.370) 8.651 6.332 ( 4.042 -3.025 2.545) 5.654 6.451 ( -6.589 -3.773 5.335) 9.280 6.699 ( 1.193 -7.346 -4.293) 8.591 6.900 ( -0.380 -11.910 4.386) 12.698 7.012 ( 2.633 -24.684 -7.008) 25.795 7.199 ( 0.636 -6.280 -0.630) 6.344 7.674 ( 1.390 -13.298 0.629) 13.385 8.036 ( 9.624 -4.879 -4.728) 11.781 8.280 ( -4.573 9.461 21.661) 24.075 8.502 ( 0.117 -16.111 -15.765) 22.542 9.740 ( -1.415 -3.293 -1.551) 3.906 9.826 ( -0.531 14.661 -1.528) 14.750 10.102 ( 0.843 -11.373 -0.988) 11.447 10.310 ( 1.048 -5.984 6.322) 8.768 10.559 ( -4.300 9.803 0.035) 10.705 11.073 ( -1.295 25.471 -0.006) 25.504 12.316 ( 0.042 -14.182 0.014) 14.182 13.162 ( -0.064 -12.241 -0.048) 12.241 13.252 ( -0.046 -8.944 -0.036) 8.944 13.773 ( -0.055 10.901 0.483) 10.911 13.936 ( 0.572 10.756 -0.084) 10.771 14.123 ( -0.189 1.956 0.045) 1.965 ======================= Grid point 10 (7/77) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 0.000 18.266 0.000) 18.266 1.124 ( 0.000 25.804 0.000) 25.804 1.660 ( 0.000 19.578 0.000) 19.578 1.723 ( 0.000 3.436 0.000) 3.436 1.776 ( 0.000 6.192 0.000) 6.192 1.818 ( 0.000 7.395 0.000) 7.395 2.019 ( 0.000 23.512 0.000) 23.512 2.121 ( 0.000 8.294 0.000) 8.294 2.150 ( 0.000 9.464 0.000) 9.464 2.195 ( 0.000 16.330 0.000) 16.330 2.292 ( 0.000 11.047 0.000) 11.047 2.445 ( 0.000 8.934 0.000) 8.934 2.470 ( 0.000 22.102 0.000) 22.102 2.624 ( 0.000 18.479 0.000) 18.479 2.698 ( 0.000 7.450 0.000) 7.450 2.857 ( 0.000 3.638 0.000) 3.638 3.013 ( 0.000 9.238 0.000) 9.238 3.074 ( 0.000 13.675 0.000) 13.675 3.209 ( 0.000 6.880 0.000) 6.880 3.367 ( 0.000 9.606 0.000) 9.606 3.527 ( 0.000 -0.479 0.000) 0.479 3.588 ( 0.000 5.244 0.000) 5.244 3.686 ( 0.000 1.056 0.000) 1.056 3.801 ( 0.000 2.564 0.000) 2.564 3.851 ( 0.000 9.728 0.000) 9.728 3.931 ( 0.000 5.150 0.000) 5.150 4.048 ( 0.000 6.095 0.000) 6.095 4.149 ( 0.000 9.347 0.000) 9.347 4.285 ( 0.000 7.519 0.000) 7.519 4.507 ( 0.000 7.169 0.000) 7.169 4.515 ( 0.000 11.804 0.000) 11.804 4.573 ( 0.000 1.865 0.000) 1.865 4.663 ( 0.000 6.771 0.000) 6.771 4.718 ( 0.000 2.096 0.000) 2.096 4.743 ( 0.000 5.095 0.000) 5.095 4.801 ( 0.000 3.956 0.000) 3.956 4.845 ( 0.000 6.351 0.000) 6.351 4.956 ( 0.000 -0.207 0.000) 0.207 4.976 ( 0.000 -0.059 0.000) 0.059 5.081 ( 0.000 1.741 0.000) 1.741 5.303 ( 0.000 5.703 0.000) 5.703 5.391 ( 0.000 2.154 0.000) 2.154 5.462 ( 0.000 7.116 0.000) 7.116 5.542 ( 0.000 2.012 0.000) 2.012 5.603 ( 0.000 4.449 0.000) 4.449 5.609 ( 0.000 -6.983 0.000) 6.983 5.749 ( 0.000 -1.135 0.000) 1.135 5.827 ( 0.000 -2.306 0.000) 2.306 5.847 ( 0.000 2.389 0.000) 2.389 5.928 ( 0.000 -6.935 0.000) 6.935 6.118 ( 0.000 -7.096 0.000) 7.096 6.286 ( 0.000 -8.893 0.000) 8.893 6.549 ( 0.000 -11.620 0.000) 11.620 6.645 ( 0.000 -10.912 0.000) 10.912 6.732 ( 0.000 -7.664 0.000) 7.664 6.948 ( 0.000 -9.412 0.000) 9.412 7.034 ( 0.000 -6.389 0.000) 6.389 7.680 ( 0.000 -5.531 0.000) 5.531 8.090 ( 0.000 -12.322 0.000) 12.322 8.301 ( 0.000 -16.598 0.000) 16.598 9.523 ( 0.000 -20.754 0.000) 20.754 9.632 ( 0.000 -21.064 0.000) 21.064 10.120 ( 0.000 8.623 0.000) 8.623 10.675 ( 0.000 16.194 0.000) 16.194 10.850 ( 0.000 9.530 0.000) 9.530 11.819 ( 0.000 24.975 0.000) 24.975 11.977 ( 0.000 -15.317 0.000) 15.317 12.939 ( 0.000 -8.784 0.000) 8.784 13.068 ( 0.000 -9.135 0.000) 9.135 13.973 ( 0.000 5.658 0.000) 5.658 14.061 ( 0.000 3.402 0.000) 3.402 14.187 ( 0.000 3.569 0.000) 3.569 ======================= Grid point 11 (8/77) ======================= q-point: ( 0.20 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 22.597 12.921 1.217) 26.059 1.204 ( 7.586 22.643 2.412) 24.001 1.558 ( -3.422 4.320 -13.201) 14.305 1.718 ( 3.530 15.358 1.182) 15.803 1.738 ( -2.577 12.391 -0.381) 12.662 1.886 ( -9.081 8.486 -6.257) 13.915 1.968 ( 4.438 15.300 6.872) 17.350 2.075 ( -0.281 11.840 1.052) 11.890 2.152 ( 1.332 16.808 2.701) 17.076 2.270 ( -1.288 15.375 -0.763) 15.448 2.320 ( 3.364 16.220 1.160) 16.606 2.432 ( -0.987 10.691 -0.030) 10.736 2.528 ( 6.483 16.338 4.701) 18.195 2.718 ( 1.761 10.496 0.259) 10.645 2.725 ( 8.564 14.448 -5.359) 17.629 2.865 ( 0.509 4.664 6.174) 7.755 2.998 ( 0.038 9.099 -3.310) 9.682 3.180 ( 0.699 10.911 1.535) 11.041 3.245 ( 8.139 1.742 0.081) 8.323 3.373 ( 1.001 9.202 1.700) 9.412 3.527 ( -0.770 0.862 -0.803) 1.407 3.536 ( -5.430 6.947 0.622) 8.839 3.614 ( -6.575 2.652 0.370) 7.099 3.768 ( -0.176 3.339 -3.201) 4.629 3.798 ( -1.425 6.708 -5.338) 8.690 3.986 ( -1.360 8.168 0.782) 8.317 3.992 ( -0.865 4.199 -1.101) 4.427 4.074 ( -6.081 7.999 4.064) 10.839 4.255 ( -4.356 10.344 3.400) 11.727 4.398 ( -3.703 4.622 -1.301) 6.063 4.531 ( -1.514 7.643 -0.310) 7.798 4.584 ( 2.619 5.559 -0.568) 6.171 4.619 ( -0.844 10.739 0.838) 10.804 4.682 ( -2.366 2.986 -0.627) 3.861 4.778 ( 0.036 1.879 1.296) 2.283 4.856 ( 1.796 5.243 1.219) 5.675 4.884 ( -0.252 1.392 -1.314) 1.930 4.961 ( 2.984 0.274 0.446) 3.030 4.988 ( 0.638 3.972 1.059) 4.160 5.062 ( -3.209 3.729 2.751) 5.637 5.167 ( -9.381 5.898 -6.765) 12.983 5.258 ( -5.174 6.441 -1.123) 8.337 5.379 ( -1.837 1.759 3.170) 4.064 5.542 ( -0.798 1.372 1.883) 2.462 5.570 ( -1.477 3.069 -5.194) 6.211 5.668 ( 1.275 -1.508 4.105) 4.555 5.782 ( 1.437 -2.200 -3.050) 4.026 5.850 ( 2.143 -0.433 -2.458) 3.290 5.907 ( 0.091 -2.880 -0.424) 2.913 6.055 ( 7.859 -3.771 -1.371) 8.824 6.232 ( 1.700 -10.080 5.337) 11.532 6.286 ( 7.337 -8.274 -3.325) 11.547 6.494 ( -4.091 -11.802 2.462) 12.731 6.592 ( -4.972 -5.859 3.017) 8.256 6.688 ( 0.413 -14.914 -3.827) 15.403 7.048 ( 2.316 -6.323 -0.334) 6.742 7.176 ( 12.429 -13.685 1.652) 18.560 7.725 ( 4.252 -6.584 2.635) 8.268 8.075 ( -0.562 -12.644 -0.966) 12.694 8.340 ( 2.836 -15.414 -0.247) 15.674 9.515 ( -0.860 -19.287 1.197) 19.343 9.656 ( 2.469 -22.350 -2.473) 22.621 10.117 ( -0.359 8.202 0.524) 8.227 10.583 ( -7.149 19.602 0.011) 20.865 10.848 ( -0.740 10.353 0.426) 10.388 11.747 ( -4.952 27.652 -1.134) 28.114 11.978 ( 0.025 -15.298 0.153) 15.298 12.938 ( -0.090 -8.710 0.005) 8.711 13.067 ( -0.131 -9.158 -0.025) 9.159 13.961 ( -1.064 5.874 1.124) 6.075 14.082 ( 1.745 3.575 -0.206) 3.984 14.181 ( -0.604 3.432 -0.252) 3.493 ======================= Grid point 12 (9/77) ======================= q-point: ( 0.40 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 8.426 17.597 -3.471) 19.817 1.411 ( 3.416 15.198 -0.610) 15.589 1.542 ( 5.307 9.506 -2.999) 11.293 1.622 ( -3.520 14.531 -1.631) 15.040 1.685 ( -8.046 11.606 2.725) 14.382 1.900 ( 8.478 11.513 1.619) 14.390 2.036 ( 0.291 12.052 -2.122) 12.240 2.077 ( -0.963 11.314 7.061) 13.372 2.166 ( -0.491 17.744 -4.312) 18.267 2.212 ( -2.079 10.894 1.050) 11.140 2.421 ( 0.046 13.595 0.084) 13.595 2.489 ( 12.927 16.609 3.944) 21.413 2.675 ( 3.070 9.327 -0.525) 9.833 2.735 ( 0.177 12.534 1.041) 12.578 2.839 ( -4.665 12.869 -2.375) 13.893 2.896 ( 3.439 10.163 3.595) 11.315 3.065 ( 10.769 4.814 -3.518) 12.310 3.078 ( -7.032 10.113 -6.374) 13.869 3.275 ( -6.348 9.241 3.980) 11.897 3.389 ( -3.035 5.188 0.274) 6.017 3.446 ( -6.172 6.266 0.182) 8.797 3.509 ( 5.612 0.796 2.627) 6.247 3.576 ( 0.308 5.158 -0.662) 5.210 3.767 ( 1.265 2.500 -3.975) 4.864 3.806 ( 2.367 3.415 -0.086) 4.156 3.885 ( -0.747 7.161 -3.042) 7.816 3.986 ( -1.828 6.051 2.273) 6.717 4.070 ( 2.202 6.499 1.368) 6.997 4.167 ( -6.003 8.658 4.508) 11.460 4.384 ( 1.430 4.926 2.878) 5.882 4.480 ( -4.507 3.801 -2.591) 6.440 4.596 ( -0.382 12.429 -2.187) 12.626 4.610 ( 0.785 0.140 -2.190) 2.331 4.666 ( 0.459 7.662 4.627) 8.963 4.762 ( -0.457 1.785 -0.615) 1.943 4.811 ( -3.862 2.548 -0.885) 4.710 4.899 ( 0.868 7.725 0.242) 7.778 4.971 ( 0.018 6.189 -1.219) 6.308 4.987 ( -1.047 9.675 0.630) 9.752 5.033 ( -1.418 1.245 2.922) 3.478 5.087 ( 2.440 -2.071 -0.053) 3.201 5.156 ( -4.752 8.121 -4.958) 10.635 5.344 ( -3.538 -2.494 2.449) 4.973 5.509 ( 0.586 3.207 0.115) 3.263 5.577 ( 1.440 -0.399 0.774) 1.682 5.722 ( 0.995 0.551 2.174) 2.454 5.765 ( -0.421 -1.822 -2.072) 2.791 5.866 ( 0.355 -1.595 -1.830) 2.453 5.894 ( -1.035 -1.916 0.773) 2.311 6.140 ( 3.622 -4.535 -5.548) 8.029 6.254 ( 0.421 -4.697 2.344) 5.267 6.385 ( -0.115 -0.559 4.452) 4.489 6.486 ( 2.081 -13.225 -1.893) 13.521 6.544 ( -1.113 -13.396 0.241) 13.445 6.659 ( -0.961 -13.605 -2.216) 13.818 7.088 ( 1.381 -4.505 -0.488) 4.738 7.338 ( 3.057 -17.697 0.719) 17.973 7.848 ( 4.222 -11.011 1.509) 11.888 8.075 ( 0.408 -15.099 1.237) 15.155 8.377 ( 1.004 -11.378 -1.229) 11.488 9.507 ( -0.378 -16.903 0.459) 16.913 9.686 ( 1.237 -23.713 -1.441) 23.789 10.114 ( -0.163 7.126 0.435) 7.141 10.463 ( -3.554 22.568 0.287) 22.848 10.829 ( -0.847 12.171 0.161) 12.201 11.667 ( -2.029 29.007 -0.361) 29.080 11.979 ( 0.016 -15.369 0.050) 15.369 12.937 ( -0.046 -8.692 0.005) 8.692 13.064 ( -0.099 -9.182 0.022) 9.183 13.951 ( -0.330 5.824 0.551) 5.860 14.121 ( 1.898 3.893 0.462) 4.356 14.158 ( -1.382 3.220 -0.664) 3.567 ======================= Grid point 15 (10/77) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 0.000 17.216 0.000) 17.216 1.611 ( 0.000 20.059 0.000) 20.059 1.717 ( 0.000 -0.731 0.000) 0.731 1.823 ( 0.000 1.833 0.000) 1.833 2.004 ( 0.000 10.190 0.000) 10.190 2.095 ( 0.000 16.254 0.000) 16.254 2.210 ( 0.000 4.063 0.000) 4.063 2.264 ( 0.000 7.957 0.000) 7.957 2.393 ( 0.000 12.033 0.000) 12.033 2.415 ( 0.000 8.943 0.000) 8.943 2.660 ( 0.000 14.497 0.000) 14.497 2.750 ( 0.000 8.501 0.000) 8.501 2.886 ( 0.000 24.555 0.000) 24.555 2.898 ( 0.000 14.349 0.000) 14.349 2.936 ( 0.000 8.642 0.000) 8.642 2.954 ( 0.000 7.075 0.000) 7.075 3.194 ( 0.000 7.995 0.000) 7.995 3.344 ( 0.000 12.354 0.000) 12.354 3.358 ( 0.000 3.602 0.000) 3.602 3.486 ( 0.000 3.446 0.000) 3.446 3.601 ( 0.000 9.270 0.000) 9.270 3.713 ( 0.000 6.330 0.000) 6.330 3.728 ( 0.000 3.365 0.000) 3.365 3.852 ( 0.000 2.137 0.000) 2.137 4.015 ( 0.000 6.268 0.000) 6.268 4.028 ( 0.000 3.586 0.000) 3.586 4.238 ( 0.000 9.668 0.000) 9.668 4.350 ( 0.000 0.554 0.000) 0.554 4.356 ( 0.000 10.221 0.000) 10.221 4.536 ( 0.000 0.102 0.000) 0.102 4.626 ( 0.000 0.118 0.000) 0.118 4.692 ( 0.000 -3.671 0.000) 3.671 4.720 ( 0.000 6.086 0.000) 6.086 4.773 ( 0.000 3.749 0.000) 3.749 4.822 ( 0.000 -1.733 0.000) 1.733 4.876 ( 0.000 -0.811 0.000) 0.811 4.920 ( 0.000 1.165 0.000) 1.165 5.137 ( 0.000 6.822 0.000) 6.822 5.164 ( 0.000 19.345 0.000) 19.345 5.168 ( 0.000 17.668 0.000) 17.668 5.366 ( 0.000 -0.647 0.000) 0.647 5.402 ( 0.000 -1.789 0.000) 1.789 5.431 ( 0.000 -7.907 0.000) 7.907 5.480 ( 0.000 -6.226 0.000) 6.226 5.586 ( 0.000 1.043 0.000) 1.043 5.702 ( 0.000 3.445 0.000) 3.445 5.704 ( 0.000 -3.759 0.000) 3.759 5.842 ( 0.000 4.637 0.000) 4.637 5.846 ( 0.000 -0.777 0.000) 0.777 5.964 ( 0.000 -0.455 0.000) 0.455 5.989 ( 0.000 1.465 0.000) 1.465 6.147 ( 0.000 -2.697 0.000) 2.697 6.330 ( 0.000 -5.668 0.000) 5.668 6.420 ( 0.000 -5.017 0.000) 5.017 6.619 ( 0.000 -4.544 0.000) 4.544 6.813 ( 0.000 -4.178 0.000) 4.178 6.966 ( 0.000 -0.695 0.000) 0.695 7.516 ( 0.000 -11.153 0.000) 11.153 7.836 ( 0.000 -10.814 0.000) 10.814 7.927 ( 0.000 -17.484 0.000) 17.484 9.099 ( 0.000 -19.828 0.000) 19.828 9.186 ( 0.000 -20.480 0.000) 20.480 10.258 ( 0.000 4.620 0.000) 4.620 10.883 ( 0.000 -8.163 0.000) 8.163 11.043 ( 0.000 17.075 0.000) 17.075 11.820 ( 0.000 1.271 0.000) 1.271 12.297 ( 0.000 21.199 0.000) 21.199 12.850 ( 0.000 0.564 0.000) 0.564 12.886 ( 0.000 -7.997 0.000) 7.997 14.027 ( 0.000 -0.191 0.000) 0.191 14.043 ( 0.000 -4.452 0.000) 4.452 14.247 ( 0.000 1.248 0.000) 1.248 ======================= Grid point 16 (11/77) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 18.714 13.127 2.324) 22.977 1.599 ( 0.705 6.701 -4.909) 8.337 1.680 ( 1.526 15.586 -3.637) 16.078 1.940 ( 4.758 6.101 3.821) 8.630 2.026 ( -0.261 9.731 -3.050) 10.201 2.067 ( -2.364 12.297 -4.991) 13.480 2.182 ( 2.485 11.554 3.158) 12.232 2.284 ( 0.403 6.318 0.249) 6.336 2.387 ( -0.769 11.625 4.788) 12.596 2.460 ( 3.461 9.339 -3.171) 10.452 2.690 ( 1.113 12.214 4.043) 12.913 2.807 ( -1.030 8.716 -3.373) 9.402 2.837 ( 2.672 15.335 1.674) 15.656 2.926 ( 3.974 13.665 -1.912) 14.359 2.955 ( 0.083 6.247 5.582) 8.378 3.054 ( 6.822 15.369 2.143) 16.951 3.181 ( -2.646 9.769 1.199) 10.192 3.338 ( 2.519 5.654 -2.609) 6.717 3.341 ( -0.663 5.238 -1.599) 5.517 3.487 ( -0.547 2.892 1.744) 3.421 3.604 ( -3.565 6.894 5.093) 9.283 3.687 ( -3.344 6.059 -0.338) 6.929 3.743 ( 3.973 9.726 -2.746) 10.859 3.825 ( -1.549 2.344 -2.116) 3.517 3.949 ( -2.224 6.732 -3.741) 8.016 4.082 ( 2.700 4.313 0.962) 5.178 4.171 ( -6.123 8.609 -1.900) 10.734 4.251 ( -7.787 9.102 1.975) 12.140 4.371 ( 0.900 1.834 1.022) 2.285 4.511 ( -3.326 4.163 -2.229) 5.776 4.598 ( 0.782 1.970 0.526) 2.184 4.628 ( -4.469 -1.886 -2.472) 5.444 4.703 ( -0.471 -0.537 0.957) 1.194 4.762 ( -4.743 -0.867 4.304) 6.463 4.858 ( 1.987 3.617 2.088) 4.625 4.883 ( 1.210 -0.256 -1.575) 2.003 4.947 ( 1.840 -0.800 0.086) 2.008 5.069 ( -2.407 2.476 -3.326) 4.795 5.154 ( -1.127 19.576 2.750) 19.800 5.238 ( -0.635 11.682 -3.029) 12.085 5.278 ( -1.894 8.329 -1.989) 8.770 5.359 ( -0.873 -0.502 -0.676) 1.213 5.417 ( -3.520 1.852 2.271) 4.580 5.473 ( 0.465 -5.736 0.859) 5.818 5.605 ( -4.076 0.043 3.664) 5.481 5.691 ( 1.817 2.203 -2.971) 4.121 5.736 ( 3.823 -4.949 -2.170) 6.619 5.819 ( 0.377 -0.998 0.446) 1.157 5.879 ( -2.704 3.295 -3.478) 5.501 5.988 ( 3.967 -3.591 -1.000) 5.444 6.131 ( 2.402 -1.959 4.996) 5.880 6.149 ( 8.374 -5.185 1.706) 9.996 6.290 ( -1.735 -2.710 1.607) 3.597 6.443 ( 0.582 -5.553 -2.288) 6.033 6.541 ( -3.667 1.138 1.120) 4.000 6.917 ( 6.191 -8.170 -2.786) 10.623 7.009 ( 3.640 -1.305 -0.263) 3.875 7.536 ( 1.108 -12.196 3.568) 12.756 7.827 ( -0.183 -10.145 -1.398) 10.242 7.960 ( 2.623 -18.851 0.022) 19.033 9.105 ( 0.344 -19.699 0.997) 19.728 9.193 ( 0.761 -20.955 -0.785) 20.983 10.252 ( -0.565 4.767 0.022) 4.800 10.883 ( -0.055 -7.399 0.407) 7.410 11.013 ( -2.457 18.172 -0.660) 18.349 11.820 ( 0.034 1.384 -0.156) 1.394 12.267 ( -2.358 22.593 -0.426) 22.720 12.845 ( -0.259 0.159 -0.396) 0.500 12.885 ( -0.232 -7.814 0.542) 7.837 14.013 ( -1.104 -0.927 1.419) 2.023 14.063 ( 1.411 -3.954 -0.616) 4.244 14.245 ( -0.033 1.471 -0.478) 1.547 ======================= Grid point 17 (12/77) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 3.661 6.698 -4.098) 8.664 1.688 ( 4.306 14.676 -2.174) 15.448 1.735 ( 10.033 9.578 6.374) 15.265 1.903 ( -4.305 12.586 -4.474) 14.034 2.020 ( 0.101 18.430 3.570) 18.773 2.095 ( 3.677 9.777 0.470) 10.456 2.207 ( 0.094 7.007 -2.553) 7.458 2.295 ( -0.897 9.169 0.904) 9.257 2.420 ( 1.164 10.823 1.715) 11.019 2.453 ( -2.496 11.121 -3.256) 11.853 2.666 ( -2.115 10.160 0.215) 10.380 2.838 ( 5.103 5.758 -1.941) 7.935 2.896 ( -0.637 14.599 1.836) 14.727 2.960 ( 1.561 9.788 0.699) 9.937 3.071 ( 3.727 4.669 3.653) 7.003 3.121 ( 0.357 10.570 -0.735) 10.601 3.198 ( 4.386 12.859 3.496) 14.029 3.330 ( 0.350 11.267 -4.246) 12.045 3.380 ( 0.465 4.528 -0.543) 4.585 3.468 ( -4.067 3.314 3.452) 6.280 3.524 ( -3.099 5.934 2.507) 7.148 3.637 ( 0.332 6.086 0.487) 6.115 3.728 ( -4.719 4.508 -2.916) 7.148 3.832 ( 3.927 7.278 -4.176) 9.265 3.948 ( 1.639 8.910 -0.650) 9.083 4.031 ( -2.882 7.036 -2.214) 7.919 4.121 ( -0.232 7.400 2.329) 7.761 4.194 ( 1.434 5.315 0.984) 5.592 4.329 ( -7.515 6.006 4.549) 10.641 4.460 ( 0.865 1.252 -3.701) 4.002 4.557 ( -0.172 0.267 -0.925) 0.978 4.600 ( -0.979 2.182 -0.526) 2.449 4.655 ( -3.727 -2.895 2.125) 5.176 4.725 ( -0.518 0.521 0.279) 0.786 4.859 ( 0.051 2.817 -0.166) 2.823 4.937 ( 0.239 -2.207 0.390) 2.254 4.960 ( 0.634 -0.695 1.778) 2.012 5.014 ( -1.148 -1.192 -2.298) 2.832 5.151 ( 0.380 11.973 1.289) 12.048 5.190 ( 0.275 13.972 -3.476) 14.401 5.239 ( -4.730 4.854 -0.715) 6.815 5.311 ( -1.299 9.465 2.485) 9.872 5.383 ( -0.676 7.844 -0.455) 7.886 5.507 ( 2.802 -3.837 -2.153) 5.216 5.578 ( -0.918 4.044 4.487) 6.109 5.702 ( 0.359 -3.061 -4.198) 5.208 5.783 ( -0.470 2.011 -0.958) 2.277 5.789 ( -0.057 -5.661 2.567) 6.216 5.831 ( -1.026 -1.573 -0.774) 2.031 6.054 ( 2.001 -1.576 -0.309) 2.566 6.133 ( 0.608 -6.136 -1.314) 6.305 6.293 ( 1.853 -5.213 5.018) 7.469 6.376 ( 2.485 -5.618 -0.855) 6.202 6.405 ( 0.719 0.969 -0.221) 1.227 6.513 ( -0.198 5.206 -0.886) 5.284 6.993 ( 2.699 -12.638 -2.171) 13.104 7.057 ( 0.601 -0.821 0.517) 1.142 7.582 ( 1.119 -15.018 2.123) 15.208 7.820 ( -0.026 -9.467 -0.629) 9.488 8.007 ( 1.513 -20.517 -0.137) 20.573 9.119 ( 0.365 -19.577 0.693) 19.593 9.202 ( 0.408 -21.610 -0.516) 21.620 10.241 ( -0.364 5.064 0.005) 5.077 10.887 ( 0.177 -7.253 0.394) 7.266 10.961 ( -1.721 20.971 -0.559) 21.049 11.820 ( 0.008 1.582 -0.110) 1.586 12.223 ( -1.291 24.270 -0.202) 24.305 12.839 ( -0.109 -0.163 -0.236) 0.307 12.883 ( -0.186 -7.805 0.349) 7.815 14.003 ( -0.378 -0.858 0.590) 1.108 14.084 ( 0.635 -4.593 -0.062) 4.637 14.241 ( -0.052 1.962 -0.344) 1.993 ======================= Grid point 20 (13/77) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 0.000 14.204 0.000) 14.204 1.691 ( 0.000 -1.621 0.000) 1.621 1.780 ( 0.000 0.108 0.000) 0.108 2.003 ( 0.000 11.394 0.000) 11.394 2.076 ( 0.000 -0.778 0.000) 0.778 2.299 ( 0.000 3.048 0.000) 3.048 2.411 ( 0.000 12.242 0.000) 12.242 2.509 ( 0.000 16.567 0.000) 16.567 2.617 ( 0.000 8.429 0.000) 8.429 2.639 ( 0.000 12.907 0.000) 12.907 2.772 ( 0.000 2.401 0.000) 2.401 3.000 ( 0.000 13.126 0.000) 13.126 3.030 ( 0.000 2.140 0.000) 2.140 3.099 ( 0.000 6.223 0.000) 6.223 3.140 ( 0.000 11.220 0.000) 11.220 3.331 ( 0.000 6.676 0.000) 6.676 3.352 ( 0.000 3.705 0.000) 3.705 3.442 ( 0.000 18.041 0.000) 18.041 3.497 ( 0.000 3.396 0.000) 3.396 3.619 ( 0.000 8.421 0.000) 8.421 3.756 ( 0.000 3.019 0.000) 3.019 3.831 ( 0.000 5.162 0.000) 5.162 3.857 ( 0.000 8.462 0.000) 8.462 3.876 ( 0.000 0.160 0.000) 0.160 4.082 ( 0.000 2.445 0.000) 2.445 4.112 ( 0.000 2.914 0.000) 2.914 4.319 ( 0.000 -3.126 0.000) 3.126 4.411 ( 0.000 6.962 0.000) 6.962 4.462 ( 0.000 -9.453 0.000) 9.453 4.527 ( 0.000 4.359 0.000) 4.359 4.588 ( 0.000 -4.063 0.000) 4.063 4.604 ( 0.000 -1.677 0.000) 1.677 4.773 ( 0.000 -0.798 0.000) 0.798 4.802 ( 0.000 -2.625 0.000) 2.625 4.834 ( 0.000 2.716 0.000) 2.716 4.872 ( 0.000 1.636 0.000) 1.636 4.931 ( 0.000 0.434 0.000) 0.434 5.176 ( 0.000 -0.053 0.000) 0.053 5.198 ( 0.000 -13.551 0.000) 13.551 5.243 ( 0.000 -6.110 0.000) 6.110 5.270 ( 0.000 -6.501 0.000) 6.501 5.388 ( 0.000 0.372 0.000) 0.372 5.511 ( 0.000 1.179 0.000) 1.179 5.514 ( 0.000 5.489 0.000) 5.489 5.606 ( 0.000 -0.453 0.000) 0.453 5.622 ( 0.000 -2.418 0.000) 2.418 5.781 ( 0.000 -6.104 0.000) 6.104 5.791 ( 0.000 6.582 0.000) 6.582 5.935 ( 0.000 8.772 0.000) 8.772 5.960 ( 0.000 5.903 0.000) 5.903 6.096 ( 0.000 9.215 0.000) 9.215 6.197 ( 0.000 5.270 0.000) 5.270 6.433 ( 0.000 12.684 0.000) 12.684 6.529 ( 0.000 6.503 0.000) 6.503 6.592 ( 0.000 6.956 0.000) 6.956 6.776 ( 0.000 1.255 0.000) 1.255 6.913 ( 0.000 -6.001 0.000) 6.001 7.253 ( 0.000 -12.449 0.000) 12.449 7.649 ( 0.000 -8.033 0.000) 8.033 7.684 ( 0.000 -4.871 0.000) 4.871 8.725 ( 0.000 -15.832 0.000) 15.832 8.828 ( 0.000 -14.062 0.000) 14.062 10.301 ( 0.000 -0.350 0.000) 0.350 10.616 ( 0.000 -14.423 0.000) 14.423 11.333 ( 0.000 11.106 0.000) 11.106 11.896 ( 0.000 2.100 0.000) 2.100 12.696 ( 0.000 17.879 0.000) 17.879 12.783 ( 0.000 -0.722 0.000) 0.722 12.945 ( 0.000 7.159 0.000) 7.159 13.896 ( 0.000 -9.566 0.000) 9.566 13.985 ( 0.000 -3.204 0.000) 3.204 14.225 ( 0.000 -3.257 0.000) 3.257 ======================= Grid point 21 (14/77) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 11.450 8.806 0.686) 14.460 1.681 ( 4.931 5.154 -3.650) 8.013 1.943 ( 3.894 3.637 -1.684) 5.589 2.007 ( 4.776 4.959 6.080) 9.186 2.150 ( 7.190 3.656 -5.486) 9.755 2.316 ( 2.552 7.268 -2.728) 8.172 2.400 ( -0.478 8.363 0.892) 8.424 2.502 ( -0.505 16.867 2.349) 17.037 2.624 ( -1.540 12.484 1.900) 12.721 2.674 ( 2.622 8.614 3.704) 9.736 2.817 ( 2.770 2.170 -3.062) 4.664 2.928 ( -6.052 4.843 -0.432) 7.763 3.001 ( 0.896 5.855 0.976) 6.004 3.135 ( 1.630 9.189 -0.706) 9.360 3.161 ( 1.854 11.340 3.560) 12.029 3.302 ( -4.389 1.136 0.642) 4.579 3.381 ( 1.988 4.650 -0.334) 5.068 3.444 ( 0.172 9.400 -2.959) 9.856 3.527 ( 3.602 13.215 4.172) 14.318 3.579 ( -1.604 7.763 -2.815) 8.412 3.735 ( -2.493 4.669 3.353) 6.266 3.809 ( -2.548 5.093 2.548) 6.239 3.863 ( -1.148 3.231 -1.111) 3.604 3.928 ( 5.898 6.563 -5.602) 10.452 4.048 ( -0.797 3.008 -1.208) 3.338 4.158 ( 3.419 2.755 0.799) 4.463 4.327 ( -7.348 6.580 1.025) 9.917 4.351 ( 2.883 -3.352 -2.406) 5.034 4.439 ( -3.258 1.644 -3.163) 4.829 4.455 ( -5.123 -2.379 -0.443) 5.666 4.583 ( 1.094 -3.337 2.864) 4.532 4.621 ( 1.578 -0.283 -3.218) 3.596 4.662 ( -9.364 -3.530 7.008) 12.218 4.746 ( -4.194 0.949 0.372) 4.316 4.865 ( 2.372 -2.324 0.635) 3.381 4.892 ( 0.036 -0.154 -0.680) 0.698 4.935 ( -0.402 0.150 -0.749) 0.863 5.077 ( -5.253 -2.190 -3.517) 6.690 5.189 ( -0.265 -10.217 3.375) 10.763 5.245 ( -0.956 -4.406 -7.175) 8.474 5.321 ( 0.810 -3.742 0.114) 3.830 5.405 ( 1.454 0.320 0.897) 1.738 5.424 ( -5.217 0.275 4.097) 6.639 5.575 ( 1.194 -1.341 -1.712) 2.480 5.587 ( 2.508 -0.946 1.744) 3.198 5.722 ( 5.240 1.367 0.883) 5.487 5.770 ( -1.410 -2.919 4.297) 5.383 5.820 ( 1.893 0.913 1.102) 2.373 5.879 ( -0.881 12.812 -3.725) 13.372 5.996 ( -1.163 4.872 -3.507) 6.114 6.128 ( 7.036 8.689 -0.533) 11.193 6.178 ( -1.993 6.980 2.789) 7.776 6.447 ( 1.113 12.337 -0.477) 12.396 6.534 ( 0.130 9.476 1.219) 9.555 6.628 ( 2.497 7.402 -0.888) 7.862 6.792 ( 1.661 -2.364 -1.395) 3.208 6.955 ( 3.839 -6.375 -2.007) 7.707 7.261 ( -0.218 -12.876 3.422) 13.325 7.649 ( 0.048 -7.897 -0.162) 7.899 7.688 ( 0.479 -5.678 -0.442) 5.715 8.729 ( 0.279 -16.059 0.390) 16.066 8.828 ( 0.060 -14.264 -0.153) 14.265 10.299 ( -0.158 -0.159 -0.059) 0.232 10.617 ( 0.070 -14.517 0.001) 14.517 11.324 ( -0.724 11.701 -0.146) 11.724 11.897 ( 0.114 2.066 -0.050) 2.069 12.687 ( -0.669 18.457 -0.433) 18.474 12.784 ( -0.090 -0.478 0.722) 0.870 12.937 ( -0.564 7.183 -0.355) 7.214 13.897 ( -0.013 -9.465 0.319) 9.470 13.984 ( -0.039 -3.582 0.039) 3.582 14.226 ( 0.123 -3.239 -0.230) 3.249 ======================= Grid point 22 (15/77) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 3.734 3.282 -0.766) 5.029 1.885 ( 4.902 4.490 3.254) 7.401 1.948 ( 6.443 10.334 -2.990) 12.540 2.106 ( -0.944 6.369 1.137) 6.538 2.279 ( 7.119 9.076 -1.799) 11.675 2.360 ( 2.061 11.525 -2.263) 11.924 2.402 ( -0.770 10.363 -1.688) 10.528 2.525 ( 0.471 13.743 2.449) 13.968 2.587 ( -3.591 7.279 -0.212) 8.120 2.666 ( -3.545 7.612 -0.732) 8.429 2.816 ( 4.844 -0.679 2.017) 5.290 2.907 ( -0.796 12.563 1.720) 12.706 3.103 ( 4.675 -0.687 2.042) 5.147 3.136 ( 0.302 7.759 -0.122) 7.766 3.188 ( -3.720 0.675 0.569) 3.824 3.221 ( 1.202 10.787 -0.523) 10.866 3.361 ( -4.141 5.814 1.291) 7.254 3.473 ( 3.180 2.844 0.057) 4.267 3.541 ( -1.061 0.367 -1.222) 1.659 3.639 ( 4.544 14.349 -2.100) 15.197 3.695 ( -3.457 9.341 3.728) 10.635 3.763 ( -1.375 7.156 -0.017) 7.287 3.803 ( -2.646 9.041 -2.072) 9.645 4.012 ( 5.922 6.676 -5.533) 10.500 4.083 ( 1.000 4.002 1.413) 4.360 4.171 ( -2.944 5.629 -0.360) 6.362 4.261 ( 2.466 4.423 1.225) 5.210 4.312 ( -4.683 5.557 2.018) 7.542 4.396 ( 3.691 -5.436 -6.027) 8.916 4.406 ( -2.080 0.679 0.417) 2.227 4.487 ( -8.435 -5.385 6.635) 12.008 4.600 ( -1.479 0.658 -0.053) 1.619 4.667 ( 2.258 -0.461 1.104) 2.556 4.703 ( -0.140 -2.113 0.472) 2.170 4.855 ( -2.764 -3.151 -2.752) 5.014 4.902 ( 0.047 -1.109 1.299) 1.708 4.908 ( 0.910 -2.480 -0.352) 2.665 4.973 ( -3.968 -4.439 -0.888) 6.020 5.165 ( -2.255 -6.727 -3.100) 7.743 5.216 ( -0.985 -1.639 1.752) 2.594 5.268 ( 0.265 -6.245 -0.720) 6.292 5.415 ( 0.424 2.252 -1.073) 2.530 5.442 ( 0.948 0.394 0.063) 1.029 5.575 ( -0.066 -3.974 0.071) 3.976 5.606 ( -1.815 -10.933 1.553) 11.191 5.740 ( 0.239 4.112 2.640) 4.893 5.849 ( 0.572 1.673 0.226) 1.783 5.854 ( 2.610 11.028 4.108) 12.054 5.886 ( 1.789 20.340 -3.209) 20.670 5.959 ( 0.123 -5.131 -4.809) 7.033 6.143 ( -1.588 7.654 2.271) 8.140 6.288 ( 5.720 6.696 0.884) 8.851 6.445 ( -1.203 9.402 -1.141) 9.547 6.564 ( 1.416 11.611 3.116) 12.105 6.657 ( 1.381 7.341 -3.371) 8.195 6.803 ( -0.232 -3.766 -0.295) 3.785 7.012 ( 2.146 -7.086 -1.420) 7.539 7.272 ( -0.259 -13.712 2.288) 13.904 7.649 ( 0.033 -7.744 -0.090) 7.745 7.695 ( 0.307 -7.001 -0.274) 7.013 8.738 ( 0.242 -16.531 0.292) 16.535 8.828 ( 0.019 -14.563 -0.111) 14.563 10.296 ( -0.087 0.151 -0.039) 0.179 10.618 ( 0.033 -14.663 0.001) 14.663 11.309 ( -0.443 12.662 -0.092) 12.670 11.899 ( 0.067 2.019 -0.031) 2.020 12.672 ( -0.426 19.449 -0.203) 19.454 12.786 ( -0.013 -0.181 0.331) 0.378 12.925 ( -0.365 7.199 -0.160) 7.210 13.898 ( -0.016 -9.274 0.198) 9.276 13.984 ( 0.002 -4.237 0.021) 4.237 14.227 ( 0.073 -3.200 -0.144) 3.204 ======================= Grid point 25 (16/77) ======================= q-point: ( 0.00 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( 0.000 3.947 0.000) 3.947 1.659 ( 0.000 -1.227 0.000) 1.227 1.812 ( 0.000 5.285 0.000) 5.285 2.032 ( 0.000 -3.095 0.000) 3.095 2.154 ( 0.000 4.304 0.000) 4.304 2.306 ( 0.000 -2.227 0.000) 2.227 2.609 ( 0.000 6.156 0.000) 6.156 2.694 ( 0.000 0.149 0.000) 0.149 2.811 ( 0.000 13.119 0.000) 13.119 2.863 ( 0.000 6.302 0.000) 6.302 2.969 ( 0.000 13.496 0.000) 13.496 3.095 ( 0.000 7.749 0.000) 7.749 3.187 ( 0.000 2.975 0.000) 2.975 3.217 ( 0.000 4.279 0.000) 4.279 3.255 ( 0.000 -3.372 0.000) 3.372 3.432 ( 0.000 15.591 0.000) 15.591 3.485 ( 0.000 2.286 0.000) 2.286 3.581 ( 0.000 4.537 0.000) 4.537 3.731 ( 0.000 5.046 0.000) 5.046 3.763 ( 0.000 6.236 0.000) 6.236 3.789 ( 0.000 3.082 0.000) 3.082 3.906 ( 0.000 1.303 0.000) 1.303 3.919 ( 0.000 3.024 0.000) 3.024 4.000 ( 0.000 8.073 0.000) 8.073 4.122 ( 0.000 -4.145 0.000) 4.145 4.152 ( 0.000 3.640 0.000) 3.640 4.165 ( 0.000 -11.381 0.000) 11.381 4.266 ( 0.000 -5.841 0.000) 5.841 4.441 ( 0.000 -10.787 0.000) 10.787 4.457 ( 0.000 -5.895 0.000) 5.895 4.545 ( 0.000 1.775 0.000) 1.775 4.562 ( 0.000 -2.511 0.000) 2.511 4.772 ( 0.000 1.293 0.000) 1.293 4.781 ( 0.000 1.722 0.000) 1.722 4.831 ( 0.000 -1.652 0.000) 1.652 4.865 ( 0.000 -2.427 0.000) 2.427 4.939 ( 0.000 -2.223 0.000) 2.223 4.957 ( 0.000 -8.277 0.000) 8.277 5.144 ( 0.000 2.165 0.000) 2.165 5.184 ( 0.000 -1.294 0.000) 1.294 5.214 ( 0.000 0.672 0.000) 0.672 5.417 ( 0.000 1.471 0.000) 1.471 5.460 ( 0.000 -5.327 0.000) 5.327 5.484 ( 0.000 -1.203 0.000) 1.203 5.570 ( 0.000 -1.732 0.000) 1.732 5.628 ( 0.000 -0.604 0.000) 0.604 5.654 ( 0.000 -3.139 0.000) 3.139 5.790 ( 0.000 -3.068 0.000) 3.068 6.145 ( 0.000 7.852 0.000) 7.852 6.207 ( 0.000 9.576 0.000) 9.576 6.279 ( 0.000 2.949 0.000) 2.949 6.354 ( 0.000 13.867 0.000) 13.867 6.554 ( 0.000 -2.118 0.000) 2.118 6.660 ( 0.000 8.068 0.000) 8.068 6.786 ( 0.000 4.313 0.000) 4.313 6.849 ( 0.000 4.956 0.000) 4.956 6.864 ( 0.000 4.391 0.000) 4.391 7.052 ( 0.000 -7.687 0.000) 7.687 7.524 ( 0.000 -2.071 0.000) 2.071 7.654 ( 0.000 -0.916 0.000) 0.916 8.484 ( 0.000 -6.649 0.000) 6.649 8.597 ( 0.000 -8.812 0.000) 8.812 10.267 ( 0.000 -2.113 0.000) 2.113 10.366 ( 0.000 -9.029 0.000) 9.029 11.527 ( 0.000 8.401 0.000) 8.401 11.848 ( 0.000 -5.979 0.000) 5.979 12.863 ( 0.000 7.235 0.000) 7.235 13.045 ( 0.000 14.342 0.000) 14.342 13.064 ( 0.000 4.352 0.000) 4.352 13.660 ( 0.000 -12.999 0.000) 12.999 13.938 ( 0.000 -0.177 0.000) 0.177 14.124 ( 0.000 -6.133 0.000) 6.133 ======================= Grid point 26 (17/77) ======================= q-point: ( 0.20 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 5.591 3.136 -0.444) 6.426 1.800 ( 8.231 1.482 -0.315) 8.370 1.950 ( 10.771 3.000 -0.013) 11.181 2.115 ( 7.321 2.520 2.999) 8.303 2.179 ( 4.574 0.912 -4.247) 6.308 2.345 ( 3.737 -1.970 2.510) 4.914 2.597 ( -0.044 6.761 -1.767) 6.988 2.745 ( 1.743 -1.380 5.759) 6.174 2.777 ( -3.221 11.740 -0.154) 12.175 2.868 ( -0.005 6.012 -1.534) 6.205 2.960 ( -1.355 11.028 3.255) 11.578 3.024 ( -4.358 10.079 -2.411) 11.242 3.156 ( 0.007 1.631 -4.576) 4.858 3.230 ( -3.407 0.020 1.836) 3.871 3.284 ( 4.436 3.915 -0.208) 5.920 3.415 ( -2.235 12.862 0.237) 13.056 3.469 ( -1.022 -0.806 -3.780) 3.998 3.573 ( -0.382 6.048 0.428) 6.075 3.692 ( -2.620 8.717 -0.513) 9.117 3.755 ( 0.527 4.017 1.228) 4.233 3.835 ( 0.138 2.586 -0.686) 2.679 3.900 ( 1.221 3.415 2.932) 4.664 3.971 ( 4.477 4.289 1.101) 6.297 4.028 ( 3.029 5.995 -2.307) 7.102 4.094 ( -1.703 1.326 1.057) 2.403 4.167 ( 1.409 -7.363 1.441) 7.634 4.203 ( 2.513 -4.747 -0.055) 5.372 4.269 ( 0.227 -6.761 -1.791) 6.998 4.394 ( -5.170 -3.158 3.936) 7.224 4.476 ( 2.514 -7.224 0.419) 7.661 4.540 ( -1.504 -0.497 -0.600) 1.694 4.561 ( 2.135 -1.694 -4.813) 5.531 4.619 ( -8.648 1.524 1.848) 8.973 4.787 ( -5.987 0.938 0.763) 6.108 4.813 ( -1.872 -1.296 -0.513) 2.334 4.853 ( -0.160 -2.861 0.679) 2.945 4.931 ( 0.694 -0.243 0.843) 1.119 4.990 ( -2.873 -7.205 -0.544) 7.776 5.044 ( -2.558 1.632 -0.894) 3.163 5.171 ( -0.195 -2.274 -4.460) 5.010 5.239 ( -2.492 -3.363 0.820) 4.265 5.389 ( -2.058 -5.757 1.698) 6.346 5.444 ( 1.303 0.258 1.414) 1.941 5.485 ( -4.816 -3.470 -0.732) 5.981 5.513 ( 1.083 0.296 -2.000) 2.294 5.683 ( 2.714 -4.463 2.429) 5.761 5.716 ( 3.594 1.131 1.414) 4.024 5.795 ( 2.027 -1.820 0.880) 2.862 6.180 ( 3.288 11.497 -3.316) 12.409 6.270 ( 3.979 6.281 1.445) 7.575 6.273 ( -0.043 10.534 0.392) 10.541 6.386 ( 3.246 11.266 -0.633) 11.741 6.560 ( 1.391 -2.299 -3.843) 4.689 6.699 ( 2.418 6.400 2.605) 7.320 6.789 ( 0.491 3.534 -0.800) 3.657 6.837 ( -0.890 5.066 2.410) 5.681 6.874 ( 0.464 2.768 -1.561) 3.212 7.051 ( -0.320 -8.025 0.876) 8.079 7.524 ( 0.054 -2.089 0.067) 2.091 7.653 ( -0.059 -0.885 0.071) 0.890 8.484 ( -0.048 -6.805 0.071) 6.806 8.594 ( -0.174 -8.858 -0.038) 8.860 10.267 ( 0.024 -2.088 -0.049) 2.088 10.366 ( -0.025 -9.054 -0.054) 9.054 11.524 ( -0.210 8.528 -0.008) 8.530 11.848 ( -0.023 -6.044 0.019) 6.044 12.866 ( 0.305 7.337 -0.007) 7.343 13.044 ( -0.290 14.826 0.885) 14.855 13.061 ( -0.051 4.359 -0.821) 4.436 13.660 ( 0.048 -13.071 -0.147) 13.072 13.933 ( -0.476 -0.295 0.150) 0.580 14.123 ( -0.044 -6.283 -0.055) 6.283 ======================= Grid point 27 (18/77) ======================= q-point: ( 0.40 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 3.419 3.121 0.318) 4.640 1.913 ( 2.544 -1.540 -0.011) 2.974 2.111 ( 4.989 5.875 -1.841) 7.924 2.223 ( 1.997 4.130 0.773) 4.653 2.378 ( 13.034 2.879 -1.421) 13.424 2.510 ( 8.894 0.521 2.315) 9.205 2.590 ( -2.284 5.286 0.226) 5.763 2.674 ( -5.163 10.931 0.349) 12.095 2.728 ( -4.232 2.151 -1.542) 4.991 2.853 ( 0.512 5.835 3.609) 6.880 2.951 ( -3.348 11.407 -1.851) 12.031 3.003 ( 0.450 -0.930 3.166) 3.330 3.107 ( 1.636 -4.942 0.730) 5.256 3.205 ( -0.402 7.889 -0.219) 7.903 3.303 ( -6.759 2.695 -4.629) 8.624 3.345 ( 0.842 8.130 0.526) 8.191 3.440 ( 0.637 0.436 -2.797) 2.902 3.589 ( 1.450 7.532 2.023) 7.933 3.646 ( -1.643 12.040 -2.693) 12.446 3.758 ( -0.460 2.890 0.556) 2.979 3.806 ( -1.283 0.697 0.339) 1.499 3.992 ( 4.554 10.198 2.698) 11.490 4.043 ( 0.526 4.065 -0.059) 4.099 4.085 ( 4.020 7.085 -2.399) 8.492 4.137 ( 5.018 -0.352 -0.230) 5.036 4.183 ( -2.255 -6.668 6.833) 9.811 4.220 ( 0.040 -7.410 -2.584) 7.848 4.242 ( -4.010 -3.511 -1.281) 5.482 4.362 ( 3.055 1.524 0.269) 3.425 4.462 ( -5.212 2.798 2.166) 6.299 4.485 ( -1.975 2.875 -2.156) 4.101 4.576 ( 4.216 -7.368 0.547) 8.507 4.615 ( 3.654 -2.988 -0.352) 4.733 4.657 ( -4.067 0.501 1.926) 4.528 4.765 ( -5.721 -5.057 -0.158) 7.637 4.790 ( -5.817 -2.964 -2.238) 6.902 4.876 ( -1.434 -5.183 1.504) 5.584 4.888 ( -2.626 -2.792 -1.209) 4.019 5.069 ( 0.943 0.927 -3.537) 3.776 5.165 ( -0.522 -2.643 0.486) 2.737 5.174 ( 0.045 -3.470 0.735) 3.548 5.332 ( -3.931 -11.407 0.515) 12.076 5.447 ( 1.340 0.408 -0.367) 1.448 5.486 ( 0.802 0.807 0.915) 1.460 5.516 ( 0.200 0.865 -1.117) 1.427 5.739 ( 1.219 -7.291 1.386) 7.521 5.787 ( 2.092 1.169 1.246) 2.701 5.844 ( 1.475 -1.266 0.144) 1.950 6.223 ( 2.174 13.410 -2.403) 13.796 6.258 ( -0.986 11.725 1.204) 11.828 6.357 ( 2.490 14.480 -0.200) 14.694 6.469 ( 4.253 5.779 1.729) 7.381 6.547 ( -1.266 -0.136 -3.804) 4.011 6.751 ( 0.917 3.597 2.430) 4.436 6.799 ( 1.385 4.432 -2.247) 5.158 6.844 ( 0.054 3.731 2.056) 4.260 6.858 ( -1.059 -0.306 -0.849) 1.391 7.049 ( -0.230 -8.543 0.574) 8.565 7.526 ( 0.034 -2.129 0.041) 2.130 7.652 ( -0.047 -0.828 0.048) 0.831 8.483 ( -0.016 -7.106 0.056) 7.107 8.591 ( -0.116 -8.928 -0.031) 8.929 10.267 ( 0.020 -2.054 -0.030) 2.055 10.365 ( -0.018 -9.089 -0.033) 9.089 11.520 ( -0.129 8.731 -0.005) 8.732 11.847 ( -0.015 -6.148 0.012) 6.148 12.872 ( 0.202 7.486 -0.009) 7.489 13.043 ( -0.195 16.197 0.725) 16.214 13.056 ( -0.029 3.803 -0.681) 3.864 13.661 ( 0.030 -13.186 -0.090) 13.187 13.925 ( -0.288 -0.502 0.092) 0.586 14.122 ( -0.028 -6.525 -0.033) 6.525 ======================= Grid point 30 (19/77) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 0.000 -0.309 0.000) 0.309 1.649 ( 0.000 0.309 0.000) 0.309 1.946 ( 0.000 -5.625 0.000) 5.625 1.946 ( 0.000 5.625 0.000) 5.625 2.233 ( 0.000 -4.007 0.000) 4.007 2.233 ( 0.000 4.007 0.000) 4.007 2.678 ( 0.000 -1.500 0.000) 1.500 2.678 ( 0.000 1.500 0.000) 1.500 2.988 ( 0.000 -3.768 0.000) 3.768 2.988 ( 0.000 3.768 0.000) 3.768 3.067 ( 0.000 -9.179 0.000) 9.179 3.067 ( 0.000 9.179 0.000) 9.179 3.272 ( 0.000 -3.791 0.000) 3.791 3.272 ( 0.000 3.791 0.000) 3.791 3.367 ( 0.000 -10.855 0.000) 10.855 3.367 ( 0.000 10.855 0.000) 10.855 3.690 ( 0.000 -4.919 0.000) 4.919 3.690 ( 0.000 4.919 0.000) 4.919 3.800 ( 0.000 -13.916 0.000) 13.916 3.800 ( 0.000 13.916 0.000) 13.916 3.852 ( 0.000 -1.370 0.000) 1.370 3.852 ( 0.000 1.370 0.000) 1.370 3.958 ( 0.000 -3.484 0.000) 3.484 3.958 ( 0.000 3.484 0.000) 3.484 4.061 ( 0.000 -0.806 0.000) 0.806 4.061 ( 0.000 0.806 0.000) 0.806 4.250 ( 0.000 -2.061 0.000) 2.061 4.250 ( 0.000 2.061 0.000) 2.061 4.302 ( 0.000 -6.346 0.000) 6.346 4.302 ( 0.000 6.346 0.000) 6.346 4.541 ( 0.000 -0.945 0.000) 0.945 4.541 ( 0.000 0.945 0.000) 0.945 4.811 ( 0.000 -1.094 0.000) 1.094 4.811 ( 0.000 1.094 0.000) 1.094 4.833 ( 0.000 -1.696 0.000) 1.696 4.833 ( 0.000 1.696 0.000) 1.696 4.864 ( 0.000 -1.990 0.000) 1.990 4.864 ( 0.000 1.990 0.000) 1.990 5.184 ( 0.000 -0.238 0.000) 0.238 5.184 ( 0.000 0.238 0.000) 0.238 5.301 ( 0.000 -7.675 0.000) 7.675 5.301 ( 0.000 7.675 0.000) 7.675 5.468 ( 0.000 -1.222 0.000) 1.222 5.468 ( 0.000 1.222 0.000) 1.222 5.561 ( 0.000 -1.590 0.000) 1.590 5.561 ( 0.000 1.590 0.000) 1.590 5.710 ( 0.000 -4.229 0.000) 4.229 5.710 ( 0.000 4.229 0.000) 4.229 6.238 ( 0.000 -2.260 0.000) 2.260 6.238 ( 0.000 2.260 0.000) 2.260 6.396 ( 0.000 -6.052 0.000) 6.052 6.396 ( 0.000 6.052 0.000) 6.052 6.702 ( 0.000 -9.980 0.000) 9.980 6.702 ( 0.000 9.980 0.000) 9.980 6.853 ( 0.000 -1.237 0.000) 1.237 6.853 ( 0.000 1.237 0.000) 1.237 6.928 ( 0.000 -3.417 0.000) 3.417 6.928 ( 0.000 3.417 0.000) 3.417 7.586 ( 0.000 -5.348 0.000) 5.348 7.586 ( 0.000 5.348 0.000) 5.348 8.462 ( 0.000 -3.727 0.000) 3.727 8.462 ( 0.000 3.727 0.000) 3.727 10.255 ( 0.000 -1.879 0.000) 1.879 10.255 ( 0.000 1.879 0.000) 1.879 11.695 ( 0.000 -8.081 0.000) 8.081 11.695 ( 0.000 8.081 0.000) 8.081 13.016 ( 0.000 -6.097 0.000) 6.097 13.016 ( 0.000 6.097 0.000) 6.097 13.370 ( 0.000 -14.966 0.000) 14.966 13.370 ( 0.000 14.966 0.000) 14.966 13.997 ( 0.000 -5.383 0.000) 5.383 13.997 ( 0.000 5.383 0.000) 5.383 ======================= Grid point 32 (20/77) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 6.909 -4.129 0.321) 8.055 1.743 ( 6.909 4.129 0.321) 8.055 2.062 ( 10.430 -5.329 -0.898) 11.747 2.062 ( 10.430 5.329 -0.898) 11.747 2.265 ( 3.776 -5.236 1.070) 6.544 2.265 ( 3.776 5.236 1.070) 6.544 2.687 ( 0.264 -3.224 2.198) 3.911 2.687 ( 0.264 3.224 2.198) 3.911 2.971 ( -3.417 -2.288 0.439) 4.136 2.971 ( -3.417 2.288 0.439) 4.136 3.033 ( -1.304 -3.487 -0.570) 3.766 3.033 ( -1.304 3.487 -0.570) 3.766 3.248 ( -2.963 -6.785 -3.837) 8.339 3.248 ( -2.963 6.785 -3.837) 8.339 3.374 ( 2.097 -4.958 -0.628) 5.420 3.374 ( 2.097 4.958 -0.628) 5.420 3.663 ( -2.803 -3.538 -1.137) 4.655 3.663 ( -2.803 3.538 -1.137) 4.655 3.774 ( -0.653 -6.131 -0.046) 6.166 3.774 ( -0.653 6.131 -0.046) 6.166 3.899 ( 2.832 -8.145 1.228) 8.710 3.899 ( 2.832 8.145 1.228) 8.710 4.008 ( 3.873 -3.039 2.047) 5.331 4.008 ( 3.873 3.039 2.047) 5.331 4.062 ( -0.275 -2.663 1.555) 3.096 4.062 ( -0.275 2.663 1.555) 3.096 4.225 ( -0.482 -4.172 -1.077) 4.335 4.225 ( -0.482 4.172 -1.077) 4.335 4.333 ( 1.906 -5.161 1.184) 5.627 4.333 ( 1.906 5.161 1.184) 5.627 4.536 ( -0.727 -1.063 1.265) 1.805 4.536 ( -0.727 1.063 1.265) 1.805 4.721 ( -5.764 -6.067 -3.574) 9.100 4.721 ( -5.764 6.067 -3.574) 9.100 4.806 ( -0.776 -1.732 1.289) 2.294 4.806 ( -0.776 1.732 1.289) 2.294 4.930 ( -0.274 -0.333 0.796) 0.905 4.930 ( -0.274 0.333 0.796) 0.905 5.137 ( -2.729 -3.750 -1.126) 4.773 5.137 ( -2.729 3.750 -1.126) 4.773 5.222 ( -5.352 -4.712 -1.728) 7.337 5.222 ( -5.352 4.712 -1.728) 7.337 5.454 ( -0.141 -0.865 0.763) 1.162 5.454 ( -0.141 0.865 0.763) 1.162 5.589 ( 1.531 -4.694 -0.019) 4.938 5.589 ( 1.531 4.694 -0.019) 4.938 5.752 ( 3.196 -2.164 0.976) 3.981 5.752 ( 3.196 2.164 0.976) 3.981 6.314 ( 5.749 -0.612 1.611) 6.002 6.314 ( 5.749 0.612 1.611) 6.002 6.406 ( 1.489 -5.983 -2.251) 6.563 6.406 ( 1.489 5.983 -2.251) 6.563 6.713 ( 1.032 -11.271 -0.462) 11.328 6.713 ( 1.032 11.271 -0.462) 11.328 6.851 ( -0.301 -0.714 0.205) 0.801 6.851 ( -0.301 0.714 0.205) 0.801 6.921 ( -0.767 -3.445 0.543) 3.570 6.921 ( -0.767 3.445 0.543) 3.570 7.586 ( -0.025 -5.323 0.161) 5.326 7.586 ( -0.025 5.323 0.161) 5.326 8.459 ( -0.183 -3.696 -0.011) 3.700 8.459 ( -0.183 3.696 -0.011) 3.700 10.255 ( -0.005 -1.846 -0.058) 1.847 10.255 ( -0.005 1.846 -0.058) 1.847 11.694 ( -0.107 -8.117 0.034) 8.118 11.694 ( -0.107 8.117 0.034) 8.118 13.019 ( 0.289 -5.978 0.045) 5.985 13.019 ( 0.289 5.978 0.045) 5.985 13.369 ( -0.051 -14.985 -0.074) 14.985 13.369 ( -0.051 14.985 -0.074) 14.985 13.992 ( -0.385 -5.549 0.018) 5.562 13.992 ( -0.385 5.549 0.018) 5.562 ======================= Grid point 34 (21/77) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 2.817 -3.739 0.060) 4.682 1.851 ( 2.817 3.739 0.060) 4.682 2.212 ( 3.434 -3.866 -1.605) 5.414 2.212 ( 3.434 3.866 -1.605) 5.414 2.466 ( 13.280 -4.235 2.751) 14.208 2.466 ( 13.280 4.235 2.751) 14.208 2.686 ( -2.979 -4.554 -0.357) 5.454 2.686 ( -2.979 4.554 -0.357) 5.454 2.868 ( -4.895 -6.344 2.780) 8.482 2.868 ( -4.895 6.344 2.780) 8.482 3.026 ( -0.829 -3.818 1.989) 4.384 3.026 ( -0.829 3.818 1.989) 4.384 3.126 ( -3.912 -5.420 -6.416) 9.266 3.126 ( -3.912 5.420 -6.416) 9.266 3.433 ( 2.837 -2.857 -0.906) 4.127 3.433 ( 2.837 2.857 -0.906) 4.127 3.596 ( -2.342 -6.551 -0.400) 6.968 3.596 ( -2.342 6.551 -0.400) 6.968 3.775 ( 0.128 -1.312 0.426) 1.386 3.775 ( 0.128 1.312 0.427) 1.386 3.933 ( 0.223 -12.048 0.325) 12.055 3.933 ( 0.223 12.048 0.325) 12.055 4.060 ( -0.452 -3.095 0.753) 3.218 4.060 ( -0.452 3.095 0.753) 3.218 4.107 ( 3.459 -2.599 0.649) 4.375 4.107 ( 3.459 2.599 0.649) 4.375 4.275 ( 4.674 -9.054 2.698) 10.541 4.275 ( 4.674 9.054 2.698) 10.541 4.361 ( -0.293 -7.525 0.038) 7.531 4.361 ( -0.293 7.525 0.038) 7.531 4.539 ( -0.170 -2.215 0.565) 2.292 4.539 ( -0.170 2.215 0.565) 2.292 4.603 ( -1.411 -3.909 -3.001) 5.126 4.603 ( -1.411 3.909 -3.001) 5.126 4.756 ( -8.076 -1.469 0.212) 8.211 4.756 ( -8.076 1.469 0.212) 8.211 4.829 ( -2.039 -1.942 -0.467) 2.854 4.829 ( -2.039 1.942 -0.467) 2.854 5.125 ( -1.201 -1.535 -1.279) 2.332 5.125 ( -1.201 1.535 -1.280) 2.332 5.157 ( 0.800 -4.557 0.854) 4.705 5.157 ( 0.800 4.557 0.854) 4.705 5.464 ( 0.255 -1.045 0.606) 1.235 5.464 ( 0.255 1.045 0.606) 1.235 5.605 ( 0.363 -5.654 -0.436) 5.682 5.605 ( 0.363 5.654 -0.436) 5.682 5.814 ( 1.861 -1.467 0.437) 2.410 5.814 ( 1.861 1.467 0.437) 2.410 6.415 ( 0.535 -3.515 4.098) 5.425 6.415 ( 0.535 3.515 4.098) 5.425 6.435 ( 3.872 -6.041 -4.613) 8.530 6.435 ( 3.872 6.041 -4.613) 8.530 6.727 ( 0.279 -14.225 -0.205) 14.229 6.727 ( 0.279 14.225 -0.205) 14.230 6.846 ( -0.163 -3.671 0.090) 3.675 6.846 ( -0.163 3.671 0.090) 3.675 6.908 ( -0.594 -3.765 0.411) 3.833 6.908 ( -0.594 3.765 0.411) 3.833 7.586 ( -0.024 -5.282 0.103) 5.283 7.586 ( -0.024 5.282 0.103) 5.283 8.456 ( -0.117 -3.636 -0.010) 3.638 8.456 ( -0.117 3.636 -0.010) 3.638 10.255 ( -0.003 -1.789 -0.035) 1.789 10.255 ( -0.003 1.789 -0.035) 1.789 11.692 ( -0.066 -8.174 0.021) 8.175 11.692 ( -0.066 8.174 0.021) 8.175 13.025 ( 0.180 -5.773 0.028) 5.776 13.025 ( 0.180 5.773 0.028) 5.776 13.368 ( -0.030 -15.013 -0.046) 15.013 13.368 ( -0.030 15.013 -0.046) 15.013 13.985 ( -0.240 -5.817 0.011) 5.822 13.985 ( -0.240 5.817 0.011) 5.822 ======================= Grid point 65 (22/77) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 25.678 0.000 25.162) 35.951 0.539 ( -0.656 0.000 26.125) 26.133 0.877 ( -11.740 0.000 39.430) 41.141 1.195 ( -3.773 0.000 6.692) 7.682 1.392 ( 2.665 0.000 -14.607) 14.848 1.413 ( -10.894 0.000 -14.076) 17.800 1.560 ( -0.913 0.000 -3.691) 3.802 1.676 ( 4.454 0.000 -14.983) 15.631 1.826 ( -1.956 0.000 5.683) 6.010 1.862 ( 0.664 0.000 -8.017) 8.044 2.017 ( -2.061 0.000 9.605) 9.824 2.106 ( -0.954 0.000 -4.443) 4.544 2.307 ( 1.025 0.000 8.968) 9.027 2.406 ( 0.008 0.000 -4.427) 4.427 2.444 ( -1.700 0.000 5.291) 5.557 2.614 ( -0.559 0.000 2.609) 2.668 2.648 ( 4.798 0.000 -21.945) 22.463 2.845 ( 6.305 0.000 -0.687) 6.342 2.927 ( 0.724 0.000 -2.319) 2.429 3.129 ( -0.639 0.000 4.771) 4.813 3.297 ( 2.289 0.000 -2.334) 3.269 3.607 ( 0.097 0.000 0.817) 0.822 3.621 ( -3.081 0.000 -8.905) 9.423 3.628 ( -0.030 0.000 -0.086) 0.091 3.760 ( 0.192 0.000 0.569) 0.600 3.906 ( 0.622 0.000 -1.629) 1.744 3.955 ( -3.941 0.000 9.244) 10.049 3.988 ( -0.460 0.000 0.647) 0.794 4.035 ( -7.258 0.000 1.532) 7.418 4.215 ( 2.265 0.000 17.405) 17.552 4.414 ( 6.290 0.000 0.318) 6.298 4.495 ( -7.782 0.000 -0.847) 7.828 4.550 ( -0.168 0.000 -0.744) 0.763 4.581 ( -0.071 0.000 0.462) 0.467 4.596 ( -0.000 0.000 -0.046) 0.046 4.666 ( -0.315 0.000 -0.387) 0.498 4.753 ( 2.597 0.000 4.640) 5.317 4.783 ( 1.674 0.000 2.688) 3.167 4.909 ( 2.964 0.000 -5.494) 6.243 5.089 ( 4.125 0.000 -2.228) 4.688 5.171 ( -0.291 0.000 -0.905) 0.951 5.311 ( -19.408 0.000 -5.890) 20.282 5.362 ( 0.329 0.000 -6.133) 6.142 5.480 ( -3.653 0.000 8.374) 9.136 5.526 ( 0.053 0.000 0.101) 0.114 5.704 ( -1.642 0.000 -9.566) 9.706 5.731 ( -3.538 0.000 -3.092) 4.699 5.856 ( 4.251 0.000 -0.049) 4.251 5.903 ( 0.150 0.000 0.663) 0.680 6.125 ( 4.528 0.000 -5.352) 7.011 6.438 ( -0.480 0.000 2.581) 2.626 6.489 ( 5.205 0.000 -5.629) 7.667 6.749 ( 12.370 0.000 -0.754) 12.393 7.031 ( 10.943 0.000 3.683) 11.546 7.053 ( -22.885 0.000 9.712) 24.860 7.318 ( -4.204 0.000 4.881) 6.441 7.506 ( 23.800 0.000 -2.540) 23.936 7.802 ( 0.105 0.000 -0.353) 0.368 7.831 ( -0.105 0.000 0.354) 0.369 9.487 ( -28.258 0.000 6.660) 29.032 9.691 ( -0.666 0.000 2.830) 2.907 9.696 ( -0.002 0.000 -0.006) 0.006 10.055 ( 9.428 0.000 -11.489) 14.862 10.394 ( 0.019 0.000 -2.739) 2.739 10.807 ( 0.062 0.000 -0.189) 0.199 11.166 ( 0.895 0.000 4.194) 4.288 12.473 ( 0.005 0.000 -0.009) 0.010 13.358 ( -0.081 0.000 0.343) 0.353 13.377 ( 0.078 0.000 -0.333) 0.342 13.586 ( -0.419 0.000 0.859) 0.956 13.753 ( 0.528 0.000 -1.108) 1.227 14.098 ( -0.001 0.000 -0.001) 0.002 ======================= Grid point 66 (23/77) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 5.025 0.000 21.312) 21.897 0.725 ( 1.574 0.000 27.353) 27.398 1.094 ( -5.880 0.000 -23.618) 24.339 1.114 ( -7.482 0.000 6.071) 9.636 1.360 ( 2.767 0.000 -16.657) 16.885 1.442 ( 7.453 0.000 6.995) 10.222 1.534 ( 21.657 0.000 18.439) 28.443 1.691 ( 4.304 0.000 -13.829) 14.483 1.820 ( -1.677 0.000 6.288) 6.508 1.845 ( -8.564 0.000 0.874) 8.608 1.924 ( 3.513 0.000 1.703) 3.904 2.196 ( 4.819 0.000 6.015) 7.707 2.357 ( -0.705 0.000 -9.686) 9.712 2.424 ( 7.301 0.000 3.965) 8.309 2.447 ( -0.962 0.000 6.141) 6.216 2.607 ( -1.212 0.000 1.687) 2.077 2.669 ( 8.069 0.000 -20.167) 21.721 2.929 ( 0.608 0.000 -2.159) 2.243 3.038 ( 8.365 0.000 -11.951) 14.587 3.180 ( 2.363 0.000 15.734) 15.910 3.338 ( -10.742 0.000 -7.169) 12.914 3.435 ( 6.071 0.000 -5.411) 8.132 3.614 ( 0.158 0.000 0.604) 0.624 3.627 ( 0.035 0.000 -0.109) 0.115 3.767 ( 0.185 0.000 0.270) 0.327 3.848 ( -11.700 0.000 8.818) 14.651 3.889 ( -4.494 0.000 3.232) 5.535 3.909 ( 0.467 0.000 -1.932) 1.988 3.984 ( -0.368 0.000 1.029) 1.093 4.278 ( -2.538 0.000 8.820) 9.178 4.433 ( -0.832 0.000 0.581) 1.015 4.525 ( 1.941 0.000 4.631) 5.021 4.547 ( 0.194 0.000 -0.411) 0.454 4.580 ( -0.225 0.000 0.389) 0.449 4.596 ( 0.025 0.000 -0.024) 0.035 4.659 ( -3.592 0.000 -0.208) 3.598 4.738 ( -4.403 0.000 -1.875) 4.785 4.822 ( 1.616 0.000 -1.049) 1.927 4.952 ( -2.005 0.000 4.907) 5.301 5.040 ( 3.505 0.000 2.399) 4.247 5.117 ( -3.302 0.000 -3.398) 4.738 5.167 ( -8.007 0.000 3.414) 8.705 5.294 ( 5.853 0.000 -4.849) 7.600 5.527 ( 0.025 0.000 0.031) 0.040 5.587 ( 1.034 0.000 4.015) 4.147 5.662 ( 5.127 0.000 -10.147) 11.368 5.754 ( 2.829 0.000 4.456) 5.278 5.866 ( 1.748 0.000 -1.426) 2.256 5.929 ( -4.666 0.000 2.959) 5.525 6.126 ( -2.045 0.000 -4.563) 5.000 6.447 ( -5.485 0.000 6.401) 8.430 6.510 ( -1.428 0.000 -14.645) 14.714 6.671 ( 4.977 0.000 -6.482) 8.173 6.869 ( -0.702 0.000 -8.072) 8.103 7.188 ( 3.764 0.000 6.040) 7.117 7.305 ( 0.071 0.000 3.494) 3.495 7.802 ( 0.072 0.000 -0.366) 0.373 7.830 ( -0.129 0.000 0.367) 0.389 8.177 ( 31.941 0.000 -15.093) 35.328 8.965 ( -27.235 0.000 23.510) 35.979 9.692 ( -0.774 0.000 2.689) 2.798 9.697 ( 0.064 0.000 -0.002) 0.064 10.135 ( 4.048 0.000 -7.070) 8.146 10.360 ( -0.549 0.000 0.424) 0.694 10.798 ( -0.551 0.000 -0.158) 0.574 10.915 ( -18.534 0.000 10.036) 21.076 12.473 ( 0.036 0.000 -0.011) 0.037 13.358 ( -0.097 0.000 0.342) 0.356 13.377 ( 0.062 0.000 -0.332) 0.338 13.592 ( 0.342 0.000 0.461) 0.574 13.764 ( 0.966 0.000 -0.654) 1.166 14.097 ( -0.034 0.000 -0.000) 0.034 ======================= Grid point 67 (24/77) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -3.207 0.000 9.057) 9.608 0.965 ( 9.312 0.000 5.207) 10.669 1.001 ( -2.955 0.000 13.259) 13.585 1.041 ( 10.234 0.000 -4.977) 11.380 1.343 ( 4.230 0.000 -15.972) 16.522 1.427 ( -6.578 0.000 11.421) 13.180 1.672 ( -7.233 0.000 9.871) 12.237 1.699 ( 3.661 0.000 -13.972) 14.444 1.824 ( -1.294 0.000 6.711) 6.835 1.867 ( 1.138 0.000 -9.685) 9.751 2.103 ( 3.166 0.000 5.882) 6.680 2.279 ( -0.559 0.000 -11.972) 11.985 2.464 ( -1.257 0.000 8.017) 8.115 2.485 ( 11.667 0.000 4.443) 12.484 2.589 ( -0.702 0.000 -0.075) 0.706 2.666 ( 15.553 0.000 3.791) 16.009 2.752 ( -13.193 0.000 -8.857) 15.890 2.791 ( 7.487 0.000 -6.787) 10.105 2.928 ( 0.439 0.000 -2.053) 2.099 3.217 ( 0.026 0.000 10.036) 10.036 3.387 ( 10.875 0.000 1.531) 10.982 3.610 ( -4.571 0.000 0.393) 4.588 3.616 ( -3.311 0.000 2.734) 4.293 3.618 ( -0.086 0.000 0.308) 0.320 3.627 ( -0.011 0.000 -0.259) 0.259 3.768 ( -0.084 0.000 -0.258) 0.271 3.897 ( 2.480 0.000 0.576) 2.546 3.905 ( 0.277 0.000 -1.945) 1.964 3.985 ( -0.098 0.000 1.262) 1.266 4.183 ( -11.764 0.000 -2.479) 12.022 4.343 ( -1.859 0.000 -5.879) 6.166 4.434 ( -8.100 0.000 -7.211) 10.845 4.554 ( 0.479 0.000 0.024) 0.479 4.577 ( -0.273 0.000 0.433) 0.512 4.583 ( -3.147 0.000 3.635) 4.808 4.596 ( 0.002 0.000 -0.042) 0.042 4.738 ( 3.910 0.000 6.097) 7.243 4.866 ( 0.889 0.000 1.591) 1.822 4.931 ( -6.777 0.000 0.184) 6.779 4.979 ( 0.160 0.000 8.091) 8.093 5.114 ( 0.997 0.000 6.415) 6.492 5.193 ( 3.256 0.000 -0.163) 3.260 5.381 ( 3.371 0.000 -2.617) 4.267 5.491 ( -9.270 0.000 0.513) 9.284 5.527 ( -0.037 0.000 -0.080) 0.088 5.660 ( -7.748 0.000 -9.159) 11.996 5.720 ( 3.703 0.000 -13.839) 14.326 5.786 ( -1.215 0.000 1.490) 1.923 5.962 ( 2.938 0.000 6.854) 7.457 6.237 ( 8.403 0.000 10.115) 13.150 6.316 ( -3.870 0.000 -6.934) 7.940 6.493 ( -0.530 0.000 -0.369) 0.646 6.790 ( 2.528 0.000 -18.209) 18.384 6.858 ( 7.933 0.000 6.610) 10.326 7.274 ( 0.676 0.000 5.859) 5.898 7.380 ( 6.914 0.000 -0.990) 6.984 7.802 ( 0.070 0.000 -0.377) 0.384 7.829 ( -0.106 0.000 0.378) 0.393 8.370 ( -6.844 0.000 -19.605) 20.765 8.833 ( 4.235 0.000 29.605) 29.906 9.689 ( -0.823 0.000 2.728) 2.849 9.698 ( 0.042 0.000 0.003) 0.042 10.156 ( 1.438 0.000 -5.406) 5.594 10.365 ( -0.554 0.000 -3.375) 3.420 10.608 ( -12.663 0.000 4.116) 13.316 10.796 ( -0.119 0.000 0.434) 0.450 12.474 ( 0.021 0.000 -0.015) 0.026 13.358 ( -0.100 0.000 0.331) 0.346 13.376 ( 0.078 0.000 -0.320) 0.330 13.595 ( -0.176 0.000 -0.055) 0.185 13.778 ( 0.528 0.000 -0.368) 0.644 14.097 ( -0.020 0.000 0.001) 0.020 ======================= Grid point 68 (25/77) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -13.285 0.000 9.861) 16.545 0.976 ( -14.246 0.000 -6.230) 15.549 1.115 ( 2.555 0.000 12.144) 12.410 1.325 ( 10.812 0.000 11.438) 15.739 1.362 ( 5.186 0.000 -13.585) 14.541 1.364 ( 5.691 0.000 2.628) 6.269 1.689 ( -12.505 0.000 5.887) 13.821 1.691 ( 3.196 0.000 -15.072) 15.407 1.746 ( -2.265 0.000 11.352) 11.575 1.834 ( -1.337 0.000 6.353) 6.492 2.001 ( -12.821 0.000 -11.775) 17.408 2.114 ( -1.226 0.000 -2.336) 2.638 2.471 ( -2.418 0.000 8.302) 8.647 2.478 ( -1.566 0.000 -4.096) 4.385 2.535 ( -2.635 0.000 -6.611) 7.117 2.586 ( 0.518 0.000 -0.225) 0.565 2.792 ( 1.781 0.000 -2.116) 2.766 2.926 ( 0.460 0.000 -2.131) 2.180 3.152 ( -13.695 0.000 14.097) 19.654 3.335 ( -1.478 0.000 -7.550) 7.694 3.442 ( 19.900 0.000 8.523) 21.648 3.570 ( 1.319 0.000 -2.676) 2.983 3.613 ( -0.475 0.000 0.149) 0.498 3.626 ( 0.095 0.000 -0.109) 0.145 3.680 ( 2.613 0.000 -1.017) 2.803 3.762 ( -0.276 0.000 -0.312) 0.416 3.807 ( -4.902 0.000 5.118) 7.087 3.902 ( 0.356 0.000 -1.668) 1.705 3.991 ( -0.050 0.000 1.050) 1.051 4.043 ( 1.618 0.000 -1.718) 2.360 4.238 ( 0.320 0.000 -14.155) 14.159 4.386 ( 0.472 0.000 -1.590) 1.659 4.542 ( 0.375 0.000 6.411) 6.422 4.562 ( 0.215 0.000 -0.206) 0.298 4.576 ( -0.113 0.000 0.672) 0.681 4.596 ( 0.000 0.000 -0.056) 0.056 4.829 ( -2.924 0.000 1.927) 3.502 4.836 ( -1.556 0.000 6.372) 6.560 4.942 ( 7.388 0.000 2.147) 7.694 5.038 ( 0.928 0.000 7.358) 7.417 5.109 ( -7.391 0.000 -2.790) 7.900 5.238 ( 2.095 0.000 7.639) 7.921 5.327 ( -1.483 0.000 -2.765) 3.137 5.459 ( 5.034 0.000 -2.089) 5.451 5.525 ( -0.049 0.000 -0.080) 0.094 5.593 ( 2.100 0.000 -6.518) 6.848 5.709 ( 1.551 0.000 -9.577) 9.702 5.796 ( 3.554 0.000 -2.046) 4.101 6.019 ( -0.923 0.000 7.540) 7.597 6.196 ( -3.448 0.000 -8.896) 9.540 6.399 ( 0.967 0.000 3.590) 3.718 6.477 ( -1.060 0.000 4.232) 4.363 6.756 ( 4.183 0.000 -11.029) 11.796 7.042 ( 4.448 0.000 3.157) 5.455 7.294 ( -1.321 0.000 5.564) 5.719 7.498 ( 2.708 0.000 0.260) 2.720 7.801 ( 0.103 0.000 -0.371) 0.385 7.830 ( -0.068 0.000 0.371) 0.377 8.008 ( -15.938 0.000 -18.337) 24.296 9.180 ( 14.119 0.000 26.090) 29.666 9.690 ( -0.529 0.000 2.892) 2.940 9.698 ( -0.038 0.000 0.003) 0.038 10.115 ( -4.563 0.000 -7.414) 8.706 10.232 ( -4.415 0.000 -3.654) 5.731 10.561 ( 2.965 0.000 3.608) 4.670 10.801 ( 0.437 0.000 0.370) 0.573 12.474 ( -0.018 0.000 -0.015) 0.024 13.357 ( -0.086 0.000 0.325) 0.336 13.376 ( 0.103 0.000 -0.315) 0.331 13.587 ( -0.480 0.000 -0.031) 0.481 13.778 ( -0.415 0.000 -0.376) 0.560 14.097 ( 0.021 0.000 0.001) 0.021 ======================= Grid point 69 (26/77) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.433 ( -29.986 0.000 -11.742) 32.203 0.531 ( -10.706 0.000 19.991) 22.678 1.185 ( -28.763 0.000 27.416) 39.736 1.195 ( -0.263 0.000 8.730) 8.734 1.394 ( 4.265 0.000 -12.471) 13.180 1.503 ( 3.057 0.000 5.898) 6.643 1.608 ( 2.318 0.000 -6.743) 7.130 1.676 ( 3.637 0.000 -15.974) 16.383 1.788 ( 3.185 0.000 7.876) 8.496 1.834 ( -1.756 0.000 5.723) 5.986 1.977 ( 6.793 0.000 -0.608) 6.820 2.077 ( -0.426 0.000 -1.550) 1.608 2.380 ( -7.030 0.000 -4.447) 8.318 2.455 ( -1.633 0.000 -2.271) 2.797 2.457 ( -2.513 0.000 6.185) 6.676 2.602 ( 0.428 0.000 1.860) 1.909 2.730 ( -4.209 0.000 -11.334) 12.090 2.898 ( -10.997 0.000 3.650) 11.587 2.925 ( 0.626 0.000 -2.295) 2.379 3.167 ( -3.216 0.000 -8.165) 8.776 3.358 ( -7.903 0.000 -3.868) 8.799 3.605 ( -0.313 0.000 0.492) 0.583 3.628 ( 0.065 0.000 -0.021) 0.069 3.673 ( 0.556 0.000 -6.150) 6.175 3.757 ( -0.138 0.000 0.192) 0.237 3.888 ( 7.318 0.000 7.235) 10.291 3.903 ( 0.544 0.000 -1.522) 1.616 3.993 ( -0.249 0.000 0.709) 0.752 3.994 ( 8.250 0.000 14.139) 16.370 4.107 ( 1.130 0.000 7.365) 7.451 4.274 ( 7.790 0.000 -6.202) 9.957 4.445 ( 7.851 0.000 4.308) 8.955 4.559 ( -0.211 0.000 -0.610) 0.646 4.579 ( 0.016 0.000 0.599) 0.599 4.596 ( 0.025 0.000 -0.033) 0.041 4.634 ( 3.301 0.000 5.723) 6.606 4.761 ( -4.377 0.000 2.476) 5.029 4.834 ( -3.696 0.000 -3.944) 5.406 4.919 ( -1.674 0.000 -3.713) 4.073 5.027 ( 1.002 0.000 -1.140) 1.517 5.157 ( 2.650 0.000 1.188) 2.904 5.317 ( 1.900 0.000 -1.907) 2.691 5.342 ( 6.492 0.000 12.881) 14.425 5.525 ( 0.007 0.000 0.032) 0.032 5.537 ( 2.452 0.000 0.668) 2.541 5.627 ( 3.616 0.000 -10.063) 10.693 5.732 ( 4.560 0.000 -3.297) 5.627 5.874 ( -0.343 0.000 7.199) 7.207 6.002 ( -2.155 0.000 2.446) 3.260 6.124 ( 1.389 0.000 -8.248) 8.364 6.394 ( 1.521 0.000 -1.613) 2.217 6.458 ( -1.499 0.000 0.386) 1.548 6.830 ( -1.044 0.000 0.256) 1.075 6.950 ( -7.956 0.000 -24.454) 25.716 7.279 ( -3.673 0.000 5.799) 6.864 7.435 ( -5.519 0.000 -3.278) 6.419 7.581 ( -19.223 0.000 -5.502) 19.995 7.802 ( 0.125 0.000 -0.356) 0.377 7.830 ( -0.068 0.000 0.357) 0.363 9.656 ( 9.807 0.000 6.737) 11.898 9.697 ( -0.065 0.000 -0.002) 0.065 9.734 ( 11.176 0.000 10.786) 15.532 9.909 ( -7.394 0.000 -11.504) 13.676 10.268 ( 6.487 0.000 7.636) 10.020 10.707 ( 9.483 0.000 12.425) 15.631 10.824 ( 2.281 0.000 3.278) 3.994 12.473 ( -0.028 0.000 -0.011) 0.030 13.358 ( -0.074 0.000 0.333) 0.341 13.377 ( 0.103 0.000 -0.322) 0.338 13.583 ( 0.069 0.000 0.794) 0.797 13.761 ( -0.789 0.000 -0.652) 1.024 14.097 ( 0.033 0.000 -0.000) 0.033 ======================= Grid point 70 (27/77) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 18.139 11.187 17.389) 27.506 0.825 ( -9.033 17.277 19.576) 27.628 1.242 ( -0.784 26.060 17.405) 31.347 1.419 ( -10.109 3.672 -14.953) 18.419 1.485 ( -3.885 18.961 -1.306) 19.399 1.574 ( 2.005 14.024 -7.385) 15.976 1.630 ( -2.459 10.866 3.769) 11.761 1.835 ( 2.301 9.981 -12.094) 15.849 1.932 ( 3.681 11.665 -3.273) 12.662 2.034 ( 1.565 15.642 6.325) 16.945 2.107 ( 1.668 6.268 9.035) 11.122 2.175 ( -5.725 10.984 -5.949) 13.741 2.316 ( -1.126 2.131 8.874) 9.196 2.397 ( 0.570 1.606 -2.630) 3.134 2.538 ( -0.439 6.032 -1.547) 6.243 2.713 ( 1.551 7.423 -12.204) 14.368 2.781 ( 0.244 11.700 3.827) 12.313 2.878 ( 7.050 4.971 -3.581) 9.340 3.075 ( 0.903 10.494 -3.515) 11.104 3.131 ( -0.006 2.558 3.743) 4.533 3.320 ( 1.404 3.561 -3.590) 5.248 3.576 ( -1.238 -1.596 -6.351) 6.665 3.647 ( 0.473 0.547 1.122) 1.334 3.676 ( -0.568 4.561 -0.160) 4.599 3.845 ( -1.552 -0.634 2.603) 3.096 3.874 ( -0.203 2.305 -1.264) 2.637 3.963 ( -1.750 4.270 -1.344) 4.806 4.052 ( -2.099 6.668 0.694) 7.025 4.117 ( -1.683 4.912 9.308) 10.658 4.323 ( 0.255 7.731 7.343) 10.666 4.438 ( 5.583 3.489 2.438) 7.021 4.513 ( -6.325 2.661 -2.955) 7.471 4.593 ( -1.337 -1.128 0.187) 1.759 4.645 ( -1.791 3.390 -0.363) 3.851 4.681 ( 1.982 6.510 -0.597) 6.831 4.742 ( 3.387 5.723 -0.204) 6.653 4.772 ( 1.072 4.073 -2.138) 4.723 4.810 ( 0.702 4.113 3.394) 5.378 4.915 ( 1.156 0.839 -3.607) 3.879 5.086 ( 4.610 -0.525 -1.771) 4.966 5.199 ( 0.543 3.165 -0.599) 3.267 5.297 ( -17.787 0.115 -1.190) 17.828 5.377 ( 4.203 1.837 -8.141) 9.344 5.492 ( -1.743 2.402 7.925) 8.462 5.541 ( -3.025 0.585 1.305) 3.346 5.699 ( 5.720 -2.599 -4.815) 7.915 5.710 ( -6.650 -0.396 -7.420) 9.972 5.856 ( -3.225 -2.360 1.081) 4.140 5.871 ( 4.333 -0.831 -1.086) 4.544 6.086 ( 2.939 -3.360 -0.219) 4.469 6.353 ( 1.734 -7.517 6.350) 9.991 6.421 ( 4.299 -5.836 -1.338) 7.371 6.685 ( 7.368 -5.430 -4.294) 10.110 6.862 ( 7.438 -11.114 6.138) 14.714 6.943 ( -15.351 -9.590 1.802) 18.190 7.204 ( 0.365 -9.137 4.177) 10.053 7.280 ( 5.211 -12.038 3.398) 13.551 7.760 ( 0.701 -3.916 -0.917) 4.083 8.040 ( 3.299 5.533 -7.463) 9.859 8.960 ( -8.820 -26.225 18.093) 33.059 9.760 ( -1.963 -0.511 -10.577) 10.770 9.810 ( -0.605 3.061 2.079) 3.750 9.972 ( 3.501 -5.687 -5.445) 8.616 10.551 ( -2.003 9.587 -0.119) 9.794 10.843 ( 0.495 -13.414 11.845) 17.902 11.214 ( -0.325 26.469 -4.909) 26.922 12.314 ( 0.057 -14.314 0.013) 14.314 13.174 ( -0.126 -13.125 -0.157) 13.126 13.275 ( -0.923 -6.839 1.035) 6.978 13.744 ( 1.451 9.731 -2.451) 10.140 13.923 ( -0.360 11.669 0.672) 11.694 14.133 ( 0.298 2.340 0.177) 2.366 ======================= Grid point 71 (28/77) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 3.177 13.253 18.406) 22.903 1.006 ( 6.560 13.828 6.096) 16.474 1.141 ( -1.502 7.640 -15.030) 16.927 1.415 ( -0.361 18.189 0.877) 18.214 1.512 ( 1.145 9.461 5.091) 10.805 1.555 ( 4.611 14.479 -7.663) 17.018 1.675 ( 11.758 14.797 12.867) 22.864 1.806 ( -0.555 11.019 -2.189) 11.248 1.950 ( -4.682 11.701 6.654) 14.252 2.015 ( -4.203 14.382 -1.708) 15.080 2.078 ( 4.417 15.261 -2.813) 16.135 2.208 ( 3.286 2.069 5.862) 7.031 2.380 ( 1.490 4.563 -5.523) 7.317 2.431 ( 7.104 3.385 1.375) 7.988 2.564 ( 2.772 8.303 4.280) 9.744 2.697 ( 2.205 5.840 -11.186) 12.810 2.793 ( 0.768 11.518 0.210) 11.546 3.050 ( 5.395 8.238 -8.743) 13.169 3.076 ( -0.596 4.027 -6.314) 7.512 3.201 ( 7.393 4.033 8.865) 12.227 3.345 ( -6.060 1.758 -3.222) 7.085 3.419 ( 1.185 1.172 -4.251) 4.566 3.652 ( -0.464 0.784 1.028) 1.374 3.668 ( -0.370 3.458 0.208) 3.484 3.772 ( -7.256 -3.332 4.027) 8.943 3.857 ( -1.754 5.868 -1.713) 6.360 3.892 ( -2.563 2.434 2.247) 4.189 4.019 ( -1.324 8.668 -1.355) 8.873 4.047 ( -5.397 5.435 4.778) 9.028 4.351 ( -0.927 3.882 2.348) 4.631 4.416 ( -1.654 1.914 6.263) 6.754 4.548 ( -0.379 2.139 2.168) 3.069 4.569 ( -2.048 -1.022 -2.150) 3.140 4.623 ( 0.060 2.578 1.520) 2.994 4.696 ( -0.974 8.371 0.508) 8.443 4.727 ( -0.544 8.136 -5.071) 9.603 4.791 ( -3.072 4.519 -2.323) 5.938 4.824 ( 1.041 0.764 0.055) 1.293 4.967 ( -0.368 1.521 3.384) 3.728 5.038 ( 3.576 -0.093 3.078) 4.719 5.116 ( -4.639 0.550 -0.625) 4.713 5.192 ( -8.844 2.761 3.200) 9.802 5.307 ( 4.357 1.703 -4.865) 6.749 5.530 ( -1.553 -0.231 1.564) 2.216 5.575 ( 3.359 -0.861 2.893) 4.516 5.684 ( 4.771 0.672 -4.666) 6.707 5.775 ( 4.469 3.057 -1.497) 5.617 5.841 ( 1.321 -2.113 -1.903) 3.135 5.897 ( -4.608 -3.030 2.624) 6.107 6.102 ( -1.401 -2.901 -1.514) 3.559 6.416 ( -2.612 -3.583 5.024) 6.701 6.438 ( -0.381 -7.021 -10.972) 13.032 6.612 ( 3.220 -5.187 -6.130) 8.652 6.778 ( -1.371 -8.476 -5.601) 10.251 6.998 ( 1.594 -14.372 7.552) 16.313 7.213 ( -0.428 -6.837 3.453) 7.672 7.579 ( 10.865 -18.583 -0.745) 21.539 7.801 ( 4.404 -1.642 -2.287) 5.227 8.149 ( 11.449 -4.902 -8.339) 14.989 8.838 ( -11.877 -11.462 20.212) 26.095 9.669 ( -0.964 -2.912 -7.224) 7.848 9.833 ( 0.510 10.717 2.329) 10.979 10.024 ( 3.973 -10.168 -4.455) 11.791 10.482 ( -4.198 7.006 3.773) 8.996 10.753 ( -11.842 -7.824 5.910) 15.374 11.122 ( -3.713 27.249 -1.048) 27.520 12.315 ( 0.028 -14.271 -0.014) 14.271 13.169 ( -0.240 -12.607 0.291) 12.612 13.262 ( -0.658 -7.316 0.783) 7.388 13.757 ( 0.851 9.583 -1.914) 9.809 13.928 ( 0.533 11.648 0.755) 11.685 14.131 ( -0.410 2.268 -0.056) 2.305 ======================= Grid point 72 (29/77) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 7.447 11.056 9.556) 16.402 1.055 ( 7.583 8.765 -7.796) 13.968 1.210 ( 3.051 17.896 4.062) 18.603 1.380 ( -3.005 21.561 5.624) 22.484 1.500 ( -0.762 15.206 3.053) 15.529 1.590 ( 1.298 14.468 -1.454) 14.599 1.698 ( -5.936 6.980 4.337) 10.137 1.813 ( 0.061 8.363 -6.830) 10.798 1.942 ( -2.720 10.721 -2.346) 11.307 2.041 ( 0.358 12.284 -0.399) 12.295 2.161 ( 2.215 8.332 4.231) 9.604 2.367 ( 0.121 8.064 -10.504) 13.243 2.472 ( 15.135 3.416 7.969) 17.443 2.540 ( -0.263 3.678 0.984) 3.817 2.651 ( -3.399 6.046 -0.458) 6.951 2.736 ( 9.632 8.209 7.004) 14.464 2.809 ( -7.584 3.234 -7.616) 11.224 2.883 ( 5.617 9.242 -2.347) 11.067 3.081 ( 1.877 12.435 -3.577) 13.075 3.238 ( -1.112 3.383 7.148) 7.985 3.409 ( 9.408 3.174 0.369) 9.936 3.550 ( 2.789 -3.047 -1.310) 4.334 3.563 ( -10.895 -2.647 4.349) 12.026 3.664 ( 0.391 1.565 -1.147) 1.979 3.687 ( 1.580 2.557 -1.672) 3.440 3.802 ( -1.861 3.197 0.003) 3.700 3.910 ( 1.513 1.801 -0.021) 2.352 3.964 ( -3.627 4.833 1.278) 6.176 4.022 ( 2.733 5.989 -1.736) 6.808 4.247 ( -14.040 3.382 -5.616) 15.494 4.344 ( -0.190 2.297 -5.498) 5.962 4.443 ( -4.856 2.063 0.183) 5.279 4.593 ( -3.039 3.266 0.518) 4.491 4.615 ( 3.893 1.772 2.403) 4.906 4.672 ( -1.649 5.245 -1.373) 5.667 4.695 ( 0.250 10.636 -1.567) 10.754 4.769 ( 1.979 3.409 3.934) 5.569 4.875 ( 1.610 0.724 1.274) 2.177 4.962 ( -7.363 3.674 2.017) 8.472 4.992 ( -0.100 1.798 7.597) 7.808 5.125 ( 0.412 1.294 6.456) 6.597 5.159 ( 2.956 -2.296 0.384) 3.763 5.384 ( 3.758 0.558 -3.082) 4.892 5.443 ( -8.370 -2.507 1.928) 8.948 5.597 ( 0.237 1.988 -2.005) 2.834 5.664 ( -6.934 -0.481 -10.632) 12.702 5.741 ( 3.218 0.658 -6.693) 7.456 5.800 ( -0.788 3.589 -0.388) 3.695 5.940 ( 2.934 -1.969 6.210) 7.145 6.211 ( 8.233 -2.674 8.782) 12.331 6.300 ( -3.554 -1.207 -6.771) 7.741 6.444 ( -0.973 -4.631 0.281) 4.740 6.692 ( 2.497 -9.371 -15.786) 18.527 6.774 ( 5.201 -7.694 6.892) 11.565 7.080 ( 2.905 -18.517 6.691) 19.902 7.230 ( 0.194 -6.513 3.098) 7.214 7.660 ( 0.986 -13.845 -2.231) 14.058 7.883 ( 5.445 1.097 -5.694) 7.955 8.214 ( -2.925 -12.453 -15.432) 20.045 8.809 ( -1.639 -4.185 26.740) 27.115 9.649 ( 2.175 -5.461 -5.389) 7.975 9.849 ( -0.019 13.961 2.336) 14.155 10.084 ( 3.628 -8.378 -1.071) 9.192 10.428 ( -7.301 -9.743 4.649) 13.032 10.529 ( -6.046 10.834 -3.414) 12.868 11.072 ( -1.143 24.993 -0.132) 25.020 12.315 ( 0.025 -14.253 -0.033) 14.253 13.168 ( -0.097 -12.511 0.476) 12.521 13.256 ( -0.241 -7.834 0.395) 7.848 13.756 ( 0.023 9.333 -1.693) 9.485 13.944 ( 0.392 11.771 0.567) 11.791 14.124 ( -0.206 1.934 -0.009) 1.945 ======================= Grid point 73 (30/77) ======================= q-point: (-0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -10.773 11.900 -1.971) 16.172 1.088 ( -7.772 19.815 3.460) 21.564 1.357 ( 6.412 14.286 6.524) 16.964 1.429 ( 8.034 7.930 -0.057) 11.289 1.515 ( 2.447 18.602 2.907) 18.987 1.600 ( 2.287 16.678 -0.767) 16.852 1.731 ( -0.281 6.473 5.153) 8.279 1.770 ( -1.909 6.763 2.895) 7.600 1.848 ( -5.169 12.357 -5.323) 14.414 1.955 ( -9.375 9.250 4.435) 13.897 2.121 ( -8.390 11.745 -9.382) 17.215 2.197 ( -0.070 9.626 0.632) 9.647 2.464 ( -1.630 0.826 -0.767) 1.981 2.565 ( -1.610 8.733 0.146) 8.881 2.648 ( -2.753 6.839 -5.428) 9.155 2.707 ( 0.347 9.656 3.242) 10.191 2.861 ( 1.816 9.106 -0.251) 9.289 3.080 ( 0.757 12.056 -2.877) 12.418 3.178 ( -14.479 2.415 12.319) 19.163 3.264 ( 5.580 -3.753 -3.294) 7.488 3.406 ( 8.323 -1.467 3.928) 9.319 3.518 ( -1.925 -3.715 -1.557) 4.464 3.582 ( 1.059 -3.421 -0.842) 3.679 3.665 ( 1.440 3.000 -3.267) 4.664 3.742 ( 4.138 7.702 0.081) 8.744 3.776 ( 0.950 1.850 -1.407) 2.512 3.891 ( -1.028 4.360 5.277) 6.922 3.925 ( 0.697 2.280 -1.550) 2.843 4.002 ( -3.648 2.813 0.781) 4.672 4.149 ( 7.086 7.885 -5.842) 12.104 4.276 ( 1.342 4.656 -9.723) 10.864 4.408 ( -1.292 2.676 1.005) 3.137 4.559 ( -0.171 2.997 2.799) 4.105 4.644 ( 0.532 4.224 -0.335) 4.270 4.681 ( 1.416 7.590 -0.269) 7.726 4.687 ( -0.488 8.841 -0.307) 8.860 4.848 ( -2.578 1.989 1.215) 3.475 4.850 ( -1.427 2.220 7.882) 8.312 4.954 ( 6.631 1.711 1.995) 7.133 5.038 ( 0.644 0.467 6.747) 6.793 5.095 ( -6.816 -1.158 -2.246) 7.269 5.242 ( 2.220 0.487 7.352) 7.695 5.313 ( -1.011 -0.959 -2.591) 2.942 5.448 ( 4.947 0.024 -0.048) 4.948 5.582 ( 1.428 -0.663 -7.278) 7.447 5.595 ( -0.248 2.263 -1.681) 2.830 5.758 ( 1.800 4.574 -7.907) 9.310 5.801 ( 3.008 1.187 0.157) 3.237 6.002 ( 0.076 -1.675 6.779) 6.983 6.168 ( -4.634 -2.187 -8.498) 9.923 6.372 ( -0.661 -2.965 3.617) 4.724 6.428 ( 0.578 -4.024 4.268) 5.894 6.649 ( 3.297 -10.154 -11.662) 15.811 6.896 ( 0.199 -12.748 4.891) 13.656 7.161 ( 0.333 -19.061 7.823) 20.606 7.244 ( -0.690 -7.206 2.837) 7.775 7.620 ( -4.334 -15.461 -5.677) 17.031 7.933 ( -6.788 -5.606 -9.664) 13.073 7.980 ( 0.585 4.001 -8.592) 9.496 8.947 ( -0.416 -15.098 22.906) 27.437 9.695 ( 4.719 -6.534 -5.232) 9.610 9.863 ( 0.740 13.103 0.643) 13.140 10.193 ( 5.344 -4.030 8.735) 11.005 10.194 ( -9.524 -1.382 -5.088) 10.886 10.539 ( 3.845 7.126 -1.766) 8.288 11.072 ( 1.286 25.193 -0.127) 25.227 12.315 ( -0.045 -14.259 -0.033) 14.260 13.169 ( -0.029 -12.591 0.472) 12.600 13.258 ( 0.224 -7.711 0.450) 7.727 13.744 ( -0.208 9.222 -1.679) 9.376 13.945 ( -0.553 11.732 0.502) 11.755 14.123 ( 0.061 2.015 0.008) 2.016 ======================= Grid point 74 (31/77) ======================= q-point: (-0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( -21.408 16.017 -9.293) 28.305 0.953 ( -9.966 22.694 12.139) 27.598 1.353 ( -16.217 16.311 13.987) 26.919 1.471 ( 1.186 18.338 2.720) 18.576 1.552 ( -0.571 11.649 1.904) 11.817 1.619 ( 3.145 11.523 -3.184) 12.362 1.700 ( -3.986 12.225 -1.682) 12.968 1.815 ( 5.910 11.067 -4.637) 13.375 1.841 ( 3.077 5.737 -1.394) 6.657 1.947 ( 5.153 9.088 8.457) 13.441 2.022 ( -0.034 7.826 -2.151) 8.116 2.203 ( 0.098 12.133 -0.658) 12.152 2.419 ( -2.550 0.824 0.166) 2.684 2.467 ( -8.861 6.472 0.215) 10.975 2.567 ( -1.145 6.441 -4.619) 8.008 2.733 ( 0.449 9.959 4.513) 10.943 2.806 ( -5.036 9.277 -6.017) 12.150 2.932 ( -8.822 4.061 0.297) 9.716 3.078 ( 0.472 11.758 -2.563) 12.043 3.161 ( -3.475 0.800 -6.093) 7.059 3.365 ( -4.741 1.730 -4.407) 6.700 3.571 ( 1.491 -3.043 -3.614) 4.954 3.608 ( 3.480 -2.760 1.451) 4.673 3.676 ( 0.358 5.423 -0.507) 5.459 3.833 ( 1.636 0.164 1.629) 2.314 3.866 ( 2.313 1.676 -0.093) 2.858 3.953 ( 2.590 4.943 -1.363) 5.745 4.005 ( 4.929 3.907 11.108) 12.765 4.045 ( 3.128 4.501 6.123) 8.218 4.261 ( 5.435 10.165 0.091) 11.528 4.310 ( 4.579 4.215 -4.220) 7.520 4.470 ( 8.036 3.659 4.323) 9.832 4.585 ( 1.239 -0.284 1.803) 2.206 4.655 ( -0.013 4.403 0.661) 4.452 4.663 ( -0.110 6.874 -0.290) 6.881 4.714 ( -0.403 5.349 -0.981) 5.454 4.811 ( -1.505 6.625 3.171) 7.498 4.840 ( -4.171 1.192 -3.728) 5.720 4.938 ( -0.695 1.839 -3.030) 3.612 5.012 ( 0.517 -1.481 -0.592) 1.676 5.166 ( 3.560 1.483 1.361) 4.089 5.307 ( 3.533 -0.296 -0.742) 3.623 5.343 ( 4.276 0.648 9.678) 10.600 5.538 ( -1.210 0.933 2.475) 2.909 5.560 ( 0.641 1.393 -0.169) 1.542 5.610 ( 2.993 -1.724 -9.292) 9.913 5.779 ( 4.429 3.729 -2.856) 6.456 5.878 ( -1.327 -0.074 5.321) 5.485 6.002 ( -2.743 -0.060 0.661) 2.822 6.067 ( 0.485 -5.214 -5.967) 7.939 6.353 ( 0.889 -4.091 -0.424) 4.208 6.397 ( -4.809 -5.334 -0.674) 7.213 6.721 ( -7.036 -15.503 -13.016) 21.430 6.737 ( -1.000 -8.733 -0.164) 8.792 7.143 ( -5.501 -17.742 5.129) 19.270 7.223 ( -2.541 -7.392 2.742) 8.284 7.384 ( -12.757 -11.100 -0.630) 16.922 7.777 ( -2.192 -3.570 -1.659) 4.506 8.027 ( 3.235 5.604 -7.135) 9.632 8.999 ( -4.887 -26.391 18.793) 32.766 9.756 ( 3.436 -4.451 -4.587) 7.257 9.877 ( 0.255 4.978 -4.103) 6.456 9.992 ( -4.963 -3.836 -6.032) 8.702 10.473 ( 10.971 9.333 11.662) 18.533 10.636 ( 7.561 -2.616 4.308) 9.087 11.132 ( 5.370 29.302 -0.990) 29.806 12.314 ( -0.047 -14.292 0.003) 14.292 13.172 ( 0.153 -12.892 0.201) 12.894 13.271 ( 0.604 -7.076 0.962) 7.167 13.735 ( 0.378 9.327 -1.820) 9.511 13.932 ( -0.822 11.822 0.569) 11.864 14.125 ( 0.202 2.219 0.105) 2.231 ======================= Grid point 75 (32/77) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 6.295 14.828 10.777) 19.382 1.225 ( -3.528 20.502 8.736) 22.563 1.483 ( -11.362 3.379 -15.303) 19.357 1.645 ( 0.655 14.368 -4.293) 15.010 1.739 ( 0.390 8.858 -1.779) 9.044 1.898 ( -0.765 14.586 1.811) 14.717 1.986 ( 0.554 14.068 -6.481) 15.499 2.110 ( 2.167 5.260 7.146) 9.134 2.158 ( 2.340 19.711 4.650) 20.387 2.323 ( 0.762 12.989 5.534) 14.139 2.425 ( -3.373 11.628 4.854) 13.044 2.432 ( -2.871 12.721 -2.502) 13.279 2.495 ( 4.879 20.913 5.055) 22.062 2.565 ( 0.107 15.624 0.393) 15.630 2.686 ( -0.132 10.208 -2.379) 10.482 2.905 ( 0.321 8.075 0.230) 8.085 3.012 ( -0.962 11.722 -0.482) 11.772 3.039 ( 3.593 9.986 -2.277) 10.854 3.201 ( -0.086 6.261 -0.406) 6.274 3.288 ( 1.708 6.424 -6.325) 9.175 3.493 ( 0.344 12.318 -2.795) 12.636 3.570 ( 1.201 1.189 -2.798) 3.269 3.650 ( 1.445 0.591 0.054) 1.562 3.781 ( -0.942 5.256 -1.963) 5.689 3.858 ( -4.243 3.549 5.368) 7.708 3.970 ( 1.166 5.057 0.441) 5.208 4.049 ( -1.701 4.309 -0.187) 4.636 4.238 ( 4.049 10.454 -4.667) 12.144 4.282 ( -2.781 10.034 8.570) 13.485 4.432 ( -1.709 4.340 -1.190) 4.813 4.555 ( 0.223 -0.636 -1.617) 1.752 4.583 ( 0.110 7.978 2.447) 8.345 4.613 ( -2.507 5.520 -3.222) 6.865 4.708 ( -1.272 2.753 -2.403) 3.869 4.755 ( 4.005 0.715 0.946) 4.177 4.816 ( 3.258 2.988 -0.450) 4.443 4.845 ( -0.630 2.399 -1.033) 2.687 4.974 ( -1.582 9.853 0.998) 10.029 4.998 ( -1.287 7.956 3.987) 8.992 5.057 ( 4.414 -1.664 0.295) 4.726 5.308 ( -1.983 2.784 -2.542) 4.260 5.325 ( -6.751 6.518 -0.552) 9.400 5.446 ( 5.460 3.890 -5.885) 8.920 5.530 ( 1.084 -0.156 1.234) 1.650 5.592 ( -10.784 3.791 1.241) 11.498 5.616 ( 4.879 -4.923 0.093) 6.932 5.711 ( 2.003 0.947 -6.186) 6.570 5.787 ( -1.160 -1.139 -1.235) 2.042 5.884 ( -0.609 1.333 2.338) 2.759 6.006 ( 0.488 -4.204 4.642) 6.282 6.167 ( 0.944 -9.682 4.494) 10.716 6.277 ( -0.271 -7.530 0.726) 7.570 6.521 ( 1.287 -9.994 -3.636) 10.713 6.642 ( 6.110 -11.439 -0.109) 12.969 6.725 ( -2.712 -8.953 -0.631) 9.376 6.978 ( 0.628 -11.765 2.747) 12.098 7.069 ( -1.980 -7.605 2.286) 8.184 7.666 ( 1.866 -5.179 -1.208) 5.636 7.993 ( 0.303 -8.208 -4.212) 9.230 8.463 ( -2.585 -23.716 9.488) 25.674 9.523 ( 2.026 -20.211 -0.012) 20.313 9.576 ( -1.712 -16.421 -4.179) 17.031 10.131 ( 0.076 9.318 0.695) 9.344 10.723 ( -1.705 9.606 3.820) 10.477 10.842 ( 1.074 10.275 -0.732) 10.357 11.768 ( -0.271 24.143 -3.606) 24.412 11.981 ( 0.068 -13.835 0.124) 13.836 12.934 ( 0.077 -8.981 -0.276) 8.986 13.127 ( -1.344 -7.543 4.339) 8.806 13.898 ( 2.033 4.888 -4.977) 7.266 14.103 ( -0.513 2.993 2.812) 4.139 14.190 ( -0.206 4.534 -0.310) 4.550 ======================= Grid point 76 (33/77) ======================= q-point: ( 0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 9.344 14.677 9.403) 19.777 1.243 ( 0.610 11.143 -13.036) 17.160 1.372 ( 11.102 13.545 8.288) 19.376 1.675 ( 2.568 10.778 -4.965) 12.142 1.732 ( 1.838 11.192 0.096) 11.342 1.863 ( -2.525 13.746 3.574) 14.426 1.972 ( 0.616 12.531 -5.230) 13.593 2.189 ( 0.083 7.444 7.893) 10.850 2.224 ( -7.522 13.770 1.692) 15.782 2.250 ( 1.980 14.674 3.476) 15.210 2.394 ( 2.696 16.287 -2.527) 16.701 2.445 ( 1.203 18.329 4.640) 18.946 2.579 ( 1.531 13.799 -1.425) 13.957 2.618 ( 5.773 13.201 -0.726) 14.426 2.789 ( 8.359 15.633 5.878) 18.677 2.888 ( -0.982 12.228 -5.567) 13.471 3.018 ( -1.255 9.255 5.597) 10.888 3.114 ( -2.142 3.603 -7.009) 8.166 3.255 ( 12.332 3.478 -1.220) 12.871 3.285 ( 2.003 6.745 -6.982) 9.913 3.470 ( -2.694 11.054 -4.184) 12.122 3.547 ( 0.499 8.639 -0.707) 8.683 3.647 ( -2.792 -0.849 2.609) 3.915 3.739 ( -3.569 2.926 1.069) 4.737 3.754 ( -6.251 3.688 2.597) 7.709 3.967 ( -3.067 4.923 -1.292) 5.943 3.990 ( -1.555 5.489 0.384) 5.718 4.205 ( -6.570 9.686 5.736) 13.034 4.248 ( -0.620 11.867 -4.984) 12.886 4.411 ( 0.210 2.393 1.746) 2.970 4.515 ( -1.333 5.934 2.096) 6.433 4.541 ( -1.090 2.479 -3.260) 4.238 4.601 ( -3.484 1.065 -1.811) 4.068 4.711 ( 2.327 4.348 1.434) 5.136 4.790 ( -2.971 2.454 -0.742) 3.924 4.835 ( 0.408 1.526 -3.056) 3.440 4.910 ( 4.211 2.329 -1.968) 5.199 4.951 ( -2.208 12.158 3.163) 12.756 5.010 ( 3.330 3.961 -1.074) 5.285 5.080 ( -4.197 4.109 1.755) 6.130 5.126 ( -2.764 0.709 4.868) 5.642 5.290 ( -7.414 6.396 2.209) 10.038 5.388 ( -1.527 5.420 -2.651) 6.223 5.520 ( -2.290 0.453 -0.113) 2.337 5.574 ( 5.676 1.164 -1.477) 5.980 5.664 ( 3.414 -2.282 1.226) 4.285 5.782 ( -0.530 -3.006 -1.295) 3.315 5.810 ( -1.352 -3.475 -0.145) 3.731 5.901 ( 2.931 5.810 -2.353) 6.920 6.008 ( -0.125 -5.045 1.183) 5.184 6.247 ( 4.900 -9.522 -0.425) 10.717 6.295 ( 2.414 -7.511 1.601) 8.050 6.492 ( -1.434 -5.783 -4.359) 7.382 6.570 ( -3.670 -10.223 -2.273) 11.097 6.716 ( -1.153 -12.649 4.000) 13.317 7.065 ( 0.459 -7.279 1.828) 7.519 7.193 ( 11.484 -17.050 -0.173) 20.558 7.731 ( 5.186 -4.632 -2.327) 7.333 7.979 ( 0.685 -10.715 -3.897) 11.423 8.493 ( 0.044 -21.633 9.806) 23.752 9.486 ( -1.748 -15.133 -3.581) 15.649 9.627 ( 4.487 -20.859 0.193) 21.337 10.131 ( -0.418 8.844 0.507) 8.869 10.620 ( -8.257 13.196 2.887) 15.831 10.849 ( -0.656 10.454 -0.350) 10.481 11.710 ( -3.012 26.799 -1.728) 27.023 11.979 ( -0.181 -14.594 -0.084) 14.596 12.934 ( 0.062 -9.060 -0.241) 9.063 13.113 ( -1.833 -7.322 3.572) 8.350 13.907 ( 1.308 4.694 -4.542) 6.661 14.120 ( 0.622 3.027 2.768) 4.149 14.177 ( -0.823 4.537 -0.468) 4.635 ======================= Grid point 77 (34/77) ======================= q-point: ( 0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 8.385 13.365 -5.965) 16.868 1.335 ( 6.963 15.784 3.747) 17.654 1.576 ( 3.001 15.132 3.382) 15.793 1.670 ( -1.377 13.347 4.383) 14.116 1.771 ( -5.422 10.847 3.936) 12.749 1.873 ( 3.592 8.700 -5.930) 11.125 1.973 ( 2.596 11.316 1.603) 11.721 2.083 ( -4.123 17.471 -3.166) 18.228 2.208 ( -1.906 13.656 0.070) 13.788 2.260 ( -0.664 10.688 6.017) 12.283 2.453 ( 0.739 13.242 1.579) 13.356 2.577 ( 3.551 12.285 -0.653) 12.804 2.607 ( 4.583 10.958 -0.287) 11.881 2.741 ( 3.391 14.088 0.750) 14.510 2.823 ( 0.738 11.534 -2.991) 11.938 2.924 ( -6.554 10.761 -2.948) 12.940 3.012 ( 6.827 15.443 7.631) 18.530 3.064 ( 2.586 7.392 1.099) 7.908 3.292 ( 1.174 5.234 -2.619) 5.969 3.401 ( -0.492 11.774 0.365) 11.789 3.484 ( 3.777 -0.524 -4.181) 5.659 3.507 ( -8.505 0.394 5.270) 10.013 3.593 ( -0.099 9.458 1.220) 9.537 3.684 ( -0.315 1.533 -3.110) 3.482 3.736 ( 7.485 2.330 -5.107) 9.356 3.885 ( -3.144 4.781 1.329) 5.875 3.977 ( -0.583 4.371 -1.580) 4.685 4.096 ( -6.329 7.511 2.108) 10.046 4.206 ( -3.272 9.475 -1.068) 10.081 4.336 ( -5.457 5.697 -9.365) 12.245 4.441 ( 0.548 6.605 -2.751) 7.176 4.524 ( -2.350 6.338 1.761) 6.985 4.624 ( 3.246 0.974 3.396) 4.797 4.715 ( -0.587 4.426 -1.926) 4.862 4.740 ( -0.971 2.888 -1.160) 3.260 4.839 ( 0.415 0.864 1.682) 1.936 4.906 ( 0.390 6.080 -2.662) 6.649 4.951 ( 1.599 10.092 2.117) 10.435 5.052 ( -2.272 2.094 0.557) 3.140 5.063 ( -0.913 4.712 4.334) 6.467 5.129 ( -0.173 1.342 7.017) 7.147 5.204 ( -1.949 7.478 5.702) 9.604 5.378 ( -5.163 -2.185 1.318) 5.759 5.429 ( -1.391 2.462 -2.825) 3.997 5.610 ( -1.053 -0.418 -4.456) 4.598 5.643 ( -0.166 -0.239 -9.638) 9.643 5.722 ( 1.743 -1.159 0.601) 2.178 5.876 ( 2.836 -1.704 2.745) 4.299 5.911 ( -1.006 1.999 0.261) 2.253 6.125 ( 8.120 -5.300 4.280) 10.599 6.302 ( -2.282 2.322 -3.974) 5.137 6.310 ( 0.032 -7.955 0.794) 7.994 6.456 ( 0.750 -11.067 -5.810) 12.522 6.574 ( 2.185 -10.167 4.460) 11.315 6.716 ( -0.318 -15.803 4.735) 16.500 7.095 ( 1.251 -6.188 1.052) 6.400 7.321 ( 2.420 -17.430 -2.387) 17.759 7.818 ( 3.952 -6.237 -3.750) 8.281 7.954 ( -0.917 -12.131 -7.169) 14.120 8.552 ( -0.378 -20.673 11.512) 23.665 9.449 ( 0.189 -13.965 -4.299) 14.613 9.714 ( 2.864 -24.264 2.770) 24.589 10.119 ( -0.826 7.905 0.020) 7.948 10.486 ( -4.855 18.754 1.578) 19.437 10.825 ( -0.940 13.253 -0.514) 13.297 11.658 ( -1.207 28.783 -0.350) 28.811 11.976 ( -0.035 -15.467 -0.277) 15.469 12.934 ( 0.041 -9.154 -0.177) 9.156 13.098 ( -1.162 -7.653 2.640) 8.179 13.903 ( 0.538 4.585 -3.949) 6.075 14.143 ( -0.049 -0.653 0.089) 0.661 14.163 ( -0.033 8.474 1.781) 8.659 ======================= Grid point 78 (35/77) ======================= q-point: (-0.40 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -7.953 15.284 -5.342) 18.038 1.434 ( -3.415 14.360 4.066) 15.311 1.624 ( 3.849 8.452 0.546) 9.303 1.654 ( 1.779 12.428 1.858) 12.692 1.747 ( 1.055 10.386 4.585) 11.402 1.878 ( 0.412 10.686 1.838) 10.851 1.983 ( -3.339 12.111 0.828) 12.590 2.021 ( -0.293 14.764 -3.595) 15.198 2.153 ( -2.300 13.286 -1.835) 13.608 2.300 ( 0.016 20.983 5.679) 21.738 2.467 ( -0.465 13.264 3.026) 13.613 2.489 ( -8.825 22.795 3.073) 24.636 2.561 ( -1.273 10.220 -5.030) 11.461 2.750 ( -6.367 7.663 -5.615) 11.437 2.793 ( -1.412 10.153 -2.095) 10.463 2.937 ( 1.228 11.012 7.509) 13.385 3.130 ( 3.755 11.190 -2.608) 12.088 3.142 ( -2.821 -0.320 2.378) 3.703 3.272 ( -3.225 6.688 4.803) 8.843 3.411 ( -5.865 2.564 -5.440) 8.400 3.415 ( 3.884 8.870 1.239) 9.762 3.458 ( 3.073 1.779 1.329) 3.792 3.569 ( -1.283 3.825 -2.087) 4.543 3.738 ( 4.959 4.992 -4.417) 8.308 3.857 ( 0.596 4.283 2.642) 5.068 3.896 ( 5.190 7.458 -1.540) 9.216 3.970 ( 2.576 3.158 -2.361) 4.710 4.025 ( 1.468 7.684 1.541) 7.973 4.095 ( -1.981 5.904 -1.026) 6.311 4.335 ( 4.868 9.057 -4.239) 11.122 4.436 ( 2.052 10.861 -6.105) 12.627 4.514 ( 1.778 7.661 0.184) 7.867 4.638 ( -2.161 2.762 -2.163) 4.120 4.694 ( -0.777 0.556 2.663) 2.830 4.776 ( 2.381 2.304 0.823) 3.414 4.863 ( -2.286 3.431 3.428) 5.362 4.895 ( 0.207 4.789 -3.000) 5.655 4.999 ( 2.414 7.917 2.944) 8.785 5.008 ( -0.726 3.417 1.629) 3.854 5.079 ( -2.792 4.013 8.071) 9.436 5.104 ( -1.044 5.328 0.390) 5.443 5.262 ( 0.127 2.302 2.240) 3.215 5.307 ( 3.254 0.776 2.104) 3.952 5.450 ( 3.891 -0.319 -1.261) 4.103 5.579 ( 0.030 -0.303 -4.737) 4.746 5.621 ( 0.988 2.778 -5.722) 6.437 5.781 ( 4.577 -0.693 -0.556) 4.663 5.875 ( -1.534 2.248 -0.157) 2.726 5.937 ( 0.833 -4.809 3.059) 5.760 6.155 ( -5.913 1.184 -4.728) 7.663 6.258 ( -4.553 -7.251 3.936) 9.424 6.339 ( 6.644 -7.594 1.867) 10.262 6.425 ( -1.494 -5.128 -5.602) 7.740 6.595 ( -3.482 -15.128 3.002) 15.811 6.760 ( 0.700 -17.815 5.040) 18.528 7.106 ( -0.989 -6.106 0.970) 6.261 7.292 ( -3.521 -15.275 -3.452) 16.051 7.779 ( -5.491 -8.625 -3.700) 10.874 7.938 ( 4.016 -6.898 -6.746) 10.451 8.567 ( -4.371 -22.700 11.015) 25.607 9.447 ( 1.629 -15.532 -3.872) 16.090 9.742 ( -2.051 -26.031 2.377) 26.219 10.109 ( 0.119 8.423 0.073) 8.424 10.480 ( 3.732 21.308 1.674) 21.697 10.820 ( 0.741 13.748 -0.567) 13.780 11.667 ( 2.354 29.274 -0.361) 29.371 11.975 ( 0.062 -15.710 -0.269) 15.712 12.933 ( 0.041 -9.147 -0.174) 9.149 13.098 ( -0.171 -7.877 2.697) 8.328 13.891 ( 0.463 4.679 -3.856) 6.080 14.126 ( -1.114 1.696 0.429) 2.074 14.182 ( 0.435 6.265 1.304) 6.414 ======================= Grid point 79 (36/77) ======================= q-point: (-0.20 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -17.084 17.226 -3.758) 24.550 1.320 ( -9.188 16.285 9.348) 20.905 1.641 ( 0.544 9.714 -7.285) 12.155 1.729 ( -0.137 7.350 0.438) 7.364 1.810 ( 4.604 9.750 8.700) 13.854 1.826 ( -10.534 12.922 -3.041) 16.947 1.998 ( 4.781 10.016 -6.992) 13.117 2.048 ( 3.905 11.889 0.138) 12.515 2.122 ( -0.651 11.436 6.095) 12.975 2.245 ( -4.039 27.867 3.954) 28.435 2.414 ( 0.164 23.721 0.143) 23.722 2.485 ( -1.095 11.081 4.820) 12.133 2.493 ( -3.522 8.040 2.181) 9.044 2.617 ( -4.071 7.566 -3.126) 9.143 2.733 ( -2.328 12.457 -3.121) 13.051 2.935 ( -4.212 8.015 7.229) 11.586 3.039 ( -3.358 6.528 0.619) 7.367 3.100 ( -5.018 15.696 -5.175) 17.272 3.222 ( -2.564 4.981 -2.404) 6.096 3.281 ( 1.091 6.017 -5.743) 8.390 3.496 ( 2.032 11.106 -3.511) 11.824 3.535 ( 1.478 -0.373 -0.045) 1.525 3.585 ( 4.902 1.405 -0.850) 5.170 3.789 ( 1.904 5.677 -3.350) 6.861 3.876 ( -0.543 4.067 4.082) 5.788 3.937 ( 0.521 4.888 2.054) 5.328 4.032 ( 3.002 3.170 0.593) 4.407 4.148 ( 6.700 9.691 -4.254) 12.526 4.208 ( 6.522 9.449 9.548) 14.932 4.432 ( 7.118 6.863 0.616) 9.907 4.454 ( 1.884 9.804 -5.251) 11.280 4.575 ( -2.055 -0.711 -0.631) 2.264 4.610 ( 6.713 7.976 -0.665) 10.447 4.692 ( 0.124 -0.177 -0.383) 0.440 4.774 ( -2.497 1.856 0.483) 3.149 4.822 ( -1.571 5.729 -2.568) 6.472 4.917 ( -4.424 4.343 -0.362) 6.210 4.945 ( 2.353 1.456 0.395) 2.795 5.005 ( -2.270 5.430 2.757) 6.499 5.026 ( -1.300 8.285 1.235) 8.477 5.232 ( 5.881 4.789 -0.219) 7.588 5.338 ( 6.650 3.217 4.192) 8.494 5.365 ( 2.270 2.132 2.697) 4.120 5.527 ( 0.637 -1.689 -2.598) 3.163 5.550 ( 0.259 -2.836 -4.354) 5.203 5.642 ( 1.906 5.268 0.772) 5.655 5.839 ( -0.471 0.532 -0.270) 0.760 5.855 ( -3.073 -2.153 1.354) 3.989 5.943 ( 0.178 -4.719 -3.167) 5.686 6.001 ( -6.605 -0.428 -0.884) 6.677 6.197 ( -3.243 -9.538 3.528) 10.674 6.310 ( -6.866 -3.363 -1.247) 7.747 6.466 ( 5.016 -11.590 -0.002) 12.629 6.516 ( 0.774 -8.569 -4.321) 9.627 6.762 ( -1.893 -17.302 2.360) 17.564 7.067 ( -3.521 -7.316 1.387) 8.237 7.158 ( -7.939 -10.363 0.302) 13.058 7.675 ( -2.328 -6.242 -1.487) 6.826 7.986 ( 3.002 -7.717 -4.910) 9.627 8.506 ( -6.209 -23.815 9.951) 26.547 9.473 ( 2.636 -17.803 -2.447) 18.163 9.668 ( -4.620 -21.316 -1.179) 21.842 10.121 ( 0.534 8.962 0.719) 9.006 10.624 ( 7.488 13.953 3.278) 16.171 10.836 ( 0.646 12.449 -0.608) 12.480 11.737 ( 4.209 27.012 -1.895) 27.404 11.976 ( 0.216 -15.057 -0.009) 15.059 12.933 ( 0.067 -9.046 -0.238) 9.049 13.117 ( 0.067 -7.838 3.783) 8.704 13.887 ( 1.305 4.895 -4.329) 6.664 14.109 ( -1.100 2.445 1.695) 3.172 14.190 ( 0.073 5.445 0.289) 5.453 ======================= Grid point 80 (37/77) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 2.016 14.709 5.757) 15.923 1.544 ( -7.352 4.058 -11.525) 14.260 1.635 ( -1.340 16.447 2.110) 16.635 1.868 ( 4.050 2.609 0.383) 4.832 1.910 ( -0.037 12.509 -5.895) 13.829 2.136 ( -2.760 8.499 -0.406) 8.945 2.221 ( 1.823 9.666 5.798) 11.418 2.316 ( -2.479 14.207 -0.138) 14.423 2.388 ( 1.956 7.121 4.402) 8.597 2.502 ( -1.856 8.050 5.924) 10.166 2.674 ( 1.983 7.884 -5.633) 9.890 2.743 ( 2.354 15.059 3.243) 15.583 2.870 ( 3.720 13.287 -3.295) 14.186 2.909 ( -4.833 11.219 -0.180) 12.217 2.970 ( 1.826 19.819 6.380) 20.900 3.021 ( 0.397 6.675 6.889) 9.601 3.246 ( 0.328 8.909 4.222) 9.864 3.304 ( -3.217 11.544 -4.033) 12.644 3.329 ( -0.015 6.947 -2.676) 7.445 3.385 ( 2.845 5.119 -6.774) 8.955 3.610 ( 2.604 3.288 0.192) 4.198 3.685 ( 0.370 4.211 -1.780) 4.587 3.764 ( 0.147 11.068 2.601) 11.370 3.904 ( -1.320 6.153 -8.518) 10.591 3.933 ( -3.566 2.262 6.816) 8.018 4.060 ( 0.811 4.417 1.033) 4.608 4.162 ( 0.367 6.313 -2.531) 6.812 4.362 ( 1.547 2.048 -0.234) 2.577 4.466 ( -1.310 -1.816 -4.477) 5.006 4.496 ( -4.039 8.366 6.154) 11.143 4.581 ( 0.251 1.982 -3.600) 4.117 4.687 ( 1.084 3.326 -1.730) 3.903 4.710 ( 0.346 -2.354 1.296) 2.710 4.736 ( 2.390 2.829 -1.061) 3.852 4.831 ( 0.562 4.786 -0.653) 4.863 4.861 ( 2.145 2.634 -1.141) 3.584 4.911 ( -1.930 3.764 -1.534) 4.499 5.027 ( 0.483 2.607 -1.721) 3.161 5.149 ( 1.861 8.770 -0.742) 8.996 5.268 ( -1.173 6.253 -0.782) 6.410 5.329 ( -5.605 4.403 0.533) 7.147 5.446 ( 3.537 1.038 2.368) 4.381 5.496 ( 0.748 -2.984 1.448) 3.400 5.511 ( -1.443 -5.003 3.522) 6.286 5.536 ( 2.738 7.861 -0.560) 8.343 5.679 ( -5.511 4.286 -1.767) 7.202 5.744 ( 3.302 2.057 -1.996) 4.372 5.806 ( -2.601 1.700 2.841) 4.210 5.843 ( -1.013 -3.085 0.143) 3.250 5.961 ( 2.653 -4.509 -0.273) 5.239 6.053 ( 0.491 -2.062 -3.460) 4.058 6.150 ( -0.820 0.643 7.537) 7.608 6.335 ( 0.390 -6.691 0.891) 6.761 6.428 ( 0.213 -5.005 0.393) 5.025 6.607 ( 4.227 -3.020 -2.602) 5.811 6.774 ( -3.995 -6.217 -2.917) 7.944 6.983 ( -0.914 -1.755 1.848) 2.707 7.524 ( 2.917 -9.662 0.153) 10.093 7.789 ( -0.682 -9.558 -2.008) 9.791 7.991 ( -1.009 -20.465 3.625) 20.808 9.106 ( 0.790 -19.765 0.520) 19.788 9.178 ( -0.618 -19.637 -0.642) 19.658 10.269 ( -0.199 4.350 0.860) 4.439 10.892 ( 0.186 -7.492 0.792) 7.536 11.020 ( -0.091 15.366 -1.941) 15.488 11.811 ( 0.078 1.622 -0.741) 1.785 12.264 ( 0.276 20.750 -2.323) 20.881 12.839 ( -0.101 0.259 -0.525) 0.594 12.974 ( -1.457 -6.597 6.527) 9.394 13.946 ( 2.008 0.018 -5.540) 5.893 14.064 ( -0.194 -5.326 1.021) 5.426 14.274 ( -0.782 1.945 1.698) 2.698 ======================= Grid point 81 (38/77) ======================= q-point: ( 0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 15.786 11.169 6.211) 20.310 1.446 ( 3.597 9.113 -7.395) 12.275 1.690 ( 5.127 15.056 3.246) 16.233 1.890 ( -0.111 10.179 -4.182) 11.005 1.940 ( 4.263 7.880 -4.650) 10.094 2.099 ( -0.864 9.798 3.098) 10.313 2.224 ( -3.416 9.966 1.221) 10.605 2.335 ( 2.379 10.745 4.783) 12.000 2.417 ( 0.535 8.503 -0.908) 8.568 2.503 ( -1.127 10.656 5.669) 12.122 2.708 ( -1.598 9.632 -6.893) 11.951 2.776 ( 2.024 11.461 3.332) 12.106 2.837 ( 2.140 11.918 -2.201) 12.307 2.919 ( 0.593 15.246 2.218) 15.417 3.085 ( 2.763 3.939 4.665) 6.702 3.133 ( 6.377 14.711 6.124) 17.164 3.222 ( -1.031 13.800 -0.482) 13.847 3.262 ( 0.676 3.720 -1.484) 4.062 3.297 ( -0.511 8.121 -1.603) 8.294 3.441 ( 4.893 5.672 -6.279) 9.774 3.641 ( -0.154 5.121 -1.136) 5.248 3.675 ( 1.092 3.806 -2.337) 4.598 3.731 ( -6.548 9.979 4.525) 12.765 3.817 ( -3.255 3.858 -6.958) 8.597 3.879 ( -2.991 6.522 3.872) 8.153 4.078 ( 0.588 6.117 -0.977) 6.222 4.105 ( -3.418 6.546 -0.787) 7.426 4.379 ( -7.573 4.510 4.990) 10.129 4.398 ( 1.601 0.771 0.394) 1.820 4.452 ( -0.464 3.846 -1.613) 4.196 4.561 ( -4.389 3.030 -2.598) 5.932 4.609 ( -0.379 -0.370 0.516) 0.739 4.713 ( -1.356 2.903 -1.335) 3.471 4.781 ( -0.631 5.568 -2.231) 6.032 4.848 ( 1.666 0.407 -0.309) 1.742 4.872 ( 1.365 1.054 -1.188) 2.094 4.918 ( 1.531 2.071 -1.664) 3.066 5.014 ( -1.357 -2.358 -0.991) 2.896 5.164 ( -0.302 9.769 -1.384) 9.871 5.178 ( -4.020 3.377 -1.919) 5.590 5.284 ( 0.249 10.910 2.889) 11.289 5.417 ( -3.550 3.014 2.576) 5.322 5.440 ( -3.862 0.376 0.497) 3.912 5.550 ( -0.699 2.067 5.619) 6.028 5.617 ( -0.494 -0.781 -2.777) 2.927 5.668 ( 6.349 4.747 -1.810) 8.132 5.716 ( -6.321 0.494 3.864) 7.425 5.804 ( 1.885 1.311 -1.453) 2.718 5.846 ( 1.059 -3.490 0.493) 3.680 6.001 ( 1.614 -2.918 0.120) 3.337 6.073 ( 4.047 -5.905 -3.843) 8.125 6.261 ( 6.587 6.363 3.218) 9.708 6.346 ( 1.152 -9.701 4.172) 10.622 6.421 ( -1.380 -2.135 -0.623) 2.617 6.543 ( -4.982 -1.074 -1.137) 5.222 6.834 ( 6.543 -11.543 -3.775) 13.794 7.010 ( 2.476 -3.693 0.377) 4.462 7.601 ( 3.546 -9.061 1.146) 9.797 7.760 ( -0.619 -8.870 -2.660) 9.281 8.015 ( 1.214 -22.174 3.466) 22.476 9.113 ( -0.075 -19.333 -0.519) 19.340 9.185 ( 1.268 -20.361 0.314) 20.403 10.263 ( -0.807 4.444 0.832) 4.593 10.898 ( -0.010 -7.673 0.871) 7.723 10.982 ( -2.279 17.487 -1.954) 17.743 11.810 ( 0.219 1.702 -0.647) 1.834 12.242 ( -1.186 22.377 -1.463) 22.456 12.831 ( -0.329 -0.526 -0.418) 0.748 12.967 ( -2.329 -6.137 5.597) 8.627 13.950 ( 1.286 -0.323 -5.456) 5.615 14.072 ( 0.441 -5.478 0.763) 5.549 14.270 ( -0.512 2.204 1.995) 3.017 ======================= Grid point 82 (39/77) ======================= q-point: ( 0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 7.830 10.864 -2.156) 13.564 1.649 ( 5.152 13.058 -0.893) 14.066 1.837 ( -1.530 12.411 -0.670) 12.523 1.890 ( 5.165 6.079 5.848) 9.891 2.042 ( 2.973 10.159 -6.084) 12.209 2.062 ( 0.395 15.896 1.449) 15.966 2.182 ( -1.003 9.980 4.695) 11.075 2.368 ( -2.194 10.901 -4.483) 11.989 2.433 ( 3.057 7.572 8.515) 11.798 2.484 ( -3.349 11.055 2.119) 11.744 2.639 ( 0.975 8.452 -2.269) 8.806 2.832 ( 0.604 13.964 -0.486) 13.986 2.907 ( 2.649 11.125 0.614) 11.453 2.959 ( 3.045 8.657 0.496) 9.190 3.101 ( -5.104 9.923 -1.909) 11.321 3.150 ( -0.164 4.929 2.930) 5.736 3.238 ( 1.180 12.310 -3.344) 12.811 3.291 ( -1.821 8.017 2.992) 8.749 3.349 ( 5.963 4.954 -1.465) 7.889 3.489 ( -0.146 2.911 -2.634) 3.928 3.566 ( -9.534 6.804 4.950) 12.716 3.650 ( 2.254 8.554 0.259) 8.849 3.720 ( -1.550 3.883 -0.096) 4.182 3.751 ( 6.744 4.915 -3.358) 8.995 3.891 ( 4.488 11.159 -4.024) 12.683 4.019 ( -2.636 8.682 1.159) 9.148 4.088 ( -0.912 6.860 -3.039) 7.558 4.237 ( -7.540 5.169 1.857) 9.328 4.344 ( -8.310 4.305 -0.268) 9.363 4.438 ( 2.609 1.677 -1.892) 3.633 4.541 ( 2.555 3.253 0.090) 4.137 4.598 ( -0.690 0.833 0.194) 1.099 4.699 ( 0.181 -1.702 -1.100) 2.035 4.742 ( -2.496 4.570 4.434) 6.839 4.858 ( 0.622 2.593 0.172) 2.672 4.880 ( 0.032 5.412 -5.922) 8.022 4.921 ( 0.477 -3.163 -1.362) 3.477 5.007 ( 1.141 -3.697 0.132) 3.872 5.123 ( 1.093 -0.512 -1.629) 2.027 5.161 ( -1.821 10.494 -1.378) 10.740 5.289 ( -1.892 8.696 4.259) 9.866 5.392 ( -1.257 4.972 1.698) 5.402 5.405 ( -0.512 6.831 2.365) 7.247 5.445 ( -4.338 1.266 -0.313) 4.530 5.597 ( -0.530 2.462 -1.363) 2.864 5.713 ( 2.493 3.346 -1.226) 4.349 5.734 ( 0.379 4.750 0.541) 4.796 5.815 ( 0.502 -2.855 0.349) 2.920 5.865 ( -0.886 -7.580 3.685) 8.475 6.060 ( 3.866 0.748 0.012) 3.938 6.141 ( 2.274 -7.301 1.806) 7.857 6.300 ( -3.470 -2.042 -2.460) 4.718 6.386 ( 2.534 -1.391 2.689) 3.949 6.452 ( -3.932 -4.161 -1.554) 5.932 6.478 ( 4.418 3.766 1.143) 5.916 6.934 ( 5.150 -12.155 -2.362) 13.410 7.044 ( 0.598 -6.187 -1.694) 6.443 7.637 ( -1.714 -11.046 2.864) 11.539 7.751 ( 1.983 -7.034 -4.603) 8.637 8.057 ( 0.604 -24.235 3.428) 24.484 9.104 ( -0.197 -18.360 -1.640) 18.434 9.214 ( 0.817 -22.346 1.170) 22.391 10.251 ( -0.587 4.975 0.805) 5.074 10.900 ( -0.531 -7.349 0.903) 7.424 10.933 ( -0.565 20.122 -1.838) 20.213 11.812 ( 0.298 1.655 -0.483) 1.749 12.216 ( -0.591 24.202 -0.405) 24.212 12.826 ( 0.106 -0.857 -0.239) 0.895 12.946 ( -2.017 -6.291 4.228) 7.843 13.943 ( 0.768 -0.545 -4.870) 4.960 14.082 ( 0.228 -5.364 -0.104) 5.370 14.275 ( -0.240 2.282 2.450) 3.357 ======================= Grid point 83 (40/77) ======================= q-point: (-0.40 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( -6.125 12.280 -4.842) 14.552 1.712 ( 0.508 2.821 2.302) 3.677 1.713 ( -6.017 12.262 1.710) 13.766 1.917 ( -1.788 13.092 -5.387) 14.269 2.013 ( 4.564 12.937 5.644) 14.834 2.143 ( 0.088 15.651 3.390) 16.014 2.213 ( 0.062 9.680 3.212) 10.199 2.301 ( -1.226 12.033 -2.622) 12.376 2.374 ( -7.735 9.174 -2.285) 12.215 2.600 ( 4.776 8.356 7.010) 11.907 2.668 ( 0.559 9.619 2.702) 10.007 2.814 ( -0.928 14.602 -4.097) 15.194 2.899 ( -8.076 7.014 -3.987) 11.416 2.920 ( -3.370 5.842 3.757) 7.720 3.026 ( 4.309 8.090 -1.462) 9.282 3.133 ( -2.863 15.761 1.404) 16.080 3.199 ( -6.923 4.529 2.566) 8.661 3.330 ( 6.261 8.395 -4.806) 11.523 3.373 ( -5.489 1.401 -2.436) 6.167 3.412 ( -0.661 5.237 0.756) 5.332 3.507 ( 0.983 7.232 2.890) 7.850 3.636 ( -0.343 6.895 -0.173) 6.906 3.802 ( 3.487 11.909 2.113) 12.588 3.889 ( 6.214 7.168 -3.324) 10.052 3.938 ( -1.159 7.613 0.892) 7.752 4.026 ( -0.746 4.849 1.225) 5.057 4.070 ( 4.713 6.539 -6.510) 10.361 4.179 ( 3.800 6.922 0.396) 7.907 4.221 ( 0.912 5.799 -0.954) 5.947 4.489 ( 2.809 3.997 -1.398) 5.081 4.584 ( 0.621 1.502 -0.541) 1.713 4.631 ( 2.843 -0.335 1.254) 3.126 4.658 ( -2.128 -0.066 0.727) 2.250 4.725 ( -2.836 1.808 3.620) 4.942 4.834 ( -0.913 4.858 -3.741) 6.199 4.873 ( 1.498 -0.665 -1.496) 2.219 4.952 ( 1.207 -2.183 0.438) 2.533 5.034 ( 1.674 1.817 -1.321) 2.802 5.092 ( -1.589 6.875 -2.726) 7.564 5.189 ( 4.438 -0.819 -2.536) 5.177 5.318 ( 2.851 6.868 4.215) 8.548 5.364 ( -1.489 11.663 5.874) 13.143 5.406 ( 0.799 5.066 1.005) 5.226 5.455 ( 2.119 4.146 -2.997) 5.537 5.565 ( -2.621 2.748 0.173) 3.801 5.726 ( 0.674 4.398 -2.667) 5.187 5.761 ( 3.387 -1.151 -0.180) 3.582 5.833 ( -0.447 -4.350 2.394) 4.985 5.856 ( -1.560 -4.528 3.245) 5.785 6.092 ( -2.578 -3.396 2.997) 5.212 6.172 ( -2.184 -4.501 -5.555) 7.476 6.198 ( -2.149 -1.466 4.334) 5.055 6.342 ( -5.760 -5.278 -1.842) 8.027 6.467 ( 2.948 -1.209 2.425) 4.004 6.507 ( -1.215 2.142 -0.897) 2.621 6.999 ( 0.006 -12.968 -0.874) 12.997 7.021 ( 0.106 -2.656 -3.195) 4.156 7.576 ( -4.703 -10.845 1.802) 11.957 7.777 ( 2.218 -7.461 -3.334) 8.468 8.061 ( -2.107 -24.047 3.413) 24.380 9.091 ( -0.140 -18.257 -1.413) 18.312 9.223 ( -0.580 -22.815 0.944) 22.842 10.251 ( 0.148 5.162 0.804) 5.226 10.885 ( -0.597 -1.387 0.226) 1.527 10.953 ( 2.535 14.101 -1.165) 14.374 11.815 ( 0.173 1.538 -0.496) 1.625 12.220 ( 1.249 24.053 -0.433) 24.089 12.831 ( 0.431 -0.165 -0.191) 0.500 12.939 ( -0.771 -6.927 4.226) 8.151 13.934 ( 0.907 -0.379 -4.616) 4.720 14.079 ( -0.330 -5.118 -0.257) 5.135 14.282 ( -0.435 2.062 2.352) 3.158 ======================= Grid point 84 (41/77) ======================= q-point: (-0.20 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -15.359 14.390 -0.123) 21.047 1.641 ( -2.587 13.097 0.124) 13.350 1.781 ( 2.941 1.253 3.541) 4.770 1.825 ( -7.703 8.821 -4.030) 12.386 2.020 ( -9.045 7.631 -8.382) 14.502 2.119 ( 1.940 16.728 5.208) 17.627 2.239 ( -2.376 8.976 -5.392) 10.737 2.269 ( 4.964 8.288 8.410) 12.808 2.323 ( 1.815 13.803 2.212) 14.096 2.569 ( -7.763 4.290 4.629) 10.005 2.688 ( 0.623 11.191 3.099) 11.629 2.739 ( -3.277 10.781 -6.948) 13.238 2.828 ( 1.458 15.127 -1.882) 15.313 2.913 ( 0.506 15.603 4.454) 16.234 3.014 ( -4.867 17.299 4.270) 18.471 3.061 ( -7.208 3.876 2.604) 8.588 3.171 ( 5.396 7.917 0.076) 9.582 3.327 ( 0.679 3.507 -2.670) 4.459 3.347 ( -0.470 4.104 -1.649) 4.448 3.411 ( 0.035 11.627 -3.633) 12.182 3.556 ( 2.331 3.733 0.419) 4.421 3.660 ( 2.521 5.008 -1.685) 5.855 3.777 ( -2.924 13.766 0.314) 14.077 3.927 ( 0.153 3.642 1.311) 3.874 3.964 ( 0.879 7.223 -3.258) 7.972 4.027 ( 0.126 3.662 2.492) 4.431 4.115 ( 4.399 4.537 -1.383) 6.469 4.317 ( 5.430 6.350 -5.243) 9.864 4.399 ( 10.070 7.861 8.199) 15.180 4.529 ( -1.384 -0.925 -1.695) 2.376 4.554 ( 2.048 1.883 -1.037) 2.969 4.650 ( 0.640 1.289 -0.886) 1.690 4.677 ( 1.713 3.726 -1.451) 4.350 4.719 ( 0.720 -1.821 1.108) 2.250 4.799 ( -0.276 4.446 -2.374) 5.047 4.890 ( 0.107 -0.470 -0.701) 0.851 4.948 ( -1.581 0.590 0.239) 1.705 5.036 ( 0.699 11.759 -5.239) 12.892 5.105 ( 2.146 1.571 0.216) 2.668 5.253 ( 4.574 2.433 -3.779) 6.412 5.366 ( -2.358 10.341 7.375) 12.918 5.386 ( 0.566 1.638 0.100) 1.736 5.445 ( 2.392 1.094 1.375) 2.968 5.491 ( 0.632 0.863 4.667) 4.788 5.539 ( 1.574 6.271 -3.266) 7.244 5.725 ( -0.011 0.008 0.726) 0.726 5.795 ( -4.030 -1.804 2.848) 5.254 5.815 ( -2.015 -2.379 0.237) 3.127 5.886 ( 5.823 -3.083 -1.723) 6.811 5.974 ( -8.107 -1.463 -6.993) 10.806 6.064 ( -2.830 -1.105 2.857) 4.170 6.189 ( -4.616 -8.039 5.322) 10.689 6.282 ( 2.047 -0.771 1.565) 2.690 6.456 ( -2.280 -1.725 -1.930) 3.449 6.524 ( 2.865 -0.794 -0.473) 3.011 6.916 ( -5.544 -8.491 -2.828) 10.528 7.013 ( -1.681 -2.557 0.195) 3.066 7.507 ( -1.899 -10.309 0.996) 10.530 7.797 ( 1.054 -8.945 -2.412) 9.324 8.019 ( -3.271 -21.723 3.596) 22.260 9.089 ( 0.512 -18.748 -0.352) 18.759 9.204 ( -1.395 -21.471 0.151) 21.517 10.262 ( 0.368 4.728 0.830) 4.814 10.884 ( 0.176 -4.753 0.472) 4.780 11.002 ( 2.529 14.490 -1.556) 14.791 11.814 ( 0.021 1.556 -0.663) 1.692 12.251 ( 1.868 21.836 -1.571) 21.972 12.838 ( 0.360 0.390 -0.418) 0.676 12.957 ( -0.287 -6.972 5.735) 9.032 13.934 ( 1.648 -0.046 -4.887) 5.158 14.069 ( -0.583 -5.091 0.258) 5.131 14.281 ( -0.746 1.909 1.917) 2.806 ======================= Grid point 85 (42/77) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.465 12.121 1.330) 12.203 1.610 ( -5.278 2.785 -5.120) 7.863 1.838 ( 3.236 0.577 3.167) 4.564 1.933 ( 2.964 6.704 -3.850) 8.280 2.140 ( -4.169 3.844 3.158) 6.491 2.224 ( 0.874 8.072 -3.546) 8.860 2.480 ( -3.565 4.935 1.593) 6.293 2.525 ( 1.370 13.526 3.284) 13.986 2.599 ( 1.661 14.078 0.232) 14.178 2.698 ( 2.726 7.485 1.882) 8.185 2.782 ( -0.247 5.566 0.073) 5.572 2.992 ( -1.828 4.162 -0.032) 4.546 3.021 ( 3.012 8.690 -1.332) 9.293 3.103 ( -2.151 8.194 3.637) 9.219 3.199 ( -0.416 10.890 4.662) 11.853 3.324 ( -0.883 5.508 -2.078) 5.953 3.384 ( -0.227 6.031 3.119) 6.794 3.390 ( 1.390 6.831 -2.757) 7.497 3.513 ( 2.514 10.077 -0.931) 10.428 3.589 ( -2.042 10.194 -2.201) 10.627 3.734 ( 2.927 8.415 0.135) 8.911 3.747 ( 1.187 0.917 -4.262) 4.518 3.925 ( -2.368 3.394 0.459) 4.164 3.944 ( -2.710 -0.331 5.819) 6.428 4.031 ( 0.798 7.470 -3.382) 8.239 4.152 ( -0.255 3.146 2.691) 4.148 4.292 ( 2.330 5.326 -7.234) 9.280 4.342 ( -2.111 -4.393 1.874) 5.222 4.412 ( 0.672 -2.782 -6.253) 6.877 4.518 ( 0.864 -6.131 -1.164) 6.300 4.600 ( -3.230 1.110 3.003) 4.548 4.670 ( -2.575 -0.815 3.493) 4.416 4.740 ( 5.114 1.392 -0.183) 5.303 4.805 ( -0.583 2.851 -0.532) 2.959 4.843 ( -0.599 -2.866 -0.146) 2.931 4.898 ( 3.769 2.516 0.995) 4.640 4.945 ( -2.784 -0.079 1.624) 3.224 5.056 ( -1.740 -2.367 -6.461) 7.098 5.203 ( 0.931 -5.818 -0.042) 5.892 5.266 ( 1.210 -2.621 1.758) 3.380 5.315 ( -6.495 -8.744 1.516) 10.997 5.417 ( 3.837 0.766 -0.701) 3.975 5.468 ( 4.985 1.670 3.084) 6.096 5.579 ( 0.165 3.026 2.027) 3.646 5.607 ( -1.523 -0.086 0.738) 1.695 5.648 ( -4.071 -3.773 0.629) 5.586 5.753 ( 0.658 -3.628 -1.623) 4.029 5.819 ( 5.130 0.043 0.161) 5.132 5.938 ( -3.647 6.948 -0.851) 7.893 5.979 ( 4.241 4.295 -2.354) 6.478 6.065 ( -4.117 11.450 0.612) 12.183 6.162 ( -2.246 3.064 3.037) 4.864 6.415 ( 1.645 11.606 -0.528) 11.734 6.520 ( 0.775 10.066 -3.864) 10.810 6.604 ( 2.277 2.984 -1.326) 3.981 6.774 ( -2.297 6.157 0.563) 6.595 6.912 ( -2.035 -6.221 1.359) 6.685 7.268 ( 2.510 -13.271 0.784) 13.529 7.646 ( -0.344 -5.580 0.385) 5.604 7.690 ( -0.294 -7.411 -0.005) 7.416 8.730 ( 0.203 -16.008 0.350) 16.013 8.827 ( -0.118 -13.983 -0.024) 13.983 10.306 ( -0.149 -0.621 0.394) 0.750 10.629 ( -0.278 -14.367 1.076) 14.410 11.298 ( 0.585 11.390 -2.705) 11.722 11.892 ( 0.041 2.341 -0.312) 2.362 12.640 ( 0.616 15.383 -2.348) 15.573 12.899 ( -1.996 1.980 6.805) 7.363 12.933 ( 0.337 6.358 -0.625) 6.397 13.902 ( -0.231 -10.100 0.025) 10.103 13.918 ( 1.649 -2.008 -4.496) 5.192 14.257 ( -0.715 -3.399 2.103) 4.061 ======================= Grid point 86 (43/77) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 7.968 5.683 -0.726) 9.813 1.659 ( 12.377 9.880 2.285) 16.001 1.899 ( 1.124 4.393 -2.219) 5.048 2.009 ( 6.314 4.430 -4.499) 8.930 2.142 ( 2.064 6.011 2.840) 6.962 2.255 ( 4.412 9.424 -0.732) 10.431 2.441 ( -1.848 9.137 1.936) 9.520 2.555 ( 0.161 10.151 1.515) 10.265 2.632 ( 0.446 13.233 1.640) 13.342 2.703 ( -2.021 5.148 -3.699) 6.653 2.815 ( 2.077 5.871 2.677) 6.779 2.957 ( 0.480 7.818 2.884) 8.347 3.088 ( 0.681 8.776 4.403) 9.843 3.125 ( 3.326 1.204 -0.696) 3.606 3.198 ( -1.089 11.061 3.190) 11.564 3.280 ( -3.668 4.736 -5.008) 7.808 3.342 ( -1.725 0.423 -0.563) 1.863 3.413 ( 1.552 7.792 -0.588) 7.967 3.526 ( -1.283 6.638 -1.616) 6.951 3.596 ( 2.829 13.020 1.553) 13.414 3.739 ( 0.214 2.701 -3.571) 4.482 3.790 ( 2.844 6.239 -4.919) 8.439 3.857 ( -2.538 7.351 1.441) 7.909 3.910 ( -4.365 2.572 5.652) 7.591 4.032 ( 1.001 9.127 -2.604) 9.544 4.193 ( 2.559 3.221 2.648) 4.892 4.249 ( -1.483 6.293 -3.774) 7.487 4.330 ( -0.692 -4.917 1.195) 5.107 4.410 ( 1.320 -2.488 -3.842) 4.763 4.511 ( -6.092 1.396 4.162) 7.509 4.559 ( 3.253 -3.974 -0.909) 5.215 4.611 ( -5.438 0.751 0.575) 5.519 4.750 ( -4.027 0.882 0.225) 4.129 4.794 ( -0.807 -2.204 3.901) 4.552 4.837 ( -0.971 0.629 -4.430) 4.579 4.876 ( -0.858 -3.908 -0.052) 4.001 4.927 ( -1.403 0.715 0.952) 1.840 4.996 ( -1.165 -0.952 -3.171) 3.510 5.140 ( -6.122 -4.890 -3.044) 8.406 5.268 ( 0.028 -6.517 3.354) 7.330 5.293 ( 1.193 -3.215 -0.695) 3.499 5.448 ( -0.704 0.290 0.317) 0.825 5.473 ( -5.136 -3.213 2.237) 6.458 5.581 ( 1.072 -1.865 2.369) 3.200 5.635 ( 3.424 2.977 0.902) 4.626 5.688 ( 5.220 6.900 -2.361) 8.968 5.780 ( 1.150 -3.510 -1.476) 3.978 5.855 ( -2.604 0.535 0.128) 2.661 5.894 ( -0.402 1.465 -4.534) 4.781 5.958 ( -1.139 8.886 7.842) 11.906 6.117 ( 6.650 10.370 -2.122) 12.500 6.197 ( 4.204 0.276 2.644) 4.974 6.443 ( 0.187 11.406 1.541) 11.512 6.534 ( 3.116 8.432 -4.963) 10.268 6.636 ( -0.852 6.811 1.638) 7.057 6.734 ( 0.379 3.449 -2.661) 4.372 6.908 ( 1.268 -6.186 -1.354) 6.458 7.339 ( 2.658 -14.980 2.639) 15.441 7.641 ( -0.204 -4.303 0.079) 4.309 7.686 ( -0.001 -8.020 -0.122) 8.021 8.736 ( 0.199 -16.327 0.102) 16.328 8.827 ( 0.076 -14.148 0.090) 14.148 10.304 ( -0.265 -0.429 0.425) 0.659 10.630 ( -0.209 -14.548 1.078) 14.589 11.288 ( -0.048 12.124 -2.647) 12.410 11.892 ( 0.157 2.354 -0.327) 2.382 12.647 ( 1.093 16.521 -1.651) 16.640 12.868 ( -3.089 2.847 3.755) 5.635 12.940 ( -0.346 5.238 1.720) 5.524 13.892 ( -0.033 -7.857 -1.918) 8.088 13.932 ( 1.305 -4.693 -2.604) 5.523 14.256 ( -0.487 -3.338 2.210) 4.032 ======================= Grid point 87 (44/77) ======================= q-point: ( 0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( 4.937 4.609 0.463) 6.770 1.868 ( -0.483 8.014 -3.042) 8.585 1.964 ( 10.162 3.778 1.405) 10.932 2.097 ( -0.644 10.080 0.734) 10.127 2.237 ( 10.966 8.105 -1.585) 13.728 2.366 ( -1.635 11.620 0.824) 11.764 2.398 ( 2.315 11.177 1.082) 11.466 2.549 ( -0.955 6.257 -2.177) 6.693 2.595 ( -1.907 9.302 4.784) 10.632 2.664 ( -1.872 8.527 0.658) 8.755 2.872 ( 1.942 10.913 1.352) 11.167 2.999 ( -3.767 4.026 4.564) 7.157 3.097 ( -0.882 -1.546 -2.274) 2.887 3.139 ( -3.153 7.946 -5.032) 9.920 3.170 ( -2.101 7.051 3.035) 7.959 3.197 ( 3.631 2.515 1.582) 4.691 3.336 ( -2.288 4.199 -4.577) 6.620 3.444 ( 4.460 1.262 -2.805) 5.418 3.478 ( -1.527 5.420 -3.336) 6.545 3.642 ( 0.671 12.132 2.720) 12.451 3.730 ( 0.263 6.044 -1.523) 6.239 3.809 ( 0.882 10.546 2.619) 10.902 3.844 ( -2.762 6.125 5.088) 8.428 3.909 ( 5.612 8.952 -1.648) 10.693 4.076 ( 4.911 7.835 -4.558) 10.309 4.180 ( -3.581 4.881 3.736) 7.113 4.267 ( 1.548 6.419 -2.492) 7.057 4.284 ( -4.095 1.280 -1.617) 4.585 4.399 ( -6.160 0.253 0.618) 6.196 4.420 ( -0.545 -0.845 3.874) 4.003 4.519 ( -0.651 -4.720 -1.162) 4.904 4.609 ( 0.852 -0.728 -2.998) 3.201 4.664 ( -2.039 -0.740 -0.241) 2.183 4.770 ( -4.245 -3.356 7.075) 8.907 4.816 ( 1.404 -2.236 -1.527) 3.050 4.874 ( -1.217 -3.077 -3.968) 5.167 4.907 ( 1.919 -4.240 -0.109) 4.656 4.957 ( -2.282 0.131 1.186) 2.576 5.031 ( -0.510 -7.375 -5.018) 8.935 5.252 ( -2.311 -0.944 -2.660) 3.648 5.319 ( 1.880 -5.421 4.391) 7.225 5.419 ( 0.572 0.172 1.892) 1.984 5.477 ( 0.039 1.912 2.581) 3.212 5.616 ( -0.961 -9.060 4.411) 10.122 5.662 ( -3.142 3.855 -1.505) 5.196 5.687 ( 1.531 3.007 -2.918) 4.461 5.795 ( 1.453 6.030 -2.235) 6.593 5.828 ( -1.701 4.646 -3.541) 6.085 5.863 ( 1.346 3.704 -0.324) 3.954 6.042 ( 1.784 2.390 8.763) 9.257 6.201 ( 2.267 12.096 0.024) 12.307 6.298 ( 2.273 2.362 1.330) 3.537 6.433 ( -0.891 9.539 0.465) 9.592 6.547 ( -0.803 6.428 -3.629) 7.425 6.657 ( 3.276 10.515 1.732) 11.148 6.750 ( 2.185 -2.081 -3.621) 4.714 6.925 ( 1.730 -6.405 -4.683) 8.121 7.373 ( -1.629 -15.397 4.998) 16.270 7.642 ( 0.325 -4.233 -0.319) 4.258 7.689 ( 0.397 -8.908 -0.426) 8.927 8.736 ( -0.121 -16.280 -0.422) 16.286 8.831 ( 0.118 -14.761 0.292) 14.764 10.302 ( -0.155 -0.129 0.486) 0.526 10.631 ( -0.250 -14.689 1.076) 14.730 11.276 ( 0.336 13.027 -2.550) 13.278 11.894 ( 0.176 2.268 -0.349) 2.301 12.661 ( 0.649 19.017 -0.639) 19.039 12.835 ( -1.693 0.664 3.445) 3.896 12.935 ( -0.735 6.122 0.922) 6.234 13.883 ( 0.238 -6.479 -1.957) 6.772 13.940 ( 0.762 -6.298 -2.540) 6.834 14.260 ( -0.387 -3.490 2.343) 4.222 ======================= Grid point 88 (45/77) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( -3.772 1.672 0.564) 4.164 1.839 ( -1.812 7.422 -1.141) 7.725 1.955 ( -7.473 11.137 -2.313) 13.610 2.105 ( 0.682 4.704 2.335) 5.295 2.300 ( -2.585 13.567 0.463) 13.819 2.400 ( -3.962 8.572 -0.294) 9.448 2.450 ( -1.820 10.063 -3.991) 10.977 2.474 ( 2.130 5.129 2.979) 6.302 2.584 ( -3.199 14.590 2.235) 15.103 2.701 ( 2.033 2.726 2.966) 4.512 2.870 ( 0.511 -2.692 6.126) 6.711 2.906 ( -2.039 10.373 -1.629) 10.696 3.042 ( -3.592 3.363 -2.061) 5.335 3.095 ( -0.050 7.237 -3.482) 8.031 3.168 ( 0.605 9.271 1.196) 9.368 3.232 ( -0.487 5.450 -0.863) 5.539 3.333 ( 5.581 4.363 -0.741) 7.123 3.426 ( -1.641 7.054 -3.118) 7.885 3.531 ( 4.074 3.157 -2.815) 5.873 3.639 ( -3.006 9.984 0.978) 10.473 3.720 ( -5.783 14.745 1.699) 15.929 3.748 ( -0.232 5.299 0.871) 5.375 3.920 ( 2.353 4.794 6.544) 8.446 4.040 ( 7.708 5.015 -5.246) 10.587 4.100 ( -3.424 2.855 -1.875) 4.836 4.110 ( -2.181 4.940 2.339) 5.885 4.214 ( -2.764 5.761 -5.622) 8.511 4.322 ( 4.922 6.002 2.284) 8.091 4.338 ( 7.013 6.359 -1.769) 9.631 4.460 ( 1.167 -4.618 3.182) 5.729 4.522 ( -2.716 -7.273 5.131) 9.306 4.574 ( -0.101 -1.889 -4.567) 4.943 4.667 ( 1.231 -1.624 1.139) 2.334 4.696 ( -2.357 -2.645 0.682) 3.608 4.836 ( 1.263 -2.953 -2.730) 4.215 4.893 ( 2.387 -0.632 0.804) 2.597 4.921 ( -1.288 -0.431 -0.711) 1.533 4.990 ( 5.421 -5.265 0.493) 7.573 5.078 ( 5.951 -6.518 -2.483) 9.169 5.209 ( 0.259 0.435 -4.198) 4.228 5.361 ( -1.042 -3.030 3.542) 4.776 5.447 ( 0.603 -0.492 2.858) 2.962 5.465 ( -2.265 1.611 0.923) 2.928 5.591 ( -0.432 -6.572 2.851) 7.176 5.649 ( -1.455 1.761 3.562) 4.232 5.674 ( -0.094 -0.862 -1.842) 2.036 5.760 ( -2.140 -0.969 -3.869) 4.527 5.812 ( 0.370 5.241 -2.804) 5.956 5.877 ( 0.851 8.724 -2.054) 9.003 6.087 ( -1.302 3.359 5.513) 6.586 6.204 ( -3.215 11.202 5.218) 12.769 6.263 ( -4.588 6.894 0.091) 8.281 6.432 ( 0.224 11.322 -2.187) 11.534 6.527 ( 0.505 6.974 -0.490) 7.009 6.671 ( -1.615 7.339 -3.066) 8.116 6.797 ( 2.088 -3.200 0.448) 3.847 6.932 ( 2.173 -6.407 -6.622) 9.467 7.331 ( -4.841 -13.773 5.532) 15.612 7.648 ( 0.232 -5.451 -0.024) 5.456 7.695 ( 0.344 -8.911 -0.507) 8.932 8.729 ( -0.240 -15.922 -0.395) 15.928 8.833 ( -0.055 -14.924 0.264) 14.926 10.303 ( -0.017 -0.139 0.486) 0.505 10.631 ( -0.314 -14.601 1.074) 14.644 11.278 ( 1.191 12.855 -2.553) 13.160 11.895 ( 0.073 2.193 -0.349) 2.222 12.660 ( -0.275 18.823 -0.907) 18.847 12.842 ( 0.050 -0.285 4.795) 4.803 12.929 ( 0.114 7.178 -0.195) 7.182 13.882 ( 0.593 -5.662 -1.518) 5.892 13.936 ( 0.339 -6.827 -2.908) 7.429 14.263 ( -0.562 -3.642 2.312) 4.350 ======================= Grid point 89 (46/77) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( -10.603 9.933 -0.122) 14.530 1.765 ( -3.911 1.618 3.804) 5.691 1.880 ( -3.988 6.870 -5.378) 9.593 1.954 ( -9.733 2.567 -0.887) 10.105 2.215 ( -1.626 11.170 -3.143) 11.717 2.271 ( -5.664 -0.321 1.009) 5.762 2.471 ( 2.916 15.658 0.067) 15.927 2.544 ( -2.537 5.829 9.618) 11.529 2.569 ( 0.840 16.705 -0.343) 16.730 2.646 ( -0.873 4.325 -1.504) 4.662 2.825 ( -3.251 2.987 -2.391) 5.020 2.959 ( 1.219 7.449 1.953) 7.797 3.049 ( -0.051 4.650 -1.832) 4.998 3.099 ( 2.293 9.616 5.448) 11.287 3.167 ( -0.381 11.492 2.277) 11.721 3.288 ( 5.173 3.179 -1.633) 6.288 3.382 ( -1.391 6.438 0.630) 6.616 3.420 ( -0.032 6.423 -4.874) 8.063 3.485 ( -2.080 14.432 0.244) 14.583 3.611 ( 0.947 6.317 -0.447) 6.403 3.686 ( 1.203 8.610 0.076) 8.694 3.752 ( 0.388 3.805 -2.620) 4.636 3.940 ( -1.488 0.686 4.144) 4.456 3.996 ( -4.858 4.384 2.590) 7.037 4.061 ( -1.627 2.819 -3.242) 4.594 4.148 ( -0.350 4.619 0.465) 4.656 4.210 ( 8.045 5.800 -6.353) 11.778 4.403 ( -3.060 0.276 1.983) 3.657 4.451 ( -1.428 -3.364 -5.854) 6.901 4.493 ( 2.448 -7.550 1.044) 8.005 4.537 ( 9.221 5.227 3.850) 11.277 4.626 ( 3.541 -3.499 2.702) 5.664 4.686 ( 0.050 -0.290 1.923) 1.946 4.738 ( 5.195 2.565 0.062) 5.794 4.840 ( 0.248 -1.432 -1.461) 2.061 4.882 ( -1.492 -0.304 -1.605) 2.212 4.950 ( 1.750 -0.337 1.369) 2.247 5.079 ( 3.097 -5.472 -5.037) 8.057 5.156 ( 2.448 -5.390 2.299) 6.351 5.254 ( 5.436 4.688 -6.563) 9.726 5.311 ( -2.538 -4.606 0.822) 5.323 5.434 ( -1.664 -3.202 2.263) 4.260 5.443 ( -3.816 -4.043 5.127) 7.562 5.584 ( -0.758 4.526 1.534) 4.838 5.627 ( -2.762 -2.871 3.014) 4.996 5.696 ( 0.584 -3.544 -1.741) 3.991 5.726 ( 2.124 -4.195 0.268) 4.710 5.790 ( -1.255 -1.229 -2.255) 2.859 5.899 ( 3.329 11.326 -2.725) 12.116 6.037 ( -4.187 8.084 -1.692) 9.260 6.141 ( -5.021 8.309 4.392) 10.656 6.194 ( -2.758 7.540 4.919) 9.416 6.415 ( -0.571 12.359 -1.948) 12.525 6.533 ( 0.126 8.414 -2.065) 8.665 6.608 ( -1.875 3.764 -2.638) 4.964 6.805 ( -0.978 1.329 -0.051) 1.651 6.940 ( 0.415 -6.150 -2.417) 6.621 7.263 ( -3.191 -12.491 3.243) 13.294 7.650 ( -0.118 -6.113 0.299) 6.121 7.695 ( -0.117 -7.977 -0.202) 7.980 8.726 ( 0.027 -15.744 0.104) 15.745 8.831 ( -0.206 -14.476 0.087) 14.478 10.306 ( 0.008 -0.431 0.424) 0.605 10.630 ( -0.351 -14.404 1.076) 14.448 11.292 ( 1.353 11.848 -2.650) 12.216 11.893 ( -0.013 2.239 -0.328) 2.263 12.647 ( -0.119 16.415 -1.976) 16.534 12.876 ( 0.142 0.688 6.401) 6.439 12.934 ( 0.341 7.312 -0.657) 7.349 13.892 ( 0.891 -6.085 -0.633) 6.182 13.925 ( 0.311 -5.984 -3.782) 7.085 14.261 ( -0.754 -3.579 2.168) 4.251 ======================= Grid point 90 (47/77) ======================= q-point: ( 0.00 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -2.748 3.759 -0.911) 4.744 1.670 ( 1.984 2.413 0.156) 3.128 1.842 ( 0.741 2.498 2.537) 3.637 2.003 ( 0.922 -0.781 -2.129) 2.448 2.163 ( -1.640 2.458 0.522) 3.001 2.338 ( 0.219 -1.573 2.286) 2.783 2.573 ( -0.135 7.142 -1.241) 7.250 2.758 ( 1.628 0.786 1.090) 2.111 2.811 ( -0.098 11.723 0.123) 11.724 2.880 ( 1.152 4.741 1.149) 5.013 2.928 ( 1.278 12.923 -0.623) 13.001 3.062 ( -2.260 3.111 -3.523) 5.215 3.105 ( 1.017 2.589 0.298) 2.797 3.291 ( -2.488 7.490 5.473) 9.604 3.336 ( -1.413 -1.347 2.132) 2.891 3.437 ( -2.216 -1.965 -4.860) 5.692 3.468 ( -0.596 15.050 2.353) 15.245 3.563 ( 0.625 7.001 -1.563) 7.200 3.699 ( 1.689 6.115 -2.226) 6.724 3.739 ( 3.700 6.084 -1.525) 7.282 3.741 ( -0.386 3.048 -5.140) 5.988 3.894 ( 0.569 -0.928 0.435) 1.172 3.950 ( -0.172 3.964 3.005) 4.977 4.021 ( -0.044 6.075 2.151) 6.445 4.135 ( 1.946 -2.166 -0.298) 2.927 4.149 ( -1.921 -8.910 -0.552) 9.131 4.181 ( -0.580 0.652 2.301) 2.461 4.299 ( -0.761 -5.846 -0.437) 5.912 4.377 ( 1.823 -3.731 1.492) 4.413 4.436 ( -0.010 3.882 -5.313) 6.580 4.551 ( 0.754 -6.494 2.739) 7.088 4.642 ( -4.339 -2.238 4.421) 6.587 4.768 ( -2.329 -3.038 -1.553) 4.132 4.785 ( 2.769 2.293 0.210) 3.602 4.833 ( 1.764 0.319 -0.095) 1.795 4.870 ( 0.025 -4.885 0.682) 4.932 4.928 ( -2.091 -2.648 -0.028) 3.374 4.956 ( 2.954 -4.138 -0.651) 5.126 5.130 ( 0.099 0.639 -0.279) 0.705 5.185 ( -5.368 -1.957 0.005) 5.714 5.239 ( -1.009 -0.143 2.330) 2.543 5.419 ( 4.827 -2.839 -3.284) 6.492 5.447 ( 0.442 -0.297 1.700) 1.782 5.518 ( -2.038 -2.300 1.936) 3.632 5.586 ( -1.541 -3.015 1.538) 3.718 5.612 ( 1.549 -3.085 -0.660) 3.515 5.660 ( 1.085 -0.760 0.649) 1.475 5.788 ( 1.168 -4.029 -0.291) 4.205 6.062 ( -0.689 4.677 -5.987) 7.629 6.173 ( 2.017 0.728 -4.292) 4.798 6.241 ( 0.327 17.943 -1.311) 17.994 6.389 ( -2.812 10.744 3.361) 11.603 6.585 ( -0.885 1.452 1.200) 2.081 6.701 ( 0.257 7.140 1.560) 7.313 6.738 ( 1.114 6.414 -2.286) 6.900 6.818 ( -0.018 2.006 -0.426) 2.051 6.915 ( -0.449 3.719 1.945) 4.220 7.063 ( 0.380 -6.877 0.911) 6.948 7.519 ( 0.131 -2.516 -0.339) 2.542 7.651 ( 0.125 -1.211 -0.216) 1.236 8.485 ( 0.033 -6.778 0.067) 6.779 8.596 ( -0.022 -8.833 -0.015) 8.833 10.269 ( -0.096 -2.043 0.211) 2.057 10.378 ( -0.298 -9.179 0.966) 9.234 11.506 ( 0.414 9.267 -1.602) 9.413 11.849 ( -0.000 -5.902 0.053) 5.902 12.873 ( -0.186 8.281 0.820) 8.324 13.048 ( 0.210 2.751 -1.009) 2.938 13.073 ( -0.421 13.452 1.991) 13.605 13.658 ( -0.122 -13.234 -0.250) 13.237 13.904 ( 0.783 1.657 -2.388) 3.010 14.147 ( -0.448 -6.901 1.557) 7.088 ======================= Grid point 91 (48/77) ======================= q-point: ( 0.20 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( 6.520 4.029 0.821) 7.708 1.790 ( 8.375 1.265 -0.529) 8.486 1.959 ( 7.694 4.241 0.818) 8.823 2.078 ( 7.305 0.689 -3.568) 8.159 2.195 ( 4.911 3.081 2.810) 6.442 2.398 ( 5.019 -0.968 2.136) 5.540 2.580 ( 0.906 8.156 -0.286) 8.211 2.756 ( -1.595 2.155 -3.415) 4.342 2.779 ( -3.232 10.225 0.270) 10.727 2.904 ( 1.050 6.439 -1.084) 6.614 2.960 ( 0.975 10.858 2.883) 11.276 3.056 ( 2.025 0.964 5.071) 5.545 3.096 ( -2.219 -2.043 -1.263) 3.270 3.241 ( -3.736 7.363 1.139) 8.335 3.320 ( -4.656 -3.485 -7.315) 9.346 3.333 ( -0.774 -0.254 1.729) 1.911 3.454 ( -1.910 13.310 1.856) 13.573 3.578 ( 1.511 6.763 -0.043) 6.930 3.653 ( -2.934 10.015 -2.722) 10.785 3.746 ( 1.842 2.831 -0.956) 3.510 3.849 ( 6.687 7.082 -2.650) 10.094 3.880 ( -1.947 -0.858 0.185) 2.136 3.988 ( 2.189 4.888 0.644) 5.395 4.043 ( 0.960 9.308 2.630) 9.720 4.137 ( -1.896 -3.170 2.620) 4.528 4.152 ( 3.101 -10.670 -1.759) 11.250 4.221 ( 3.148 2.628 -0.700) 4.160 4.294 ( 0.317 -6.129 2.989) 6.827 4.383 ( -2.707 4.962 -5.076) 7.597 4.435 ( 2.604 -5.172 0.250) 5.796 4.553 ( -4.830 -1.108 4.709) 6.836 4.574 ( 0.452 -2.988 2.121) 3.692 4.683 ( -5.342 -5.038 0.468) 7.358 4.769 ( -7.337 -5.049 -2.371) 9.217 4.808 ( 0.230 0.284 0.268) 0.453 4.845 ( -1.536 0.655 -0.472) 1.736 4.933 ( -1.488 0.025 -0.354) 1.530 4.953 ( -2.904 -3.398 -3.203) 5.499 5.052 ( -6.042 1.666 2.998) 6.948 5.145 ( 1.536 -3.111 2.169) 4.092 5.237 ( -1.189 -4.055 -1.449) 4.467 5.375 ( -2.420 -6.803 -2.513) 7.645 5.470 ( 0.888 0.553 -0.049) 1.048 5.511 ( -1.590 -1.923 3.704) 4.466 5.547 ( -1.147 -3.040 4.657) 5.678 5.694 ( 3.758 -5.074 -1.506) 6.491 5.735 ( 4.510 -0.037 -0.620) 4.553 5.806 ( 1.715 -2.740 0.176) 3.237 6.095 ( 4.714 7.007 -3.360) 9.089 6.233 ( 2.638 12.945 -3.911) 13.778 6.257 ( 4.905 9.765 -2.443) 11.197 6.381 ( 1.244 8.439 1.310) 8.630 6.559 ( -2.760 -0.661 2.626) 3.867 6.713 ( 0.670 8.161 -2.224) 8.485 6.772 ( 2.851 5.135 0.478) 5.893 6.817 ( 0.351 4.455 -2.045) 4.915 6.913 ( -1.088 3.671 2.713) 4.693 7.081 ( 0.464 -9.496 1.457) 9.618 7.521 ( 0.229 -2.347 -0.315) 2.379 7.653 ( 0.103 -0.966 -0.116) 0.978 8.485 ( -0.051 -6.979 0.037) 6.980 8.594 ( -0.176 -8.870 0.005) 8.871 10.269 ( -0.047 -2.036 0.221) 2.048 10.377 ( -0.318 -9.222 0.949) 9.276 11.504 ( 0.248 9.438 -1.545) 9.567 11.849 ( -0.016 -5.919 0.065) 5.919 12.882 ( 0.415 7.808 1.230) 7.915 13.035 ( -0.600 6.392 -1.312) 6.553 13.076 ( -0.395 10.844 1.760) 10.993 13.657 ( 0.111 -13.206 -0.177) 13.207 13.902 ( 0.234 1.357 -2.380) 2.750 14.145 ( -0.482 -6.998 1.572) 7.188 ======================= Grid point 92 (49/77) ======================= q-point: ( 0.40 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 2.738 2.960 0.004) 4.032 1.913 ( 2.535 -1.806 -0.021) 3.113 2.105 ( 6.405 7.402 0.873) 9.827 2.225 ( 3.834 2.439 0.880) 4.628 2.365 ( 11.445 5.738 -1.875) 12.939 2.528 ( 3.173 5.381 1.211) 6.363 2.600 ( 1.315 2.275 0.611) 2.698 2.685 ( -3.488 11.353 0.057) 11.877 2.709 ( -2.049 2.134 -0.133) 2.961 2.901 ( -8.860 -0.117 -0.812) 8.898 2.923 ( 0.880 8.256 -1.232) 8.393 3.046 ( -1.415 -1.404 4.251) 4.695 3.103 ( -6.190 -1.782 -10.919) 12.678 3.159 ( 4.075 -0.702 2.529) 4.847 3.247 ( 1.945 9.015 4.636) 10.322 3.387 ( 2.963 3.267 0.961) 4.514 3.423 ( -0.790 8.895 0.750) 8.961 3.583 ( -1.612 9.074 -2.652) 9.590 3.633 ( 2.262 10.785 0.302) 11.024 3.761 ( -0.278 3.497 0.732) 3.584 3.834 ( -2.336 -0.157 0.987) 2.541 3.966 ( 5.247 5.992 -3.603) 8.741 4.012 ( -0.688 7.105 -1.594) 7.314 4.064 ( 0.734 3.892 0.635) 4.012 4.143 ( 1.527 -4.411 1.587) 4.931 4.221 ( 0.167 3.266 2.072) 3.871 4.238 ( 1.340 -7.671 -2.273) 8.112 4.309 ( -0.424 0.211 1.461) 1.536 4.358 ( 0.502 -0.717 2.389) 2.544 4.441 ( -0.488 2.665 1.808) 3.257 4.527 ( -6.750 1.599 -0.477) 6.953 4.566 ( 2.104 -2.515 -0.103) 3.281 4.623 ( -4.347 -4.922 -5.249) 8.407 4.635 ( 3.037 -7.450 2.075) 8.308 4.732 ( -5.487 -4.185 -2.583) 7.368 4.780 ( -4.616 -1.598 1.604) 5.141 4.856 ( -1.836 -1.984 -1.317) 3.007 4.884 ( -0.818 -5.244 -1.585) 5.539 5.011 ( 0.087 5.213 1.530) 5.433 5.192 ( -0.502 -3.274 1.139) 3.503 5.221 ( 2.133 -4.230 1.689) 5.030 5.351 ( -0.934 -9.614 -0.838) 9.696 5.463 ( -1.491 -0.680 4.761) 5.035 5.512 ( -0.562 -0.137 1.672) 1.769 5.572 ( 0.470 0.010 4.468) 4.493 5.726 ( 0.448 -5.817 -2.520) 6.355 5.784 ( 0.866 0.805 -1.730) 2.095 5.844 ( 1.135 -1.514 -0.771) 2.044 6.162 ( 2.840 9.750 -1.326) 10.242 6.252 ( 0.858 18.143 -0.787) 18.180 6.367 ( 5.874 4.515 -3.022) 8.001 6.433 ( 1.860 2.941 -2.898) 4.528 6.524 ( -0.424 2.414 2.575) 3.554 6.703 ( -0.123 8.639 -2.988) 9.142 6.807 ( -0.204 4.398 -2.788) 5.211 6.839 ( 2.812 4.824 1.650) 5.822 6.893 ( -2.220 2.350 2.083) 3.845 7.087 ( -0.902 -11.020 2.238) 11.281 7.523 ( 0.103 -2.319 -0.239) 2.334 7.653 ( -0.035 -0.842 0.035) 0.843 8.483 ( -0.090 -7.103 -0.047) 7.104 8.591 ( -0.081 -8.975 0.057) 8.975 10.269 ( -0.010 -2.032 0.237) 2.046 10.376 ( -0.242 -9.258 0.922) 9.307 11.501 ( 0.290 9.616 -1.460) 9.731 11.849 ( -0.036 -5.997 0.087) 5.997 12.897 ( -0.007 6.373 2.036) 6.690 13.019 ( -0.098 10.744 -1.559) 10.857 13.074 ( -0.421 8.739 0.939) 8.800 13.660 ( 0.197 -13.206 0.109) 13.208 13.893 ( 0.249 1.191 -2.469) 2.753 14.144 ( -0.419 -7.277 1.588) 7.460 ======================= Grid point 93 (50/77) ======================= q-point: (-0.40 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -3.240 2.695 0.013) 4.215 1.913 ( -2.153 -0.716 -0.011) 2.269 2.169 ( -7.289 7.682 0.174) 10.591 2.187 ( -1.212 6.059 1.496) 6.358 2.411 ( -13.030 -1.470 -5.638) 14.273 2.469 ( -7.051 0.183 6.110) 9.331 2.599 ( 2.514 5.823 0.504) 6.362 2.682 ( 5.832 9.878 0.952) 11.511 2.725 ( -2.860 -0.647 -2.355) 3.761 2.833 ( 4.826 2.053 1.433) 5.437 2.906 ( -2.564 -0.434 -4.221) 4.958 2.949 ( 2.606 13.106 -2.094) 13.525 3.122 ( 2.551 0.522 0.602) 2.672 3.217 ( 1.208 4.923 1.713) 5.350 3.353 ( 4.071 8.685 3.708) 10.284 3.398 ( -0.470 9.308 3.273) 9.878 3.471 ( 2.739 -1.784 -1.641) 3.657 3.549 ( 0.054 11.281 -2.538) 11.563 3.649 ( -0.034 10.065 -3.105) 10.534 3.747 ( -1.454 5.100 0.501) 5.326 3.806 ( -0.393 -1.104 -0.993) 1.536 3.944 ( -4.092 5.151 0.593) 6.605 4.027 ( 2.278 0.946 -3.547) 4.320 4.084 ( -0.653 -1.044 2.023) 2.368 4.135 ( -6.317 1.734 0.578) 6.576 4.159 ( -2.411 -1.543 1.760) 3.360 4.249 ( -1.574 -1.498 1.671) 2.741 4.320 ( -0.647 -0.709 -2.793) 2.954 4.350 ( 0.613 -7.069 5.225) 8.811 4.447 ( 4.615 4.304 0.251) 6.315 4.504 ( 0.696 -1.039 -0.863) 1.519 4.520 ( -2.387 -0.191 -2.787) 3.674 4.619 ( 3.587 -0.621 -1.085) 3.798 4.653 ( 1.012 -2.761 1.769) 3.432 4.734 ( 4.235 -3.398 -2.243) 5.875 4.836 ( 6.143 -4.898 1.176) 7.944 4.852 ( 3.062 -5.362 -1.005) 6.256 4.880 ( 1.463 -1.980 -1.650) 2.963 5.054 ( 2.439 3.532 0.209) 4.297 5.173 ( -0.423 -2.129 -0.330) 2.196 5.264 ( -0.622 -5.774 4.738) 7.494 5.337 ( 0.638 -9.334 -0.201) 9.358 5.465 ( -1.050 -1.329 3.648) 4.022 5.481 ( -2.245 -0.362 0.316) 2.296 5.601 ( -0.565 0.398 5.345) 5.389 5.695 ( -2.043 -3.164 -2.015) 4.271 5.758 ( -2.283 1.841 -1.308) 3.211 5.826 ( -2.020 -1.123 -2.084) 3.112 6.196 ( 1.154 7.811 -1.759) 8.089 6.246 ( -1.068 16.852 -0.599) 16.896 6.368 ( -5.020 -0.095 -3.376) 6.051 6.436 ( 1.461 8.480 0.051) 8.605 6.580 ( 2.848 2.518 0.224) 3.808 6.686 ( -0.053 9.320 -2.036) 9.540 6.776 ( -1.240 4.510 -3.105) 5.614 6.852 ( -1.952 0.807 0.401) 2.150 6.893 ( 1.067 4.131 2.714) 5.056 7.074 ( -1.345 -9.893 2.341) 10.255 7.522 ( -0.057 -2.452 -0.228) 2.463 7.652 ( -0.098 -1.011 0.022) 1.016 8.482 ( 0.002 -6.938 -0.046) 6.938 8.592 ( 0.112 -9.006 0.056) 9.007 10.270 ( -0.048 -2.033 0.237) 2.048 10.377 ( -0.166 -9.242 0.923) 9.289 11.501 ( 0.479 9.555 -1.464) 9.678 11.849 ( -0.032 -6.027 0.089) 6.028 12.896 ( -1.073 6.257 1.936) 6.637 13.020 ( 0.859 11.338 -1.057) 11.419 13.073 ( -0.100 8.201 0.502) 8.217 13.664 ( 0.020 -13.244 0.219) 13.245 13.889 ( 0.795 1.400 -2.539) 3.006 14.145 ( -0.344 -7.349 1.583) 7.526 ======================= Grid point 94 (51/77) ======================= q-point: (-0.20 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -4.495 2.820 0.883) 5.379 1.798 ( -9.521 -0.569 -0.594) 9.556 1.961 ( -13.103 4.145 0.987) 13.778 2.050 ( -4.127 5.926 -2.763) 7.732 2.236 ( -5.396 -2.055 0.421) 5.790 2.356 ( -3.893 0.090 3.815) 5.451 2.610 ( -2.458 3.300 -2.442) 4.785 2.695 ( 2.826 0.321 2.663) 3.896 2.781 ( 3.032 13.376 0.258) 13.717 2.872 ( -0.266 4.412 -1.593) 4.698 2.908 ( 1.449 9.875 -0.275) 9.984 3.045 ( 5.049 6.639 0.280) 8.345 3.128 ( -0.906 3.193 -5.297) 6.251 3.264 ( 1.641 1.627 5.040) 5.544 3.368 ( -2.839 4.810 4.595) 7.233 3.446 ( 1.613 13.768 1.700) 13.966 3.482 ( -0.397 0.468 -2.018) 2.109 3.561 ( 0.826 8.273 -0.805) 8.353 3.645 ( 3.181 6.119 -4.267) 8.110 3.714 ( -1.071 5.671 -1.423) 5.944 3.798 ( 0.089 0.223 -5.601) 5.606 3.879 ( -1.761 3.676 2.867) 4.983 3.982 ( -4.693 1.816 2.349) 5.553 4.021 ( -0.406 3.682 -1.551) 4.016 4.114 ( 0.241 -0.286 0.991) 1.059 4.159 ( 1.226 -0.946 0.306) 1.579 4.212 ( -2.961 -12.173 0.673) 12.546 4.311 ( 0.408 -0.530 -1.249) 1.417 4.365 ( -2.052 -2.351 4.433) 5.422 4.471 ( -1.318 0.286 -1.963) 2.381 4.502 ( 2.415 -6.974 -0.223) 7.383 4.616 ( 6.703 -0.591 3.097) 7.407 4.679 ( 3.029 1.647 1.226) 3.659 4.750 ( 5.586 -2.913 -2.149) 6.656 4.817 ( 2.919 -1.063 -0.392) 3.131 4.846 ( 0.610 -1.460 0.176) 1.592 4.909 ( 0.918 -1.448 -0.846) 1.912 4.969 ( 0.470 -4.029 -1.783) 4.431 5.084 ( 3.154 0.035 3.248) 4.528 5.230 ( 3.949 -2.217 -0.893) 4.616 5.259 ( -1.738 -3.707 3.359) 5.295 5.323 ( 0.621 -2.379 -4.274) 4.931 5.437 ( -1.275 0.036 0.166) 1.286 5.521 ( 4.071 -4.600 3.009) 6.840 5.579 ( -4.049 -0.893 3.494) 5.422 5.644 ( -1.789 -2.629 -0.307) 3.195 5.700 ( -3.036 0.425 -0.278) 3.079 5.772 ( -0.930 -1.344 -1.245) 2.054 6.158 ( -3.561 4.071 -4.431) 6.992 6.221 ( -2.744 5.425 -2.069) 6.422 6.247 ( -1.945 11.690 -2.348) 12.081 6.431 ( -2.314 10.704 2.620) 11.260 6.599 ( -0.654 1.808 -0.253) 1.940 6.687 ( 0.582 9.331 0.449) 9.360 6.741 ( -0.149 6.046 -3.013) 6.757 6.828 ( -0.925 -0.393 0.656) 1.201 6.911 ( -0.100 3.294 1.730) 3.722 7.062 ( -0.844 -6.984 1.672) 7.231 7.520 ( -0.037 -2.571 -0.288) 2.587 7.651 ( 0.014 -1.237 -0.143) 1.245 8.483 ( 0.092 -6.763 0.036) 6.764 8.595 ( 0.139 -8.915 0.005) 8.916 10.270 ( -0.093 -2.036 0.221) 2.050 10.378 ( -0.205 -9.196 0.951) 9.247 11.504 ( 0.557 9.340 -1.552) 9.485 11.849 ( -0.010 -5.969 0.068) 5.969 12.881 ( -1.012 7.608 1.129) 7.758 13.036 ( 1.014 7.736 -0.389) 7.812 13.074 ( -0.240 9.598 0.877) 9.641 13.662 ( -0.178 -13.266 -0.006) 13.267 13.897 ( 1.136 1.700 -2.484) 3.217 14.147 ( -0.359 -7.116 1.565) 7.295 ======================= Grid point 95 (52/77) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.664 ( 0.265 -1.746 1.162) 2.114 1.664 ( 0.265 1.746 1.162) 2.114 1.938 ( -0.196 -4.820 -0.705) 4.875 1.938 ( -0.196 4.820 -0.705) 4.876 2.247 ( -0.150 -5.201 1.154) 5.329 2.247 ( -0.150 5.201 1.154) 5.329 2.706 ( 1.255 -4.939 2.126) 5.521 2.706 ( 1.255 4.939 2.126) 5.521 2.948 ( 0.841 -3.584 -2.183) 4.280 2.948 ( 0.841 3.584 -2.183) 4.280 3.069 ( -1.203 -6.273 0.440) 6.402 3.069 ( -1.203 6.273 0.440) 6.402 3.264 ( -1.597 -9.495 -3.627) 10.289 3.264 ( -1.597 9.495 -3.627) 10.289 3.354 ( -0.542 -1.477 0.271) 1.597 3.354 ( -0.542 1.477 0.271) 1.597 3.679 ( 0.681 -5.238 -0.525) 5.308 3.679 ( 0.681 5.238 -0.525) 5.308 3.801 ( -2.706 -12.180 1.309) 12.546 3.801 ( -2.706 12.180 1.309) 12.546 3.870 ( 2.114 -5.385 0.432) 5.801 3.870 ( 2.114 5.385 0.432) 5.801 3.940 ( 2.876 -8.739 -2.459) 9.523 3.940 ( 2.876 8.739 -2.459) 9.523 4.040 ( -0.152 -2.636 0.003) 2.640 4.040 ( -0.152 2.636 0.003) 2.640 4.266 ( -1.687 -1.637 2.076) 3.136 4.266 ( -1.687 1.637 2.076) 3.136 4.377 ( 0.513 -8.318 4.782) 9.609 4.377 ( 0.513 8.318 4.782) 9.609 4.548 ( 0.905 -5.816 -0.335) 5.896 4.548 ( 0.905 5.816 -0.335) 5.896 4.775 ( -2.945 -3.408 -2.980) 5.400 4.775 ( -2.945 3.408 -2.980) 5.400 4.827 ( 0.452 -1.737 1.118) 2.115 4.827 ( 0.452 1.737 1.118) 2.115 4.901 ( 2.288 -1.614 1.813) 3.336 4.901 ( 2.288 1.614 1.813) 3.336 5.165 ( -0.822 -1.527 -1.379) 2.215 5.165 ( -0.822 1.527 -1.379) 2.215 5.296 ( -2.320 -6.016 -0.443) 6.463 5.296 ( -2.320 6.016 -0.443) 6.463 5.494 ( 0.136 -1.869 1.591) 2.458 5.494 ( 0.136 1.869 1.591) 2.458 5.551 ( 0.306 -1.225 -0.292) 1.296 5.551 ( 0.306 1.225 -0.292) 1.296 5.704 ( 1.344 -3.662 -0.494) 3.932 5.704 ( 1.344 3.662 -0.494) 3.932 6.138 ( 2.018 -3.090 -6.255) 7.263 6.138 ( 2.018 3.090 -6.255) 7.263 6.473 ( -1.958 -5.138 4.518) 7.116 6.473 ( -1.958 5.138 4.518) 7.117 6.687 ( -0.050 -11.297 -1.392) 11.383 6.687 ( -0.050 11.297 -1.392) 11.383 6.866 ( -0.210 -4.401 1.184) 4.562 6.866 ( -0.210 4.401 1.184) 4.563 6.932 ( 0.399 -3.313 0.201) 3.343 6.932 ( 0.399 3.313 0.201) 3.343 7.578 ( 0.291 -5.456 -0.597) 5.496 7.578 ( 0.291 5.456 -0.597) 5.496 8.461 ( 0.000 -3.718 -0.028) 3.718 8.461 ( 0.000 3.718 -0.028) 3.718 10.262 ( -0.195 -2.198 0.563) 2.278 10.262 ( -0.195 2.198 0.563) 2.278 11.691 ( 0.123 -8.667 -0.363) 8.675 11.691 ( 0.123 8.667 -0.363) 8.675 13.017 ( 0.009 -5.130 0.107) 5.131 13.017 ( 0.009 5.130 0.107) 5.131 13.369 ( -0.040 -14.541 -0.080) 14.541 13.369 ( -0.040 14.541 -0.080) 14.541 13.998 ( -0.001 -6.778 0.060) 6.778 13.998 ( -0.001 6.778 0.060) 6.778 ======================= Grid point 97 (53/77) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 6.139 -3.454 0.269) 7.050 1.751 ( 6.139 3.455 0.269) 7.050 2.048 ( 9.531 -3.135 -0.215) 10.036 2.048 ( 9.531 3.136 -0.215) 10.036 2.299 ( 5.519 -6.263 1.577) 8.495 2.299 ( 5.519 6.263 1.577) 8.495 2.728 ( -0.540 -5.019 0.680) 5.093 2.728 ( -0.540 5.019 0.680) 5.093 2.943 ( -0.302 -6.299 -0.413) 6.320 2.943 ( -0.302 6.299 -0.413) 6.320 3.050 ( -0.824 -6.175 0.447) 6.246 3.050 ( -0.824 6.175 0.447) 6.246 3.166 ( -6.117 -8.042 -3.823) 10.803 3.166 ( -6.117 8.042 -3.823) 10.803 3.355 ( 1.245 -3.973 -0.051) 4.164 3.355 ( 1.245 3.973 -0.051) 4.164 3.668 ( -2.365 -3.986 1.133) 4.771 3.668 ( -2.365 3.986 1.133) 4.771 3.778 ( 0.091 -8.734 0.578) 8.754 3.778 ( 0.091 8.734 0.578) 8.754 3.901 ( 1.585 -8.793 -0.758) 8.967 3.901 ( 1.585 8.793 -0.758) 8.967 4.019 ( 3.307 -4.457 -4.146) 6.927 4.019 ( 3.307 4.457 -4.146) 6.927 4.056 ( 3.625 -6.892 2.090) 8.063 4.056 ( 3.625 6.892 2.090) 8.063 4.260 ( 0.025 -4.962 2.990) 5.793 4.260 ( 0.025 4.962 2.990) 5.793 4.401 ( -0.607 -6.805 4.161) 8.000 4.401 ( -0.607 6.805 4.161) 8.000 4.542 ( -0.607 -6.051 -2.673) 6.643 4.542 ( -0.607 6.051 -2.673) 6.643 4.651 ( -6.443 -3.916 -0.802) 7.582 4.651 ( -6.443 3.916 -0.802) 7.582 4.834 ( -0.648 -1.580 0.628) 1.820 4.834 ( -0.648 1.580 0.628) 1.820 4.932 ( -3.386 -0.581 -0.371) 3.455 4.932 ( -3.386 0.581 -0.371) 3.455 5.128 ( -1.280 -0.842 0.493) 1.610 5.128 ( -1.280 0.842 0.493) 1.610 5.201 ( -3.881 -5.693 0.127) 6.891 5.201 ( -3.881 5.693 0.127) 6.891 5.488 ( -0.483 -0.628 2.050) 2.198 5.488 ( -0.483 0.628 2.050) 2.198 5.586 ( 1.977 -4.717 -0.069) 5.115 5.586 ( 1.977 4.717 -0.069) 5.115 5.757 ( 3.425 -1.901 -0.727) 3.984 5.757 ( 3.425 1.901 -0.727) 3.984 6.207 ( 6.855 -4.643 -6.781) 10.702 6.207 ( 6.855 4.643 -6.781) 10.702 6.469 ( -0.546 -1.942 3.944) 4.430 6.469 ( -0.546 1.942 3.944) 4.430 6.692 ( 1.222 -13.840 -1.309) 13.955 6.692 ( 1.222 13.840 -1.309) 13.955 6.867 ( -0.450 -5.460 1.189) 5.606 6.867 ( -0.450 5.460 1.189) 5.606 6.936 ( -0.265 -4.370 0.494) 4.406 6.936 ( -0.265 4.370 0.494) 4.406 7.582 ( 0.317 -5.460 -0.472) 5.489 7.582 ( 0.317 5.460 -0.472) 5.489 8.459 ( -0.175 -3.674 -0.018) 3.678 8.459 ( -0.175 3.674 -0.018) 3.678 10.261 ( -0.192 -2.150 0.551) 2.228 10.261 ( -0.192 2.150 0.551) 2.228 11.691 ( 0.039 -8.695 -0.322) 8.701 11.691 ( 0.039 8.695 -0.322) 8.701 13.020 ( 0.228 -4.930 0.040) 4.935 13.020 ( 0.228 4.930 0.040) 4.935 13.368 ( -0.044 -14.564 -0.050) 14.564 13.368 ( -0.044 14.564 -0.050) 14.564 13.993 ( -0.380 -6.889 0.072) 6.900 13.993 ( -0.380 6.889 0.072) 6.900 ======================= Grid point 99 (54/77) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 2.742 -3.551 -0.106) 4.488 1.850 ( 2.742 3.551 -0.106) 4.488 2.213 ( 5.311 -3.065 1.731) 6.371 2.213 ( 5.311 3.065 1.731) 6.371 2.506 ( 12.555 -6.855 0.052) 14.305 2.506 ( 12.555 6.855 0.052) 14.305 2.663 ( -5.933 -4.833 -0.864) 7.700 2.663 ( -5.933 4.833 -0.864) 7.700 2.879 ( -9.099 -4.280 -4.139) 10.874 2.879 ( -9.099 4.280 -4.139) 10.874 2.991 ( -0.029 -3.282 0.081) 3.284 2.991 ( -0.029 3.283 0.081) 3.284 3.125 ( 2.722 -8.481 2.947) 9.381 3.125 ( 2.722 8.481 2.947) 9.381 3.400 ( 2.692 -6.396 -0.915) 6.999 3.400 ( 2.692 6.396 -0.915) 6.999 3.624 ( -1.965 -4.731 2.409) 5.661 3.624 ( -1.965 4.731 2.409) 5.661 3.785 ( -0.103 -4.988 0.477) 5.012 3.785 ( -0.103 4.988 0.477) 5.012 3.918 ( 0.653 -8.994 -1.213) 9.099 3.918 ( 0.653 8.994 -1.213) 9.099 4.037 ( 1.257 -0.240 -2.451) 2.766 4.037 ( 1.257 0.240 -2.451) 2.766 4.160 ( 1.629 -7.643 2.754) 8.286 4.160 ( 1.629 7.643 2.754) 8.286 4.281 ( 0.971 -5.271 -2.666) 5.987 4.281 ( 0.971 5.271 -2.666) 5.987 4.376 ( -3.132 -7.070 2.629) 8.168 4.376 ( -3.132 7.070 2.629) 8.168 4.531 ( 1.401 -3.235 -2.213) 4.163 4.531 ( 1.401 3.235 -2.213) 4.163 4.576 ( 0.992 -1.463 0.716) 1.907 4.576 ( 0.992 1.463 0.716) 1.907 4.751 ( -9.180 -2.569 -0.643) 9.554 4.751 ( -9.180 2.569 -0.643) 9.554 4.825 ( -0.660 -0.641 -0.111) 0.927 4.825 ( -0.660 0.642 -0.111) 0.927 5.134 ( -0.050 -4.773 2.387) 5.337 5.134 ( -0.050 4.773 2.387) 5.337 5.180 ( 0.099 -2.873 1.098) 3.078 5.180 ( 0.099 2.873 1.098) 3.078 5.486 ( -0.948 -1.709 1.204) 2.296 5.486 ( -0.948 1.709 1.204) 2.296 5.622 ( 1.110 -3.897 1.903) 4.477 5.622 ( 1.110 3.897 1.903) 4.477 5.808 ( 1.510 -1.619 -1.244) 2.539 5.808 ( 1.510 1.619 -1.244) 2.539 6.293 ( 4.276 -5.895 -6.746) 9.927 6.293 ( 4.276 5.895 -6.746) 9.927 6.489 ( 0.736 -5.335 1.806) 5.680 6.489 ( 0.736 5.335 1.806) 5.680 6.713 ( 1.045 -16.040 -0.786) 16.093 6.713 ( 1.045 16.040 -0.786) 16.093 6.862 ( -0.403 -4.879 1.056) 5.008 6.862 ( -0.403 4.879 1.056) 5.008 6.926 ( -1.049 -5.346 1.020) 5.542 6.926 ( -1.049 5.346 1.020) 5.542 7.584 ( 0.047 -5.430 -0.274) 5.437 7.584 ( 0.047 5.430 -0.274) 5.437 8.456 ( -0.099 -3.635 0.006) 3.636 8.456 ( -0.099 3.635 0.006) 3.636 10.261 ( -0.120 -2.081 0.530) 2.151 10.261 ( -0.120 2.081 0.530) 2.151 11.689 ( 0.010 -8.731 -0.257) 8.735 11.689 ( 0.010 8.732 -0.257) 8.735 13.024 ( 0.129 -4.785 -0.070) 4.787 13.024 ( 0.129 4.785 -0.070) 4.787 13.368 ( 0.029 -14.927 -0.003) 14.927 13.368 ( 0.029 14.927 -0.003) 14.927 13.986 ( -0.265 -7.166 0.093) 7.171 13.986 ( -0.265 7.166 0.093) 7.171 ======================= Grid point 101 (55/77) ======================= q-point: (-0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -2.864 -4.177 -0.119) 5.066 1.848 ( -2.864 4.177 -0.119) 5.066 2.264 ( -2.396 -2.660 2.731) 4.503 2.264 ( -2.396 2.660 2.731) 4.503 2.425 ( -14.620 -4.255 -0.849) 15.251 2.425 ( -14.620 4.255 -0.849) 15.251 2.662 ( 0.066 -2.627 -1.756) 3.161 2.662 ( 0.066 2.627 -1.756) 3.161 2.810 ( 7.631 -3.118 -2.479) 8.608 2.810 ( 7.631 3.118 -2.479) 8.608 3.021 ( 1.626 -8.094 1.508) 8.392 3.021 ( 1.626 8.094 1.508) 8.392 3.220 ( 4.584 -11.816 0.836) 12.701 3.220 ( 4.584 11.816 0.836) 12.701 3.414 ( -1.120 -7.655 -1.367) 7.856 3.414 ( -1.120 7.655 -1.367) 7.856 3.638 ( 1.824 -4.235 2.689) 5.338 3.638 ( 1.824 4.235 2.689) 5.338 3.773 ( -1.011 -1.854 0.339) 2.139 3.773 ( -1.011 1.854 0.339) 2.139 3.920 ( -0.371 -8.691 -0.259) 8.703 3.920 ( -0.371 8.691 -0.259) 8.703 4.028 ( -1.993 -4.957 -3.411) 6.339 4.028 ( -1.993 4.957 -3.411) 6.339 4.097 ( -4.687 -2.533 0.632) 5.365 4.097 ( -4.687 2.533 0.632) 5.365 4.248 ( -2.176 -1.969 0.703) 3.018 4.248 ( -2.176 1.969 0.703) 3.018 4.380 ( 0.544 -5.618 2.220) 6.065 4.380 ( 0.544 5.618 2.220) 6.065 4.522 ( -1.451 -2.103 -1.670) 3.052 4.522 ( -1.451 2.103 -1.670) 3.052 4.630 ( 3.558 -0.192 -0.714) 3.634 4.630 ( 3.558 0.192 -0.714) 3.634 4.748 ( 7.076 -2.897 -0.434) 7.658 4.748 ( 7.076 2.897 -0.434) 7.658 4.835 ( 2.970 -2.475 -0.354) 3.882 4.835 ( 2.970 2.475 -0.354) 3.882 5.154 ( -0.340 -5.423 1.432) 5.619 5.154 ( -0.340 5.423 1.432) 5.619 5.178 ( 0.480 -3.422 2.590) 4.318 5.178 ( 0.480 3.422 2.590) 4.318 5.465 ( -1.373 -0.697 0.683) 1.685 5.465 ( -1.373 0.697 0.683) 1.685 5.639 ( -1.061 -2.477 2.500) 3.675 5.639 ( -1.061 2.477 2.500) 3.675 5.793 ( -2.069 -1.771 -1.668) 3.194 5.793 ( -2.069 1.771 -1.668) 3.194 6.289 ( -1.238 -4.238 -6.270) 7.669 6.289 ( -1.238 4.238 -6.270) 7.669 6.503 ( -0.259 -7.607 1.218) 7.708 6.503 ( -0.259 7.607 1.218) 7.708 6.717 ( -0.178 -13.451 -0.837) 13.478 6.717 ( -0.178 13.451 -0.837) 13.478 6.867 ( 0.020 -3.817 1.615) 4.145 6.867 ( 0.020 3.817 1.615) 4.145 6.911 ( -0.547 -4.804 0.663) 4.880 6.911 ( -0.547 4.804 0.663) 4.880 7.582 ( -0.128 -5.400 -0.276) 5.409 7.582 ( -0.128 5.400 -0.276) 5.409 8.456 ( 0.115 -3.664 0.006) 3.666 8.456 ( 0.115 3.664 0.006) 3.666 10.262 ( -0.079 -2.089 0.530) 2.157 10.262 ( -0.079 2.089 0.530) 2.157 11.689 ( 0.077 -8.726 -0.257) 8.730 11.689 ( 0.077 8.726 -0.257) 8.731 13.024 ( -0.153 -4.882 -0.069) 4.885 13.024 ( -0.153 4.882 -0.069) 4.885 13.369 ( 0.072 -15.116 -0.003) 15.116 13.369 ( 0.072 15.116 -0.003) 15.116 13.986 ( 0.191 -7.224 0.094) 7.227 13.986 ( 0.191 7.224 0.094) 7.227 ======================= Grid point 103 (56/77) ======================= q-point: (-0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -6.674 -3.216 0.258) 7.413 1.742 ( -6.674 3.216 0.258) 7.413 2.070 ( -11.827 -4.422 -0.295) 12.630 2.070 ( -11.827 4.423 -0.295) 12.630 2.273 ( -2.960 -5.644 1.658) 6.585 2.273 ( -2.960 5.644 1.658) 6.585 2.671 ( 1.214 -2.334 0.813) 2.754 2.671 ( 1.214 2.334 0.813) 2.754 2.921 ( 3.511 -2.299 -2.388) 4.828 2.921 ( 3.511 2.299 -2.388) 4.828 3.066 ( 1.453 -9.010 1.350) 9.225 3.066 ( 1.453 9.010 1.350) 9.225 3.284 ( 1.748 -11.992 -3.016) 12.489 3.284 ( 1.748 11.992 -3.016) 12.489 3.368 ( -1.911 -6.189 0.510) 6.498 3.368 ( -1.911 6.189 0.510) 6.498 3.675 ( 0.278 -3.704 -0.332) 3.729 3.675 ( 0.278 3.704 -0.332) 3.729 3.786 ( 2.689 -7.234 0.934) 7.774 3.786 ( 2.689 7.234 0.934) 7.774 3.878 ( -3.286 -10.181 -0.012) 10.699 3.878 ( -3.286 10.181 -0.012) 10.699 3.954 ( -1.944 -3.961 -2.576) 5.109 3.954 ( -1.944 3.961 -2.576) 5.109 4.047 ( -1.360 -2.380 1.287) 3.028 4.047 ( -1.360 2.380 1.287) 3.028 4.264 ( 1.726 -3.290 1.957) 4.199 4.264 ( 1.726 3.290 1.957) 4.199 4.361 ( -2.091 -4.650 2.734) 5.785 4.361 ( -2.091 4.650 2.734) 5.785 4.526 ( 1.145 -4.167 -0.019) 4.321 4.526 ( 1.145 4.167 -0.019) 4.321 4.722 ( 5.900 -0.681 -2.448) 6.424 4.722 ( 5.900 0.681 -2.448) 6.424 4.818 ( 1.435 -2.437 1.239) 3.088 4.818 ( 1.435 2.437 1.239) 3.088 4.906 ( -0.187 -1.028 -0.692) 1.253 4.906 ( -0.187 1.028 -0.692) 1.253 5.160 ( 1.385 -4.844 0.598) 5.073 5.160 ( 1.385 4.844 0.598) 5.073 5.253 ( 4.957 -2.997 0.803) 5.848 5.253 ( 4.957 2.997 0.803) 5.848 5.455 ( 0.667 -1.760 0.756) 2.028 5.455 ( 0.667 1.760 0.756) 2.028 5.599 ( -3.473 -1.881 1.207) 4.130 5.599 ( -3.473 1.881 1.207) 4.130 5.729 ( -2.797 -2.282 -1.133) 3.783 5.729 ( -2.797 2.282 -1.133) 3.783 6.198 ( -3.490 -1.457 -6.246) 7.302 6.198 ( -3.490 1.457 -6.246) 7.302 6.492 ( -1.826 -7.524 3.291) 8.413 6.492 ( -1.826 7.524 3.291) 8.413 6.703 ( -0.542 -10.777 -1.409) 10.882 6.703 ( -0.542 10.777 -1.409) 10.882 6.867 ( -0.712 -2.524 1.784) 3.172 6.867 ( -0.712 2.524 1.784) 3.172 6.919 ( 0.789 -2.991 0.106) 3.095 6.919 ( 0.789 2.991 0.106) 3.095 7.578 ( 0.020 -5.414 -0.479) 5.435 7.578 ( 0.020 5.414 -0.479) 5.435 8.459 ( 0.172 -3.709 -0.018) 3.713 8.459 ( 0.172 3.709 -0.018) 3.713 10.263 ( -0.124 -2.162 0.551) 2.235 10.263 ( -0.124 2.162 0.551) 2.235 11.690 ( 0.147 -8.687 -0.322) 8.694 11.690 ( 0.147 8.687 -0.322) 8.694 13.019 ( -0.226 -5.108 0.040) 5.113 13.019 ( -0.226 5.108 0.040) 5.113 13.370 ( 0.031 -14.880 -0.051) 14.880 13.370 ( 0.031 14.880 -0.051) 14.880 13.993 ( 0.353 -6.984 0.073) 6.993 13.993 ( 0.353 6.984 0.073) 6.993 ======================= Grid point 130 (57/77) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( -0.000 0.000 -0.000) 0.000 1.002 ( -0.000 0.000 0.000) 0.000 1.039 ( 0.000 0.000 0.000) 0.000 1.051 ( -0.000 0.000 -0.000) 0.000 1.375 ( 0.000 0.000 -0.000) 0.000 1.394 ( -0.000 0.000 0.000) 0.000 1.401 ( -0.000 0.000 0.000) 0.000 1.562 ( -0.000 0.000 -0.000) 0.000 1.828 ( 0.000 0.000 -0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.974 ( -0.000 0.000 0.000) 0.000 2.154 ( -0.000 0.000 0.000) 0.000 2.229 ( -0.000 0.000 0.000) 0.000 2.357 ( -0.000 0.000 0.000) 0.000 2.465 ( -0.000 0.000 0.000) 0.000 2.489 ( -0.000 0.000 0.000) 0.000 2.665 ( -0.000 0.000 0.000) 0.000 2.801 ( -0.000 0.000 0.000) 0.000 2.890 ( -0.000 0.000 0.000) 0.000 3.277 ( -0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 0.000) 0.000 3.454 ( -0.000 0.000 -0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.624 ( -0.000 0.000 0.000) 0.000 3.768 ( -0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.045 ( -0.000 0.000 -0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.379 ( -0.000 0.000 0.000) 0.000 4.471 ( -0.000 0.000 0.000) 0.000 4.542 ( -0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 -0.000) 0.000 4.586 ( -0.000 0.000 0.000) 0.000 4.596 ( -0.000 0.000 0.000) 0.000 4.655 ( -0.000 0.000 -0.000) 0.000 4.717 ( -0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 -0.000) 0.000 4.992 ( -0.000 0.000 0.000) 0.000 5.116 ( 0.000 0.000 0.000) 0.000 5.161 ( -0.000 0.000 -0.000) 0.000 5.358 ( -0.000 0.000 0.000) 0.000 5.527 ( -0.000 0.000 0.000) 0.000 5.540 ( -0.000 0.000 0.000) 0.000 5.615 ( -0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.837 ( -0.000 0.000 0.000) 0.000 5.875 ( -0.000 0.000 -0.000) 0.000 6.173 ( -0.000 0.000 0.000) 0.000 6.334 ( -0.000 0.000 0.000) 0.000 6.513 ( -0.000 0.000 0.000) 0.000 6.736 ( -0.000 0.000 0.000) 0.000 7.025 ( -0.000 0.000 0.000) 0.000 7.239 ( -0.000 0.000 0.000) 0.000 7.385 ( -0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 -0.000) 0.000 7.799 ( -0.000 0.000 0.000) 0.000 7.834 ( -0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 -0.000) 0.000 9.696 ( -0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 -0.000) 0.000 9.851 ( -0.000 0.000 0.000) 0.000 10.358 ( -0.000 0.000 0.000) 0.000 10.805 ( -0.000 0.000 0.000) 0.000 11.216 ( -0.000 0.000 0.000) 0.000 12.472 ( -0.000 0.000 0.000) 0.000 13.364 ( 0.000 0.000 -0.000) 0.000 13.370 ( -0.000 0.000 0.000) 0.000 13.598 ( -0.000 0.000 0.000) 0.000 13.738 ( -0.000 0.000 0.000) 0.000 14.098 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 132 (58/77) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 1.608 0.000 -23.279) 23.334 0.965 ( 4.872 0.000 -20.982) 21.540 1.116 ( -1.401 0.000 15.442) 15.506 1.225 ( -0.140 0.000 19.718) 19.719 1.327 ( -6.000 0.000 13.826) 15.071 1.422 ( 3.422 0.000 -10.841) 11.368 1.552 ( 8.016 0.000 -9.248) 12.238 1.664 ( 2.280 0.000 14.680) 14.856 1.890 ( 0.283 0.000 0.413) 0.500 1.974 ( -6.080 0.000 4.127) 7.349 2.009 ( 17.972 0.000 -24.180) 30.128 2.128 ( -2.958 0.000 -6.194) 6.864 2.262 ( 7.015 0.000 10.422) 12.563 2.366 ( 3.320 0.000 4.886) 5.907 2.499 ( 8.346 0.000 2.191) 8.629 2.506 ( 1.542 0.000 0.309) 1.573 2.647 ( -1.685 0.000 0.065) 1.687 2.892 ( 0.199 0.000 -0.250) 0.320 2.897 ( 4.087 0.000 -1.729) 4.438 3.200 ( -2.192 0.000 -4.631) 5.123 3.339 ( 7.199 0.000 -2.222) 7.534 3.501 ( 0.881 0.000 11.155) 11.190 3.619 ( 0.039 0.000 -0.628) 0.629 3.625 ( -0.019 0.000 0.295) 0.296 3.765 ( -0.119 0.000 -0.444) 0.460 3.885 ( -0.042 0.000 -0.067) 0.079 3.914 ( -9.365 0.000 2.000) 9.576 3.997 ( 0.075 0.000 0.234) 0.246 4.028 ( -5.303 0.000 6.176) 8.140 4.276 ( -3.825 0.000 -4.477) 5.889 4.413 ( -9.401 0.000 -17.118) 19.530 4.533 ( -7.008 0.000 -3.460) 7.816 4.547 ( 0.388 0.000 0.397) 0.555 4.585 ( -0.104 0.000 0.000) 0.104 4.596 ( 0.008 0.000 -0.007) 0.010 4.605 ( -4.520 0.000 9.483) 10.505 4.743 ( 5.960 0.000 1.495) 6.145 4.859 ( -4.230 0.000 0.265) 4.238 4.989 ( 9.160 0.000 -7.438) 11.799 5.025 ( 3.000 0.000 -4.325) 5.264 5.101 ( -2.084 0.000 5.198) 5.600 5.232 ( 3.666 0.000 3.658) 5.179 5.326 ( -2.878 0.000 12.138) 12.474 5.496 ( -2.599 0.000 -4.052) 4.813 5.526 ( -0.041 0.000 -0.095) 0.103 5.590 ( -1.787 0.000 -2.321) 2.930 5.762 ( -3.863 0.000 -5.570) 6.778 5.904 ( 0.601 0.000 4.418) 4.458 5.958 ( 5.918 0.000 5.169) 7.858 6.183 ( 3.026 0.000 -6.686) 7.339 6.345 ( -9.519 0.000 5.580) 11.034 6.517 ( 5.036 0.000 -4.331) 6.642 6.553 ( -1.812 0.000 5.367) 5.665 6.811 ( -0.281 0.000 0.670) 0.726 7.315 ( 2.781 0.000 5.305) 5.990 7.360 ( 0.136 0.000 1.159) 1.167 7.798 ( -0.032 0.000 -0.012) 0.034 7.820 ( 20.291 0.000 -19.066) 27.843 7.834 ( -0.026 0.000 0.012) 0.028 9.447 ( -14.922 0.000 22.656) 27.129 9.697 ( 0.067 0.000 0.005) 0.067 9.735 ( -0.855 0.000 0.826) 1.188 9.966 ( 8.015 0.000 -8.592) 11.750 10.332 ( -2.149 0.000 -1.780) 2.791 10.794 ( -1.218 0.000 -0.458) 1.301 10.980 ( -18.065 0.000 -3.907) 18.482 12.473 ( 0.030 0.000 -0.004) 0.030 13.364 ( -0.017 0.000 -0.032) 0.037 13.370 ( -0.015 0.000 0.032) 0.035 13.596 ( -0.219 0.000 -0.197) 0.295 13.753 ( 1.206 0.000 -0.158) 1.216 14.097 ( -0.033 0.000 0.001) 0.033 ======================= Grid point 133 (59/77) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 18.458 0.000 0.730) 18.472 1.000 ( 8.091 0.000 -16.675) 18.534 1.095 ( -7.310 0.000 12.025) 14.072 1.299 ( -1.554 0.000 10.431) 10.546 1.321 ( -1.601 0.000 10.428) 10.550 1.421 ( 1.450 0.000 -7.266) 7.409 1.605 ( 3.261 0.000 -12.960) 13.364 1.660 ( -12.340 0.000 9.163) 15.370 1.797 ( -1.117 0.000 1.087) 1.558 1.897 ( 0.176 0.000 0.257) 0.312 2.020 ( -1.631 0.000 -2.881) 3.311 2.266 ( 12.721 0.000 -18.633) 22.561 2.358 ( 2.767 0.000 4.380) 5.181 2.521 ( 7.182 0.000 -3.733) 8.094 2.550 ( 2.444 0.000 0.357) 2.470 2.603 ( -2.516 0.000 -0.132) 2.520 2.717 ( -8.897 0.000 3.312) 9.494 2.894 ( 0.102 0.000 -0.147) 0.179 3.028 ( 20.026 0.000 18.180) 27.047 3.318 ( 11.753 0.000 0.571) 11.767 3.514 ( -5.206 0.000 4.284) 6.742 3.543 ( 9.697 0.000 -1.454) 9.805 3.619 ( 0.260 0.000 -0.402) 0.479 3.624 ( -0.260 0.000 0.184) 0.318 3.683 ( -13.902 0.000 -2.502) 14.126 3.761 ( -0.057 0.000 -0.254) 0.260 3.884 ( -0.022 0.000 -0.040) 0.046 3.961 ( -2.960 0.000 7.481) 8.045 4.000 ( 0.041 0.000 0.140) 0.145 4.056 ( -11.470 0.000 -5.623) 12.774 4.096 ( -10.293 0.000 -14.274) 17.598 4.390 ( -1.745 0.000 -1.038) 2.030 4.557 ( 0.256 0.000 0.241) 0.352 4.582 ( -2.256 0.000 0.967) 2.454 4.583 ( -0.055 0.000 0.024) 0.060 4.595 ( -0.024 0.000 -0.028) 0.037 4.849 ( 2.277 0.000 0.305) 2.297 4.894 ( 6.325 0.000 5.210) 8.194 5.013 ( 0.414 0.000 -5.004) 5.021 5.087 ( 0.322 0.000 -0.328) 0.459 5.170 ( 5.260 0.000 0.412) 5.276 5.253 ( -2.382 0.000 8.078) 8.422 5.332 ( -2.650 0.000 -1.960) 3.296 5.416 ( -5.553 0.000 -6.005) 8.178 5.509 ( -0.919 0.000 0.308) 0.969 5.525 ( -0.025 0.000 -0.059) 0.064 5.593 ( -6.404 0.000 -0.329) 6.412 5.752 ( -4.038 0.000 -0.489) 4.067 6.088 ( 2.211 0.000 2.001) 2.982 6.243 ( 4.575 0.000 -6.607) 8.036 6.357 ( 6.174 0.000 2.181) 6.548 6.520 ( -9.131 0.000 7.996) 12.137 6.562 ( 1.613 0.000 -2.943) 3.356 7.009 ( 7.823 0.000 6.528) 10.189 7.357 ( 0.159 0.000 0.430) 0.458 7.496 ( 9.379 0.000 11.615) 14.929 7.797 ( -0.019 0.000 -0.008) 0.021 7.834 ( -0.016 0.000 0.007) 0.018 7.887 ( -1.197 0.000 -20.333) 20.368 9.358 ( -4.157 0.000 14.281) 14.874 9.698 ( 0.041 0.000 0.003) 0.042 9.727 ( -0.210 0.000 0.048) 0.215 10.058 ( 4.460 0.000 -3.059) 5.408 10.242 ( -4.235 0.000 -5.985) 7.332 10.629 ( -7.928 0.000 -2.001) 8.176 10.804 ( -0.676 0.000 0.168) 0.697 12.473 ( 0.018 0.000 -0.002) 0.019 13.364 ( -0.010 0.000 -0.019) 0.022 13.370 ( -0.009 0.000 0.019) 0.021 13.591 ( -0.091 0.000 -0.321) 0.333 13.773 ( 0.617 0.000 -0.018) 0.618 14.097 ( -0.020 0.000 0.001) 0.020 ======================= Grid point 136 (60/77) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -0.000 4.427 -0.000) 4.427 1.061 ( 0.000 3.054 0.000) 3.054 1.175 ( -0.000 9.796 0.000) 9.796 1.240 ( 0.000 13.619 -0.000) 13.619 1.552 ( 0.000 10.077 0.000) 10.077 1.592 ( -0.000 13.791 -0.000) 13.791 1.606 ( -0.000 17.470 0.000) 17.470 1.765 ( -0.000 20.446 0.000) 20.446 1.941 ( 0.000 12.828 -0.000) 12.828 2.090 ( 0.000 19.176 0.000) 19.176 2.110 ( 0.000 12.728 0.000) 12.728 2.256 ( -0.000 9.314 0.000) 9.314 2.308 ( -0.000 8.935 0.000) 8.935 2.328 ( -0.000 -1.767 0.000) 1.767 2.452 ( -0.000 2.279 0.000) 2.279 2.626 ( -0.000 11.537 0.000) 11.537 2.801 ( -0.000 1.262 0.000) 1.262 2.853 ( 0.000 12.567 0.000) 12.567 3.022 ( -0.000 9.863 0.000) 9.863 3.241 ( 0.000 -2.331 0.000) 2.331 3.295 ( -0.000 3.041 0.000) 3.041 3.458 ( -0.000 0.963 -0.000) 0.963 3.663 ( -0.000 2.058 0.000) 2.058 3.681 ( 0.000 4.470 0.000) 4.470 3.846 ( -0.000 5.722 0.000) 5.722 3.905 ( -0.000 -1.029 0.000) 1.029 3.920 ( -0.000 3.081 0.000) 3.081 4.059 ( -0.000 2.274 0.000) 2.274 4.217 ( 0.000 9.306 -0.000) 9.306 4.402 ( -0.000 1.997 0.000) 1.997 4.457 ( -0.000 0.326 0.000) 0.326 4.561 ( 0.000 2.309 0.000) 2.309 4.568 ( -0.000 -2.028 -0.000) 2.028 4.657 ( -0.000 1.622 0.000) 1.622 4.666 ( 0.000 5.238 -0.000) 5.238 4.708 ( 0.000 10.134 0.000) 10.134 4.738 ( -0.000 3.965 0.000) 3.965 4.842 ( -0.000 -1.154 0.000) 1.154 5.003 ( 0.000 1.012 -0.000) 1.012 5.052 ( -0.000 6.491 -0.000) 6.491 5.129 ( 0.000 1.390 0.000) 1.390 5.198 ( -0.000 4.069 0.000) 4.069 5.353 ( -0.000 -0.377 0.000) 0.377 5.534 ( -0.000 0.387 0.000) 0.387 5.592 ( -0.000 3.744 0.000) 3.744 5.609 ( 0.000 -0.563 0.000) 0.563 5.666 ( 0.000 -1.579 0.000) 1.579 5.795 ( -0.000 -3.207 0.000) 3.207 5.873 ( -0.000 0.243 0.000) 0.243 6.143 ( -0.000 -2.856 0.000) 2.856 6.360 ( 0.000 1.469 0.000) 1.469 6.437 ( -0.000 -7.099 0.000) 7.099 6.628 ( -0.000 -9.788 0.000) 9.788 6.893 ( -0.000 -10.816 0.000) 10.816 7.013 ( 0.000 -17.109 0.000) 17.109 7.262 ( -0.000 -7.694 0.000) 7.694 7.302 ( 0.000 -11.662 0.000) 11.662 7.752 ( -0.000 -4.176 0.000) 4.176 7.977 ( -0.000 5.524 0.000) 5.524 9.159 ( 0.000 -29.825 0.000) 29.825 9.634 ( -0.000 0.515 0.000) 0.515 9.863 ( -0.000 -10.693 0.000) 10.693 9.879 ( -0.000 11.587 0.000) 11.587 10.541 ( -0.000 12.334 0.000) 12.334 10.980 ( -0.000 -17.552 0.000) 17.552 11.149 ( -0.000 28.314 0.000) 28.314 12.314 ( -0.000 -14.334 0.000) 14.334 13.174 ( -0.000 -13.195 0.000) 13.195 13.285 ( -0.000 -4.813 0.000) 4.813 13.720 ( -0.000 7.235 0.000) 7.235 13.929 ( -0.000 13.316 0.000) 13.316 14.133 ( -0.000 2.202 0.000) 2.202 ======================= Grid point 138 (61/77) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 4.790 12.025 -15.883) 20.490 1.201 ( 4.422 11.173 -2.338) 12.241 1.236 ( -0.866 11.901 9.072) 14.990 1.384 ( 4.723 13.771 11.803) 18.742 1.556 ( 2.083 12.251 -4.116) 13.091 1.583 ( -2.742 15.761 6.190) 17.154 1.694 ( 5.737 8.490 2.392) 10.522 1.784 ( 1.561 18.696 -2.569) 18.936 2.014 ( -7.236 10.253 1.281) 12.615 2.060 ( 2.621 7.827 -9.528) 12.606 2.107 ( 8.649 10.562 -9.712) 16.754 2.228 ( -2.488 8.962 -3.618) 9.980 2.325 ( 4.908 7.408 7.146) 11.403 2.366 ( 4.507 3.949 5.666) 8.247 2.522 ( 5.147 6.243 -0.554) 8.110 2.674 ( 5.515 12.000 4.749) 14.034 2.827 ( 1.101 12.028 -0.345) 12.083 2.904 ( 2.632 2.634 -3.277) 4.960 3.014 ( -0.629 9.259 0.649) 9.303 3.201 ( 1.284 0.882 -4.394) 4.662 3.337 ( 5.511 0.617 -1.550) 5.758 3.463 ( -1.117 -0.480 7.185) 7.287 3.644 ( -1.558 0.132 -1.517) 2.179 3.671 ( -0.953 3.817 0.024) 3.935 3.837 ( -5.793 0.922 1.927) 6.174 3.844 ( -1.297 3.558 0.769) 3.864 3.922 ( 0.449 3.283 0.338) 3.330 4.039 ( -3.406 1.823 3.019) 4.903 4.143 ( -6.918 8.453 4.273) 11.729 4.291 ( -2.984 2.354 -4.696) 6.041 4.390 ( -8.983 -0.396 -12.045) 15.031 4.558 ( -3.265 3.667 -3.016) 5.762 4.597 ( -2.109 -0.280 1.856) 2.823 4.622 ( 0.887 2.864 4.619) 5.507 4.665 ( -1.328 5.893 -0.869) 6.103 4.706 ( -2.231 8.605 0.393) 8.898 4.754 ( 5.539 2.656 0.728) 6.186 4.876 ( -5.671 2.143 1.750) 6.310 4.998 ( 9.497 0.169 -1.752) 9.659 5.037 ( 1.514 2.436 -9.108) 9.549 5.122 ( -2.334 2.336 5.200) 6.160 5.245 ( 2.269 2.326 1.764) 3.697 5.331 ( -2.158 0.421 11.519) 11.727 5.487 ( -2.798 -0.748 -4.174) 5.081 5.574 ( -1.747 -1.143 -1.327) 2.473 5.627 ( 2.649 6.025 -0.892) 6.642 5.745 ( -4.667 -0.951 -3.115) 5.691 5.891 ( 3.126 -1.103 4.533) 5.615 5.927 ( 4.331 -2.734 4.019) 6.511 6.142 ( 2.572 -4.071 -4.987) 6.933 6.329 ( -10.126 -1.557 3.272) 10.754 6.454 ( 5.023 -5.871 -3.381) 8.434 6.489 ( 1.330 -4.939 1.600) 5.359 6.728 ( -0.181 -7.758 0.001) 7.761 7.125 ( 2.028 -16.425 4.698) 17.203 7.266 ( 0.282 -7.333 0.512) 7.356 7.496 ( 10.774 -16.297 -7.361) 20.877 7.770 ( 2.093 -3.461 -0.790) 4.121 8.006 ( 2.382 2.492 -4.339) 5.541 9.148 ( -1.455 -23.751 6.068) 24.557 9.609 ( -2.535 -3.191 3.385) 5.298 9.875 ( -0.243 12.230 0.237) 12.234 9.937 ( 6.608 -8.295 -1.746) 10.748 10.518 ( -2.239 12.724 0.971) 12.956 10.790 ( -15.789 -13.416 -3.923) 21.088 11.113 ( -2.935 27.332 0.459) 27.493 12.314 ( 0.040 -14.339 -0.038) 14.339 13.174 ( -0.008 -13.068 0.092) 13.068 13.276 ( -0.869 -5.499 0.414) 5.582 13.726 ( 0.538 7.406 -0.816) 7.470 13.937 ( 0.667 12.985 0.056) 13.002 14.128 ( -0.335 2.079 -0.163) 2.112 ======================= Grid point 139 (62/77) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 16.157 10.801 1.042) 19.463 1.249 ( 2.442 16.531 -5.153) 17.487 1.298 ( 1.674 9.704 6.919) 12.035 1.420 ( -4.760 14.402 6.634) 16.556 1.551 ( -1.331 12.209 1.098) 12.330 1.564 ( -1.907 18.136 -2.390) 18.392 1.772 ( 1.601 14.277 -3.293) 14.740 1.801 ( 0.190 2.903 5.066) 5.842 1.818 ( -6.283 12.919 -1.357) 14.430 1.979 ( -2.104 13.198 -3.192) 13.741 2.181 ( -0.489 12.408 -1.802) 12.547 2.337 ( 11.744 6.535 -17.932) 22.410 2.390 ( 4.070 3.009 5.342) 7.359 2.540 ( 2.744 6.155 0.901) 6.799 2.579 ( -0.014 4.026 0.425) 4.049 2.772 ( -5.498 8.549 -0.821) 10.198 2.870 ( 1.774 16.070 2.305) 16.331 3.014 ( 0.599 9.491 -0.215) 9.513 3.031 ( 15.762 1.319 14.708) 21.599 3.323 ( 9.198 1.035 0.895) 9.300 3.463 ( -1.335 -3.175 0.160) 3.448 3.516 ( 8.367 -1.262 0.914) 8.510 3.560 ( -6.726 -3.657 -3.527) 8.429 3.646 ( -0.646 1.055 -1.083) 1.644 3.719 ( -5.844 1.059 3.107) 6.703 3.794 ( -3.445 4.867 -1.012) 6.048 3.938 ( 1.215 3.227 -2.136) 4.056 3.964 ( -3.628 2.521 2.055) 4.872 4.030 ( -7.789 3.650 3.281) 9.207 4.085 ( -7.380 2.577 -7.674) 10.954 4.180 ( -5.391 7.225 -4.711) 10.172 4.470 ( 0.387 7.101 -3.292) 7.836 4.559 ( -2.336 -0.620 1.172) 2.686 4.643 ( -0.948 4.403 -0.426) 4.524 4.663 ( -0.381 5.248 2.210) 5.707 4.683 ( -0.082 9.866 -0.288) 9.871 4.861 ( 3.781 1.123 2.343) 4.587 4.888 ( 4.495 1.010 2.523) 5.253 5.026 ( -0.475 1.127 -3.358) 3.574 5.087 ( 1.111 0.295 -1.565) 1.942 5.182 ( 5.355 1.547 -0.202) 5.578 5.247 ( -1.887 0.655 6.837) 7.123 5.335 ( -3.460 0.274 -1.709) 3.869 5.411 ( -5.791 -0.029 -4.224) 7.168 5.495 ( -1.191 -1.274 0.820) 1.927 5.573 ( -5.501 -1.808 -0.292) 5.798 5.653 ( 0.071 7.167 -0.043) 7.168 5.788 ( -2.792 3.979 -0.144) 4.863 6.049 ( 2.076 -3.584 1.677) 4.468 6.227 ( 5.688 -1.553 -6.828) 9.022 6.322 ( 3.967 -2.919 3.866) 6.261 6.463 ( -6.821 -5.306 5.637) 10.317 6.503 ( 1.140 -5.150 -3.032) 6.083 6.898 ( 7.365 -10.387 4.557) 13.524 7.220 ( 4.607 -20.833 6.092) 22.189 7.275 ( 0.278 -6.988 0.356) 7.002 7.568 ( 1.373 -14.969 -5.584) 16.035 7.830 ( 4.158 -1.635 0.136) 4.470 7.956 ( -4.227 -0.187 -6.344) 7.625 9.182 ( 0.951 -17.570 4.566) 18.178 9.583 ( -1.180 -6.664 1.685) 6.975 9.871 ( -0.091 12.272 -0.307) 12.276 10.104 ( 9.931 -2.570 3.490) 10.836 10.394 ( -14.181 2.304 -9.137) 17.026 10.500 ( -2.984 2.033 2.038) 4.146 11.070 ( -1.131 24.736 0.011) 24.762 12.315 ( 0.033 -14.332 -0.014) 14.332 13.174 ( 0.012 -12.943 0.044) 12.943 13.263 ( -0.417 -6.448 0.091) 6.462 13.729 ( 0.164 7.814 -0.467) 7.830 13.950 ( 0.432 12.501 0.016) 12.508 14.123 ( -0.083 1.998 -0.028) 2.000 ======================= Grid point 142 (63/77) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 67 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -0.000 11.165 -0.000) 11.165 1.157 ( 0.000 6.103 0.000) 6.103 1.418 ( -0.000 12.732 0.000) 12.732 1.521 ( 0.000 14.142 -0.000) 14.142 1.738 ( -0.000 8.146 0.000) 8.146 1.856 ( -0.000 12.571 0.000) 12.571 1.985 ( -0.000 18.233 0.000) 18.233 2.177 ( -0.000 19.457 0.000) 19.457 2.261 ( 0.000 5.073 0.000) 5.073 2.315 ( -0.000 6.245 0.000) 6.245 2.396 ( 0.000 14.553 -0.000) 14.553 2.539 ( -0.000 15.498 0.000) 15.498 2.567 ( 0.000 18.765 0.000) 18.765 2.578 ( -0.000 9.346 -0.000) 9.346 2.664 ( -0.000 26.881 0.000) 26.881 2.891 ( -0.000 13.112 0.000) 13.112 2.905 ( 0.000 10.384 -0.000) 10.384 3.065 ( 0.000 8.091 0.000) 8.091 3.184 ( -0.000 5.394 0.000) 5.394 3.238 ( -0.000 1.768 0.000) 1.768 3.447 ( 0.000 10.647 0.000) 10.647 3.523 ( -0.000 6.328 0.000) 6.328 3.693 ( -0.000 1.031 0.000) 1.031 3.759 ( -0.000 2.726 0.000) 2.726 3.955 ( -0.000 3.928 0.000) 3.928 3.985 ( 0.000 8.289 -0.000) 8.289 4.000 ( -0.000 4.161 0.000) 4.161 4.159 ( -0.000 6.567 0.000) 6.567 4.406 ( 0.000 9.583 -0.000) 9.583 4.451 ( 0.000 2.596 0.000) 2.596 4.495 ( -0.000 2.831 0.000) 2.831 4.565 ( -0.000 2.589 0.000) 2.589 4.639 ( 0.000 4.521 -0.000) 4.521 4.652 ( 0.000 0.479 0.000) 0.479 4.768 ( -0.000 2.029 0.000) 2.029 4.812 ( 0.000 0.235 0.000) 0.235 4.823 ( -0.000 4.373 0.000) 4.373 4.963 ( -0.000 10.530 0.000) 10.530 5.030 ( 0.000 1.677 0.000) 1.677 5.190 ( -0.000 5.320 -0.000) 5.320 5.195 ( 0.000 4.248 0.000) 4.248 5.328 ( -0.000 8.019 0.000) 8.019 5.391 ( -0.000 6.565 0.000) 6.565 5.539 ( -0.000 -0.805 0.000) 0.805 5.586 ( -0.000 -1.170 0.000) 1.170 5.623 ( 0.000 -2.244 0.000) 2.244 5.637 ( 0.000 0.991 0.000) 0.991 5.767 ( 0.000 1.376 0.000) 1.376 5.907 ( -0.000 2.741 0.000) 2.741 6.056 ( 0.000 -5.513 0.000) 5.513 6.217 ( -0.000 -12.712 0.000) 12.712 6.358 ( 0.000 -3.494 -0.000) 3.494 6.414 ( -0.000 -8.402 0.000) 8.402 6.647 ( -0.000 -12.234 0.000) 12.234 6.716 ( 0.000 -10.334 0.000) 10.334 7.014 ( 0.000 -15.390 0.000) 15.390 7.094 ( -0.000 -7.213 0.000) 7.213 7.650 ( -0.000 -5.313 0.000) 5.313 7.956 ( -0.000 -6.705 0.000) 6.705 8.569 ( -0.000 -27.864 0.000) 27.864 9.523 ( 0.000 -12.689 0.000) 12.689 9.525 ( -0.000 -19.544 0.000) 19.544 10.138 ( -0.000 10.297 0.000) 10.297 10.775 ( 0.000 2.260 0.000) 2.260 10.828 ( -0.000 12.798 0.000) 12.798 11.726 ( -0.000 24.430 0.000) 24.430 11.981 ( -0.000 -13.550 0.000) 13.550 12.931 ( 0.000 -9.138 0.000) 9.138 13.181 ( -0.000 -5.669 0.000) 5.669 13.838 ( -0.000 3.863 0.000) 3.863 14.148 ( -0.000 -1.194 0.000) 1.194 14.171 ( -0.000 9.163 0.000) 9.163 ======================= Grid point 144 (64/77) ======================= q-point: ( 0.20 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 7.340 17.037 -7.280) 19.928 1.378 ( 3.265 8.866 9.542) 13.428 1.535 ( 1.751 14.192 -2.145) 14.459 1.621 ( 14.086 9.571 10.133) 19.816 1.767 ( 2.874 6.968 -0.196) 7.540 1.859 ( -0.882 13.954 1.175) 14.031 1.983 ( 0.621 15.463 2.531) 15.681 2.106 ( -7.200 7.489 -9.078) 13.796 2.234 ( -0.978 15.336 -4.920) 16.136 2.350 ( 3.996 14.960 -0.610) 15.497 2.388 ( -0.401 8.436 7.351) 11.197 2.469 ( 1.619 18.118 -5.533) 19.013 2.547 ( 0.120 13.106 -1.731) 13.220 2.635 ( 0.899 19.654 1.654) 19.744 2.767 ( 4.974 15.091 -4.336) 16.471 2.945 ( 5.275 12.382 4.072) 14.061 2.989 ( 5.353 11.433 1.951) 12.774 3.087 ( 1.852 9.175 -2.272) 9.632 3.174 ( 0.395 5.394 1.679) 5.663 3.238 ( 3.354 1.941 -2.308) 4.511 3.434 ( -1.419 9.542 1.415) 9.750 3.521 ( 0.296 6.399 -0.567) 6.431 3.644 ( -3.509 0.366 -3.818) 5.199 3.738 ( -2.379 2.301 1.044) 3.470 3.907 ( -8.785 5.809 8.318) 13.421 3.939 ( -1.428 4.751 -1.185) 5.101 4.008 ( -0.273 3.834 0.157) 3.847 4.129 ( -1.122 7.374 -4.189) 8.555 4.333 ( -8.113 10.795 6.753) 15.098 4.399 ( -1.423 7.912 -3.322) 8.699 4.420 ( -7.919 2.859 -5.084) 9.835 4.578 ( -0.265 -0.815 -0.856) 1.211 4.632 ( 1.713 1.833 4.888) 5.494 4.680 ( -1.899 3.205 -4.209) 5.621 4.772 ( -0.565 4.923 0.505) 4.981 4.788 ( 3.279 1.419 -0.690) 3.639 4.893 ( 2.348 4.024 0.937) 4.752 4.942 ( -4.455 3.854 -0.569) 5.918 5.022 ( 3.499 4.448 -0.069) 5.660 5.121 ( -0.869 3.891 -1.770) 4.362 5.246 ( -1.989 11.046 -0.334) 11.229 5.327 ( 2.903 2.016 7.003) 7.844 5.362 ( -3.169 5.781 2.052) 6.904 5.462 ( -2.530 -1.368 -4.301) 5.174 5.547 ( -0.166 -1.117 -0.728) 1.344 5.673 ( -1.045 0.214 -2.355) 2.585 5.773 ( -2.523 1.876 3.016) 4.356 5.847 ( 8.309 -3.487 3.698) 9.741 5.895 ( -2.052 1.002 0.675) 2.381 6.022 ( 3.039 -6.965 -1.134) 7.683 6.252 ( 1.732 -9.105 -1.116) 9.335 6.337 ( -2.686 -0.043 1.107) 2.906 6.392 ( 2.083 -5.115 -0.863) 5.590 6.522 ( -0.068 -10.875 -2.445) 11.147 6.772 ( 0.631 -15.990 1.284) 16.054 7.090 ( 1.231 -9.755 -0.096) 9.833 7.176 ( 8.120 -13.499 -1.194) 15.798 7.679 ( 3.239 -4.991 -1.834) 6.226 7.941 ( -1.840 -7.609 -0.151) 7.830 8.612 ( 3.709 -27.617 0.534) 27.870 9.441 ( -3.101 -13.827 -0.054) 14.170 9.641 ( 5.979 -19.669 1.088) 20.587 10.132 ( -0.503 9.708 -0.306) 9.726 10.661 ( -8.635 7.753 0.390) 11.611 10.836 ( -0.453 12.929 -0.695) 12.956 11.701 ( -2.443 26.463 0.964) 26.593 11.977 ( -0.314 -14.598 -0.075) 14.602 12.931 ( 0.024 -9.246 -0.004) 9.246 13.162 ( -1.672 -5.952 0.241) 6.188 13.843 ( 0.579 3.714 -0.777) 3.838 14.142 ( -0.118 -0.139 -1.245) 1.258 14.179 ( 0.324 8.338 1.250) 8.437 ======================= Grid point 145 (65/77) ======================= q-point: ( 0.40 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 11.721 15.934 1.168) 19.815 1.473 ( 3.605 9.250 7.091) 12.200 1.556 ( 1.400 13.658 -3.233) 14.105 1.705 ( -10.421 11.341 -2.514) 15.606 1.828 ( 2.914 9.320 1.387) 9.863 1.860 ( 1.385 11.697 4.087) 12.468 1.950 ( -2.892 14.607 -2.465) 15.093 2.098 ( 5.876 14.577 1.304) 15.771 2.127 ( -2.599 14.870 -5.111) 15.937 2.371 ( -2.357 13.099 2.239) 13.497 2.475 ( 1.211 17.352 0.592) 17.404 2.508 ( 2.035 7.698 -1.928) 8.192 2.603 ( 7.823 20.641 -4.558) 22.539 2.671 ( 2.039 11.511 -1.607) 11.800 2.794 ( 1.002 10.776 -0.746) 10.848 2.977 ( -4.579 11.570 4.498) 13.231 3.095 ( 6.417 4.786 2.748) 8.464 3.182 ( 0.425 5.459 -0.810) 5.535 3.225 ( 6.881 13.805 4.500) 16.067 3.396 ( 7.081 -1.297 -3.998) 8.235 3.420 ( -0.188 8.922 1.317) 9.021 3.535 ( 0.309 4.130 -0.968) 4.253 3.547 ( 0.424 2.373 -5.649) 6.142 3.679 ( -3.063 2.861 0.100) 4.193 3.746 ( -10.681 2.486 9.347) 14.410 3.900 ( -1.132 4.931 -0.093) 5.060 3.968 ( -2.609 1.985 -0.765) 3.367 4.122 ( 3.296 10.608 -7.027) 13.145 4.144 ( -9.603 5.269 -1.505) 11.057 4.216 ( -7.408 10.604 2.733) 13.221 4.365 ( -1.059 11.081 -0.634) 11.149 4.570 ( -0.512 1.555 0.450) 1.697 4.615 ( -0.056 4.593 -4.014) 6.100 4.718 ( 2.552 3.191 0.330) 4.099 4.765 ( -2.656 5.293 4.347) 7.346 4.836 ( 2.445 1.665 0.100) 2.959 4.890 ( 2.696 1.065 0.332) 2.917 4.999 ( 2.634 9.552 2.376) 10.190 5.034 ( -1.121 -0.743 -1.746) 2.204 5.115 ( 0.089 1.789 0.041) 1.792 5.251 ( 2.926 5.772 -2.368) 6.891 5.314 ( -3.110 5.291 4.116) 7.390 5.343 ( -2.263 1.529 -5.163) 5.841 5.429 ( -3.263 0.738 -1.584) 3.701 5.476 ( -6.129 1.343 3.946) 7.412 5.535 ( -0.334 -0.316 -1.161) 1.249 5.744 ( -1.729 2.191 1.898) 3.376 5.881 ( 0.718 3.822 -0.599) 3.934 5.953 ( 1.517 -5.371 1.094) 5.687 6.165 ( 8.127 -4.872 -2.357) 9.764 6.276 ( -1.204 -0.970 2.869) 3.259 6.315 ( -1.573 -8.177 -0.725) 8.359 6.403 ( 0.517 -2.886 -0.141) 2.935 6.618 ( 4.873 -15.398 0.405) 16.156 6.795 ( 1.155 -18.457 2.088) 18.610 7.113 ( 0.937 -8.004 0.392) 8.068 7.264 ( 1.731 -14.213 -1.819) 14.433 7.754 ( 4.653 -4.947 -1.463) 6.947 7.873 ( -4.196 -7.054 -0.502) 8.223 8.688 ( 2.481 -28.322 0.424) 28.434 9.398 ( -1.090 -12.498 0.076) 12.545 9.755 ( 3.787 -25.747 0.942) 26.041 10.115 ( -0.847 8.957 -0.383) 9.005 10.505 ( -5.081 17.015 -0.191) 17.759 10.815 ( -0.810 15.164 -0.215) 15.187 11.658 ( -1.523 29.035 0.349) 29.077 11.972 ( -0.107 -15.796 -0.042) 15.797 12.932 ( 0.021 -9.388 -0.003) 9.388 13.133 ( -0.905 -6.482 0.036) 6.545 13.849 ( 0.276 3.620 -0.431) 3.656 14.135 ( -0.032 0.428 -0.514) 0.669 14.191 ( 0.265 7.964 0.552) 7.987 ======================= Grid point 148 (66/77) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -0.000 7.841 -0.000) 7.841 1.340 ( 0.000 11.117 0.000) 11.117 1.669 ( -0.000 11.340 0.000) 11.340 1.830 ( 0.000 13.840 0.000) 13.840 1.873 ( -0.000 6.214 0.000) 6.214 2.111 ( -0.000 10.406 0.000) 10.406 2.331 ( 0.913 6.002 -0.952) 6.146 2.331 ( -0.913 11.943 0.952) 12.015 2.438 ( -0.000 10.006 -0.000) 10.006 2.526 ( 0.000 10.679 0.000) 10.679 2.646 ( -0.000 7.474 0.000) 7.474 2.769 ( -0.000 10.616 0.000) 10.616 2.790 ( -0.000 12.906 0.000) 12.906 2.910 ( -0.000 11.170 0.000) 11.170 3.123 ( 0.000 12.478 0.000) 12.478 3.159 ( -0.000 12.031 -0.000) 12.031 3.188 ( 0.000 14.139 0.000) 14.139 3.236 ( -0.000 9.998 0.000) 9.998 3.301 ( -0.000 7.430 0.000) 7.430 3.329 ( -0.000 8.245 0.000) 8.245 3.613 ( -0.000 6.525 0.000) 6.525 3.714 ( 0.000 4.770 0.000) 4.770 3.723 ( 0.000 3.062 -0.000) 3.062 3.822 ( 0.000 6.991 0.000) 6.991 4.053 ( -0.000 6.371 0.000) 6.371 4.060 ( 0.000 1.292 -0.000) 1.292 4.130 ( -0.000 4.595 0.000) 4.595 4.274 ( -0.000 3.931 -0.000) 3.931 4.482 ( -0.000 0.933 0.000) 0.933 4.491 ( 0.000 -3.889 -0.000) 3.889 4.610 ( 0.000 7.305 -0.000) 7.305 4.658 ( -0.000 5.845 0.000) 5.845 4.724 ( -0.000 1.365 0.000) 1.365 4.734 ( -0.000 0.287 0.000) 0.287 4.792 ( 0.000 10.299 0.000) 10.299 4.864 ( -0.000 1.987 0.000) 1.987 4.893 ( 0.000 3.052 0.000) 3.052 5.021 ( -0.000 -0.938 0.000) 0.938 5.144 ( -0.000 6.515 0.000) 6.515 5.222 ( -0.000 0.694 0.000) 0.694 5.388 ( 0.000 13.011 -0.000) 13.011 5.413 ( -0.000 -2.125 0.000) 2.125 5.493 ( -0.000 -2.007 0.000) 2.007 5.552 ( 0.000 -4.394 0.000) 4.394 5.600 ( 0.000 9.417 -0.000) 9.417 5.659 ( 0.000 7.640 0.000) 7.640 5.684 ( -0.000 1.695 0.000) 1.695 5.803 ( 0.000 0.918 0.000) 0.918 5.916 ( -0.000 -4.717 0.000) 4.717 5.959 ( 0.000 -9.033 0.000) 9.033 5.978 ( -0.000 2.267 -0.000) 2.267 6.282 ( 0.000 -0.832 0.000) 0.832 6.336 ( -0.000 -0.548 0.000) 0.548 6.425 ( -0.000 -8.467 -0.000) 8.467 6.561 ( -0.000 -4.831 0.000) 4.831 6.732 ( 0.000 -8.331 0.000) 8.331 7.012 ( 0.000 -1.638 0.000) 1.638 7.520 ( -0.000 -8.478 0.000) 8.478 7.774 ( -0.000 -8.843 0.000) 8.843 8.030 ( -0.000 -22.889 0.000) 22.889 9.113 ( -0.000 -19.797 0.000) 19.797 9.169 ( 0.000 -18.692 0.000) 18.692 10.280 ( -0.000 4.119 0.000) 4.119 10.905 ( -0.000 -7.324 0.000) 7.324 10.992 ( -0.000 14.157 0.000) 14.157 11.801 ( -0.000 1.941 0.000) 1.941 12.237 ( -0.000 20.762 0.000) 20.762 12.833 ( 0.000 0.055 0.000) 0.055 13.057 ( -0.000 -5.695 0.000) 5.695 13.876 ( -0.000 -0.027 0.000) 0.027 14.076 ( -0.000 -5.906 0.000) 5.906 14.292 ( -0.000 2.544 0.000) 2.544 ======================= Grid point 150 (67/77) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 9.372 13.811 -3.199) 16.995 1.565 ( 7.051 9.175 6.838) 13.441 1.781 ( 12.094 7.755 3.173) 14.713 1.850 ( 2.144 11.634 0.637) 11.847 1.862 ( 0.062 5.777 -0.937) 5.852 2.142 ( 0.668 12.457 3.100) 12.855 2.255 ( -2.502 10.410 -4.529) 11.625 2.296 ( -2.641 11.343 -0.575) 11.661 2.508 ( 1.089 9.548 -5.479) 11.062 2.551 ( -2.407 9.885 4.042) 10.947 2.589 ( 2.473 8.576 1.907) 9.126 2.785 ( 2.967 12.237 -2.709) 12.879 2.816 ( 2.487 12.491 0.082) 12.736 2.980 ( 1.453 11.057 3.453) 11.675 3.075 ( 2.409 13.634 -9.263) 16.658 3.138 ( -1.016 5.600 1.753) 5.955 3.214 ( 0.522 6.717 -6.078) 9.074 3.282 ( 2.730 8.514 0.596) 8.961 3.309 ( -1.794 9.877 3.549) 10.648 3.344 ( 3.797 10.761 1.548) 11.516 3.600 ( 0.326 5.636 -2.593) 6.213 3.672 ( -1.492 3.556 -4.428) 5.872 3.743 ( -1.016 7.528 6.761) 10.170 3.786 ( -2.802 7.757 1.809) 8.444 4.006 ( -6.308 2.629 6.026) 9.111 4.051 ( -1.590 6.661 -0.259) 6.853 4.097 ( -1.664 5.253 -1.613) 5.741 4.279 ( 1.031 5.479 -5.144) 7.586 4.482 ( -3.643 2.762 -1.185) 4.723 4.483 ( -4.092 0.198 4.728) 6.256 4.570 ( -3.183 3.540 1.627) 5.031 4.599 ( -0.682 4.083 -0.139) 4.142 4.670 ( -2.298 3.922 -0.894) 4.633 4.748 ( 1.106 2.110 -1.531) 2.832 4.815 ( -0.281 2.607 -3.248) 4.174 4.871 ( 2.628 3.066 1.495) 4.306 4.912 ( 0.207 2.407 1.783) 3.002 5.000 ( -1.234 1.435 -0.551) 1.971 5.118 ( -1.575 1.182 -1.407) 2.420 5.189 ( -2.798 3.765 1.867) 5.049 5.362 ( -0.063 1.219 3.478) 3.686 5.435 ( -3.721 1.435 0.246) 3.996 5.463 ( -2.471 3.314 0.975) 4.247 5.527 ( 4.260 8.106 -4.763) 10.322 5.579 ( -2.048 5.383 -2.655) 6.342 5.703 ( 1.005 1.515 3.225) 3.703 5.792 ( 1.460 -0.717 0.889) 1.854 5.809 ( -4.081 2.324 3.724) 5.993 5.866 ( 1.654 -3.243 1.708) 4.021 5.921 ( 4.038 -3.484 -4.766) 7.152 6.072 ( 5.446 -4.571 1.130) 7.199 6.307 ( 1.760 -1.201 -0.546) 2.199 6.346 ( 0.505 -3.590 -5.718) 6.771 6.405 ( 0.223 1.833 1.748) 2.542 6.516 ( -1.145 -4.705 -0.536) 4.872 6.834 ( 5.122 -11.850 3.718) 13.435 7.017 ( 0.286 -4.435 0.080) 4.445 7.560 ( 4.486 -7.236 -3.602) 9.244 7.759 ( -1.821 -8.303 1.439) 8.621 8.057 ( 2.172 -24.472 0.199) 24.569 9.095 ( -0.867 -18.247 -0.849) 18.288 9.198 ( 1.839 -20.997 0.639) 21.087 10.273 ( -0.608 4.431 -0.024) 4.473 10.900 ( -0.097 -3.873 -0.866) 3.970 10.968 ( -2.382 12.662 1.119) 12.933 11.804 ( 0.157 1.838 0.141) 1.850 12.228 ( -0.862 21.945 0.315) 21.964 12.830 ( -0.261 -0.080 0.302) 0.407 13.034 ( -1.903 -5.788 -0.306) 6.101 13.878 ( 0.240 -0.193 -0.456) 0.550 14.077 ( 0.154 -5.731 -0.273) 5.739 14.297 ( 0.320 2.475 0.388) 2.525 ======================= Grid point 151 (68/77) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 8.039 13.215 1.571) 15.547 1.667 ( 4.889 8.760 2.505) 10.340 1.813 ( -3.329 4.949 -3.178) 6.759 1.866 ( 0.759 14.100 -2.222) 14.295 2.073 ( -4.760 14.093 1.303) 14.933 2.120 ( 8.186 10.557 6.059) 14.669 2.246 ( -1.156 13.334 -2.528) 13.621 2.298 ( 3.855 5.811 1.988) 7.252 2.406 ( 0.890 13.075 -7.587) 15.143 2.590 ( -1.895 10.457 4.250) 11.446 2.674 ( 4.187 8.978 5.670) 11.414 2.810 ( 0.082 13.965 -0.320) 13.968 2.882 ( 0.150 7.645 -5.261) 9.282 2.984 ( -1.790 8.995 1.870) 9.360 3.020 ( 2.698 8.617 -4.548) 10.111 3.167 ( 0.117 11.134 -0.968) 11.177 3.241 ( -1.675 1.005 0.951) 2.173 3.275 ( 1.909 5.312 -0.917) 5.718 3.350 ( 4.012 9.732 -0.828) 10.559 3.411 ( 0.414 2.265 -1.130) 2.565 3.622 ( 5.451 6.208 -6.612) 10.581 3.658 ( 3.055 8.645 -2.233) 9.437 3.727 ( -4.402 4.719 7.109) 9.602 3.768 ( -3.995 13.188 7.628) 15.750 3.895 ( -5.742 9.806 4.188) 12.111 4.003 ( 0.008 6.566 -1.910) 6.838 4.048 ( -2.174 5.822 -1.145) 6.319 4.258 ( -7.929 5.516 -2.052) 9.874 4.301 ( 2.945 5.294 -8.922) 10.784 4.395 ( -6.725 4.166 6.120) 10.001 4.594 ( -0.429 5.797 1.469) 5.996 4.602 ( 2.243 1.996 2.099) 3.664 4.649 ( -0.686 0.750 -2.277) 2.494 4.784 ( 3.644 -1.448 -0.271) 3.931 4.841 ( 2.224 4.403 -1.840) 5.265 4.877 ( -0.894 -0.001 -1.949) 2.145 4.912 ( -1.578 6.828 5.869) 9.142 4.993 ( -0.333 -2.827 -1.522) 3.227 5.096 ( 0.669 -2.994 -1.224) 3.303 5.139 ( -2.543 2.293 1.064) 3.585 5.358 ( -2.153 1.548 1.247) 2.930 5.395 ( -0.381 5.893 0.250) 5.911 5.417 ( -1.264 2.994 0.117) 3.252 5.473 ( -4.850 2.344 -0.791) 5.445 5.590 ( 2.368 11.447 -2.951) 12.056 5.661 ( -0.679 10.108 2.579) 10.454 5.755 ( -2.198 -0.478 0.175) 2.256 5.839 ( 0.565 -4.848 0.995) 4.981 5.914 ( 1.874 -3.777 -0.271) 4.225 6.066 ( 7.719 -2.328 2.076) 8.325 6.165 ( 1.236 -4.969 -0.916) 5.201 6.270 ( -2.150 1.875 -1.207) 3.097 6.350 ( 1.566 -7.204 -4.219) 8.494 6.450 ( 1.143 5.876 2.543) 6.504 6.511 ( 0.226 -6.696 0.166) 6.702 6.940 ( 3.636 -10.478 3.023) 11.495 7.007 ( -1.433 -9.124 -1.379) 9.338 7.639 ( 4.645 -6.495 -3.620) 8.767 7.716 ( -3.226 -6.801 2.327) 7.879 8.098 ( 1.296 -26.909 0.126) 26.941 9.080 ( -0.278 -17.373 -0.421) 17.380 9.230 ( 0.845 -23.200 0.244) 23.217 10.261 ( -0.371 5.081 -0.005) 5.095 10.899 ( 0.686 7.084 -1.222) 7.222 10.925 ( -2.175 4.715 1.384) 5.374 11.808 ( 0.108 1.599 0.097) 1.606 12.213 ( -0.577 24.018 0.174) 24.026 12.828 ( -0.071 -0.036 0.226) 0.240 12.996 ( -1.216 -6.302 -0.294) 6.425 13.880 ( 0.138 -0.423 -0.265) 0.518 14.079 ( 0.108 -5.485 -0.147) 5.488 14.305 ( 0.211 2.339 0.230) 2.360 ======================= Grid point 154 (69/77) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 67 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.000 7.836 0.000) 7.836 1.543 ( 0.000 8.341 0.000) 8.341 1.875 ( 0.000 8.285 0.000) 8.285 1.888 ( -0.000 -0.606 0.000) 0.606 2.172 ( 0.000 15.110 0.000) 15.110 2.187 ( -0.000 -1.525 0.000) 1.525 2.495 ( -0.000 7.167 0.000) 7.167 2.570 ( -0.000 13.055 0.000) 13.055 2.618 ( 0.000 3.618 -0.000) 3.618 2.712 ( -0.000 11.712 0.000) 11.712 2.742 ( 0.000 3.430 0.000) 3.430 2.992 ( -0.000 10.955 0.000) 10.955 3.067 ( -0.000 4.646 0.000) 4.646 3.110 ( -0.000 15.106 0.000) 15.106 3.296 ( 0.000 6.672 -0.000) 6.672 3.323 ( 0.000 5.446 -0.000) 5.446 3.327 ( -0.000 5.677 0.000) 5.677 3.423 ( 0.000 0.072 0.000) 0.072 3.489 ( -0.000 10.155 0.000) 10.155 3.549 ( -0.000 11.049 0.000) 11.049 3.684 ( 0.000 -2.726 0.000) 2.726 3.782 ( -0.000 10.687 -0.000) 10.687 3.863 ( 0.000 8.956 0.000) 8.956 3.988 ( 0.000 3.941 0.000) 3.941 4.073 ( 0.000 2.221 -0.000) 2.221 4.158 ( -0.000 0.235 0.000) 0.235 4.214 ( 0.000 6.150 0.000) 6.150 4.319 ( 0.000 0.089 -0.000) 0.089 4.377 ( -0.000 -6.580 0.000) 6.580 4.484 ( 0.000 -1.128 0.000) 1.128 4.647 ( -0.000 -1.306 0.000) 1.306 4.717 ( 0.000 -0.109 0.000) 0.109 4.764 ( -0.000 4.054 -0.000) 4.054 4.785 ( 0.000 0.908 0.000) 0.908 4.826 ( 0.000 -4.385 0.000) 4.385 4.904 ( -0.000 2.399 0.000) 2.399 4.968 ( 0.000 0.701 0.000) 0.701 4.987 ( -0.000 -2.031 0.000) 2.031 5.212 ( -0.000 -2.015 0.000) 2.015 5.287 ( 0.000 1.685 -0.000) 1.685 5.353 ( -0.000 -2.566 0.000) 2.566 5.359 ( 0.000 -10.362 -0.000) 10.362 5.574 ( -0.000 7.262 0.000) 7.262 5.579 ( 0.000 -5.630 -0.000) 5.630 5.596 ( -0.000 -0.191 0.000) 0.191 5.657 ( 0.000 0.323 -0.000) 0.323 5.720 ( 0.000 -2.900 0.000) 2.900 5.822 ( -0.000 3.408 0.000) 3.408 5.878 ( -0.000 0.894 0.000) 0.894 5.929 ( -0.000 5.106 0.000) 5.106 6.159 ( -0.000 1.132 0.000) 1.132 6.235 ( -0.000 5.814 0.000) 5.814 6.379 ( 0.000 9.625 0.000) 9.625 6.468 ( 0.000 11.129 -0.000) 11.129 6.555 ( 0.000 4.260 0.000) 4.260 6.782 ( 0.000 9.547 0.000) 9.547 6.944 ( 0.000 -5.814 0.000) 5.814 7.273 ( -0.000 -13.671 0.000) 13.671 7.662 ( 0.000 -1.689 0.000) 1.689 7.680 ( -0.000 -11.676 0.000) 11.676 8.734 ( -0.000 -16.199 0.000) 16.199 8.827 ( 0.000 -13.887 0.000) 13.887 10.312 ( -0.000 -0.884 0.000) 0.884 10.644 ( -0.000 -14.393 0.000) 14.393 11.263 ( -0.000 11.759 0.000) 11.759 11.888 ( 0.000 2.580 0.000) 2.580 12.618 ( -0.000 16.124 0.000) 16.124 12.916 ( -0.000 6.670 0.000) 6.670 12.988 ( 0.000 0.206 0.000) 0.206 13.852 ( 0.000 -2.344 0.000) 2.344 13.912 ( -0.000 -9.106 0.000) 9.106 14.281 ( -0.000 -3.420 0.000) 3.420 ======================= Grid point 156 (70/77) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 8.781 8.677 -0.218) 12.347 1.741 ( 12.952 6.626 4.815) 15.324 1.866 ( -0.618 2.464 -1.726) 3.071 1.938 ( 8.161 5.041 -1.355) 9.688 2.165 ( -0.721 12.894 0.826) 12.941 2.278 ( 6.702 2.244 1.296) 7.186 2.481 ( -3.366 12.619 0.682) 13.078 2.552 ( -1.468 12.495 0.327) 12.585 2.627 ( 2.276 -0.306 -2.653) 3.509 2.723 ( 0.363 9.264 6.182) 11.143 2.767 ( 2.830 7.986 -7.789) 11.509 3.008 ( 1.185 9.223 -0.714) 9.327 3.050 ( 1.731 3.693 -3.582) 5.428 3.121 ( -0.636 10.553 2.255) 10.810 3.243 ( -4.413 7.163 1.455) 8.538 3.271 ( -2.422 6.957 -3.266) 8.058 3.356 ( -2.380 2.266 1.457) 3.594 3.397 ( 0.524 6.335 0.222) 6.361 3.503 ( -0.825 4.444 -1.625) 4.803 3.572 ( 3.110 10.579 0.714) 11.050 3.709 ( 1.640 1.935 1.376) 2.885 3.737 ( -1.123 9.835 -3.357) 10.453 3.888 ( 0.592 8.311 4.003) 9.244 3.993 ( 0.612 4.847 1.333) 5.064 4.042 ( -3.581 4.388 4.796) 7.421 4.162 ( 2.647 0.196 -6.129) 6.679 4.203 ( -0.539 6.504 -2.050) 6.841 4.344 ( 0.780 0.010 2.809) 2.915 4.415 ( 0.218 -4.377 2.974) 5.296 4.510 ( 2.710 -1.326 -1.775) 3.500 4.591 ( -5.893 1.687 -0.660) 6.165 4.649 ( -5.127 0.321 3.815) 6.399 4.719 ( -4.423 -2.351 -4.898) 7.006 4.757 ( -2.597 1.972 -1.218) 3.481 4.830 ( 1.715 -1.082 0.271) 2.046 4.858 ( -1.651 -2.380 -0.330) 2.916 4.968 ( -1.554 -0.050 0.966) 1.831 4.991 ( -0.796 -4.157 2.526) 4.929 5.123 ( -6.881 0.770 2.493) 7.359 5.236 ( -1.965 -1.991 -2.588) 3.811 5.364 ( 1.977 -2.140 -1.915) 3.487 5.411 ( 0.177 -5.926 2.258) 6.345 5.500 ( -0.186 -2.689 -0.745) 2.796 5.605 ( -1.530 10.751 -0.109) 10.860 5.644 ( 2.221 -6.202 2.240) 6.958 5.707 ( 3.302 -2.286 -1.749) 4.380 5.739 ( 2.379 -1.010 0.510) 2.635 5.789 ( -0.438 -1.304 -4.543) 4.746 5.861 ( -3.535 5.896 0.296) 6.881 5.993 ( 7.291 6.662 0.183) 9.878 6.203 ( 0.728 12.735 4.575) 13.551 6.252 ( 2.857 -2.764 0.331) 3.989 6.419 ( 2.774 9.191 -4.295) 10.517 6.485 ( 2.246 11.064 1.907) 11.449 6.567 ( 1.539 2.181 -1.959) 3.311 6.778 ( -1.295 7.907 2.929) 8.530 6.905 ( -2.820 -6.354 0.910) 7.012 7.335 ( 5.380 -14.141 -2.754) 15.378 7.657 ( -0.565 -1.236 0.408) 1.419 7.681 ( -0.049 -11.988 0.329) 11.992 8.732 ( -0.116 -15.978 -0.387) 15.983 8.830 ( 0.232 -14.394 0.150) 14.397 10.310 ( -0.115 -0.692 0.058) 0.704 10.645 ( 0.071 -14.518 -0.004) 14.518 11.256 ( -0.672 12.351 0.143) 12.370 11.888 ( 0.057 2.528 0.049) 2.530 12.630 ( 1.090 16.951 -0.124) 16.987 12.904 ( -1.224 5.198 1.219) 5.478 12.972 ( -1.317 1.592 -1.087) 2.334 13.852 ( -0.091 -1.990 0.302) 2.015 13.912 ( 0.228 -9.595 -0.546) 9.613 14.284 ( 0.192 -3.553 0.182) 3.563 ======================= Grid point 157 (71/77) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 5.227 3.516 0.861) 6.358 1.832 ( -1.163 8.181 -0.444) 8.276 1.940 ( 6.595 7.760 -1.423) 10.283 2.141 ( -1.966 10.092 0.040) 10.282 2.259 ( 16.167 2.915 4.456) 17.021 2.366 ( -2.364 13.776 -0.153) 13.978 2.416 ( 2.382 9.119 0.627) 9.446 2.510 ( -3.756 10.243 -1.344) 10.992 2.650 ( -0.447 9.853 -1.605) 9.993 2.760 ( 0.208 5.165 9.266) 10.610 2.801 ( 3.996 3.175 -6.954) 8.627 2.994 ( -4.427 -3.702 -4.761) 7.481 3.064 ( -0.007 6.468 -1.196) 6.577 3.087 ( -1.252 12.557 0.013) 12.620 3.188 ( 0.138 9.703 -0.065) 9.704 3.219 ( 0.890 5.148 -4.287) 6.758 3.320 ( -2.655 1.292 4.228) 5.156 3.390 ( -0.816 5.794 -0.334) 5.861 3.451 ( -3.223 3.645 1.879) 5.216 3.687 ( 6.319 15.855 -1.114) 17.104 3.719 ( 1.140 2.976 -1.011) 3.343 3.779 ( 2.674 5.766 1.469) 6.523 3.912 ( 2.033 10.019 0.329) 10.228 3.987 ( -0.517 1.424 2.813) 3.196 4.046 ( -4.331 13.402 6.043) 15.327 4.152 ( -0.734 5.949 -4.167) 7.300 4.202 ( 3.833 3.982 -5.466) 7.773 4.340 ( -4.176 2.409 3.639) 6.040 4.368 ( -2.990 -1.475 -0.613) 3.390 4.407 ( -5.204 3.479 -1.376) 6.409 4.579 ( 1.632 -3.367 -1.769) 4.139 4.616 ( -0.715 -2.623 7.366) 7.852 4.649 ( -0.243 -2.602 -0.870) 2.754 4.690 ( -1.970 -4.458 -7.338) 8.809 4.841 ( 1.716 -3.810 -0.765) 4.248 4.885 ( -1.528 0.355 2.881) 3.280 4.910 ( -0.177 -4.043 0.034) 4.047 4.968 ( -1.409 -7.535 -0.710) 7.699 5.043 ( -4.069 0.100 5.845) 7.122 5.170 ( -1.616 0.095 -3.893) 4.216 5.417 ( 0.385 -3.006 2.784) 4.116 5.428 ( 2.772 -2.187 0.175) 3.536 5.487 ( -0.283 0.649 -1.782) 1.918 5.572 ( -1.492 14.255 0.065) 14.333 5.690 ( -0.600 -7.877 0.412) 7.911 5.722 ( 0.060 -4.994 1.695) 5.275 5.750 ( 0.565 -2.327 -3.302) 4.079 5.795 ( 1.950 1.098 -1.617) 2.761 5.837 ( 0.108 9.177 0.577) 9.195 6.129 ( 4.761 6.385 -0.396) 7.975 6.235 ( 0.206 9.884 3.391) 10.452 6.305 ( 1.951 2.739 -1.554) 3.704 6.414 ( -0.690 11.593 -1.231) 11.678 6.556 ( 2.555 9.381 -0.957) 9.770 6.583 ( 0.122 0.407 0.362) 0.558 6.782 ( 0.580 1.308 3.515) 3.795 6.860 ( -1.701 -4.554 -1.177) 5.002 7.413 ( 2.706 -16.118 -1.517) 16.414 7.647 ( -0.538 0.031 0.424) 0.686 7.682 ( -0.026 -12.441 0.159) 12.442 8.727 ( -0.099 -15.716 -0.264) 15.718 8.835 ( 0.130 -15.078 0.082) 15.079 10.309 ( -0.050 -0.409 0.038) 0.414 10.646 ( 0.030 -14.713 -0.002) 14.713 11.244 ( -0.408 13.295 0.089) 13.302 11.890 ( 0.035 2.447 0.031) 2.448 12.652 ( 0.812 18.793 -0.117) 18.811 12.894 ( -0.328 0.977 1.739) 2.021 12.932 ( -1.386 5.174 -1.626) 5.598 13.851 ( -0.064 -1.609 0.145) 1.617 13.914 ( 0.161 -10.201 -0.289) 10.206 14.288 ( 0.120 -3.774 0.109) 3.777 ======================= Grid point 160 (72/77) ======================= q-point: ( 0.00 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( -0.000 5.346 0.000) 5.346 1.668 ( 0.000 3.252 0.000) 3.252 1.879 ( 0.000 0.756 -0.000) 0.756 1.974 ( -0.000 0.350 0.000) 0.350 2.168 ( 0.000 1.891 0.000) 1.891 2.365 ( -0.000 -0.821 0.000) 0.821 2.567 ( -0.000 7.962 0.000) 7.962 2.746 ( 0.000 2.815 -0.000) 2.815 2.807 ( 0.000 4.756 0.000) 4.756 2.852 ( -0.000 13.273 0.000) 13.273 2.958 ( -0.000 12.757 0.000) 12.757 3.094 ( -0.000 -3.425 0.000) 3.425 3.119 ( -0.000 1.632 0.000) 1.632 3.284 ( -0.000 -0.987 0.000) 0.987 3.375 ( -0.000 -2.789 -0.000) 2.789 3.399 ( 0.000 1.366 0.000) 1.366 3.480 ( -0.000 15.717 0.000) 15.717 3.543 ( -0.000 9.681 0.000) 9.681 3.635 ( 0.000 8.974 0.000) 8.974 3.703 ( 0.000 2.743 0.000) 2.743 3.727 ( -0.000 8.029 -0.000) 8.029 3.908 ( -0.000 -3.214 0.000) 3.214 3.986 ( 0.000 1.876 -0.000) 1.876 4.056 ( 0.000 6.739 0.000) 6.739 4.098 ( -0.000 -6.082 -0.000) 6.082 4.171 ( 0.000 -6.429 0.000) 6.429 4.214 ( -0.000 3.386 -0.000) 3.386 4.302 ( -0.000 -1.621 -0.000) 1.621 4.339 ( 0.000 6.149 0.000) 6.149 4.414 ( -0.000 -4.764 0.000) 4.764 4.608 ( 0.000 -4.049 0.000) 4.049 4.690 ( -0.000 -8.029 0.000) 8.029 4.713 ( -0.000 0.576 0.000) 0.576 4.802 ( -0.000 1.657 -0.000) 1.657 4.823 ( 0.000 1.344 0.000) 1.344 4.884 ( 0.000 -8.157 0.000) 8.157 4.928 ( -0.000 -0.269 0.000) 0.269 4.948 ( 0.000 -1.619 0.000) 1.619 5.150 ( -0.000 -2.855 -0.000) 2.855 5.166 ( 0.000 -1.717 0.000) 1.717 5.295 ( 0.000 -2.368 -0.000) 2.368 5.350 ( -0.000 1.296 0.000) 1.296 5.461 ( 0.000 -4.446 0.000) 4.446 5.539 ( -0.000 -1.626 0.000) 1.626 5.601 ( -0.000 -1.714 0.000) 1.714 5.624 ( 0.000 -4.811 0.000) 4.811 5.669 ( -0.000 -0.176 0.000) 0.176 5.784 ( 0.000 -5.877 0.000) 5.877 5.984 ( -0.000 4.768 0.000) 4.768 6.123 ( -0.000 -1.375 0.000) 1.375 6.224 ( -0.000 21.977 0.000) 21.977 6.440 ( -0.000 6.579 0.000) 6.579 6.588 ( -0.000 6.074 0.000) 6.074 6.701 ( 0.000 8.932 -0.000) 8.932 6.711 ( -0.000 7.848 0.000) 7.848 6.837 ( 0.000 -0.831 0.000) 0.831 6.929 ( -0.000 1.825 0.000) 1.825 7.075 ( -0.000 -5.502 0.000) 5.502 7.515 ( -0.000 -3.052 0.000) 3.052 7.648 ( 0.000 -1.425 0.000) 1.425 8.486 ( 0.000 -6.908 0.000) 6.908 8.596 ( 0.000 -8.854 0.000) 8.854 10.272 ( -0.000 -1.963 0.000) 1.963 10.391 ( -0.000 -9.359 0.000) 9.359 11.486 ( 0.000 10.121 0.000) 10.121 11.849 ( -0.000 -5.829 0.000) 5.829 12.884 ( -0.000 9.255 0.000) 9.255 13.033 ( -0.000 3.053 0.000) 3.053 13.100 ( 0.000 10.605 0.000) 10.605 13.654 ( -0.000 -13.176 0.000) 13.176 13.876 ( -0.000 3.121 0.000) 3.121 14.165 ( -0.000 -7.433 0.000) 7.433 ======================= Grid point 162 (73/77) ======================= q-point: ( 0.20 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 5.468 3.938 0.508) 6.758 1.786 ( 9.647 -0.759 0.247) 9.680 1.975 ( 9.797 5.979 0.289) 11.481 2.026 ( 5.033 3.705 -1.077) 6.342 2.233 ( 4.914 0.192 0.793) 4.982 2.414 ( 5.466 0.978 -0.987) 5.640 2.574 ( 1.046 4.171 0.281) 4.310 2.729 ( -2.103 4.009 0.212) 4.532 2.787 ( -2.997 8.961 0.201) 9.452 2.851 ( 1.296 7.887 -1.426) 8.119 2.972 ( -0.104 10.355 -3.092) 10.807 3.062 ( -2.992 -3.318 -3.511) 5.683 3.082 ( -0.726 3.327 -1.097) 3.577 3.298 ( -3.333 -2.679 8.669) 9.667 3.324 ( -1.863 -0.332 2.124) 2.844 3.397 ( -1.248 4.666 3.854) 6.179 3.475 ( -1.232 13.516 0.555) 13.583 3.573 ( 2.784 8.139 -0.238) 8.605 3.591 ( -3.095 11.082 -2.318) 11.737 3.726 ( 3.029 4.591 -1.704) 5.758 3.760 ( 2.927 2.751 -2.199) 4.579 3.920 ( 0.894 1.975 0.301) 2.188 3.996 ( 0.179 1.913 0.017) 1.922 4.050 ( 1.734 3.163 -2.603) 4.448 4.104 ( 0.546 -2.020 -0.087) 2.095 4.178 ( -1.290 -0.473 0.082) 1.377 4.209 ( 2.499 -4.312 0.114) 4.985 4.304 ( 0.313 2.244 -0.699) 2.371 4.387 ( 2.207 -0.087 4.439) 4.958 4.435 ( 2.564 -4.472 -1.837) 5.473 4.575 ( -1.682 -5.885 -4.467) 7.577 4.638 ( -6.114 0.420 3.455) 7.035 4.682 ( -4.368 -2.305 2.266) 5.434 4.698 ( -6.027 -5.440 -2.657) 8.543 4.812 ( -1.478 0.240 -0.000) 1.498 4.852 ( -1.843 -0.592 -0.065) 1.937 4.907 ( -3.840 -0.688 -1.026) 4.034 4.944 ( -2.297 -1.861 1.230) 3.202 5.136 ( -2.610 0.697 3.739) 4.613 5.171 ( -3.632 -2.088 -1.736) 4.535 5.246 ( 1.246 -4.819 4.447) 6.674 5.321 ( -0.738 -4.321 -2.826) 5.215 5.450 ( 2.070 -0.355 -1.561) 2.617 5.557 ( -0.717 -2.372 0.324) 2.499 5.640 ( 0.483 -4.365 2.763) 5.189 5.652 ( 3.760 -3.140 -3.287) 5.899 5.692 ( 2.784 0.350 -1.039) 2.992 5.784 ( 1.263 -2.027 -2.351) 3.351 6.085 ( 7.095 2.314 2.131) 7.761 6.184 ( 4.375 0.959 0.687) 4.531 6.220 ( 0.524 19.189 -0.724) 19.210 6.435 ( -1.004 7.186 2.469) 7.664 6.590 ( -0.350 3.012 0.599) 3.091 6.689 ( -1.086 9.468 -0.044) 9.530 6.731 ( 2.288 9.132 -2.368) 9.707 6.824 ( -0.544 1.384 1.118) 1.861 6.938 ( 0.308 2.635 -0.371) 2.679 7.090 ( 1.320 -8.519 -0.657) 8.645 7.517 ( 0.169 -2.885 -0.040) 2.890 7.650 ( 0.184 -1.253 -0.099) 1.270 8.485 ( -0.095 -6.936 -0.072) 6.937 8.595 ( -0.140 -8.927 0.038) 8.929 10.272 ( 0.021 -1.974 0.049) 1.974 10.390 ( -0.089 -9.393 0.055) 9.393 11.485 ( -0.096 10.239 0.002) 10.240 11.849 ( 0.014 -5.847 -0.015) 5.848 12.897 ( 1.205 8.337 -0.099) 8.424 13.023 ( -0.995 5.060 0.356) 5.169 13.093 ( -0.541 9.982 -0.375) 10.004 13.658 ( 0.286 -13.295 0.320) 13.302 13.870 ( -0.470 3.143 -0.253) 3.188 14.164 ( -0.053 -7.609 0.047) 7.609 ======================= Grid point 163 (74/77) ======================= q-point: ( 0.40 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 2.591 2.516 -0.309) 3.625 1.913 ( 2.144 -0.894 0.021) 2.323 2.129 ( 6.194 9.629 1.576) 11.557 2.272 ( -1.552 3.627 -1.123) 4.101 2.304 ( 17.169 2.790 1.166) 17.434 2.563 ( 7.042 5.876 0.509) 9.186 2.617 ( -7.169 4.793 -1.388) 8.735 2.665 ( 5.863 -3.774 0.688) 7.007 2.701 ( -4.429 5.742 -0.785) 7.294 2.871 ( 0.492 5.173 -1.845) 5.514 2.907 ( -5.283 7.194 1.442) 9.041 2.911 ( -5.987 -3.368 -5.858) 9.028 3.115 ( 1.638 7.481 1.118) 7.739 3.248 ( -1.959 -1.990 1.975) 3.421 3.344 ( -0.221 -1.958 5.129) 5.494 3.407 ( 0.247 7.143 2.010) 7.425 3.449 ( -1.010 15.184 1.534) 15.294 3.516 ( -2.297 13.293 -3.217) 13.868 3.614 ( 0.820 8.653 -0.674) 8.718 3.771 ( 1.231 3.136 -0.526) 3.410 3.802 ( 2.112 -0.395 -2.215) 3.086 3.960 ( 0.242 7.251 2.616) 7.712 3.996 ( 1.185 -0.017 -2.020) 2.342 4.108 ( 5.087 7.943 2.540) 9.768 4.147 ( 5.246 -7.061 -4.175) 9.737 4.187 ( 0.272 -8.778 3.167) 9.336 4.244 ( 0.145 1.724 -1.116) 2.058 4.295 ( -1.208 5.938 -0.677) 6.098 4.405 ( -2.157 -4.092 0.533) 4.656 4.472 ( -6.733 2.354 -2.428) 7.535 4.497 ( -0.993 0.660 0.015) 1.193 4.531 ( 0.460 -6.788 -2.709) 7.323 4.581 ( 0.225 0.037 2.138) 2.150 4.668 ( -3.295 -1.915 -0.801) 3.894 4.692 ( -2.639 -6.525 1.580) 7.213 4.825 ( -4.674 -4.217 1.865) 6.565 4.841 ( -3.142 -2.987 -0.054) 4.336 4.861 ( -0.707 -2.346 -0.162) 2.456 5.072 ( -2.591 4.732 1.891) 5.717 5.158 ( 0.847 -0.916 -1.635) 2.057 5.302 ( 1.242 -6.885 3.342) 7.754 5.328 ( 1.038 -6.166 -0.635) 6.285 5.482 ( 0.830 -0.476 -2.160) 2.363 5.538 ( 0.083 -3.581 -0.715) 3.652 5.662 ( 0.542 -1.051 2.051) 2.368 5.697 ( 1.333 -2.123 -0.649) 2.590 5.740 ( 1.484 1.431 -0.833) 2.224 5.800 ( 1.224 -0.551 -1.916) 2.340 6.186 ( 0.827 13.114 1.377) 13.212 6.240 ( 2.830 10.480 -0.460) 10.865 6.284 ( 2.942 -3.621 0.262) 4.673 6.433 ( 0.019 6.771 0.817) 6.820 6.571 ( -1.731 0.377 1.517) 2.333 6.670 ( -0.359 11.498 -0.315) 11.508 6.756 ( 0.837 9.587 -1.435) 9.730 6.854 ( 2.845 3.402 0.121) 4.437 6.920 ( -2.119 3.085 0.203) 3.748 7.108 ( 0.561 -11.743 -0.463) 11.766 7.520 ( 0.112 -2.660 -0.031) 2.663 7.653 ( 0.122 -0.982 -0.062) 0.991 8.482 ( -0.074 -6.936 -0.055) 6.937 8.592 ( -0.078 -9.050 0.029) 9.050 10.273 ( 0.018 -2.001 0.030) 2.001 10.388 ( -0.059 -9.439 0.034) 9.439 11.483 ( -0.058 10.428 0.001) 10.428 11.850 ( 0.009 -5.879 -0.009) 5.879 12.924 ( 1.170 5.358 -0.122) 5.485 13.003 ( -0.950 9.557 0.310) 9.609 13.080 ( -0.425 9.233 -0.257) 9.246 13.665 ( 0.179 -13.514 0.202) 13.516 13.860 ( -0.290 3.186 -0.164) 3.203 14.163 ( -0.033 -7.894 0.028) 7.894 ======================= Grid point 166 (75/77) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.000 -1.587 0.000) 1.587 1.679 ( 0.000 1.587 0.000) 1.587 1.928 ( 0.000 -3.287 0.000) 3.287 1.928 ( -0.000 3.287 0.000) 3.287 2.262 ( -0.000 -6.074 0.000) 6.074 2.262 ( -0.000 6.074 0.000) 6.074 2.728 ( -0.000 -4.464 0.000) 4.464 2.728 ( -0.000 4.464 -0.000) 4.464 2.939 ( 0.000 -8.725 0.000) 8.725 2.939 ( -0.000 8.725 0.000) 8.725 3.081 ( 0.000 -5.167 0.000) 5.167 3.081 ( -0.000 5.167 0.000) 5.167 3.186 ( -0.000 -5.203 0.000) 5.203 3.186 ( 0.000 5.203 0.000) 5.203 3.364 ( -0.000 -3.492 0.000) 3.492 3.364 ( 0.000 3.492 0.000) 3.492 3.674 ( 0.000 -4.486 -0.000) 4.486 3.674 ( 0.000 4.486 0.000) 4.486 3.835 ( -0.000 -5.560 0.000) 5.560 3.835 ( -0.000 5.560 0.000) 5.560 3.861 ( 0.000 -6.446 -0.000) 6.446 3.861 ( 0.000 6.446 -0.000) 6.446 3.906 ( -0.000 -3.831 0.000) 3.831 3.906 ( 0.000 3.831 -0.000) 3.831 4.048 ( -0.000 -5.459 0.000) 5.459 4.048 ( -0.000 5.459 0.000) 5.459 4.296 ( -0.000 -5.129 0.000) 5.129 4.296 ( 0.000 5.129 0.000) 5.129 4.454 ( -0.000 -9.597 -0.000) 9.597 4.454 ( 0.000 9.597 0.000) 9.597 4.508 ( -0.000 -8.432 0.000) 8.432 4.508 ( -0.000 8.432 0.000) 8.432 4.749 ( 0.000 -3.171 0.000) 3.171 4.749 ( -0.000 3.171 0.000) 3.171 4.842 ( 0.000 -1.122 0.000) 1.122 4.842 ( 0.000 1.122 0.000) 1.122 4.921 ( -0.000 -0.413 0.000) 0.413 4.921 ( 0.000 0.413 0.000) 0.413 5.149 ( -0.000 -0.491 -0.000) 0.491 5.149 ( -0.000 0.491 0.000) 0.491 5.290 ( -0.000 -3.240 -0.000) 3.240 5.290 ( 0.000 3.240 0.000) 3.240 5.502 ( -0.000 -4.457 0.000) 4.457 5.502 ( 0.000 4.457 -0.000) 4.457 5.561 ( 0.000 -0.831 0.000) 0.831 5.561 ( -0.000 0.831 0.000) 0.831 5.697 ( -0.000 -2.784 0.000) 2.784 5.697 ( 0.000 2.784 0.000) 2.784 6.065 ( -0.000 -3.729 0.000) 3.729 6.065 ( -0.000 3.729 0.000) 3.729 6.525 ( 0.000 -1.269 0.000) 1.269 6.525 ( -0.000 1.269 0.000) 1.269 6.665 ( -0.000 -11.026 0.000) 11.026 6.665 ( -0.000 11.026 0.000) 11.026 6.884 ( 0.000 -6.495 -0.000) 6.495 6.884 ( 0.000 6.495 -0.000) 6.495 6.933 ( -0.000 -7.008 0.000) 7.008 6.933 ( -0.000 7.008 0.000) 7.008 7.571 ( 0.000 -5.521 0.000) 5.521 7.571 ( 0.000 5.521 0.000) 5.521 8.461 ( 0.000 -3.709 0.000) 3.709 8.461 ( 0.000 3.709 0.000) 3.709 10.270 ( -0.000 -2.475 0.000) 2.475 10.270 ( -0.000 2.475 0.000) 2.475 11.686 ( 0.000 -9.237 0.000) 9.237 11.686 ( -0.000 9.237 0.000) 9.237 13.019 ( 0.000 -4.054 0.000) 4.054 13.019 ( 0.000 4.054 0.000) 4.054 13.368 ( 0.000 -14.093 0.000) 14.093 13.368 ( -0.000 14.093 0.000) 14.093 13.998 ( -0.000 -7.925 0.000) 7.925 13.998 ( -0.000 7.925 0.000) 7.925 ======================= Grid point 170 (76/77) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 5.892 -2.325 -0.332) 6.343 1.750 ( 5.892 2.325 -0.332) 6.343 2.055 ( 10.778 -1.724 0.819) 10.945 2.055 ( 10.778 1.724 0.819) 10.945 2.306 ( 4.788 -6.694 -0.991) 8.290 2.306 ( 4.788 6.694 -0.991) 8.290 2.706 ( -1.637 -4.753 -2.039) 5.425 2.706 ( -1.637 4.753 -2.039) 5.425 2.922 ( -1.998 -6.888 -2.371) 7.554 2.922 ( -1.998 6.888 -2.371) 7.554 3.069 ( -1.954 -7.134 1.455) 7.539 3.069 ( -1.954 7.134 1.455) 7.539 3.169 ( -2.114 -7.040 4.913) 8.841 3.169 ( -2.114 7.040 4.913) 8.841 3.372 ( 0.900 -6.225 0.889) 6.352 3.372 ( 0.900 6.225 0.889) 6.352 3.673 ( -0.083 -3.303 -0.311) 3.319 3.673 ( -0.083 3.303 -0.311) 3.319 3.795 ( -1.850 -6.151 0.369) 6.434 3.795 ( -1.850 6.151 0.369) 6.434 3.886 ( 1.292 -8.706 -0.478) 8.815 3.886 ( 1.292 8.707 -0.478) 8.815 3.951 ( 3.592 -4.397 -2.083) 6.047 3.951 ( 3.592 4.397 -2.083) 6.047 4.073 ( 3.318 -7.038 -0.512) 7.798 4.073 ( 3.318 7.038 -0.512) 7.798 4.292 ( -1.586 -6.362 -0.251) 6.562 4.292 ( -1.586 6.362 -0.251) 6.562 4.421 ( -0.300 -7.740 -3.052) 8.326 4.421 ( -0.300 7.741 -3.052) 8.326 4.508 ( -0.898 -7.665 1.656) 7.893 4.508 ( -0.898 7.665 1.656) 7.893 4.672 ( -6.298 -1.722 1.886) 6.796 4.672 ( -6.298 1.722 1.886) 6.796 4.832 ( -0.708 -1.144 -0.429) 1.412 4.832 ( -0.708 1.144 -0.429) 1.412 4.917 ( -3.290 -0.651 -1.099) 3.529 4.917 ( -3.290 0.651 -1.099) 3.529 5.153 ( -0.047 -1.453 1.220) 1.898 5.153 ( -0.047 1.453 1.220) 1.898 5.231 ( -3.645 -3.458 2.379) 5.559 5.231 ( -3.645 3.458 2.379) 5.559 5.490 ( 0.075 -3.558 -1.997) 4.081 5.490 ( 0.075 3.558 -1.997) 4.081 5.606 ( 2.993 -0.899 1.345) 3.402 5.606 ( 2.993 0.899 1.345) 3.402 5.727 ( 2.932 -2.727 -1.455) 4.260 5.727 ( 2.932 2.727 -1.455) 4.260 6.128 ( 5.071 -2.885 -0.201) 5.838 6.128 ( 5.071 2.885 -0.201) 5.838 6.519 ( -0.782 -4.306 0.722) 4.436 6.519 ( -0.782 4.306 0.722) 4.436 6.679 ( 1.144 -12.646 0.365) 12.703 6.679 ( 1.144 12.646 0.365) 12.703 6.887 ( -0.073 -6.601 0.452) 6.617 6.887 ( -0.073 6.601 0.452) 6.617 6.929 ( 0.113 -6.382 -0.996) 6.460 6.929 ( 0.113 6.382 -0.996) 6.460 7.574 ( 0.327 -5.521 -0.168) 5.533 7.574 ( 0.327 5.521 -0.168) 5.533 8.459 ( -0.164 -3.687 0.011) 3.691 8.459 ( -0.164 3.687 0.011) 3.691 10.269 ( -0.062 -2.424 0.058) 2.425 10.269 ( -0.062 2.424 0.058) 2.425 11.686 ( -0.001 -9.249 -0.035) 9.249 11.686 ( -0.001 9.249 -0.035) 9.249 13.020 ( 0.165 -3.904 -0.045) 3.907 13.020 ( 0.165 3.904 -0.045) 3.907 13.368 ( -0.024 -14.455 0.074) 14.455 13.368 ( -0.024 14.455 0.074) 14.455 13.994 ( -0.348 -8.089 -0.018) 8.096 13.994 ( -0.348 8.089 -0.018) 8.096 ======================= Grid point 172 (77/77) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 2.777 -4.009 -0.073) 4.877 1.848 ( 2.777 4.009 -0.073) 4.877 2.265 ( 5.961 -3.317 2.568) 7.289 2.265 ( 5.961 3.317 2.568) 7.289 2.458 ( 10.935 -10.405 -3.607) 15.519 2.458 ( 10.934 10.405 -3.607) 15.519 2.654 ( -2.031 -1.080 -0.596) 2.376 2.654 ( -2.031 1.080 -0.596) 2.376 2.793 ( -8.785 -4.532 -1.692) 10.028 2.793 ( -8.785 4.532 -1.692) 10.029 3.037 ( -1.127 -6.900 1.327) 7.117 3.037 ( -1.127 6.900 1.327) 7.117 3.170 ( -0.399 -9.960 2.987) 10.406 3.170 ( -0.399 9.960 2.987) 10.406 3.406 ( 1.419 -9.100 0.491) 9.223 3.406 ( 1.419 9.100 0.491) 9.223 3.660 ( -1.018 -0.798 0.681) 1.462 3.660 ( -1.018 0.798 0.681) 1.462 3.787 ( 0.571 -6.588 -0.552) 6.636 3.787 ( 0.571 6.588 -0.552) 6.636 3.913 ( 1.016 -12.508 0.791) 12.574 3.913 ( 1.016 12.508 0.791) 12.574 3.992 ( 1.805 -1.501 -1.215) 2.643 3.992 ( 1.805 1.501 -1.215) 2.643 4.137 ( 0.285 -8.442 -3.070) 8.987 4.137 ( 0.285 8.442 -3.070) 8.987 4.266 ( 2.891 -8.241 -0.021) 8.733 4.266 ( 2.891 8.241 -0.021) 8.733 4.424 ( -2.263 -1.486 -0.033) 2.707 4.424 ( -2.263 1.486 -0.033) 2.707 4.486 ( 1.442 -1.200 -0.260) 1.894 4.486 ( 1.442 1.200 -0.260) 1.894 4.599 ( -1.390 -0.960 1.730) 2.418 4.599 ( -1.390 0.960 1.730) 2.418 4.741 ( -9.071 -4.245 -0.013) 10.015 4.741 ( -9.071 4.245 -0.013) 10.015 4.826 ( -0.784 -1.167 0.248) 1.428 4.826 ( -0.784 1.167 0.248) 1.428 5.174 ( 1.054 -1.222 0.092) 1.616 5.174 ( 1.054 1.222 0.092) 1.616 5.202 ( -0.747 -3.845 0.864) 4.011 5.202 ( -0.747 3.845 0.864) 4.011 5.489 ( 0.388 -1.323 -1.131) 1.783 5.489 ( 0.388 1.323 -1.131) 1.783 5.666 ( 1.683 -0.943 1.205) 2.274 5.666 ( 1.683 0.943 1.205) 2.274 5.772 ( 1.622 -1.800 -1.033) 2.634 5.772 ( 1.622 1.800 -1.033) 2.634 6.216 ( 2.753 -1.396 0.008) 3.087 6.216 ( 2.753 1.396 0.008) 3.087 6.506 ( -0.541 -6.039 0.393) 6.076 6.506 ( -0.541 6.039 0.393) 6.076 6.706 ( 1.014 -15.461 0.149) 15.495 6.706 ( 1.014 15.461 0.149) 15.495 6.878 ( -0.746 -5.066 0.425) 5.138 6.878 ( -0.746 5.066 0.425) 5.138 6.931 ( 0.351 -6.517 -0.718) 6.566 6.931 ( 0.351 6.517 -0.718) 6.566 7.579 ( 0.198 -5.533 -0.105) 5.538 7.579 ( 0.198 5.534 -0.105) 5.538 8.456 ( -0.097 -3.663 0.010) 3.665 8.456 ( -0.097 3.663 0.010) 3.665 10.268 ( -0.038 -2.338 0.036) 2.339 10.268 ( -0.038 2.339 0.036) 2.339 11.686 ( -0.001 -9.268 -0.022) 9.268 11.686 ( -0.001 9.268 -0.022) 9.268 13.023 ( 0.103 -3.638 -0.027) 3.639 13.023 ( 0.103 3.638 -0.027) 3.640 13.368 ( -0.014 -15.035 0.046) 15.035 13.368 ( -0.014 15.035 0.046) 15.035 13.988 ( -0.216 -8.354 -0.011) 8.357 13.988 ( -0.216 8.354 -0.011) 8.357 =================== 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 3/17280 10.0 513.385 400.089 514.913 0.000 124.516 0.000 3/17280 20.0 100.553 136.592 104.805 0.000 18.390 0.000 3/17280 30.0 41.850 69.751 40.934 0.000 7.325 0.000 3/17280 40.0 23.294 42.050 21.996 0.000 3.976 0.000 3/17280 50.0 15.243 28.552 14.127 0.000 2.536 0.000 3/17280 60.0 11.064 21.144 10.143 0.000 1.800 0.000 3/17280 70.0 8.606 16.653 7.837 0.000 1.374 0.000 3/17280 80.0 7.023 13.704 6.366 0.000 1.104 0.000 3/17280 90.0 5.929 11.644 5.359 0.000 0.920 0.000 3/17280 100.0 5.132 10.131 4.629 0.000 0.789 0.000 3/17280 110.0 4.527 8.976 4.077 0.000 0.690 0.000 3/17280 120.0 4.053 8.066 3.646 0.000 0.614 0.000 3/17280 130.0 3.671 7.331 3.300 0.000 0.553 0.000 3/17280 140.0 3.357 6.724 3.016 0.000 0.503 0.000 3/17280 150.0 3.094 6.214 2.778 0.000 0.462 0.000 3/17280 160.0 2.870 5.779 2.577 0.000 0.427 0.000 3/17280 170.0 2.677 5.403 2.403 0.000 0.397 0.000 3/17280 180.0 2.510 5.075 2.252 0.000 0.371 0.000 3/17280 190.0 2.362 4.786 2.120 0.000 0.349 0.000 3/17280 200.0 2.232 4.530 2.002 0.000 0.329 0.000 3/17280 210.0 2.116 4.300 1.898 0.000 0.311 0.000 3/17280 220.0 2.011 4.093 1.804 0.000 0.296 0.000 3/17280 230.0 1.917 3.906 1.719 0.000 0.281 0.000 3/17280 240.0 1.831 3.736 1.642 0.000 0.268 0.000 3/17280 250.0 1.753 3.580 1.572 0.000 0.257 0.000 3/17280 260.0 1.681 3.437 1.507 0.000 0.246 0.000 3/17280 270.0 1.615 3.305 1.448 0.000 0.236 0.000 3/17280 280.0 1.554 3.184 1.394 0.000 0.227 0.000 3/17280 290.0 1.498 3.071 1.343 0.000 0.219 0.000 3/17280 300.0 1.445 2.966 1.296 0.000 0.211 0.000 3/17280 310.0 1.397 2.868 1.252 0.000 0.204 0.000 3/17280 320.0 1.351 2.776 1.212 0.000 0.197 0.000 3/17280 330.0 1.309 2.690 1.173 0.000 0.191 0.000 3/17280 340.0 1.269 2.609 1.138 0.000 0.185 0.000 3/17280 350.0 1.231 2.533 1.104 0.000 0.179 0.000 3/17280 360.0 1.196 2.462 1.072 0.000 0.174 0.000 3/17280 370.0 1.163 2.394 1.042 0.000 0.169 0.000 3/17280 380.0 1.131 2.330 1.014 0.000 0.165 0.000 3/17280 390.0 1.101 2.270 0.987 0.000 0.160 0.000 3/17280 400.0 1.073 2.212 0.962 0.000 0.156 0.000 3/17280 410.0 1.046 2.158 0.938 0.000 0.152 0.000 3/17280 420.0 1.021 2.106 0.915 0.000 0.148 0.000 3/17280 430.0 0.996 2.056 0.893 0.000 0.145 0.000 3/17280 440.0 0.973 2.009 0.873 0.000 0.141 0.000 3/17280 450.0 0.951 1.964 0.853 0.000 0.138 0.000 3/17280 460.0 0.930 1.921 0.834 0.000 0.135 0.000 3/17280 470.0 0.910 1.880 0.816 0.000 0.132 0.000 3/17280 480.0 0.891 1.840 0.798 0.000 0.129 0.000 3/17280 490.0 0.872 1.802 0.782 0.000 0.127 0.000 3/17280 500.0 0.854 1.766 0.766 0.000 0.124 0.000 3/17280 510.0 0.837 1.731 0.751 0.000 0.122 0.000 3/17280 520.0 0.821 1.698 0.736 0.000 0.119 0.000 3/17280 530.0 0.805 1.666 0.722 0.000 0.117 0.000 3/17280 540.0 0.790 1.635 0.708 0.000 0.115 0.000 3/17280 550.0 0.776 1.605 0.695 0.000 0.113 0.000 3/17280 560.0 0.762 1.576 0.683 0.000 0.110 0.000 3/17280 570.0 0.748 1.548 0.671 0.000 0.108 0.000 3/17280 580.0 0.735 1.521 0.659 0.000 0.107 0.000 3/17280 590.0 0.722 1.495 0.648 0.000 0.105 0.000 3/17280 600.0 0.710 1.470 0.637 0.000 0.103 0.000 3/17280 610.0 0.699 1.446 0.626 0.000 0.101 0.000 3/17280 620.0 0.687 1.423 0.616 0.000 0.100 0.000 3/17280 630.0 0.676 1.400 0.606 0.000 0.098 0.000 3/17280 640.0 0.665 1.378 0.596 0.000 0.096 0.000 3/17280 650.0 0.655 1.357 0.587 0.000 0.095 0.000 3/17280 660.0 0.645 1.336 0.578 0.000 0.093 0.000 3/17280 670.0 0.635 1.316 0.570 0.000 0.092 0.000 3/17280 680.0 0.626 1.297 0.561 0.000 0.091 0.000 3/17280 690.0 0.617 1.278 0.553 0.000 0.089 0.000 3/17280 700.0 0.608 1.260 0.545 0.000 0.088 0.000 3/17280 710.0 0.599 1.242 0.537 0.000 0.087 0.000 3/17280 720.0 0.591 1.225 0.530 0.000 0.086 0.000 3/17280 730.0 0.583 1.208 0.522 0.000 0.084 0.000 3/17280 740.0 0.575 1.191 0.515 0.000 0.083 0.000 3/17280 750.0 0.567 1.176 0.508 0.000 0.082 0.000 3/17280 760.0 0.560 1.160 0.502 0.000 0.081 0.000 3/17280 770.0 0.552 1.145 0.495 0.000 0.080 0.000 3/17280 780.0 0.545 1.130 0.489 0.000 0.079 0.000 3/17280 790.0 0.538 1.116 0.482 0.000 0.078 0.000 3/17280 800.0 0.531 1.102 0.476 0.000 0.077 0.000 3/17280 810.0 0.525 1.088 0.470 0.000 0.076 0.000 3/17280 820.0 0.518 1.075 0.465 0.000 0.075 0.000 3/17280 830.0 0.512 1.062 0.459 0.000 0.074 0.000 3/17280 840.0 0.506 1.049 0.454 0.000 0.073 0.000 3/17280 850.0 0.500 1.037 0.448 0.000 0.072 0.000 3/17280 860.0 0.494 1.025 0.443 0.000 0.072 0.000 3/17280 870.0 0.488 1.013 0.438 0.000 0.071 0.000 3/17280 880.0 0.483 1.002 0.433 0.000 0.070 0.000 3/17280 890.0 0.477 0.990 0.428 0.000 0.069 0.000 3/17280 900.0 0.472 0.979 0.423 0.000 0.068 0.000 3/17280 910.0 0.467 0.969 0.419 0.000 0.068 0.000 3/17280 920.0 0.462 0.958 0.414 0.000 0.067 0.000 3/17280 930.0 0.457 0.948 0.409 0.000 0.066 0.000 3/17280 940.0 0.452 0.938 0.405 0.000 0.065 0.000 3/17280 950.0 0.447 0.928 0.401 0.000 0.065 0.000 3/17280 960.0 0.443 0.918 0.397 0.000 0.064 0.000 3/17280 970.0 0.438 0.909 0.393 0.000 0.063 0.000 3/17280 980.0 0.433 0.899 0.388 0.000 0.063 0.000 3/17280 990.0 0.429 0.890 0.385 0.000 0.062 0.000 3/17280 1000.0 0.425 0.881 0.381 0.000 0.061 0.000 3/17280 Thermal conductivity related properties were written into "kappa-m5124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:54:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|