----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:00:19]------------------------- 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 (4) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.712453440009412 0.000000000000000 0.000000000000000 b 0.000000000000000 4.774367079999999 0.000000000000000 c -0.247103247721595 0.000000000000000 11.390599761444316 Atomic positions (fractional): *1 Ba 0.74892507182361 0.26012354852615 0.90349966581736 137.327 2 Ba 0.25107492817639 0.76012354852615 0.09650033418264 137.327 *3 Na 0.81709251907551 0.24416723855059 0.51456060329689 22.990 *4 Na 0.30086957824746 0.24628674420725 0.32119471638149 22.990 5 Na 0.18290748092449 0.74416723855059 0.48543939670311 22.990 6 Na 0.69913042175254 0.74628674420725 0.67880528361851 22.990 *7 Si 0.77969040283103 0.19575613519159 0.19382643693305 28.085 *8 Si 0.67913489608931 0.70406301249176 0.34674657929621 28.085 9 Si 0.22030959716897 0.69575613519159 0.80617356306695 28.085 10 Si 0.32086510391069 0.20406301249176 0.65325342070379 28.085 *11 O 0.59829646704597 0.24913386436991 0.67914366344723 15.999 *12 O 0.25124008446560 0.86786551305835 0.67974348821629 15.999 *13 O 0.22420722439259 0.26538131780716 0.52208980870324 15.999 *14 O 0.54067495839709 0.22295736216707 0.11624125752541 15.999 *15 O 0.01380016105955 0.27509234759408 0.12403365092591 15.999 *16 O 0.17075282736668 0.37017290603606 0.75706674698838 15.999 17 O 0.98619983894044 0.77509234759408 0.87596634907409 15.999 18 O 0.40170353295403 0.74913386436991 0.32085633655277 15.999 19 O 0.77579277560741 0.76538131780716 0.47791019129676 15.999 20 O 0.82924717263332 0.87017290603606 0.24293325301162 15.999 21 O 0.74875991553440 0.36786551305835 0.32025651178371 15.999 22 O 0.45932504160291 0.72295736216707 0.88375874247459 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.712453440009412 0.000000000000000 0.000000000000000 b 0.000000000000000 4.774367079999999 0.000000000000000 c -0.247103247721595 0.000000000000000 11.390599761444316 Atomic positions (fractional): *1 Ba 0.74892507182361 0.26012354852615 0.90349966581736 137.327 > 1 2 Ba 0.25107492817639 0.76012354852615 0.09650033418264 137.327 > 2 *3 Na 0.81709251907551 0.24416723855059 0.51456060329689 22.990 > 3 *4 Na 0.30086957824746 0.24628674420725 0.32119471638149 22.990 > 4 5 Na 0.18290748092449 0.74416723855059 0.48543939670311 22.990 > 5 6 Na 0.69913042175254 0.74628674420725 0.67880528361851 22.990 > 6 *7 Si 0.77969040283103 0.19575613519159 0.19382643693305 28.085 > 7 *8 Si 0.67913489608931 0.70406301249176 0.34674657929621 28.085 > 8 9 Si 0.22030959716897 0.69575613519159 0.80617356306695 28.085 > 9 10 Si 0.32086510391069 0.20406301249176 0.65325342070379 28.085 > 10 *11 O 0.59829646704597 0.24913386436991 0.67914366344723 15.999 > 11 *12 O 0.25124008446560 0.86786551305835 0.67974348821629 15.999 > 12 *13 O 0.22420722439259 0.26538131780716 0.52208980870324 15.999 > 13 *14 O 0.54067495839709 0.22295736216707 0.11624125752541 15.999 > 14 *15 O 0.01380016105955 0.27509234759408 0.12403365092591 15.999 > 15 *16 O 0.17075282736668 0.37017290603606 0.75706674698838 15.999 > 16 17 O 0.98619983894044 0.77509234759408 0.87596634907409 15.999 > 17 18 O 0.40170353295403 0.74913386436991 0.32085633655277 15.999 > 18 19 O 0.77579277560741 0.76538131780716 0.47791019129676 15.999 > 19 20 O 0.82924717263332 0.87017290603606 0.24293325301162 15.999 > 20 21 O 0.74875991553440 0.36786551305835 0.32025651178371 15.999 > 21 22 O 0.45932504160291 0.72295736216707 0.88375874247459 15.999 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.424906880018824 0.000000000000000 0.000000000000000 b 0.000000000000000 14.323101239999998 0.000000000000000 c -0.247103247721595 0.000000000000000 11.390599761444316 Atomic positions (fractional): *1 Ba 0.37446253591180 0.08670784950872 0.90349966581736 137.327 > 1 2 Ba 0.87446253591180 0.08670784950872 0.90349966581736 137.327 > 1 3 Ba 0.37446253591180 0.42004118284205 0.90349966581736 137.327 > 1 4 Ba 0.87446253591180 0.42004118284205 0.90349966581736 137.327 > 1 5 Ba 0.37446253591180 0.75337451617538 0.90349966581736 137.327 > 1 6 Ba 0.87446253591180 0.75337451617538 0.90349966581736 137.327 > 1 7 Ba 0.12553746408820 0.25337451617538 0.09650033418264 137.327 > 2 8 Ba 0.62553746408820 0.25337451617538 0.09650033418264 137.327 > 2 9 Ba 0.12553746408820 0.58670784950872 0.09650033418264 137.327 > 2 10 Ba 0.62553746408820 0.58670784950872 0.09650033418264 137.327 > 2 11 Ba 0.12553746408820 0.92004118284205 0.09650033418264 137.327 > 2 12 Ba 0.62553746408820 0.92004118284205 0.09650033418264 137.327 > 2 *13 Na 0.40854625953776 0.08138907951686 0.51456060329689 22.990 > 3 14 Na 0.90854625953776 0.08138907951686 0.51456060329689 22.990 > 3 15 Na 0.40854625953776 0.41472241285020 0.51456060329689 22.990 > 3 16 Na 0.90854625953776 0.41472241285020 0.51456060329689 22.990 > 3 17 Na 0.40854625953776 0.74805574618353 0.51456060329689 22.990 > 3 18 Na 0.90854625953776 0.74805574618353 0.51456060329689 22.990 > 3 *19 Na 0.15043478912373 0.08209558140242 0.32119471638149 22.990 > 4 20 Na 0.65043478912373 0.08209558140242 0.32119471638149 22.990 > 4 21 Na 0.15043478912373 0.41542891473575 0.32119471638149 22.990 > 4 22 Na 0.65043478912373 0.41542891473575 0.32119471638149 22.990 > 4 23 Na 0.15043478912373 0.74876224806908 0.32119471638149 22.990 > 4 24 Na 0.65043478912373 0.74876224806908 0.32119471638149 22.990 > 4 25 Na 0.09145374046224 0.24805574618353 0.48543939670311 22.990 > 5 26 Na 0.59145374046224 0.24805574618353 0.48543939670311 22.990 > 5 27 Na 0.09145374046224 0.58138907951686 0.48543939670311 22.990 > 5 28 Na 0.59145374046224 0.58138907951686 0.48543939670311 22.990 > 5 29 Na 0.09145374046224 0.91472241285020 0.48543939670311 22.990 > 5 30 Na 0.59145374046224 0.91472241285020 0.48543939670311 22.990 > 5 31 Na 0.34956521087627 0.24876224806908 0.67880528361851 22.990 > 6 32 Na 0.84956521087627 0.24876224806908 0.67880528361851 22.990 > 6 33 Na 0.34956521087627 0.58209558140242 0.67880528361851 22.990 > 6 34 Na 0.84956521087627 0.58209558140242 0.67880528361851 22.990 > 6 35 Na 0.34956521087627 0.91542891473575 0.67880528361851 22.990 > 6 36 Na 0.84956521087627 0.91542891473575 0.67880528361851 22.990 > 6 *37 Si 0.38984520141551 0.06525204506386 0.19382643693305 28.085 > 7 38 Si 0.88984520141551 0.06525204506386 0.19382643693305 28.085 > 7 39 Si 0.38984520141551 0.39858537839720 0.19382643693305 28.085 > 7 40 Si 0.88984520141551 0.39858537839720 0.19382643693305 28.085 > 7 41 Si 0.38984520141551 0.73191871173053 0.19382643693305 28.085 > 7 42 Si 0.88984520141551 0.73191871173053 0.19382643693305 28.085 > 7 *43 Si 0.33956744804466 0.23468767083059 0.34674657929621 28.085 > 8 44 Si 0.83956744804466 0.23468767083059 0.34674657929621 28.085 > 8 45 Si 0.33956744804466 0.56802100416392 0.34674657929621 28.085 > 8 46 Si 0.83956744804466 0.56802100416392 0.34674657929621 28.085 > 8 47 Si 0.33956744804466 0.90135433749725 0.34674657929621 28.085 > 8 48 Si 0.83956744804466 0.90135433749725 0.34674657929621 28.085 > 8 49 Si 0.11015479858449 0.23191871173053 0.80617356306695 28.085 > 9 50 Si 0.61015479858449 0.23191871173053 0.80617356306695 28.085 > 9 51 Si 0.11015479858449 0.56525204506386 0.80617356306695 28.085 > 9 52 Si 0.61015479858449 0.56525204506386 0.80617356306695 28.085 > 9 53 Si 0.11015479858449 0.89858537839720 0.80617356306695 28.085 > 9 54 Si 0.61015479858449 0.89858537839720 0.80617356306695 28.085 > 9 55 Si 0.16043255195534 0.06802100416392 0.65325342070379 28.085 > 10 56 Si 0.66043255195534 0.06802100416392 0.65325342070379 28.085 > 10 57 Si 0.16043255195534 0.40135433749725 0.65325342070379 28.085 > 10 58 Si 0.66043255195534 0.40135433749725 0.65325342070379 28.085 > 10 59 Si 0.16043255195534 0.73468767083059 0.65325342070379 28.085 > 10 60 Si 0.66043255195534 0.73468767083059 0.65325342070379 28.085 > 10 *61 O 0.29914823352299 0.08304462145664 0.67914366344723 15.999 > 11 62 O 0.79914823352299 0.08304462145664 0.67914366344723 15.999 > 11 63 O 0.29914823352299 0.41637795478997 0.67914366344723 15.999 > 11 64 O 0.79914823352299 0.41637795478997 0.67914366344723 15.999 > 11 65 O 0.29914823352299 0.74971128812330 0.67914366344723 15.999 > 11 66 O 0.79914823352299 0.74971128812330 0.67914366344723 15.999 > 11 *67 O 0.12562004223280 0.28928850435278 0.67974348821629 15.999 > 12 68 O 0.62562004223280 0.28928850435278 0.67974348821629 15.999 > 12 69 O 0.12562004223280 0.62262183768612 0.67974348821629 15.999 > 12 70 O 0.62562004223280 0.62262183768612 0.67974348821629 15.999 > 12 71 O 0.12562004223280 0.95595517101945 0.67974348821629 15.999 > 12 72 O 0.62562004223280 0.95595517101945 0.67974348821629 15.999 > 12 *73 O 0.11210361219629 0.08846043926905 0.52208980870324 15.999 > 13 74 O 0.61210361219630 0.08846043926905 0.52208980870324 15.999 > 13 75 O 0.11210361219629 0.42179377260239 0.52208980870324 15.999 > 13 76 O 0.61210361219630 0.42179377260239 0.52208980870324 15.999 > 13 77 O 0.11210361219629 0.75512710593572 0.52208980870324 15.999 > 13 78 O 0.61210361219630 0.75512710593572 0.52208980870324 15.999 > 13 *79 O 0.27033747919855 0.07431912072236 0.11624125752541 15.999 > 14 80 O 0.77033747919855 0.07431912072236 0.11624125752541 15.999 > 14 81 O 0.27033747919855 0.40765245405569 0.11624125752541 15.999 > 14 82 O 0.77033747919855 0.40765245405569 0.11624125752541 15.999 > 14 83 O 0.27033747919855 0.74098578738902 0.11624125752541 15.999 > 14 84 O 0.77033747919855 0.74098578738902 0.11624125752541 15.999 > 14 *85 O 0.00690008052978 0.09169744919803 0.12403365092591 15.999 > 15 86 O 0.50690008052978 0.09169744919803 0.12403365092591 15.999 > 15 87 O 0.00690008052978 0.42503078253136 0.12403365092591 15.999 > 15 88 O 0.50690008052978 0.42503078253136 0.12403365092591 15.999 > 15 89 O 0.00690008052978 0.75836411586469 0.12403365092591 15.999 > 15 90 O 0.50690008052978 0.75836411586469 0.12403365092591 15.999 > 15 *91 O 0.08537641368334 0.12339096867869 0.75706674698838 15.999 > 16 92 O 0.58537641368334 0.12339096867869 0.75706674698838 15.999 > 16 93 O 0.08537641368334 0.45672430201202 0.75706674698838 15.999 > 16 94 O 0.58537641368334 0.45672430201202 0.75706674698838 15.999 > 16 95 O 0.08537641368334 0.79005763534535 0.75706674698838 15.999 > 16 96 O 0.58537641368334 0.79005763534535 0.75706674698838 15.999 > 16 97 O 0.49309991947022 0.25836411586469 0.87596634907409 15.999 > 17 98 O 0.99309991947022 0.25836411586469 0.87596634907409 15.999 > 17 99 O 0.49309991947022 0.59169744919803 0.87596634907409 15.999 > 17 100 O 0.99309991947022 0.59169744919803 0.87596634907409 15.999 > 17 101 O 0.49309991947022 0.92503078253136 0.87596634907409 15.999 > 17 102 O 0.99309991947022 0.92503078253136 0.87596634907409 15.999 > 17 103 O 0.20085176647701 0.24971128812330 0.32085633655277 15.999 > 18 104 O 0.70085176647701 0.24971128812330 0.32085633655277 15.999 > 18 105 O 0.20085176647701 0.58304462145664 0.32085633655277 15.999 > 18 106 O 0.70085176647701 0.58304462145664 0.32085633655277 15.999 > 18 107 O 0.20085176647701 0.91637795478997 0.32085633655277 15.999 > 18 108 O 0.70085176647701 0.91637795478997 0.32085633655277 15.999 > 18 109 O 0.38789638780371 0.25512710593572 0.47791019129676 15.999 > 19 110 O 0.88789638780370 0.25512710593572 0.47791019129676 15.999 > 19 111 O 0.38789638780371 0.58846043926905 0.47791019129676 15.999 > 19 112 O 0.88789638780370 0.58846043926905 0.47791019129676 15.999 > 19 113 O 0.38789638780371 0.92179377260239 0.47791019129676 15.999 > 19 114 O 0.88789638780370 0.92179377260239 0.47791019129676 15.999 > 19 115 O 0.41462358631666 0.29005763534535 0.24293325301162 15.999 > 20 116 O 0.91462358631666 0.29005763534535 0.24293325301162 15.999 > 20 117 O 0.41462358631666 0.62339096867869 0.24293325301162 15.999 > 20 118 O 0.91462358631666 0.62339096867869 0.24293325301162 15.999 > 20 119 O 0.41462358631666 0.95672430201202 0.24293325301162 15.999 > 20 120 O 0.91462358631666 0.95672430201202 0.24293325301162 15.999 > 20 121 O 0.37437995776720 0.12262183768612 0.32025651178371 15.999 > 21 122 O 0.87437995776720 0.12262183768612 0.32025651178371 15.999 > 21 123 O 0.37437995776720 0.45595517101945 0.32025651178371 15.999 > 21 124 O 0.87437995776720 0.45595517101945 0.32025651178371 15.999 > 21 125 O 0.37437995776720 0.78928850435278 0.32025651178371 15.999 > 21 126 O 0.87437995776720 0.78928850435278 0.32025651178371 15.999 > 21 127 O 0.22966252080145 0.24098578738902 0.88375874247459 15.999 > 22 128 O 0.72966252080145 0.24098578738902 0.88375874247459 15.999 > 22 129 O 0.22966252080145 0.57431912072236 0.88375874247459 15.999 > 22 130 O 0.72966252080145 0.57431912072236 0.88375874247459 15.999 > 22 131 O 0.22966252080145 0.90765245405569 0.88375874247459 15.999 > 22 132 O 0.72966252080145 0.90765245405569 0.88375874247459 15.999 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7390090 0.0000000 0.0153003 0.0000000 2.7796155 0.0000000 0.0153013 0.0000000 2.8068462 -------------------------- Born effective charges -------------------------- 1 Ba 2.4982653 -0.1220169 0.0990395 -0.0897409 2.6522064 -0.0571500 0.0040845 -0.0355478 2.5461173 2 Ba 2.4982653 0.1220169 0.0990395 0.0897409 2.6522064 0.0571500 0.0040845 0.0355478 2.5461173 3 Na 1.0414404 0.0029790 -0.0029242 -0.0015263 1.0191782 -0.0134869 0.0465343 -0.0242198 1.1367381 4 Na 1.1374410 0.0122052 0.0085925 0.0123071 1.0683011 0.0102275 -0.0497754 0.0049551 1.1727957 5 Na 1.0414404 -0.0029790 -0.0029242 0.0015263 1.0191782 0.0134869 0.0465343 0.0242198 1.1367381 6 Na 1.1374410 -0.0122052 0.0085925 -0.0123071 1.0683011 -0.0102275 -0.0497754 -0.0049551 1.1727957 7 Si 2.7959328 0.0450818 -0.1951721 -0.0695071 2.8348468 0.0967671 -0.0371902 -0.2213795 2.7982392 8 Si 2.5774258 -0.0712119 -0.0119790 0.0504463 3.0169397 -0.1525343 0.1161922 0.1664686 3.0544645 9 Si 2.7959328 -0.0450818 -0.1951721 0.0695071 2.8348468 -0.0967671 -0.0371902 0.2213795 2.7982392 10 Si 2.5774258 0.0712119 -0.0119790 -0.0504463 3.0169397 0.1525343 0.1161922 -0.1664686 3.0544645 11 O -1.9683629 -0.0512795 -0.3175036 -0.0721845 -1.3507705 -0.0658198 -0.2113975 -0.0144683 -1.7678856 12 O -1.1459921 -0.2615987 0.1564254 -0.2953478 -2.3167560 0.7105102 0.0852272 0.5869315 -1.8391709 13 O -1.3801049 0.0169826 -0.1713456 0.0468938 -1.3756446 0.0879900 -0.3216730 0.1383667 -2.1882035 14 O -1.9832548 -0.0881862 -0.1347865 -0.0858805 -1.5663945 0.0161812 -0.1943810 0.0655399 -1.7241608 15 O -2.1047479 -0.2140268 0.1843413 -0.1855509 -1.7730769 0.0589400 0.2110981 0.1155023 -1.5275663 16 O -1.4680427 0.1320720 0.3853123 0.1677817 -2.2088298 -0.7289501 0.3512808 -0.5787401 -1.6613676 17 O -2.1047479 0.2140268 0.1843413 0.1855509 -1.7730769 -0.0589400 0.2110981 -0.1155023 -1.5275663 18 O -1.9683629 0.0512795 -0.3175036 0.0721845 -1.3507705 0.0658198 -0.2113975 0.0144683 -1.7678856 19 O -1.3801049 -0.0169826 -0.1713456 -0.0468938 -1.3756446 -0.0879900 -0.3216730 -0.1383667 -2.1882035 20 O -1.4680427 -0.1320720 0.3853123 -0.1677817 -2.2088298 0.7289501 0.3512808 0.5787401 -1.6613676 21 O -1.1459921 0.2615987 0.1564254 0.2953478 -2.3167560 -0.7105102 0.0852272 -0.5869315 -1.8391709 22 O -1.9832548 0.0881862 -0.1347865 0.0858805 -1.5663945 -0.0161812 -0.1943810 -0.0655399 -1.7241608 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6600 Number of blocks in projector: 6600 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: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1452 / 1452 (1) 439 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1452 / 1452 (1) 438 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1452 / 1452 (1) 438 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 748 / 748 (1) 237 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 748 / 748 (1) 237 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 748 / 748 (1) 237 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6600, 6502), data: False |-- (748, 737), data: False |-- (748, 11), data: (748, 22) @ (22, 11) |-- (248, 237), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (748, 737), data: False |-- (748, 11), data: (748, 22) @ (22, 11) |-- (248, 237), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (748, 737), data: False |-- (748, 11), data: (748, 22) @ (22, 11) |-- (248, 237), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1452, 1430), data: False |-- (1452, 32), data: (1452, 54) @ (54, 32) |-- (452, 438), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True |-- (1452, 1430), data: False |-- (1452, 32), data: (1452, 54) @ (54, 32) |-- (452, 438), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True |-- (1452, 1431), data: False |-- (1452, 30), data: (1452, 51) @ (51, 30) |-- (452, 439), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1360 - Time: 1.898 Solver_block: 200 / 1360 - Time: 1.668 Solver_block: 300 / 1360 - Time: 1.660 Solver_block: 400 / 1360 - Time: 1.659 Solver_block: 500 / 1360 - Time: 1.660 Solver_block: 600 / 1360 - Time: 1.663 Solver_block: 700 / 1360 - Time: 1.664 Solver_block: 800 / 1360 - Time: 1.666 Solver_block: 900 / 1360 - Time: 1.654 Solver_block: 1000 / 1360 - Time: 1.648 Solver_block: 1100 / 1360 - Time: 1.659 Solver_block: 1200 / 1360 - Time: 1.657 Solver_block: 1300 / 1360 - Time: 1.651 Solver_block: 1360 / 1360 - Time: 1.113 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 23.591 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 13530/13530 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6600 Number of blocks in projector: 6600 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: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1452 / 1452 (1) 439 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1452 / 1452 (1) 438 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1452 Use submatrix version of eigh solver. (1) Block: 500 / 1452 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1000 / 1452 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1452 / 1452 (1) 438 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 748 / 748 (1) 237 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 748 / 748 (1) 237 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 748 Use submatrix version of eigh solver. (1) Block: 500 / 748 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 748 / 748 (1) 237 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6600, 6502), data: False |-- (748, 737), data: False |-- (748, 11), data: (748, 22) @ (22, 11) |-- (248, 237), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (748, 737), data: False |-- (748, 11), data: (748, 22) @ (22, 11) |-- (248, 237), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (748, 737), data: False |-- (748, 11), data: (748, 22) @ (22, 11) |-- (248, 237), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1452, 1430), data: False |-- (1452, 32), data: (1452, 54) @ (54, 32) |-- (452, 438), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True |-- (1452, 1430), data: False |-- (1452, 32), data: (1452, 54) @ (54, 32) |-- (452, 438), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 478), data: False |-- (500, 22), data: (500, 44) @ (44, 22) |-- (250, 228), data: True |-- (250, 228), data: True |-- (1452, 1431), data: False |-- (1452, 30), data: (1452, 51) @ (51, 30) |-- (452, 439), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:01:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:01:50]------------------------- 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 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.712453440009412 0.000000000000000 0.000000000000000 b 0.000000000000000 4.774367079999999 0.000000000000000 c -0.247103247721595 0.000000000000000 11.390599761444316 Atomic positions (fractional): 1 Ba 0.74892507182361 0.26012354852615 0.90349966581736 137.327 2 Ba 0.25107492817639 0.76012354852615 0.09650033418264 137.327 3 Na 0.81709251907551 0.24416723855059 0.51456060329689 22.990 4 Na 0.30086957824746 0.24628674420725 0.32119471638149 22.990 5 Na 0.18290748092449 0.74416723855059 0.48543939670311 22.990 6 Na 0.69913042175254 0.74628674420725 0.67880528361851 22.990 7 Si 0.77969040283103 0.19575613519159 0.19382643693305 28.085 8 Si 0.67913489608931 0.70406301249176 0.34674657929621 28.085 9 Si 0.22030959716897 0.69575613519159 0.80617356306695 28.085 10 Si 0.32086510391069 0.20406301249176 0.65325342070379 28.085 11 O 0.59829646704597 0.24913386436991 0.67914366344723 15.999 12 O 0.25124008446560 0.86786551305835 0.67974348821629 15.999 13 O 0.22420722439259 0.26538131780716 0.52208980870324 15.999 14 O 0.54067495839709 0.22295736216707 0.11624125752541 15.999 15 O 0.01380016105955 0.27509234759408 0.12403365092591 15.999 16 O 0.17075282736668 0.37017290603606 0.75706674698838 15.999 17 O 0.98619983894044 0.77509234759408 0.87596634907409 15.999 18 O 0.40170353295403 0.74913386436991 0.32085633655277 15.999 19 O 0.77579277560741 0.76538131780716 0.47791019129676 15.999 20 O 0.82924717263332 0.87017290603606 0.24293325301162 15.999 21 O 0.74875991553440 0.36786551305835 0.32025651178371 15.999 22 O 0.45932504160291 0.72295736216707 0.88375874247459 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.424906880018824 0.000000000000000 0.000000000000000 b 0.000000000000000 14.323101239999998 0.000000000000000 c -0.247103247721595 0.000000000000000 11.390599761444316 Atomic positions (fractional): 1 Ba 0.37446253591180 0.08670784950872 0.90349966581736 137.327 > 1 2 Ba 0.87446253591180 0.08670784950872 0.90349966581736 137.327 > 1 3 Ba 0.37446253591180 0.42004118284205 0.90349966581736 137.327 > 1 4 Ba 0.87446253591180 0.42004118284205 0.90349966581736 137.327 > 1 5 Ba 0.37446253591180 0.75337451617538 0.90349966581736 137.327 > 1 6 Ba 0.87446253591180 0.75337451617538 0.90349966581736 137.327 > 1 7 Ba 0.12553746408820 0.25337451617538 0.09650033418264 137.327 > 7 8 Ba 0.62553746408820 0.25337451617538 0.09650033418264 137.327 > 7 9 Ba 0.12553746408820 0.58670784950872 0.09650033418264 137.327 > 7 10 Ba 0.62553746408820 0.58670784950872 0.09650033418264 137.327 > 7 11 Ba 0.12553746408820 0.92004118284205 0.09650033418264 137.327 > 7 12 Ba 0.62553746408820 0.92004118284205 0.09650033418264 137.327 > 7 13 Na 0.40854625953776 0.08138907951686 0.51456060329689 22.990 > 13 14 Na 0.90854625953776 0.08138907951686 0.51456060329689 22.990 > 13 15 Na 0.40854625953776 0.41472241285020 0.51456060329689 22.990 > 13 16 Na 0.90854625953776 0.41472241285020 0.51456060329689 22.990 > 13 17 Na 0.40854625953776 0.74805574618353 0.51456060329689 22.990 > 13 18 Na 0.90854625953776 0.74805574618353 0.51456060329689 22.990 > 13 19 Na 0.15043478912373 0.08209558140242 0.32119471638149 22.990 > 19 20 Na 0.65043478912373 0.08209558140242 0.32119471638149 22.990 > 19 21 Na 0.15043478912373 0.41542891473575 0.32119471638149 22.990 > 19 22 Na 0.65043478912373 0.41542891473575 0.32119471638149 22.990 > 19 23 Na 0.15043478912373 0.74876224806908 0.32119471638149 22.990 > 19 24 Na 0.65043478912373 0.74876224806908 0.32119471638149 22.990 > 19 25 Na 0.09145374046224 0.24805574618353 0.48543939670311 22.990 > 25 26 Na 0.59145374046224 0.24805574618353 0.48543939670311 22.990 > 25 27 Na 0.09145374046224 0.58138907951686 0.48543939670311 22.990 > 25 28 Na 0.59145374046224 0.58138907951686 0.48543939670311 22.990 > 25 29 Na 0.09145374046224 0.91472241285020 0.48543939670311 22.990 > 25 30 Na 0.59145374046224 0.91472241285020 0.48543939670311 22.990 > 25 31 Na 0.34956521087627 0.24876224806908 0.67880528361851 22.990 > 31 32 Na 0.84956521087627 0.24876224806908 0.67880528361851 22.990 > 31 33 Na 0.34956521087627 0.58209558140242 0.67880528361851 22.990 > 31 34 Na 0.84956521087627 0.58209558140242 0.67880528361851 22.990 > 31 35 Na 0.34956521087627 0.91542891473575 0.67880528361851 22.990 > 31 36 Na 0.84956521087627 0.91542891473575 0.67880528361851 22.990 > 31 37 Si 0.38984520141551 0.06525204506386 0.19382643693305 28.085 > 37 38 Si 0.88984520141551 0.06525204506386 0.19382643693305 28.085 > 37 39 Si 0.38984520141551 0.39858537839720 0.19382643693305 28.085 > 37 40 Si 0.88984520141551 0.39858537839720 0.19382643693305 28.085 > 37 41 Si 0.38984520141551 0.73191871173053 0.19382643693305 28.085 > 37 42 Si 0.88984520141551 0.73191871173053 0.19382643693305 28.085 > 37 43 Si 0.33956744804466 0.23468767083059 0.34674657929621 28.085 > 43 44 Si 0.83956744804466 0.23468767083059 0.34674657929621 28.085 > 43 45 Si 0.33956744804466 0.56802100416392 0.34674657929621 28.085 > 43 46 Si 0.83956744804466 0.56802100416392 0.34674657929621 28.085 > 43 47 Si 0.33956744804466 0.90135433749725 0.34674657929621 28.085 > 43 48 Si 0.83956744804466 0.90135433749725 0.34674657929621 28.085 > 43 49 Si 0.11015479858449 0.23191871173053 0.80617356306695 28.085 > 49 50 Si 0.61015479858449 0.23191871173053 0.80617356306695 28.085 > 49 51 Si 0.11015479858449 0.56525204506386 0.80617356306695 28.085 > 49 52 Si 0.61015479858449 0.56525204506386 0.80617356306695 28.085 > 49 53 Si 0.11015479858449 0.89858537839720 0.80617356306695 28.085 > 49 54 Si 0.61015479858449 0.89858537839720 0.80617356306695 28.085 > 49 55 Si 0.16043255195534 0.06802100416392 0.65325342070379 28.085 > 55 56 Si 0.66043255195534 0.06802100416392 0.65325342070379 28.085 > 55 57 Si 0.16043255195534 0.40135433749725 0.65325342070379 28.085 > 55 58 Si 0.66043255195534 0.40135433749725 0.65325342070379 28.085 > 55 59 Si 0.16043255195534 0.73468767083059 0.65325342070379 28.085 > 55 60 Si 0.66043255195534 0.73468767083059 0.65325342070379 28.085 > 55 61 O 0.29914823352299 0.08304462145664 0.67914366344723 15.999 > 61 62 O 0.79914823352299 0.08304462145664 0.67914366344723 15.999 > 61 63 O 0.29914823352299 0.41637795478997 0.67914366344723 15.999 > 61 64 O 0.79914823352299 0.41637795478997 0.67914366344723 15.999 > 61 65 O 0.29914823352299 0.74971128812330 0.67914366344723 15.999 > 61 66 O 0.79914823352299 0.74971128812330 0.67914366344723 15.999 > 61 67 O 0.12562004223280 0.28928850435278 0.67974348821629 15.999 > 67 68 O 0.62562004223280 0.28928850435278 0.67974348821629 15.999 > 67 69 O 0.12562004223280 0.62262183768612 0.67974348821629 15.999 > 67 70 O 0.62562004223280 0.62262183768612 0.67974348821629 15.999 > 67 71 O 0.12562004223280 0.95595517101945 0.67974348821629 15.999 > 67 72 O 0.62562004223280 0.95595517101945 0.67974348821629 15.999 > 67 73 O 0.11210361219629 0.08846043926905 0.52208980870324 15.999 > 73 74 O 0.61210361219630 0.08846043926905 0.52208980870324 15.999 > 73 75 O 0.11210361219629 0.42179377260239 0.52208980870324 15.999 > 73 76 O 0.61210361219630 0.42179377260239 0.52208980870324 15.999 > 73 77 O 0.11210361219629 0.75512710593572 0.52208980870324 15.999 > 73 78 O 0.61210361219630 0.75512710593572 0.52208980870324 15.999 > 73 79 O 0.27033747919855 0.07431912072236 0.11624125752541 15.999 > 79 80 O 0.77033747919855 0.07431912072236 0.11624125752541 15.999 > 79 81 O 0.27033747919855 0.40765245405569 0.11624125752541 15.999 > 79 82 O 0.77033747919855 0.40765245405569 0.11624125752541 15.999 > 79 83 O 0.27033747919855 0.74098578738902 0.11624125752541 15.999 > 79 84 O 0.77033747919855 0.74098578738902 0.11624125752541 15.999 > 79 85 O 0.00690008052978 0.09169744919803 0.12403365092591 15.999 > 85 86 O 0.50690008052978 0.09169744919803 0.12403365092591 15.999 > 85 87 O 0.00690008052978 0.42503078253136 0.12403365092591 15.999 > 85 88 O 0.50690008052978 0.42503078253136 0.12403365092591 15.999 > 85 89 O 0.00690008052978 0.75836411586469 0.12403365092591 15.999 > 85 90 O 0.50690008052978 0.75836411586469 0.12403365092591 15.999 > 85 91 O 0.08537641368334 0.12339096867869 0.75706674698838 15.999 > 91 92 O 0.58537641368334 0.12339096867869 0.75706674698838 15.999 > 91 93 O 0.08537641368334 0.45672430201202 0.75706674698838 15.999 > 91 94 O 0.58537641368334 0.45672430201202 0.75706674698838 15.999 > 91 95 O 0.08537641368334 0.79005763534535 0.75706674698838 15.999 > 91 96 O 0.58537641368334 0.79005763534535 0.75706674698838 15.999 > 91 97 O 0.49309991947022 0.25836411586469 0.87596634907409 15.999 > 97 98 O 0.99309991947022 0.25836411586469 0.87596634907409 15.999 > 97 99 O 0.49309991947022 0.59169744919803 0.87596634907409 15.999 > 97 100 O 0.99309991947022 0.59169744919803 0.87596634907409 15.999 > 97 101 O 0.49309991947022 0.92503078253136 0.87596634907409 15.999 > 97 102 O 0.99309991947022 0.92503078253136 0.87596634907409 15.999 > 97 103 O 0.20085176647701 0.24971128812330 0.32085633655277 15.999 > 103 104 O 0.70085176647701 0.24971128812330 0.32085633655277 15.999 > 103 105 O 0.20085176647701 0.58304462145664 0.32085633655277 15.999 > 103 106 O 0.70085176647701 0.58304462145664 0.32085633655277 15.999 > 103 107 O 0.20085176647701 0.91637795478997 0.32085633655277 15.999 > 103 108 O 0.70085176647701 0.91637795478997 0.32085633655277 15.999 > 103 109 O 0.38789638780371 0.25512710593572 0.47791019129676 15.999 > 109 110 O 0.88789638780370 0.25512710593572 0.47791019129676 15.999 > 109 111 O 0.38789638780371 0.58846043926905 0.47791019129676 15.999 > 109 112 O 0.88789638780370 0.58846043926905 0.47791019129676 15.999 > 109 113 O 0.38789638780371 0.92179377260239 0.47791019129676 15.999 > 109 114 O 0.88789638780370 0.92179377260239 0.47791019129676 15.999 > 109 115 O 0.41462358631666 0.29005763534535 0.24293325301162 15.999 > 115 116 O 0.91462358631666 0.29005763534535 0.24293325301162 15.999 > 115 117 O 0.41462358631666 0.62339096867869 0.24293325301162 15.999 > 115 118 O 0.91462358631666 0.62339096867869 0.24293325301162 15.999 > 115 119 O 0.41462358631666 0.95672430201202 0.24293325301162 15.999 > 115 120 O 0.91462358631666 0.95672430201202 0.24293325301162 15.999 > 115 121 O 0.37437995776720 0.12262183768612 0.32025651178371 15.999 > 121 122 O 0.87437995776720 0.12262183768612 0.32025651178371 15.999 > 121 123 O 0.37437995776720 0.45595517101945 0.32025651178371 15.999 > 121 124 O 0.87437995776720 0.45595517101945 0.32025651178371 15.999 > 121 125 O 0.37437995776720 0.78928850435278 0.32025651178371 15.999 > 121 126 O 0.87437995776720 0.78928850435278 0.32025651178371 15.999 > 121 127 O 0.22966252080145 0.24098578738902 0.88375874247459 15.999 > 127 128 O 0.72966252080145 0.24098578738902 0.88375874247459 15.999 > 127 129 O 0.22966252080145 0.57431912072236 0.88375874247459 15.999 > 127 130 O 0.72966252080145 0.57431912072236 0.88375874247459 15.999 > 127 131 O 0.22966252080145 0.90765245405569 0.88375874247459 15.999 > 127 132 O 0.72966252080145 0.90765245405569 0.88375874247459 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7390090 0.0000000 0.0153003 0.0000000 2.7796155 0.0000000 0.0153013 0.0000000 2.8068462 -------------------------- Born effective charges -------------------------- 1 Ba 2.4982653 -0.1220169 0.0990395 -0.0897409 2.6522064 -0.0571500 0.0040845 -0.0355478 2.5461173 2 Ba 2.4982653 0.1220169 0.0990395 0.0897409 2.6522064 0.0571500 0.0040845 0.0355478 2.5461173 3 Na 1.0414404 0.0029790 -0.0029242 -0.0015263 1.0191782 -0.0134869 0.0465343 -0.0242198 1.1367381 4 Na 1.1374410 0.0122052 0.0085925 0.0123071 1.0683011 0.0102275 -0.0497754 0.0049551 1.1727957 5 Na 1.0414404 -0.0029790 -0.0029242 0.0015263 1.0191782 0.0134869 0.0465343 0.0242198 1.1367381 6 Na 1.1374410 -0.0122052 0.0085925 -0.0123071 1.0683011 -0.0102275 -0.0497754 -0.0049551 1.1727957 7 Si 2.7959328 0.0450818 -0.1951721 -0.0695071 2.8348468 0.0967671 -0.0371902 -0.2213795 2.7982392 8 Si 2.5774258 -0.0712119 -0.0119790 0.0504463 3.0169397 -0.1525343 0.1161922 0.1664686 3.0544645 9 Si 2.7959328 -0.0450818 -0.1951721 0.0695071 2.8348468 -0.0967671 -0.0371902 0.2213795 2.7982392 10 Si 2.5774258 0.0712119 -0.0119790 -0.0504463 3.0169397 0.1525343 0.1161922 -0.1664686 3.0544645 11 O -1.9683629 -0.0512795 -0.3175036 -0.0721845 -1.3507705 -0.0658198 -0.2113975 -0.0144683 -1.7678856 12 O -1.1459921 -0.2615987 0.1564254 -0.2953478 -2.3167560 0.7105102 0.0852272 0.5869315 -1.8391709 13 O -1.3801049 0.0169826 -0.1713456 0.0468938 -1.3756446 0.0879900 -0.3216730 0.1383667 -2.1882035 14 O -1.9832548 -0.0881862 -0.1347865 -0.0858805 -1.5663945 0.0161812 -0.1943810 0.0655399 -1.7241608 15 O -2.1047479 -0.2140268 0.1843413 -0.1855509 -1.7730769 0.0589400 0.2110981 0.1155023 -1.5275663 16 O -1.4680427 0.1320720 0.3853123 0.1677817 -2.2088298 -0.7289501 0.3512808 -0.5787401 -1.6613676 17 O -2.1047479 0.2140268 0.1843413 0.1855509 -1.7730769 -0.0589400 0.2110981 -0.1155023 -1.5275663 18 O -1.9683629 0.0512795 -0.3175036 0.0721845 -1.3507705 0.0658198 -0.2113975 0.0144683 -1.7678856 19 O -1.3801049 -0.0169826 -0.1713456 -0.0468938 -1.3756446 -0.0879900 -0.3216730 -0.1383667 -2.1882035 20 O -1.4680427 -0.1320720 0.3853123 -0.1677817 -2.2088298 0.7289501 0.3512808 0.5787401 -1.6613676 21 O -1.1459921 0.2615987 0.1564254 0.2953478 -2.3167560 -0.7105102 0.0852272 -0.5869315 -1.8391709 22 O -1.9832548 0.0881862 -0.1347865 0.0858805 -1.5663945 -0.0161812 -0.1943810 -0.0655399 -1.7241608 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 19, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 43, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 67, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 91, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 13:02:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:02:51]------------------------- 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 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.712453440009412 0.000000000000000 0.000000000000000 b 0.000000000000000 4.774367079999999 0.000000000000000 c -0.247103247721595 0.000000000000000 11.390599761444316 Atomic positions (fractional): 1 Ba 0.74892507182361 0.26012354852615 0.90349966581736 137.327 2 Ba 0.25107492817639 0.76012354852615 0.09650033418264 137.327 3 Na 0.81709251907551 0.24416723855059 0.51456060329689 22.990 4 Na 0.30086957824746 0.24628674420725 0.32119471638149 22.990 5 Na 0.18290748092449 0.74416723855059 0.48543939670311 22.990 6 Na 0.69913042175254 0.74628674420725 0.67880528361851 22.990 7 Si 0.77969040283103 0.19575613519159 0.19382643693305 28.085 8 Si 0.67913489608931 0.70406301249176 0.34674657929621 28.085 9 Si 0.22030959716897 0.69575613519159 0.80617356306695 28.085 10 Si 0.32086510391069 0.20406301249176 0.65325342070379 28.085 11 O 0.59829646704597 0.24913386436991 0.67914366344723 15.999 12 O 0.25124008446560 0.86786551305835 0.67974348821629 15.999 13 O 0.22420722439259 0.26538131780716 0.52208980870324 15.999 14 O 0.54067495839709 0.22295736216707 0.11624125752541 15.999 15 O 0.01380016105955 0.27509234759408 0.12403365092591 15.999 16 O 0.17075282736668 0.37017290603606 0.75706674698838 15.999 17 O 0.98619983894044 0.77509234759408 0.87596634907409 15.999 18 O 0.40170353295403 0.74913386436991 0.32085633655277 15.999 19 O 0.77579277560741 0.76538131780716 0.47791019129676 15.999 20 O 0.82924717263332 0.87017290603606 0.24293325301162 15.999 21 O 0.74875991553440 0.36786551305835 0.32025651178371 15.999 22 O 0.45932504160291 0.72295736216707 0.88375874247459 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.424906880018824 0.000000000000000 0.000000000000000 b 0.000000000000000 14.323101239999998 0.000000000000000 c -0.247103247721595 0.000000000000000 11.390599761444316 Atomic positions (fractional): 1 Ba 0.37446253591180 0.08670784950872 0.90349966581736 137.327 > 1 2 Ba 0.87446253591180 0.08670784950872 0.90349966581736 137.327 > 1 3 Ba 0.37446253591180 0.42004118284205 0.90349966581736 137.327 > 1 4 Ba 0.87446253591180 0.42004118284205 0.90349966581736 137.327 > 1 5 Ba 0.37446253591180 0.75337451617538 0.90349966581736 137.327 > 1 6 Ba 0.87446253591180 0.75337451617538 0.90349966581736 137.327 > 1 7 Ba 0.12553746408820 0.25337451617538 0.09650033418264 137.327 > 7 8 Ba 0.62553746408820 0.25337451617538 0.09650033418264 137.327 > 7 9 Ba 0.12553746408820 0.58670784950872 0.09650033418264 137.327 > 7 10 Ba 0.62553746408820 0.58670784950872 0.09650033418264 137.327 > 7 11 Ba 0.12553746408820 0.92004118284205 0.09650033418264 137.327 > 7 12 Ba 0.62553746408820 0.92004118284205 0.09650033418264 137.327 > 7 13 Na 0.40854625953776 0.08138907951686 0.51456060329689 22.990 > 13 14 Na 0.90854625953776 0.08138907951686 0.51456060329689 22.990 > 13 15 Na 0.40854625953776 0.41472241285020 0.51456060329689 22.990 > 13 16 Na 0.90854625953776 0.41472241285020 0.51456060329689 22.990 > 13 17 Na 0.40854625953776 0.74805574618353 0.51456060329689 22.990 > 13 18 Na 0.90854625953776 0.74805574618353 0.51456060329689 22.990 > 13 19 Na 0.15043478912373 0.08209558140242 0.32119471638149 22.990 > 19 20 Na 0.65043478912373 0.08209558140242 0.32119471638149 22.990 > 19 21 Na 0.15043478912373 0.41542891473575 0.32119471638149 22.990 > 19 22 Na 0.65043478912373 0.41542891473575 0.32119471638149 22.990 > 19 23 Na 0.15043478912373 0.74876224806908 0.32119471638149 22.990 > 19 24 Na 0.65043478912373 0.74876224806908 0.32119471638149 22.990 > 19 25 Na 0.09145374046224 0.24805574618353 0.48543939670311 22.990 > 25 26 Na 0.59145374046224 0.24805574618353 0.48543939670311 22.990 > 25 27 Na 0.09145374046224 0.58138907951686 0.48543939670311 22.990 > 25 28 Na 0.59145374046224 0.58138907951686 0.48543939670311 22.990 > 25 29 Na 0.09145374046224 0.91472241285020 0.48543939670311 22.990 > 25 30 Na 0.59145374046224 0.91472241285020 0.48543939670311 22.990 > 25 31 Na 0.34956521087627 0.24876224806908 0.67880528361851 22.990 > 31 32 Na 0.84956521087627 0.24876224806908 0.67880528361851 22.990 > 31 33 Na 0.34956521087627 0.58209558140242 0.67880528361851 22.990 > 31 34 Na 0.84956521087627 0.58209558140242 0.67880528361851 22.990 > 31 35 Na 0.34956521087627 0.91542891473575 0.67880528361851 22.990 > 31 36 Na 0.84956521087627 0.91542891473575 0.67880528361851 22.990 > 31 37 Si 0.38984520141551 0.06525204506386 0.19382643693305 28.085 > 37 38 Si 0.88984520141551 0.06525204506386 0.19382643693305 28.085 > 37 39 Si 0.38984520141551 0.39858537839720 0.19382643693305 28.085 > 37 40 Si 0.88984520141551 0.39858537839720 0.19382643693305 28.085 > 37 41 Si 0.38984520141551 0.73191871173053 0.19382643693305 28.085 > 37 42 Si 0.88984520141551 0.73191871173053 0.19382643693305 28.085 > 37 43 Si 0.33956744804466 0.23468767083059 0.34674657929621 28.085 > 43 44 Si 0.83956744804466 0.23468767083059 0.34674657929621 28.085 > 43 45 Si 0.33956744804466 0.56802100416392 0.34674657929621 28.085 > 43 46 Si 0.83956744804466 0.56802100416392 0.34674657929621 28.085 > 43 47 Si 0.33956744804466 0.90135433749725 0.34674657929621 28.085 > 43 48 Si 0.83956744804466 0.90135433749725 0.34674657929621 28.085 > 43 49 Si 0.11015479858449 0.23191871173053 0.80617356306695 28.085 > 49 50 Si 0.61015479858449 0.23191871173053 0.80617356306695 28.085 > 49 51 Si 0.11015479858449 0.56525204506386 0.80617356306695 28.085 > 49 52 Si 0.61015479858449 0.56525204506386 0.80617356306695 28.085 > 49 53 Si 0.11015479858449 0.89858537839720 0.80617356306695 28.085 > 49 54 Si 0.61015479858449 0.89858537839720 0.80617356306695 28.085 > 49 55 Si 0.16043255195534 0.06802100416392 0.65325342070379 28.085 > 55 56 Si 0.66043255195534 0.06802100416392 0.65325342070379 28.085 > 55 57 Si 0.16043255195534 0.40135433749725 0.65325342070379 28.085 > 55 58 Si 0.66043255195534 0.40135433749725 0.65325342070379 28.085 > 55 59 Si 0.16043255195534 0.73468767083059 0.65325342070379 28.085 > 55 60 Si 0.66043255195534 0.73468767083059 0.65325342070379 28.085 > 55 61 O 0.29914823352299 0.08304462145664 0.67914366344723 15.999 > 61 62 O 0.79914823352299 0.08304462145664 0.67914366344723 15.999 > 61 63 O 0.29914823352299 0.41637795478997 0.67914366344723 15.999 > 61 64 O 0.79914823352299 0.41637795478997 0.67914366344723 15.999 > 61 65 O 0.29914823352299 0.74971128812330 0.67914366344723 15.999 > 61 66 O 0.79914823352299 0.74971128812330 0.67914366344723 15.999 > 61 67 O 0.12562004223280 0.28928850435278 0.67974348821629 15.999 > 67 68 O 0.62562004223280 0.28928850435278 0.67974348821629 15.999 > 67 69 O 0.12562004223280 0.62262183768612 0.67974348821629 15.999 > 67 70 O 0.62562004223280 0.62262183768612 0.67974348821629 15.999 > 67 71 O 0.12562004223280 0.95595517101945 0.67974348821629 15.999 > 67 72 O 0.62562004223280 0.95595517101945 0.67974348821629 15.999 > 67 73 O 0.11210361219629 0.08846043926905 0.52208980870324 15.999 > 73 74 O 0.61210361219630 0.08846043926905 0.52208980870324 15.999 > 73 75 O 0.11210361219629 0.42179377260239 0.52208980870324 15.999 > 73 76 O 0.61210361219630 0.42179377260239 0.52208980870324 15.999 > 73 77 O 0.11210361219629 0.75512710593572 0.52208980870324 15.999 > 73 78 O 0.61210361219630 0.75512710593572 0.52208980870324 15.999 > 73 79 O 0.27033747919855 0.07431912072236 0.11624125752541 15.999 > 79 80 O 0.77033747919855 0.07431912072236 0.11624125752541 15.999 > 79 81 O 0.27033747919855 0.40765245405569 0.11624125752541 15.999 > 79 82 O 0.77033747919855 0.40765245405569 0.11624125752541 15.999 > 79 83 O 0.27033747919855 0.74098578738902 0.11624125752541 15.999 > 79 84 O 0.77033747919855 0.74098578738902 0.11624125752541 15.999 > 79 85 O 0.00690008052978 0.09169744919803 0.12403365092591 15.999 > 85 86 O 0.50690008052978 0.09169744919803 0.12403365092591 15.999 > 85 87 O 0.00690008052978 0.42503078253136 0.12403365092591 15.999 > 85 88 O 0.50690008052978 0.42503078253136 0.12403365092591 15.999 > 85 89 O 0.00690008052978 0.75836411586469 0.12403365092591 15.999 > 85 90 O 0.50690008052978 0.75836411586469 0.12403365092591 15.999 > 85 91 O 0.08537641368334 0.12339096867869 0.75706674698838 15.999 > 91 92 O 0.58537641368334 0.12339096867869 0.75706674698838 15.999 > 91 93 O 0.08537641368334 0.45672430201202 0.75706674698838 15.999 > 91 94 O 0.58537641368334 0.45672430201202 0.75706674698838 15.999 > 91 95 O 0.08537641368334 0.79005763534535 0.75706674698838 15.999 > 91 96 O 0.58537641368334 0.79005763534535 0.75706674698838 15.999 > 91 97 O 0.49309991947022 0.25836411586469 0.87596634907409 15.999 > 97 98 O 0.99309991947022 0.25836411586469 0.87596634907409 15.999 > 97 99 O 0.49309991947022 0.59169744919803 0.87596634907409 15.999 > 97 100 O 0.99309991947022 0.59169744919803 0.87596634907409 15.999 > 97 101 O 0.49309991947022 0.92503078253136 0.87596634907409 15.999 > 97 102 O 0.99309991947022 0.92503078253136 0.87596634907409 15.999 > 97 103 O 0.20085176647701 0.24971128812330 0.32085633655277 15.999 > 103 104 O 0.70085176647701 0.24971128812330 0.32085633655277 15.999 > 103 105 O 0.20085176647701 0.58304462145664 0.32085633655277 15.999 > 103 106 O 0.70085176647701 0.58304462145664 0.32085633655277 15.999 > 103 107 O 0.20085176647701 0.91637795478997 0.32085633655277 15.999 > 103 108 O 0.70085176647701 0.91637795478997 0.32085633655277 15.999 > 103 109 O 0.38789638780371 0.25512710593572 0.47791019129676 15.999 > 109 110 O 0.88789638780370 0.25512710593572 0.47791019129676 15.999 > 109 111 O 0.38789638780371 0.58846043926905 0.47791019129676 15.999 > 109 112 O 0.88789638780370 0.58846043926905 0.47791019129676 15.999 > 109 113 O 0.38789638780371 0.92179377260239 0.47791019129676 15.999 > 109 114 O 0.88789638780370 0.92179377260239 0.47791019129676 15.999 > 109 115 O 0.41462358631666 0.29005763534535 0.24293325301162 15.999 > 115 116 O 0.91462358631666 0.29005763534535 0.24293325301162 15.999 > 115 117 O 0.41462358631666 0.62339096867869 0.24293325301162 15.999 > 115 118 O 0.91462358631666 0.62339096867869 0.24293325301162 15.999 > 115 119 O 0.41462358631666 0.95672430201202 0.24293325301162 15.999 > 115 120 O 0.91462358631666 0.95672430201202 0.24293325301162 15.999 > 115 121 O 0.37437995776720 0.12262183768612 0.32025651178371 15.999 > 121 122 O 0.87437995776720 0.12262183768612 0.32025651178371 15.999 > 121 123 O 0.37437995776720 0.45595517101945 0.32025651178371 15.999 > 121 124 O 0.87437995776720 0.45595517101945 0.32025651178371 15.999 > 121 125 O 0.37437995776720 0.78928850435278 0.32025651178371 15.999 > 121 126 O 0.87437995776720 0.78928850435278 0.32025651178371 15.999 > 121 127 O 0.22966252080145 0.24098578738902 0.88375874247459 15.999 > 127 128 O 0.72966252080145 0.24098578738902 0.88375874247459 15.999 > 127 129 O 0.22966252080145 0.57431912072236 0.88375874247459 15.999 > 127 130 O 0.72966252080145 0.57431912072236 0.88375874247459 15.999 > 127 131 O 0.22966252080145 0.90765245405569 0.88375874247459 15.999 > 127 132 O 0.72966252080145 0.90765245405569 0.88375874247459 15.999 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7390090 0.0000000 0.0153003 0.0000000 2.7796155 0.0000000 0.0153013 0.0000000 2.8068462 -------------------------- Born effective charges -------------------------- 1 Ba 2.4982653 -0.1220169 0.0990395 -0.0897409 2.6522064 -0.0571500 0.0040845 -0.0355478 2.5461173 2 Ba 2.4982653 0.1220169 0.0990395 0.0897409 2.6522064 0.0571500 0.0040845 0.0355478 2.5461173 3 Na 1.0414404 0.0029790 -0.0029242 -0.0015263 1.0191782 -0.0134869 0.0465343 -0.0242198 1.1367381 4 Na 1.1374410 0.0122052 0.0085925 0.0123071 1.0683011 0.0102275 -0.0497754 0.0049551 1.1727957 5 Na 1.0414404 -0.0029790 -0.0029242 0.0015263 1.0191782 0.0134869 0.0465343 0.0242198 1.1367381 6 Na 1.1374410 -0.0122052 0.0085925 -0.0123071 1.0683011 -0.0102275 -0.0497754 -0.0049551 1.1727957 7 Si 2.7959328 0.0450818 -0.1951721 -0.0695071 2.8348468 0.0967671 -0.0371902 -0.2213795 2.7982392 8 Si 2.5774258 -0.0712119 -0.0119790 0.0504463 3.0169397 -0.1525343 0.1161922 0.1664686 3.0544645 9 Si 2.7959328 -0.0450818 -0.1951721 0.0695071 2.8348468 -0.0967671 -0.0371902 0.2213795 2.7982392 10 Si 2.5774258 0.0712119 -0.0119790 -0.0504463 3.0169397 0.1525343 0.1161922 -0.1664686 3.0544645 11 O -1.9683629 -0.0512795 -0.3175036 -0.0721845 -1.3507705 -0.0658198 -0.2113975 -0.0144683 -1.7678856 12 O -1.1459921 -0.2615987 0.1564254 -0.2953478 -2.3167560 0.7105102 0.0852272 0.5869315 -1.8391709 13 O -1.3801049 0.0169826 -0.1713456 0.0468938 -1.3756446 0.0879900 -0.3216730 0.1383667 -2.1882035 14 O -1.9832548 -0.0881862 -0.1347865 -0.0858805 -1.5663945 0.0161812 -0.1943810 0.0655399 -1.7241608 15 O -2.1047479 -0.2140268 0.1843413 -0.1855509 -1.7730769 0.0589400 0.2110981 0.1155023 -1.5275663 16 O -1.4680427 0.1320720 0.3853123 0.1677817 -2.2088298 -0.7289501 0.3512808 -0.5787401 -1.6613676 17 O -2.1047479 0.2140268 0.1843413 0.1855509 -1.7730769 -0.0589400 0.2110981 -0.1155023 -1.5275663 18 O -1.9683629 0.0512795 -0.3175036 0.0721845 -1.3507705 0.0658198 -0.2113975 0.0144683 -1.7678856 19 O -1.3801049 -0.0169826 -0.1713456 -0.0468938 -1.3756446 -0.0879900 -0.3216730 -0.1383667 -2.1882035 20 O -1.4680427 -0.1320720 0.3853123 -0.1677817 -2.2088298 0.7289501 0.3512808 0.5787401 -1.6613676 21 O -1.1459921 0.2615987 0.1564254 0.2953478 -2.3167560 -0.7105102 0.0852272 -0.5869315 -1.8391709 22 O -1.9832548 0.0881862 -0.1347865 0.0858805 -1.5663945 -0.0161812 -0.1943810 -0.0655399 -1.7241608 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 10 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: 0.61, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 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 1.568 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.152 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.928 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.551 ( 0.000 0.000 0.000) 0.000 4.577 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.854 ( 0.000 0.000 0.000) 0.000 5.973 ( 0.000 0.000 0.000) 0.000 6.658 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.637 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 10.302 ( 0.000 0.000 0.000) 0.000 10.312 ( 0.000 0.000 0.000) 0.000 11.063 ( 0.000 0.000 0.000) 0.000 11.232 ( 0.000 0.000 0.000) 0.000 11.387 ( 0.000 0.000 0.000) 0.000 11.696 ( 0.000 0.000 0.000) 0.000 12.662 ( 0.000 0.000 0.000) 0.000 13.265 ( 0.000 0.000 0.000) 0.000 13.459 ( 0.000 0.000 0.000) 0.000 13.506 ( 0.000 0.000 0.000) 0.000 14.771 ( 0.000 0.000 0.000) 0.000 14.933 ( 0.000 0.000 0.000) 0.000 15.389 ( 0.000 0.000 0.000) 0.000 15.672 ( 0.000 0.000 0.000) 0.000 18.174 ( 0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 21.486 ( 0.000 0.000 0.000) 0.000 21.648 ( 0.000 0.000 0.000) 0.000 25.818 ( 0.000 0.000 0.000) 0.000 26.008 ( 0.000 0.000 0.000) 0.000 26.237 ( 0.000 0.000 0.000) 0.000 26.248 ( 0.000 0.000 0.000) 0.000 27.968 ( 0.000 0.000 0.000) 0.000 28.056 ( 0.000 0.000 0.000) 0.000 28.805 ( 0.000 0.000 0.000) 0.000 28.889 ( 0.000 0.000 0.000) 0.000 28.995 ( 0.000 0.000 0.000) 0.000 29.327 ( 0.000 0.000 0.000) 0.000 30.338 ( 0.000 0.000 0.000) 0.000 30.871 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 22.869 0.000 -0.028) 22.869 0.569 ( 28.722 0.000 -4.872) 29.133 0.888 ( 41.692 0.000 9.585) 42.780 1.633 ( 4.776 0.000 -0.531) 4.805 2.176 ( 3.550 0.000 1.781) 3.972 2.228 ( 8.484 0.000 -5.965) 10.371 2.515 ( 5.085 0.000 -2.463) 5.650 2.897 ( -3.135 0.000 2.275) 3.874 3.126 ( 2.957 0.000 -4.672) 5.529 3.205 ( -1.336 0.000 2.678) 2.993 3.394 ( -1.574 0.000 6.262) 6.457 3.811 ( -1.364 0.000 0.679) 1.523 3.947 ( -1.860 0.000 4.762) 5.112 4.262 ( -3.511 0.000 -2.639) 4.392 4.357 ( -2.190 0.000 2.094) 3.030 4.398 ( 2.670 0.000 15.913) 16.136 4.538 ( -0.331 0.000 5.356) 5.366 4.795 ( 3.689 0.000 9.673) 10.353 5.060 ( 1.431 0.000 -5.391) 5.578 5.100 ( 3.295 0.000 1.720) 3.717 5.377 ( 6.472 0.000 7.741) 10.090 5.385 ( 2.625 0.000 -4.653) 5.343 5.746 ( -8.389 0.000 -17.826) 19.701 5.913 ( 4.562 0.000 -0.940) 4.658 6.156 ( 11.177 0.000 -18.783) 21.856 6.618 ( -2.860 0.000 -2.100) 3.548 6.680 ( -0.476 0.000 -0.323) 0.575 6.915 ( -1.380 0.000 1.343) 1.926 7.331 ( -2.664 0.000 2.165) 3.433 7.550 ( -0.913 0.000 2.279) 2.455 7.884 ( -1.713 0.000 -12.763) 12.877 8.100 ( -6.245 0.000 31.098) 31.718 8.256 ( -0.083 0.000 -0.742) 0.746 8.486 ( -1.492 0.000 12.651) 12.739 8.691 ( 1.734 0.000 5.667) 5.926 8.824 ( 2.355 0.000 0.522) 2.412 10.299 ( -0.996 0.000 -2.154) 2.374 10.379 ( 1.690 0.000 -8.741) 8.903 11.057 ( -0.523 0.000 1.434) 1.526 11.232 ( -0.391 0.000 -1.110) 1.177 11.389 ( 0.406 0.000 0.589) 0.716 11.703 ( -2.148 0.000 0.292) 2.167 12.677 ( -0.670 0.000 -14.579) 14.595 13.280 ( 1.166 0.000 -1.984) 2.301 13.498 ( -0.627 0.000 -0.301) 0.695 13.573 ( 0.912 0.000 1.491) 1.748 14.780 ( 0.798 0.000 -0.600) 0.999 14.931 ( -2.520 0.000 3.613) 4.405 15.419 ( 0.068 0.000 -9.711) 9.711 15.663 ( -0.887 0.000 0.495) 1.016 18.200 ( 0.402 0.000 0.010) 0.402 18.320 ( -0.957 0.000 8.253) 8.308 21.542 ( -0.379 0.000 -11.429) 11.435 21.647 ( -0.192 0.000 0.932) 0.952 25.844 ( -2.317 0.000 -8.235) 8.555 26.001 ( -1.053 0.000 -0.026) 1.054 26.252 ( 0.222 0.000 -0.130) 0.257 26.278 ( -0.139 0.000 -1.749) 1.754 28.005 ( 3.756 0.000 -0.726) 3.826 28.242 ( 1.263 0.000 -0.843) 1.519 28.856 ( -0.960 0.000 1.472) 1.757 29.097 ( 7.602 0.000 -2.489) 7.999 29.338 ( 2.216 0.000 3.502) 4.144 29.769 ( 0.120 0.000 -41.205) 41.206 30.816 ( -4.961 0.000 -7.686) 9.148 31.434 ( -2.879 0.000 56.483) 56.556 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 21.496 0.000 -7.742) 22.848 1.104 ( 26.198 0.000 -3.654) 26.452 1.592 ( 30.035 0.000 9.992) 31.654 1.703 ( 1.414 0.000 -0.448) 1.483 2.196 ( -0.457 0.000 7.159) 7.174 2.369 ( 3.893 0.000 -9.962) 10.696 2.694 ( 9.116 0.000 -3.158) 9.647 2.802 ( -3.837 0.000 -2.844) 4.776 3.124 ( -2.735 0.000 -2.059) 3.423 3.194 ( 0.388 0.000 5.314) 5.328 3.414 ( 2.788 0.000 10.927) 11.278 3.742 ( -6.491 0.000 1.318) 6.623 3.916 ( -0.272 0.000 -0.149) 0.310 4.191 ( -5.338 0.000 -1.996) 5.699 4.264 ( -4.401 0.000 -1.142) 4.547 4.457 ( 1.459 0.000 18.550) 18.608 4.619 ( 7.204 0.000 -3.433) 7.980 4.934 ( 11.062 0.000 -7.549) 13.393 5.046 ( -1.245 0.000 0.947) 1.565 5.198 ( 5.100 0.000 -2.683) 5.763 5.388 ( -4.056 0.000 -4.629) 6.154 5.551 ( 10.867 0.000 3.731) 11.490 5.663 ( 2.294 0.000 -5.256) 5.735 6.006 ( 4.236 0.000 -0.029) 4.236 6.359 ( 9.367 0.000 -6.149) 11.204 6.560 ( -2.299 0.000 -1.357) 2.670 6.656 ( -1.404 0.000 -3.181) 3.477 6.921 ( 2.102 0.000 3.555) 4.130 7.272 ( -3.149 0.000 2.681) 4.136 7.526 ( -1.647 0.000 4.023) 4.347 7.801 ( -6.585 0.000 -4.129) 7.773 7.953 ( -8.997 0.000 11.533) 14.627 8.263 ( 0.948 0.000 -1.498) 1.773 8.507 ( 2.753 0.000 2.984) 4.060 8.674 ( -2.559 0.000 1.263) 2.854 8.898 ( 3.958 0.000 0.420) 3.980 10.278 ( -0.955 0.000 -1.899) 2.125 10.413 ( 1.949 0.000 -2.840) 3.445 11.051 ( -0.094 0.000 2.711) 2.713 11.210 ( -1.638 0.000 -1.145) 1.998 11.407 ( 1.071 0.000 1.329) 1.707 11.639 ( -4.209 0.000 -0.141) 4.211 12.669 ( 0.569 0.000 -7.380) 7.402 13.293 ( 0.024 0.000 -1.597) 1.597 13.488 ( -0.303 0.000 -0.565) 0.641 13.598 ( 1.465 0.000 0.989) 1.768 14.793 ( 0.344 0.000 -1.343) 1.386 14.877 ( -2.724 0.000 4.003) 4.842 15.418 ( 0.305 0.000 -5.129) 5.138 15.639 ( -1.562 0.000 0.913) 1.810 18.208 ( 0.412 0.000 -0.483) 0.635 18.304 ( -0.840 0.000 4.535) 4.612 21.530 ( -0.477 0.000 -4.829) 4.853 21.639 ( -0.759 0.000 1.334) 1.535 25.793 ( -2.404 0.000 -2.231) 3.280 25.961 ( -2.992 0.000 0.195) 2.998 26.251 ( -0.268 0.000 -0.338) 0.431 26.273 ( -0.443 0.000 0.297) 0.533 28.105 ( 6.161 0.000 -0.563) 6.187 28.282 ( 2.744 0.000 -0.742) 2.843 28.843 ( -0.492 0.000 -0.059) 0.495 29.161 ( -1.183 0.000 -3.694) 3.879 29.468 ( 8.490 0.000 1.779) 8.675 29.769 ( 2.512 0.000 -7.449) 7.861 30.706 ( -4.927 0.000 -14.407) 15.226 31.389 ( -3.393 0.000 26.612) 26.827 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( 16.322 0.000 -14.793) 22.028 1.565 ( 18.786 0.000 -2.476) 18.948 1.674 ( -1.646 0.000 -1.532) 2.249 2.054 ( 14.671 0.000 7.936) 16.679 2.212 ( 4.294 0.000 3.747) 5.699 2.371 ( -2.372 0.000 2.361) 3.347 2.611 ( -7.474 0.000 -0.719) 7.508 2.946 ( 8.058 0.000 -10.416) 13.169 3.068 ( -2.817 0.000 8.958) 9.391 3.198 ( 0.637 0.000 3.417) 3.476 3.492 ( 3.052 0.000 8.718) 9.237 3.594 ( -6.618 0.000 0.830) 6.670 3.908 ( -1.506 0.000 -5.648) 5.845 4.051 ( -7.114 0.000 -0.940) 7.176 4.221 ( -1.090 0.000 -3.735) 3.891 4.454 ( -2.025 0.000 13.304) 13.458 4.768 ( 7.704 0.000 -1.962) 7.950 5.011 ( -0.986 0.000 0.430) 1.076 5.168 ( 7.903 0.000 -5.175) 9.446 5.271 ( -5.870 0.000 -2.672) 6.449 5.315 ( 8.484 0.000 -3.979) 9.371 5.746 ( 6.813 0.000 -2.545) 7.273 5.807 ( 12.395 0.000 0.878) 12.426 6.067 ( 2.248 0.000 -0.272) 2.264 6.440 ( -0.728 0.000 -0.450) 0.856 6.597 ( 4.860 0.000 -0.511) 4.887 6.631 ( -0.355 0.000 -4.840) 4.853 6.988 ( 3.995 0.000 3.982) 5.641 7.222 ( -1.964 0.000 1.921) 2.747 7.491 ( -2.225 0.000 5.231) 5.685 7.647 ( -7.828 0.000 -0.861) 7.875 7.787 ( -7.904 0.000 2.629) 8.330 8.292 ( 2.112 0.000 -1.806) 2.779 8.537 ( -1.857 0.000 1.121) 2.169 8.656 ( 2.619 0.000 1.009) 2.807 8.950 ( 1.135 0.000 -0.562) 1.267 10.263 ( -0.544 0.000 -1.487) 1.583 10.448 ( 1.642 0.000 -1.042) 1.944 11.054 ( 0.229 0.000 3.645) 3.653 11.180 ( -0.967 0.000 -1.453) 1.745 11.411 ( -1.241 0.000 1.320) 1.811 11.565 ( -2.527 0.000 -1.216) 2.805 12.688 ( 1.304 0.000 -4.043) 4.249 13.285 ( -0.602 0.000 -0.475) 0.766 13.483 ( -0.218 0.000 -0.732) 0.764 13.625 ( 1.212 0.000 0.489) 1.307 14.791 ( -0.265 0.000 -3.120) 3.131 14.838 ( -1.586 0.000 5.338) 5.569 15.428 ( 0.817 0.000 -3.383) 3.480 15.606 ( -1.768 0.000 1.074) 2.069 18.214 ( 0.184 0.000 -0.837) 0.857 18.294 ( -0.401 0.000 2.938) 2.965 21.522 ( -0.192 0.000 -2.398) 2.406 21.621 ( -0.998 0.000 1.140) 1.515 25.755 ( -1.423 0.000 -0.529) 1.518 25.896 ( -3.291 0.000 0.201) 3.298 26.246 ( -0.204 0.000 -0.373) 0.425 26.261 ( -0.694 0.000 0.496) 0.853 28.224 ( 5.505 0.000 -0.857) 5.572 28.339 ( 2.952 0.000 0.162) 2.957 28.834 ( -0.517 0.000 -0.304) 0.600 29.103 ( -3.702 0.000 -1.829) 4.129 29.535 ( -0.723 0.000 -2.451) 2.555 29.908 ( 9.552 0.000 6.466) 11.534 30.639 ( -1.040 0.000 -16.408) 16.441 31.329 ( -3.469 0.000 15.179) 15.571 ======================= Grid point 4 (5/114) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.462 0.000 -11.732) 11.823 1.601 ( 1.196 0.000 2.419) 2.698 1.922 ( 11.325 0.000 -0.751) 11.350 2.175 ( 2.791 0.000 -0.464) 2.830 2.282 ( -0.790 0.000 3.785) 3.867 2.367 ( -1.179 0.000 3.697) 3.881 2.503 ( -1.272 0.000 -0.418) 1.339 3.021 ( 0.921 0.000 -1.468) 1.733 3.053 ( 0.819 0.000 2.648) 2.771 3.250 ( 4.814 0.000 6.411) 8.017 3.392 ( -8.328 0.000 -5.167) 9.801 3.608 ( 2.143 0.000 4.699) 5.165 3.874 ( 0.060 0.000 -3.473) 3.473 3.938 ( -4.543 0.000 -2.289) 5.087 4.204 ( -0.540 0.000 -0.845) 1.003 4.417 ( -1.430 0.000 4.396) 4.623 4.910 ( 6.319 0.000 2.415) 6.764 4.990 ( -1.292 0.000 -0.381) 1.347 5.158 ( -4.450 0.000 -4.790) 6.538 5.241 ( 1.139 0.000 -0.279) 1.173 5.478 ( 5.263 0.000 -0.897) 5.339 5.833 ( 2.300 0.000 -1.698) 2.859 6.041 ( 8.306 0.000 1.644) 8.468 6.102 ( 1.711 0.000 -1.087) 2.027 6.420 ( -0.482 0.000 -0.239) 0.538 6.563 ( -3.490 0.000 -1.129) 3.668 6.712 ( 3.391 0.000 -0.898) 3.508 7.047 ( 1.346 0.000 1.656) 2.134 7.198 ( -0.516 0.000 0.951) 1.082 7.442 ( -2.216 0.000 2.787) 3.560 7.553 ( -1.505 0.000 -0.197) 1.518 7.665 ( -3.979 0.000 -0.161) 3.983 8.340 ( 2.364 0.000 -1.278) 2.687 8.472 ( -3.205 0.000 0.837) 3.312 8.731 ( 3.089 0.000 0.626) 3.152 8.947 ( -0.812 0.000 -0.521) 0.965 10.256 ( -0.123 0.000 -0.610) 0.622 10.471 ( 0.648 0.000 -0.258) 0.698 11.057 ( -0.055 0.000 2.007) 2.008 11.176 ( 0.345 0.000 -0.996) 1.054 11.370 ( -1.923 0.000 0.330) 1.951 11.544 ( -0.149 0.000 -0.458) 0.481 12.707 ( 0.613 0.000 -1.324) 1.459 13.275 ( -0.273 0.000 -0.019) 0.274 13.479 ( -0.142 0.000 -0.355) 0.383 13.642 ( 0.437 0.000 0.169) 0.469 14.792 ( 0.573 0.000 -4.170) 4.210 14.813 ( -1.238 0.000 5.050) 5.199 15.443 ( 0.594 0.000 -1.385) 1.507 15.578 ( -0.933 0.000 0.602) 1.111 18.216 ( 0.047 0.000 -0.405) 0.407 18.290 ( -0.111 0.000 1.062) 1.067 21.519 ( -0.005 0.000 -0.786) 0.786 21.606 ( -0.482 0.000 0.469) 0.672 25.738 ( -0.379 0.000 -0.073) 0.386 25.847 ( -1.456 0.000 0.077) 1.458 26.244 ( 0.060 0.000 -0.404) 0.409 26.250 ( -0.432 0.000 0.446) 0.621 28.300 ( 2.084 0.000 -0.818) 2.239 28.387 ( 1.557 0.000 0.650) 1.687 28.823 ( -0.468 0.000 -0.187) 0.503 29.043 ( -1.872 0.000 -0.548) 1.951 29.509 ( -0.962 0.000 -0.634) 1.152 30.049 ( 3.772 0.000 3.764) 5.329 30.641 ( 0.936 0.000 -7.927) 7.982 31.279 ( -1.753 0.000 5.582) 5.851 ======================= Grid point 9 (6/114) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( 0.000 26.352 0.000) 26.352 0.758 ( 0.000 36.334 0.000) 36.334 1.086 ( 0.000 44.901 0.000) 44.901 1.601 ( 0.000 4.674 0.000) 4.674 2.143 ( 0.000 6.633 0.000) 6.633 2.232 ( 0.000 6.113 0.000) 6.113 2.773 ( 0.000 -1.129 0.000) 1.129 3.001 ( 0.000 0.810 0.000) 0.810 3.147 ( 0.000 12.649 0.000) 12.649 3.296 ( 0.000 2.152 0.000) 2.152 3.371 ( 0.000 -2.492 0.000) 2.492 3.853 ( 0.000 2.984 0.000) 2.984 3.937 ( 0.000 -1.880 0.000) 1.880 3.994 ( 0.000 -0.774 0.000) 0.774 4.290 ( 0.000 -2.991 0.000) 2.991 4.291 ( 0.000 -3.790 0.000) 3.790 4.610 ( 0.000 2.459 0.000) 2.459 4.613 ( 0.000 2.584 0.000) 2.584 5.042 ( 0.000 -3.245 0.000) 3.245 5.140 ( 0.000 -0.230 0.000) 0.230 5.226 ( 0.000 -4.806 0.000) 4.806 5.491 ( 0.000 7.536 0.000) 7.536 5.545 ( 0.000 6.030 0.000) 6.030 5.842 ( 0.000 0.456 0.000) 0.456 6.414 ( 0.000 -4.113 0.000) 4.113 6.667 ( 0.000 -0.918 0.000) 0.918 6.872 ( 0.000 -2.087 0.000) 2.087 6.991 ( 0.000 -0.399 0.000) 0.399 6.998 ( 0.000 3.391 0.000) 3.391 7.371 ( 0.000 1.347 0.000) 1.347 7.614 ( 0.000 -1.007 0.000) 1.007 7.897 ( 0.000 -3.021 0.000) 3.021 8.400 ( 0.000 7.526 0.000) 7.526 8.470 ( 0.000 2.445 0.000) 2.445 8.736 ( 0.000 5.941 0.000) 5.941 8.823 ( 0.000 1.213 0.000) 1.213 10.192 ( 0.000 -9.265 0.000) 9.265 10.196 ( 0.000 -9.482 0.000) 9.482 11.313 ( 0.000 6.926 0.000) 6.926 11.410 ( 0.000 3.397 0.000) 3.397 11.525 ( 0.000 7.621 0.000) 7.621 11.718 ( 0.000 1.865 0.000) 1.865 12.765 ( 0.000 9.327 0.000) 9.327 13.308 ( 0.000 1.488 0.000) 1.488 13.377 ( 0.000 -7.327 0.000) 7.327 14.319 ( 0.000 -7.904 0.000) 7.904 14.954 ( 0.000 1.224 0.000) 1.224 15.244 ( 0.000 -13.316 0.000) 13.316 15.338 ( 0.000 -11.608 0.000) 11.608 15.552 ( 0.000 -9.563 0.000) 9.563 18.325 ( 0.000 14.061 0.000) 14.061 18.655 ( 0.000 11.995 0.000) 11.995 21.456 ( 0.000 -2.959 0.000) 2.959 21.611 ( 0.000 -4.021 0.000) 4.021 25.889 ( 0.000 6.741 0.000) 6.741 26.118 ( 0.000 7.330 0.000) 7.330 26.382 ( 0.000 12.968 0.000) 12.968 27.756 ( 0.000 -2.236 0.000) 2.236 28.047 ( 0.000 -0.710 0.000) 0.710 28.661 ( 0.000 -1.759 0.000) 1.759 28.774 ( 0.000 -2.913 0.000) 2.913 28.903 ( 0.000 1.373 0.000) 1.373 28.991 ( 0.000 -0.764 0.000) 0.764 29.334 ( 0.000 -0.910 0.000) 0.910 30.306 ( 0.000 -2.992 0.000) 2.992 30.729 ( 0.000 -12.762 0.000) 12.762 ======================= Grid point 10 (7/114) ======================= q-point: ( 0.11 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.759 ( 4.066 28.100 13.672) 31.513 0.872 ( 19.209 21.221 7.500) 29.591 1.344 ( 23.603 28.392 -8.104) 37.801 1.686 ( 7.845 8.164 -0.948) 11.362 2.233 ( 6.731 5.443 -6.079) 10.578 2.304 ( 6.727 6.511 0.862) 9.401 2.670 ( -3.766 7.016 -0.461) 7.976 2.972 ( -1.822 4.794 1.116) 5.248 3.189 ( -0.946 7.364 1.508) 7.576 3.301 ( 0.767 2.328 5.367) 5.901 3.338 ( 0.782 -0.277 -0.539) 0.989 3.847 ( -2.026 1.728 -0.060) 2.664 3.943 ( -0.442 3.676 -0.037) 3.702 4.129 ( 5.821 -12.839 8.501) 16.462 4.307 ( 1.219 0.274 -2.894) 3.152 4.344 ( 3.949 -2.563 3.284) 5.740 4.545 ( -0.995 1.303 0.918) 1.879 4.746 ( 8.408 -0.517 -2.266) 8.724 5.005 ( -1.787 -4.938 5.268) 7.438 5.099 ( 1.811 2.114 -3.815) 4.722 5.398 ( 5.993 -3.411 -3.206) 7.605 5.499 ( 3.991 4.711 1.628) 6.385 5.638 ( 4.664 2.420 -8.825) 10.270 5.903 ( 5.765 -0.740 -0.723) 5.857 6.190 ( -10.684 -0.322 -3.472) 11.238 6.638 ( -4.330 1.071 -2.664) 5.195 6.719 ( -1.567 2.374 -0.995) 3.014 6.907 ( -1.420 -0.550 0.329) 1.558 7.328 ( -1.828 -1.274 3.128) 3.840 7.449 ( 9.169 -10.214 10.680) 17.392 7.628 ( 2.721 -5.371 1.180) 6.136 7.934 ( 3.235 -2.460 4.906) 6.371 8.357 ( -2.220 5.377 1.479) 6.002 8.523 ( 2.603 4.982 0.728) 5.668 8.766 ( 2.019 4.680 -4.318) 6.680 8.843 ( 2.440 1.524 -1.174) 3.107 10.183 ( -0.388 -8.810 1.171) 8.896 10.218 ( 1.616 -10.823 -1.699) 11.074 11.202 ( -9.984 6.128 4.474) 12.540 11.367 ( -1.329 7.892 -7.320) 10.846 11.507 ( -0.746 8.857 -0.427) 8.898 11.720 ( -1.085 1.384 1.311) 2.193 12.756 ( -0.606 8.910 -1.332) 9.029 13.296 ( -1.014 -0.678 2.467) 2.752 13.402 ( 2.122 -4.747 -4.031) 6.579 14.112 ( -16.556 8.778 -0.234) 18.741 14.921 ( -3.315 3.841 1.055) 5.182 15.039 ( -11.983 9.139 7.898) 17.015 15.275 ( -0.510 -12.882 -9.249) 15.866 15.502 ( -1.545 -13.568 -0.507) 13.665 18.292 ( -1.942 12.531 -0.679) 12.699 18.523 ( -6.274 14.991 3.141) 16.552 21.481 ( 1.029 -4.536 -6.064) 7.642 21.607 ( -0.358 -4.048 1.186) 4.233 25.888 ( -0.391 6.571 -1.650) 6.786 26.104 ( -1.612 7.583 0.744) 7.788 26.379 ( -0.330 12.562 0.428) 12.574 26.990 ( -36.384 36.495 -4.067) 51.693 27.998 ( 2.806 -0.373 -0.602) 2.894 28.270 ( -0.991 2.628 -0.908) 2.951 28.824 ( -0.883 -3.056 0.616) 3.240 29.080 ( 6.899 -1.701 -2.188) 7.435 29.317 ( 2.607 -2.093 2.303) 4.060 29.641 ( 10.627 -10.781 -31.524) 34.970 30.620 ( 2.657 -20.456 12.579) 24.160 30.850 ( 20.382 -23.988 23.307) 39.168 ======================= Grid point 11 (8/114) ======================= q-point: ( 0.22 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 14.476 11.402 1.513) 18.489 1.262 ( 19.806 13.594 4.960) 24.529 1.709 ( 8.887 4.260 -0.109) 9.856 1.914 ( 16.080 18.030 -2.310) 24.269 2.307 ( 1.971 8.607 2.262) 9.115 2.438 ( 3.865 8.048 -5.079) 10.272 2.710 ( 6.807 2.497 -3.627) 8.108 2.906 ( -4.289 7.215 -0.361) 8.401 3.110 ( -4.402 3.297 7.770) 9.519 3.335 ( 1.315 2.555 1.962) 3.480 3.406 ( 4.450 3.967 5.397) 8.041 3.794 ( -3.272 4.900 -1.177) 6.009 3.928 ( -0.381 2.424 0.087) 2.455 4.141 ( -4.646 -5.895 2.791) 8.008 4.303 ( -0.775 6.136 -5.343) 8.173 4.435 ( 4.651 -1.474 9.345) 10.542 4.608 ( 6.655 0.071 -2.915) 7.266 4.907 ( 8.467 -3.147 -6.065) 10.880 5.007 ( 1.522 -3.446 3.525) 5.159 5.168 ( 4.280 0.268 -4.288) 6.064 5.468 ( 0.775 1.099 -3.623) 3.865 5.574 ( 2.214 1.459 0.826) 2.777 5.645 ( 1.882 1.641 -2.613) 3.614 6.007 ( 4.299 -0.022 0.043) 4.299 6.204 ( 8.260 -10.245 -2.847) 13.464 6.574 ( -1.323 1.342 -0.736) 2.024 6.679 ( -2.815 0.827 -2.066) 3.588 6.913 ( 1.946 -0.939 2.684) 3.446 7.267 ( -3.694 -0.646 3.345) 5.025 7.472 ( -2.781 -6.376 5.951) 9.154 7.667 ( 0.063 -3.618 0.295) 3.631 7.973 ( -0.709 0.920 5.340) 5.465 8.333 ( -0.311 4.738 -0.523) 4.777 8.561 ( 1.638 5.043 1.707) 5.571 8.757 ( -2.240 5.691 -5.140) 7.989 8.918 ( 4.094 1.956 0.395) 4.554 10.176 ( -0.397 -8.280 0.810) 8.329 10.251 ( 1.807 -12.052 -1.331) 12.259 11.056 ( -4.445 2.064 2.056) 5.315 11.332 ( -2.575 7.587 -3.762) 8.852 11.503 ( 0.346 8.243 -0.215) 8.253 11.674 ( -3.076 2.675 0.658) 4.129 12.753 ( 0.497 8.432 -1.943) 8.667 13.274 ( -1.370 -2.080 2.585) 3.589 13.438 ( 1.450 -2.730 -4.348) 5.335 13.868 ( -7.651 12.959 0.361) 15.053 14.864 ( -1.970 5.278 0.799) 5.690 14.922 ( -3.243 3.917 3.749) 6.318 15.270 ( 0.165 -13.747 -4.604) 14.498 15.476 ( -1.348 -14.591 -0.080) 14.653 18.280 ( 0.610 9.139 -0.017) 9.159 18.445 ( -2.732 12.620 2.146) 13.090 21.483 ( -0.268 -4.404 -4.093) 6.018 21.597 ( -0.782 -4.142 1.397) 4.440 25.870 ( -1.232 7.578 -1.100) 7.756 26.056 ( -3.187 8.247 0.613) 8.862 26.371 ( -0.400 11.515 0.233) 11.524 26.584 ( -10.948 23.868 -0.901) 26.275 28.092 ( 6.064 -1.093 -0.398) 6.175 28.289 ( 2.080 0.615 -0.843) 2.326 28.811 ( -0.456 -3.009 -0.303) 3.058 29.133 ( -1.662 -2.777 -3.216) 4.562 29.448 ( 8.910 -1.838 1.774) 9.269 29.715 ( 2.722 -4.779 -7.302) 9.142 30.574 ( -3.024 -12.349 -10.530) 16.509 31.119 ( 5.906 -20.653 21.557) 30.433 ======================= Grid point 12 (9/114) ======================= q-point: ( 0.33 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 15.601 2.943 -8.461) 17.990 1.601 ( 12.405 6.675 2.415) 14.292 1.774 ( 1.610 5.989 -1.942) 6.498 2.144 ( 5.567 4.507 1.463) 7.311 2.349 ( 0.368 7.003 3.404) 7.795 2.468 ( 2.663 12.096 2.509) 12.637 2.728 ( -2.925 11.879 -1.012) 12.275 2.971 ( 7.980 2.395 -5.392) 9.924 3.047 ( -2.114 3.081 8.579) 9.357 3.333 ( -0.671 4.765 0.735) 4.868 3.510 ( 5.413 1.536 9.854) 11.347 3.718 ( -4.232 12.330 -3.131) 13.407 3.914 ( -2.073 1.453 -1.068) 2.748 4.022 ( -5.734 -1.635 -3.649) 6.990 4.275 ( -1.675 5.355 -4.123) 6.963 4.500 ( 0.971 3.981 8.308) 9.263 4.736 ( 6.164 -1.918 -1.209) 6.568 4.993 ( 0.065 -2.759 -2.147) 3.497 5.121 ( 8.592 -4.764 -1.504) 9.938 5.239 ( 2.134 0.527 -4.632) 5.127 5.402 ( -2.023 5.041 -2.062) 5.810 5.675 ( 5.200 -5.531 -2.073) 7.869 5.763 ( 9.433 -3.471 2.201) 10.290 6.070 ( 2.010 -0.944 -0.881) 2.390 6.338 ( 4.292 -7.324 -1.265) 8.582 6.594 ( -0.781 -1.597 -0.215) 1.791 6.632 ( 1.934 1.296 -1.961) 3.044 6.966 ( 2.690 -1.932 3.374) 4.728 7.203 ( -2.536 -1.291 2.288) 3.651 7.409 ( -3.244 -5.860 3.967) 7.785 7.661 ( 0.058 4.369 -0.006) 4.369 7.909 ( -5.458 6.060 2.764) 8.611 8.345 ( 1.593 4.413 -1.833) 5.037 8.566 ( -2.339 2.919 1.388) 3.990 8.730 ( 1.118 6.491 -2.153) 6.930 8.974 ( 1.445 2.265 -0.277) 2.701 10.169 ( -0.325 -7.881 0.453) 7.901 10.283 ( 1.398 -12.696 -0.800) 12.798 11.018 ( -0.106 -1.083 2.421) 2.655 11.260 ( -4.412 3.976 -2.630) 6.496 11.513 ( 0.414 8.995 0.427) 9.015 11.625 ( -1.618 4.897 -0.619) 5.195 12.771 ( 1.255 7.988 -1.479) 8.220 13.246 ( -1.462 -2.293 1.719) 3.217 13.453 ( 0.338 -2.390 -2.619) 3.562 13.783 ( -2.060 9.134 0.067) 9.364 14.836 ( -0.949 3.614 -1.016) 3.872 14.878 ( -1.724 3.296 4.071) 5.515 15.278 ( 0.831 -13.902 -2.874) 14.221 15.447 ( -1.543 -14.415 0.165) 14.499 18.304 ( 1.562 8.810 -0.021) 8.947 18.403 ( -1.856 11.120 1.376) 11.358 21.475 ( -0.245 -4.463 -2.246) 5.003 21.579 ( -1.034 -4.184 1.106) 4.450 25.847 ( -0.926 8.652 -0.370) 8.709 25.991 ( -3.215 8.746 0.308) 9.323 26.365 ( -0.226 10.707 0.151) 10.711 26.447 ( -4.360 16.107 -0.049) 16.687 28.211 ( 5.683 -1.125 -0.654) 5.830 28.334 ( 2.300 -0.482 0.008) 2.350 28.803 ( -0.413 -2.901 -0.356) 2.952 29.065 ( -4.196 -3.640 -1.625) 5.788 29.530 ( -0.169 -0.394 -2.147) 2.189 29.844 ( 9.228 -5.756 5.328) 12.111 30.533 ( -0.499 -9.804 -13.612) 16.782 31.172 ( 0.080 -13.587 12.864) 18.711 ======================= Grid point 13 (10/114) ======================= q-point: ( 0.44 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 4.394 4.301 -8.221) 10.266 1.673 ( 0.857 6.390 1.551) 6.631 1.908 ( 7.711 0.396 -0.487) 7.736 2.159 ( -3.133 -2.308 1.310) 4.106 2.321 ( -0.487 4.698 2.764) 5.473 2.528 ( 0.823 10.898 2.736) 11.267 2.708 ( 0.612 19.476 -0.371) 19.489 3.038 ( 1.913 3.293 5.370) 6.584 3.074 ( 0.927 2.574 -4.597) 5.349 3.351 ( 2.570 4.260 3.484) 6.074 3.536 ( -3.924 4.532 -0.626) 6.027 3.693 ( 2.417 13.439 2.782) 13.935 3.864 ( -1.416 2.765 -1.488) 3.445 3.932 ( -3.506 0.321 -4.366) 5.609 4.250 ( -0.609 4.230 -1.214) 4.443 4.492 ( -1.029 5.965 2.852) 6.692 4.858 ( 6.175 -3.956 4.508) 8.608 4.958 ( -3.441 -3.235 -5.415) 7.185 5.212 ( -1.324 4.047 -1.606) 4.551 5.231 ( 1.547 -1.804 0.186) 2.384 5.447 ( 3.232 -1.083 -1.294) 3.646 5.742 ( 1.703 -7.543 -1.102) 7.811 5.963 ( 9.196 -6.402 2.290) 11.436 6.079 ( -1.441 -3.568 -1.722) 4.216 6.384 ( 1.015 -2.129 -0.184) 2.366 6.514 ( -4.029 -3.309 -0.244) 5.219 6.728 ( 3.975 1.025 -0.835) 4.189 6.993 ( -0.030 -3.623 1.658) 3.985 7.182 ( 0.059 -1.170 0.671) 1.350 7.366 ( -1.146 -4.088 1.507) 4.505 7.683 ( 2.112 9.520 0.278) 9.755 7.796 ( -5.098 8.206 0.549) 9.676 8.393 ( 3.260 4.683 -1.687) 5.950 8.488 ( -4.498 2.188 1.084) 5.118 8.778 ( 2.301 4.516 -0.118) 5.070 8.979 ( -0.427 2.937 -0.338) 2.987 10.165 ( -0.099 -7.805 0.140) 7.807 10.302 ( 0.525 -13.071 -0.273) 13.085 11.036 ( 1.296 -0.754 1.890) 2.413 11.178 ( -3.072 -0.224 -1.821) 3.578 11.517 ( 0.065 11.064 0.368) 11.070 11.610 ( -0.215 5.580 -0.494) 5.606 12.791 ( 0.631 7.804 -0.533) 7.847 13.224 ( -0.665 -2.458 0.585) 2.613 13.455 ( 0.021 -2.615 -0.793) 2.733 13.763 ( -0.370 7.305 -0.065) 7.315 14.828 ( 0.168 2.935 -1.909) 3.505 14.852 ( -1.073 3.145 3.046) 4.508 15.294 ( 0.655 -13.794 -1.114) 13.855 15.421 ( -0.873 -14.251 0.182) 14.279 18.335 ( 1.510 10.445 -0.327) 10.558 18.371 ( -1.469 9.311 0.786) 9.459 21.472 ( -0.043 -4.579 -0.755) 4.641 21.563 ( -0.501 -4.227 0.446) 4.280 25.836 ( -0.215 9.222 -0.070) 9.225 25.943 ( -1.438 8.939 0.101) 9.054 26.363 ( 0.052 10.459 0.151) 10.461 26.393 ( -1.382 13.088 -0.080) 13.161 28.293 ( 2.371 -0.633 -0.818) 2.587 28.369 ( 1.089 -1.589 0.667) 2.038 28.795 ( -0.363 -2.660 -0.183) 2.690 28.998 ( -2.106 -4.310 -0.487) 4.821 29.511 ( -0.751 0.366 -0.565) 1.008 29.984 ( 3.878 -5.988 3.205) 7.821 30.536 ( 0.665 -9.585 -6.589) 11.650 31.165 ( -0.625 -10.313 4.626) 11.320 ======================= Grid point 18 (11/114) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 0.000 21.052 0.000) 21.052 1.497 ( 0.000 32.082 0.000) 32.082 1.679 ( 0.000 11.330 0.000) 11.330 1.814 ( 0.000 16.926 0.000) 16.926 2.373 ( 0.000 7.278 0.000) 7.278 2.428 ( 0.000 17.147 0.000) 17.147 2.810 ( 0.000 4.802 0.000) 4.802 3.050 ( 0.000 4.084 0.000) 4.084 3.205 ( 0.000 -3.627 0.000) 3.627 3.320 ( 0.000 3.061 0.000) 3.061 3.439 ( 0.000 4.833 0.000) 4.833 3.801 ( 0.000 -5.196 0.000) 5.196 3.889 ( 0.000 -3.688 0.000) 3.688 4.095 ( 0.000 0.841 0.000) 0.841 4.250 ( 0.000 0.811 0.000) 0.811 4.319 ( 0.000 9.043 0.000) 9.043 4.655 ( 0.000 2.340 0.000) 2.340 4.672 ( 0.000 3.349 0.000) 3.349 4.918 ( 0.000 -5.072 0.000) 5.072 5.138 ( 0.000 -3.322 0.000) 3.322 5.285 ( 0.000 11.194 0.000) 11.194 5.563 ( 0.000 -4.087 0.000) 4.087 5.633 ( 0.000 6.311 0.000) 6.311 5.952 ( 0.000 8.545 0.000) 8.545 6.347 ( 0.000 -0.331 0.000) 0.331 6.620 ( 0.000 -3.305 0.000) 3.305 6.832 ( 0.000 -1.738 0.000) 1.738 6.998 ( 0.000 1.274 0.000) 1.274 7.060 ( 0.000 2.357 0.000) 2.357 7.427 ( 0.000 4.065 0.000) 4.065 7.592 ( 0.000 -0.911 0.000) 0.911 7.804 ( 0.000 -5.319 0.000) 5.319 8.547 ( 0.000 6.757 0.000) 6.757 8.560 ( 0.000 5.852 0.000) 5.852 8.850 ( 0.000 1.227 0.000) 1.227 8.924 ( 0.000 9.741 0.000) 9.741 9.975 ( 0.000 -10.260 0.000) 10.260 10.003 ( 0.000 -7.118 0.000) 7.118 11.474 ( 0.000 3.445 0.000) 3.445 11.487 ( 0.000 8.957 0.000) 8.957 11.710 ( 0.000 8.114 0.000) 8.114 11.764 ( 0.000 2.413 0.000) 2.413 13.011 ( 0.000 11.540 0.000) 11.540 13.192 ( 0.000 -7.837 0.000) 7.837 13.360 ( 0.000 3.342 0.000) 3.342 14.096 ( 0.000 -12.824 0.000) 12.824 14.820 ( 0.000 -21.206 0.000) 21.206 14.926 ( 0.000 -25.866 0.000) 25.866 14.991 ( 0.000 -3.272 0.000) 3.272 15.349 ( 0.000 -10.031 0.000) 10.031 18.734 ( 0.000 24.006 0.000) 24.006 18.999 ( 0.000 20.046 0.000) 20.046 21.352 ( 0.000 -7.198 0.000) 7.198 21.469 ( 0.000 -9.673 0.000) 9.673 26.093 ( 0.000 12.334 0.000) 12.334 26.335 ( 0.000 12.860 0.000) 12.860 26.727 ( 0.000 18.614 0.000) 18.614 27.690 ( 0.000 -3.866 0.000) 3.866 28.031 ( 0.000 -0.771 0.000) 0.771 28.602 ( 0.000 -3.954 0.000) 3.954 28.691 ( 0.000 -4.814 0.000) 4.814 28.944 ( 0.000 2.442 0.000) 2.442 28.962 ( 0.000 -2.267 0.000) 2.267 29.300 ( 0.000 -2.527 0.000) 2.527 30.219 ( 0.000 -5.073 0.000) 5.073 30.398 ( 0.000 -17.109 0.000) 17.109 ======================= Grid point 19 (12/114) ======================= q-point: ( 0.11 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 9.181 17.412 4.197) 20.127 1.464 ( -0.110 29.160 13.700) 32.218 1.707 ( 5.051 11.806 -1.466) 12.924 1.961 ( 11.544 12.997 -9.840) 19.975 2.397 ( 3.098 6.950 -2.686) 8.069 2.549 ( 9.784 15.001 0.879) 17.931 2.798 ( -0.753 7.437 -0.517) 7.492 3.029 ( -2.100 2.068 -1.234) 3.195 3.184 ( -0.783 -1.471 5.077) 5.344 3.376 ( 3.004 0.358 -4.922) 5.777 3.482 ( 5.082 10.490 6.333) 13.265 3.821 ( -0.406 -2.117 0.252) 2.171 3.940 ( 5.706 -4.330 -0.231) 7.167 4.080 ( -1.302 2.730 0.474) 3.062 4.303 ( 2.073 2.030 1.449) 3.243 4.355 ( 6.339 0.563 -0.957) 6.436 4.627 ( 1.119 7.005 -2.549) 7.537 4.736 ( 3.863 0.183 0.888) 3.968 4.916 ( 0.260 -2.867 1.817) 3.405 5.168 ( 2.416 1.387 -5.769) 6.407 5.316 ( 2.792 1.641 -2.997) 4.413 5.575 ( 1.566 0.870 5.942) 6.206 5.690 ( 4.115 1.145 -4.912) 6.510 5.943 ( -1.503 3.102 -0.524) 3.487 6.218 ( -7.707 6.210 -1.346) 9.989 6.638 ( -0.490 -1.269 -0.226) 1.379 6.744 ( -4.455 0.067 0.159) 4.458 6.909 ( -3.245 1.227 -1.714) 3.870 7.233 ( 5.799 -4.152 9.762) 12.090 7.398 ( -2.344 1.873 3.167) 4.362 7.613 ( 2.612 1.447 0.096) 2.987 7.858 ( 5.052 -4.816 -0.707) 7.015 8.476 ( -2.501 6.386 0.860) 6.912 8.655 ( 4.243 6.421 -1.392) 7.821 8.840 ( -0.265 1.356 -7.943) 8.063 8.952 ( 2.512 8.801 4.202) 10.071 9.970 ( -0.183 -10.641 -0.573) 10.658 10.014 ( 0.807 -6.978 1.031) 7.100 11.327 ( -10.134 6.014 2.494) 12.045 11.527 ( 0.391 7.912 -5.266) 9.512 11.694 ( -1.406 7.210 -0.987) 7.412 11.759 ( -0.644 2.829 3.114) 4.256 12.999 ( -0.962 11.456 -0.195) 11.498 13.188 ( -0.125 -6.544 2.745) 7.098 13.387 ( 2.211 2.553 -4.630) 5.731 14.040 ( -5.126 -10.020 0.925) 11.293 14.819 ( 0.054 -20.465 0.903) 20.485 14.912 ( -1.506 -23.668 0.563) 23.723 14.979 ( -1.160 -3.216 0.224) 3.427 15.283 ( -5.402 -6.855 0.157) 8.729 18.697 ( -3.520 24.496 -1.013) 24.769 18.912 ( -6.443 21.758 0.905) 22.710 21.354 ( -0.031 -7.988 -2.818) 8.471 21.466 ( -0.318 -9.524 1.134) 9.597 26.096 ( 0.286 12.758 -0.322) 12.766 26.327 ( -0.937 13.300 0.329) 13.337 26.713 ( -1.375 18.064 0.744) 18.132 27.445 ( -21.931 9.578 -1.335) 23.968 28.002 ( 0.730 0.726 0.263) 1.062 28.338 ( -5.939 3.240 -0.485) 6.783 28.731 ( -0.566 -5.623 -1.289) 5.796 29.017 ( 4.626 -4.636 -1.397) 6.697 29.247 ( 6.459 -4.380 -1.078) 7.879 29.421 ( 14.994 -8.336 -10.056) 19.885 30.223 ( 0.153 -14.572 14.846) 20.803 30.502 ( 9.951 -14.140 -0.436) 17.296 ======================= Grid point 20 (13/114) ======================= q-point: ( 0.22 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 1.900 16.684 10.333) 19.716 1.621 ( 11.813 19.075 2.778) 22.608 1.834 ( 6.258 8.130 -0.390) 10.267 2.166 ( 8.326 9.356 -5.699) 13.760 2.446 ( 1.515 4.876 0.827) 5.173 2.754 ( 6.214 11.341 -3.655) 13.438 2.801 ( 4.135 9.775 -0.591) 10.630 2.970 ( -2.300 0.704 2.145) 3.223 3.204 ( 2.266 4.108 4.159) 6.269 3.406 ( 1.189 0.816 2.182) 2.616 3.591 ( 2.207 15.578 2.323) 15.904 3.802 ( 1.322 -0.016 1.410) 1.933 4.005 ( -1.895 -1.156 1.265) 2.555 4.070 ( 1.360 0.989 -4.959) 5.236 4.387 ( 5.418 -2.017 2.695) 6.379 4.479 ( 6.674 3.496 -4.034) 8.546 4.710 ( 5.729 10.920 -0.829) 12.360 4.817 ( 4.124 -2.855 -2.202) 5.478 4.938 ( 2.193 -1.782 1.131) 3.043 5.227 ( 3.599 5.031 -3.566) 7.140 5.378 ( 4.121 -6.554 -3.150) 8.358 5.600 ( -0.097 -0.396 0.937) 1.022 5.708 ( -2.392 2.828 -0.823) 3.795 5.920 ( 1.269 -6.929 -2.450) 7.458 6.194 ( 4.260 9.520 0.474) 10.440 6.598 ( -2.226 0.800 0.893) 2.528 6.677 ( -3.287 -1.122 -0.076) 3.474 6.888 ( 1.234 -0.666 0.317) 1.438 7.244 ( -2.871 -1.000 6.567) 7.236 7.356 ( -2.221 -2.540 4.225) 5.407 7.686 ( 4.273 3.263 0.491) 5.399 7.958 ( 3.923 -2.282 1.053) 4.659 8.453 ( -0.107 6.386 -0.606) 6.416 8.687 ( -0.737 5.822 -0.463) 5.887 8.849 ( 1.371 2.633 -7.726) 8.277 9.013 ( 3.106 7.656 3.047) 8.806 9.971 ( 0.216 -10.867 -0.149) 10.870 10.028 ( 0.570 -7.283 0.957) 7.368 11.139 ( -8.075 5.690 0.789) 9.910 11.478 ( -5.579 6.390 -2.253) 8.776 11.678 ( 0.390 6.335 -1.646) 6.557 11.750 ( -0.252 5.365 2.157) 5.788 12.985 ( -0.316 10.862 -0.403) 10.874 13.194 ( 0.536 -3.872 2.702) 4.752 13.416 ( 0.489 0.866 -5.074) 5.170 13.933 ( -5.036 -4.830 1.583) 7.156 14.825 ( 0.324 -19.118 0.607) 19.131 14.873 ( -2.224 -18.125 1.908) 18.360 14.955 ( -1.072 -4.143 0.480) 4.306 15.188 ( -3.849 -6.604 -1.277) 7.750 18.629 ( -2.411 23.339 -1.291) 23.498 18.813 ( -3.758 21.885 1.286) 22.242 21.345 ( -0.652 -8.861 -2.754) 9.302 21.457 ( -0.761 -9.361 1.274) 9.478 26.101 ( 0.172 13.954 -0.328) 13.959 26.297 ( -2.106 14.457 0.528) 14.619 26.681 ( -1.780 16.800 0.337) 16.897 27.059 ( -15.664 18.591 -0.435) 24.314 28.070 ( 5.330 -0.739 0.296) 5.389 28.303 ( 0.360 0.546 -0.965) 1.166 28.719 ( -0.463 -5.666 -0.930) 5.760 29.036 ( -2.803 -6.670 -1.682) 7.428 29.392 ( 9.545 -3.459 1.344) 10.241 29.596 ( 4.181 -5.843 -6.490) 9.682 30.238 ( 1.035 -17.252 -0.513) 17.291 30.708 ( 9.142 -17.217 8.730) 21.359 ======================= Grid point 21 (14/114) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 9.003 9.404 5.452) 14.114 1.813 ( 5.616 10.769 -3.173) 12.553 1.922 ( 3.934 9.395 1.165) 10.252 2.236 ( -2.010 4.657 -1.560) 5.307 2.471 ( 1.700 8.342 3.950) 9.385 2.729 ( -1.559 10.353 -2.369) 10.734 2.940 ( 4.975 5.502 2.020) 7.688 3.021 ( 5.871 3.080 0.068) 6.630 3.249 ( 1.779 8.940 1.784) 9.288 3.439 ( 1.581 4.489 2.853) 5.548 3.575 ( -0.981 8.621 5.083) 10.055 3.852 ( -0.874 3.861 5.126) 6.476 3.960 ( 0.189 -0.167 -6.153) 6.159 4.064 ( -0.820 2.456 -6.816) 7.291 4.458 ( 1.738 5.814 -0.790) 6.119 4.605 ( 3.899 7.341 -0.093) 8.312 4.769 ( 1.156 5.584 0.377) 5.715 4.899 ( 3.236 -2.714 -3.109) 5.244 5.004 ( 4.677 -4.739 -1.178) 6.762 5.290 ( 3.268 2.962 -2.870) 5.262 5.444 ( 1.127 -1.902 -0.902) 2.388 5.579 ( -1.296 -3.147 0.465) 3.435 5.722 ( 5.327 1.396 1.879) 5.819 5.954 ( 1.409 -8.983 -2.737) 9.496 6.302 ( 5.269 4.797 0.081) 7.126 6.542 ( -4.091 -2.719 1.184) 5.053 6.663 ( 2.662 0.899 -0.923) 2.957 6.925 ( 1.539 -1.459 1.381) 2.531 7.189 ( -2.161 0.776 3.456) 4.149 7.320 ( -1.411 -2.378 3.487) 4.451 7.771 ( 4.394 5.238 0.333) 6.845 7.987 ( -0.977 1.679 2.117) 2.873 8.464 ( 1.072 5.996 -1.977) 6.404 8.649 ( -2.678 4.591 -0.973) 5.404 8.877 ( 1.781 6.109 -3.861) 7.443 9.059 ( 1.278 6.537 1.679) 6.869 9.976 ( 0.212 -10.067 0.319) 10.074 10.035 ( 0.162 -8.727 0.514) 8.744 11.039 ( -2.070 3.471 0.470) 4.068 11.334 ( -8.222 3.511 -0.871) 8.983 11.702 ( 1.733 7.378 -1.606) 7.747 11.750 ( 0.083 7.010 1.126) 7.101 12.988 ( 0.592 10.253 -0.243) 10.273 13.206 ( 0.469 -1.014 1.495) 1.866 13.400 ( -1.571 -1.860 -2.881) 3.772 13.864 ( -2.137 -1.428 0.863) 2.711 14.815 ( -1.290 -14.891 -0.031) 14.947 14.849 ( -0.247 -17.201 2.057) 17.325 14.943 ( -0.099 -5.369 1.071) 5.475 15.130 ( -2.243 -8.712 -2.046) 9.226 18.612 ( 0.452 20.831 -0.876) 20.855 18.756 ( -2.307 21.877 1.023) 22.022 21.332 ( -0.532 -9.343 -1.757) 9.521 21.439 ( -1.044 -9.296 0.949) 9.402 26.104 ( 0.255 15.401 -0.237) 15.405 26.250 ( -2.593 15.541 0.489) 15.764 26.652 ( -1.061 15.544 -0.160) 15.581 26.835 ( -7.893 18.719 0.276) 20.317 28.182 ( 5.630 -1.600 0.002) 5.853 28.319 ( 0.925 -0.961 -0.362) 1.382 28.713 ( -0.156 -5.684 -0.540) 5.712 28.949 ( -5.145 -7.404 -0.887) 9.060 29.523 ( 2.268 -0.268 -1.384) 2.670 29.692 ( 7.321 -7.796 2.379) 10.956 30.258 ( 1.104 -15.204 -6.696) 16.650 30.838 ( 4.037 -16.757 7.104) 18.643 ======================= Grid point 22 (15/114) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 9.421 7.530 1.873) 12.206 1.809 ( -3.701 5.296 -2.935) 7.096 2.011 ( 3.510 9.679 -0.686) 10.319 2.129 ( -5.824 0.367 1.469) 6.017 2.510 ( 1.357 13.489 1.681) 13.661 2.737 ( 1.195 9.428 0.436) 9.514 3.013 ( 2.138 6.427 0.757) 6.816 3.107 ( 2.695 2.558 -1.254) 3.922 3.261 ( -0.609 10.186 1.881) 10.376 3.483 ( 3.872 8.947 2.209) 9.996 3.562 ( -2.412 2.475 1.983) 3.984 3.774 ( -3.527 0.691 -0.205) 3.600 3.985 ( 0.446 4.670 -1.638) 4.969 4.080 ( 2.185 3.072 -3.571) 5.192 4.485 ( 1.830 15.168 -1.312) 15.334 4.583 ( -3.961 4.698 0.725) 6.187 4.825 ( 3.965 2.228 4.803) 6.615 4.897 ( -2.561 -0.737 -5.874) 6.451 5.095 ( 3.124 -8.430 -0.355) 8.997 5.332 ( 0.534 4.401 -0.196) 4.437 5.460 ( 1.292 0.669 -2.174) 2.616 5.556 ( -0.892 -8.483 1.233) 8.618 5.858 ( 6.387 -1.697 3.549) 7.502 5.959 ( -1.182 -6.001 -3.480) 7.037 6.369 ( 1.486 0.400 0.302) 1.569 6.466 ( -2.685 -0.626 0.333) 2.777 6.736 ( 3.141 -0.544 -0.706) 3.265 6.931 ( -0.557 -1.957 0.817) 2.193 7.173 ( -0.001 1.229 0.984) 1.575 7.307 ( -0.156 -1.557 1.445) 2.130 7.857 ( 4.355 6.422 -0.357) 7.768 7.937 ( -3.738 4.979 1.605) 6.429 8.484 ( 0.879 3.255 -1.360) 3.635 8.599 ( -1.870 7.401 -0.379) 7.643 8.910 ( 1.294 7.578 -0.985) 7.751 9.067 ( -0.111 5.634 0.542) 5.661 9.978 ( 0.045 -8.891 0.264) 8.895 10.037 ( 0.000 -10.455 0.098) 10.456 11.048 ( 2.187 2.255 0.452) 3.173 11.189 ( -5.750 1.788 -0.558) 6.047 11.732 ( 1.240 8.124 -1.007) 8.279 11.749 ( -0.342 7.423 0.751) 7.469 13.001 ( 0.513 10.344 -0.040) 10.357 13.210 ( -0.072 0.693 0.315) 0.764 13.372 ( -0.848 -4.208 -0.683) 4.347 13.841 ( -0.468 -0.043 0.147) 0.493 14.796 ( -0.511 -13.418 0.073) 13.427 14.846 ( -0.188 -15.099 0.644) 15.114 14.948 ( 0.338 -7.560 0.736) 7.603 15.098 ( -0.901 -9.715 -1.092) 9.817 18.630 ( 0.879 19.169 -0.389) 19.193 18.722 ( -1.122 22.335 0.474) 22.368 21.324 ( -0.160 -9.590 -0.618) 9.611 21.423 ( -0.510 -9.272 0.371) 9.293 26.111 ( 0.368 16.561 -0.129) 16.565 26.207 ( -1.431 15.790 0.234) 15.856 26.640 ( -0.191 14.807 -0.150) 14.809 26.736 ( -2.496 18.073 0.211) 18.246 28.274 ( 3.414 -1.408 -0.622) 3.745 28.325 ( -0.490 -2.416 0.557) 2.527 28.712 ( 0.044 -5.219 -0.188) 5.222 28.866 ( -2.651 -7.988 -0.287) 8.421 29.533 ( -0.109 1.785 -0.485) 1.852 29.816 ( 3.718 -9.460 1.867) 10.334 30.272 ( 0.495 -14.487 -3.614) 14.939 30.886 ( 0.962 -15.308 2.608) 15.558 ======================= Grid point 27 (16/114) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.000 14.302 0.000) 14.302 1.776 ( 0.000 1.496 0.000) 1.496 1.996 ( 0.000 17.425 0.000) 17.425 2.336 ( 0.000 28.113 0.000) 28.113 2.546 ( 0.000 9.701 0.000) 9.701 2.636 ( 0.000 4.028 0.000) 4.028 2.872 ( 0.000 -0.242 0.000) 0.242 3.103 ( 0.000 1.814 0.000) 1.814 3.295 ( 0.000 7.136 0.000) 7.136 3.341 ( 0.000 0.480 0.000) 0.480 3.593 ( 0.000 9.063 0.000) 9.063 3.719 ( 0.000 -2.108 0.000) 2.108 3.794 ( 0.000 -2.596 0.000) 2.596 4.007 ( 0.000 -5.778 0.000) 5.778 4.280 ( 0.000 0.551 0.000) 0.551 4.467 ( 0.000 1.025 0.000) 1.025 4.662 ( 0.000 -1.555 0.000) 1.555 4.753 ( 0.000 3.774 0.000) 3.774 4.892 ( 0.000 2.338 0.000) 2.338 5.081 ( 0.000 -3.168 0.000) 3.168 5.437 ( 0.000 -7.042 0.000) 7.042 5.502 ( 0.000 5.028 0.000) 5.028 5.775 ( 0.000 7.374 0.000) 7.374 6.104 ( 0.000 5.869 0.000) 5.869 6.458 ( 0.000 9.928 0.000) 9.928 6.594 ( 0.000 3.001 0.000) 3.001 6.815 ( 0.000 0.939 0.000) 0.939 7.038 ( 0.000 2.131 0.000) 2.131 7.101 ( 0.000 1.787 0.000) 1.787 7.493 ( 0.000 -0.993 0.000) 0.993 7.591 ( 0.000 1.608 0.000) 1.608 7.753 ( 0.000 4.209 0.000) 4.209 8.647 ( 0.000 -0.446 0.000) 0.446 8.714 ( 0.000 9.288 0.000) 9.288 8.923 ( 0.000 8.282 0.000) 8.282 9.029 ( 0.000 -0.916 0.000) 0.916 9.796 ( 0.000 -6.247 0.000) 6.247 9.952 ( 0.000 2.228 0.000) 2.228 11.569 ( 0.000 5.806 0.000) 5.806 11.652 ( 0.000 5.583 0.000) 5.583 11.825 ( 0.000 2.668 0.000) 2.668 11.832 ( 0.000 4.819 0.000) 4.819 12.933 ( 0.000 -9.283 0.000) 9.283 13.345 ( 0.000 11.602 0.000) 11.602 13.411 ( 0.000 -0.478 0.000) 0.478 13.793 ( 0.000 -16.574 0.000) 16.574 14.328 ( 0.000 -21.682 0.000) 21.682 14.380 ( 0.000 -21.657 0.000) 21.657 14.903 ( 0.000 -6.128 0.000) 6.128 15.116 ( 0.000 -12.278 0.000) 12.278 19.287 ( 0.000 27.763 0.000) 27.763 19.462 ( 0.000 23.475 0.000) 23.475 21.148 ( 0.000 -12.355 0.000) 12.355 21.207 ( 0.000 -15.210 0.000) 15.210 26.383 ( 0.000 14.770 0.000) 14.770 26.628 ( 0.000 14.120 0.000) 14.120 27.113 ( 0.000 17.393 0.000) 17.393 27.602 ( 0.000 -4.317 0.000) 4.317 28.018 ( 0.000 -0.446 0.000) 0.446 28.494 ( 0.000 -6.325 0.000) 6.325 28.588 ( 0.000 -4.507 0.000) 4.507 28.877 ( 0.000 -6.336 0.000) 6.336 29.002 ( 0.000 2.934 0.000) 2.934 29.232 ( 0.000 -3.534 0.000) 3.534 30.083 ( 0.000 -11.709 0.000) 11.709 30.103 ( 0.000 -5.812 0.000) 5.812 ======================= Grid point 28 (17/114) ======================= q-point: ( 0.11 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 5.375 11.566 -0.993) 12.792 1.784 ( 2.308 4.756 -0.267) 5.293 2.053 ( 4.160 17.465 5.155) 18.679 2.346 ( 2.144 23.229 -3.074) 23.529 2.543 ( 0.866 7.728 -0.453) 7.789 2.714 ( 5.575 3.365 5.522) 8.538 2.899 ( 2.614 1.104 1.958) 3.448 3.095 ( -0.745 4.203 0.507) 4.299 3.283 ( -0.017 5.878 1.591) 6.090 3.383 ( 2.770 1.966 -9.126) 9.738 3.602 ( 2.112 2.769 1.328) 3.728 3.812 ( 7.395 -0.318 -1.105) 7.484 3.877 ( 7.208 -0.199 -0.344) 7.219 4.075 ( 5.823 -3.587 1.041) 6.918 4.278 ( 1.132 -2.063 0.786) 2.481 4.455 ( -3.808 6.082 0.871) 7.228 4.691 ( 2.813 -0.337 -2.454) 3.748 4.740 ( 2.215 -0.603 1.725) 2.872 4.889 ( 2.335 -1.590 -2.319) 3.655 5.147 ( 3.975 -1.230 0.780) 4.233 5.420 ( -1.018 -0.763 -2.581) 2.877 5.540 ( 2.201 -0.613 2.293) 3.237 5.763 ( -0.929 5.068 -1.731) 5.436 6.011 ( -7.879 4.588 -1.267) 9.205 6.443 ( -0.675 12.596 -1.013) 12.655 6.628 ( 2.092 2.377 1.354) 3.444 6.751 ( -5.387 1.604 1.739) 5.883 6.959 ( -4.513 2.941 -2.463) 5.923 7.193 ( 4.733 0.265 6.066) 7.699 7.448 ( -3.082 1.844 2.428) 4.335 7.670 ( 5.436 2.356 -0.338) 5.934 7.784 ( 4.207 1.589 -1.135) 4.638 8.597 ( -3.022 2.196 -5.158) 6.369 8.769 ( 3.112 5.354 1.512) 6.374 8.892 ( -1.567 4.210 -0.663) 4.541 9.094 ( 5.032 4.340 1.880) 6.906 9.789 ( -0.572 -6.078 -1.438) 6.272 9.956 ( 0.269 1.524 0.903) 1.792 11.464 ( -8.363 7.286 0.003) 11.091 11.671 ( -0.706 4.252 1.190) 4.471 11.787 ( -2.025 4.096 0.266) 4.577 11.851 ( 0.920 4.385 -0.457) 4.504 12.942 ( 0.904 -8.726 -2.375) 9.088 13.329 ( -0.960 10.042 -0.345) 10.093 13.431 ( 0.948 -0.251 0.164) 0.994 13.775 ( -1.507 -15.320 1.064) 15.430 14.332 ( 0.300 -21.559 -0.823) 21.576 14.383 ( 0.280 -21.062 1.027) 21.089 14.894 ( -0.838 -6.156 -0.419) 6.227 15.101 ( -1.487 -10.729 1.391) 10.921 19.260 ( -2.707 28.203 -0.520) 28.337 19.408 ( -4.578 24.871 0.300) 25.291 21.135 ( -1.205 -13.086 -1.639) 13.243 21.209 ( 0.045 -14.849 1.012) 14.883 26.397 ( 1.271 15.258 -0.062) 15.311 26.633 ( 0.387 14.966 0.271) 14.974 27.089 ( -2.390 16.942 0.622) 17.121 27.518 ( -8.195 -0.370 -1.239) 8.297 28.018 ( 0.687 0.568 1.110) 1.424 28.373 ( -6.246 -0.548 0.134) 6.272 28.603 ( -0.517 -6.038 -1.270) 6.192 28.877 ( 0.588 -8.738 -0.943) 8.809 29.166 ( 8.751 -2.657 -1.197) 9.223 29.295 ( 8.496 -4.378 -1.793) 9.724 29.989 ( -3.824 -7.826 4.977) 10.032 30.239 ( 7.994 -10.839 -0.607) 13.482 ======================= Grid point 29 (18/114) ======================= q-point: ( 0.22 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -0.319 9.863 4.591) 10.884 1.881 ( 5.729 5.459 -1.902) 8.139 2.126 ( 3.302 16.945 3.042) 17.529 2.412 ( 2.040 13.225 -3.916) 13.942 2.586 ( 4.628 9.431 1.983) 10.691 2.820 ( 4.700 1.532 3.764) 6.213 2.973 ( 4.831 3.540 2.952) 6.678 3.072 ( -1.135 8.179 -0.620) 8.281 3.301 ( 1.194 1.950 3.607) 4.271 3.432 ( 3.405 4.449 -9.423) 10.962 3.663 ( 2.893 -1.299 2.346) 3.945 3.918 ( 1.864 -3.029 -0.773) 3.640 4.006 ( 4.092 4.287 -2.153) 6.305 4.154 ( 0.699 5.605 1.723) 5.905 4.336 ( 4.710 -2.146 -0.489) 5.199 4.436 ( 5.400 -2.194 0.001) 5.829 4.685 ( -0.016 -4.654 -0.680) 4.703 4.909 ( 9.284 1.695 -1.630) 9.577 4.995 ( 7.166 2.359 -0.191) 7.547 5.216 ( 4.137 -4.813 0.146) 6.348 5.396 ( -1.304 4.717 -1.705) 5.183 5.557 ( -0.242 -3.034 1.078) 3.229 5.750 ( -0.129 0.430 -4.452) 4.475 5.871 ( -5.082 3.386 0.646) 6.141 6.441 ( 0.280 11.320 -1.517) 11.424 6.622 ( -4.870 2.026 2.038) 5.655 6.663 ( -1.053 2.116 1.349) 2.721 6.906 ( -0.442 1.994 -0.865) 2.218 7.253 ( 1.400 2.426 5.998) 6.620 7.389 ( -3.011 5.545 3.086) 7.024 7.758 ( 4.310 2.331 -0.295) 4.909 7.917 ( 7.596 0.472 0.509) 7.628 8.540 ( -2.452 -0.102 -7.590) 7.977 8.786 ( -1.457 3.810 0.498) 4.109 8.909 ( 3.332 4.121 0.875) 5.371 9.189 ( 4.052 7.949 2.015) 9.147 9.782 ( 0.188 -6.120 -1.853) 6.398 9.958 ( -0.297 0.422 0.888) 1.027 11.293 ( -8.290 8.989 -0.351) 12.233 11.580 ( -7.840 3.116 3.352) 9.078 11.788 ( 1.674 5.132 -1.438) 5.587 11.868 ( 0.846 4.752 -0.274) 4.835 12.967 ( 1.811 -7.332 -4.476) 8.779 13.317 ( -0.379 8.491 0.875) 8.544 13.421 ( -2.101 -2.540 0.898) 3.417 13.755 ( -0.295 -11.911 0.871) 11.946 14.336 ( 0.215 -21.199 -1.189) 21.233 14.391 ( 0.366 -19.748 1.614) 19.818 14.877 ( -0.752 -5.986 -0.559) 6.059 15.065 ( -2.151 -8.005 1.590) 8.440 19.192 ( -3.656 28.766 -1.324) 29.028 19.327 ( -3.298 26.298 0.978) 26.522 21.107 ( -1.410 -13.915 -1.658) 14.084 21.204 ( -0.624 -14.662 0.970) 14.707 26.428 ( 1.808 16.560 -0.149) 16.659 26.636 ( -0.309 16.943 0.614) 16.957 27.031 ( -3.294 15.771 0.174) 16.112 27.329 ( -9.747 7.623 -0.633) 12.390 28.060 ( 3.445 -0.429 1.427) 3.754 28.304 ( -1.433 -0.699 -0.898) 1.830 28.584 ( -0.995 -6.810 -0.948) 6.947 28.851 ( -3.403 -10.654 -0.420) 11.192 29.317 ( 8.486 -3.231 0.299) 9.085 29.480 ( 7.688 -5.380 -4.145) 10.258 29.951 ( -0.316 -8.796 2.403) 9.124 30.389 ( 7.019 -13.554 2.315) 15.439 ======================= Grid point 30 (19/114) ======================= q-point: ( 0.33 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 3.978 8.144 8.607) 12.499 1.949 ( 1.007 3.135 -4.332) 5.442 2.191 ( 3.095 13.211 -0.125) 13.570 2.356 ( -6.644 8.233 -0.232) 10.582 2.721 ( 7.315 10.927 0.885) 13.179 2.882 ( 1.464 6.549 -1.108) 6.802 3.056 ( 3.359 7.181 3.459) 8.650 3.108 ( 4.745 5.001 -0.687) 6.928 3.322 ( 1.507 -0.265 4.168) 4.440 3.517 ( 4.667 5.190 -6.459) 9.510 3.688 ( -0.242 2.120 5.401) 5.807 3.907 ( -0.856 -4.064 -2.203) 4.701 4.025 ( -2.229 2.835 -4.043) 5.418 4.102 ( -3.782 6.049 4.172) 8.264 4.466 ( 7.122 -1.384 -1.842) 7.486 4.594 ( 6.926 -7.805 -1.846) 10.597 4.729 ( 5.615 -5.033 -0.739) 7.577 4.994 ( -0.081 2.719 -0.409) 2.751 5.074 ( -0.523 7.212 0.199) 7.234 5.271 ( -0.002 -3.956 -4.145) 5.730 5.429 ( 4.662 0.078 3.490) 5.824 5.535 ( -2.383 -1.003 -0.210) 2.594 5.792 ( 5.258 -3.401 -6.668) 9.147 5.842 ( 2.515 6.656 3.520) 7.938 6.428 ( -2.395 3.855 0.059) 4.539 6.539 ( -2.125 4.687 0.606) 5.182 6.672 ( 1.696 1.039 -0.220) 2.001 6.911 ( -0.007 -0.315 0.452) 0.551 7.274 ( 0.957 6.886 4.454) 8.256 7.341 ( -1.852 6.637 2.312) 7.268 7.852 ( 5.293 1.690 -0.582) 5.587 8.023 ( 2.596 3.116 3.272) 5.211 8.502 ( -1.016 -3.562 -8.053) 8.864 8.742 ( -2.645 2.438 1.276) 3.817 8.994 ( 5.008 6.940 -0.373) 8.567 9.239 ( 0.843 9.465 2.126) 9.737 9.798 ( 1.467 -5.782 -1.560) 6.166 9.941 ( -1.487 -0.687 0.613) 1.749 11.170 ( -3.865 8.978 -0.626) 9.794 11.412 ( -8.773 4.154 2.805) 10.104 11.827 ( 2.114 4.813 -0.649) 5.297 11.882 ( 0.498 4.812 -0.588) 4.874 13.009 ( 2.710 -5.797 -5.829) 8.656 13.291 ( -3.249 1.951 5.248) 6.473 13.380 ( -0.960 0.660 -0.863) 1.450 13.761 ( 0.645 -9.296 0.203) 9.321 14.342 ( 0.439 -20.299 -1.135) 20.335 14.393 ( -0.390 -19.007 1.563) 19.075 14.871 ( 0.242 -5.475 -0.452) 5.499 15.022 ( -2.183 -6.354 1.042) 6.799 19.139 ( -1.495 28.032 -1.286) 28.102 19.278 ( -1.884 26.928 1.033) 27.014 21.083 ( -0.948 -14.401 -1.159) 14.479 21.188 ( -0.972 -14.611 0.709) 14.661 26.464 ( 1.924 18.189 -0.330) 18.293 26.617 ( -1.682 18.646 0.884) 18.743 26.973 ( -2.388 14.274 -0.455) 14.479 27.172 ( -6.095 12.772 0.099) 14.152 28.139 ( 4.238 -2.654 1.052) 5.110 28.292 ( -0.254 -1.772 -0.810) 1.964 28.571 ( -0.197 -7.522 -0.403) 7.535 28.764 ( -4.965 -9.943 -0.356) 11.120 29.483 ( 7.687 -4.431 0.661) 8.897 29.576 ( 2.929 -2.473 -1.911) 4.283 29.965 ( 1.128 -10.936 -0.959) 11.036 30.502 ( 4.317 -15.045 2.578) 15.863 ======================= Grid point 31 (20/114) ======================= q-point: ( 0.44 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 8.562 3.926 8.821) 12.905 1.908 ( -5.193 4.146 -6.855) 9.547 2.191 ( -3.695 7.139 -4.023) 8.990 2.264 ( -0.111 11.967 3.642) 12.510 2.833 ( 3.838 11.500 2.724) 12.426 2.886 ( -0.707 6.378 -3.162) 7.154 3.130 ( 3.061 4.205 0.964) 5.290 3.166 ( 0.891 6.012 -0.175) 6.080 3.378 ( 3.024 4.073 2.912) 5.850 3.550 ( -1.004 1.937 -3.008) 3.716 3.719 ( 4.370 7.308 5.648) 10.217 3.845 ( -6.717 3.729 -4.511) 8.909 3.997 ( 2.154 -2.042 -4.347) 5.263 4.059 ( -1.892 -2.773 4.773) 5.836 4.566 ( 2.561 -1.633 -1.252) 3.285 4.663 ( 1.805 -4.149 -0.314) 4.536 4.873 ( 7.040 -3.531 -0.380) 7.885 4.962 ( -2.081 1.339 -0.800) 2.601 4.995 ( -5.440 3.481 -0.072) 6.459 5.278 ( 0.632 -5.085 -0.741) 5.177 5.471 ( 0.302 0.230 -0.174) 0.418 5.491 ( -1.704 -0.633 0.867) 2.014 5.890 ( 3.930 0.328 -1.422) 4.192 5.940 ( 4.206 7.882 0.307) 8.940 6.364 ( -2.779 0.055 1.003) 2.955 6.526 ( -0.059 5.254 -0.426) 5.271 6.714 ( 1.803 -0.707 -0.432) 1.984 6.900 ( -0.705 -1.646 0.384) 1.831 7.293 ( 0.548 10.856 1.908) 11.036 7.321 ( -0.332 4.497 0.616) 4.551 7.951 ( 4.581 2.582 -2.381) 5.772 8.023 ( -2.176 4.063 4.150) 6.202 8.491 ( -0.093 -3.933 -3.759) 5.441 8.700 ( -1.362 0.312 0.742) 1.582 9.087 ( 3.780 9.784 -0.990) 10.535 9.227 ( -1.558 9.437 1.518) 9.684 9.834 ( 2.014 -4.148 -0.915) 4.701 9.904 ( -2.042 -2.406 0.516) 3.198 11.145 ( 0.802 7.200 -0.791) 7.287 11.267 ( -5.337 6.053 1.585) 8.224 11.862 ( 1.316 4.486 0.215) 4.680 11.884 ( -0.244 4.785 -0.673) 4.838 13.061 ( 2.424 -4.683 -4.472) 6.914 13.217 ( -3.316 -3.041 4.646) 6.468 13.379 ( 0.261 4.153 -0.590) 4.203 13.772 ( 0.295 -8.452 0.007) 8.457 14.354 ( 0.779 -18.840 -0.995) 18.883 14.379 ( -0.900 -19.587 1.168) 19.643 14.881 ( 0.568 -4.799 -0.212) 4.837 14.987 ( -1.186 -6.010 0.387) 6.138 19.126 ( -0.125 26.993 -0.546) 26.999 19.253 ( -0.705 27.304 0.463) 27.317 21.070 ( -0.308 -14.648 -0.427) 14.657 21.173 ( -0.471 -14.543 0.275) 14.553 26.501 ( 1.637 19.759 -0.400) 19.830 26.578 ( -1.869 18.808 0.641) 18.912 26.942 ( -0.733 13.355 -0.284) 13.378 27.094 ( -1.955 15.098 0.138) 15.224 28.213 ( 2.883 -4.576 0.399) 5.424 28.280 ( -1.022 -2.149 -0.308) 2.399 28.578 ( 0.731 -7.355 0.011) 7.391 28.680 ( -2.978 -9.316 -0.268) 9.784 29.579 ( 1.764 1.422 -0.339) 2.291 29.623 ( 2.088 -7.460 0.419) 7.758 29.981 ( 0.452 -11.824 -1.023) 11.877 30.558 ( 1.385 -15.374 1.034) 15.471 ======================= Grid point 36 (21/114) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 0.000 7.763 0.000) 7.763 1.792 ( 0.000 0.175 0.000) 0.175 2.298 ( 0.000 11.936 0.000) 11.936 2.647 ( 0.000 -3.296 0.000) 3.296 2.721 ( 0.000 9.618 0.000) 9.618 2.867 ( 0.000 0.650 0.000) 0.650 2.867 ( 0.000 17.207 0.000) 17.207 3.136 ( 0.000 0.854 0.000) 0.854 3.363 ( 0.000 1.149 0.000) 1.149 3.378 ( 0.000 0.141 0.000) 0.141 3.658 ( 0.000 2.325 0.000) 2.325 3.716 ( 0.000 1.491 0.000) 1.491 3.904 ( 0.000 7.312 0.000) 7.312 3.928 ( 0.000 -0.416 0.000) 0.416 4.264 ( 0.000 -1.497 0.000) 1.497 4.381 ( 0.000 -7.021 0.000) 7.021 4.634 ( 0.000 -0.349 0.000) 0.349 4.816 ( 0.000 0.752 0.000) 0.752 4.964 ( 0.000 -5.953 0.000) 5.953 4.966 ( 0.000 3.475 0.000) 3.475 5.307 ( 0.000 -4.522 0.000) 4.522 5.438 ( 0.000 -8.657 0.000) 8.657 5.921 ( 0.000 6.797 0.000) 6.797 6.164 ( 0.000 -1.365 0.000) 1.365 6.682 ( 0.000 9.369 0.000) 9.369 6.724 ( 0.000 6.430 0.000) 6.430 6.895 ( 0.000 6.155 0.000) 6.155 7.063 ( 0.000 -0.255 0.000) 0.255 7.146 ( 0.000 3.026 0.000) 3.026 7.384 ( 0.000 -6.978 0.000) 6.978 7.704 ( 0.000 9.751 0.000) 9.751 7.955 ( 0.000 9.735 0.000) 9.735 8.560 ( 0.000 -4.384 0.000) 4.384 8.829 ( 0.000 -5.398 0.000) 5.398 9.007 ( 0.000 6.562 0.000) 6.562 9.154 ( 0.000 9.416 0.000) 9.416 9.743 ( 0.000 2.698 0.000) 2.698 10.013 ( 0.000 0.804 0.000) 0.804 11.708 ( 0.000 0.824 0.000) 0.824 11.709 ( 0.000 6.111 0.000) 6.111 11.841 ( 0.000 0.541 0.000) 0.541 11.949 ( 0.000 4.337 0.000) 4.337 12.795 ( 0.000 -2.706 0.000) 2.706 13.226 ( 0.000 -18.402 0.000) 18.402 13.398 ( 0.000 -7.272 0.000) 7.272 13.431 ( 0.000 -12.967 0.000) 12.967 14.119 ( 0.000 3.883 0.000) 3.883 14.192 ( 0.000 1.971 0.000) 1.971 14.743 ( 0.000 -8.394 0.000) 8.394 14.844 ( 0.000 -13.128 0.000) 13.128 19.863 ( 0.000 26.620 0.000) 26.620 19.958 ( 0.000 23.413 0.000) 23.413 20.837 ( 0.000 -17.245 0.000) 17.245 20.841 ( 0.000 -19.517 0.000) 19.517 26.681 ( 0.000 12.878 0.000) 12.878 26.871 ( 0.000 7.416 0.000) 7.416 27.421 ( 0.000 10.857 0.000) 10.857 27.530 ( 0.000 -1.792 0.000) 1.792 28.023 ( 0.000 1.841 0.000) 1.841 28.337 ( 0.000 -8.776 0.000) 8.776 28.523 ( 0.000 -1.209 0.000) 1.209 28.703 ( 0.000 -9.072 0.000) 9.072 29.063 ( 0.000 2.853 0.000) 2.853 29.168 ( 0.000 -2.519 0.000) 2.519 29.925 ( 0.000 -3.600 0.000) 3.600 29.988 ( 0.000 -4.895 0.000) 4.895 ======================= Grid point 37 (22/114) ======================= q-point: ( 0.11 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 2.763 7.090 -3.071) 8.205 1.842 ( 5.038 1.158 -1.358) 5.345 2.337 ( 3.172 10.313 -0.567) 10.805 2.636 ( -0.357 -2.196 1.024) 2.449 2.723 ( 0.115 10.919 3.144) 11.363 2.862 ( 2.053 11.321 5.021) 12.553 2.941 ( 4.950 4.155 0.914) 6.527 3.150 ( 1.042 0.392 1.000) 1.497 3.344 ( 0.139 1.978 -0.512) 2.048 3.458 ( 4.670 2.809 -5.026) 7.414 3.658 ( 0.548 3.364 -1.338) 3.661 3.775 ( 4.739 -1.151 -0.210) 4.882 3.945 ( 4.448 3.527 2.114) 6.058 4.009 ( 7.203 -0.371 -2.589) 7.663 4.225 ( -0.804 -2.401 1.036) 2.736 4.471 ( 1.365 -5.004 -1.999) 5.559 4.636 ( 3.814 -2.445 0.878) 4.615 4.751 ( -2.555 -4.296 -2.454) 5.569 4.892 ( 1.118 6.479 0.639) 6.606 5.112 ( 4.845 -1.819 0.859) 5.246 5.325 ( 2.207 -4.400 1.517) 5.151 5.457 ( 1.221 -8.062 1.505) 8.292 5.868 ( -4.857 5.148 -2.123) 7.389 6.074 ( -8.016 -0.851 -1.173) 8.146 6.647 ( -2.510 7.144 2.412) 7.947 6.741 ( -0.527 4.043 2.578) 4.824 6.856 ( -2.712 8.493 -2.113) 9.162 7.003 ( -3.566 0.897 -1.944) 4.159 7.242 ( 6.581 3.987 1.500) 7.839 7.427 ( 3.978 -3.823 0.572) 5.547 7.729 ( 2.328 7.195 -0.883) 7.614 7.966 ( 1.411 9.424 1.698) 9.680 8.538 ( -2.225 -3.789 -3.654) 5.715 8.814 ( -1.734 -6.433 1.437) 6.816 9.006 ( 1.153 9.692 0.688) 9.784 9.214 ( 4.939 5.506 0.211) 7.400 9.747 ( 0.408 3.474 -1.270) 3.721 10.008 ( -0.497 0.826 0.726) 1.206 11.621 ( -5.772 6.224 -0.060) 8.489 11.728 ( -1.451 3.252 3.353) 4.891 11.829 ( -0.514 -0.115 -0.989) 1.121 11.949 ( 0.063 3.717 -0.800) 3.803 12.808 ( 1.364 -2.776 -3.198) 4.449 13.229 ( 0.225 -18.236 -2.413) 18.397 13.362 ( -3.264 -8.233 3.028) 9.360 13.435 ( 0.075 -12.789 0.598) 12.803 14.129 ( 0.988 4.030 -0.165) 4.152 14.212 ( 1.926 2.867 0.371) 3.473 14.730 ( -1.108 -8.655 -0.395) 8.734 14.849 ( 0.301 -12.678 1.058) 12.726 19.843 ( -2.076 26.789 -0.381) 26.872 19.929 ( -2.512 24.498 0.260) 24.627 20.805 ( -2.048 -18.350 -1.076) 18.495 20.854 ( 0.158 -18.865 0.827) 18.884 26.704 ( 2.277 13.344 -0.091) 13.537 26.896 ( 2.335 8.282 0.444) 8.616 27.387 ( -3.297 10.343 -0.370) 10.862 27.496 ( -3.221 -0.316 -0.095) 3.238 28.030 ( 0.679 1.416 0.642) 1.697 28.302 ( -2.696 -6.467 -0.946) 7.070 28.508 ( -1.850 -2.144 1.577) 3.241 28.677 ( -2.010 -9.191 -1.265) 9.493 29.145 ( 6.410 0.442 -0.435) 6.440 29.222 ( 5.919 -2.795 -0.616) 6.574 29.896 ( -1.663 -1.269 1.367) 2.499 30.047 ( 4.488 -7.567 -0.171) 8.800 ======================= Grid point 38 (23/114) ======================= q-point: ( 0.22 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -0.105 7.629 -0.253) 7.634 1.938 ( 3.467 0.048 -2.188) 4.100 2.388 ( 1.780 8.729 -1.209) 8.990 2.660 ( 2.519 -1.865 0.461) 3.168 2.698 ( -3.197 11.760 3.831) 12.775 2.978 ( 8.801 9.929 5.847) 14.499 3.052 ( 6.262 4.015 -1.227) 7.540 3.170 ( 1.568 -0.169 2.982) 3.373 3.332 ( -1.429 4.737 -1.910) 5.303 3.552 ( 5.540 4.645 -6.277) 9.575 3.678 ( 1.413 2.648 -0.829) 3.114 3.844 ( 1.443 -3.212 1.086) 3.685 4.043 ( 2.689 0.619 -0.951) 2.918 4.132 ( 3.173 -2.625 -0.294) 4.129 4.252 ( 5.364 -4.894 -1.857) 7.495 4.422 ( -1.660 -5.427 1.167) 5.794 4.693 ( 0.111 4.345 1.939) 4.759 4.888 ( 10.263 -5.293 -3.291) 12.007 4.971 ( 7.852 2.384 0.133) 8.207 5.181 ( 4.131 0.464 0.445) 4.180 5.390 ( 3.460 -2.975 3.970) 6.048 5.455 ( -1.388 -7.199 0.805) 7.375 5.767 ( -4.292 2.008 -3.875) 6.121 5.922 ( -5.400 -1.352 -1.182) 5.691 6.593 ( -3.324 5.241 2.998) 6.892 6.687 ( -3.962 2.031 1.557) 4.717 6.806 ( -2.964 8.694 -2.354) 9.482 6.944 ( -2.357 0.990 -1.211) 2.829 7.368 ( 5.984 7.965 1.672) 10.101 7.521 ( 5.224 4.279 3.165) 7.458 7.772 ( 2.034 2.625 -3.090) 4.536 8.026 ( 4.501 5.889 2.834) 7.936 8.471 ( -4.405 -2.946 -5.432) 7.589 8.763 ( -3.391 -6.418 2.196) 7.584 9.069 ( 4.998 10.017 0.417) 11.202 9.313 ( 4.835 2.347 0.541) 5.402 9.756 ( 0.502 4.593 -1.724) 4.931 9.993 ( -1.104 0.807 0.819) 1.594 11.500 ( -6.111 9.717 -0.136) 11.480 11.654 ( -5.685 5.658 5.209) 9.564 11.836 ( 1.137 -1.497 -2.620) 3.225 11.949 ( -0.107 2.145 -0.345) 2.175 12.844 ( 2.440 -3.033 -5.948) 7.108 13.220 ( -1.751 -17.283 -1.176) 17.411 13.295 ( -2.753 -8.107 2.338) 8.875 13.434 ( -0.136 -15.025 2.175) 15.182 14.155 ( 1.603 4.797 -0.181) 5.061 14.256 ( 2.268 4.707 0.422) 5.242 14.709 ( -0.783 -9.147 -0.505) 9.195 14.849 ( -0.471 -11.967 1.405) 12.058 19.787 ( -3.232 27.346 -1.017) 27.555 19.881 ( -2.199 26.020 0.787) 26.125 20.764 ( -1.996 -18.796 -1.049) 18.931 20.848 ( -0.739 -19.265 0.739) 19.293 26.762 ( 3.385 14.485 -0.257) 14.878 26.948 ( 2.533 10.719 0.945) 11.055 27.304 ( -4.783 9.329 -0.823) 10.516 27.423 ( -3.846 2.793 0.071) 4.754 28.050 ( 1.259 -0.030 1.097) 1.670 28.257 ( -1.649 -4.627 -1.145) 5.044 28.461 ( -2.525 -3.551 0.962) 4.463 28.628 ( -3.115 -9.539 -0.784) 10.065 29.274 ( 6.965 -0.598 -0.142) 6.992 29.372 ( 8.078 -4.714 -1.536) 9.478 29.875 ( -0.582 0.806 1.090) 1.475 30.137 ( 4.532 -10.447 0.592) 11.403 ======================= Grid point 39 (24/114) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 1.225 6.906 4.400) 8.279 1.966 ( -0.069 -1.618 -2.201) 2.732 2.410 ( 0.621 8.860 -2.621) 9.261 2.593 ( -6.233 12.492 2.279) 14.145 2.735 ( 3.973 -4.809 0.347) 6.247 3.034 ( -2.609 -2.896 -1.554) 4.196 3.228 ( 8.277 9.060 2.923) 12.615 3.257 ( 5.430 9.819 2.426) 11.480 3.329 ( 4.435 4.329 -1.681) 6.422 3.651 ( 2.963 6.287 -4.203) 8.122 3.724 ( 4.644 0.848 -1.265) 4.887 3.848 ( 0.061 -1.177 1.752) 2.112 3.991 ( -4.869 -0.704 0.059) 4.920 4.179 ( 0.733 -1.444 -0.263) 1.640 4.393 ( 4.584 -7.064 -0.574) 8.440 4.434 ( 3.906 -7.743 0.281) 8.677 4.671 ( -0.894 3.431 1.269) 3.766 4.958 ( -1.482 -5.537 -3.123) 6.527 5.128 ( 3.999 0.449 -0.346) 4.039 5.232 ( -1.525 -1.348 2.644) 3.336 5.413 ( 2.589 -0.868 3.861) 4.729 5.484 ( 1.029 -3.575 -1.195) 3.907 5.767 ( 6.323 1.518 -4.911) 8.149 5.922 ( 5.154 -1.208 0.360) 5.306 6.515 ( -4.702 5.373 2.678) 7.625 6.619 ( -2.697 1.205 0.123) 2.956 6.757 ( -1.334 5.741 -2.009) 6.227 6.897 ( -2.501 -1.184 -0.268) 2.780 7.464 ( 3.509 11.921 2.006) 12.588 7.604 ( 2.433 14.857 2.536) 15.267 7.835 ( 5.412 -2.595 -1.803) 6.267 8.111 ( 3.219 1.893 2.411) 4.445 8.374 ( -4.660 -4.398 -5.668) 8.555 8.686 ( -4.599 -7.206 2.682) 8.959 9.188 ( 6.817 10.085 -0.629) 12.189 9.395 ( 3.283 3.576 0.777) 4.916 9.766 ( 0.878 3.542 -1.422) 3.917 9.959 ( -2.661 0.471 0.534) 2.755 11.400 ( -3.919 12.045 -0.340) 12.671 11.540 ( -5.627 9.030 4.136) 11.415 11.862 ( 1.442 -2.587 -2.220) 3.702 11.945 ( -0.274 0.541 0.152) 0.625 12.895 ( 3.093 -3.646 -7.894) 9.229 13.147 ( -4.935 -12.162 5.826) 14.360 13.277 ( 0.238 -11.508 -2.637) 11.808 13.432 ( -0.123 -17.347 2.790) 17.571 14.190 ( 1.895 5.966 -0.226) 6.264 14.287 ( 0.665 6.379 0.364) 6.424 14.706 ( 0.613 -9.677 -0.629) 9.717 14.830 ( -1.456 -11.460 1.315) 11.627 19.733 ( -2.054 27.671 -1.050) 27.767 19.846 ( -1.431 26.617 0.832) 26.669 20.730 ( -1.310 -19.188 -0.814) 19.249 20.830 ( -0.930 -19.401 0.586) 19.432 26.828 ( 3.397 15.618 -0.556) 15.992 26.977 ( 0.065 13.713 1.415) 13.786 27.220 ( -3.374 8.857 -0.846) 9.515 27.361 ( -2.322 5.222 -0.026) 5.715 28.078 ( 1.580 -2.250 1.066) 2.949 28.232 ( -1.129 -4.680 -0.901) 4.897 28.426 ( -0.875 -4.859 0.543) 4.967 28.560 ( -3.640 -8.749 -0.612) 9.496 29.405 ( 5.999 -1.923 0.164) 6.302 29.505 ( 5.366 -4.941 -1.426) 7.432 29.870 ( -0.090 1.930 0.486) 1.993 30.214 ( 3.172 -12.330 0.754) 12.754 ======================= Grid point 40 (25/114) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 2.630 3.389 4.250) 6.039 1.947 ( -1.319 -0.913 -2.058) 2.609 2.401 ( -1.254 12.002 -3.651) 12.607 2.499 ( -2.395 10.268 2.548) 10.847 2.805 ( 2.664 -5.542 0.795) 6.200 2.967 ( -2.857 -7.183 -1.853) 7.949 3.276 ( 0.101 10.860 0.283) 10.864 3.347 ( 3.171 6.306 1.754) 7.273 3.503 ( 8.550 8.822 -0.548) 12.298 3.642 ( -3.248 6.876 -1.062) 7.678 3.799 ( 1.872 -2.862 -0.035) 3.420 3.881 ( -1.093 5.383 0.276) 5.500 3.947 ( 4.678 -0.515 -0.823) 4.778 4.129 ( -5.072 5.346 0.609) 7.395 4.418 ( 0.580 -8.648 0.319) 8.673 4.526 ( 2.643 -8.540 0.162) 8.941 4.710 ( 5.070 -8.168 0.354) 9.620 4.851 ( -8.159 -9.049 -1.800) 12.316 5.126 ( -0.445 5.731 0.368) 5.760 5.238 ( 0.629 -0.956 1.471) 1.864 5.448 ( 0.750 -1.236 0.639) 1.580 5.468 ( -1.335 -1.407 -1.001) 2.182 5.928 ( 6.651 2.455 -2.542) 7.532 6.036 ( 3.838 -0.415 1.196) 4.042 6.435 ( -2.713 6.029 1.065) 6.696 6.583 ( -1.074 -0.387 -0.068) 1.143 6.750 ( 0.266 3.526 -0.824) 3.631 6.857 ( -1.254 -2.228 0.039) 2.557 7.504 ( 0.800 13.911 1.018) 13.971 7.625 ( 0.213 16.944 0.461) 16.952 7.966 ( 6.872 -1.173 -0.392) 6.982 8.112 ( -3.606 2.946 1.732) 4.968 8.325 ( 0.084 -9.174 -3.511) 9.823 8.601 ( -3.310 -8.819 1.797) 9.590 9.313 ( 5.206 10.602 -1.179) 11.870 9.421 ( -0.814 7.495 1.157) 7.627 9.803 ( 2.966 0.738 -1.096) 3.247 9.891 ( -3.909 -0.272 0.609) 3.965 11.351 ( -1.096 12.347 -0.292) 12.399 11.459 ( -2.415 12.119 1.700) 12.474 11.884 ( 0.728 -3.325 -0.971) 3.540 11.940 ( -0.223 -0.288 0.229) 0.430 12.954 ( 2.952 -4.163 -7.180) 8.809 13.060 ( -3.807 -10.315 6.642) 12.846 13.283 ( 0.297 -12.416 -1.477) 12.508 13.431 ( -0.075 -18.425 1.347) 18.474 14.224 ( 1.333 6.937 -0.188) 7.067 14.284 ( -0.602 6.983 0.227) 7.013 14.728 ( 1.234 -9.517 -0.566) 9.613 14.799 ( -1.434 -11.534 0.811) 11.651 19.708 ( -0.569 27.486 -0.446) 27.496 19.827 ( -0.529 26.796 0.360) 26.803 20.713 ( -0.434 -19.378 -0.317) 19.386 20.817 ( -0.409 -19.342 0.235) 19.348 26.892 ( 3.103 16.167 -0.894) 16.486 26.951 ( -2.501 15.247 1.272) 15.503 27.180 ( -0.818 9.102 -0.303) 9.143 27.333 ( -0.646 6.680 -0.076) 6.711 28.107 ( 1.024 -4.301 0.503) 4.450 28.210 ( -0.864 -4.907 -0.395) 4.998 28.429 ( 0.863 -5.726 0.385) 5.804 28.496 ( -2.432 -7.660 -0.459) 8.050 29.490 ( 2.404 -3.220 0.147) 4.021 29.574 ( 1.799 -4.275 -0.560) 4.672 29.869 ( -0.024 2.443 0.085) 2.444 30.257 ( 1.118 -13.171 0.321) 13.222 ======================= Grid point 45 (26/114) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 0.000 -2.356 0.000) 2.356 1.774 ( 0.000 2.356 0.000) 2.356 2.513 ( 0.000 -8.686 0.000) 8.686 2.513 ( 0.000 8.686 0.000) 8.686 2.856 ( 0.000 -3.068 0.000) 3.068 2.856 ( 0.000 3.068 0.000) 3.068 3.101 ( 0.000 -5.661 0.000) 5.661 3.101 ( 0.000 5.661 0.000) 5.661 3.362 ( 0.000 -0.381 0.000) 0.381 3.362 ( 0.000 0.381 0.000) 0.381 3.730 ( 0.000 -1.792 0.000) 1.792 3.730 ( 0.000 1.792 0.000) 1.792 3.968 ( 0.000 -1.256 0.000) 1.256 3.968 ( 0.000 1.256 0.000) 1.256 4.262 ( 0.000 -2.669 0.000) 2.669 4.262 ( 0.000 2.669 0.000) 2.669 4.693 ( 0.000 -6.747 0.000) 6.747 4.693 ( 0.000 6.747 0.000) 6.747 4.984 ( 0.000 -2.663 0.000) 2.663 4.984 ( 0.000 2.663 0.000) 2.663 5.282 ( 0.000 -3.384 0.000) 3.384 5.282 ( 0.000 3.384 0.000) 3.384 6.067 ( 0.000 -6.700 0.000) 6.700 6.067 ( 0.000 6.700 0.000) 6.700 6.788 ( 0.000 -0.753 0.000) 0.753 6.788 ( 0.000 0.753 0.000) 0.753 7.016 ( 0.000 -4.308 0.000) 4.308 7.016 ( 0.000 4.308 0.000) 4.308 7.244 ( 0.000 -6.061 0.000) 6.061 7.244 ( 0.000 6.061 0.000) 6.061 7.947 ( 0.000 -10.156 0.000) 10.156 7.947 ( 0.000 10.156 0.000) 10.156 8.623 ( 0.000 -9.940 0.000) 9.940 8.623 ( 0.000 9.940 0.000) 9.940 9.180 ( 0.000 -6.023 0.000) 6.023 9.180 ( 0.000 6.023 0.000) 6.023 9.915 ( 0.000 -9.780 0.000) 9.780 9.915 ( 0.000 9.780 0.000) 9.780 11.729 ( 0.000 -1.613 0.000) 1.613 11.729 ( 0.000 1.613 0.000) 1.613 11.940 ( 0.000 -5.388 0.000) 5.388 11.940 ( 0.000 5.388 0.000) 5.388 12.871 ( 0.000 -11.024 0.000) 11.024 12.871 ( 0.000 11.024 0.000) 11.024 13.287 ( 0.000 -0.617 0.000) 0.617 13.287 ( 0.000 0.617 0.000) 0.617 14.252 ( 0.000 -1.819 0.000) 1.819 14.252 ( 0.000 1.819 0.000) 1.819 14.640 ( 0.000 -2.563 0.000) 2.563 14.640 ( 0.000 2.563 0.000) 2.563 20.371 ( 0.000 -12.695 0.000) 12.695 20.371 ( 0.000 12.695 0.000) 12.695 20.449 ( 0.000 -10.491 0.000) 10.491 20.449 ( 0.000 10.491 0.000) 10.491 26.887 ( 0.000 -5.674 0.000) 5.674 26.887 ( 0.000 5.674 0.000) 5.674 27.528 ( 0.000 -0.180 0.000) 0.180 27.528 ( 0.000 0.180 0.000) 0.180 28.139 ( 0.000 -8.963 0.000) 8.963 28.139 ( 0.000 8.963 0.000) 8.963 28.554 ( 0.000 -4.406 0.000) 4.406 28.554 ( 0.000 4.406 0.000) 4.406 29.118 ( 0.000 -2.422 0.000) 2.422 29.118 ( 0.000 2.422 0.000) 2.422 29.912 ( 0.000 -1.898 0.000) 1.898 29.912 ( 0.000 1.898 0.000) 1.898 ======================= Grid point 47 (27/114) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 4.049 -2.929 -2.483) 5.580 1.825 ( 4.049 2.929 -2.483) 5.580 2.520 ( 0.725 -7.492 0.432) 7.539 2.520 ( 0.725 7.492 0.432) 7.539 2.891 ( 3.435 -4.628 3.560) 6.774 2.891 ( 3.435 4.628 3.560) 6.774 3.099 ( 0.085 -5.657 0.084) 5.658 3.099 ( 0.085 5.657 0.084) 5.658 3.422 ( 4.789 -4.998 -2.271) 7.285 3.422 ( 4.789 4.998 -2.271) 7.285 3.743 ( 1.075 -3.309 0.185) 3.484 3.743 ( 1.075 3.309 0.185) 3.484 4.009 ( 4.040 -1.890 -0.653) 4.508 4.009 ( 4.040 1.890 -0.653) 4.508 4.286 ( 0.678 -9.596 0.476) 9.631 4.286 ( 0.678 9.596 0.476) 9.631 4.645 ( -0.235 -3.322 -1.501) 3.653 4.645 ( -0.235 3.322 -1.501) 3.653 5.049 ( 4.711 -5.961 -0.055) 7.598 5.049 ( 4.711 5.961 -0.055) 7.598 5.304 ( 1.865 -3.791 2.546) 4.932 5.304 ( 1.865 3.791 2.546) 4.932 5.987 ( -7.346 -5.945 -1.451) 9.560 5.987 ( -7.346 5.945 -1.451) 9.560 6.754 ( -3.261 -2.489 2.589) 4.851 6.754 ( -3.261 2.489 2.589) 4.851 6.986 ( -2.248 -3.041 -1.832) 4.202 6.986 ( -2.248 3.041 -1.832) 4.202 7.333 ( 7.704 -4.488 -0.762) 8.948 7.333 ( 7.704 4.488 -0.762) 8.948 7.949 ( 0.226 -10.244 0.631) 10.266 7.949 ( 0.226 10.244 0.631) 10.266 8.611 ( -1.236 -10.037 -0.104) 10.113 8.611 ( -1.236 10.037 -0.104) 10.113 9.198 ( 1.894 -6.601 -0.077) 6.868 9.198 ( 1.894 6.601 -0.077) 6.868 9.919 ( 0.334 -9.126 0.107) 9.133 9.919 ( 0.334 9.126 0.107) 9.133 11.713 ( -1.514 -4.011 0.567) 4.325 11.713 ( -1.514 4.011 0.567) 4.325 11.924 ( -1.575 -6.286 0.203) 6.484 11.924 ( -1.575 6.286 0.203) 6.484 12.879 ( 0.787 -10.681 -2.609) 11.023 12.879 ( 0.787 10.681 -2.609) 11.023 13.267 ( -1.866 -1.855 1.391) 2.976 13.267 ( -1.866 1.855 1.391) 2.976 14.272 ( 2.033 -3.103 0.220) 3.716 14.272 ( 2.033 3.103 0.220) 3.716 14.636 ( -0.467 -3.988 0.271) 4.024 14.636 ( -0.467 3.988 0.271) 4.024 20.357 ( -1.468 -16.390 -0.394) 16.461 20.357 ( -1.468 16.390 -0.394) 16.461 20.433 ( -1.403 -15.495 0.273) 15.561 20.433 ( -1.403 15.495 0.273) 15.561 26.918 ( 3.051 -5.887 0.042) 6.631 26.918 ( 3.051 5.887 0.042) 6.631 27.500 ( -2.713 -1.782 0.019) 3.246 27.500 ( -2.713 1.782 0.019) 3.246 28.129 ( -0.812 -8.146 -0.091) 8.187 28.129 ( -0.812 8.146 -0.091) 8.187 28.532 ( -2.171 -4.259 0.166) 4.783 28.532 ( -2.171 4.259 0.166) 4.783 29.173 ( 5.147 -1.978 -0.364) 5.526 29.173 ( 5.147 1.978 -0.364) 5.526 29.925 ( 1.258 -3.842 0.248) 4.051 29.925 ( 1.258 3.842 0.248) 4.051 ======================= Grid point 49 (28/114) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( 1.215 -5.264 -1.927) 5.735 1.880 ( 1.215 5.264 -1.927) 5.735 2.546 ( 1.909 -6.820 0.201) 7.085 2.546 ( 1.909 6.820 0.201) 7.085 2.938 ( -1.141 -9.175 2.562) 9.594 2.938 ( -1.141 9.175 2.562) 9.594 3.150 ( 6.749 -1.956 1.695) 7.228 3.150 ( 6.749 1.956 1.695) 7.228 3.507 ( 4.179 -8.920 -3.026) 10.304 3.507 ( 4.179 8.920 -3.026) 10.304 3.762 ( 0.827 -4.980 -0.877) 5.124 3.762 ( 0.827 4.980 -0.877) 5.124 4.101 ( 4.262 -3.566 -0.831) 5.619 4.101 ( 4.262 3.566 -0.831) 5.619 4.243 ( -2.815 -8.099 0.291) 8.580 4.243 ( -2.815 8.099 0.291) 8.580 4.767 ( 9.164 -4.338 0.071) 10.139 4.767 ( 9.164 4.338 0.071) 10.139 5.129 ( 3.025 -8.009 -0.206) 8.563 5.129 ( 3.025 8.009 -0.206) 8.563 5.344 ( 2.537 -1.365 3.612) 4.620 5.344 ( 2.537 1.365 3.612) 4.620 5.840 ( -5.543 -4.682 -2.790) 7.774 5.840 ( -5.543 4.682 -2.790) 7.774 6.682 ( -3.950 -2.576 2.753) 5.460 6.682 ( -3.950 2.576 2.753) 5.460 6.927 ( -3.754 -2.965 -1.903) 5.148 6.927 ( -3.754 2.965 -1.903) 5.148 7.507 ( 9.772 -4.372 -0.824) 10.737 7.507 ( 9.772 4.372 -0.824) 10.737 7.953 ( -0.113 -11.056 0.387) 11.063 7.953 ( -0.113 11.056 0.387) 11.063 8.570 ( -3.193 -10.295 0.622) 10.796 8.570 ( -3.193 10.295 0.622) 10.796 9.257 ( 4.264 -6.825 -0.581) 8.068 9.257 ( 4.264 6.825 -0.581) 8.068 9.921 ( -0.307 -7.798 0.302) 7.810 9.921 ( -0.307 7.798 0.302) 7.810 11.676 ( -2.160 -7.142 0.941) 7.521 11.676 ( -2.160 7.142 0.941) 7.521 11.885 ( -2.133 -7.889 0.202) 8.174 11.885 ( -2.133 7.889 0.202) 8.174 12.895 ( 0.944 -9.383 -4.840) 10.600 12.895 ( 0.944 9.383 -4.840) 10.600 13.224 ( -2.366 -3.543 3.111) 5.275 13.224 ( -2.366 3.543 3.111) 5.275 14.325 ( 3.149 -5.252 0.172) 6.126 14.325 ( 3.149 5.252 0.172) 6.126 14.621 ( -1.131 -6.130 0.479) 6.252 14.621 ( -1.131 6.130 0.479) 6.252 20.316 ( -2.557 -20.788 -0.806) 20.960 20.316 ( -2.557 20.788 -0.806) 20.960 20.406 ( -1.262 -20.643 0.615) 20.691 20.406 ( -1.262 20.643 0.615) 20.691 26.993 ( 4.263 -6.217 0.009) 7.538 26.993 ( 4.263 6.217 0.009) 7.538 27.434 ( -3.748 -3.396 0.152) 5.060 27.434 ( -3.748 3.396 0.152) 5.060 28.114 ( -0.675 -6.692 -0.168) 6.728 28.114 ( -0.675 6.692 -0.168) 6.728 28.478 ( -3.092 -4.544 0.140) 5.498 28.478 ( -3.092 4.544 0.140) 5.498 29.294 ( 6.761 -2.466 -0.457) 7.211 29.294 ( 6.761 2.466 -0.457) 7.211 29.957 ( 1.847 -6.580 0.358) 6.844 29.957 ( 1.847 6.580 0.358) 6.844 ======================= Grid point 51 (29/114) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.315 -5.867 0.345) 5.885 1.883 ( -0.315 5.867 0.345) 5.885 2.588 ( 2.227 -7.872 -0.578) 8.202 2.588 ( 2.227 7.872 -0.578) 8.202 2.856 ( -5.930 -11.382 0.066) 12.834 2.856 ( -5.930 11.382 0.066) 12.834 3.311 ( 7.233 -1.335 2.773) 7.861 3.311 ( 7.233 1.335 2.773) 7.861 3.599 ( 5.503 -11.591 -2.941) 13.163 3.599 ( 5.503 11.591 -2.941) 13.163 3.783 ( 2.045 -4.812 -1.491) 5.437 3.783 ( 2.045 4.812 -1.491) 5.437 4.113 ( -1.984 -8.194 -0.186) 8.433 4.113 ( -1.984 8.194 -0.186) 8.433 4.275 ( 4.867 -1.674 0.898) 5.225 4.275 ( 4.867 1.674 0.898) 5.225 4.822 ( -4.779 -7.699 -0.427) 9.071 4.822 ( -4.779 7.699 -0.427) 9.071 5.165 ( 1.768 -3.668 2.302) 4.677 5.165 ( 1.768 3.668 2.302) 4.677 5.421 ( 3.453 -1.953 0.987) 4.088 5.421 ( 3.453 1.953 0.987) 4.088 5.841 ( 6.117 -4.858 -2.416) 8.176 5.841 ( 6.117 4.858 -2.416) 8.176 6.606 ( -3.922 -2.571 2.189) 5.175 6.606 ( -3.922 2.571 2.189) 5.175 6.852 ( -3.295 -3.287 -1.696) 4.954 6.852 ( -3.295 3.287 -1.696) 4.954 7.695 ( 8.788 -7.870 -0.209) 11.799 7.695 ( 8.788 7.870 -0.209) 11.799 7.944 ( -0.316 -13.583 -0.619) 13.600 7.944 ( -0.316 13.583 -0.619) 13.600 8.485 ( -5.514 -10.655 1.509) 12.092 8.485 ( -5.514 10.655 1.509) 12.092 9.362 ( 6.287 -5.783 -1.034) 8.604 9.362 ( 6.287 5.783 -1.034) 8.604 9.899 ( -2.047 -6.282 0.509) 6.627 9.899 ( -2.047 6.282 0.509) 6.627 11.636 ( -1.845 -8.315 0.901) 8.565 11.636 ( -1.845 8.315 0.901) 8.565 11.849 ( -1.415 -8.086 0.087) 8.209 11.849 ( -1.415 8.086 0.087) 8.209 12.906 ( 0.303 -6.535 -5.205) 8.360 12.906 ( 0.303 6.535 -5.205) 8.360 13.188 ( -1.396 -4.699 3.789) 6.196 13.188 ( -1.396 4.699 3.789) 6.196 14.388 ( 3.159 -6.704 -0.071) 7.411 14.388 ( 3.159 6.704 -0.071) 7.411 14.593 ( -1.734 -7.263 0.558) 7.488 14.593 ( -1.734 7.263 0.558) 7.488 20.267 ( -2.135 -20.062 -0.734) 20.188 20.267 ( -2.135 20.062 -0.734) 20.188 20.387 ( -0.706 -19.793 0.563) 19.813 20.387 ( -0.706 19.793 0.563) 19.813 27.068 ( 3.110 -5.576 -0.103) 6.385 27.068 ( 3.110 5.576 -0.103) 6.385 27.369 ( -2.616 -4.831 0.291) 5.502 27.369 ( -2.616 4.831 0.291) 5.502 28.104 ( -0.395 -5.261 -0.161) 5.278 28.104 ( -0.395 5.261 -0.161) 5.278 28.421 ( -2.515 -3.954 0.049) 4.687 28.421 ( -2.515 3.954 0.049) 4.687 29.415 ( 5.209 -2.771 -0.329) 5.909 29.415 ( 5.209 2.771 -0.329) 5.909 29.992 ( 1.558 -8.712 0.284) 8.855 29.992 ( 1.558 8.712 0.284) 8.855 ======================= Grid point 53 (30/114) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 0.068 -4.552 0.681) 4.603 1.881 ( 0.068 4.552 0.681) 4.603 2.626 ( 1.496 -6.507 -0.586) 6.702 2.626 ( 1.496 6.507 -0.586) 6.702 2.753 ( -3.631 -9.352 -0.145) 10.033 2.753 ( -3.631 9.352 -0.145) 10.033 3.397 ( 1.854 -1.292 1.085) 2.507 3.397 ( 1.854 1.292 1.085) 2.507 3.676 ( 1.715 -4.517 -1.104) 4.956 3.676 ( 1.715 4.517 -1.104) 4.956 3.862 ( 4.883 -6.954 -1.156) 8.576 3.862 ( 4.883 6.955 -1.156) 8.576 4.067 ( -2.345 -9.070 0.534) 9.383 4.067 ( -2.345 9.070 0.534) 9.383 4.371 ( 4.064 -4.692 0.590) 6.235 4.371 ( 4.064 4.692 0.590) 6.235 4.677 ( -6.740 -5.852 -0.411) 8.935 4.677 ( -6.740 5.852 -0.411) 8.935 5.204 ( 1.486 -2.358 1.481) 3.156 5.204 ( 1.486 2.358 1.481) 3.156 5.443 ( -0.215 -0.745 -0.490) 0.917 5.443 ( -0.215 0.745 -0.490) 0.917 5.985 ( 5.427 -3.066 -0.638) 6.266 5.985 ( 5.427 3.066 -0.638) 6.266 6.542 ( -2.150 -3.481 0.821) 4.173 6.542 ( -2.150 3.481 0.821) 4.173 6.811 ( -0.891 -2.282 -0.672) 2.540 6.811 ( -0.891 2.282 -0.672) 2.540 7.802 ( 1.802 -8.703 0.362) 8.894 7.802 ( 1.802 8.703 0.362) 8.894 7.972 ( 2.885 -9.184 -1.112) 9.690 7.972 ( 2.885 9.184 -1.112) 9.690 8.378 ( -4.253 -10.769 1.120) 11.633 8.378 ( -4.253 10.769 1.120) 11.633 9.472 ( 3.861 -3.293 -0.631) 5.113 9.472 ( 3.861 3.293 -0.631) 5.113 9.853 ( -2.007 -3.217 0.369) 3.809 9.853 ( -2.007 3.217 0.369) 3.809 11.611 ( -0.718 -7.704 0.370) 7.746 11.611 ( -0.718 7.704 0.370) 7.746 11.832 ( -0.421 -6.967 0.021) 6.980 11.832 ( -0.421 6.967 0.021) 6.980 12.905 ( -0.080 -2.408 -2.251) 3.297 12.905 ( -0.080 2.408 -2.251) 3.297 13.173 ( -0.323 -4.988 1.713) 5.284 13.173 ( -0.323 4.988 1.713) 5.284 14.439 ( 1.753 -4.753 -0.166) 5.068 14.439 ( 1.753 4.753 -0.166) 5.068 14.560 ( -1.276 -4.765 0.339) 4.944 14.560 ( -1.276 4.765 0.339) 4.944 20.238 ( -0.781 -18.664 -0.285) 18.682 20.238 ( -0.781 18.664 -0.285) 18.682 20.378 ( -0.220 -18.280 0.218) 18.282 20.378 ( -0.220 18.280 0.218) 18.282 27.107 ( 0.903 -2.432 -0.089) 2.596 27.107 ( 0.903 2.432 -0.089) 2.596 27.337 ( -0.690 -5.638 0.172) 5.683 27.337 ( -0.690 5.638 0.172) 5.683 28.098 ( -0.164 -3.923 -0.066) 3.927 28.098 ( -0.164 3.923 -0.066) 3.927 28.387 ( -0.932 -2.043 0.006) 2.246 28.387 ( -0.932 2.043 0.006) 2.246 29.486 ( 1.917 -2.619 -0.114) 3.248 29.486 ( 1.917 2.619 -0.114) 3.248 30.014 ( 0.600 -9.855 0.103) 9.874 30.014 ( 0.600 9.855 0.103) 9.874 ======================= Grid point 99 (31/114) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 12.906 0.000 22.387) 25.840 0.751 ( -4.805 0.000 32.796) 33.147 1.191 ( 0.720 0.000 50.234) 50.239 1.432 ( -0.802 0.000 -14.251) 14.274 1.925 ( 3.049 0.000 -17.263) 17.530 2.261 ( -10.048 0.000 10.714) 14.688 2.569 ( 0.773 0.000 5.644) 5.697 2.845 ( 3.084 0.000 -5.569) 6.366 3.040 ( 0.314 0.000 -1.754) 1.782 3.185 ( 1.868 0.000 -6.380) 6.648 3.387 ( 3.035 0.000 2.293) 3.804 3.780 ( -0.111 0.000 -5.461) 5.462 3.913 ( 7.675 0.000 -4.573) 8.933 4.148 ( 4.797 0.000 -8.993) 10.193 4.224 ( 14.560 0.000 -2.368) 14.751 4.378 ( 1.625 0.000 3.334) 3.709 4.502 ( 3.395 0.000 -1.457) 3.695 4.676 ( -2.660 0.000 4.355) 5.104 4.907 ( -8.579 0.000 -7.515) 11.405 5.066 ( -3.327 0.000 -2.895) 4.411 5.276 ( 3.155 0.000 -2.792) 4.213 5.431 ( 0.623 0.000 5.383) 5.419 5.799 ( -12.282 0.000 -1.227) 12.343 5.938 ( -2.935 0.000 0.090) 2.936 6.160 ( -11.070 0.000 6.452) 12.813 6.671 ( -1.548 0.000 -0.728) 1.711 6.769 ( -2.210 0.000 6.803) 7.153 6.976 ( 1.993 0.000 3.202) 3.772 7.095 ( 11.172 0.000 -1.031) 11.220 7.239 ( 5.661 0.000 -11.364) 12.696 7.769 ( -1.084 0.000 8.201) 8.272 8.099 ( 3.170 0.000 -6.436) 7.174 8.318 ( -0.588 0.000 2.339) 2.412 8.621 ( 11.997 0.000 -0.292) 12.000 8.689 ( -1.481 0.000 3.237) 3.560 8.778 ( 0.533 0.000 -2.288) 2.349 10.330 ( 0.833 0.000 1.557) 1.765 10.446 ( -3.650 0.000 -2.409) 4.373 11.128 ( -0.627 0.000 4.420) 4.465 11.263 ( -4.316 0.000 1.573) 4.593 11.390 ( 2.557 0.000 0.018) 2.558 11.652 ( 1.052 0.000 -4.018) 4.153 13.148 ( -5.105 0.000 -4.660) 6.912 13.374 ( -8.412 0.000 3.341) 9.051 13.465 ( 6.717 0.000 -0.481) 6.735 13.522 ( -0.297 0.000 1.138) 1.176 14.772 ( -0.591 0.000 0.027) 0.592 14.947 ( 1.684 0.000 0.286) 1.709 15.654 ( -3.172 0.000 -0.915) 3.302 15.699 ( -4.581 0.000 0.598) 4.620 18.164 ( 2.352 0.000 -1.391) 2.733 18.250 ( 3.617 0.000 1.466) 3.903 21.655 ( 1.368 0.000 0.574) 1.484 21.699 ( -9.625 0.000 -0.613) 9.644 26.001 ( -2.024 0.000 -0.447) 2.073 26.053 ( -5.719 0.000 0.351) 5.730 26.247 ( -0.274 0.000 -0.030) 0.276 26.253 ( -3.092 0.000 0.045) 3.092 27.981 ( -0.894 0.000 1.120) 1.434 28.044 ( 0.951 0.000 -1.037) 1.407 28.809 ( 1.568 0.000 -0.142) 1.575 29.000 ( -0.423 0.000 0.344) 0.545 29.331 ( 0.864 0.000 0.303) 0.916 29.568 ( -21.233 0.000 -0.950) 21.254 30.884 ( -0.689 0.000 0.878) 1.116 31.805 ( 29.069 0.000 -0.445) 29.073 ======================= Grid point 100 (32/114) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 5.931 0.000 21.810) 22.602 0.868 ( 14.112 0.000 24.075) 27.906 1.356 ( 19.256 0.000 9.211) 21.346 1.682 ( 21.179 0.000 16.752) 27.004 1.980 ( 3.317 0.000 -11.536) 12.004 2.194 ( 0.395 0.000 -1.735) 1.779 2.576 ( 1.706 0.000 6.483) 6.704 2.893 ( 1.136 0.000 -5.760) 5.871 3.081 ( -0.180 0.000 3.351) 3.355 3.210 ( 1.790 0.000 -5.477) 5.762 3.399 ( 1.192 0.000 -2.947) 3.179 3.728 ( -3.142 0.000 -6.694) 7.394 4.029 ( 0.822 0.000 -1.982) 2.146 4.167 ( 4.676 0.000 -6.457) 7.973 4.315 ( -4.263 0.000 -8.071) 9.128 4.388 ( -1.056 0.000 4.013) 4.150 4.592 ( -3.700 0.000 4.949) 6.179 4.751 ( 1.206 0.000 -12.785) 12.842 4.972 ( 11.378 0.000 -8.798) 14.383 5.125 ( 14.634 0.000 -8.118) 16.735 5.324 ( 2.399 0.000 -5.411) 5.919 5.499 ( 4.030 0.000 2.978) 5.011 5.541 ( -6.000 0.000 19.350) 20.258 5.943 ( 2.957 0.000 1.021) 3.128 6.144 ( 5.258 0.000 8.467) 9.967 6.625 ( -3.198 0.000 0.568) 3.248 6.704 ( -4.578 0.000 2.039) 5.011 6.998 ( 0.527 0.000 5.642) 5.666 7.222 ( 1.507 0.000 -7.310) 7.464 7.388 ( 7.759 0.000 -17.210) 18.878 7.758 ( -0.726 0.000 5.741) 5.787 8.089 ( -3.471 0.000 -7.839) 8.573 8.292 ( -1.909 0.000 2.103) 2.840 8.623 ( -2.401 0.000 0.675) 2.494 8.762 ( -2.245 0.000 -3.016) 3.759 8.854 ( 5.878 0.000 -1.279) 6.016 10.336 ( -3.797 0.000 2.218) 4.397 10.360 ( 0.559 0.000 2.926) 2.979 11.062 ( -3.197 0.000 3.283) 4.583 11.201 ( -1.936 0.000 -1.710) 2.583 11.444 ( 2.356 0.000 2.049) 3.123 11.657 ( -1.111 0.000 -3.650) 3.816 12.905 ( -13.424 0.000 14.270) 19.592 13.231 ( -2.382 0.000 -1.160) 2.649 13.509 ( -0.605 0.000 1.029) 1.194 13.583 ( 3.061 0.000 -0.185) 3.067 14.755 ( -0.556 0.000 -0.830) 0.998 14.970 ( 0.200 0.000 -0.209) 0.289 15.471 ( -7.224 0.000 6.959) 10.031 15.674 ( -0.874 0.000 0.594) 1.057 18.198 ( 0.710 0.000 -0.634) 0.952 18.324 ( 2.116 0.000 -3.736) 4.294 21.521 ( -4.624 0.000 4.194) 6.243 21.680 ( 0.464 0.000 1.817) 1.875 25.851 ( -4.879 0.000 4.553) 6.674 26.013 ( -1.779 0.000 0.864) 1.978 26.242 ( 0.443 0.000 -0.222) 0.496 26.274 ( 1.155 0.000 0.502) 1.259 28.007 ( 3.345 0.000 0.907) 3.466 28.147 ( 5.918 0.000 -3.754) 7.008 28.864 ( 2.301 0.000 -0.835) 2.448 29.091 ( 2.371 0.000 1.857) 3.011 29.350 ( 10.003 0.000 -4.481) 10.960 29.456 ( 2.896 0.000 6.547) 7.159 30.743 ( -11.583 0.000 -1.229) 11.648 31.930 ( -8.906 0.000 -2.617) 9.283 ======================= Grid point 101 (33/114) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 4.226 0.000 10.562) 11.376 1.229 ( 20.317 0.000 13.007) 24.124 1.685 ( 8.608 0.000 0.832) 8.648 2.056 ( 3.900 0.000 -14.065) 14.596 2.124 ( 20.358 0.000 26.748) 33.614 2.218 ( 4.560 0.000 -6.633) 8.049 2.668 ( 5.923 0.000 2.971) 6.626 2.876 ( -3.798 0.000 0.319) 3.812 2.989 ( -5.428 0.000 1.751) 5.704 3.286 ( 5.381 0.000 -2.316) 5.858 3.471 ( 4.583 0.000 -6.881) 8.267 3.662 ( -3.357 0.000 -7.692) 8.392 3.898 ( -10.455 0.000 -2.375) 10.722 4.179 ( -7.838 0.000 -6.135) 9.954 4.287 ( 0.891 0.000 4.998) 5.077 4.451 ( 7.995 0.000 -2.425) 8.355 4.618 ( 9.525 0.000 0.795) 9.558 4.824 ( 5.096 0.000 -5.065) 7.185 5.092 ( 4.538 0.000 -4.969) 6.729 5.168 ( -4.125 0.000 3.027) 5.117 5.419 ( -0.565 0.000 2.472) 2.536 5.543 ( 7.544 0.000 2.962) 8.105 5.668 ( 10.230 0.000 6.340) 12.035 6.021 ( 4.109 0.000 -0.004) 4.109 6.313 ( 10.361 0.000 3.020) 10.792 6.554 ( -3.624 0.000 0.290) 3.636 6.624 ( -2.923 0.000 -0.618) 2.988 7.017 ( 1.308 0.000 3.919) 4.132 7.205 ( -2.059 0.000 -5.861) 6.213 7.475 ( 2.158 0.000 -13.378) 13.551 7.726 ( -3.186 0.000 3.220) 4.530 7.967 ( -8.362 0.000 -5.979) 10.280 8.263 ( -0.729 0.000 1.337) 1.523 8.597 ( -0.586 0.000 2.110) 2.190 8.686 ( -3.555 0.000 -0.775) 3.638 8.930 ( 2.690 0.000 1.273) 2.976 10.278 ( -1.911 0.000 1.950) 2.730 10.400 ( 2.361 0.000 1.253) 2.673 11.046 ( 0.928 0.000 -0.584) 1.097 11.161 ( -2.169 0.000 -2.925) 3.642 11.480 ( 0.899 0.000 3.274) 3.395 11.598 ( -4.101 0.000 -3.071) 5.124 12.762 ( -2.874 0.000 12.738) 13.058 13.214 ( -0.034 0.000 -4.628) 4.628 13.497 ( -0.565 0.000 1.130) 1.263 13.619 ( 1.118 0.000 0.626) 1.281 14.747 ( -0.609 0.000 -1.949) 2.042 14.962 ( -0.600 0.000 1.740) 1.840 15.397 ( -1.789 0.000 3.125) 3.601 15.648 ( -1.665 0.000 0.009) 1.665 18.201 ( -0.089 0.000 -0.371) 0.381 18.337 ( -0.114 0.000 -1.539) 1.543 21.485 ( -0.426 0.000 0.919) 1.013 21.675 ( -0.935 0.000 1.661) 1.906 25.798 ( -1.847 0.000 2.311) 2.959 25.959 ( -3.639 0.000 -0.366) 3.657 26.245 ( -0.109 0.000 -0.099) 0.147 26.280 ( -0.372 0.000 0.220) 0.433 28.098 ( 5.493 0.000 0.083) 5.494 28.251 ( 5.254 0.000 -1.211) 5.392 28.880 ( -0.528 0.000 2.499) 2.554 29.080 ( -1.658 0.000 -2.068) 2.651 29.500 ( 2.952 0.000 0.972) 3.108 29.706 ( 20.187 0.000 1.574) 20.249 30.496 ( -12.258 0.000 -5.220) 13.323 31.721 ( -10.367 0.000 2.656) 10.702 ======================= Grid point 102 (34/114) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 11.604 0.000 1.765) 11.738 1.619 ( 18.091 0.000 6.313) 19.160 1.728 ( -1.073 0.000 4.964) 5.079 2.082 ( 0.795 0.000 -10.562) 10.592 2.317 ( 5.695 0.000 -0.676) 5.735 2.473 ( 10.597 0.000 11.112) 15.355 2.672 ( -8.765 0.000 4.794) 9.990 2.792 ( -0.001 0.000 0.960) 0.960 2.966 ( 1.730 0.000 -7.786) 7.976 3.373 ( 0.725 0.000 1.694) 1.843 3.476 ( -4.317 0.000 -12.213) 12.954 3.632 ( 1.385 0.000 -5.095) 5.280 3.739 ( -2.865 0.000 4.038) 4.952 3.990 ( -9.611 0.000 -4.498) 10.611 4.298 ( 0.403 0.000 8.582) 8.591 4.621 ( 6.698 0.000 -3.299) 7.466 4.774 ( 5.212 0.000 6.245) 8.134 4.937 ( 2.239 0.000 -5.680) 6.106 5.138 ( 5.507 0.000 -0.195) 5.511 5.210 ( 6.824 0.000 0.271) 6.830 5.375 ( -2.021 0.000 6.243) 6.562 5.665 ( 4.629 0.000 -0.670) 4.677 5.897 ( 12.145 0.000 5.191) 13.208 6.079 ( 1.970 0.000 0.877) 2.156 6.426 ( -1.352 0.000 -0.430) 1.418 6.548 ( 2.492 0.000 -2.358) 3.431 6.614 ( 3.793 0.000 1.427) 4.052 7.040 ( 0.380 0.000 -0.472) 0.606 7.162 ( -1.776 0.000 -4.481) 4.820 7.472 ( -1.880 0.000 -9.687) 9.868 7.649 ( -3.934 0.000 4.262) 5.800 7.786 ( -9.152 0.000 -3.131) 9.673 8.269 ( 1.260 0.000 0.194) 1.275 8.555 ( -3.557 0.000 -0.093) 3.558 8.688 ( 3.109 0.000 1.297) 3.369 8.965 ( 0.850 0.000 1.559) 1.775 10.254 ( -0.620 0.000 0.853) 1.055 10.443 ( 1.919 0.000 0.615) 2.015 11.076 ( 1.118 0.000 -0.823) 1.388 11.120 ( -1.252 0.000 -3.636) 3.845 11.449 ( -4.013 0.000 0.473) 4.041 11.552 ( -0.086 0.000 0.898) 0.902 12.758 ( 1.191 0.000 9.665) 9.738 13.213 ( 0.008 0.000 -5.428) 5.428 13.490 ( -0.120 0.000 1.153) 1.160 13.634 ( 0.382 0.000 0.083) 0.391 14.726 ( -1.207 0.000 -2.269) 2.570 14.955 ( -0.372 0.000 3.681) 3.700 15.384 ( 0.268 0.000 0.093) 0.284 15.613 ( -1.868 0.000 -0.372) 1.905 18.202 ( 0.367 0.000 -0.286) 0.466 18.325 ( -1.092 0.000 -0.360) 1.150 21.485 ( 0.291 0.000 -0.382) 0.480 21.651 ( -1.400 0.000 1.206) 1.848 25.767 ( -1.364 0.000 1.539) 2.056 25.885 ( -3.556 0.000 -1.166) 3.743 26.240 ( -0.322 0.000 -0.104) 0.339 26.269 ( -0.641 0.000 0.109) 0.650 28.205 ( 5.246 0.000 -0.489) 5.268 28.345 ( 4.031 0.000 0.292) 4.042 28.860 ( -1.328 0.000 2.523) 2.851 29.034 ( -2.656 0.000 -3.413) 4.325 29.530 ( 0.263 0.000 1.870) 1.888 30.089 ( 16.696 0.000 7.744) 18.405 30.304 ( -5.651 0.000 -11.328) 12.659 31.545 ( -8.107 0.000 2.943) 8.624 ======================= Grid point 103 (35/114) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 16.764 0.000 3.986) 17.232 1.686 ( -1.921 0.000 4.608) 4.993 1.916 ( 9.487 0.000 0.390) 9.495 2.104 ( 1.589 0.000 -5.987) 6.194 2.369 ( -3.232 0.000 2.633) 4.169 2.434 ( -6.870 0.000 -0.661) 6.902 2.607 ( 0.082 0.000 8.294) 8.295 2.805 ( -0.060 0.000 -5.383) 5.383 2.995 ( 0.814 0.000 -10.882) 10.912 3.232 ( -8.349 0.000 -8.176) 11.686 3.436 ( -1.240 0.000 -2.495) 2.786 3.666 ( 1.257 0.000 6.593) 6.712 3.795 ( 3.913 0.000 0.706) 3.976 3.830 ( -4.330 0.000 -3.405) 5.508 4.326 ( 2.110 0.000 7.557) 7.847 4.617 ( -4.497 0.000 7.355) 8.621 4.886 ( -0.438 0.000 -4.536) 4.558 4.958 ( 5.893 0.000 2.485) 6.395 5.196 ( 1.325 0.000 2.768) 3.068 5.292 ( 0.048 0.000 5.350) 5.350 5.471 ( 7.600 0.000 0.204) 7.603 5.736 ( 3.712 0.000 -4.797) 6.065 6.070 ( 2.400 0.000 0.307) 2.419 6.137 ( 5.178 0.000 3.269) 6.124 6.382 ( -1.832 0.000 -2.622) 3.199 6.543 ( -0.680 0.000 -0.784) 1.038 6.731 ( 4.945 0.000 2.391) 5.493 7.021 ( -1.774 0.000 -3.772) 4.168 7.121 ( -2.968 0.000 -4.954) 5.775 7.414 ( -2.771 0.000 -5.220) 5.910 7.592 ( -2.831 0.000 2.749) 3.946 7.654 ( -2.637 0.000 -0.802) 2.756 8.307 ( 2.444 0.000 -0.966) 2.628 8.489 ( -2.781 0.000 0.324) 2.800 8.748 ( 1.761 0.000 0.648) 1.876 8.971 ( 0.129 0.000 2.116) 2.120 10.253 ( 0.376 0.000 0.278) 0.468 10.472 ( 0.954 0.000 0.347) 1.016 11.045 ( -2.707 0.000 -2.384) 3.607 11.144 ( 2.177 0.000 -1.681) 2.750 11.379 ( -2.379 0.000 0.285) 2.396 11.560 ( 0.501 0.000 1.628) 1.703 12.796 ( 1.918 0.000 8.592) 8.803 13.209 ( -0.134 0.000 -5.676) 5.677 13.494 ( 0.416 0.000 1.390) 1.451 13.636 ( -0.146 0.000 -0.699) 0.714 14.708 ( -0.364 0.000 -2.672) 2.697 14.941 ( -1.347 0.000 5.129) 5.303 15.405 ( 1.812 0.000 -1.571) 2.398 15.580 ( -1.410 0.000 -0.372) 1.458 18.216 ( 0.919 0.000 0.378) 0.994 18.296 ( -1.775 0.000 -0.573) 1.865 21.495 ( 0.674 0.000 -0.904) 1.128 21.628 ( -0.909 0.000 1.050) 1.388 25.750 ( -0.458 0.000 1.088) 1.181 25.832 ( -1.549 0.000 -1.336) 2.045 26.236 ( -0.051 0.000 -0.263) 0.268 26.258 ( -0.380 0.000 0.256) 0.458 28.294 ( 3.602 0.000 0.299) 3.615 28.391 ( 0.356 0.000 -0.290) 0.459 28.839 ( -0.650 0.000 1.681) 1.802 28.993 ( -0.924 0.000 -3.312) 3.438 29.528 ( -0.003 0.000 2.140) 2.140 30.136 ( -5.461 0.000 1.438) 5.647 30.454 ( 13.703 0.000 -4.949) 14.569 31.400 ( -7.137 0.000 3.368) 7.891 ======================= Grid point 104 (36/114) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -5.068 0.000 -4.000) 6.456 1.712 ( 10.697 0.000 14.334) 17.885 1.938 ( -6.907 0.000 0.412) 6.919 2.134 ( 3.639 0.000 -4.723) 5.963 2.195 ( -7.750 0.000 -4.697) 9.062 2.462 ( 0.030 0.000 8.711) 8.711 2.553 ( -1.934 0.000 -0.478) 1.993 2.749 ( -4.042 0.000 -3.796) 5.545 3.006 ( 1.726 0.000 -9.477) 9.633 3.181 ( 1.828 0.000 -2.844) 3.381 3.391 ( -4.314 0.000 -7.387) 8.554 3.638 ( -1.487 0.000 6.030) 6.211 3.794 ( 0.287 0.000 -2.600) 2.616 3.895 ( 4.348 0.000 -1.458) 4.587 4.376 ( 2.173 0.000 7.279) 7.596 4.526 ( -4.655 0.000 9.670) 10.732 4.838 ( -2.484 0.000 -2.487) 3.515 5.013 ( -1.078 0.000 2.038) 2.305 5.211 ( -0.881 0.000 0.102) 0.887 5.343 ( 5.072 0.000 5.503) 7.483 5.485 ( -4.968 0.000 -1.288) 5.133 5.809 ( 2.051 0.000 -2.147) 2.970 6.052 ( -4.447 0.000 1.912) 4.841 6.142 ( -4.341 0.000 1.768) 4.687 6.380 ( 2.073 0.000 -3.380) 3.966 6.576 ( 3.364 0.000 -0.681) 3.432 6.774 ( -0.314 0.000 4.177) 4.188 6.986 ( -2.089 0.000 -2.871) 3.551 7.042 ( -3.559 0.000 -8.907) 9.592 7.370 ( -1.730 0.000 -3.755) 4.135 7.566 ( 1.355 0.000 0.969) 1.666 7.677 ( 3.648 0.000 0.591) 3.696 8.339 ( 0.042 0.000 -1.219) 1.220 8.471 ( 1.491 0.000 0.606) 1.609 8.732 ( -3.110 0.000 0.779) 3.206 8.983 ( 0.762 0.000 1.998) 2.138 10.265 ( 0.805 0.000 -0.033) 0.805 10.481 ( 0.009 0.000 0.462) 0.462 11.000 ( -1.540 0.000 -1.843) 2.401 11.168 ( 0.264 0.000 -1.766) 1.785 11.369 ( 1.166 0.000 0.244) 1.191 11.570 ( 0.458 0.000 1.411) 1.483 12.834 ( 1.567 0.000 8.862) 8.999 13.207 ( 0.314 0.000 -6.052) 6.061 13.504 ( 0.479 0.000 1.467) 1.543 13.630 ( -0.347 0.000 -0.792) 0.864 14.711 ( 0.737 0.000 -3.076) 3.163 14.911 ( -1.785 0.000 5.284) 5.578 15.447 ( 2.442 0.000 -1.319) 2.776 15.562 ( -0.281 0.000 -0.364) 0.460 18.233 ( 0.666 0.000 1.092) 1.279 18.261 ( -1.696 0.000 -1.277) 2.123 21.511 ( 1.095 0.000 -1.144) 1.583 21.620 ( 0.096 0.000 1.281) 1.285 25.753 ( 0.789 0.000 1.192) 1.429 25.829 ( 1.290 0.000 -1.439) 1.933 26.239 ( 0.395 0.000 -0.393) 0.557 26.254 ( -0.087 0.000 0.386) 0.395 28.320 ( -2.230 0.000 0.554) 2.297 28.369 ( -1.169 0.000 -0.545) 1.290 28.843 ( 0.847 0.000 1.536) 1.754 29.009 ( 2.804 0.000 -3.210) 4.262 29.547 ( 2.107 0.000 2.296) 3.116 30.010 ( -7.730 0.000 0.106) 7.731 30.669 ( 8.393 0.000 -5.357) 9.957 31.270 ( -6.254 0.000 4.992) 8.002 ======================= Grid point 105 (37/114) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -20.429 0.000 -7.918) 21.910 1.709 ( -14.390 0.000 8.655) 16.793 1.846 ( -2.602 0.000 5.973) 6.515 2.054 ( -6.015 0.000 -5.123) 7.901 2.258 ( -8.086 0.000 13.268) 15.538 2.376 ( 9.642 0.000 4.547) 10.660 2.653 ( 6.296 0.000 -0.892) 6.359 2.702 ( 1.372 0.000 -6.100) 6.252 3.031 ( 0.404 0.000 -3.615) 3.637 3.232 ( 2.388 0.000 0.385) 2.418 3.258 ( -7.904 0.000 -10.794) 13.378 3.669 ( 3.092 0.000 5.106) 5.969 3.749 ( -3.554 0.000 -9.804) 10.428 4.004 ( 6.968 0.000 -4.288) 8.182 4.384 ( -2.594 0.000 6.101) 6.629 4.445 ( -4.262 0.000 9.070) 10.021 4.782 ( -4.647 0.000 0.953) 4.744 4.986 ( 0.384 0.000 -2.654) 2.682 5.171 ( -3.204 0.000 -3.075) 4.441 5.325 ( -7.905 0.000 -0.624) 7.930 5.428 ( 0.084 0.000 3.163) 3.164 5.764 ( -6.755 0.000 0.824) 6.805 5.894 ( -8.966 0.000 7.868) 11.928 6.084 ( -2.134 0.000 0.275) 2.152 6.431 ( 2.696 0.000 -0.958) 2.861 6.602 ( -1.046 0.000 -0.611) 1.211 6.770 ( 0.699 0.000 4.322) 4.378 6.914 ( -3.750 0.000 -1.823) 4.170 7.024 ( 1.097 0.000 -11.186) 11.240 7.340 ( -1.448 0.000 -6.250) 6.416 7.650 ( 6.690 0.000 0.918) 6.753 7.764 ( 4.517 0.000 0.006) 4.517 8.319 ( -1.292 0.000 0.162) 1.303 8.524 ( 2.434 0.000 -0.042) 2.434 8.660 ( -3.164 0.000 1.286) 3.415 8.980 ( -1.590 0.000 1.519) 2.199 10.282 ( 0.827 0.000 -0.088) 0.832 10.476 ( -0.401 0.000 0.776) 0.873 10.988 ( 0.400 0.000 -0.565) 0.692 11.171 ( 0.676 0.000 -2.411) 2.504 11.401 ( 1.425 0.000 0.258) 1.448 11.583 ( 1.000 0.000 0.420) 1.084 12.868 ( 1.797 0.000 9.894) 10.056 13.219 ( 1.210 0.000 -6.386) 6.500 13.511 ( 0.129 0.000 1.194) 1.201 13.621 ( -0.649 0.000 0.126) 0.661 14.730 ( 1.213 0.000 -3.112) 3.340 14.886 ( -0.740 0.000 4.303) 4.366 15.494 ( 2.339 0.000 1.050) 2.563 15.571 ( 1.282 0.000 -1.067) 1.668 18.227 ( -1.078 0.000 -2.167) 2.420 18.243 ( -0.297 0.000 1.637) 1.664 21.537 ( 1.639 0.000 -1.250) 2.061 21.634 ( 1.215 0.000 1.984) 2.326 25.786 ( 2.674 0.000 1.944) 3.306 25.875 ( 3.302 0.000 -1.589) 3.664 26.249 ( 0.503 0.000 -0.461) 0.683 26.256 ( 0.389 0.000 0.467) 0.608 28.227 ( -5.914 0.000 -0.585) 5.943 28.341 ( -2.514 0.000 0.354) 2.539 28.862 ( 0.807 0.000 1.860) 2.027 29.090 ( 5.200 0.000 -2.877) 5.943 29.599 ( 0.873 0.000 1.864) 2.059 29.849 ( -6.381 0.000 1.807) 6.632 30.770 ( 2.142 0.000 -13.043) 13.218 31.174 ( -3.391 0.000 10.773) 11.295 ======================= Grid point 106 (38/114) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -18.161 0.000 -1.175) 18.199 1.371 ( -19.955 0.000 17.048) 26.246 1.679 ( -15.030 0.000 0.857) 15.055 1.951 ( -4.785 0.000 -6.734) 8.261 1.970 ( -17.345 0.000 20.488) 26.844 2.540 ( 3.058 0.000 7.429) 8.034 2.704 ( 0.239 0.000 -8.679) 8.682 2.868 ( 7.005 0.000 -0.741) 7.044 3.006 ( -1.400 0.000 4.364) 4.583 3.103 ( -2.937 0.000 -11.196) 11.575 3.266 ( -0.049 0.000 0.360) 0.363 3.695 ( -0.518 0.000 -16.138) 16.146 3.744 ( 4.086 0.000 1.837) 4.480 4.149 ( 7.592 0.000 -5.019) 9.101 4.262 ( -9.009 0.000 2.586) 9.373 4.374 ( -3.495 0.000 7.062) 7.880 4.643 ( -8.795 0.000 0.017) 8.795 5.016 ( -1.812 0.000 -1.324) 2.244 5.078 ( -2.289 0.000 -2.275) 3.227 5.224 ( -2.624 0.000 0.683) 2.712 5.324 ( -11.354 0.000 -4.792) 12.324 5.596 ( -8.186 0.000 3.048) 8.735 5.804 ( 0.492 0.000 9.020) 9.034 6.031 ( -3.568 0.000 0.618) 3.621 6.448 ( -1.915 0.000 1.691) 2.555 6.601 ( 2.509 0.000 0.995) 2.699 6.806 ( 2.572 0.000 3.111) 4.037 6.872 ( -0.388 0.000 0.984) 1.058 7.053 ( 2.121 0.000 -13.263) 13.431 7.287 ( -4.406 0.000 -10.191) 11.103 7.787 ( 4.843 0.000 0.884) 4.923 7.840 ( 4.819 0.000 -0.450) 4.840 8.304 ( -0.185 0.000 1.336) 1.349 8.514 ( -2.621 0.000 2.298) 3.486 8.658 ( 2.224 0.000 -0.244) 2.237 8.919 ( -4.571 0.000 1.569) 4.833 10.298 ( 0.842 0.000 0.125) 0.852 10.470 ( -0.148 0.000 0.455) 0.478 11.015 ( 2.419 0.000 1.801) 3.016 11.203 ( 2.742 0.000 -2.400) 3.644 11.411 ( -0.384 0.000 1.378) 1.431 11.608 ( 1.443 0.000 -2.211) 2.640 12.929 ( 4.685 0.000 10.981) 11.939 13.245 ( 1.566 0.000 -5.942) 6.144 13.513 ( 0.119 0.000 1.141) 1.147 13.599 ( -1.736 0.000 1.083) 2.046 14.753 ( 1.165 0.000 -2.588) 2.838 14.889 ( 0.836 0.000 2.912) 3.030 15.547 ( 3.338 0.000 3.639) 4.938 15.607 ( 2.319 0.000 -1.162) 2.594 18.208 ( -0.951 0.000 -2.691) 2.854 18.230 ( -0.985 0.000 1.609) 1.887 21.574 ( 2.193 0.000 -1.443) 2.625 21.671 ( 2.606 0.000 3.208) 4.133 25.860 ( 4.846 0.000 2.503) 5.454 25.947 ( 3.916 0.000 -0.973) 4.035 26.253 ( -0.069 0.000 -0.233) 0.243 26.274 ( 1.335 0.000 0.342) 1.378 28.115 ( -5.230 0.000 0.167) 5.233 28.268 ( -4.935 0.000 -1.478) 5.152 28.868 ( -0.427 0.000 1.533) 1.591 29.190 ( 4.841 0.000 -1.577) 5.091 29.442 ( -14.470 0.000 0.419) 14.476 29.919 ( 11.089 0.000 2.171) 11.300 30.730 ( -5.244 0.000 -21.965) 22.583 31.165 ( 1.858 0.000 20.390) 20.475 ======================= Grid point 107 (39/114) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -10.832 0.000 15.663) 19.044 0.991 ( -18.640 0.000 26.148) 32.111 1.306 ( -17.848 0.000 20.520) 27.196 1.644 ( -15.648 0.000 10.595) 18.897 1.903 ( -0.405 0.000 -17.391) 17.396 2.517 ( -9.701 0.000 13.994) 17.028 2.582 ( -6.933 0.000 2.350) 7.321 2.824 ( -0.593 0.000 -6.680) 6.707 3.065 ( 1.411 0.000 -14.627) 14.695 3.195 ( -1.780 0.000 -1.801) 2.532 3.245 ( 8.036 0.000 6.382) 10.262 3.704 ( 2.792 0.000 -8.843) 9.273 3.830 ( 3.443 0.000 -3.302) 4.770 4.100 ( -6.092 0.000 3.038) 6.808 4.248 ( -0.135 0.000 -7.979) 7.980 4.330 ( 0.926 0.000 2.587) 2.748 4.496 ( -4.162 0.000 0.587) 4.204 4.859 ( -12.067 0.000 3.011) 12.437 5.053 ( -7.047 0.000 -1.880) 7.293 5.111 ( -1.825 0.000 -7.654) 7.869 5.225 ( 1.329 0.000 -0.608) 1.461 5.476 ( -4.629 0.000 3.949) 6.084 5.878 ( 3.081 0.000 1.551) 3.450 5.958 ( -2.460 0.000 1.164) 2.721 6.388 ( -4.616 0.000 -2.179) 5.105 6.664 ( 2.578 0.000 -0.021) 2.579 6.837 ( -1.398 0.000 5.360) 5.540 6.910 ( 4.134 0.000 0.248) 4.141 7.041 ( -5.736 0.000 -12.184) 13.466 7.181 ( -1.149 0.000 -6.510) 6.610 7.796 ( -1.645 0.000 4.949) 5.215 7.982 ( 7.791 0.000 -1.806) 7.997 8.312 ( 0.724 0.000 2.670) 2.767 8.486 ( 0.929 0.000 3.776) 3.888 8.699 ( 1.391 0.000 0.939) 1.678 8.821 ( -4.750 0.000 0.503) 4.777 10.314 ( 0.799 0.000 0.753) 1.098 10.471 ( 0.088 0.000 -1.673) 1.675 11.080 ( 3.797 0.000 4.235) 5.688 11.264 ( 2.985 0.000 0.410) 3.013 11.392 ( -1.482 0.000 0.907) 1.738 11.632 ( 1.161 0.000 -4.441) 4.591 13.081 ( 10.061 0.000 6.729) 12.103 13.273 ( 2.350 0.000 -1.831) 2.979 13.515 ( -0.343 0.000 0.855) 0.921 13.553 ( -3.102 0.000 0.641) 3.168 14.769 ( 0.589 0.000 -0.884) 1.062 14.916 ( 1.593 0.000 1.310) 2.063 15.628 ( 3.693 0.000 0.162) 3.697 15.666 ( 4.609 0.000 2.945) 5.470 18.175 ( -2.323 0.000 -1.911) 3.008 18.221 ( 0.147 0.000 1.641) 1.648 21.617 ( 2.184 0.000 -0.998) 2.401 21.737 ( 3.386 0.000 1.763) 3.818 25.961 ( 4.418 0.000 0.148) 4.421 26.027 ( 4.547 0.000 1.187) 4.700 26.248 ( -0.308 0.000 -0.279) 0.416 26.305 ( 1.256 0.000 -0.341) 1.302 28.031 ( -3.496 0.000 1.400) 3.766 28.149 ( -7.252 0.000 -5.029) 8.825 28.839 ( -2.592 0.000 -0.135) 2.596 29.149 ( -12.882 0.000 1.632) 12.985 29.279 ( 3.456 0.000 -1.704) 3.854 30.028 ( -10.843 0.000 -22.690) 25.148 30.701 ( 11.067 0.000 0.002) 11.067 31.279 ( 11.805 0.000 27.111) 29.570 ======================= Grid point 108 (40/114) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 8.939 18.748 10.515) 23.279 0.857 ( 8.183 14.159 21.632) 27.118 1.462 ( 1.092 4.719 -10.486) 11.551 1.698 ( -8.960 32.702 32.859) 47.217 2.005 ( -1.141 6.666 -15.352) 16.776 2.306 ( -2.958 7.137 10.310) 12.884 2.679 ( 0.533 4.160 -2.419) 4.842 2.908 ( 0.741 4.091 -5.609) 6.982 3.124 ( 0.620 4.889 -6.178) 7.903 3.220 ( 3.784 0.439 -3.638) 5.268 3.444 ( 2.134 7.206 5.051) 9.055 3.784 ( -1.521 3.296 -6.207) 7.191 3.873 ( 4.318 -0.251 -3.193) 5.376 4.041 ( 2.765 -5.219 -3.970) 7.116 4.230 ( 1.343 -1.093 2.044) 2.679 4.382 ( 3.217 0.443 3.539) 4.803 4.569 ( 0.564 2.833 -3.871) 4.830 4.628 ( -1.181 -2.116 3.237) 4.044 4.876 ( -3.550 0.544 -4.200) 5.527 5.140 ( 1.120 0.856 -1.295) 1.914 5.282 ( -1.612 -0.657 -1.582) 2.352 5.497 ( 0.009 -0.739 2.214) 2.334 5.607 ( -7.348 0.583 0.365) 7.380 5.924 ( -0.267 -2.183 0.745) 2.322 6.247 ( -3.972 2.098 -6.063) 7.545 6.683 ( -3.740 -0.643 3.015) 4.847 6.786 ( -0.580 1.197 1.989) 2.393 6.959 ( -0.154 -0.853 2.205) 2.369 7.075 ( 10.834 -0.252 -0.711) 10.861 7.233 ( 3.821 0.925 -10.434) 11.150 7.743 ( -0.610 -1.564 7.806) 7.984 7.992 ( 3.376 -8.775 0.111) 9.403 8.391 ( 3.449 1.267 0.759) 3.752 8.483 ( -1.856 5.804 0.622) 6.126 8.726 ( -2.084 3.916 1.610) 4.719 9.022 ( -0.509 8.082 7.401) 10.970 10.170 ( 0.385 -12.693 -0.555) 12.711 10.231 ( -0.755 -10.222 1.368) 10.341 11.218 ( 1.577 5.854 -1.606) 6.272 11.470 ( -4.055 10.362 1.266) 11.199 11.533 ( -1.442 9.559 0.647) 9.688 11.680 ( 2.339 2.426 -3.113) 4.588 12.884 ( -1.119 -2.435 7.533) 7.996 13.213 ( 0.914 -4.980 -5.375) 7.384 13.464 ( -2.466 -1.267 4.844) 5.581 14.030 ( 0.912 8.457 -18.131) 20.027 14.888 ( 1.986 4.561 -5.398) 7.341 14.984 ( 1.192 2.698 -2.544) 3.895 15.459 ( -2.140 -18.903 2.484) 19.185 15.517 ( -1.690 -12.167 -1.654) 12.395 18.299 ( -0.879 13.612 -1.836) 13.763 18.496 ( 2.630 18.011 -4.812) 18.827 21.588 ( -5.473 -6.955 4.431) 9.898 21.621 ( 1.186 -4.267 0.983) 4.537 25.955 ( -1.922 3.968 4.341) 6.187 26.097 ( 1.075 6.369 -1.838) 6.715 26.429 ( 0.914 15.952 4.271) 16.539 27.022 ( -5.827 38.370 -34.157) 51.700 27.997 ( -2.296 2.010 -1.798) 3.542 28.036 ( 2.126 -0.628 -1.084) 2.468 28.819 ( 1.276 0.828 -0.152) 1.529 28.996 ( -0.300 -0.576 0.415) 0.771 29.319 ( 0.527 -1.403 0.622) 1.623 29.462 ( -17.709 -9.444 3.545) 20.380 30.683 ( 6.530 -17.442 2.176) 18.751 31.161 ( 14.513 -36.569 27.129) 47.790 ======================= Grid point 109 (41/114) ======================= q-point: ( 0.11 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 13.372 18.423 7.908) 24.099 1.135 ( 12.006 15.364 17.849) 26.435 1.473 ( 6.051 8.865 -2.364) 10.990 1.798 ( 14.815 8.709 15.594) 23.206 2.047 ( 6.788 10.492 -7.485) 14.566 2.326 ( 2.635 11.378 4.327) 12.455 2.680 ( 0.366 4.474 1.524) 4.741 2.907 ( -0.657 1.632 -5.516) 5.789 3.186 ( 3.487 9.230 -0.022) 9.867 3.271 ( 2.948 0.517 -4.798) 5.655 3.436 ( -1.399 7.446 2.750) 8.060 3.745 ( -2.593 3.590 -8.306) 9.413 3.974 ( 3.372 -3.592 -1.199) 5.070 4.105 ( 5.602 -3.942 -5.825) 8.992 4.268 ( -0.409 -0.340 2.297) 2.358 4.446 ( 0.178 0.225 -0.976) 1.017 4.534 ( -0.783 -6.772 0.975) 6.887 4.723 ( 3.235 4.075 1.367) 5.379 4.900 ( 10.263 -3.031 -6.798) 12.678 5.182 ( -0.803 -3.265 1.194) 3.568 5.237 ( 3.230 -3.339 -4.634) 6.562 5.491 ( 0.192 0.568 1.639) 1.745 5.589 ( 3.563 6.444 0.680) 7.395 5.955 ( 3.039 -0.193 0.831) 3.156 6.173 ( -0.936 -0.247 3.598) 3.726 6.613 ( -3.472 0.096 1.324) 3.717 6.740 ( -4.421 2.333 1.387) 5.188 6.964 ( 1.209 -3.209 4.225) 5.441 7.232 ( 1.447 1.215 -7.423) 7.659 7.339 ( 7.876 -2.421 -12.619) 15.071 7.718 ( -1.594 -1.778 6.027) 6.483 8.049 ( 1.331 -6.283 -2.362) 6.843 8.387 ( -2.909 5.718 1.724) 6.643 8.529 ( 4.273 -0.906 -1.566) 4.640 8.715 ( 0.545 2.001 2.733) 3.431 8.990 ( -2.245 6.476 7.165) 9.916 10.177 ( 0.298 -11.095 -1.081) 11.152 10.227 ( 0.474 -9.532 1.765) 9.706 11.194 ( -4.633 6.769 -1.297) 8.304 11.327 ( -6.064 9.420 1.412) 11.292 11.527 ( -0.021 6.626 1.761) 6.856 11.704 ( -0.554 4.000 -2.459) 4.728 12.848 ( -2.466 2.636 7.534) 8.354 13.220 ( 0.446 -1.283 -6.221) 6.367 13.433 ( -1.068 -4.919 4.179) 6.543 13.946 ( -6.669 12.319 -10.056) 17.244 14.883 ( -1.863 7.007 -3.435) 8.023 14.996 ( 0.024 1.991 -3.196) 3.766 15.340 ( -6.782 -11.179 6.643) 14.666 15.490 ( -0.987 -16.047 -0.375) 16.082 18.277 ( -0.636 10.715 -0.516) 10.746 18.498 ( -1.660 14.385 -3.217) 14.834 21.485 ( -3.595 -3.655 3.776) 6.367 21.640 ( 0.308 -4.142 1.685) 4.482 25.915 ( -1.919 6.771 3.339) 7.789 26.099 ( -1.147 6.342 -1.217) 6.559 26.423 ( -1.704 15.846 3.503) 16.318 26.726 ( -13.957 32.345 -12.685) 37.442 27.995 ( 2.998 -0.777 0.472) 3.132 28.156 ( 5.798 0.802 -4.340) 7.286 28.848 ( 0.749 -1.613 0.215) 1.791 29.075 ( 2.175 -1.618 1.825) 3.268 29.307 ( 8.507 -3.708 -2.507) 9.612 29.436 ( 5.446 -2.006 4.849) 7.562 30.600 ( -10.153 -12.596 -2.440) 16.362 31.422 ( 6.389 -36.349 11.715) 38.721 ======================= Grid point 110 (42/114) ======================= q-point: ( 0.22 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 2.388 21.523 8.167) 23.144 1.360 ( 14.776 9.246 10.477) 20.337 1.684 ( 9.085 1.206 -2.764) 9.572 2.059 ( 9.458 0.870 -3.198) 10.022 2.262 ( 10.599 10.370 2.846) 15.099 2.402 ( 8.120 16.250 5.831) 19.079 2.727 ( 4.282 0.696 2.298) 4.910 2.873 ( -2.689 2.737 -1.635) 4.170 3.144 ( -6.159 13.432 1.191) 14.825 3.366 ( 5.215 2.568 -0.391) 5.826 3.477 ( 4.835 2.723 -3.704) 6.672 3.681 ( -3.215 4.845 -8.689) 10.455 3.933 ( -6.578 2.460 -0.928) 7.085 4.175 ( -4.071 -1.643 -3.528) 5.632 4.274 ( 1.616 2.113 4.928) 5.600 4.449 ( 6.171 0.706 -4.199) 7.498 4.579 ( 5.048 -5.159 2.935) 7.792 4.799 ( 6.259 0.633 -3.224) 7.069 5.039 ( 0.766 -5.154 -1.961) 5.568 5.183 ( 3.590 0.769 4.511) 5.817 5.404 ( 10.905 -6.246 -6.323) 14.068 5.499 ( -0.649 2.440 3.168) 4.051 5.672 ( 5.115 0.459 1.660) 5.397 6.024 ( 3.913 0.006 0.701) 3.976 6.238 ( 6.005 -6.500 4.642) 9.993 6.558 ( -1.662 1.363 -0.381) 2.183 6.653 ( -3.578 1.911 -0.470) 4.083 6.998 ( 1.642 -2.805 3.586) 4.840 7.203 ( -2.929 0.206 -6.627) 7.248 7.428 ( 1.591 -2.555 -9.295) 9.770 7.696 ( -0.932 -0.683 3.586) 3.768 8.028 ( -3.328 1.625 -3.276) 4.945 8.336 ( -1.945 5.858 1.474) 6.346 8.576 ( 1.051 0.268 -1.996) 2.271 8.714 ( -0.979 2.680 3.179) 4.272 8.978 ( 0.821 4.658 3.460) 5.860 10.177 ( -0.268 -8.656 -0.964) 8.714 10.252 ( 1.754 -10.992 1.419) 11.221 11.096 ( -3.536 3.590 2.193) 5.495 11.252 ( -3.190 7.246 -3.113) 8.507 11.533 ( 0.317 5.051 2.519) 5.653 11.659 ( -3.180 5.122 -1.972) 6.343 12.819 ( -0.429 6.202 7.040) 9.392 13.228 ( 0.355 1.610 -6.136) 6.354 13.420 ( -0.477 -7.208 2.585) 7.672 13.832 ( -4.198 12.222 -2.616) 13.185 14.841 ( -2.102 6.587 -1.721) 7.125 14.987 ( -0.534 2.413 -0.150) 2.476 15.257 ( -2.341 -12.434 3.955) 13.256 15.468 ( -1.287 -16.378 -0.495) 16.436 18.279 ( 0.685 8.564 -0.123) 8.592 18.458 ( -2.000 11.863 -1.045) 12.076 21.448 ( -0.809 -3.675 1.001) 3.894 21.633 ( -0.979 -4.249 1.585) 4.639 25.885 ( -1.449 8.007 2.187) 8.426 26.051 ( -3.403 7.857 -1.060) 8.628 26.387 ( -1.495 13.505 1.047) 13.628 26.537 ( -6.502 20.883 -2.479) 22.012 28.085 ( 5.565 -1.034 -0.073) 5.660 28.253 ( 4.754 0.127 -1.404) 4.959 28.845 ( -0.854 -3.283 2.511) 4.220 29.064 ( -2.051 -1.607 -1.705) 3.114 29.477 ( 4.844 -2.151 0.538) 5.327 29.663 ( 17.540 -3.952 2.403) 18.140 30.384 ( -10.407 -9.965 -6.081) 15.639 31.445 ( -2.516 -22.937 5.419) 23.702 ======================= Grid point 111 (43/114) ======================= q-point: ( 0.33 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 7.887 16.563 5.035) 19.023 1.631 ( 10.507 1.881 3.132) 11.124 1.790 ( 3.976 4.845 1.512) 6.447 2.168 ( 2.795 5.750 -3.676) 7.375 2.374 ( 2.946 4.734 -0.180) 5.579 2.610 ( 8.264 12.436 6.374) 16.235 2.775 ( -3.528 3.809 6.054) 7.975 2.864 ( 4.990 5.635 -1.580) 7.690 3.021 ( -4.912 9.206 -7.233) 12.697 3.422 ( -1.411 0.154 2.907) 3.235 3.543 ( 0.906 7.287 -10.286) 12.638 3.652 ( 1.700 3.881 -3.955) 5.796 3.779 ( -6.487 6.159 0.863) 8.986 4.042 ( -6.545 3.082 -2.607) 7.690 4.301 ( 0.762 2.075 6.899) 7.245 4.588 ( 4.273 -2.170 0.102) 4.794 4.700 ( 7.223 -4.449 1.281) 8.580 4.928 ( 2.580 -1.524 -3.095) 4.308 5.088 ( 9.024 -4.859 -1.717) 10.391 5.254 ( 2.872 3.525 4.076) 6.106 5.447 ( -2.605 4.993 3.778) 6.781 5.587 ( 5.778 -5.604 -2.636) 8.470 5.819 ( 9.874 -6.557 2.465) 12.106 6.088 ( 1.969 -0.248 1.728) 2.632 6.335 ( 2.901 -6.258 1.073) 6.981 6.556 ( -0.778 -0.205 -2.564) 2.687 6.628 ( 2.878 1.438 1.098) 3.399 7.018 ( -0.023 -3.127 0.374) 3.149 7.138 ( -2.880 -0.956 -6.035) 6.755 7.420 ( -1.376 -1.830 -3.836) 4.467 7.688 ( 0.074 3.513 2.880) 4.543 7.921 ( -7.091 8.077 -2.944) 11.144 8.322 ( 0.499 4.857 0.491) 4.907 8.560 ( -2.711 0.281 -1.708) 3.216 8.725 ( 2.541 4.285 1.847) 5.313 8.998 ( 0.684 3.260 1.933) 3.851 10.168 ( -0.504 -7.802 -0.635) 7.844 10.288 ( 1.750 -11.786 1.169) 11.972 11.067 ( -0.027 -0.334 2.180) 2.206 11.179 ( -3.962 4.478 -4.194) 7.303 11.528 ( -1.029 6.848 1.000) 6.997 11.616 ( -0.639 5.648 -0.220) 5.688 12.834 ( 1.310 6.892 6.468) 9.542 13.221 ( -0.858 1.827 -4.389) 4.831 13.419 ( 0.323 -7.303 0.408) 7.321 13.778 ( -1.612 9.956 -0.419) 10.094 14.801 ( -1.843 5.487 -1.500) 5.980 14.978 ( -0.692 2.286 2.782) 3.667 15.238 ( 0.180 -13.491 0.287) 13.495 15.441 ( -1.388 -15.724 -0.572) 15.795 18.299 ( 1.231 8.907 -0.369) 8.999 18.422 ( -1.778 10.427 0.003) 10.578 21.442 ( 0.036 -4.201 -0.311) 4.213 21.609 ( -1.419 -4.261 1.196) 4.648 25.860 ( -1.112 8.607 1.424) 8.795 25.981 ( -3.384 8.885 -1.164) 9.579 26.370 ( -0.398 11.420 0.239) 11.429 26.440 ( -3.709 15.290 -0.464) 15.741 28.193 ( 5.348 -0.987 -0.581) 5.469 28.337 ( 3.542 -0.748 0.238) 3.628 28.826 ( -1.117 -3.273 2.176) 4.086 29.007 ( -3.327 -2.646 -2.794) 5.087 29.526 ( 0.784 -0.278 1.728) 1.918 30.004 ( 14.602 -7.769 7.919) 18.338 30.231 ( -3.539 -6.587 -11.661) 13.853 31.371 ( -4.720 -15.299 3.442) 16.376 ======================= Grid point 112 (44/114) ======================= q-point: ( 0.44 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 13.239 10.496 6.341) 18.046 1.721 ( 0.397 2.988 1.018) 3.181 1.898 ( 5.128 1.658 0.306) 5.399 2.179 ( -2.187 3.948 -0.585) 4.551 2.387 ( -0.869 2.688 3.375) 4.401 2.646 ( -6.519 12.247 4.118) 14.472 2.721 ( 1.098 12.851 0.664) 12.915 2.895 ( -2.138 8.512 -7.180) 11.339 3.015 ( 2.532 0.584 -7.664) 8.093 3.325 ( -4.851 5.142 -3.171) 7.748 3.514 ( -1.442 7.381 -5.725) 9.451 3.692 ( 0.214 1.155 1.957) 2.283 3.765 ( 3.315 6.316 1.681) 7.328 3.952 ( -2.075 7.426 -4.559) 8.957 4.324 ( 1.587 0.706 7.235) 7.440 4.593 ( -2.199 -1.044 5.745) 6.239 4.823 ( 1.425 -4.624 -1.382) 5.032 4.953 ( 4.170 -1.473 -0.057) 4.423 5.231 ( 2.094 -0.085 2.254) 3.077 5.311 ( 1.953 1.537 4.521) 5.159 5.452 ( 3.738 0.265 2.141) 4.316 5.652 ( 1.935 -5.979 -5.034) 8.052 5.998 ( 5.557 -7.839 0.842) 9.646 6.105 ( 1.034 -2.495 2.945) 3.996 6.360 ( -0.360 -1.301 -1.629) 2.115 6.504 ( -2.198 -2.637 -0.691) 3.502 6.733 ( 5.213 0.037 1.178) 5.344 6.984 ( -2.948 -3.375 -2.292) 5.033 7.100 ( -1.336 -0.958 -5.904) 6.129 7.390 ( -1.560 -0.503 -0.585) 1.740 7.695 ( -0.240 7.196 2.010) 7.475 7.791 ( -4.285 10.242 -2.196) 11.317 8.355 ( 2.719 4.633 -1.008) 5.465 8.496 ( -3.101 0.607 -0.307) 3.175 8.781 ( 2.035 3.726 0.371) 4.262 9.004 ( 0.111 3.063 2.041) 3.683 10.159 ( -0.375 -8.244 -0.584) 8.273 10.315 ( 0.931 -12.098 1.167) 12.190 11.053 ( -2.658 0.594 -0.644) 2.799 11.137 ( 1.157 0.063 -1.157) 1.637 11.506 ( -0.979 9.871 -0.689) 9.943 11.622 ( 0.683 5.202 0.981) 5.337 12.864 ( 1.261 6.221 6.370) 8.993 13.197 ( -1.220 0.709 -3.349) 3.634 13.431 ( 0.887 -6.318 -0.723) 6.421 13.761 ( -0.254 8.750 -0.137) 8.754 14.775 ( -0.694 5.008 -1.780) 5.360 14.956 ( -1.731 1.212 4.437) 4.915 15.259 ( 1.806 -13.475 -1.598) 13.689 15.417 ( -0.905 -14.812 -0.442) 14.846 18.323 ( 1.169 9.468 -0.501) 9.553 18.387 ( -1.693 10.134 0.386) 10.281 21.448 ( 0.584 -4.493 -0.885) 4.617 21.585 ( -0.912 -4.264 1.064) 4.488 25.846 ( -0.318 9.019 0.920) 9.071 25.930 ( -1.535 9.193 -1.153) 9.391 26.369 ( 0.102 10.706 0.243) 10.710 26.389 ( -1.451 12.931 -0.217) 13.014 28.285 ( 3.789 -0.813 0.149) 3.878 28.375 ( -0.003 -1.474 -0.206) 1.488 28.809 ( -0.484 -2.857 1.464) 3.247 28.955 ( -1.298 -3.617 -2.800) 4.755 29.531 ( 0.130 0.346 2.075) 2.107 30.067 ( -4.215 -6.439 2.147) 7.989 30.361 ( 11.916 -8.408 -5.700) 15.658 31.272 ( -5.517 -11.512 3.235) 13.169 ======================= Grid point 113 (45/114) ======================= q-point: (-0.44 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -2.742 5.653 0.286) 6.289 1.715 ( 3.028 2.361 8.685) 9.496 1.908 ( -4.006 0.126 0.123) 4.010 2.134 ( 1.665 1.021 -0.264) 1.971 2.338 ( -4.901 8.792 2.883) 10.471 2.552 ( -2.192 9.430 3.505) 10.296 2.704 ( -1.678 12.390 -7.966) 14.825 2.831 ( -3.105 7.862 -1.411) 8.570 3.030 ( 0.026 2.186 -6.571) 6.925 3.317 ( 2.196 5.571 -0.728) 6.032 3.484 ( -3.090 7.645 -4.697) 9.490 3.683 ( 1.154 5.014 1.984) 5.515 3.816 ( 0.516 5.903 -0.663) 5.963 3.962 ( 3.187 7.660 -5.982) 10.229 4.365 ( 1.970 -0.539 6.944) 7.238 4.539 ( -3.486 1.655 6.367) 7.445 4.788 ( -2.438 -3.931 0.318) 4.636 5.028 ( 0.990 -0.683 -0.256) 1.229 5.223 ( -3.092 -1.119 0.787) 3.382 5.349 ( 3.235 1.813 5.968) 7.026 5.483 ( -1.583 1.075 0.811) 2.079 5.680 ( 0.476 -9.804 -4.691) 10.879 5.960 ( -7.311 -8.382 2.166) 11.331 6.138 ( -0.166 -1.560 2.371) 2.843 6.355 ( 1.138 -1.471 -2.483) 3.102 6.517 ( 3.013 -4.336 -0.273) 5.287 6.767 ( -2.621 -0.506 2.192) 3.454 6.937 ( -1.247 -2.572 -2.420) 3.745 7.061 ( -2.033 0.223 -7.272) 7.554 7.358 ( -1.630 -0.371 -0.109) 1.675 7.661 ( -1.534 7.293 -0.166) 7.455 7.801 ( 3.586 9.284 -0.087) 9.953 8.394 ( -0.110 5.259 -1.528) 5.478 8.474 ( 2.060 0.655 0.206) 2.171 8.785 ( -1.285 5.101 0.408) 5.276 9.012 ( 0.430 2.596 1.972) 3.289 10.154 ( -0.111 -9.291 -0.656) 9.314 10.323 ( -0.238 -12.296 1.144) 12.352 11.001 ( -1.833 0.988 -0.657) 2.184 11.191 ( 3.603 0.656 -0.917) 3.775 11.495 ( -0.007 10.308 -0.804) 10.340 11.633 ( 0.389 5.171 0.918) 5.266 12.882 ( 0.292 4.721 6.800) 8.283 13.177 ( -0.639 -0.346 -3.784) 3.853 13.452 ( 1.403 -4.786 -0.787) 5.049 13.763 ( 0.417 8.480 -0.103) 8.490 14.773 ( 0.530 4.726 -2.028) 5.170 14.921 ( -1.770 0.630 4.262) 4.658 15.296 ( 1.826 -14.102 -1.099) 14.262 15.411 ( 0.415 -13.535 -0.500) 13.551 18.326 ( -1.199 8.812 -0.755) 8.925 18.372 ( 0.430 11.268 0.648) 11.294 21.464 ( 1.128 -4.551 -1.111) 4.819 21.577 ( 0.113 -4.243 1.284) 4.435 25.849 ( 0.600 9.023 1.007) 9.099 25.926 ( 1.217 9.124 -1.240) 9.288 26.364 ( -0.272 10.992 0.189) 10.997 26.392 ( 1.433 12.591 -0.162) 12.674 28.310 ( -2.943 -0.915 0.320) 3.099 28.353 ( -0.326 -1.424 -0.375) 1.508 28.813 ( 0.739 -2.831 1.356) 3.225 28.969 ( 2.924 -3.823 -2.736) 5.536 29.548 ( 1.789 0.228 2.254) 2.887 29.955 ( -7.266 -5.070 0.463) 8.872 30.544 ( 6.639 -11.284 -5.440) 14.177 31.164 ( -5.532 -9.600 4.518) 11.966 ======================= Grid point 114 (46/114) ======================= q-point: (-0.33 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -17.301 11.838 -3.729) 21.292 1.568 ( -15.902 -7.487 8.446) 19.501 1.873 ( -3.690 3.240 3.446) 5.999 2.204 ( -2.968 8.095 1.190) 8.704 2.294 ( 4.327 4.162 3.027) 6.723 2.539 ( 2.402 12.060 1.610) 12.402 2.726 ( 3.003 6.785 -6.781) 10.051 2.790 ( -0.279 10.428 3.244) 10.924 3.008 ( -2.319 -0.174 -2.275) 3.254 3.294 ( -6.668 5.099 -5.759) 10.180 3.425 ( 0.133 6.488 3.530) 7.388 3.738 ( 0.969 1.397 -3.981) 4.329 3.802 ( 1.212 13.916 -4.842) 14.784 4.052 ( 5.512 5.797 -3.608) 8.775 4.381 ( -1.609 -0.005 5.059) 5.309 4.462 ( -4.239 2.107 5.054) 6.925 4.747 ( -2.871 -2.728 1.243) 4.151 4.993 ( -3.529 -0.336 -2.053) 4.097 5.134 ( -4.937 -4.056 -1.534) 6.571 5.345 ( -5.004 1.268 2.777) 5.862 5.482 ( 2.013 5.655 0.628) 6.035 5.628 ( -6.028 -10.484 -2.351) 12.320 5.801 ( -6.785 -7.584 5.042) 11.357 6.109 ( -3.097 1.194 1.600) 3.685 6.367 ( -0.123 -6.840 0.713) 6.879 6.583 ( 1.987 -3.608 -1.575) 4.409 6.680 ( -3.394 -1.773 1.355) 4.062 6.919 ( -0.806 0.029 -0.312) 0.865 7.038 ( 0.089 -0.151 -8.034) 8.036 7.330 ( -1.248 -0.566 -2.551) 2.896 7.660 ( 1.091 2.453 0.625) 2.757 7.879 ( 3.824 7.411 -0.203) 8.342 8.372 ( -1.296 3.872 0.372) 4.100 8.529 ( 1.791 2.407 -1.396) 3.309 8.773 ( 1.243 8.916 1.164) 9.077 9.005 ( -1.532 2.192 1.863) 3.259 10.154 ( 0.132 -10.190 -0.712) 10.216 10.308 ( -1.212 -12.669 1.007) 12.767 10.994 ( 1.254 1.675 1.012) 2.325 11.265 ( 3.963 4.902 -2.599) 6.819 11.507 ( 1.191 8.852 0.280) 8.936 11.638 ( 0.122 4.644 0.172) 4.649 12.883 ( -0.331 2.830 7.576) 8.094 13.168 ( -0.075 -1.988 -5.165) 5.535 13.486 ( 2.029 -2.049 -0.081) 2.885 13.775 ( 0.914 8.614 -0.426) 8.673 14.789 ( 1.142 4.524 -1.837) 5.015 14.900 ( -0.398 0.863 2.897) 3.049 15.328 ( 1.631 -15.330 0.955) 15.446 15.432 ( 1.580 -12.472 -0.957) 12.609 18.296 ( -1.450 9.020 -0.566) 9.153 18.387 ( 0.882 11.993 0.276) 12.028 21.492 ( 1.757 -4.445 -1.099) 4.904 21.590 ( 1.061 -4.313 1.915) 4.837 25.873 ( 1.892 8.259 1.745) 8.651 25.969 ( 2.955 8.760 -1.484) 9.363 26.366 ( 0.415 11.499 0.222) 11.508 26.441 ( 3.938 15.159 -0.445) 15.668 28.211 ( -6.012 -1.443 -0.612) 6.213 28.337 ( -2.048 -0.438 0.247) 2.108 28.831 ( 0.862 -2.964 1.721) 3.534 29.055 ( 5.492 -3.425 -2.485) 6.933 29.587 ( -0.294 -1.062 1.696) 2.023 29.805 ( -5.469 -3.914 2.398) 7.139 30.602 ( -0.759 -14.843 -11.628) 18.871 31.073 ( -3.733 -9.168 9.128) 13.465 ======================= Grid point 115 (47/114) ======================= q-point: (-0.22 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -15.995 14.482 2.694) 21.745 1.218 ( -19.581 -3.258 11.917) 23.152 1.727 ( -10.405 4.227 -0.337) 11.236 2.116 ( -4.624 13.360 -8.735) 16.618 2.254 ( -9.842 13.587 17.152) 23.993 2.587 ( -1.195 9.138 6.455) 11.252 2.750 ( -0.845 0.976 -6.120) 6.255 2.856 ( 3.063 1.733 -6.367) 7.275 2.973 ( 2.340 3.677 9.313) 10.283 3.154 ( -4.295 4.883 -8.542) 10.736 3.462 ( 1.753 7.707 3.475) 8.633 3.694 ( -1.716 0.254 -13.153) 13.267 3.867 ( 2.735 13.401 -0.773) 13.700 4.139 ( 1.650 0.495 -1.313) 2.165 4.286 ( -5.599 1.578 0.791) 5.870 4.407 ( -2.064 3.339 3.496) 5.257 4.639 ( -7.492 -0.637 0.624) 7.545 4.924 ( -4.034 -3.946 -2.742) 6.274 5.045 ( -4.438 -4.976 2.895) 7.269 5.254 ( -3.950 0.986 2.106) 4.584 5.379 ( -10.901 0.866 -9.804) 14.687 5.554 ( -1.108 -0.261 1.152) 1.620 5.758 ( 1.762 -3.658 4.357) 5.956 6.014 ( -5.989 -0.540 0.469) 6.032 6.333 ( -4.056 -10.542 5.500) 12.563 6.587 ( 2.346 -0.896 0.571) 2.576 6.712 ( 4.015 -2.353 -1.233) 4.814 6.916 ( 0.730 1.326 2.334) 2.782 7.044 ( 0.510 -1.396 -10.042) 10.151 7.288 ( -3.610 0.241 -5.856) 6.883 7.690 ( 1.698 -3.123 2.109) 4.133 7.935 ( 1.778 4.271 0.347) 4.640 8.350 ( -0.926 2.167 1.219) 2.654 8.533 ( -0.578 5.405 -1.041) 5.535 8.826 ( 2.100 9.048 0.752) 9.319 8.965 ( -1.458 4.829 3.256) 6.004 10.158 ( 0.260 -10.971 -0.696) 10.996 10.281 ( -1.574 -13.043 0.852) 13.165 11.051 ( 4.361 3.550 2.324) 6.085 11.345 ( 4.507 9.253 -3.118) 10.754 11.536 ( 1.583 8.244 2.148) 8.665 11.641 ( 0.338 3.304 -1.832) 3.793 12.881 ( -0.101 0.328 8.215) 8.222 13.171 ( 0.605 -3.942 -6.336) 7.487 13.521 ( 1.066 0.482 1.837) 2.178 13.811 ( 3.444 9.751 -3.408) 10.888 14.812 ( 1.231 4.295 -1.414) 4.687 14.912 ( 1.504 1.566 1.120) 2.443 15.369 ( 2.687 -16.239 2.923) 16.717 15.466 ( 1.811 -12.488 -0.980) 12.657 18.279 ( -0.152 10.279 -0.223) 10.283 18.405 ( 1.053 13.596 -0.554) 13.647 21.532 ( 2.389 -4.242 -1.050) 4.980 21.617 ( 1.544 -5.022 3.152) 6.127 25.921 ( 2.654 6.395 2.791) 7.465 26.028 ( 2.814 7.853 -1.725) 8.519 26.379 ( 0.872 12.770 0.829) 12.827 26.564 ( 9.376 21.494 -2.355) 23.567 28.098 ( -5.284 -1.479 0.040) 5.487 28.273 ( -4.392 0.390 -1.662) 4.712 28.842 ( 0.115 -2.477 1.709) 3.012 29.158 ( 4.649 -3.176 -1.381) 5.797 29.423 ( -13.465 -1.716 0.254) 13.577 29.883 ( 10.905 -3.281 3.834) 12.016 30.484 ( -11.032 -20.519 -17.065) 28.878 31.036 ( -0.789 -11.204 16.008) 19.555 ======================= Grid point 116 (48/114) ======================= q-point: (-0.11 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.814 ( -10.266 8.952 16.723) 21.568 0.855 ( -13.830 13.196 11.758) 22.442 1.523 ( -8.192 6.624 -3.627) 11.142 1.956 ( -15.213 27.675 24.867) 40.196 2.063 ( -4.303 10.916 -14.650) 18.770 2.461 ( -11.140 1.010 10.339) 15.232 2.687 ( -2.182 5.118 1.169) 5.685 2.886 ( 1.522 5.189 -8.696) 10.240 3.090 ( 5.291 -0.446 -6.061) 8.058 3.151 ( 2.949 2.759 -1.675) 4.372 3.431 ( -3.096 8.376 3.585) 9.622 3.740 ( 5.669 2.378 -9.655) 11.446 3.874 ( -1.905 7.370 -2.383) 7.976 4.060 ( -5.401 -2.840 1.378) 6.256 4.262 ( -0.731 0.679 -2.111) 2.335 4.368 ( -1.879 2.756 1.691) 3.740 4.534 ( -1.214 2.590 -0.522) 2.908 4.784 ( -10.423 -4.301 2.034) 11.457 4.952 ( -4.412 -4.381 0.026) 6.218 5.160 ( -3.456 -0.230 -2.550) 4.301 5.282 ( 0.016 3.690 -4.010) 5.449 5.519 ( -2.060 1.447 0.547) 2.576 5.761 ( -5.165 -5.033 0.264) 7.216 5.939 ( -0.760 -2.118 -1.775) 2.866 6.270 ( -0.863 -5.943 2.369) 6.456 6.677 ( 4.933 -0.245 2.827) 5.691 6.775 ( 1.939 -2.087 1.032) 3.030 6.949 ( 1.811 1.182 0.996) 2.381 7.018 ( -3.344 -1.209 -7.743) 8.520 7.202 ( -2.141 2.059 -6.594) 7.232 7.725 ( 1.673 -4.025 5.399) 6.939 7.955 ( 0.736 -1.563 1.114) 2.056 8.345 ( 0.733 1.178 1.195) 1.831 8.519 ( -1.104 7.842 -0.224) 7.922 8.791 ( -4.130 3.398 0.929) 5.428 8.994 ( 2.693 10.555 5.359) 12.140 10.163 ( 0.325 -12.015 -0.550) 12.032 10.252 ( -1.369 -12.394 0.960) 12.506 11.150 ( 5.036 5.272 1.021) 7.362 11.435 ( 4.480 11.503 -1.129) 12.397 11.561 ( 0.354 9.597 3.162) 10.110 11.650 ( 0.791 1.541 -4.231) 4.572 12.887 ( 0.160 -2.811 8.044) 8.522 13.189 ( 1.490 -5.156 -6.057) 8.093 13.513 ( -2.055 0.644 4.295) 4.805 13.925 ( 8.062 10.610 -11.967) 17.910 14.841 ( 2.103 4.293 -2.328) 5.317 14.951 ( 2.188 2.366 -0.539) 3.267 15.434 ( 3.324 -18.297 2.946) 18.829 15.502 ( 2.032 -12.568 -0.665) 12.749 18.292 ( 1.273 12.857 -0.886) 12.951 18.436 ( 2.447 16.813 -1.785) 17.084 21.579 ( 2.345 -3.954 -0.721) 4.653 21.643 ( 0.239 -7.370 4.194) 8.483 25.964 ( 1.108 3.669 3.957) 5.509 26.070 ( 1.689 7.146 -2.132) 7.646 26.401 ( 1.381 14.577 2.344) 14.829 26.827 ( 17.552 31.192 -12.912) 38.049 28.015 ( -2.938 -1.216 0.835) 3.288 28.163 ( -7.051 1.277 -5.473) 9.017 28.831 ( -1.338 -0.846 0.447) 1.645 29.125 ( -10.545 -2.332 1.436) 10.895 29.271 ( 2.138 -0.796 -1.545) 2.755 29.955 ( -19.037 -8.381 -23.165) 31.133 30.356 ( 13.367 -24.711 17.632) 33.169 31.042 ( 0.522 -16.984 20.957) 26.981 ======================= Grid point 117 (49/114) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 6.667 18.230 2.323) 19.550 1.207 ( 5.132 18.112 -3.006) 19.064 1.668 ( 1.083 14.745 -7.142) 16.419 2.069 ( -9.260 8.315 -7.491) 14.526 2.233 ( 0.982 9.200 8.868) 12.816 2.575 ( 1.609 11.173 7.631) 13.626 2.836 ( -1.632 12.566 4.347) 13.396 3.024 ( -2.602 8.624 -0.986) 9.062 3.103 ( 1.986 -2.480 -3.049) 4.403 3.288 ( 0.630 5.450 -3.662) 6.596 3.539 ( 3.814 3.082 5.496) 7.365 3.855 ( 0.493 0.763 2.250) 2.426 3.895 ( 0.033 -4.043 1.230) 4.226 4.145 ( -2.495 13.811 -6.949) 15.660 4.224 ( 2.163 0.719 2.920) 3.704 4.327 ( 3.734 -0.526 2.447) 4.495 4.593 ( -5.931 0.042 0.254) 5.936 4.644 ( 2.897 2.122 -3.298) 4.876 4.890 ( -0.925 -0.847 -0.824) 1.500 5.103 ( -2.472 -4.705 -3.717) 6.486 5.286 ( -3.525 4.422 1.218) 5.784 5.498 ( 3.104 5.356 -2.383) 6.634 5.665 ( -1.781 -2.248 -2.429) 3.758 5.988 ( 0.594 8.809 0.161) 8.830 6.265 ( -2.344 2.202 -4.998) 5.943 6.640 ( -1.731 -3.219 2.101) 4.216 6.791 ( 0.990 -0.016 0.400) 1.068 6.969 ( -3.258 1.706 0.278) 3.688 7.093 ( 9.975 1.259 0.204) 10.056 7.287 ( 2.250 4.086 -8.820) 9.978 7.707 ( 2.503 -2.460 5.981) 6.935 7.806 ( -2.678 -7.387 -0.806) 7.898 8.503 ( 2.708 8.687 -0.705) 9.127 8.601 ( -3.161 5.089 1.459) 6.165 8.842 ( -2.625 5.305 1.129) 6.025 9.115 ( 0.087 0.733 10.105) 10.132 9.946 ( -0.183 -7.239 -0.511) 7.259 10.043 ( 0.519 -7.166 1.575) 7.355 11.366 ( 1.508 7.851 -2.781) 8.464 11.630 ( -5.014 4.998 4.999) 8.666 11.684 ( -1.192 4.752 -1.370) 5.087 11.762 ( 4.110 5.735 -0.302) 7.062 13.009 ( -0.196 9.096 0.119) 9.099 13.127 ( 2.006 -2.026 -4.245) 5.114 13.416 ( -3.876 -2.313 3.630) 5.792 13.991 ( 1.396 -7.831 -8.034) 11.306 14.770 ( 0.873 -17.833 -2.653) 18.050 14.893 ( 0.157 -18.307 -1.564) 18.374 15.051 ( 0.122 -10.825 3.167) 11.280 15.277 ( 0.507 -9.262 -4.553) 10.333 18.709 ( -0.723 24.383 -1.987) 24.475 18.925 ( 0.703 22.616 -4.039) 22.985 21.418 ( -3.062 -9.590 3.888) 10.792 21.477 ( 1.503 -9.752 0.604) 9.886 26.126 ( -0.420 11.369 2.600) 11.670 26.301 ( 0.373 12.614 -2.564) 12.877 26.823 ( 1.120 19.922 8.397) 21.648 27.503 ( -2.316 9.389 -18.140) 20.556 28.020 ( 0.380 -0.539 -0.880) 1.100 28.094 ( -0.366 6.603 -12.342) 14.002 28.836 ( 0.892 0.292 0.429) 1.032 28.954 ( -1.041 -4.592 0.659) 4.754 29.204 ( -7.762 -9.611 8.514) 15.004 29.297 ( -0.875 -3.693 -0.167) 3.799 30.303 ( 10.647 -16.122 2.111) 19.435 30.584 ( -0.943 -20.908 14.829) 25.651 ======================= Grid point 118 (50/114) ======================= q-point: ( 0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 10.389 10.076 5.107) 15.347 1.434 ( 15.499 14.422 -5.019) 21.758 1.739 ( 2.469 17.993 -4.840) 18.795 1.930 ( -0.157 6.627 -2.928) 7.247 2.329 ( 7.511 10.849 3.319) 13.606 2.645 ( 4.252 11.786 5.491) 13.680 2.808 ( -0.718 14.073 4.500) 14.792 2.982 ( -1.763 5.584 -2.529) 6.378 3.154 ( 3.211 -5.365 -3.079) 6.969 3.358 ( 6.190 2.117 -0.112) 6.543 3.617 ( 3.079 7.114 4.324) 8.876 3.855 ( -1.593 4.030 0.393) 4.351 3.957 ( 4.472 -3.055 1.871) 5.730 4.099 ( 0.374 6.467 -3.236) 7.241 4.288 ( 2.866 0.721 2.503) 3.873 4.415 ( 2.950 1.124 3.320) 4.581 4.532 ( 1.158 4.601 -4.269) 6.382 4.737 ( 5.759 -1.156 0.783) 5.926 4.882 ( 2.474 -1.642 -4.656) 5.522 5.084 ( 0.631 -2.104 0.309) 2.218 5.235 ( -1.269 3.417 -3.098) 4.784 5.541 ( 1.536 3.883 -4.174) 5.904 5.661 ( 0.755 -1.282 -1.914) 2.424 6.005 ( 0.491 3.767 2.674) 4.646 6.178 ( -3.456 5.120 -0.260) 6.182 6.618 ( -1.275 -0.130 -0.621) 1.424 6.769 ( -3.226 0.086 1.774) 3.682 6.908 ( -1.377 -0.681 1.184) 1.940 7.267 ( 2.129 1.251 -5.421) 5.957 7.324 ( 4.807 1.168 -6.384) 8.076 7.703 ( -1.143 -0.032 3.870) 4.035 7.863 ( 6.437 -9.137 0.164) 11.178 8.487 ( -3.007 4.688 1.140) 5.685 8.631 ( 4.024 7.714 -0.569) 8.719 8.794 ( -1.717 4.509 2.538) 5.452 9.114 ( -0.534 4.225 8.004) 9.067 9.942 ( -0.031 -9.521 -0.694) 9.546 10.055 ( 0.570 -6.166 1.418) 6.352 11.326 ( -5.932 6.223 -1.547) 8.735 11.520 ( -4.921 9.164 3.350) 10.928 11.659 ( -1.060 5.056 -1.895) 5.502 11.803 ( -0.015 4.827 0.830) 4.898 12.995 ( -0.891 7.192 0.012) 7.247 13.178 ( 2.948 -2.101 -3.945) 5.354 13.352 ( -2.507 -0.414 2.447) 3.527 13.980 ( -1.876 -5.601 -5.286) 7.927 14.783 ( 0.516 -19.721 -2.540) 19.891 14.890 ( -0.224 -16.039 -1.372) 16.099 15.044 ( -0.832 -12.381 3.281) 12.835 15.238 ( -4.001 -4.909 -3.158) 7.076 18.663 ( -3.394 24.553 -1.493) 24.832 18.887 ( -3.471 22.079 -2.183) 22.457 21.361 ( -2.594 -8.363 2.502) 9.106 21.495 ( 0.222 -9.817 1.256) 9.900 26.121 ( -0.244 12.349 2.222) 12.550 26.302 ( -0.294 12.834 -2.194) 13.023 26.809 ( -3.023 19.393 7.464) 20.999 27.269 ( -15.954 16.811 -12.803) 26.477 27.996 ( 1.646 1.390 -0.598) 2.236 28.179 ( 4.448 1.393 -6.674) 8.140 28.787 ( -3.222 -4.525 2.710) 6.181 29.013 ( 2.648 -4.479 1.286) 5.359 29.221 ( 8.277 -3.814 -0.190) 9.116 29.370 ( 6.979 -4.232 2.262) 8.469 30.281 ( -7.735 -15.925 -3.455) 18.038 30.751 ( 11.677 -25.547 12.563) 30.770 ======================= Grid point 119 (51/114) ======================= q-point: ( 0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 7.249 5.510 5.332) 10.551 1.637 ( 1.687 21.843 3.206) 22.142 1.763 ( 8.343 8.635 -7.239) 14.020 2.104 ( 12.082 4.310 -2.037) 12.988 2.469 ( 5.697 8.667 1.627) 10.499 2.710 ( 1.148 3.758 -1.913) 4.370 2.828 ( 3.610 17.404 4.592) 18.358 2.963 ( -0.020 5.127 -0.532) 5.154 3.208 ( 2.248 -4.139 -2.294) 5.239 3.467 ( 3.285 -2.105 0.397) 3.922 3.657 ( 0.023 20.835 3.034) 21.055 3.817 ( -0.429 2.379 -2.552) 3.515 4.001 ( -0.688 2.922 0.213) 3.010 4.100 ( -1.766 -1.850 4.998) 5.615 4.370 ( 5.834 1.131 -0.197) 5.945 4.478 ( 5.394 -2.829 2.177) 6.469 4.600 ( 3.895 13.232 -6.312) 15.169 4.794 ( 2.537 -1.561 0.686) 3.057 4.978 ( 1.608 2.071 1.170) 2.871 5.182 ( 9.304 0.984 0.190) 9.358 5.261 ( 6.495 -6.179 -5.830) 10.693 5.557 ( 0.089 1.039 -2.269) 2.497 5.665 ( -0.178 -0.897 -2.268) 2.446 6.005 ( 0.059 -3.425 6.302) 7.173 6.189 ( 3.792 5.715 -0.325) 6.867 6.581 ( -2.231 0.483 -1.708) 2.851 6.690 ( -3.461 1.173 0.712) 3.723 6.922 ( 1.550 -2.839 1.399) 3.524 7.219 ( -4.022 1.600 -5.736) 7.186 7.403 ( 1.899 -0.224 -2.076) 2.823 7.715 ( 2.307 2.107 1.347) 3.403 7.981 ( 4.688 -4.594 -0.379) 6.575 8.440 ( -1.760 2.923 0.850) 3.517 8.653 ( -1.725 6.333 -1.489) 6.730 8.812 ( 2.940 6.790 3.032) 7.996 9.106 ( -0.421 6.376 4.416) 7.767 9.946 ( 0.354 -11.279 -1.182) 11.347 10.065 ( 0.344 -6.274 1.278) 6.412 11.181 ( -7.209 4.855 2.823) 9.138 11.427 ( -5.696 9.015 -2.197) 10.888 11.653 ( 0.696 5.617 -0.409) 5.675 11.780 ( -1.611 5.673 0.581) 5.926 12.987 ( 0.174 6.456 0.667) 6.493 13.222 ( 1.393 -5.485 -2.189) 6.068 13.322 ( -0.661 4.256 -0.436) 4.329 13.932 ( -2.526 -2.287 -1.432) 3.696 14.787 ( -0.061 -19.745 -2.277) 19.876 14.884 ( -0.302 -14.107 -1.022) 14.148 15.026 ( -1.158 -13.506 3.666) 14.042 15.148 ( -4.346 -1.316 -1.610) 4.818 18.607 ( -1.719 22.506 -0.418) 22.575 18.820 ( -3.047 21.854 -0.632) 22.075 21.323 ( -1.382 -8.442 0.801) 8.592 21.488 ( -0.918 -9.742 1.237) 9.863 26.117 ( -0.291 13.651 1.563) 13.743 26.284 ( -1.495 14.266 -1.533) 14.425 26.733 ( -4.184 17.999 4.010) 18.909 26.992 ( -11.413 19.298 -4.937) 22.958 28.070 ( 5.029 -0.026 -0.409) 5.045 28.251 ( 3.561 -0.418 -2.135) 4.173 28.744 ( -1.488 -6.240 2.392) 6.847 29.003 ( -3.085 -4.533 -0.699) 5.528 29.414 ( 8.942 -3.654 0.129) 9.660 29.553 ( 11.566 -6.121 2.848) 13.392 30.130 ( -6.385 -12.612 -6.395) 15.516 30.925 ( 5.438 -24.039 6.451) 25.477 ======================= Grid point 120 (52/114) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 2.811 13.597 9.154) 16.630 1.703 ( 4.835 7.336 -3.849) 9.592 1.927 ( 6.742 8.093 -1.840) 10.693 2.272 ( 3.776 5.028 4.160) 7.539 2.532 ( 0.488 10.513 0.468) 10.535 2.747 ( 4.971 -0.638 0.542) 5.041 2.920 ( 3.500 10.611 -2.926) 11.550 2.969 ( 1.147 5.933 -0.478) 6.061 3.222 ( -1.505 4.060 -5.390) 6.914 3.466 ( -2.809 2.644 -1.888) 4.295 3.653 ( 0.988 8.972 2.072) 9.260 3.815 ( -1.858 7.619 -3.724) 8.681 3.949 ( -2.626 3.853 2.033) 5.087 4.071 ( -0.021 2.541 4.552) 5.213 4.469 ( 2.984 8.504 2.478) 9.347 4.599 ( 3.655 0.061 0.606) 3.705 4.653 ( 4.252 5.129 -5.850) 8.866 4.881 ( 3.598 -0.659 0.838) 3.753 4.999 ( 3.794 -1.438 0.243) 4.065 5.277 ( 3.592 -2.332 0.187) 4.286 5.466 ( 6.035 -0.918 1.102) 6.203 5.552 ( 0.263 -0.795 -0.969) 1.281 5.694 ( 5.427 -2.903 -2.227) 6.545 6.014 ( 0.224 -6.256 5.776) 8.518 6.282 ( 4.855 2.426 -1.568) 5.650 6.534 ( -2.900 -1.394 -1.673) 3.627 6.666 ( 1.353 1.524 0.958) 2.252 6.941 ( -0.003 -2.763 -0.696) 2.849 7.143 ( -2.947 1.788 -4.886) 5.979 7.413 ( -0.394 0.440 1.642) 1.745 7.779 ( 3.639 4.715 1.150) 6.066 8.024 ( -0.243 2.121 -0.754) 2.264 8.422 ( 0.022 1.719 -0.499) 1.790 8.601 ( -2.965 5.720 -1.598) 6.638 8.872 ( 2.802 8.739 2.249) 9.448 9.102 ( -0.280 6.393 1.803) 6.649 9.952 ( 0.301 -11.322 -1.516) 11.427 10.070 ( 0.070 -7.844 1.425) 7.973 11.084 ( -2.662 2.540 3.489) 5.070 11.296 ( -7.067 6.662 -2.658) 10.069 11.680 ( 1.735 6.603 -0.208) 6.830 11.756 ( -0.801 6.921 -0.358) 6.977 13.000 ( 0.931 5.722 1.473) 5.981 13.230 ( -0.174 -6.224 -1.274) 6.355 13.319 ( 0.067 6.027 -1.741) 6.274 13.891 ( -1.537 -0.107 1.021) 1.848 14.779 ( -0.627 -17.116 -1.730) 17.214 14.882 ( 0.109 -16.637 -0.742) 16.654 14.994 ( -2.507 -9.140 2.447) 9.788 15.092 ( -1.124 -4.065 -0.418) 4.238 18.598 ( 0.564 20.229 -0.233) 20.238 18.770 ( -2.111 21.857 0.026) 21.958 21.305 ( -0.487 -8.960 -0.243) 8.977 21.465 ( -1.349 -9.601 1.021) 9.749 26.112 ( -0.188 14.928 0.826) 14.952 26.245 ( -2.295 15.941 -0.874) 16.129 26.670 ( -2.239 16.029 1.610) 16.265 26.819 ( -6.451 18.650 -1.556) 19.795 28.171 ( 5.118 -0.979 -0.795) 5.271 28.313 ( 2.487 -1.634 0.003) 2.975 28.725 ( -0.635 -6.224 1.419) 6.416 28.920 ( -4.793 -5.780 -1.283) 7.618 29.522 ( 2.654 -0.139 1.194) 2.913 29.792 ( 10.534 -11.504 6.338) 16.837 30.055 ( -0.324 -9.374 -9.900) 13.638 30.980 ( 0.488 -20.284 3.553) 20.599 ======================= Grid point 121 (53/114) ======================= q-point: ( 0.44 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 1.536 6.691 0.948) 6.930 1.799 ( 5.629 7.230 4.500) 10.208 2.012 ( 2.433 6.231 0.838) 6.741 2.250 ( -4.945 4.873 6.334) 9.397 2.547 ( 1.494 12.680 2.190) 12.954 2.810 ( -1.382 4.957 5.573) 7.586 2.968 ( 2.851 5.415 -8.632) 10.581 3.012 ( 1.639 3.506 -4.331) 5.808 3.143 ( -4.229 11.210 -10.978) 16.251 3.400 ( -3.197 3.188 -2.360) 5.094 3.672 ( -0.543 4.746 3.754) 6.075 3.754 ( -1.312 8.288 2.336) 8.710 3.960 ( 2.498 3.455 -3.516) 5.526 4.102 ( 2.526 5.994 0.104) 6.505 4.490 ( 0.005 14.700 1.734) 14.802 4.617 ( 0.244 3.716 3.953) 5.431 4.741 ( 1.873 -1.590 -3.677) 4.422 4.906 ( 1.811 -1.293 1.333) 2.594 5.108 ( 3.977 -8.360 1.459) 9.372 5.351 ( 4.011 -0.873 -1.149) 4.263 5.487 ( -0.266 2.511 4.608) 5.255 5.555 ( -0.751 -2.920 -0.784) 3.116 5.817 ( 3.055 -7.584 -2.792) 8.640 6.027 ( 1.744 -3.210 5.245) 6.392 6.348 ( 1.518 0.016 -1.922) 2.450 6.468 ( -2.900 -0.401 -0.263) 2.939 6.728 ( 3.592 -0.654 0.060) 3.651 6.917 ( -1.916 -2.128 -1.971) 3.477 7.106 ( -1.171 2.097 -4.621) 5.208 7.397 ( -1.333 0.806 3.606) 3.928 7.833 ( 1.093 5.627 1.031) 5.824 7.989 ( -2.250 7.626 -0.102) 7.951 8.444 ( 2.148 0.325 -1.504) 2.642 8.556 ( -1.118 7.559 -2.282) 7.975 8.919 ( 1.807 9.009 1.376) 9.291 9.093 ( -0.610 5.417 1.380) 5.623 9.953 ( -0.166 -10.054 -1.498) 10.167 10.070 ( -0.106 -9.894 1.617) 10.026 11.071 ( 0.286 1.683 1.869) 2.532 11.180 ( -3.668 4.217 -0.788) 5.645 11.710 ( 1.161 7.551 -0.580) 7.662 11.747 ( -0.229 7.127 -0.850) 7.182 13.016 ( 0.398 5.590 1.840) 5.899 13.227 ( 0.068 -3.155 -1.722) 3.595 13.317 ( -0.049 3.023 -1.045) 3.199 13.873 ( -0.420 0.925 1.869) 2.127 14.766 ( -0.542 -14.660 -1.294) 14.727 14.884 ( 0.010 -21.401 -0.017) 21.401 14.943 ( -2.222 -3.143 0.300) 3.860 15.094 ( 0.971 -7.433 0.611) 7.521 18.616 ( 0.936 19.235 -0.603) 19.267 18.737 ( -1.245 22.063 0.564) 22.105 21.304 ( 0.338 -9.341 -0.784) 9.380 21.442 ( -0.865 -9.496 0.965) 9.584 26.113 ( 0.248 15.943 0.260) 15.947 26.204 ( -1.523 16.500 -0.464) 16.577 26.647 ( -0.343 14.896 0.631) 14.913 26.734 ( -2.387 18.105 -0.412) 18.266 28.262 ( 4.015 -1.420 -0.323) 4.271 28.333 ( -0.801 -2.500 0.044) 2.626 28.721 ( 0.115 -5.490 0.923) 5.568 28.843 ( -2.301 -6.959 -1.472) 7.476 29.549 ( 0.704 1.528 1.767) 2.440 29.882 ( -1.050 -10.616 3.214) 11.142 30.136 ( 7.254 -12.068 -6.597) 15.549 30.960 ( -2.400 -17.112 2.668) 17.484 ======================= Grid point 122 (54/114) ======================= q-point: (-0.44 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -7.271 -3.373 1.630) 8.179 1.897 ( 2.470 9.427 5.596) 11.237 2.018 ( -4.252 9.003 -0.833) 9.991 2.190 ( 2.562 4.862 5.651) 7.883 2.554 ( -1.898 13.001 6.668) 14.733 2.751 ( -2.639 8.867 -0.177) 9.253 2.947 ( -3.178 8.456 -13.933) 16.606 2.988 ( -3.059 4.407 -1.468) 5.562 3.133 ( 1.455 7.313 -7.112) 10.304 3.379 ( 1.632 2.748 -1.283) 3.444 3.632 ( -3.525 7.257 5.372) 9.693 3.771 ( 1.471 6.589 1.130) 6.845 4.002 ( 1.920 3.603 -3.737) 5.534 4.158 ( 2.874 3.252 -0.781) 4.410 4.489 ( -0.359 13.300 -0.356) 13.310 4.622 ( -0.490 7.711 3.753) 8.590 4.735 ( -0.256 1.052 0.087) 1.087 4.956 ( 1.578 -4.274 -0.198) 4.560 5.115 ( -3.076 -7.868 1.259) 8.541 5.421 ( 2.400 2.073 2.969) 4.344 5.481 ( -1.541 -4.899 -2.318) 5.634 5.533 ( -0.252 -0.083 2.467) 2.482 5.775 ( -5.637 -6.620 -1.699) 8.859 6.066 ( 0.691 -3.847 4.071) 5.644 6.339 ( -1.695 -0.350 -1.960) 2.615 6.458 ( 1.626 -0.447 -0.278) 1.709 6.750 ( -1.975 -1.272 0.315) 2.370 6.895 ( 0.287 -1.119 -1.925) 2.245 7.074 ( -1.981 2.050 -4.869) 5.642 7.363 ( -2.162 0.762 4.058) 4.661 7.800 ( -3.714 5.605 -1.410) 6.870 7.981 ( 1.152 6.736 1.928) 7.101 8.483 ( 1.183 1.614 -1.518) 2.512 8.569 ( 2.511 8.764 -2.229) 9.386 8.942 ( 0.841 9.407 1.118) 9.511 9.080 ( -0.892 3.711 1.525) 4.110 9.947 ( -0.317 -9.026 -1.468) 9.150 10.066 ( -0.332 -10.592 1.630) 10.722 11.055 ( -1.189 4.272 1.395) 4.649 11.199 ( 4.820 0.814 -0.321) 4.899 11.720 ( -0.056 8.954 -1.184) 9.032 11.744 ( -0.137 5.906 -0.253) 5.913 13.015 ( -0.418 6.478 1.698) 6.710 13.219 ( -1.273 0.915 -1.112) 1.922 13.335 ( 2.424 -2.084 -1.619) 3.583 13.871 ( -0.039 1.056 1.972) 2.237 14.758 ( -0.161 -13.845 -1.412) 13.917 14.874 ( -1.057 -20.630 0.276) 20.659 14.924 ( 0.306 -3.532 0.226) 3.552 15.121 ( 1.683 -8.815 0.503) 8.988 18.624 ( -0.065 19.780 -0.725) 19.793 18.726 ( 0.165 21.921 0.688) 21.933 21.317 ( 1.111 -9.504 -0.956) 9.616 21.435 ( 0.127 -9.451 1.133) 9.519 26.117 ( 0.080 16.074 0.298) 16.077 26.197 ( 0.923 16.236 -0.497) 16.270 26.652 ( 0.722 15.274 0.695) 15.306 26.727 ( 1.831 17.844 -0.480) 17.944 28.278 ( -4.465 -2.444 -0.465) 5.111 28.319 ( 1.538 -1.643 0.200) 2.259 28.725 ( 0.311 -5.524 0.866) 5.600 28.851 ( 3.188 -7.224 -1.448) 8.028 29.565 ( 0.934 1.489 1.966) 2.637 29.811 ( -5.716 -8.241 1.339) 10.118 30.243 ( 3.029 -16.101 -5.515) 17.287 30.898 ( -3.917 -14.973 3.280) 15.821 ======================= Grid point 123 (55/114) ======================= q-point: (-0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -12.486 -1.957 5.097) 13.627 1.787 ( -11.907 18.659 -3.485) 22.407 1.960 ( -1.979 4.475 3.046) 5.764 2.289 ( 3.935 3.907 4.690) 7.262 2.484 ( -4.335 10.694 2.047) 11.720 2.733 ( -0.225 7.180 -5.332) 8.946 2.907 ( -3.274 4.038 -6.081) 8.001 2.925 ( 0.619 6.495 4.024) 7.666 3.154 ( 0.657 8.596 -5.609) 10.285 3.429 ( 3.013 5.815 -1.202) 6.659 3.546 ( -4.520 10.581 5.582) 12.789 3.778 ( -1.243 5.502 -2.136) 6.032 4.040 ( 1.878 3.584 -0.695) 4.106 4.195 ( 0.687 -0.480 3.074) 3.186 4.444 ( -5.202 5.278 -1.679) 7.599 4.603 ( -1.262 11.587 0.681) 11.675 4.742 ( -0.712 4.365 -0.297) 4.433 4.946 ( -2.008 -3.416 0.522) 3.996 5.016 ( -5.838 -4.500 -0.064) 7.371 5.353 ( -6.366 -1.490 0.454) 6.554 5.458 ( -4.545 -2.709 -3.597) 6.398 5.573 ( 4.186 -2.810 3.118) 5.928 5.667 ( -3.793 -0.034 -1.367) 4.032 6.059 ( -1.015 -7.037 4.392) 8.357 6.281 ( -4.261 2.988 -1.464) 5.406 6.505 ( 2.668 -3.037 -1.445) 4.293 6.690 ( -2.573 0.405 0.969) 2.779 6.907 ( 0.403 -0.710 -0.675) 1.059 7.040 ( -0.814 1.697 -4.982) 5.325 7.328 ( -1.455 0.481 2.499) 2.931 7.725 ( -3.624 3.247 -2.062) 5.285 8.002 ( 0.252 3.507 1.969) 4.030 8.485 ( -0.758 7.347 -0.090) 7.387 8.624 ( 2.687 5.464 -2.303) 6.510 8.974 ( 2.419 9.131 1.386) 9.547 9.052 ( -2.088 1.893 2.371) 3.683 9.942 ( -0.059 -8.707 -1.526) 8.840 10.057 ( -0.640 -9.491 1.518) 9.633 11.067 ( 2.686 5.307 2.939) 6.634 11.324 ( 7.542 1.416 -2.179) 7.977 11.712 ( -0.554 8.703 -1.602) 8.867 11.738 ( -0.425 5.364 1.099) 5.492 13.007 ( -0.395 7.784 1.508) 7.938 13.179 ( -2.531 1.566 -1.375) 3.278 13.405 ( 4.312 -4.087 -1.969) 6.259 13.870 ( -0.039 0.225 1.248) 1.268 14.757 ( 0.091 -13.689 -2.002) 13.835 14.857 ( -0.404 -17.885 0.010) 17.889 14.947 ( 1.818 -6.323 1.564) 6.763 15.155 ( 1.770 -9.707 0.017) 9.867 18.621 ( 0.175 21.557 -0.335) 21.560 18.742 ( 1.466 21.638 0.142) 21.688 21.346 ( 1.850 -9.527 -0.780) 9.736 21.446 ( 0.819 -9.529 1.526) 9.685 26.120 ( 0.309 14.830 0.971) 14.865 26.230 ( 2.093 15.684 -1.000) 15.854 26.675 ( 1.700 16.622 1.714) 16.796 26.811 ( 7.040 18.228 -1.668) 19.612 28.173 ( -5.845 -2.149 -0.682) 6.265 28.322 ( -1.183 -1.068 -0.086) 1.596 28.738 ( 0.973 -5.916 1.266) 6.128 28.945 ( 5.855 -6.990 -1.245) 9.203 29.556 ( -4.761 -2.119 0.862) 5.282 29.708 ( -1.579 -4.494 3.921) 6.170 30.227 ( -4.799 -18.939 -9.346) 21.658 30.820 ( -4.109 -14.205 5.830) 15.895 ======================= Grid point 124 (56/114) ======================= q-point: (-0.22 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -8.903 7.962 2.689) 12.243 1.538 ( -13.059 21.532 -2.124) 25.272 1.865 ( -7.446 8.575 1.304) 11.431 2.307 ( -2.164 4.218 0.785) 4.806 2.404 ( -4.403 6.209 0.086) 7.613 2.708 ( -3.155 -1.014 -4.596) 5.666 2.841 ( -1.705 6.049 -2.795) 6.879 2.976 ( 2.758 8.168 8.539) 12.134 3.128 ( -2.710 6.204 -2.872) 7.354 3.429 ( -3.349 19.432 6.032) 20.621 3.572 ( 4.586 6.218 -2.310) 8.064 3.727 ( -1.168 6.154 -3.571) 7.210 4.051 ( -1.624 1.294 2.040) 2.911 4.169 ( -4.443 -1.511 2.956) 5.546 4.311 ( -5.915 0.844 -1.224) 6.099 4.542 ( -5.583 3.083 0.465) 6.394 4.664 ( -6.059 6.009 -3.053) 9.063 4.892 ( -4.588 -0.579 3.586) 5.852 4.936 ( -2.212 -1.260 0.686) 2.636 5.238 ( -5.576 -0.794 -4.633) 7.293 5.357 ( -2.556 0.307 -3.707) 4.513 5.554 ( -4.748 -2.817 -1.304) 5.673 5.695 ( 3.548 -1.193 -2.368) 4.429 6.032 ( -2.261 -2.172 3.588) 4.765 6.207 ( -1.839 5.321 2.531) 6.173 6.558 ( 3.603 -2.017 -1.593) 4.426 6.689 ( 1.922 -1.518 0.666) 2.539 6.914 ( 0.882 -0.641 0.012) 1.090 7.039 ( 0.559 2.019 -4.436) 4.906 7.302 ( -1.676 1.176 -0.972) 2.266 7.666 ( -1.994 0.362 -0.890) 2.214 7.978 ( -2.920 -0.294 1.743) 3.413 8.464 ( -1.019 9.343 0.898) 9.441 8.666 ( 1.561 5.668 -1.973) 6.201 8.967 ( -3.628 5.531 -1.503) 6.783 9.057 ( 2.587 1.613 7.959) 8.523 9.943 ( 0.162 -8.134 -1.335) 8.244 10.045 ( -0.592 -8.031 1.450) 8.182 11.160 ( 6.440 6.818 2.815) 9.792 11.478 ( 8.123 2.939 -2.921) 9.119 11.700 ( -0.606 6.881 -1.887) 7.161 11.731 ( -0.332 5.566 2.842) 6.258 13.003 ( -0.077 9.265 1.145) 9.335 13.132 ( -1.862 0.135 -2.410) 3.048 13.477 ( 2.433 -4.055 -0.556) 4.762 13.881 ( 1.550 -2.058 -1.820) 3.154 14.758 ( 0.020 -14.261 -2.345) 14.452 14.862 ( 0.824 -17.904 -0.356) 17.926 14.990 ( 2.399 -7.448 2.616) 8.251 15.191 ( 2.028 -10.012 -0.924) 10.257 18.642 ( 2.068 23.376 -0.523) 23.473 18.785 ( 3.062 22.302 -0.492) 22.516 21.388 ( 2.448 -9.568 -0.332) 9.882 21.462 ( 0.535 -9.854 2.223) 10.116 26.128 ( 0.364 12.964 1.799) 13.093 26.267 ( 1.659 14.549 -1.739) 14.747 26.719 ( 2.584 18.083 3.445) 18.589 27.010 ( 13.758 18.760 -4.345) 23.667 28.064 ( -4.979 -1.525 -0.235) 5.213 28.278 ( -3.134 -0.054 -2.246) 3.856 28.762 ( 1.405 -5.306 1.894) 5.807 29.051 ( 4.233 -7.060 -0.616) 8.255 29.376 ( -10.851 -2.639 0.154) 11.169 29.787 ( 7.368 -6.489 8.648) 13.084 30.033 ( -14.559 -18.624 -14.635) 27.803 30.746 ( -3.913 -15.405 9.165) 18.347 ======================= Grid point 125 (57/114) ======================= q-point: (-0.11 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -0.363 18.516 -3.521) 18.851 1.287 ( -11.592 20.181 2.182) 23.375 1.723 ( -5.870 13.274 -2.295) 14.694 2.224 ( -5.577 4.372 -13.503) 15.249 2.293 ( -6.654 6.355 12.418) 15.456 2.609 ( -5.068 5.840 4.120) 8.762 2.842 ( 0.732 8.036 1.362) 8.183 3.035 ( 2.500 4.218 2.340) 5.433 3.087 ( -0.912 6.641 -0.795) 6.750 3.348 ( -5.246 16.122 -2.494) 17.136 3.526 ( -3.456 2.354 3.983) 5.775 3.827 ( 4.770 6.172 -0.615) 7.824 3.962 ( -6.003 -2.206 1.981) 6.695 4.099 ( 0.892 5.700 -1.650) 6.000 4.252 ( -1.192 0.065 -1.315) 1.776 4.382 ( -9.163 -3.569 2.861) 10.241 4.603 ( 0.371 5.167 -4.254) 6.703 4.751 ( -9.068 0.118 3.211) 9.621 4.906 ( -1.041 -0.570 1.203) 1.690 5.156 ( -2.593 -1.072 -7.669) 8.166 5.348 ( -1.093 4.490 0.758) 4.683 5.467 ( -2.019 -0.439 -1.715) 2.686 5.713 ( -1.659 -3.903 -4.639) 6.285 5.992 ( -1.196 6.693 0.441) 6.813 6.235 ( 3.654 4.030 0.899) 5.514 6.652 ( 3.738 -2.303 1.643) 4.688 6.721 ( 2.404 -3.171 -0.540) 4.016 6.959 ( 3.362 1.181 -1.406) 3.831 7.034 ( -1.372 2.187 -0.603) 2.651 7.265 ( -0.832 3.855 -5.621) 6.867 7.659 ( 1.292 -2.384 1.857) 3.286 7.896 ( -5.149 -3.723 1.676) 6.572 8.461 ( 0.974 9.407 0.428) 9.467 8.666 ( -1.995 5.554 -0.481) 5.921 8.894 ( -3.158 5.735 -0.408) 6.559 9.100 ( 1.160 -0.629 9.947) 10.034 9.946 ( 0.169 -6.902 -0.857) 6.957 10.038 ( -0.125 -7.651 1.548) 7.807 11.291 ( 5.948 7.876 0.068) 9.870 11.627 ( 6.783 2.998 -0.599) 7.440 11.685 ( -0.842 5.991 -1.618) 6.263 11.724 ( -0.699 5.809 2.966) 6.559 13.005 ( 0.278 10.338 0.479) 10.352 13.111 ( -0.117 -1.807 -3.406) 3.858 13.480 ( -2.154 -3.148 2.483) 4.551 13.936 ( 3.861 -5.943 -6.735) 9.777 14.759 ( 0.296 -15.645 -2.390) 15.829 14.882 ( 1.010 -18.570 -1.219) 18.638 15.033 ( 1.622 -9.174 3.131) 9.829 15.238 ( 2.797 -9.980 -2.838) 10.746 18.691 ( 2.325 24.068 -1.576) 24.232 18.863 ( 4.656 23.285 -2.035) 23.833 21.437 ( 2.326 -9.785 0.656) 10.079 21.460 ( -1.000 -10.177 2.759) 10.592 26.132 ( -0.144 11.486 2.440) 11.743 26.290 ( 0.850 13.349 -2.411) 13.592 26.776 ( 2.924 19.401 6.017) 20.522 27.324 ( 17.037 15.232 -11.066) 25.391 27.994 ( -1.590 -0.564 -0.219) 1.701 28.198 ( -5.055 1.941 -7.077) 8.911 28.794 ( 1.893 -3.188 1.850) 4.144 29.046 ( -5.542 -5.349 0.899) 7.755 29.243 ( -1.082 -1.951 -0.834) 2.381 29.619 ( -23.369 -19.086 -2.783) 30.300 30.023 ( 13.706 -8.181 4.885) 16.692 30.666 ( -4.967 -17.922 10.870) 21.541 ======================= Grid point 126 (58/114) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -2.095 10.927 -0.643) 11.144 1.532 ( 3.493 11.495 -11.122) 16.371 1.975 ( -1.256 12.342 -8.313) 14.934 2.339 ( -1.258 17.060 -9.892) 19.761 2.408 ( 3.344 10.739 4.968) 12.295 2.686 ( 2.740 1.405 -0.415) 3.107 2.993 ( 1.699 3.768 6.942) 8.079 3.031 ( -0.281 -0.862 -1.003) 1.352 3.267 ( 0.367 7.610 -1.969) 7.869 3.438 ( -4.522 5.947 4.900) 8.934 3.659 ( -1.235 6.879 4.712) 8.429 3.779 ( -0.621 -4.824 3.557) 6.025 3.873 ( -0.174 1.639 6.789) 6.986 4.085 ( 0.593 -7.741 5.473) 9.499 4.290 ( 2.387 1.742 0.152) 2.959 4.521 ( -2.968 3.244 4.200) 6.081 4.588 ( 2.135 2.293 -3.969) 5.057 4.719 ( 0.946 6.102 -3.502) 7.099 4.868 ( -3.284 1.132 -2.066) 4.042 5.008 ( 0.229 -3.733 -6.936) 7.880 5.323 ( 0.120 -2.708 -1.463) 3.081 5.601 ( -0.466 -1.738 -2.773) 3.306 5.705 ( 0.054 8.804 0.575) 8.823 6.111 ( -1.294 1.856 -1.734) 2.850 6.437 ( -1.063 13.126 -0.717) 13.189 6.615 ( 1.483 3.323 0.436) 3.665 6.822 ( 0.598 3.594 1.957) 4.136 7.017 ( -3.403 2.714 -0.377) 4.369 7.113 ( 6.777 0.720 -0.012) 6.815 7.385 ( 1.690 3.615 -6.448) 7.583 7.631 ( 0.498 -2.187 0.232) 2.255 7.745 ( -1.680 1.694 0.409) 2.421 8.659 ( -4.585 2.471 1.868) 5.533 8.751 ( 2.725 9.548 1.444) 10.033 8.934 ( -2.388 5.512 1.627) 6.223 9.044 ( 2.511 -5.791 0.044) 6.312 9.856 ( -1.708 -3.347 4.813) 6.106 9.975 ( 1.249 1.336 1.251) 2.216 11.534 ( 0.075 8.039 -1.499) 8.178 11.686 ( 1.343 0.923 0.371) 1.671 11.795 ( -1.861 6.199 0.810) 6.523 11.871 ( 1.319 4.173 0.882) 4.465 12.965 ( -2.254 -7.301 3.186) 8.279 13.264 ( 0.327 4.494 -6.610) 8.000 13.418 ( -0.363 3.499 0.209) 3.524 13.772 ( 1.121 -13.676 -1.553) 13.809 14.295 ( -0.266 -22.541 -1.891) 22.621 14.394 ( 0.414 -20.251 0.575) 20.264 14.919 ( -0.554 -6.874 1.262) 7.011 15.077 ( 1.408 -10.660 -2.824) 11.117 19.270 ( -0.246 28.092 -1.322) 28.124 19.428 ( 0.152 24.886 -2.190) 24.983 21.172 ( -1.919 -14.055 1.516) 14.266 21.215 ( 1.337 -14.985 0.705) 15.061 26.400 ( -0.093 14.053 1.252) 14.109 26.597 ( 0.243 14.792 -2.112) 14.944 27.203 ( 0.914 15.092 7.346) 16.810 27.568 ( -1.812 -0.137 -3.614) 4.045 28.014 ( 1.337 0.086 -0.098) 1.343 28.217 ( -0.242 4.173 -13.065) 13.717 28.729 ( 0.381 -11.022 4.111) 11.770 28.852 ( -2.287 -3.587 -1.231) 4.429 29.087 ( -1.766 -2.087 5.092) 5.780 29.218 ( 0.114 -3.814 -1.263) 4.019 30.032 ( 4.656 -9.559 -1.153) 10.696 30.239 ( -1.505 -12.601 7.026) 14.505 ======================= Grid point 127 (59/114) ======================= q-point: ( 0.11 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 5.709 6.190 -2.160) 8.693 1.661 ( 8.653 7.638 -6.304) 13.151 2.012 ( 5.157 9.226 -9.901) 14.482 2.279 ( -1.767 22.069 -3.697) 22.446 2.526 ( 5.515 8.846 0.829) 10.457 2.769 ( 4.834 3.073 -1.604) 5.948 3.017 ( 0.752 2.737 1.808) 3.365 3.041 ( 1.028 1.188 2.192) 2.697 3.282 ( 0.216 13.441 -1.206) 13.497 3.387 ( 0.157 2.793 6.962) 7.503 3.674 ( 3.691 -0.401 4.409) 5.764 3.840 ( 5.279 -3.244 2.497) 6.681 3.943 ( 5.420 1.566 4.900) 7.473 4.140 ( 3.871 -6.033 4.537) 8.483 4.320 ( -0.457 2.335 1.745) 2.950 4.474 ( -1.069 2.531 1.347) 3.060 4.610 ( -0.097 4.075 -4.093) 5.777 4.751 ( 2.665 -0.048 -0.470) 2.707 4.827 ( 4.646 -1.348 -2.552) 5.470 5.086 ( 4.731 1.141 -6.325) 7.981 5.337 ( 1.199 2.379 -0.380) 2.691 5.587 ( -1.128 -1.490 -4.408) 4.788 5.680 ( -2.173 5.480 0.206) 5.899 6.033 ( -5.441 0.177 1.709) 5.706 6.418 ( -0.841 14.499 -0.667) 14.539 6.648 ( 0.817 4.517 -0.930) 4.683 6.770 ( -4.505 0.983 0.756) 4.673 6.938 ( -3.607 2.767 0.608) 4.587 7.261 ( 6.049 -0.909 -0.627) 6.149 7.397 ( 0.234 4.504 -5.533) 7.138 7.659 ( 2.189 -3.805 -1.971) 4.812 7.789 ( 6.113 3.730 2.247) 7.506 8.558 ( -5.441 0.895 2.232) 5.949 8.805 ( 1.189 7.481 0.715) 7.608 8.909 ( 1.110 6.870 2.475) 7.386 9.117 ( 4.452 -2.247 -0.615) 5.025 9.811 ( -2.627 -3.813 3.174) 5.614 9.999 ( 0.803 0.971 2.216) 2.549 11.465 ( -6.698 7.219 0.061) 9.848 11.690 ( -1.015 4.823 0.619) 4.967 11.760 ( -1.660 6.700 -2.321) 7.282 11.881 ( -0.259 2.474 2.275) 3.371 12.926 ( -1.733 -8.778 1.695) 9.106 13.255 ( -0.530 2.754 -5.307) 6.002 13.433 ( 1.618 6.278 -0.178) 6.486 13.784 ( 0.111 -13.509 -0.410) 13.516 14.293 ( 0.063 -22.547 -1.864) 22.624 14.404 ( 0.592 -19.967 0.423) 19.980 14.900 ( -1.236 -7.023 0.853) 7.181 15.092 ( 0.049 -9.545 -1.945) 9.741 19.235 ( -3.199 28.683 -1.370) 28.894 19.392 ( -2.996 25.474 -1.229) 25.679 21.131 ( -2.243 -13.618 1.033) 13.840 21.232 ( 0.241 -15.102 0.837) 15.127 26.409 ( 0.962 14.615 1.030) 14.683 26.610 ( 0.973 15.643 -1.852) 15.782 27.182 ( -3.383 15.030 7.088) 16.958 27.455 ( -8.405 3.478 -4.526) 10.159 28.038 ( 1.663 1.639 0.660) 2.426 28.213 ( 0.408 1.663 -9.299) 9.456 28.654 ( -4.479 -7.646 2.719) 9.269 28.885 ( 1.703 -7.893 1.440) 8.202 29.160 ( 7.103 -1.963 0.760) 7.408 29.274 ( 6.240 -4.273 -0.117) 7.564 30.007 ( -4.619 -9.250 -2.348) 10.602 30.336 ( 8.261 -15.227 6.309) 18.437 ======================= Grid point 128 (60/114) ======================= q-point: ( 0.22 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 5.436 3.341 -2.133) 6.728 1.812 ( 6.382 4.358 -2.469) 8.113 2.098 ( 2.580 11.304 -6.171) 13.134 2.328 ( 6.537 17.228 -2.131) 18.549 2.608 ( 3.665 4.448 -0.573) 5.792 2.825 ( 1.112 7.425 -1.510) 7.658 3.037 ( -0.817 0.496 0.463) 1.062 3.062 ( 2.653 4.843 -0.540) 5.548 3.285 ( 1.833 12.715 -0.079) 12.847 3.437 ( 3.141 -0.294 5.509) 6.349 3.774 ( 4.794 -3.142 5.057) 7.644 3.936 ( 2.304 -0.578 3.013) 3.837 4.006 ( -0.624 4.783 1.375) 5.016 4.195 ( 0.358 3.208 2.052) 3.825 4.317 ( 3.600 -4.050 -0.463) 5.439 4.465 ( 2.454 1.826 1.602) 3.452 4.633 ( 2.170 -1.803 -3.221) 4.282 4.875 ( 7.733 2.485 -0.288) 8.128 5.007 ( 9.768 -2.998 0.519) 10.231 5.153 ( 4.228 -1.040 -4.935) 6.582 5.374 ( 2.809 11.049 0.758) 11.425 5.546 ( -2.186 -1.103 -2.835) 3.745 5.653 ( -0.275 0.072 -1.744) 1.767 5.938 ( -3.739 -2.440 4.128) 6.080 6.401 ( -0.858 12.115 -1.525) 12.241 6.606 ( -4.579 2.528 -2.649) 5.863 6.694 ( -2.194 0.425 0.578) 2.308 6.915 ( 0.484 1.700 0.952) 2.007 7.298 ( -1.134 5.977 -2.135) 6.448 7.417 ( 1.483 2.651 -1.042) 3.211 7.731 ( 5.369 -2.127 -2.506) 6.295 7.941 ( 8.190 3.152 1.799) 8.958 8.458 ( -4.758 -1.086 1.142) 5.012 8.793 ( -1.641 5.864 0.741) 6.135 8.967 ( 3.625 6.202 3.352) 7.928 9.203 ( 4.035 4.008 -1.303) 5.835 9.770 ( -1.477 -5.163 1.028) 5.468 10.002 ( -0.674 0.349 2.343) 2.463 11.312 ( -7.955 7.836 1.716) 11.297 11.610 ( -7.024 7.888 -1.100) 10.619 11.755 ( 1.133 3.950 -1.551) 4.393 11.878 ( 0.104 3.721 1.526) 4.023 12.903 ( -0.615 -9.539 -0.341) 9.565 13.249 ( 0.109 2.321 -4.632) 5.182 13.463 ( 1.092 6.018 1.179) 6.229 13.782 ( -0.135 -12.235 1.098) 12.285 14.295 ( 0.195 -21.999 -1.965) 22.088 14.415 ( 0.330 -19.158 0.228) 19.162 14.878 ( -0.866 -6.846 0.606) 6.927 15.076 ( -1.523 -7.197 -0.688) 7.388 19.163 ( -3.405 28.906 -0.795) 29.117 19.334 ( -2.656 26.347 -0.333) 26.483 21.091 ( -1.778 -13.740 0.335) 13.858 21.226 ( -0.772 -15.098 0.760) 15.137 26.433 ( 1.336 15.959 0.549) 16.024 26.626 ( 0.580 17.564 -1.203) 17.614 27.092 ( -5.466 15.154 4.890) 16.836 27.284 ( -8.128 8.807 -3.345) 12.442 28.087 ( 3.115 1.178 0.422) 3.357 28.231 ( 1.664 -1.537 -3.799) 4.424 28.595 ( -1.902 -7.527 1.315) 7.874 28.859 ( -3.951 -9.327 0.942) 10.173 29.331 ( 9.921 -3.858 0.721) 10.669 29.430 ( 8.358 -5.141 0.170) 9.814 29.922 ( -3.329 -6.279 -3.629) 7.980 30.485 ( 6.228 -17.814 4.052) 19.301 ======================= Grid point 129 (61/114) ======================= q-point: ( 0.33 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 3.448 1.398 -4.476) 5.820 1.894 ( 2.694 4.943 3.244) 6.497 2.126 ( 0.470 10.106 -2.673) 10.464 2.422 ( 1.613 8.727 2.438) 9.204 2.699 ( 5.856 1.310 -3.115) 6.761 2.858 ( 2.772 15.101 0.397) 15.358 3.005 ( -1.204 -1.372 -5.331) 5.635 3.120 ( 2.842 7.576 -0.443) 8.104 3.346 ( 3.238 8.694 0.432) 9.288 3.494 ( 2.029 1.533 1.857) 3.149 3.821 ( -1.023 2.339 1.925) 3.197 3.899 ( -3.672 3.251 2.560) 5.532 3.957 ( -2.499 0.729 1.500) 3.005 4.173 ( -1.170 3.078 0.854) 3.402 4.459 ( 8.499 -4.492 -0.749) 9.642 4.575 ( 5.902 -4.490 0.842) 7.464 4.701 ( 5.609 -0.214 -0.625) 5.648 4.955 ( 0.726 3.475 -1.230) 3.757 5.054 ( -3.015 0.125 -1.566) 3.400 5.262 ( 3.588 2.764 2.384) 5.119 5.481 ( 5.813 1.917 0.699) 6.160 5.515 ( -0.634 -0.709 -1.409) 1.700 5.676 ( 3.453 -0.557 -2.044) 4.051 5.927 ( 3.103 -0.900 3.399) 4.690 6.382 ( -1.232 5.652 -3.188) 6.605 6.530 ( -2.451 1.823 -1.219) 3.289 6.681 ( 0.649 0.619 0.506) 1.030 6.916 ( -0.841 -0.304 -0.294) 0.942 7.269 ( -1.218 11.627 -2.564) 11.969 7.433 ( 0.162 2.040 2.192) 2.999 7.848 ( 6.005 0.733 0.096) 6.050 8.072 ( 4.543 3.735 0.031) 5.881 8.386 ( -2.193 -3.594 -0.651) 4.261 8.753 ( -2.332 5.605 0.680) 6.108 9.038 ( 3.448 6.514 3.447) 8.136 9.257 ( 1.330 8.397 -1.074) 8.569 9.761 ( 0.650 -6.057 -0.962) 6.167 9.976 ( -1.981 -0.939 1.848) 2.867 11.188 ( -4.350 7.570 2.007) 8.959 11.453 ( -8.346 8.126 0.076) 11.649 11.782 ( 1.433 3.056 -2.608) 4.266 11.888 ( 0.800 5.267 1.000) 5.420 12.903 ( 0.763 -9.833 -2.464) 10.165 13.249 ( -0.150 1.959 -4.318) 4.744 13.472 ( -0.180 4.995 4.392) 6.654 13.784 ( 0.337 -10.519 1.403) 10.618 14.299 ( 0.335 -21.249 -2.109) 21.356 14.413 ( -0.488 -18.316 0.086) 18.323 14.871 ( 0.138 -6.212 0.399) 6.227 15.039 ( -2.086 -5.665 0.229) 6.042 19.118 ( -1.132 27.993 -0.337) 28.018 19.291 ( -1.810 26.851 -0.014) 26.912 21.064 ( -0.937 -14.083 -0.230) 14.116 21.206 ( -1.174 -14.984 0.664) 15.044 26.460 ( 1.377 17.600 -0.009) 17.654 26.624 ( -0.930 19.404 -0.339) 19.429 26.998 ( -3.845 14.350 2.496) 15.064 27.154 ( -5.063 12.523 -1.649) 13.608 28.153 ( 3.520 -0.990 -0.275) 3.667 28.263 ( 1.366 -3.152 -0.921) 3.556 28.575 ( -0.218 -7.693 0.571) 7.717 28.762 ( -5.423 -9.175 0.218) 10.660 29.505 ( 6.760 -2.640 0.627) 7.284 29.575 ( 6.439 -7.567 2.533) 10.254 29.884 ( -0.371 -5.660 -5.153) 7.663 30.573 ( 2.731 -17.908 2.434) 18.278 ======================= Grid point 130 (62/114) ======================= q-point: ( 0.44 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -3.713 -0.285 -7.685) 8.540 1.964 ( 3.920 2.811 5.497) 7.313 2.126 ( 1.242 8.309 3.046) 8.937 2.410 ( -2.300 8.443 4.167) 9.692 2.784 ( 1.695 1.773 -4.675) 5.279 2.910 ( 2.373 9.356 3.601) 10.302 3.025 ( 3.394 3.513 -7.142) 8.653 3.149 ( -0.505 9.575 -2.510) 9.911 3.374 ( -1.399 10.221 -0.459) 10.326 3.493 ( -1.172 5.389 -4.104) 6.874 3.774 ( -2.093 6.166 -0.325) 6.520 3.869 ( 1.128 2.602 6.072) 6.701 3.948 ( 0.822 -2.040 1.155) 2.485 4.155 ( -1.260 -1.378 1.912) 2.672 4.606 ( 5.612 -5.428 -0.059) 7.808 4.632 ( 0.806 -2.606 -1.488) 3.108 4.820 ( 4.219 2.006 -1.148) 4.811 4.925 ( -1.744 3.175 -1.206) 3.818 4.998 ( -1.241 -1.612 1.220) 2.372 5.301 ( 1.024 -2.442 2.131) 3.399 5.486 ( 0.106 -1.285 1.061) 1.670 5.533 ( -1.385 -1.907 1.617) 2.858 5.775 ( 4.493 4.462 -4.009) 7.495 6.021 ( 4.259 2.635 2.914) 5.795 6.344 ( -2.379 -0.158 -2.628) 3.548 6.506 ( -0.258 3.551 -0.696) 3.628 6.710 ( 1.778 -0.412 -0.029) 1.825 6.890 ( -1.293 -1.214 -1.118) 2.097 7.246 ( -1.312 12.561 -2.272) 12.832 7.429 ( -0.764 3.113 3.660) 4.865 7.934 ( 1.978 4.063 2.392) 5.113 8.101 ( -1.123 2.956 0.188) 3.168 8.391 ( 2.828 -4.255 -2.959) 5.904 8.717 ( -0.901 4.535 0.348) 4.637 9.101 ( 2.581 7.642 2.626) 8.483 9.252 ( -1.623 10.094 -0.228) 10.226 9.788 ( 1.814 -5.011 -2.189) 5.762 9.936 ( -1.813 -2.637 1.560) 3.560 11.151 ( 0.345 6.429 1.554) 6.623 11.309 ( -5.900 8.085 1.236) 10.084 11.804 ( 0.928 2.944 -3.217) 4.458 11.904 ( 0.677 5.946 0.830) 6.042 12.932 ( 2.346 -9.745 -4.540) 11.004 13.234 ( -1.326 1.317 -3.014) 3.546 13.465 ( -0.723 4.907 6.389) 8.088 13.793 ( 0.356 -9.741 1.271) 9.830 14.306 ( 0.495 -20.476 -2.381) 20.620 14.399 ( -0.857 -17.877 0.208) 17.899 14.880 ( 0.556 -5.030 0.081) 5.061 15.003 ( -1.384 -5.899 0.797) 6.112 19.113 ( 0.423 27.079 -0.383) 27.085 19.263 ( -1.066 27.110 0.268) 27.132 21.055 ( 0.058 -14.369 -0.588) 14.382 21.187 ( -0.753 -14.848 0.671) 14.882 26.486 ( 1.265 18.953 -0.597) 19.004 26.594 ( -1.726 19.882 0.487) 19.963 26.954 ( -0.814 13.716 1.192) 13.791 27.086 ( -1.855 14.482 -0.795) 14.622 28.217 ( 2.698 -3.147 -0.130) 4.148 28.270 ( -0.697 -3.514 -0.358) 3.600 28.586 ( 1.016 -7.110 0.568) 7.205 28.671 ( -3.161 -9.158 -0.422) 9.697 29.588 ( 2.244 1.322 0.917) 2.761 29.659 ( 1.320 -9.551 2.754) 10.028 29.903 ( 2.205 -8.630 -5.014) 10.221 30.597 ( -0.225 -16.834 1.690) 16.921 ======================= Grid point 131 (63/114) ======================= q-point: (-0.44 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -7.308 0.457 -4.158) 8.420 2.005 ( 0.809 0.377 0.964) 1.314 2.199 ( 3.060 8.889 3.928) 10.188 2.362 ( -1.508 9.483 3.453) 10.204 2.772 ( -2.014 2.468 -2.587) 4.104 2.945 ( 0.160 10.169 0.337) 10.176 3.054 ( -2.472 2.801 -4.786) 6.071 3.106 ( -2.202 10.658 -1.227) 10.952 3.302 ( -3.486 9.628 -2.342) 10.504 3.507 ( 2.806 7.878 -5.349) 9.927 3.739 ( -1.987 5.491 4.736) 7.519 3.946 ( 4.401 4.593 2.429) 6.809 3.965 ( 1.622 -2.153 0.517) 2.745 4.117 ( -2.289 -4.406 3.377) 6.005 4.586 ( -3.842 -2.849 -3.524) 5.942 4.684 ( 1.111 -6.969 0.812) 7.103 4.815 ( -3.787 0.468 -1.728) 4.189 4.959 ( 3.205 2.075 -0.274) 3.828 5.011 ( 2.507 1.758 1.387) 3.361 5.327 ( 1.954 -6.747 2.628) 7.500 5.476 ( -3.281 -1.933 0.751) 3.882 5.512 ( 0.894 0.710 1.220) 1.671 5.800 ( -1.361 7.968 -3.994) 9.016 6.029 ( -4.072 0.364 2.890) 5.007 6.322 ( 1.119 -0.612 -2.189) 2.534 6.510 ( 0.344 4.189 -1.216) 4.375 6.721 ( -1.040 -0.651 -0.088) 1.230 6.881 ( 0.652 -0.926 -1.031) 1.532 7.210 ( -2.362 12.007 -2.089) 12.414 7.406 ( -1.655 4.564 4.368) 6.530 7.902 ( -4.913 3.927 -1.503) 6.467 8.076 ( -0.954 3.031 3.700) 4.877 8.474 ( 5.358 -3.273 -4.183) 7.545 8.723 ( 1.066 3.304 1.492) 3.779 9.114 ( -2.105 6.327 2.088) 6.987 9.219 ( -0.995 10.806 0.025) 10.852 9.807 ( -0.068 -4.145 -2.358) 4.769 9.928 ( 1.165 -2.361 1.736) 3.154 11.182 ( 1.531 7.500 2.602) 8.085 11.253 ( 1.352 5.423 -0.094) 5.590 11.816 ( 0.485 3.627 -2.634) 4.508 11.909 ( -0.369 6.033 0.544) 6.068 12.991 ( 3.939 -9.008 -6.185) 11.615 13.195 ( -2.434 0.533 -0.758) 2.604 13.453 ( -0.660 5.437 5.632) 7.856 13.795 ( -0.306 -10.147 1.424) 10.251 14.313 ( 0.226 -20.329 -2.699) 20.509 14.387 ( -0.260 -17.381 0.513) 17.391 14.886 ( -0.046 -4.331 0.041) 4.332 14.993 ( 0.320 -6.908 0.841) 6.966 19.128 ( 0.988 27.081 -0.454) 27.103 19.251 ( -0.099 27.176 0.339) 27.178 21.066 ( 0.996 -14.526 -0.685) 14.577 21.181 ( 0.128 -14.808 0.767) 14.829 26.495 ( -0.706 19.197 -0.757) 19.225 26.579 ( 0.546 19.426 0.665) 19.445 26.962 ( 1.543 13.713 1.253) 13.856 27.081 ( 1.482 14.890 -0.873) 14.989 28.205 ( -3.558 -4.377 -0.190) 5.644 28.280 ( 1.372 -2.466 -0.267) 2.835 28.584 ( -0.811 -7.765 0.440) 7.819 28.679 ( 3.632 -8.776 -0.328) 9.504 29.595 ( -2.589 -1.187 0.792) 2.956 29.646 ( -1.022 -4.888 2.508) 5.588 29.932 ( 0.176 -11.792 -4.808) 12.736 30.571 ( -2.406 -15.576 1.858) 15.870 ======================= Grid point 132 (64/114) ======================= q-point: (-0.33 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -4.139 5.908 -2.895) 7.773 2.005 ( -1.899 1.178 0.841) 2.388 2.169 ( -4.164 14.589 -0.797) 15.192 2.379 ( 1.166 4.747 0.402) 4.904 2.715 ( -3.757 4.947 -2.322) 6.632 2.829 ( -10.006 8.824 -1.749) 13.455 3.019 ( -3.091 4.186 -5.531) 7.594 3.072 ( 0.927 8.728 3.252) 9.360 3.271 ( -0.599 5.916 1.004) 6.030 3.591 ( 5.655 7.199 -4.081) 10.023 3.694 ( -2.588 6.412 6.946) 9.801 3.953 ( -0.212 -0.181 -1.542) 1.566 4.043 ( 1.664 2.194 5.635) 6.272 4.118 ( 3.014 -1.436 0.744) 3.421 4.480 ( -7.184 -1.795 -2.806) 7.918 4.638 ( -6.904 -8.259 1.451) 10.862 4.716 ( -4.435 -4.606 -0.932) 6.462 4.993 ( 0.083 3.036 0.860) 3.157 5.058 ( 0.819 6.014 -1.841) 6.342 5.336 ( -7.590 -3.221 -2.764) 8.696 5.395 ( 0.309 -5.482 4.383) 7.026 5.535 ( 1.122 3.773 -0.022) 3.936 5.763 ( -1.907 6.835 -3.559) 7.939 5.924 ( -3.820 -4.838 4.033) 7.366 6.380 ( 4.525 2.632 -3.121) 6.094 6.508 ( -0.484 5.220 -1.640) 5.493 6.684 ( -1.964 0.461 0.342) 2.046 6.907 ( 1.601 0.350 -0.116) 1.643 7.160 ( -2.230 10.649 -2.185) 11.097 7.375 ( -1.517 5.260 3.571) 6.536 7.790 ( -5.473 2.699 -3.919) 7.253 8.046 ( -2.940 1.877 3.487) 4.932 8.582 ( 5.556 -1.022 -3.419) 6.603 8.741 ( 0.469 4.120 2.702) 4.950 9.040 ( -4.620 1.734 3.225) 5.895 9.202 ( -1.473 10.296 -0.952) 10.444 9.801 ( 0.078 -4.476 -1.155) 4.623 9.961 ( 1.547 -0.213 1.962) 2.507 11.223 ( 3.747 9.745 3.916) 11.150 11.349 ( 7.066 1.673 -2.487) 7.676 11.822 ( 0.200 4.828 -1.316) 5.008 11.891 ( -1.359 5.728 0.368) 5.899 13.069 ( 3.460 -7.589 -4.532) 9.493 13.148 ( -1.670 0.455 -1.662) 2.399 13.446 ( -0.216 4.960 3.681) 6.181 13.781 ( -1.144 -10.783 1.545) 10.953 14.313 ( -0.008 -20.968 -2.711) 21.143 14.387 ( 0.049 -17.097 0.673) 17.111 14.885 ( 0.211 -5.346 0.445) 5.369 15.009 ( 1.068 -7.204 0.210) 7.286 19.153 ( 1.808 27.898 -0.447) 27.960 19.263 ( 1.380 27.032 0.097) 27.067 21.093 ( 1.779 -14.605 -0.499) 14.721 21.190 ( 0.714 -14.855 0.923) 14.901 26.469 ( -1.583 17.763 -0.023) 17.833 26.600 ( 1.024 18.829 -0.257) 18.859 27.011 ( 3.178 14.489 2.586) 15.057 27.150 ( 5.824 13.337 -1.810) 14.665 28.122 ( -4.543 -2.666 -0.308) 5.276 28.289 ( -0.468 -2.188 -0.819) 2.383 28.584 ( 0.919 -8.503 0.460) 8.565 28.772 ( 5.382 -9.170 0.250) 10.635 29.483 ( -7.898 -4.420 0.561) 9.068 29.642 ( -0.492 -2.988 3.747) 4.818 29.891 ( -3.889 -10.714 -6.815) 13.280 30.510 ( -3.836 -14.722 2.962) 15.499 ======================= Grid point 133 (65/114) ======================= q-point: (-0.22 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 1.444 13.231 -5.764) 14.505 1.879 ( -11.017 8.074 -1.273) 13.718 2.105 ( -2.601 15.308 0.305) 15.531 2.359 ( -3.101 1.997 -6.314) 7.312 2.606 ( -7.727 13.632 -0.138) 15.670 2.682 ( -2.931 -2.011 -2.742) 4.489 2.967 ( -1.305 5.799 1.184) 6.061 3.078 ( -1.236 2.876 0.677) 3.203 3.264 ( -0.044 7.672 0.752) 7.709 3.615 ( -2.886 1.696 2.186) 3.998 3.706 ( 1.080 6.966 5.771) 9.110 3.959 ( -0.281 -2.530 2.832) 3.808 4.064 ( 0.339 4.893 2.293) 5.414 4.143 ( -1.335 4.438 0.982) 4.738 4.327 ( -6.308 1.732 -0.183) 6.544 4.459 ( -9.498 -6.554 0.679) 11.560 4.657 ( -1.373 -4.329 -2.549) 5.208 4.934 ( -8.069 0.693 0.863) 8.145 5.009 ( -4.922 5.200 0.222) 7.164 5.149 ( -6.751 -5.153 -5.104) 9.908 5.413 ( -1.689 -4.411 -0.192) 4.727 5.545 ( 2.109 5.208 0.439) 5.636 5.723 ( -1.999 3.108 -5.049) 6.257 5.953 ( 5.360 -2.932 5.008) 7.899 6.456 ( 1.202 12.049 -0.454) 12.118 6.529 ( 4.801 1.319 -4.108) 6.455 6.662 ( -0.228 1.616 0.815) 1.825 6.940 ( 2.330 2.572 0.654) 3.531 7.129 ( -1.153 6.984 -1.791) 7.302 7.354 ( -0.650 4.410 0.325) 4.470 7.701 ( -3.569 3.048 -3.932) 6.122 7.956 ( -6.266 -0.788 2.758) 6.892 8.669 ( 2.770 5.465 -0.262) 6.133 8.750 ( 0.872 3.229 0.303) 3.359 8.959 ( -3.351 -3.551 4.442) 6.601 9.150 ( -3.734 7.788 -1.209) 8.721 9.818 ( 1.616 -3.751 0.772) 4.156 9.978 ( -0.017 0.650 2.389) 2.476 11.335 ( 7.122 9.898 3.111) 12.585 11.496 ( 7.650 -0.099 -3.117) 8.262 11.825 ( 0.187 6.204 0.220) 6.210 11.862 ( -1.444 5.044 0.299) 5.255 13.062 ( -2.697 -4.745 3.634) 6.557 13.182 ( 3.788 0.890 -8.829) 9.649 13.447 ( 0.010 2.555 1.452) 2.938 13.757 ( -1.082 -11.313 1.070) 11.415 14.311 ( -0.159 -21.625 -2.566) 21.777 14.387 ( -0.058 -18.059 0.846) 18.079 14.898 ( 0.994 -6.481 0.869) 6.614 15.029 ( 0.981 -7.917 -0.870) 8.025 19.199 ( 2.787 28.446 -0.934) 28.597 19.308 ( 3.325 26.724 -0.187) 26.930 21.133 ( 2.278 -14.714 -0.127) 14.889 21.203 ( 0.416 -14.836 1.185) 14.889 26.438 ( -1.545 15.934 0.603) 16.021 26.610 ( -0.037 17.254 -1.188) 17.294 27.080 ( 3.693 15.424 4.143) 16.393 27.307 ( 10.098 9.543 -2.676) 14.149 28.041 ( -3.496 -0.561 -0.090) 3.541 28.267 ( -1.487 -1.008 -3.052) 3.541 28.616 ( 2.173 -8.539 1.023) 8.870 28.871 ( 4.170 -9.794 0.951) 10.687 29.318 ( -8.352 -2.685 0.339) 8.780 29.570 ( -8.989 -11.593 1.900) 14.793 29.831 ( 0.208 -2.438 -5.272) 5.812 30.427 ( -4.862 -14.456 4.408) 15.876 ======================= Grid point 134 (66/114) ======================= q-point: (-0.11 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 2.099 15.432 -8.262) 17.630 1.627 ( -12.551 11.464 -3.868) 17.434 2.042 ( -4.080 14.904 -1.923) 15.571 2.304 ( -0.124 5.764 -9.219) 10.873 2.472 ( -5.814 12.228 1.164) 13.590 2.664 ( 0.088 0.112 -0.372) 0.398 2.966 ( 0.751 4.462 5.167) 6.868 3.045 ( -1.380 1.050 -0.457) 1.793 3.266 ( 0.016 7.558 -0.528) 7.577 3.541 ( -5.138 1.941 2.442) 6.010 3.679 ( -2.044 7.026 5.975) 9.447 3.871 ( -7.232 -3.088 2.905) 8.383 3.968 ( -8.100 3.063 7.311) 11.333 4.111 ( -2.756 -3.040 4.117) 5.813 4.283 ( -2.253 -2.117 0.798) 3.193 4.409 ( 7.956 11.146 -2.789) 13.976 4.666 ( 0.976 1.637 -3.125) 3.661 4.733 ( -9.415 -3.462 0.520) 10.045 4.913 ( -3.640 1.066 -0.578) 3.837 5.072 ( -3.182 -3.431 -6.050) 7.649 5.353 ( -3.099 -4.900 -2.549) 6.333 5.600 ( 1.528 2.277 2.345) 3.608 5.692 ( 0.047 6.025 -5.293) 8.020 6.068 ( 5.030 0.999 1.414) 5.320 6.454 ( -0.575 13.056 -0.100) 13.069 6.601 ( 0.717 0.832 -1.461) 1.828 6.722 ( 7.006 4.205 0.964) 8.228 7.009 ( 4.182 2.917 -0.130) 5.100 7.091 ( -2.989 3.584 -0.122) 4.668 7.355 ( 0.996 3.893 -4.044) 5.701 7.647 ( -1.828 2.472 -2.265) 3.819 7.827 ( -6.219 -1.917 2.041) 6.820 8.692 ( 0.477 10.510 1.624) 10.645 8.752 ( -1.621 1.874 0.051) 2.478 8.938 ( 0.999 -4.136 3.372) 5.429 9.066 ( -4.173 3.359 -0.744) 5.408 9.855 ( 1.556 -3.190 3.500) 4.984 9.968 ( -0.626 1.014 1.747) 2.114 11.471 ( 5.838 9.296 0.635) 10.996 11.624 ( 5.178 -1.017 -1.923) 5.616 11.825 ( -0.859 5.861 3.088) 6.680 11.846 ( 0.485 5.463 -1.279) 5.632 13.010 ( -2.621 -5.557 3.758) 7.202 13.240 ( 2.351 4.538 -7.577) 9.140 13.438 ( -1.079 0.906 0.206) 1.424 13.751 ( 0.629 -12.527 -0.575) 12.555 14.304 ( -0.439 -22.089 -2.202) 22.203 14.388 ( 0.185 -19.588 0.786) 19.604 14.917 ( 0.674 -6.816 1.307) 6.973 15.050 ( 1.309 -9.554 -2.294) 9.912 19.250 ( 2.137 28.191 -1.345) 28.304 19.384 ( 3.867 25.809 -1.230) 26.126 21.177 ( 2.034 -14.896 0.325) 15.038 21.202 ( -0.602 -14.562 1.483) 14.650 26.412 ( -1.110 14.517 1.079) 14.600 26.602 ( -0.478 15.498 -1.878) 15.619 27.153 ( 3.382 15.552 5.792) 16.937 27.502 ( 8.352 3.324 -3.175) 9.534 27.998 ( -0.548 0.931 -0.330) 1.130 28.236 ( -1.247 1.480 -7.829) 8.065 28.669 ( 3.282 -8.800 2.099) 9.624 28.907 ( -0.938 -7.789 1.175) 7.933 29.190 ( -4.896 -2.835 0.511) 5.681 29.326 ( -12.955 -8.357 -0.179) 15.417 29.902 ( 6.316 -3.758 -0.715) 7.384 30.326 ( -5.634 -14.070 5.318) 16.062 ======================= Grid point 135 (67/114) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -3.753 6.007 -5.595) 9.026 1.685 ( 0.384 3.496 -6.155) 7.089 2.223 ( -1.105 11.910 -6.774) 13.746 2.572 ( 2.370 5.711 -4.267) 7.512 2.648 ( 1.819 0.921 -1.405) 2.476 2.790 ( 3.145 15.361 -4.676) 16.362 2.959 ( 1.164 -2.628 -2.208) 3.624 3.117 ( -0.963 3.704 6.045) 7.155 3.368 ( 1.582 2.895 0.653) 3.363 3.499 ( -3.519 -1.213 4.811) 6.083 3.707 ( 0.804 0.462 1.966) 2.173 3.746 ( -2.447 2.399 3.508) 4.904 3.894 ( 0.332 -1.896 1.366) 2.360 4.025 ( -0.404 2.089 5.549) 5.943 4.279 ( 1.492 -0.699 1.497) 2.226 4.449 ( -3.800 -6.507 2.832) 8.050 4.615 ( 1.093 0.502 -0.088) 1.206 4.812 ( -4.788 -2.664 -2.068) 5.856 4.953 ( -2.459 4.544 1.038) 5.270 4.981 ( 7.269 4.431 0.398) 8.522 5.235 ( 1.441 -3.208 -1.778) 3.941 5.510 ( 0.496 -8.382 1.617) 8.551 5.827 ( -1.138 5.604 -5.044) 7.625 6.088 ( -1.053 -3.949 -6.049) 7.300 6.693 ( 1.679 9.170 1.026) 9.379 6.749 ( 2.180 5.983 0.726) 6.409 6.942 ( -2.254 6.636 3.585) 7.872 7.070 ( -3.083 1.248 1.036) 3.484 7.139 ( 3.105 3.046 -0.917) 4.445 7.360 ( 0.292 -4.648 -1.925) 5.039 7.706 ( -0.570 8.608 0.786) 8.662 7.885 ( 1.426 9.232 -5.429) 10.804 8.594 ( -3.496 -5.565 3.084) 7.260 8.788 ( 2.178 -8.122 -3.728) 9.199 9.041 ( 0.177 9.585 3.165) 10.096 9.159 ( 0.225 10.492 -0.311) 10.499 9.810 ( -1.530 0.386 5.527) 5.748 10.011 ( 1.017 -0.338 -0.881) 1.388 11.689 ( 0.916 3.859 -0.430) 3.990 11.711 ( 0.245 4.452 -0.241) 4.465 11.882 ( 1.158 1.605 2.314) 3.045 11.959 ( -1.050 3.772 0.901) 4.017 12.835 ( -3.145 -3.261 3.932) 5.998 13.191 ( -0.834 -9.918 -5.447) 11.346 13.329 ( 1.422 -15.230 -0.996) 15.329 13.439 ( 0.908 -13.616 -1.502) 13.728 14.078 ( 0.011 4.645 -2.129) 5.109 14.227 ( 0.171 2.085 1.737) 2.719 14.742 ( -0.434 -9.216 -0.008) 9.226 14.834 ( 0.984 -11.943 -0.729) 12.006 19.850 ( -0.154 26.743 -0.922) 26.760 19.947 ( 0.104 24.327 -0.723) 24.338 20.825 ( -1.000 -19.064 -0.322) 19.093 20.862 ( 0.780 -18.585 0.945) 18.625 26.685 ( -0.074 12.485 0.311) 12.489 26.862 ( 0.329 8.463 -0.639) 8.494 27.411 ( -0.173 5.339 -0.439) 5.360 27.578 ( -0.275 0.898 3.239) 3.373 28.038 ( 0.577 3.019 1.600) 3.465 28.252 ( -0.552 -1.354 -6.394) 6.559 28.533 ( 1.224 -5.495 0.568) 5.658 28.714 ( -1.275 -9.071 0.594) 9.179 29.083 ( -0.421 1.227 1.550) 2.021 29.156 ( -0.228 -2.101 -1.023) 2.347 29.909 ( 1.318 -2.376 -0.720) 2.811 30.032 ( -0.450 -7.495 2.718) 7.986 ======================= Grid point 136 (68/114) ======================= q-point: ( 0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 3.387 6.305 -4.834) 8.637 1.758 ( 6.273 1.552 -4.584) 7.923 2.231 ( 2.322 11.435 -7.067) 13.641 2.598 ( 0.518 0.711 -4.535) 4.619 2.658 ( 0.022 8.517 -3.808) 9.329 2.885 ( 5.381 8.248 -2.712) 10.215 2.993 ( 2.014 -0.745 -5.356) 5.771 3.134 ( 2.600 3.357 6.353) 7.641 3.421 ( 2.095 2.983 4.159) 5.531 3.492 ( 2.490 1.888 4.537) 5.509 3.687 ( -1.493 4.108 4.044) 5.955 3.794 ( 5.721 -1.322 2.193) 6.268 3.962 ( 6.405 -1.200 -0.414) 6.530 4.051 ( 1.891 -0.169 5.235) 5.568 4.278 ( -0.313 -2.204 1.888) 2.919 4.455 ( -0.298 -4.320 0.858) 4.414 4.644 ( 4.604 -1.663 -0.860) 4.970 4.714 ( -0.474 -4.046 0.170) 4.077 4.928 ( -0.190 9.825 1.395) 9.925 5.119 ( 4.737 2.626 0.997) 5.507 5.299 ( 4.936 -3.582 -1.274) 6.231 5.527 ( 1.007 -6.453 -0.016) 6.531 5.759 ( -5.095 4.029 -3.671) 7.461 6.004 ( -6.683 -3.857 -4.372) 8.869 6.676 ( -2.661 7.953 -0.252) 8.390 6.763 ( -3.124 2.854 -1.656) 4.544 6.857 ( -3.967 8.512 2.107) 9.624 6.995 ( -3.192 1.971 1.503) 4.042 7.262 ( 7.238 1.513 0.042) 7.395 7.409 ( 5.012 -3.426 -1.589) 6.276 7.715 ( 0.582 9.418 -0.316) 9.441 7.947 ( 5.311 8.560 -2.860) 10.472 8.514 ( -4.695 -2.908 1.851) 5.824 8.811 ( 0.139 -8.908 -1.626) 9.056 9.042 ( 0.845 9.564 2.121) 9.833 9.220 ( 4.931 7.961 -0.026) 9.365 9.777 ( -1.839 1.992 3.668) 4.561 10.028 ( 0.531 -0.535 0.461) 0.884 11.630 ( -5.416 8.054 0.634) 9.726 11.731 ( 0.924 0.714 -1.723) 2.082 11.894 ( -1.958 2.423 4.480) 5.456 11.927 ( -0.625 3.664 -0.894) 3.823 12.781 ( -2.416 -3.306 1.587) 4.391 13.166 ( -1.237 -12.082 -3.556) 12.656 13.351 ( 0.676 -13.673 -1.498) 13.772 13.450 ( 0.396 -14.372 -0.654) 14.392 14.092 ( 1.405 5.658 -1.904) 6.133 14.248 ( 1.748 2.631 1.616) 3.548 14.723 ( -1.280 -9.061 -0.120) 9.152 14.856 ( 1.061 -12.256 -0.478) 12.311 19.824 ( -2.473 26.985 -0.969) 27.115 19.927 ( -1.786 25.115 -0.376) 25.181 20.792 ( -2.141 -18.643 -0.002) 18.765 20.871 ( -0.021 -19.176 0.532) 19.184 26.706 ( 2.038 12.986 0.181) 13.146 26.895 ( 2.868 9.277 -0.502) 9.723 27.378 ( -3.104 4.555 -0.182) 5.515 27.531 ( -4.249 3.777 2.566) 6.237 28.056 ( 1.221 1.207 1.805) 2.491 28.223 ( -1.721 -1.507 -5.292) 5.765 28.517 ( -2.489 -3.904 -0.649) 4.676 28.690 ( -1.410 -9.854 1.889) 10.132 29.143 ( 5.634 0.313 0.366) 5.654 29.206 ( 5.383 -2.358 -0.608) 5.908 29.900 ( -1.445 -1.333 -0.819) 2.130 30.082 ( 4.402 -9.417 2.425) 10.675 ======================= Grid point 137 (69/114) ======================= q-point: ( 0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 3.427 5.542 -3.739) 7.513 1.869 ( 4.431 0.243 -2.904) 5.304 2.294 ( 3.437 9.080 -5.306) 11.064 2.599 ( 0.072 1.471 -5.445) 5.641 2.655 ( 0.011 5.903 -4.645) 7.512 2.949 ( 0.389 -2.741 -6.391) 6.965 3.060 ( 6.283 9.589 -1.083) 11.515 3.205 ( 4.081 5.707 2.677) 7.510 3.446 ( 0.257 3.071 9.827) 10.299 3.533 ( 2.174 6.639 1.281) 7.102 3.722 ( 4.197 0.028 4.306) 6.013 3.889 ( 2.167 -3.300 3.601) 5.344 4.059 ( 1.232 0.954 1.113) 1.915 4.140 ( 7.370 -4.401 0.505) 8.599 4.243 ( -1.833 -2.401 1.196) 3.249 4.438 ( 0.647 -5.866 0.035) 5.902 4.746 ( 1.170 7.790 1.996) 8.126 4.833 ( 8.980 -4.036 -0.811) 9.878 4.962 ( 5.947 2.746 -1.414) 6.701 5.214 ( 6.162 4.531 3.160) 8.275 5.393 ( 4.258 -4.689 -1.089) 6.427 5.541 ( -0.081 -2.879 0.925) 3.025 5.662 ( -3.652 1.065 -2.089) 4.340 5.865 ( -5.294 -5.387 -2.713) 8.026 6.606 ( -4.483 5.558 -2.183) 7.467 6.659 ( -5.384 1.776 -3.287) 6.554 6.784 ( -3.908 7.927 0.489) 8.851 6.954 ( -1.975 1.001 1.540) 2.697 7.396 ( 6.310 3.794 0.598) 7.387 7.546 ( 8.251 2.798 -1.476) 8.837 7.716 ( 0.177 7.257 -1.338) 7.381 8.068 ( 6.084 4.982 1.008) 7.928 8.419 ( -4.877 -0.090 0.670) 4.923 8.791 ( -2.032 -7.264 0.721) 7.577 9.092 ( 4.117 8.129 0.976) 9.164 9.317 ( 4.591 3.523 -0.072) 5.788 9.749 ( -0.954 4.653 1.204) 4.900 10.026 ( -0.966 -0.202 1.525) 1.816 11.510 ( -6.375 10.673 0.610) 12.447 11.727 ( -2.432 2.457 -1.441) 3.745 11.825 ( -2.900 3.272 3.283) 5.468 11.935 ( 0.538 1.161 -0.434) 1.351 12.746 ( -1.153 -3.842 -1.673) 4.346 13.143 ( -1.076 -14.344 -3.326) 14.764 13.354 ( -0.191 -12.104 1.206) 12.166 13.459 ( 0.608 -15.389 -0.173) 15.402 14.126 ( 1.961 6.908 -1.519) 7.340 14.288 ( 1.976 4.345 1.407) 4.976 14.700 ( -0.827 -9.399 -0.158) 9.436 14.867 ( -0.106 -12.028 -0.075) 12.028 19.764 ( -3.197 27.650 -0.696) 27.842 19.890 ( -1.877 26.093 -0.074) 26.161 20.749 ( -2.068 -18.819 -0.065) 18.932 20.862 ( -0.836 -19.531 0.375) 19.552 26.757 ( 3.015 14.238 -0.091) 14.554 26.960 ( 3.336 11.639 -0.112) 12.108 27.301 ( -4.437 5.046 0.567) 6.743 27.435 ( -5.142 6.280 0.889) 8.165 28.084 ( 1.385 -1.293 1.737) 2.570 28.197 ( -0.602 -2.023 -3.558) 4.137 28.463 ( -2.533 -3.794 -0.662) 4.610 28.642 ( -3.611 -10.184 1.607) 10.924 29.277 ( 7.636 -1.065 0.392) 7.720 29.341 ( 7.590 -3.468 -0.768) 8.380 29.874 ( -1.001 1.376 -0.949) 1.949 30.172 ( 4.325 -12.289 1.737) 13.144 ======================= Grid point 138 (70/114) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 0.742 3.327 -6.170) 7.049 1.919 ( 0.878 -2.124 -1.013) 2.512 2.332 ( 0.770 9.939 -1.840) 10.137 2.586 ( -1.120 6.144 -4.682) 7.806 2.685 ( 3.407 -2.093 -2.879) 4.927 2.910 ( -3.005 -6.611 -6.705) 9.884 3.212 ( 7.319 15.801 -2.300) 17.565 3.289 ( 4.552 7.558 2.409) 9.146 3.469 ( 2.409 2.757 9.123) 9.831 3.592 ( 3.143 6.473 -0.956) 7.259 3.809 ( 3.464 -1.046 5.701) 6.752 3.896 ( 0.473 -1.792 3.057) 3.575 4.016 ( -4.784 1.769 1.211) 5.242 4.168 ( -0.936 -2.066 -0.502) 2.323 4.359 ( 8.004 -5.010 -2.183) 9.692 4.465 ( 1.772 -7.142 1.247) 7.463 4.716 ( -1.840 4.541 2.058) 5.314 4.918 ( -0.247 -3.301 0.167) 3.315 5.089 ( 3.705 2.490 -2.437) 5.086 5.298 ( 0.094 -0.936 2.974) 3.120 5.466 ( 1.786 -2.054 -0.166) 2.726 5.505 ( -2.456 -0.846 1.342) 2.924 5.677 ( 7.568 1.210 -0.312) 7.670 5.899 ( 8.217 -4.060 -1.997) 9.381 6.498 ( -6.081 5.163 -3.877) 8.869 6.581 ( -2.609 1.450 -2.787) 4.084 6.735 ( -0.826 4.706 0.150) 4.780 6.902 ( -3.081 -1.520 0.505) 3.473 7.496 ( 3.509 6.798 0.921) 7.706 7.640 ( 0.585 18.888 -0.429) 18.902 7.801 ( 9.394 -4.796 -1.650) 10.675 8.140 ( 0.361 -1.012 2.247) 2.490 8.343 ( -2.469 2.877 0.896) 3.896 8.737 ( -3.474 -7.054 1.929) 8.096 9.189 ( 5.381 8.250 0.593) 9.867 9.396 ( 3.550 2.180 -0.524) 4.199 9.742 ( 0.243 5.511 -0.458) 5.535 9.988 ( -2.961 0.121 1.646) 3.389 11.403 ( -4.305 12.567 0.358) 13.288 11.627 ( -6.339 7.932 2.100) 10.368 11.817 ( 1.046 0.456 -0.943) 1.480 11.944 ( 0.340 -0.768 -0.100) 0.846 12.736 ( 0.282 -4.800 -4.849) 6.829 13.122 ( -0.889 -16.221 -3.500) 16.618 13.349 ( -0.473 -10.528 4.636) 11.513 13.471 ( 0.453 -15.919 0.165) 15.926 14.164 ( 2.034 8.159 -1.201) 8.494 14.314 ( 0.449 6.034 1.162) 6.161 14.698 ( 0.622 -9.962 -0.072) 9.982 14.851 ( -1.436 -11.603 0.262) 11.695 19.714 ( -1.757 27.855 -0.391) 27.913 19.857 ( -1.468 26.519 0.024) 26.560 20.716 ( -1.235 -19.091 -0.238) 19.132 20.843 ( -1.060 -19.592 0.330) 19.624 26.816 ( 2.936 15.550 -0.378) 15.829 27.005 ( 0.795 14.637 0.514) 14.667 27.223 ( -3.073 6.585 1.240) 7.372 27.351 ( -3.215 6.741 -0.751) 7.506 28.110 ( 1.232 -3.048 1.384) 3.567 28.191 ( -0.167 -3.659 -2.188) 4.266 28.430 ( -0.619 -4.891 -0.245) 4.936 28.562 ( -4.315 -8.945 0.749) 9.959 29.419 ( 6.405 -2.967 1.027) 7.133 29.474 ( 5.739 -4.089 -0.970) 7.113 29.860 ( -0.409 3.384 -1.048) 3.566 30.241 ( 2.633 -13.741 1.126) 14.036 ======================= Grid point 139 (71/114) ======================= q-point: ( 0.44 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -3.137 2.452 -8.415) 9.310 1.923 ( 0.338 -4.912 -2.057) 5.336 2.354 ( 2.142 11.914 1.736) 12.229 2.559 ( -1.557 5.864 -1.162) 6.178 2.745 ( 1.516 -3.450 -4.348) 5.754 2.872 ( 0.286 -7.750 -4.404) 8.919 3.293 ( 1.793 13.509 1.146) 13.675 3.363 ( 1.304 8.497 0.320) 8.603 3.543 ( 3.737 6.029 4.025) 8.156 3.627 ( 0.421 7.261 -0.011) 7.274 3.839 ( 0.707 0.073 2.737) 2.828 3.905 ( -2.868 1.574 0.931) 3.402 3.986 ( 4.289 4.151 1.642) 6.191 4.128 ( -2.967 -0.135 1.433) 3.298 4.448 ( 1.428 -6.829 -0.836) 7.027 4.510 ( 1.726 -8.739 -1.418) 9.020 4.723 ( 2.380 -5.424 2.045) 6.266 4.841 ( -5.165 -6.925 0.797) 8.676 5.129 ( 1.294 6.317 0.080) 6.449 5.259 ( -2.898 -1.756 1.182) 3.589 5.462 ( -0.276 -0.877 0.441) 1.020 5.487 ( -0.110 -1.260 0.946) 1.579 5.870 ( 8.395 3.494 -0.765) 9.126 6.049 ( 4.464 -2.330 -0.723) 5.087 6.391 ( -4.053 4.873 -3.845) 7.413 6.546 ( -0.880 -0.566 -2.931) 3.112 6.742 ( 1.070 3.119 0.241) 3.306 6.854 ( -1.488 -2.183 -0.324) 2.662 7.521 ( -0.708 10.316 1.272) 10.418 7.646 ( 0.552 17.915 -0.606) 17.934 7.986 ( 6.969 -0.422 1.807) 7.212 8.095 ( -3.000 -2.911 -1.751) 4.532 8.325 ( 0.076 -0.158 2.936) 2.941 8.668 ( -3.141 -8.724 2.746) 9.670 9.284 ( 3.640 9.508 -0.410) 10.189 9.443 ( 0.784 5.545 -0.078) 5.600 9.762 ( 1.759 2.954 -1.616) 3.799 9.924 ( -2.962 -0.144 1.597) 3.368 11.350 ( -1.113 12.452 0.193) 12.503 11.518 ( -4.580 11.313 2.786) 12.519 11.844 ( 1.651 0.168 -2.150) 2.716 11.948 ( 0.037 -2.393 0.287) 2.411 12.755 ( 2.084 -5.692 -7.449) 9.603 13.107 ( -0.507 -15.768 -2.794) 16.022 13.340 ( -0.606 -10.435 6.132) 12.118 13.472 ( -0.496 -16.133 0.876) 16.164 14.199 ( 1.329 9.277 -1.031) 9.429 14.308 ( -0.677 6.334 0.969) 6.443 14.722 ( 1.592 -9.791 0.048) 9.920 14.815 ( -2.021 -11.622 0.443) 11.805 19.697 ( -0.042 27.570 -0.345) 27.572 19.834 ( -0.882 26.683 0.140) 26.698 20.703 ( -0.115 -19.233 -0.401) 19.237 20.825 ( -0.664 -19.522 0.360) 19.537 26.867 ( 2.217 16.326 -0.815) 16.496 26.987 ( -2.063 15.766 1.256) 15.950 27.193 ( -0.327 8.540 1.545) 8.685 27.312 ( -0.800 6.635 -1.662) 6.887 28.128 ( 0.206 -4.508 1.319) 4.701 28.186 ( 0.054 -4.597 -1.605) 4.869 28.439 ( 1.183 -6.060 0.329) 6.183 28.487 ( -2.844 -7.434 -0.163) 7.961 29.506 ( 2.122 -4.191 1.293) 4.872 29.557 ( 2.746 -4.418 -0.982) 5.294 29.855 ( -0.118 4.266 -1.003) 4.384 30.273 ( 0.552 -13.955 0.785) 13.988 ======================= Grid point 140 (72/114) ======================= q-point: (-0.44 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.883 5.554 -7.111) 9.472 1.940 ( 1.479 -5.938 -2.980) 6.806 2.404 ( 1.976 10.321 0.790) 10.538 2.531 ( -0.985 6.977 -0.641) 7.075 2.733 ( -1.950 -3.938 -4.007) 5.947 2.906 ( 2.276 -7.856 -5.209) 9.697 3.288 ( -3.823 9.855 -0.719) 10.595 3.347 ( -0.697 9.513 4.610) 10.595 3.515 ( -6.204 11.459 0.151) 13.032 3.674 ( 3.729 7.963 2.127) 9.046 3.833 ( -1.275 -0.630 3.053) 3.368 3.889 ( 1.112 2.616 -0.726) 2.934 4.026 ( -3.145 -0.087 1.396) 3.442 4.118 ( 4.299 4.461 3.659) 7.195 4.436 ( -2.223 -9.807 -1.109) 10.117 4.499 ( -2.060 -8.530 -1.895) 8.977 4.713 ( -2.807 -5.252 1.911) 6.254 4.887 ( 8.559 -7.110 0.515) 11.139 5.126 ( -1.381 4.101 0.874) 4.414 5.217 ( -1.552 -3.256 0.538) 3.647 5.441 ( -2.256 -0.211 -0.216) 2.276 5.513 ( 2.351 -0.758 1.761) 3.034 5.933 ( -1.979 3.106 -0.663) 3.742 6.026 ( -6.613 -1.905 -0.811) 6.930 6.365 ( 1.878 4.786 -3.650) 6.305 6.547 ( 1.047 -1.457 -2.944) 3.448 6.758 ( 0.323 3.489 -0.208) 3.510 6.854 ( 1.643 -1.416 -0.260) 2.185 7.492 ( -2.106 12.676 1.013) 12.890 7.651 ( -0.469 18.209 0.809) 18.233 7.930 ( -7.412 -1.899 -1.875) 7.878 8.146 ( 2.214 3.477 3.495) 5.404 8.351 ( 3.536 -6.686 -0.879) 7.614 8.645 ( 0.893 -9.561 4.257) 10.504 9.294 ( -3.130 10.005 -1.581) 10.602 9.432 ( -1.358 7.214 1.016) 7.411 9.780 ( -0.234 1.753 -2.121) 2.761 9.917 ( 2.434 -0.473 1.918) 3.135 11.357 ( 1.820 10.547 0.168) 10.705 11.464 ( -0.799 13.349 2.227) 13.557 11.876 ( 1.648 0.488 -1.609) 2.354 11.943 ( -0.577 -3.072 0.329) 3.143 12.812 ( 4.097 -6.134 -9.236) 11.821 13.096 ( -0.625 -12.156 -0.264) 12.175 13.333 ( -0.162 -12.293 4.680) 13.155 13.451 ( -1.705 -16.688 1.596) 16.850 14.203 ( -1.033 9.121 -1.068) 9.241 14.304 ( 0.253 6.281 0.994) 6.365 14.737 ( -0.678 -9.435 -0.025) 9.459 14.793 ( 0.404 -11.954 0.525) 11.973 19.708 ( 1.210 27.406 -0.389) 27.436 19.825 ( -0.039 26.828 0.185) 26.829 20.711 ( 0.931 -19.274 -0.452) 19.302 20.819 ( 0.082 -19.546 0.411) 19.551 26.880 ( -1.437 16.448 -1.227) 16.557 26.964 ( 0.219 15.631 1.677) 15.722 27.202 ( 1.193 8.595 1.556) 8.816 27.314 ( 0.988 6.507 -1.683) 6.793 28.109 ( -1.838 -3.864 0.759) 4.346 28.202 ( 1.328 -5.051 -1.036) 5.324 28.427 ( -1.442 -5.936 0.223) 6.113 28.502 ( 3.262 -7.709 -0.067) 8.371 29.499 ( -2.788 -3.473 0.866) 4.537 29.577 ( -0.821 -5.567 -0.512) 5.651 29.852 ( -0.257 4.252 -1.073) 4.393 30.264 ( -1.415 -13.462 0.812) 13.560 ======================= Grid point 141 (73/114) ======================= q-point: (-0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 1.991 9.754 -5.389) 11.320 1.969 ( 1.071 -4.538 -1.729) 4.973 2.413 ( -0.884 8.491 -0.078) 8.537 2.512 ( -1.355 8.772 -6.217) 10.837 2.675 ( -3.700 -4.192 -3.474) 6.583 2.933 ( 0.321 -5.776 -6.958) 9.048 3.157 ( -8.408 11.012 -2.083) 14.010 3.307 ( -6.099 8.454 5.443) 11.760 3.412 ( -1.345 9.248 4.017) 10.172 3.714 ( -0.551 4.548 1.765) 4.910 3.819 ( -0.681 0.045 2.819) 2.900 3.885 ( -1.439 3.581 4.835) 6.187 4.011 ( 3.582 -1.253 1.559) 4.102 4.187 ( 1.155 0.031 0.908) 1.469 4.384 ( -4.255 -6.836 -2.700) 8.493 4.437 ( -3.076 -9.976 0.612) 10.457 4.678 ( -0.627 4.671 2.040) 5.136 5.007 ( 0.482 -2.333 0.067) 2.383 5.104 ( -2.635 -0.923 -1.750) 3.295 5.206 ( 1.880 -6.962 0.847) 7.261 5.367 ( -4.866 1.640 0.053) 5.136 5.536 ( -1.416 -3.302 3.139) 4.771 5.835 ( -7.238 -1.575 1.243) 7.511 5.876 ( -3.842 0.494 -3.978) 5.552 6.438 ( 4.929 3.901 -2.950) 6.944 6.577 ( 2.024 -0.586 -2.893) 3.579 6.773 ( 1.901 6.572 -0.936) 6.905 6.910 ( 3.657 -0.332 0.483) 3.703 7.436 ( -3.857 13.424 0.612) 13.981 7.601 ( -5.439 15.118 1.784) 16.166 7.812 ( -3.153 -0.397 -3.853) 4.995 8.113 ( -4.688 3.523 3.440) 6.799 8.464 ( 6.993 -7.462 -1.289) 10.307 8.684 ( 2.052 -8.017 4.086) 9.229 9.190 ( -6.282 10.226 -0.585) 12.016 9.384 ( -3.742 5.092 0.129) 6.320 9.781 ( 0.759 3.099 -0.531) 3.235 9.974 ( 2.342 -0.413 1.693) 2.920 11.418 ( 4.277 7.799 0.496) 8.909 11.491 ( 3.400 13.408 0.902) 13.862 11.902 ( 0.669 -0.733 0.929) 1.360 11.930 ( -0.367 -0.814 -1.014) 1.351 12.897 ( 4.448 -5.926 -8.799) 11.503 13.081 ( -0.623 -7.763 1.788) 7.990 13.343 ( 1.031 -14.076 1.829) 14.232 13.410 ( -2.411 -17.922 1.746) 18.167 14.169 ( -2.061 7.426 -1.259) 7.809 14.305 ( -0.586 6.223 1.199) 6.364 14.716 ( -0.817 -10.277 -0.091) 10.310 14.814 ( 1.095 -11.194 0.303) 11.251 19.742 ( 2.221 27.453 -0.503) 27.547 19.835 ( 1.142 26.842 0.138) 26.866 20.737 ( 1.747 -19.265 -0.369) 19.347 20.828 ( 0.716 -19.612 0.459) 19.630 26.829 ( -3.227 15.688 -0.531) 16.025 26.968 ( -0.618 14.404 0.720) 14.435 27.248 ( 3.424 7.459 1.307) 8.310 27.351 ( 2.994 5.632 -0.869) 6.437 28.072 ( -1.806 -1.397 0.588) 2.358 28.224 ( 0.828 -4.499 -1.425) 4.791 28.418 ( 0.538 -5.496 -0.095) 5.523 28.577 ( 4.232 -9.032 0.629) 9.994 29.410 ( -6.062 -1.914 0.530) 6.379 29.520 ( -5.018 -6.847 -0.405) 8.499 29.845 ( -0.341 4.154 -1.185) 4.333 30.221 ( -2.941 -12.593 1.198) 12.987 ======================= Grid point 142 (74/114) ======================= q-point: (-0.22 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( 3.686 11.146 -4.919) 12.729 1.941 ( -5.035 -0.615 -1.974) 5.443 2.364 ( -4.266 6.092 -2.549) 7.862 2.488 ( 0.183 12.863 -9.375) 15.918 2.606 ( -2.309 -4.981 -3.400) 6.458 2.881 ( -5.519 4.891 -3.142) 8.016 3.016 ( -4.442 4.971 -2.860) 7.255 3.199 ( -3.984 5.343 5.208) 8.458 3.410 ( -0.464 6.603 3.975) 7.721 3.662 ( -3.913 1.155 1.340) 4.294 3.793 ( -1.977 2.181 4.474) 5.355 3.870 ( -1.263 -1.323 5.949) 6.224 4.076 ( -2.904 -1.404 0.642) 3.289 4.166 ( -1.990 -1.804 2.007) 3.353 4.279 ( -2.987 -5.063 -0.238) 5.883 4.412 ( 0.947 -4.423 0.563) 4.558 4.677 ( -0.352 7.034 0.947) 7.106 4.925 ( -8.731 0.879 -0.892) 8.821 4.973 ( -7.846 -4.993 -0.397) 9.308 5.163 ( -4.553 2.229 -0.251) 5.075 5.319 ( -3.449 -2.659 -0.364) 4.371 5.500 ( 0.636 -8.068 3.906) 8.987 5.770 ( 0.320 1.407 -4.078) 4.326 5.905 ( 6.099 -2.861 -1.906) 7.001 6.536 ( 4.968 3.115 -1.070) 5.961 6.626 ( 3.411 1.188 -2.941) 4.658 6.833 ( 3.798 9.951 -0.455) 10.661 6.983 ( 3.653 0.974 1.225) 3.974 7.342 ( -5.763 11.986 0.175) 13.301 7.475 ( -6.113 5.436 -0.361) 8.189 7.788 ( -0.503 5.254 -2.463) 5.824 7.995 ( -6.906 4.514 1.414) 8.370 8.590 ( 5.393 -7.963 0.941) 9.663 8.711 ( 0.671 -6.408 0.591) 6.470 9.081 ( -4.347 11.272 1.071) 12.128 9.299 ( -4.695 4.571 -0.331) 6.561 9.804 ( 1.328 2.915 1.666) 3.611 9.998 ( 0.240 -0.377 1.172) 1.254 11.518 ( 5.678 4.803 0.603) 7.461 11.583 ( 5.442 11.807 0.008) 13.001 11.891 ( -1.189 -2.487 1.907) 3.352 11.943 ( 1.181 3.012 -0.765) 3.324 12.938 ( -0.713 -4.447 -0.184) 4.508 13.106 ( 3.613 -6.566 -5.340) 9.203 13.352 ( -1.822 -16.153 3.714) 16.674 13.383 ( 1.176 -16.691 -1.898) 16.839 14.128 ( -1.994 5.679 -1.612) 6.231 14.278 ( -2.014 4.784 1.492) 5.401 14.715 ( 0.705 -10.071 -0.160) 10.097 14.827 ( 0.215 -11.087 -0.048) 11.090 19.791 ( 2.609 27.320 -0.864) 27.458 19.870 ( 2.415 26.288 0.101) 26.399 20.776 ( 2.187 -19.243 -0.282) 19.369 20.844 ( 0.737 -19.402 0.582) 19.425 26.764 ( -3.296 14.343 -0.113) 14.717 26.934 ( -2.611 11.627 -0.034) 11.916 27.323 ( 3.833 7.017 0.443) 8.008 27.434 ( 5.361 3.531 0.969) 6.492 28.044 ( -1.035 1.149 0.763) 1.724 28.235 ( 0.573 -2.828 -2.767) 3.998 28.445 ( 2.060 -5.398 -0.199) 5.781 28.658 ( 3.807 -10.094 1.305) 10.867 29.279 ( -6.927 -0.633 0.240) 6.960 29.385 ( -8.453 -6.102 -0.657) 10.446 29.844 ( 0.519 3.182 -0.897) 3.346 30.155 ( -3.810 -11.336 1.736) 12.085 ======================= Grid point 143 (75/114) ======================= q-point: (-0.11 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.705 ( -1.615 7.713 -5.665) 9.706 1.776 ( -9.930 3.568 -4.667) 11.538 2.275 ( -3.823 8.499 -6.248) 11.220 2.517 ( 2.863 12.508 -5.956) 14.146 2.602 ( 1.769 -4.089 -2.135) 4.941 2.789 ( -2.588 12.881 -2.163) 13.315 2.963 ( -1.418 -1.149 -1.867) 2.611 3.147 ( -2.096 3.991 4.922) 6.674 3.383 ( -2.156 4.580 2.267) 5.546 3.583 ( -4.349 -0.364 2.337) 4.951 3.742 ( -3.386 2.353 3.261) 5.256 3.815 ( -4.503 -0.722 4.086) 6.124 3.942 ( -5.739 -3.306 1.649) 6.825 4.082 ( -5.234 -0.188 3.210) 6.142 4.255 ( -0.442 -0.620 2.562) 2.673 4.512 ( 5.110 -3.998 1.116) 6.584 4.624 ( -6.122 -2.313 -0.409) 6.557 4.792 ( 1.296 1.460 1.336) 2.366 4.892 ( -1.035 4.442 -0.701) 4.614 5.079 ( -5.474 1.540 -0.956) 5.766 5.245 ( -2.562 -3.122 -1.621) 4.352 5.511 ( -0.361 -9.145 3.253) 9.713 5.808 ( 2.721 4.878 -5.679) 7.966 6.039 ( 5.909 -3.989 -4.012) 8.181 6.624 ( 4.220 5.592 0.881) 7.061 6.701 ( 3.565 3.493 -1.066) 5.104 6.906 ( 3.770 9.772 1.385) 10.565 7.048 ( 2.685 0.598 1.393) 3.083 7.217 ( -6.648 8.156 -0.152) 10.523 7.388 ( -2.813 -0.514 -2.012) 3.496 7.752 ( -3.350 6.151 0.744) 7.043 7.892 ( -2.463 8.050 -3.541) 9.132 8.640 ( -0.832 -8.332 4.705) 9.605 8.738 ( 2.722 -5.989 -4.995) 8.260 9.034 ( -0.608 11.676 2.774) 12.016 9.209 ( -4.242 7.099 -0.406) 8.280 9.823 ( 0.143 1.064 4.674) 4.796 9.998 ( 0.202 -0.198 -0.510) 0.583 11.624 ( 4.840 2.167 -0.112) 5.304 11.678 ( 3.739 9.632 0.075) 10.333 11.874 ( -0.439 -0.724 1.926) 2.104 11.961 ( 0.567 3.641 0.361) 3.703 12.895 ( -3.051 -3.512 4.252) 6.302 13.179 ( 2.943 -6.876 -8.980) 11.687 13.318 ( -0.924 -18.013 2.812) 18.254 13.415 ( 1.640 -13.928 -1.975) 14.163 14.093 ( -1.361 4.553 -2.005) 5.158 14.241 ( -1.580 3.005 1.717) 3.805 14.735 ( 1.025 -9.668 -0.081) 9.722 14.826 ( -0.084 -11.316 -0.496) 11.327 19.834 ( 1.714 26.980 -1.003) 27.053 19.921 ( 2.411 25.026 -0.331) 25.144 20.817 ( 1.733 -19.381 -0.465) 19.464 20.853 ( 0.175 -18.701 0.981) 18.727 26.708 ( -2.204 13.030 0.194) 13.217 26.883 ( -2.214 9.299 -0.490) 9.572 27.387 ( 2.530 6.521 -0.264) 6.999 27.536 ( 4.223 0.946 2.650) 5.075 28.033 ( -0.156 2.862 1.156) 3.090 28.248 ( 0.863 -1.445 -4.999) 5.275 28.491 ( 2.509 -5.431 0.227) 5.986 28.714 ( 1.555 -10.240 1.317) 10.441 29.155 ( -5.683 -0.093 0.362) 5.695 29.223 ( -6.844 -2.914 -0.668) 7.469 29.868 ( 1.986 0.620 -0.463) 2.131 30.081 ( -3.690 -9.424 2.156) 10.348 ======================= Grid point 144 (76/114) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -1.979 -2.047 -5.734) 6.402 1.696 ( -1.979 2.047 -5.734) 6.402 2.458 ( 0.326 -9.845 -3.780) 10.551 2.458 ( 0.326 9.845 -3.780) 10.551 2.812 ( 2.486 -7.916 -3.211) 8.897 2.812 ( 2.486 7.916 -3.211) 8.897 3.079 ( 0.179 -7.437 -0.576) 7.461 3.079 ( 0.179 7.437 -0.576) 7.461 3.438 ( -1.298 -3.543 4.095) 5.568 3.438 ( -1.298 3.543 4.095) 5.568 3.731 ( 0.295 -2.773 0.608) 2.855 3.731 ( 0.295 2.773 0.608) 2.855 3.985 ( -0.579 -6.548 1.535) 6.750 3.985 ( -0.579 6.548 1.535) 6.750 4.314 ( 0.256 -4.600 3.173) 5.594 4.314 ( 0.256 4.600 3.173) 5.594 4.683 ( -2.623 -6.150 -1.618) 6.879 4.683 ( -2.623 6.150 -1.618) 6.879 5.028 ( 1.734 -2.155 4.480) 5.265 5.028 ( 1.734 2.155 4.480) 5.265 5.303 ( 1.370 -9.360 1.289) 9.547 5.303 ( 1.370 9.360 1.289) 9.547 5.966 ( -0.984 -6.969 -7.069) 9.975 5.966 ( -0.984 6.969 -7.069) 9.975 6.799 ( 2.250 -1.293 0.125) 2.598 6.799 ( 2.250 1.293 0.125) 2.598 7.044 ( -1.793 -3.110 1.990) 4.105 7.044 ( -1.793 3.110 1.990) 4.105 7.248 ( -0.635 -5.820 0.464) 5.873 7.248 ( -0.635 5.820 0.464) 5.873 7.918 ( 0.710 -7.856 -2.103) 8.164 7.918 ( 0.710 7.856 -2.103) 8.164 8.598 ( -0.212 -7.245 -1.562) 7.414 8.598 ( -0.212 7.245 -1.562) 7.414 9.223 ( -0.021 -5.042 2.879) 5.806 9.223 ( -0.021 5.042 2.879) 5.806 9.916 ( 0.045 -7.800 0.073) 7.801 9.916 ( 0.045 7.800 0.073) 7.801 11.746 ( 0.382 -2.682 1.126) 2.933 11.746 ( 0.382 2.682 1.126) 2.933 11.953 ( 0.231 -4.418 1.053) 4.547 11.953 ( 0.231 4.418 1.053) 4.547 12.899 ( -2.432 -10.513 2.595) 11.098 12.899 ( -2.432 10.513 2.595) 11.098 13.226 ( 1.458 -4.193 -4.880) 6.598 13.226 ( 1.458 4.193 -4.880) 6.598 14.250 ( 0.202 -5.304 -0.121) 5.309 14.250 ( 0.202 5.304 -0.121) 5.309 14.640 ( 0.203 -3.417 -0.045) 3.423 14.640 ( 0.203 3.417 -0.045) 3.423 20.365 ( -0.209 -16.292 -0.445) 16.300 20.365 ( -0.209 16.292 -0.445) 16.300 20.449 ( 0.126 -14.883 -0.012) 14.883 20.449 ( 0.126 14.883 -0.012) 14.883 26.887 ( 0.039 -5.632 0.041) 5.633 26.887 ( 0.039 5.632 0.041) 5.633 27.525 ( -0.006 -5.626 -0.178) 5.629 27.525 ( -0.006 5.626 -0.178) 5.629 28.153 ( -0.088 -6.806 1.072) 6.890 28.153 ( -0.088 6.806 1.072) 6.890 28.542 ( 0.183 -5.637 -0.878) 5.708 28.542 ( 0.183 5.637 -0.878) 5.708 29.117 ( -0.306 -1.782 -0.071) 1.809 29.117 ( -0.306 1.782 -0.071) 1.809 29.920 ( 0.183 -3.146 0.534) 3.197 29.920 ( 0.183 3.146 0.534) 3.197 ======================= Grid point 146 (77/114) ======================= q-point: ( 0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( 4.541 -3.967 -4.663) 7.622 1.729 ( 4.541 3.967 -4.663) 7.622 2.462 ( 0.496 -9.797 -4.190) 10.666 2.462 ( 0.496 9.797 -4.190) 10.666 2.848 ( 0.827 -7.299 -5.849) 9.390 2.848 ( 0.827 7.299 -5.849) 9.390 3.113 ( 3.597 -5.593 0.818) 6.700 3.113 ( 3.597 5.593 0.818) 6.700 3.471 ( 3.496 -2.328 4.735) 6.330 3.471 ( 3.496 2.328 4.735) 6.330 3.768 ( 2.401 -2.380 2.392) 4.141 3.768 ( 2.401 2.380 2.392) 4.141 4.000 ( 2.706 -4.921 -0.104) 5.617 4.000 ( 2.706 4.921 -0.104) 5.617 4.331 ( -0.657 -6.245 2.224) 6.662 4.331 ( -0.657 6.245 2.224) 6.662 4.635 ( 1.965 -1.970 0.422) 2.814 4.635 ( 1.965 1.970 0.422) 2.814 5.101 ( 4.035 -5.913 4.644) 8.533 5.101 ( 4.035 5.913 4.644) 8.533 5.346 ( 2.814 -8.604 0.277) 9.057 5.346 ( 2.814 8.604 0.277) 9.057 5.881 ( -7.009 -6.854 -6.244) 11.623 5.881 ( -7.009 6.854 -6.244) 11.623 6.770 ( -4.630 -1.853 -1.738) 5.281 6.770 ( -4.630 1.853 -1.738) 5.281 6.990 ( -2.751 -3.029 2.115) 4.606 6.990 ( -2.751 3.029 2.115) 4.606 7.325 ( 7.007 -3.959 0.218) 8.051 7.325 ( 7.007 3.959 0.218) 8.051 7.946 ( 1.971 -9.292 -0.800) 9.533 7.946 ( 1.971 9.292 -0.800) 9.533 8.588 ( -0.675 -10.011 -1.455) 10.138 8.588 ( -0.675 10.011 -1.455) 10.138 9.233 ( 0.953 -6.423 2.452) 6.941 9.233 ( 0.953 6.423 2.452) 6.941 9.922 ( 0.547 -8.981 0.151) 8.999 9.922 ( 0.547 8.981 0.151) 8.999 11.736 ( -1.305 -1.131 1.016) 2.004 11.736 ( -1.305 1.131 1.016) 2.004 11.940 ( -1.548 -2.862 1.069) 3.425 11.940 ( -1.548 2.862 1.069) 3.425 12.853 ( -2.401 -11.169 0.852) 11.455 12.853 ( -2.401 11.169 0.852) 11.455 13.243 ( 0.589 -3.219 -3.230) 4.598 13.243 ( 0.589 3.219 -3.230) 4.598 14.275 ( 2.260 -5.758 -0.009) 6.185 14.275 ( 2.260 5.758 -0.009) 6.185 14.639 ( -0.287 -5.191 -0.056) 5.200 14.639 ( -0.287 5.191 -0.056) 5.200 20.345 ( -1.804 -19.798 -0.464) 19.885 20.345 ( -1.804 19.798 -0.464) 19.885 20.438 ( -1.054 -19.267 0.071) 19.295 20.438 ( -1.054 19.267 0.071) 19.295 26.919 ( 3.071 -6.227 0.045) 6.944 26.919 ( 3.071 6.227 0.045) 6.944 27.500 ( -2.502 -6.283 -0.045) 6.763 27.500 ( -2.502 6.283 -0.045) 6.763 28.138 ( -1.291 -5.735 0.727) 5.923 28.138 ( -1.291 5.735 0.727) 5.923 28.526 ( -1.813 -4.666 -0.603) 5.042 28.526 ( -1.813 4.666 -0.603) 5.042 29.166 ( 4.904 -1.604 -0.137) 5.162 29.166 ( 4.904 1.604 -0.137) 5.162 29.935 ( 1.316 -4.489 0.475) 4.702 29.935 ( 1.316 4.489 0.475) 4.702 ======================= Grid point 148 (78/114) ======================= q-point: ( 0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 2.972 -5.197 -3.279) 6.826 1.812 ( 2.972 5.197 -3.279) 6.826 2.483 ( 2.051 -8.391 -4.287) 9.643 2.483 ( 2.051 8.391 -4.287) 9.643 2.827 ( -2.573 -7.598 -8.149) 11.435 2.827 ( -2.573 7.598 -8.149) 11.435 3.227 ( 7.794 -3.929 1.394) 8.839 3.227 ( 7.794 3.929 1.394) 8.839 3.538 ( 2.746 -4.377 5.213) 7.340 3.538 ( 2.746 4.377 5.213) 7.340 3.797 ( 0.705 -5.140 3.710) 6.378 3.797 ( 0.705 5.140 3.710) 6.378 4.084 ( 4.308 -1.346 -0.796) 4.583 4.084 ( 4.308 1.346 -0.796) 4.583 4.281 ( -2.098 -6.764 1.991) 7.356 4.281 ( -2.098 6.764 1.991) 7.356 4.791 ( 9.892 -0.802 1.698) 10.069 4.791 ( 9.892 0.802 1.698) 10.069 5.157 ( 1.353 -10.728 2.519) 11.103 5.157 ( 1.353 10.728 2.519) 11.103 5.412 ( 4.105 -6.956 1.179) 8.163 5.412 ( 4.105 6.956 1.179) 8.163 5.735 ( -5.473 -5.710 -4.746) 9.224 5.735 ( -5.473 5.710 -4.746) 9.224 6.668 ( -5.019 -1.109 -3.601) 6.276 6.668 ( -5.019 1.109 -3.601) 6.276 6.923 ( -4.407 -4.229 1.304) 6.245 6.923 ( -4.407 4.229 1.304) 6.245 7.488 ( 9.258 -4.652 -0.479) 10.372 7.488 ( 9.258 4.652 -0.479) 10.372 7.978 ( 0.906 -11.932 1.414) 12.050 7.978 ( 0.906 11.932 1.414) 12.050 8.570 ( -1.306 -11.867 -0.614) 11.955 8.570 ( -1.306 11.867 -0.614) 11.955 9.267 ( 2.639 -6.950 1.269) 7.542 9.267 ( 2.639 6.950 1.269) 7.542 9.930 ( 0.011 -8.913 0.340) 8.920 9.930 ( 0.011 8.913 0.340) 8.920 11.701 ( -2.229 -5.517 0.785) 6.002 11.701 ( -2.229 5.517 0.785) 6.002 11.901 ( -2.312 -3.906 0.942) 4.636 11.901 ( -2.312 3.906 0.942) 4.636 12.808 ( -2.122 -11.155 -1.884) 11.510 12.808 ( -2.122 11.155 -1.884) 11.510 13.253 ( 0.588 -2.708 -0.612) 2.838 13.253 ( 0.588 2.708 -0.612) 2.838 14.330 ( 3.197 -7.230 0.230) 7.909 14.330 ( 3.197 7.230 0.230) 7.909 14.627 ( -1.002 -7.600 -0.055) 7.666 14.627 ( -1.002 7.600 -0.055) 7.666 20.299 ( -2.640 -21.814 -0.427) 21.978 20.299 ( -2.640 21.814 -0.427) 21.978 20.416 ( -1.116 -21.555 0.156) 21.584 20.416 ( -1.116 21.555 0.156) 21.584 26.995 ( 4.262 -7.169 0.085) 8.340 26.995 ( 4.262 7.169 0.085) 8.340 27.437 ( -3.585 -6.343 0.118) 7.287 27.437 ( -3.585 6.343 0.118) 7.287 28.114 ( -1.007 -4.639 0.201) 4.752 28.114 ( -1.007 4.639 0.201) 4.752 28.477 ( -2.960 -4.863 -0.236) 5.698 28.477 ( -2.960 4.863 -0.236) 5.698 29.285 ( 6.786 -1.726 -0.184) 7.005 29.285 ( 6.786 1.726 -0.184) 7.005 29.967 ( 1.757 -7.243 0.344) 7.461 29.967 ( 1.757 7.243 0.344) 7.461 ======================= Grid point 150 (79/114) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -0.792 -5.517 -4.439) 7.125 1.828 ( -0.792 5.517 -4.439) 7.125 2.536 ( 3.227 -8.570 -2.870) 9.597 2.536 ( 3.227 8.570 -2.870) 9.597 2.758 ( -3.526 -7.170 -6.320) 10.187 2.758 ( -3.526 7.170 -6.320) 10.187 3.382 ( 6.585 -1.183 0.639) 6.721 3.382 ( 6.585 1.183 0.639) 6.721 3.591 ( 3.111 -7.473 3.708) 8.903 3.591 ( 3.111 7.473 3.708) 8.903 3.825 ( 2.521 -3.220 4.136) 5.816 3.825 ( 2.521 3.220 4.136) 5.816 4.111 ( -1.014 -5.567 0.050) 5.658 4.111 ( -1.014 5.567 0.050) 5.658 4.307 ( 3.762 -3.101 0.944) 4.966 4.307 ( 3.762 3.101 0.944) 4.966 4.846 ( -5.097 -4.951 2.286) 7.465 4.846 ( -5.097 4.951 2.286) 7.465 5.188 ( 2.345 -7.308 -0.154) 7.677 5.188 ( 2.345 7.308 -0.154) 7.677 5.468 ( 0.447 -1.811 1.773) 2.573 5.468 ( 0.447 1.811 1.773) 2.573 5.769 ( 9.255 -6.856 -2.502) 11.787 5.769 ( 9.255 6.856 -2.502) 11.787 6.575 ( -4.462 -1.984 -4.231) 6.462 6.575 ( -4.462 1.984 -4.231) 6.462 6.839 ( -3.495 -4.410 0.530) 5.652 6.839 ( -3.495 4.410 0.530) 5.652 7.661 ( 7.648 -8.126 -1.851) 11.311 7.661 ( 7.648 8.126 -1.851) 11.311 7.986 ( 0.494 -12.415 3.230) 12.838 7.986 ( 0.494 12.415 3.230) 12.838 8.523 ( -3.816 -11.568 1.177) 12.238 8.523 ( -3.816 11.568 1.177) 12.238 9.344 ( 5.151 -5.723 -0.255) 7.704 9.344 ( 5.151 5.723 -0.255) 7.704 9.915 ( -1.722 -7.475 0.589) 7.693 9.915 ( -1.722 7.475 0.589) 7.693 11.656 ( -2.286 -8.516 0.470) 8.830 11.656 ( -2.286 8.516 0.470) 8.830 11.862 ( -1.526 -5.482 0.870) 5.756 11.862 ( -1.526 5.482 0.870) 5.756 12.774 ( -1.044 -10.525 -4.625) 11.544 12.774 ( -1.044 10.525 -4.625) 11.544 13.264 ( 0.371 -2.911 1.993) 3.548 13.264 ( 0.371 2.911 1.993) 3.548 14.394 ( 3.181 -8.766 0.488) 9.338 14.394 ( 3.181 8.766 0.488) 9.338 14.599 ( -1.801 -9.261 -0.073) 9.435 14.599 ( -1.801 9.261 -0.073) 9.435 20.252 ( -1.930 -20.911 -0.368) 21.003 20.252 ( -1.930 20.911 -0.368) 21.003 20.397 ( -0.826 -20.514 0.179) 20.531 20.397 ( -0.826 20.514 0.179) 20.531 27.070 ( 3.213 -7.381 0.252) 8.054 27.070 ( 3.213 7.381 0.252) 8.054 27.373 ( -2.745 -5.854 0.019) 6.466 27.373 ( -2.745 5.854 0.019) 6.466 28.101 ( -0.454 -3.422 -0.065) 3.453 28.101 ( -0.454 3.422 -0.065) 3.453 28.421 ( -2.503 -3.855 -0.064) 4.597 28.421 ( -2.503 3.855 -0.064) 4.597 29.408 ( 5.362 -1.688 -0.162) 5.624 29.408 ( 5.362 1.688 -0.162) 5.624 29.999 ( 1.395 -9.333 0.229) 9.440 29.999 ( 1.395 9.333 0.229) 9.440 ======================= Grid point 152 (80/114) ======================= q-point: ( 0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -1.564 -6.125 -6.571) 9.118 1.798 ( -1.564 6.125 -6.571) 9.118 2.589 ( 1.860 -8.453 -2.788) 9.094 2.589 ( 1.860 8.453 -2.788) 9.094 2.708 ( -1.003 -5.126 -2.201) 5.668 2.708 ( -1.003 5.126 -2.201) 5.668 3.443 ( -0.009 -1.542 1.609) 2.229 3.443 ( -0.009 1.542 1.609) 2.229 3.668 ( 3.891 -4.030 1.574) 5.819 3.668 ( 3.891 4.030 1.574) 5.819 3.900 ( 4.312 -6.132 2.968) 8.063 3.900 ( 4.312 6.132 2.968) 8.063 4.073 ( -2.589 -7.315 0.515) 7.777 4.073 ( -2.589 7.315 0.515) 7.777 4.376 ( 2.298 -1.221 -1.214) 2.872 4.376 ( 2.298 1.221 -1.214) 2.872 4.712 ( -5.438 -4.533 3.401) 7.854 4.712 ( -5.438 4.533 3.401) 7.854 5.213 ( -0.373 -2.708 -0.539) 2.786 5.213 ( -0.373 2.708 -0.539) 2.786 5.467 ( 0.177 -0.921 1.836) 2.061 5.467 ( 0.177 0.921 1.836) 2.061 5.954 ( 6.756 -5.056 -1.349) 8.545 5.954 ( 6.756 5.056 -1.349) 8.545 6.495 ( -3.091 -4.077 -4.150) 6.588 6.495 ( -3.091 4.077 -4.150) 6.588 6.804 ( -0.239 -2.577 -0.021) 2.588 6.804 ( -0.239 2.577 -0.021) 2.588 7.751 ( 1.698 -9.761 -3.073) 10.374 7.751 ( 1.698 9.761 -3.073) 10.374 8.027 ( 3.203 -5.673 4.167) 7.734 8.027 ( 3.203 5.673 4.167) 7.734 8.433 ( -4.594 -10.698 2.685) 11.949 8.433 ( -4.594 10.698 2.685) 11.949 9.443 ( 4.023 -4.672 -1.381) 6.318 9.443 ( 4.023 4.672 -1.381) 6.318 9.872 ( -2.064 -5.155 0.967) 5.636 9.872 ( -2.064 5.155 0.967) 5.636 11.619 ( -1.321 -9.036 0.244) 9.135 11.619 ( -1.321 9.036 0.244) 9.135 11.843 ( -0.484 -5.495 0.870) 5.585 11.843 ( -0.484 5.495 0.870) 5.585 12.771 ( 1.085 -9.597 -6.568) 11.680 12.771 ( 1.085 9.597 -6.568) 11.680 13.263 ( -0.706 -3.279 3.832) 5.092 13.263 ( -0.706 3.279 3.832) 5.092 14.449 ( 2.182 -8.072 0.883) 8.408 14.449 ( 2.182 8.072 0.883) 8.408 14.561 ( -1.905 -8.077 -0.323) 8.305 14.561 ( -1.905 8.077 -0.323) 8.305 20.229 ( -0.412 -19.321 -0.365) 19.329 20.229 ( -0.412 19.321 -0.365) 19.329 20.384 ( -0.487 -18.937 0.201) 18.944 20.384 ( -0.487 18.937 0.201) 18.944 27.113 ( 1.130 -5.166 0.521) 5.314 27.113 ( 1.130 5.166 0.521) 5.314 27.336 ( -1.043 -4.696 -0.261) 4.817 27.336 ( -1.043 4.696 -0.261) 4.817 28.095 ( -0.081 -2.416 -0.126) 2.421 28.095 ( -0.081 2.416 -0.126) 2.421 28.386 ( -0.939 -1.592 -0.025) 1.848 28.386 ( -0.939 1.592 -0.025) 1.848 29.482 ( 2.085 -1.669 -0.144) 2.675 29.482 ( 2.085 1.669 -0.144) 2.675 30.018 ( 0.439 -10.305 0.180) 10.316 30.018 ( 0.439 10.305 0.180) 10.316 ======================= Grid point 154 (81/114) ======================= q-point: (-0.44 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 0.665 -8.299 -6.341) 10.466 1.782 ( 0.665 8.299 -6.341) 10.466 2.596 ( -0.865 -6.180 -3.421) 7.116 2.596 ( -0.865 6.180 -3.421) 7.116 2.717 ( 1.430 -8.037 -1.862) 8.373 2.717 ( 1.430 8.037 -1.862) 8.373 3.408 ( -3.371 -2.123 1.386) 4.217 3.408 ( -3.371 2.123 1.386) 4.217 3.711 ( -0.100 -3.580 2.312) 4.262 3.711 ( -0.100 3.580 2.312) 4.262 3.929 ( -2.545 -7.314 2.392) 8.106 3.929 ( -2.545 7.314 2.392) 8.106 4.058 ( 2.290 -9.254 0.865) 9.572 4.058 ( 2.290 9.254 0.865) 9.572 4.358 ( -3.624 -4.138 -1.333) 5.660 4.358 ( -3.624 4.138 -1.333) 5.660 4.725 ( 6.354 -6.473 3.500) 9.722 4.725 ( 6.354 6.473 3.500) 9.722 5.173 ( -3.430 -1.501 -0.567) 3.786 5.173 ( -3.430 1.501 -0.567) 3.786 5.476 ( 0.022 -2.668 1.514) 3.068 5.476 ( 0.022 2.668 1.514) 3.068 5.974 ( -4.494 -2.084 -1.178) 5.092 5.974 ( -4.494 2.084 -1.178) 5.092 6.475 ( 1.285 -4.833 -3.997) 6.402 6.475 ( 1.285 4.833 -3.997) 6.402 6.819 ( 1.787 -2.135 -0.195) 2.791 6.819 ( 1.787 2.135 -0.195) 2.791 7.749 ( -1.604 -10.272 -2.813) 10.770 7.749 ( -1.604 10.272 -2.813) 10.770 8.048 ( -2.094 -12.490 3.751) 13.208 8.048 ( -2.094 12.490 3.751) 13.208 8.404 ( 2.283 -10.983 2.845) 11.573 8.404 ( 2.283 10.983 2.845) 11.573 9.459 ( -2.596 -4.385 -1.481) 5.307 9.459 ( -2.596 4.385 -1.481) 5.307 9.863 ( 1.330 -4.555 1.065) 4.863 9.863 ( 1.330 4.555 1.065) 4.863 11.609 ( 0.279 -8.726 0.229) 8.734 11.609 ( 0.279 8.726 0.229) 8.734 11.842 ( 0.323 -5.488 0.820) 5.558 11.842 ( 0.323 5.488 0.820) 5.558 12.812 ( 3.393 -8.287 -7.253) 11.524 12.812 ( 3.393 8.287 -7.253) 11.524 13.237 ( -2.080 -3.251 4.580) 5.989 13.237 ( -2.080 3.251 4.580) 5.989 14.455 ( -1.949 -5.723 1.028) 6.133 14.455 ( -1.949 5.723 1.028) 6.133 14.549 ( 1.157 -3.590 -0.468) 3.801 14.549 ( 1.157 3.590 -0.468) 3.801 20.236 ( 1.181 -18.341 -0.390) 18.383 20.236 ( 1.181 18.341 -0.390) 18.383 20.378 ( -0.089 -18.151 0.227) 18.152 20.378 ( -0.089 18.151 0.227) 18.152 27.116 ( -0.941 -3.602 0.536) 3.761 27.116 ( -0.941 3.602 0.536) 3.761 27.331 ( 0.619 -4.234 -0.277) 4.288 27.331 ( 0.619 4.234 -0.277) 4.288 28.097 ( 0.268 -3.290 -0.125) 3.303 28.097 ( 0.268 3.290 -0.125) 3.303 28.386 ( 0.914 -2.364 -0.025) 2.535 28.386 ( 0.914 2.364 -0.025) 2.535 29.485 ( -1.756 -2.172 -0.145) 2.796 29.485 ( -1.756 2.172 -0.145) 2.796 30.015 ( -0.735 -10.214 0.181) 10.243 30.015 ( -0.735 10.214 0.181) 10.243 ======================= Grid point 156 (82/114) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( 3.253 -9.101 -4.221) 10.546 1.822 ( 3.253 9.101 -4.221) 10.546 2.555 ( -3.190 -5.776 -2.648) 7.110 2.555 ( -3.190 5.776 -2.648) 7.110 2.745 ( 1.422 -10.801 -6.953) 12.924 2.745 ( 1.422 10.801 -6.953) 12.924 3.313 ( -6.351 -4.356 1.603) 7.867 3.313 ( -6.351 4.356 1.603) 7.867 3.662 ( -4.315 -8.534 2.583) 9.906 3.662 ( -4.315 8.534 2.583) 9.906 3.880 ( -1.606 -4.753 4.847) 6.976 3.880 ( -1.606 4.753 4.847) 6.976 4.118 ( 2.950 -8.215 0.463) 8.741 4.118 ( 2.950 8.215 0.463) 8.741 4.275 ( -4.109 -1.834 0.222) 4.505 4.275 ( -4.109 1.834 0.222) 4.505 4.877 ( 5.608 -10.455 4.073) 12.543 4.877 ( 5.608 10.455 4.073) 12.543 5.098 ( -2.994 -2.388 -2.500) 4.573 5.098 ( -2.994 2.388 -2.500) 4.573 5.437 ( -4.748 -4.942 1.593) 7.036 5.437 ( -4.748 4.942 1.593) 7.036 5.846 ( -5.735 -2.243 -1.799) 6.416 5.846 ( -5.735 2.243 -1.799) 6.416 6.524 ( 3.549 -3.776 -3.680) 6.355 6.524 ( 3.549 3.776 -3.680) 6.355 6.877 ( 4.096 -3.114 0.021) 5.146 6.877 ( 4.096 3.114 0.021) 5.146 7.668 ( -6.785 -7.643 -1.795) 10.377 7.668 ( -6.785 7.643 -1.795) 10.377 7.999 ( -1.960 -14.394 2.996) 14.833 7.999 ( -1.960 14.394 2.996) 14.833 8.484 ( 4.517 -9.120 1.398) 10.273 8.484 ( 4.517 9.120 1.398) 10.273 9.370 ( -5.373 -5.683 -0.428) 7.832 9.370 ( -5.373 5.683 -0.428) 7.832 9.902 ( 1.850 -6.210 0.697) 6.518 9.902 ( 1.850 6.210 0.697) 6.518 11.630 ( 1.835 -8.710 0.447) 8.913 11.630 ( 1.835 8.710 0.447) 8.913 11.858 ( 1.299 -6.526 0.735) 6.694 11.858 ( 1.299 6.526 0.735) 6.694 12.887 ( 4.214 -6.161 -6.227) 9.721 12.887 ( 4.214 6.161 -6.227) 9.721 13.192 ( -2.459 -2.219 3.743) 4.999 13.192 ( -2.459 2.219 3.743) 4.999 14.397 ( -3.597 -8.222 0.555) 8.992 14.397 ( -3.597 8.222 0.555) 8.992 14.583 ( 1.821 -7.121 -0.137) 7.351 14.583 ( 1.821 7.121 -0.137) 7.351 20.272 ( 2.351 -18.786 -0.450) 18.938 20.272 ( 2.351 18.786 -0.450) 18.938 20.382 ( 0.510 -18.781 0.261) 18.790 20.382 ( 0.510 18.781 0.261) 18.790 27.073 ( -3.373 -5.620 0.258) 6.559 27.073 ( -3.373 5.620 0.258) 6.559 27.365 ( 2.834 -4.212 0.011) 5.077 27.365 ( 2.834 4.212 0.011) 5.077 28.105 ( 0.538 -4.928 -0.063) 4.957 28.105 ( 0.538 4.928 -0.063) 4.957 28.420 ( 2.400 -5.030 -0.065) 5.574 28.420 ( 2.400 5.030 -0.065) 5.574 29.417 ( -5.083 -2.690 -0.168) 5.753 29.417 ( -5.083 2.690 -0.168) 5.753 29.991 ( -1.611 -9.246 0.235) 9.388 29.991 ( -1.611 9.246 0.235) 9.388 ======================= Grid point 158 (83/114) ======================= q-point: (-0.22 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.186 -6.358 -3.174) 7.109 1.867 ( 0.186 6.358 -3.174) 7.109 2.482 ( -3.334 -6.053 -3.885) 7.928 2.482 ( -3.334 6.053 -3.885) 7.928 2.762 ( 0.689 -11.092 -8.144) 13.778 2.762 ( 0.689 11.092 -8.144) 13.778 3.185 ( -5.971 -5.910 2.169) 8.677 3.185 ( -5.971 5.910 2.169) 8.677 3.581 ( -3.870 -7.775 2.592) 9.063 3.581 ( -3.870 7.775 2.592) 9.063 3.850 ( -2.528 -2.889 5.523) 6.726 3.850 ( -2.528 2.889 5.523) 6.726 4.104 ( -4.709 -4.608 -0.837) 6.642 4.104 ( -4.709 4.608 -0.837) 6.642 4.272 ( 4.091 -5.977 1.802) 7.464 4.272 ( 4.091 5.977 1.802) 7.464 4.809 ( -9.923 -6.722 3.502) 12.486 4.809 ( -9.923 6.722 3.502) 12.486 5.105 ( 0.531 -8.915 -2.116) 9.178 5.105 ( 0.531 8.915 -2.116) 9.178 5.332 ( -3.896 -4.908 2.737) 6.838 5.332 ( -3.896 4.908 2.737) 6.838 5.826 ( 3.585 -3.909 -3.735) 6.487 5.826 ( 3.585 3.909 -3.735) 6.487 6.605 ( 4.901 -2.675 -2.825) 6.257 6.605 ( 4.901 2.675 -2.825) 6.257 6.964 ( 4.295 -3.087 0.675) 5.332 6.964 ( 4.295 3.087 0.675) 5.332 7.510 ( -8.651 -2.976 -0.597) 9.168 7.510 ( -8.651 2.976 -0.597) 9.168 7.966 ( -1.990 -9.337 1.345) 9.641 7.966 ( -1.990 9.337 1.345) 9.641 8.556 ( 2.762 -6.074 -0.381) 6.684 8.556 ( 2.762 6.074 -0.381) 6.684 9.280 ( -3.549 -6.235 1.080) 7.255 9.280 ( -3.549 6.235 1.080) 7.255 9.923 ( 0.280 -6.417 0.410) 6.436 9.923 ( 0.280 6.417 0.410) 6.436 11.675 ( 2.531 -8.077 0.805) 8.502 11.675 ( 2.531 8.077 0.805) 8.502 11.892 ( 2.101 -7.188 0.738) 7.525 11.892 ( 2.101 7.188 0.738) 7.525 12.948 ( 1.591 -5.888 -1.996) 6.417 12.948 ( 1.591 5.888 -1.996) 6.417 13.163 ( -0.069 -2.565 -0.338) 2.588 13.163 ( -0.069 2.565 -0.338) 2.588 14.326 ( -3.489 -7.140 0.261) 7.951 14.326 ( -3.489 7.140 0.261) 7.951 14.613 ( 1.252 -5.936 -0.073) 6.067 14.613 ( 1.252 5.936 -0.073) 6.067 20.320 ( 2.368 -19.762 -0.555) 19.911 20.320 ( 2.368 19.762 -0.555) 19.911 20.400 ( 1.360 -19.558 0.283) 19.608 20.400 ( 1.360 19.558 0.283) 19.608 26.994 ( -4.390 -6.022 0.086) 7.453 26.994 ( -4.390 6.022 0.086) 7.453 27.433 ( 3.828 -4.059 0.117) 5.580 27.433 ( 3.828 4.059 0.117) 5.580 28.119 ( 0.938 -6.170 0.205) 6.244 28.119 ( 0.938 6.170 0.205) 6.244 28.473 ( 2.839 -6.688 -0.239) 7.269 28.473 ( 2.839 6.688 -0.239) 7.269 29.298 ( -6.723 -2.470 -0.194) 7.165 29.298 ( -6.723 2.470 -0.194) 7.165 29.957 ( -1.752 -7.498 0.353) 7.708 29.957 ( -1.752 7.498 0.353) 7.708 ======================= Grid point 160 (84/114) ======================= q-point: (-0.11 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -6.338 -1.472 -4.814) 8.094 1.797 ( -6.338 1.472 -4.814) 8.094 2.451 ( 0.130 -8.243 -3.979) 9.154 2.451 ( 0.130 8.243 -3.979) 9.154 2.774 ( 1.262 -9.301 -4.762) 10.525 2.774 ( 1.262 9.301 -4.762) 10.525 3.102 ( -2.628 -7.802 0.612) 8.255 3.102 ( -2.628 7.802 0.612) 8.255 3.505 ( -4.327 -5.939 2.924) 7.909 3.505 ( -4.327 5.939 2.924) 7.909 3.775 ( -4.483 -2.308 3.127) 5.933 3.775 ( -4.483 2.308 3.127) 5.933 4.017 ( -3.123 -6.119 -0.032) 6.870 4.017 ( -3.123 6.119 -0.032) 6.870 4.327 ( -0.194 -8.559 2.922) 9.047 4.327 ( -0.194 8.559 2.922) 9.047 4.684 ( -0.693 -5.577 0.881) 5.688 4.684 ( -0.693 5.577 0.881) 5.688 5.061 ( -3.775 -4.316 1.303) 5.880 5.061 ( -3.775 4.316 1.303) 5.880 5.296 ( -0.692 -8.653 2.137) 8.940 5.296 ( -0.692 8.653 2.137) 8.940 5.925 ( 4.955 -6.107 -5.897) 9.829 5.925 ( 4.955 6.107 -5.897) 9.829 6.711 ( 5.754 -2.214 -0.911) 6.232 6.711 ( 5.754 2.214 -0.911) 6.232 7.029 ( 2.293 -2.729 1.364) 3.816 7.029 ( 2.293 2.729 1.364) 3.816 7.348 ( -7.691 -3.543 0.313) 8.473 7.348 ( -7.691 3.543 0.313) 8.473 7.927 ( -1.557 -7.250 -0.913) 7.471 7.927 ( -1.557 7.250 -0.913) 7.471 8.592 ( 1.029 -5.188 -1.373) 5.464 8.592 ( 1.029 5.188 -1.373) 5.464 9.235 ( -1.375 -5.503 2.386) 6.153 9.235 ( -1.375 5.503 2.386) 6.153 9.920 ( -0.367 -6.537 0.188) 6.550 9.920 ( -0.367 6.537 0.188) 6.550 11.721 ( 1.979 -5.812 1.069) 6.232 11.721 ( 1.979 5.812 1.069) 6.232 11.932 ( 1.743 -6.263 0.886) 6.561 11.932 ( 1.743 6.263 0.886) 6.561 12.942 ( -1.784 -9.215 2.351) 9.676 12.942 ( -1.784 9.215 2.351) 9.676 13.190 ( 2.291 -4.909 -4.622) 7.121 13.190 ( 2.291 4.909 -4.622) 7.121 14.269 ( -2.120 -5.865 0.005) 6.237 14.269 ( -2.120 5.865 0.005) 6.237 14.631 ( 0.652 -4.046 -0.055) 4.099 14.631 ( 0.652 4.046 -0.055) 4.099 20.355 ( 1.183 -17.134 -0.518) 17.183 20.355 ( 1.183 17.134 -0.518) 17.183 20.431 ( 1.543 -16.002 0.125) 16.077 20.431 ( 1.543 16.002 0.125) 16.077 26.918 ( -3.051 -5.677 0.045) 6.445 26.918 ( -3.051 5.677 0.045) 6.445 27.499 ( 2.612 -4.731 -0.045) 5.405 27.499 ( 2.612 4.731 -0.045) 5.405 28.141 ( 1.123 -6.922 0.734) 7.051 28.141 ( 1.123 6.922 0.734) 7.051 28.521 ( 1.937 -6.966 -0.608) 7.255 28.521 ( 1.937 6.966 -0.608) 7.255 29.176 ( -5.241 -1.719 -0.147) 5.518 29.176 ( -5.241 1.719 -0.147) 5.518 29.929 ( -1.057 -5.100 0.482) 5.231 29.929 ( -1.057 5.100 0.482) 5.231 ======================= Grid point 198 (85/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( -0.000 0.000 -0.000) 0.000 1.148 ( -0.000 0.000 0.000) 0.000 1.349 ( -0.000 0.000 -0.000) 0.000 1.495 ( -0.000 0.000 0.000) 0.000 1.914 ( -0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 -0.000) 0.000 2.568 ( -0.000 0.000 0.000) 0.000 2.717 ( -0.000 0.000 0.000) 0.000 2.824 ( -0.000 0.000 0.000) 0.000 3.082 ( -0.000 0.000 0.000) 0.000 3.546 ( -0.000 0.000 0.000) 0.000 3.641 ( -0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 4.039 ( -0.000 0.000 0.000) 0.000 4.203 ( -0.000 0.000 0.000) 0.000 4.466 ( -0.000 0.000 0.000) 0.000 4.488 ( -0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.754 ( -0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.240 ( -0.000 0.000 0.000) 0.000 5.493 ( -0.000 0.000 0.000) 0.000 5.802 ( 0.000 0.000 0.000) 0.000 5.940 ( -0.000 0.000 0.000) 0.000 6.241 ( -0.000 0.000 0.000) 0.000 6.658 ( -0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 -0.000) 0.000 6.982 ( -0.000 0.000 0.000) 0.000 7.074 ( -0.000 0.000 0.000) 0.000 7.129 ( -0.000 0.000 0.000) 0.000 7.864 ( 0.000 0.000 0.000) 0.000 8.014 ( -0.000 0.000 0.000) 0.000 8.347 ( -0.000 0.000 0.000) 0.000 8.616 ( -0.000 0.000 0.000) 0.000 8.731 ( 0.000 0.000 0.000) 0.000 8.745 ( -0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.399 ( -0.000 0.000 0.000) 0.000 11.177 ( -0.000 0.000 0.000) 0.000 11.321 ( -0.000 0.000 0.000) 0.000 11.379 ( -0.000 0.000 0.000) 0.000 11.582 ( -0.000 0.000 0.000) 0.000 13.092 ( 0.000 0.000 0.000) 0.000 13.412 ( -0.000 0.000 0.000) 0.000 13.457 ( -0.000 0.000 0.000) 0.000 13.538 ( 0.000 0.000 0.000) 0.000 14.772 ( 0.000 0.000 0.000) 0.000 14.951 ( -0.000 0.000 0.000) 0.000 15.642 ( -0.000 0.000 0.000) 0.000 15.706 ( 0.000 0.000 0.000) 0.000 18.148 ( -0.000 0.000 0.000) 0.000 18.267 ( -0.000 0.000 0.000) 0.000 21.666 ( 0.000 0.000 0.000) 0.000 21.687 ( -0.000 0.000 0.000) 0.000 25.996 ( -0.000 0.000 0.000) 0.000 26.058 ( 0.000 0.000 0.000) 0.000 26.247 ( -0.000 0.000 0.000) 0.000 26.254 ( 0.000 0.000 0.000) 0.000 28.007 ( -0.000 0.000 0.000) 0.000 28.019 ( 0.000 0.000 0.000) 0.000 28.807 ( -0.000 0.000 0.000) 0.000 29.005 ( -0.000 0.000 0.000) 0.000 29.335 ( -0.000 0.000 0.000) 0.000 29.554 ( 0.000 0.000 0.000) 0.000 30.896 ( -0.000 0.000 0.000) 0.000 31.799 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 200 (86/114) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -1.232 0.000 -18.040) 18.082 1.229 ( 18.718 0.000 9.421) 20.955 1.409 ( 6.619 0.000 18.753) 19.887 1.596 ( 9.645 0.000 -18.475) 20.841 2.132 ( 15.397 0.000 -6.899) 16.872 2.415 ( -3.345 0.000 26.558) 26.767 2.677 ( 3.431 0.000 -1.268) 3.658 2.774 ( 4.520 0.000 -5.462) 7.089 2.847 ( 2.586 0.000 -9.663) 10.003 3.140 ( 5.073 0.000 0.717) 5.124 3.478 ( -3.889 0.000 4.044) 5.611 3.547 ( -8.991 0.000 -7.732) 11.859 3.867 ( -0.047 0.000 -7.203) 7.203 4.074 ( 2.402 0.000 2.171) 3.238 4.232 ( -0.133 0.000 -3.539) 3.541 4.413 ( 3.895 0.000 -4.079) 5.639 4.547 ( 3.043 0.000 -4.824) 5.703 4.799 ( 2.883 0.000 13.340) 13.648 4.881 ( 11.000 0.000 1.468) 11.097 5.082 ( 6.767 0.000 -0.628) 6.796 5.242 ( 0.010 0.000 -2.205) 2.205 5.531 ( 3.608 0.000 -0.501) 3.642 5.810 ( 1.176 0.000 7.137) 7.233 5.962 ( 2.072 0.000 0.590) 2.154 6.303 ( 5.553 0.000 4.844) 7.369 6.641 ( -1.878 0.000 1.254) 2.258 6.761 ( -8.589 0.000 3.515) 9.280 7.052 ( 3.744 0.000 -6.361) 7.381 7.074 ( -1.289 0.000 -7.334) 7.446 7.123 ( 1.603 0.000 -0.000) 1.603 7.850 ( -1.319 0.000 1.089) 1.711 7.967 ( -4.642 0.000 -2.299) 5.180 8.331 ( -1.579 0.000 0.900) 1.817 8.578 ( -1.225 0.000 -3.991) 4.174 8.710 ( -1.985 0.000 -1.098) 2.269 8.838 ( 6.282 0.000 -0.528) 6.304 10.339 ( -1.988 0.000 -1.133) 2.288 10.416 ( 1.244 0.000 2.498) 2.791 11.151 ( -2.399 0.000 -1.139) 2.656 11.200 ( -7.248 0.000 5.082) 8.852 11.451 ( 3.211 0.000 -2.271) 3.933 11.577 ( -0.673 0.000 -1.191) 1.368 13.075 ( -1.576 0.000 3.764) 4.081 13.244 ( -9.342 0.000 1.360) 9.441 13.525 ( 0.293 0.000 0.130) 0.321 13.574 ( 3.672 0.000 -0.716) 3.741 14.752 ( -1.607 0.000 0.485) 1.679 14.950 ( -0.060 0.000 -1.447) 1.448 15.581 ( -4.676 0.000 3.348) 5.751 15.688 ( -2.115 0.000 0.437) 2.160 18.173 ( 1.736 0.000 -1.063) 2.035 18.264 ( 0.118 0.000 -2.065) 2.068 21.588 ( -4.079 0.000 1.885) 4.493 21.722 ( 0.172 0.000 1.813) 1.821 25.930 ( -4.399 0.000 2.553) 5.086 26.030 ( -3.187 0.000 0.495) 3.225 26.243 ( 0.277 0.000 0.178) 0.329 26.288 ( 0.796 0.000 0.802) 1.130 28.039 ( 2.682 0.000 1.466) 3.056 28.097 ( 7.156 0.000 -0.787) 7.199 28.845 ( 3.305 0.000 -0.632) 3.365 29.141 ( 8.361 0.000 2.113) 8.624 29.287 ( 0.303 0.000 -2.078) 2.100 29.653 ( 7.768 0.000 11.767) 14.100 30.726 ( -14.618 0.000 -0.756) 14.637 31.720 ( -6.680 0.000 -14.302) 15.785 ======================= Grid point 201 (87/114) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 2.612 0.000 -6.527) 7.030 1.540 ( 11.925 0.000 9.685) 15.363 1.672 ( 14.925 0.000 5.354) 15.856 1.807 ( 11.411 0.000 -13.804) 17.910 2.157 ( -3.987 0.000 7.879) 8.830 2.638 ( 9.349 0.000 13.708) 16.592 2.723 ( 3.085 0.000 -3.918) 4.987 2.835 ( 5.091 0.000 3.370) 6.105 2.904 ( 3.815 0.000 -17.242) 17.659 3.180 ( -7.398 0.000 0.363) 7.407 3.345 ( -6.188 0.000 -8.280) 10.337 3.474 ( 4.706 0.000 -0.389) 4.722 3.809 ( -3.865 0.000 -4.033) 5.586 4.049 ( -5.149 0.000 1.012) 5.248 4.322 ( 8.178 0.000 -1.146) 8.258 4.522 ( 6.436 0.000 -3.009) 7.104 4.652 ( 7.662 0.000 -1.211) 7.757 4.832 ( 0.981 0.000 12.222) 12.261 5.008 ( 4.010 0.000 -1.281) 4.210 5.209 ( 0.714 0.000 1.631) 1.781 5.362 ( 12.012 0.000 -3.769) 12.589 5.622 ( 5.606 0.000 0.591) 5.637 5.871 ( 5.501 0.000 6.422) 8.456 6.017 ( 3.353 0.000 0.409) 3.378 6.423 ( 5.032 0.000 4.810) 6.962 6.594 ( -2.751 0.000 5.042) 5.743 6.615 ( -4.684 0.000 0.183) 4.687 7.021 ( -2.439 0.000 -4.251) 4.901 7.063 ( -1.364 0.000 -8.485) 8.594 7.211 ( 5.198 0.000 -3.379) 6.200 7.812 ( -2.984 0.000 2.444) 3.858 7.845 ( -7.201 0.000 -3.942) 8.209 8.301 ( -1.046 0.000 1.462) 1.798 8.578 ( 0.115 0.000 -2.867) 2.869 8.664 ( -1.525 0.000 -0.787) 1.716 8.941 ( 4.010 0.000 -0.210) 4.015 10.300 ( -1.786 0.000 0.013) 1.786 10.443 ( 1.375 0.000 2.079) 2.492 11.089 ( -3.571 0.000 -3.088) 4.721 11.107 ( -2.237 0.000 4.684) 5.190 11.472 ( -1.240 0.000 -3.540) 3.751 11.569 ( 0.345 0.000 1.084) 1.138 13.043 ( -2.024 0.000 9.725) 9.933 13.110 ( -4.022 0.000 -3.926) 5.620 13.520 ( -0.375 0.000 0.583) 0.693 13.621 ( 1.205 0.000 -0.530) 1.316 14.724 ( -1.308 0.000 0.039) 1.309 14.950 ( 0.303 0.000 -2.178) 2.199 15.499 ( -3.785 0.000 4.836) 6.141 15.637 ( -2.660 0.000 -1.257) 2.942 18.190 ( 0.298 0.000 -0.396) 0.496 18.280 ( 1.218 0.000 -2.816) 3.068 21.529 ( -2.123 0.000 2.358) 3.173 21.701 ( -1.908 0.000 0.308) 1.933 25.859 ( -3.129 0.000 2.393) 3.939 25.945 ( -5.006 0.000 -0.778) 5.066 26.247 ( -0.005 0.000 0.203) 0.204 26.280 ( -0.946 0.000 -0.175) 0.962 28.109 ( 4.470 0.000 0.649) 4.517 28.243 ( 6.946 0.000 0.475) 6.963 28.897 ( 1.415 0.000 -0.859) 1.655 29.112 ( -5.323 0.000 4.146) 6.747 29.484 ( 11.099 0.000 -2.303) 11.335 29.823 ( 8.863 0.000 7.901) 11.873 30.466 ( -9.144 0.000 3.151) 9.672 31.574 ( -6.884 0.000 -14.254) 15.829 ======================= Grid point 202 (88/114) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 14.408 0.000 2.921) 14.701 1.767 ( 10.460 0.000 4.993) 11.590 1.851 ( 0.569 0.000 4.592) 4.628 1.924 ( 5.580 0.000 2.065) 5.950 2.243 ( 11.278 0.000 -0.480) 11.288 2.566 ( -12.718 0.000 -7.431) 14.730 2.710 ( -3.603 0.000 -3.773) 5.217 2.863 ( -2.970 0.000 4.171) 5.121 2.945 ( -8.288 0.000 3.151) 8.866 3.138 ( 11.718 0.000 -11.980) 16.758 3.254 ( -4.289 0.000 -5.170) 6.717 3.640 ( 8.012 0.000 1.594) 8.169 3.763 ( 1.306 0.000 -1.593) 2.060 3.923 ( -6.767 0.000 0.968) 6.836 4.431 ( 1.738 0.000 2.017) 2.663 4.622 ( 4.568 0.000 -3.267) 5.616 4.830 ( 1.431 0.000 -2.300) 2.709 4.862 ( 8.901 0.000 5.048) 10.232 5.120 ( 7.348 0.000 0.427) 7.360 5.264 ( 6.024 0.000 3.313) 6.875 5.454 ( -1.151 0.000 0.949) 1.491 5.731 ( 3.884 0.000 3.537) 5.253 6.009 ( 6.414 0.000 2.623) 6.929 6.084 ( 3.795 0.000 -0.884) 3.896 6.422 ( -4.231 0.000 -0.154) 4.234 6.539 ( -0.851 0.000 2.920) 3.042 6.671 ( 6.942 0.000 4.346) 8.190 6.982 ( -1.593 0.000 -3.171) 3.549 7.028 ( -1.469 0.000 -8.291) 8.421 7.289 ( 2.943 0.000 -2.811) 4.070 7.701 ( -6.853 0.000 -3.594) 7.738 7.738 ( -4.412 0.000 2.766) 5.207 8.297 ( 0.406 0.000 1.774) 1.820 8.537 ( -3.252 0.000 -1.083) 3.427 8.692 ( 3.339 0.000 -1.019) 3.491 8.993 ( 1.450 0.000 0.521) 1.541 10.273 ( -1.063 0.000 0.540) 1.192 10.468 ( 1.008 0.000 1.212) 1.576 11.032 ( -2.282 0.000 -3.593) 4.256 11.099 ( 1.025 0.000 2.936) 3.110 11.423 ( -2.867 0.000 -1.660) 3.313 11.581 ( 0.514 0.000 0.808) 0.957 13.015 ( -0.964 0.000 11.383) 11.424 13.066 ( -1.009 0.000 -7.595) 7.661 13.517 ( 0.010 0.000 0.771) 0.771 13.628 ( -0.203 0.000 -0.447) 0.491 14.698 ( -1.294 0.000 -0.096) 1.298 14.966 ( 1.411 0.000 -2.333) 2.727 15.438 ( -2.632 0.000 4.035) 4.818 15.592 ( -1.816 0.000 -1.475) 2.339 18.201 ( 1.036 0.000 0.316) 1.083 18.290 ( -0.250 0.000 -2.300) 2.313 21.502 ( -0.963 0.000 1.521) 1.800 21.663 ( -1.719 0.000 -0.353) 1.755 25.807 ( -2.280 0.000 1.217) 2.584 25.855 ( -3.841 0.000 -0.906) 3.946 26.241 ( -0.468 0.000 0.218) 0.516 26.266 ( -0.488 0.000 -0.340) 0.595 28.209 ( 5.557 0.000 0.762) 5.609 28.348 ( 3.588 0.000 -0.101) 3.589 28.898 ( -0.960 0.000 -0.590) 1.127 29.012 ( -4.761 0.000 2.597) 5.423 29.588 ( 0.434 0.000 2.443) 2.481 29.982 ( 6.618 0.000 -9.385) 11.484 30.423 ( 3.210 0.000 14.549) 14.899 31.456 ( -4.568 0.000 -10.221) 11.195 ======================= Grid point 203 (89/114) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 12.597 0.000 3.926) 13.195 1.838 ( 3.097 0.000 11.151) 11.573 1.925 ( 3.667 0.000 -0.433) 3.692 2.011 ( -1.312 0.000 -1.067) 1.691 2.253 ( -12.104 0.000 -11.152) 16.459 2.457 ( 8.970 0.000 2.863) 9.415 2.624 ( -4.886 0.000 -6.443) 8.086 2.818 ( -0.850 0.000 2.154) 2.316 2.844 ( -3.141 0.000 1.224) 3.371 3.128 ( -4.057 0.000 0.111) 4.058 3.322 ( 4.162 0.000 -3.533) 5.459 3.690 ( 0.475 0.000 -2.375) 2.422 3.815 ( -3.154 0.000 0.653) 3.221 3.879 ( 4.837 0.000 1.786) 5.156 4.431 ( -0.522 0.000 1.568) 1.653 4.691 ( 2.052 0.000 -2.277) 3.065 4.811 ( -0.842 0.000 -0.840) 1.190 5.022 ( 4.841 0.000 1.675) 5.122 5.231 ( 3.132 0.000 -0.343) 3.150 5.374 ( -2.114 0.000 2.274) 3.105 5.464 ( 8.480 0.000 -1.019) 8.541 5.729 ( -3.711 0.000 4.289) 5.672 6.076 ( 1.146 0.000 0.066) 1.148 6.177 ( 4.261 0.000 -0.356) 4.276 6.340 ( -3.050 0.000 -0.606) 3.109 6.539 ( 0.079 0.000 1.237) 1.240 6.799 ( 4.560 0.000 2.922) 5.416 6.950 ( -1.395 0.000 -1.724) 2.218 7.006 ( -0.532 0.000 -4.296) 4.329 7.326 ( 0.986 0.000 -1.006) 1.409 7.598 ( -3.033 0.000 -1.646) 3.452 7.668 ( -2.272 0.000 1.436) 2.688 8.309 ( 0.504 0.000 1.013) 1.131 8.485 ( -1.566 0.000 -0.543) 1.658 8.751 ( 1.992 0.000 -0.493) 2.052 9.005 ( 0.020 0.000 0.400) 0.400 10.259 ( -0.334 0.000 0.301) 0.449 10.482 ( 0.373 0.000 0.370) 0.525 10.999 ( -0.884 0.000 -1.434) 1.685 11.128 ( 1.220 0.000 0.884) 1.507 11.377 ( -1.483 0.000 -0.377) 1.530 11.586 ( 0.072 0.000 0.241) 0.252 13.014 ( 0.208 0.000 6.591) 6.594 13.048 ( -0.566 0.000 -5.353) 5.383 13.520 ( 0.190 0.000 0.442) 0.481 13.621 ( -0.345 0.000 -0.275) 0.441 14.678 ( -0.606 0.000 -0.003) 0.606 14.992 ( 0.922 0.000 -1.137) 1.463 15.402 ( -1.082 0.000 1.654) 1.977 15.568 ( -0.645 0.000 -0.600) 0.881 18.230 ( 1.762 0.000 0.902) 1.979 18.270 ( -1.531 0.000 -1.548) 2.177 21.490 ( -0.287 0.000 0.507) 0.583 21.639 ( -0.648 0.000 -0.197) 0.678 25.775 ( -0.887 0.000 0.313) 0.941 25.803 ( -1.362 0.000 -0.317) 1.399 26.234 ( -0.238 0.000 0.075) 0.250 26.260 ( -0.129 0.000 -0.117) 0.174 28.311 ( 4.264 0.000 1.020) 4.384 28.377 ( -0.570 0.000 -0.852) 1.025 28.875 ( -0.941 0.000 -0.084) 0.944 28.944 ( -1.923 0.000 0.777) 2.074 29.572 ( -0.916 0.000 0.799) 1.215 30.061 ( 2.028 0.000 -4.764) 5.178 30.510 ( 3.158 0.000 7.196) 7.858 31.391 ( -1.672 0.000 -3.976) 4.313 ======================= Grid point 208 (90/114) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -0.000 6.317 -0.000) 6.317 1.188 ( 0.000 4.339 0.000) 4.339 1.388 ( -0.000 5.794 -0.000) 5.794 1.549 ( 0.000 6.059 0.000) 6.059 2.266 ( 0.000 23.766 -0.000) 23.766 2.555 ( 0.000 1.642 -0.000) 1.642 2.578 ( -0.000 6.136 0.000) 6.136 2.806 ( 0.000 9.396 0.000) 9.396 2.946 ( -0.000 6.154 0.000) 6.154 3.185 ( -0.000 3.618 0.000) 3.618 3.587 ( -0.000 9.373 0.000) 9.373 3.610 ( 0.000 -1.359 0.000) 1.359 3.814 ( 0.000 -0.553 0.000) 0.553 3.983 ( -0.000 -2.978 0.000) 2.978 4.320 ( 0.000 6.505 0.000) 6.505 4.385 ( -0.000 -5.950 0.000) 5.950 4.516 ( -0.000 3.405 0.000) 3.405 4.694 ( 0.000 -3.657 0.000) 3.657 4.832 ( -0.000 7.222 0.000) 7.222 5.108 ( 0.000 2.247 0.000) 2.247 5.247 ( -0.000 0.026 0.000) 0.026 5.547 ( -0.000 5.164 0.000) 5.164 5.574 ( 0.000 -14.429 0.000) 14.429 5.892 ( -0.000 -2.823 0.000) 2.823 6.239 ( -0.000 -0.535 0.000) 0.535 6.708 ( -0.000 1.098 0.000) 1.098 6.865 ( 0.000 -1.230 -0.000) 1.230 7.013 ( 0.000 2.969 0.000) 2.969 7.031 ( -0.000 -5.194 0.000) 5.194 7.090 ( -0.000 1.727 -0.000) 1.727 7.838 ( -0.000 -1.631 0.000) 1.631 7.965 ( -0.000 -6.734 0.000) 6.734 8.402 ( 0.000 -3.319 0.000) 3.319 8.493 ( -0.000 9.033 0.000) 9.033 8.753 ( -0.000 2.916 0.000) 2.916 9.088 ( -0.000 15.556 0.000) 15.556 10.164 ( -0.000 -14.067 0.000) 14.067 10.246 ( -0.000 -10.648 0.000) 10.648 11.226 ( -0.000 4.058 0.000) 4.058 11.478 ( -0.000 10.350 0.000) 10.350 11.545 ( 0.000 11.323 0.000) 11.323 11.628 ( -0.000 4.121 0.000) 4.121 12.994 ( 0.000 -2.906 0.000) 2.906 13.128 ( -0.000 -11.076 0.000) 11.076 13.539 ( -0.000 1.736 0.000) 1.736 13.804 ( 0.000 9.382 0.000) 9.382 14.842 ( -0.000 3.686 0.000) 3.686 14.968 ( -0.000 0.910 0.000) 0.910 15.487 ( -0.000 -18.545 0.000) 18.545 15.493 ( 0.000 -13.031 0.000) 13.031 18.276 ( -0.000 12.789 0.000) 12.789 18.457 ( -0.000 16.288 0.000) 16.288 21.621 ( 0.000 -4.630 0.000) 4.630 21.640 ( -0.000 -4.673 0.000) 4.673 26.032 ( 0.000 2.448 -0.000) 2.448 26.049 ( -0.000 6.374 0.000) 6.374 26.574 ( 0.000 23.445 0.000) 23.445 26.596 ( -0.000 26.032 -0.000) 26.032 28.005 ( -0.000 -0.127 0.000) 0.127 28.009 ( 0.000 -0.749 -0.000) 0.749 28.816 ( -0.000 0.819 0.000) 0.819 29.002 ( 0.000 -0.484 0.000) 0.484 29.324 ( -0.000 -1.163 0.000) 1.163 29.483 ( 0.000 -6.698 0.000) 6.698 30.701 ( -0.000 -16.398 0.000) 16.398 31.417 ( -0.000 -30.596 0.000) 30.596 ======================= Grid point 210 (91/114) ======================= q-point: ( 0.11 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 2.747 9.780 -9.224) 13.722 1.228 ( 15.607 -0.455 -3.829) 16.076 1.520 ( 6.585 3.468 -11.620) 13.799 1.631 ( 10.962 10.767 14.512) 21.135 2.371 ( 7.938 12.754 6.667) 16.436 2.487 ( -1.823 10.177 11.487) 15.455 2.683 ( 4.021 0.927 -7.848) 8.867 2.803 ( 2.507 7.837 0.449) 8.240 3.006 ( 5.219 10.875 -8.325) 14.656 3.220 ( 3.555 0.951 -2.092) 4.234 3.501 ( -5.731 4.632 0.160) 7.370 3.587 ( -4.349 7.136 -0.283) 8.362 3.861 ( 2.714 0.393 -3.514) 4.457 4.049 ( 6.010 -1.272 0.162) 6.145 4.299 ( -1.814 4.353 -2.044) 5.139 4.404 ( 1.828 -0.238 -1.725) 2.525 4.534 ( 3.629 -1.600 -0.819) 4.050 4.811 ( 3.295 3.071 1.921) 4.897 4.871 ( 9.277 -1.415 5.929) 11.100 5.117 ( 2.453 -0.626 -2.729) 3.723 5.239 ( -0.533 -0.235 2.239) 2.313 5.526 ( 0.555 -2.447 -0.188) 2.517 5.655 ( 4.801 -5.992 6.092) 9.801 5.931 ( 3.791 -1.824 -1.408) 4.437 6.271 ( 3.243 -2.855 2.728) 5.109 6.669 ( -4.178 0.295 3.042) 5.176 6.771 ( -7.546 1.225 1.652) 7.821 6.989 ( 0.164 -5.422 -5.891) 8.008 7.080 ( 0.634 1.361 -4.031) 4.302 7.142 ( 5.552 2.866 -2.580) 6.760 7.791 ( -3.433 -3.931 -0.244) 5.225 7.977 ( 0.173 -1.408 -1.868) 2.346 8.389 ( -1.011 -0.135 -1.817) 2.084 8.508 ( 1.034 6.310 0.327) 6.402 8.783 ( 2.377 2.305 2.092) 3.917 9.053 ( -3.016 13.975 -0.462) 14.304 10.161 ( -0.280 -12.914 -0.349) 12.921 10.255 ( 0.917 -11.253 0.601) 11.306 11.198 ( -2.618 3.996 -1.221) 4.931 11.364 ( -8.063 11.306 3.554) 14.334 11.571 ( 1.265 6.081 2.257) 6.609 11.634 ( -0.551 6.951 -3.256) 7.696 13.000 ( 0.361 -2.403 3.299) 4.098 13.094 ( -2.490 -7.209 -2.878) 8.151 13.529 ( -1.269 0.044 3.463) 3.688 13.797 ( -0.503 9.371 -1.971) 9.589 14.834 ( -0.814 4.883 -0.965) 5.044 14.958 ( -0.689 0.255 -1.003) 1.244 15.436 ( -3.888 -13.255 2.382) 14.017 15.488 ( -1.253 -16.932 0.179) 16.979 18.274 ( -0.124 11.235 0.351) 11.241 18.443 ( -1.146 15.218 -1.642) 15.349 21.552 ( -3.866 -3.841 1.962) 5.792 21.671 ( 0.306 -5.040 0.747) 5.104 25.991 ( -2.747 5.814 2.733) 6.987 26.057 ( -0.622 4.899 -2.138) 5.381 26.471 ( -5.241 20.857 -2.634) 21.666 26.606 ( -3.064 22.655 4.903) 23.381 28.016 ( 2.729 -1.625 1.026) 3.338 28.107 ( 7.034 0.656 -0.296) 7.070 28.840 ( 2.102 -0.517 -0.487) 2.218 29.122 ( 7.091 -1.965 1.746) 7.563 29.268 ( 0.380 -1.650 -1.219) 2.087 29.607 ( 9.269 -4.424 10.668) 14.808 30.541 ( -13.381 -15.735 -3.700) 20.985 31.413 ( -0.918 -25.271 -10.006) 27.196 ======================= Grid point 211 (92/114) ======================= q-point: ( 0.22 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 4.845 15.412 -5.216) 16.977 1.546 ( 12.965 -8.893 -10.555) 18.936 1.658 ( 8.906 7.060 8.531) 14.210 1.905 ( 14.482 11.935 0.939) 18.789 2.350 ( -3.650 12.128 9.517) 15.842 2.634 ( 2.766 -1.217 -4.680) 5.571 2.690 ( 4.354 1.651 3.786) 6.002 2.907 ( 4.188 4.417 2.849) 6.721 3.114 ( 5.927 17.128 -11.619) 21.529 3.227 ( -8.323 4.328 -8.271) 12.507 3.422 ( 4.807 -2.143 4.215) 6.743 3.522 ( -2.421 12.778 -1.811) 13.131 3.865 ( -2.430 5.461 -2.077) 6.328 4.105 ( -2.941 6.066 0.032) 6.742 4.329 ( 5.740 1.035 -0.359) 5.844 4.473 ( 6.033 -2.796 -0.841) 6.702 4.638 ( 6.165 -3.103 1.148) 6.997 4.828 ( 1.785 2.218 6.476) 7.075 5.006 ( 1.940 -2.282 1.310) 3.269 5.251 ( 3.161 2.118 1.342) 4.034 5.310 ( 13.516 -5.872 -1.670) 14.831 5.562 ( 2.387 -3.168 0.633) 4.017 5.742 ( 4.535 -6.996 4.422) 9.437 6.026 ( 5.616 0.198 -0.340) 5.630 6.349 ( 3.513 -7.354 3.867) 9.021 6.573 ( -4.235 -0.432 1.898) 4.661 6.650 ( -3.751 2.641 0.622) 4.630 6.989 ( -0.450 -4.453 -5.479) 7.074 7.059 ( -2.111 1.189 -4.805) 5.381 7.252 ( 5.056 3.543 -3.285) 6.994 7.734 ( -2.203 -3.205 -1.123) 4.048 7.951 ( -2.787 4.854 -1.626) 5.829 8.367 ( -1.038 3.631 0.412) 3.799 8.527 ( 0.853 1.960 -1.177) 2.440 8.800 ( -1.521 6.007 3.030) 6.898 9.012 ( -0.226 7.296 -0.563) 7.321 10.155 ( -0.245 -11.130 -0.583) 11.148 10.281 ( 1.600 -11.881 0.805) 12.015 11.132 ( -3.825 3.626 -3.148) 6.139 11.230 ( -5.198 8.700 4.920) 11.266 11.580 ( -1.753 5.237 -0.061) 5.523 11.610 ( 0.036 6.604 -0.560) 6.628 12.999 ( -0.714 -1.826 7.649) 7.896 13.070 ( 0.584 -0.636 -7.188) 7.240 13.494 ( -2.224 -2.779 3.439) 4.949 13.786 ( -0.633 9.379 -1.125) 9.468 14.810 ( -1.530 5.957 -0.875) 6.213 14.951 ( 0.207 -0.406 -2.197) 2.244 15.359 ( -3.838 -12.556 3.680) 13.636 15.457 ( -1.645 -15.940 -0.409) 16.029 18.276 ( 0.385 9.532 -0.077) 9.541 18.422 ( -0.814 12.866 -1.658) 12.998 21.491 ( -2.376 -3.847 2.241) 5.046 21.654 ( -1.648 -4.644 -0.034) 4.927 25.939 ( -2.610 7.338 1.908) 8.019 26.017 ( -3.125 7.103 -1.482) 7.901 26.398 ( -2.288 15.483 -0.480) 15.659 26.516 ( -5.042 17.886 1.055) 18.613 28.091 ( 4.704 -1.446 0.511) 4.947 28.245 ( 6.417 0.053 0.589) 6.444 28.869 ( 0.444 -2.679 -0.487) 2.759 29.091 ( -5.168 -2.121 3.525) 6.606 29.458 ( 11.302 -2.351 -2.032) 11.721 29.797 ( 8.977 -2.493 8.505) 12.615 30.309 ( -7.599 -13.705 -0.166) 15.672 31.368 ( -2.807 -17.774 -11.053) 21.118 ======================= Grid point 212 (93/114) ======================= q-point: ( 0.33 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 12.562 15.209 2.035) 19.831 1.715 ( 5.063 -6.554 -0.280) 8.287 1.833 ( 7.618 3.602 4.639) 9.619 2.125 ( 7.177 15.271 3.265) 17.187 2.363 ( 4.221 7.177 1.979) 8.558 2.560 ( -4.760 1.533 -12.122) 13.113 2.772 ( -2.071 3.822 -4.505) 6.261 2.917 ( -2.059 4.011 4.146) 6.125 2.979 ( -7.810 3.130 -0.966) 8.469 3.286 ( 7.321 13.947 -7.584) 17.483 3.440 ( -5.028 11.812 -0.384) 12.843 3.617 ( 10.350 0.259 2.736) 10.708 3.795 ( -3.415 5.011 -1.581) 6.267 3.990 ( -7.118 7.459 1.236) 10.384 4.414 ( 1.499 -0.919 2.180) 2.801 4.586 ( 5.026 -2.242 -3.726) 6.646 4.786 ( 7.651 -4.519 1.341) 8.986 4.888 ( 2.435 2.313 4.109) 5.307 5.079 ( 7.981 -3.497 1.465) 8.835 5.338 ( 5.092 4.085 2.943) 7.161 5.459 ( 0.636 0.052 -0.036) 0.639 5.609 ( 2.356 -7.600 1.219) 8.050 5.868 ( 8.160 -10.542 0.703) 13.350 6.118 ( 2.989 1.814 0.812) 3.589 6.367 ( -1.153 -6.053 0.914) 6.229 6.528 ( -1.640 -1.182 1.279) 2.392 6.663 ( 4.814 0.615 1.873) 5.202 6.967 ( -1.426 -3.726 -4.578) 6.073 7.012 ( -2.025 1.011 -3.657) 4.301 7.327 ( 2.845 3.205 -2.664) 5.046 7.704 ( -0.788 1.486 -2.410) 2.939 7.869 ( -5.327 8.802 0.184) 10.290 8.355 ( -0.190 4.785 1.743) 5.096 8.524 ( -1.503 0.105 -1.041) 1.832 8.770 ( -0.229 6.511 1.438) 6.672 9.027 ( 0.890 3.226 0.210) 3.353 10.151 ( -0.196 -9.935 -0.540) 9.951 10.313 ( 1.492 -11.893 0.649) 12.004 11.060 ( -3.064 2.954 -4.141) 5.938 11.168 ( -1.847 4.282 4.774) 6.674 11.529 ( -2.492 8.149 -1.143) 8.597 11.626 ( 0.851 4.325 1.008) 4.521 12.993 ( -0.019 -0.357 5.059) 5.072 13.089 ( 1.114 3.126 -5.013) 6.012 13.455 ( -1.733 -5.634 2.177) 6.284 13.772 ( -0.754 9.508 -0.075) 9.539 14.778 ( -1.620 5.763 -0.481) 6.005 14.968 ( 1.511 -0.341 -2.753) 3.158 15.295 ( -2.806 -12.983 3.464) 13.727 15.427 ( -1.314 -14.833 -0.517) 14.900 18.291 ( 1.195 9.093 -0.174) 9.173 18.406 ( -0.912 11.297 -1.104) 11.387 21.458 ( -1.206 -4.232 1.465) 4.638 21.619 ( -1.640 -4.335 -0.394) 4.651 25.893 ( -2.054 8.034 0.849) 8.336 25.952 ( -3.118 9.090 -0.786) 9.642 26.371 ( -0.629 12.369 -0.168) 12.387 26.434 ( -3.267 14.184 0.068) 14.556 28.194 ( 5.645 -1.300 0.624) 5.826 28.341 ( 3.197 -0.695 0.001) 3.271 28.859 ( -1.117 -3.591 -0.197) 3.766 28.990 ( -4.989 -2.221 2.033) 5.827 29.578 ( 1.328 -0.849 2.123) 2.644 29.939 ( 5.575 -3.853 -8.868) 11.161 30.294 ( 4.459 -11.529 12.917) 17.878 31.309 ( -2.541 -13.118 -8.439) 15.804 ======================= Grid point 213 (94/114) ======================= q-point: ( 0.44 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 9.699 10.306 2.718) 14.411 1.786 ( 4.738 -2.215 5.968) 7.935 1.917 ( -0.923 1.638 0.247) 1.896 2.191 ( -1.365 11.897 1.920) 12.128 2.352 ( -1.976 7.988 -8.361) 11.731 2.530 ( -0.213 5.628 -2.573) 6.192 2.713 ( 0.842 7.269 -4.486) 8.583 2.873 ( -3.303 3.308 2.754) 5.426 2.927 ( 1.019 6.492 -0.127) 6.572 3.325 ( -4.897 13.548 1.640) 14.499 3.386 ( 2.645 9.761 -1.969) 10.303 3.750 ( 0.676 2.396 -3.496) 4.292 3.784 ( 4.066 -2.401 3.361) 5.796 3.871 ( -4.466 6.457 0.664) 7.879 4.417 ( -0.346 -0.332 1.223) 1.314 4.660 ( 2.278 -1.897 -2.101) 3.633 4.874 ( 1.369 1.769 -4.296) 4.843 4.928 ( 2.019 -4.861 6.712) 8.529 5.257 ( 6.513 -2.430 -1.179) 7.051 5.380 ( -1.967 0.770 3.145) 3.788 5.476 ( 4.307 2.625 -0.675) 5.089 5.614 ( -2.122 -7.473 1.521) 7.916 6.009 ( 4.343 -9.169 -0.763) 10.174 6.153 ( 1.917 -0.499 1.061) 2.248 6.328 ( -2.938 -0.856 -0.713) 3.142 6.499 ( -0.843 -3.046 0.673) 3.231 6.773 ( 4.582 -1.743 1.934) 5.271 6.929 ( -1.949 -2.773 -1.901) 3.886 6.995 ( 0.061 0.386 -2.096) 2.132 7.363 ( 0.964 3.019 -0.963) 3.312 7.705 ( 1.250 7.345 -3.543) 8.250 7.766 ( -4.585 9.061 2.662) 10.498 8.359 ( 0.346 4.953 1.188) 5.105 8.485 ( -1.610 -0.314 -0.589) 1.743 8.789 ( 1.124 4.209 0.154) 4.359 9.035 ( 0.041 2.779 0.268) 2.792 10.148 ( -0.085 -9.340 -0.213) 9.343 10.334 ( 0.595 -11.739 0.252) 11.757 11.018 ( -1.043 2.288 -1.909) 3.157 11.149 ( -0.428 0.918 2.063) 2.298 11.494 ( -0.918 9.635 -0.453) 9.689 11.638 ( 0.320 4.286 0.404) 4.317 12.999 ( 0.261 0.304 1.771) 1.816 13.101 ( 0.272 5.102 -1.830) 5.427 13.433 ( -0.562 -7.596 0.731) 7.652 13.760 ( -0.359 9.654 0.100) 9.661 14.753 ( -0.692 5.584 -0.125) 5.628 14.995 ( 1.017 -0.101 -1.467) 1.788 15.256 ( -1.183 -13.415 1.643) 13.567 15.408 ( -0.541 -14.423 -0.238) 14.435 18.317 ( 1.168 8.533 0.017) 8.613 18.386 ( -0.966 11.387 -0.468) 11.438 21.444 ( -0.372 -4.487 0.494) 4.530 21.596 ( -0.648 -4.259 -0.192) 4.312 25.865 ( -0.756 8.485 0.210) 8.521 25.907 ( -1.259 9.712 -0.239) 9.796 26.369 ( 0.404 11.463 -0.207) 11.472 26.388 ( -1.588 12.209 0.137) 12.312 28.298 ( 4.550 -1.140 0.944) 4.785 28.362 ( -0.980 -1.267 -0.791) 1.786 28.839 ( -0.719 -3.380 0.012) 3.455 28.915 ( -2.234 -2.804 0.615) 3.637 29.572 ( -0.686 0.172 0.753) 1.033 30.009 ( 1.936 -4.785 -4.533) 6.869 30.393 ( 3.310 -10.583 6.469) 12.838 31.270 ( -1.037 -10.993 -3.328) 11.533 ======================= Grid point 218 (95/114) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( -0.000 12.079 0.000) 12.079 1.316 ( -0.000 6.099 -0.000) 6.099 1.573 ( 0.000 10.690 0.000) 10.690 1.781 ( 0.000 16.856 0.000) 16.856 2.453 ( -0.000 1.320 0.000) 1.320 2.609 ( 0.000 2.401 0.000) 2.401 2.895 ( -0.000 14.243 0.000) 14.243 3.063 ( 0.000 4.673 0.000) 4.673 3.129 ( -0.000 -4.475 0.000) 4.475 3.212 ( -0.000 24.354 0.000) 24.354 3.636 ( 0.000 3.687 0.000) 3.687 3.881 ( -0.000 9.605 -0.000) 9.605 3.892 ( -0.000 4.831 0.000) 4.831 3.953 ( -0.000 7.777 0.000) 7.777 4.263 ( 0.000 -4.720 0.000) 4.720 4.411 ( -0.000 4.641 0.000) 4.641 4.593 ( 0.000 -5.162 0.000) 5.162 4.606 ( -0.000 2.568 -0.000) 2.568 4.919 ( 0.000 -3.935 0.000) 3.935 5.050 ( -0.000 -6.392 0.000) 6.392 5.299 ( -0.000 8.209 0.000) 8.209 5.473 ( -0.000 7.540 0.000) 7.540 5.571 ( -0.000 -5.134 0.000) 5.134 5.964 ( -0.000 9.420 0.000) 9.420 6.236 ( -0.000 2.054 0.000) 2.054 6.658 ( 0.000 -4.734 0.000) 4.734 6.841 ( 0.000 -0.248 0.000) 0.248 6.989 ( 0.000 0.433 0.000) 0.433 7.080 ( -0.000 2.252 0.000) 2.252 7.158 ( -0.000 5.347 0.000) 5.347 7.762 ( -0.000 -10.088 0.000) 10.088 7.804 ( 0.000 -1.813 0.000) 1.813 8.500 ( -0.000 10.066 0.000) 10.066 8.620 ( -0.000 4.026 0.000) 4.026 8.863 ( -0.000 6.136 0.000) 6.136 9.232 ( -0.000 -3.416 0.000) 3.416 9.950 ( 0.000 -4.204 0.000) 4.204 10.058 ( -0.000 -6.495 0.000) 6.495 11.346 ( -0.000 7.327 0.000) 7.327 11.631 ( -0.000 4.014 0.000) 4.014 11.732 ( 0.000 6.258 0.000) 6.258 11.741 ( -0.000 6.023 0.000) 6.023 13.024 ( 0.000 0.214 0.000) 0.214 13.059 ( -0.000 7.725 0.000) 7.725 13.469 ( -0.000 -6.930 0.000) 6.930 13.871 ( -0.000 -1.923 0.000) 1.923 14.742 ( 0.000 -16.265 0.000) 16.265 14.873 ( -0.000 -17.055 0.000) 17.055 15.093 ( -0.000 -11.315 0.000) 11.315 15.217 ( -0.000 -10.167 0.000) 10.167 18.680 ( -0.000 24.658 0.000) 24.658 18.881 ( -0.000 23.212 0.000) 23.212 21.463 ( 0.000 -10.407 0.000) 10.407 21.487 ( -0.000 -9.939 0.000) 9.939 26.170 ( 0.000 9.962 0.000) 9.962 26.258 ( -0.000 13.054 0.000) 13.054 27.074 ( 0.000 22.313 0.000) 22.313 27.107 ( -0.000 19.321 -0.000) 19.321 28.002 ( -0.000 0.518 0.000) 0.518 28.007 ( 0.000 0.495 -0.000) 0.495 28.837 ( -0.000 0.942 0.000) 0.942 28.963 ( 0.000 -4.442 0.000) 4.442 29.280 ( -0.000 -3.335 -0.000) 3.335 29.296 ( 0.000 -9.651 0.000) 9.651 30.321 ( -0.000 -17.715 0.000) 17.715 30.775 ( -0.000 -27.048 0.000) 27.048 ======================= Grid point 220 (96/114) ======================= q-point: ( 0.11 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 6.857 4.143 -12.457) 14.811 1.393 ( 9.100 13.482 -3.551) 16.649 1.698 ( 8.174 10.524 -3.107) 13.683 1.846 ( 8.466 12.149 12.416) 19.324 2.494 ( 3.507 2.636 3.693) 5.735 2.634 ( 1.654 2.279 -3.002) 4.116 2.867 ( -2.388 12.869 -4.307) 13.780 3.016 ( -2.530 9.435 7.215) 12.143 3.137 ( 1.867 -4.674 -1.972) 5.406 3.352 ( 10.057 15.845 -0.357) 18.771 3.634 ( -0.384 9.316 -5.114) 10.634 3.824 ( -5.208 11.886 -1.055) 13.019 3.945 ( 4.337 6.612 0.897) 7.959 4.032 ( 6.683 0.718 0.489) 6.739 4.310 ( 4.626 -2.347 -4.518) 6.879 4.437 ( 2.221 1.408 2.155) 3.400 4.522 ( -0.190 0.969 0.533) 1.122 4.780 ( 10.978 -2.427 1.751) 11.379 4.911 ( -0.357 -3.511 5.291) 6.360 5.043 ( -0.241 -2.212 -3.322) 3.999 5.277 ( -2.208 7.602 7.024) 10.584 5.472 ( 1.708 1.194 -2.006) 2.893 5.608 ( 2.429 -3.180 0.078) 4.003 6.000 ( 3.300 7.833 -1.117) 8.573 6.230 ( -0.570 1.385 2.260) 2.711 6.630 ( -3.259 -3.382 1.660) 4.981 6.783 ( -5.059 -0.909 -1.510) 5.357 6.922 ( -2.538 0.102 -0.329) 2.562 7.120 ( 0.130 2.426 -5.500) 6.012 7.221 ( 6.136 4.154 -2.119) 7.707 7.697 ( -2.634 -5.061 -2.187) 6.110 7.899 ( 5.579 -4.161 1.735) 7.173 8.490 ( -0.657 9.023 -1.382) 9.152 8.641 ( 0.868 5.078 1.407) 5.340 8.867 ( 0.942 5.436 2.661) 6.125 9.211 ( -2.163 -1.111 -0.017) 2.432 9.942 ( -0.644 -6.019 0.118) 6.055 10.062 ( 0.381 -6.026 -0.608) 6.069 11.311 ( -3.381 6.777 -0.694) 7.605 11.567 ( -7.988 6.862 1.667) 10.662 11.659 ( -0.543 4.346 1.655) 4.682 11.793 ( 0.521 5.931 -1.905) 6.251 13.007 ( -0.647 1.846 0.806) 2.116 13.091 ( 2.261 6.209 -2.471) 7.055 13.448 ( -2.154 -6.380 4.790) 8.264 13.876 ( 0.604 -1.235 -2.374) 2.743 14.745 ( 0.217 -16.673 -0.803) 16.694 14.869 ( -0.339 -16.155 -0.261) 16.160 15.080 ( -1.313 -11.822 -0.515) 11.906 15.196 ( -1.891 -8.569 0.202) 8.777 18.655 ( -2.172 24.113 0.941) 24.229 18.851 ( -2.655 22.949 -0.763) 23.115 21.414 ( -3.184 -9.398 1.853) 10.094 21.507 ( 0.438 -10.510 -0.516) 10.532 26.165 ( -0.589 10.747 0.642) 10.782 26.259 ( -0.041 13.404 -0.648) 13.420 26.946 ( -8.394 21.829 -5.592) 24.047 27.071 ( -6.278 19.138 6.476) 21.157 27.991 ( 2.194 -0.310 0.110) 2.218 28.118 ( 6.711 0.330 0.424) 6.732 28.811 ( -1.620 -2.887 0.017) 3.310 29.047 ( 3.935 -5.359 1.005) 6.724 29.227 ( 2.469 -2.069 0.503) 3.260 29.469 ( 11.467 -8.447 6.573) 15.685 30.182 ( -10.901 -15.877 -5.930) 20.152 30.852 ( 5.452 -25.237 -3.386) 26.040 ======================= Grid point 221 (97/114) ======================= q-point: ( 0.22 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 9.524 -1.520 -12.627) 15.889 1.576 ( 8.111 19.143 -5.659) 21.547 1.830 ( 6.696 8.195 6.258) 12.295 2.108 ( 15.228 7.331 6.677) 18.172 2.556 ( 2.188 3.698 2.660) 5.054 2.630 ( -2.324 4.387 -4.590) 6.761 2.828 ( -0.164 10.549 -2.723) 10.896 3.007 ( 0.273 5.059 4.320) 6.659 3.190 ( 2.891 -2.445 -3.864) 5.410 3.454 ( -3.729 5.684 2.665) 7.301 3.639 ( 3.969 24.051 -7.565) 25.524 3.730 ( -2.454 7.051 -2.632) 7.916 4.012 ( 1.175 7.353 2.001) 7.711 4.163 ( 4.181 -3.425 2.256) 5.856 4.393 ( 4.410 -0.827 -3.898) 5.943 4.505 ( 4.991 2.227 2.860) 6.168 4.589 ( 5.519 5.572 3.650) 8.650 4.886 ( 0.734 -2.277 6.087) 6.540 4.966 ( 1.588 5.224 -1.983) 5.809 5.124 ( 10.637 -6.549 -0.522) 12.502 5.284 ( 4.812 1.190 4.129) 6.452 5.536 ( 3.968 -1.748 0.107) 4.337 5.640 ( 0.644 -2.263 0.800) 2.485 6.072 ( 3.403 1.865 -0.323) 3.894 6.220 ( -0.100 -0.257 2.159) 2.176 6.551 ( -3.792 -1.872 -0.721) 4.290 6.698 ( -2.632 0.800 0.001) 2.751 6.908 ( 0.068 -1.982 -1.979) 2.802 7.089 ( -2.468 2.328 -4.864) 5.931 7.331 ( 4.595 3.337 -3.224) 6.530 7.683 ( 1.509 -1.722 -2.645) 3.498 7.989 ( 3.208 -0.720 0.869) 3.400 8.476 ( -0.960 6.878 0.807) 6.991 8.631 ( -1.536 6.107 0.190) 6.301 8.908 ( 2.395 5.778 4.182) 7.524 9.154 ( -3.193 3.017 -0.778) 4.461 9.931 ( -0.354 -8.732 -0.136) 8.740 10.070 ( 0.525 -6.526 -0.653) 6.580 11.226 ( -4.899 5.298 -0.944) 7.277 11.399 ( -8.440 6.930 1.688) 11.050 11.667 ( 0.875 4.569 1.286) 4.827 11.776 ( -1.508 6.770 -1.026) 7.012 13.010 ( 0.838 2.357 0.961) 2.680 13.134 ( 2.159 4.584 -3.202) 5.994 13.397 ( -2.950 -4.105 5.136) 7.207 13.889 ( 0.627 0.088 -1.953) 2.053 14.748 ( 0.087 -17.139 -1.029) 17.170 14.861 ( -0.362 -14.836 -0.607) 14.852 15.043 ( -2.436 -11.681 -1.739) 12.058 15.157 ( -1.920 -6.639 1.891) 7.166 18.617 ( -1.412 22.539 1.192) 22.615 18.797 ( -2.517 22.254 -1.153) 22.426 21.358 ( -2.538 -9.039 1.848) 9.569 21.499 ( -1.103 -10.215 -0.515) 10.288 26.149 ( -1.022 12.398 0.617) 12.455 26.250 ( -0.901 14.718 -0.787) 14.767 26.796 ( -6.370 20.249 -1.338) 21.269 26.918 ( -8.150 18.262 1.464) 20.051 28.062 ( 4.615 -1.009 -0.126) 4.725 28.239 ( 5.379 -0.719 0.872) 5.496 28.780 ( -1.633 -5.985 0.416) 6.218 29.018 ( -4.674 -4.957 1.764) 7.038 29.396 ( 10.935 -3.220 -1.345) 11.479 29.707 ( 11.434 -6.966 10.577) 17.062 29.988 ( -6.985 -13.621 -6.603) 16.671 30.932 ( 2.804 -21.748 -5.398) 22.583 ======================= Grid point 222 (98/114) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 6.831 -4.362 -7.094) 10.771 1.737 ( 9.820 18.683 0.643) 21.117 1.954 ( 5.160 5.989 4.202) 8.952 2.359 ( 7.546 4.531 3.424) 9.444 2.529 ( -2.777 9.545 -4.680) 10.988 2.655 ( 6.269 6.821 -1.438) 9.375 2.847 ( 0.872 6.174 -2.321) 6.653 2.993 ( -2.312 1.199 0.832) 2.734 3.136 ( -8.127 11.756 -3.039) 14.611 3.393 ( 0.613 -1.031 -0.797) 1.440 3.713 ( 0.311 10.583 -2.506) 10.880 3.737 ( 4.702 11.183 -1.136) 12.184 3.978 ( -4.083 8.722 1.088) 9.692 4.148 ( -4.441 1.341 5.477) 7.178 4.481 ( 3.342 3.910 -2.788) 5.851 4.588 ( 3.828 5.725 1.168) 6.985 4.725 ( 6.257 0.137 4.217) 7.547 4.907 ( 0.932 0.863 2.499) 2.803 5.008 ( 4.958 -0.981 0.681) 5.099 5.288 ( 5.889 -5.826 2.220) 8.576 5.445 ( 7.148 0.171 -1.446) 7.295 5.587 ( -0.359 -0.485 1.896) 1.990 5.667 ( 4.896 -5.125 -0.515) 7.107 6.105 ( 0.166 -5.464 1.054) 5.567 6.257 ( 3.482 0.433 0.030) 3.509 6.498 ( -2.002 -1.437 -0.943) 2.639 6.691 ( 1.668 0.838 0.956) 2.097 6.900 ( -0.889 -1.532 -1.612) 2.395 7.042 ( -1.578 2.658 -3.396) 4.592 7.395 ( 2.354 2.756 -2.598) 4.459 7.746 ( 4.622 2.251 -3.614) 6.284 8.015 ( -0.613 4.314 0.662) 4.408 8.453 ( -1.170 2.969 2.414) 4.001 8.591 ( -2.622 7.209 0.376) 7.680 8.937 ( 0.516 9.175 3.149) 9.714 9.111 ( -0.827 3.795 -1.356) 4.114 9.929 ( 0.087 -9.943 -0.354) 9.950 10.081 ( 0.472 -8.475 -0.397) 8.498 11.141 ( -3.387 4.389 -1.494) 5.741 11.255 ( -6.217 4.708 1.823) 8.009 11.689 ( 1.194 5.651 0.674) 5.815 11.749 ( -1.151 7.337 -0.130) 7.428 13.034 ( 1.515 3.062 0.342) 3.434 13.163 ( 0.669 -0.503 -1.589) 1.796 13.350 ( -1.767 1.099 2.578) 3.313 13.896 ( 0.150 1.296 -0.632) 1.450 14.749 ( 0.078 -16.644 -0.862) 16.666 14.857 ( 0.054 -15.617 -0.618) 15.629 14.991 ( -2.580 -9.525 -1.846) 10.039 15.128 ( -1.121 -6.603 2.308) 7.084 18.605 ( 0.060 20.839 0.781) 20.853 18.758 ( -1.407 21.737 -0.914) 21.802 21.319 ( -1.530 -9.158 1.236) 9.366 21.473 ( -1.360 -9.810 -0.460) 9.914 26.129 ( -0.871 14.115 0.395) 14.147 26.223 ( -1.690 16.346 -0.628) 16.445 26.701 ( -3.473 17.433 0.308) 17.778 26.788 ( -4.988 17.808 -0.433) 18.499 28.161 ( 5.456 -1.647 0.110) 5.700 28.318 ( 2.445 -1.602 0.274) 2.936 28.751 ( -1.245 -6.693 0.382) 6.819 28.914 ( -5.569 -5.194 0.930) 7.671 29.554 ( 4.275 -1.579 1.076) 4.683 29.839 ( 1.974 -4.969 -7.145) 8.924 29.991 ( 6.860 -15.863 9.581) 19.760 30.963 ( 0.815 -18.566 -4.832) 19.202 ======================= Grid point 223 (99/114) ======================= q-point: ( 0.44 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 2.057 -4.365 -1.457) 5.041 1.931 ( 8.351 13.258 4.802) 16.388 2.015 ( 0.266 6.548 -1.750) 6.783 2.352 ( -3.074 3.067 -1.235) 4.514 2.585 ( 5.578 13.374 2.623) 14.726 2.718 ( -4.160 11.267 -5.928) 13.394 2.868 ( 3.300 6.876 -5.504) 9.405 2.938 ( -1.427 2.482 4.178) 5.065 3.044 ( -0.940 8.297 0.120) 8.351 3.380 ( -2.043 -2.745 -0.454) 3.452 3.738 ( 1.772 13.795 -0.770) 13.930 3.815 ( 3.105 4.601 0.107) 5.552 3.887 ( -4.155 9.567 0.391) 10.437 4.065 ( -3.108 6.274 2.742) 7.519 4.509 ( 0.409 9.165 -0.435) 9.185 4.657 ( 2.112 2.018 -0.835) 3.039 4.795 ( 1.768 -3.291 1.342) 3.970 4.911 ( -0.474 0.532 1.593) 1.745 5.131 ( 4.924 -7.717 0.134) 9.155 5.349 ( 0.290 -2.497 2.569) 3.594 5.522 ( 2.715 0.702 -1.340) 3.108 5.564 ( -1.424 1.169 0.404) 1.886 5.781 ( 3.978 -10.284 -1.154) 11.087 6.105 ( 0.203 -3.291 1.019) 3.451 6.313 ( 1.533 -0.660 -0.351) 1.706 6.459 ( -1.643 -0.053 -0.346) 1.680 6.741 ( 2.357 -1.521 0.987) 2.974 6.875 ( -1.228 -1.157 -0.816) 1.874 7.031 ( 0.162 3.462 -1.266) 3.690 7.425 ( 0.799 2.332 -0.944) 2.640 7.842 ( 4.706 5.839 -3.225) 8.164 7.971 ( -3.320 8.522 1.586) 9.283 8.441 ( -0.144 -1.582 1.294) 2.049 8.538 ( -2.141 9.262 0.483) 9.518 8.945 ( 0.330 10.604 0.710) 10.633 9.108 ( 0.071 3.607 -0.395) 3.630 9.932 ( 0.146 -9.974 -0.216) 9.978 10.087 ( 0.147 -10.207 -0.103) 10.208 11.101 ( -0.674 5.403 -1.376) 5.617 11.166 ( -2.733 1.593 1.476) 3.491 11.711 ( 1.050 7.283 0.043) 7.359 11.730 ( -0.866 6.584 0.205) 6.644 13.063 ( 1.170 4.966 -0.210) 5.106 13.157 ( -0.822 -7.322 0.215) 7.371 13.334 ( -0.129 6.425 0.290) 6.433 13.896 ( -0.045 1.978 -0.039) 1.979 14.750 ( 0.018 -15.502 -0.309) 15.505 14.862 ( 0.297 -18.790 -0.296) 18.795 14.951 ( -1.176 -6.875 -0.728) 7.012 15.114 ( -0.431 -6.530 0.965) 6.615 18.611 ( 0.330 19.687 0.260) 19.691 18.740 ( -0.496 21.806 -0.342) 21.814 21.300 ( -0.503 -9.317 0.428) 9.340 21.452 ( -0.589 -9.613 -0.185) 9.633 26.119 ( -0.215 15.295 0.168) 15.298 26.194 ( -1.003 17.107 -0.269) 17.139 26.659 ( -0.966 15.370 0.219) 15.402 26.724 ( -1.626 17.866 -0.284) 17.942 28.264 ( 4.657 -2.170 0.501) 5.162 28.328 ( -1.473 -2.017 -0.421) 2.533 28.738 ( -0.047 -6.069 0.123) 6.070 28.824 ( -3.001 -5.956 0.318) 6.677 29.585 ( 0.160 1.123 0.691) 1.329 29.873 ( 1.405 -7.804 -3.794) 8.790 30.110 ( 3.451 -15.136 4.721) 16.226 30.969 ( 0.100 -16.770 -1.976) 16.886 ======================= Grid point 228 (100/114) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 0.000 4.643 0.000) 4.643 1.424 ( -0.000 12.635 -0.000) 12.635 1.820 ( 0.000 13.079 0.000) 13.079 2.215 ( -0.000 22.339 0.000) 22.339 2.494 ( -0.000 3.487 0.000) 3.487 2.646 ( -0.000 1.308 0.000) 1.308 3.001 ( -0.000 -4.953 0.000) 4.953 3.145 ( 0.000 8.948 -0.000) 8.948 3.211 ( -0.000 6.989 0.000) 6.989 3.493 ( 0.000 5.769 0.000) 5.769 3.723 ( 0.000 3.084 0.000) 3.084 3.824 ( -0.000 -4.944 0.000) 4.944 4.038 ( 0.000 -2.202 -0.000) 2.202 4.114 ( -0.000 2.350 0.000) 2.350 4.276 ( -0.000 2.219 0.000) 2.219 4.559 ( 0.000 1.490 0.000) 1.490 4.596 ( -0.000 2.487 0.000) 2.487 4.632 ( -0.000 14.548 0.000) 14.548 4.837 ( 0.000 -0.185 0.000) 0.185 4.906 ( 0.000 -6.326 0.000) 6.326 5.405 ( -0.000 3.134 -0.000) 3.134 5.422 ( 0.000 -7.402 0.000) 7.402 5.773 ( -0.000 10.551 0.000) 10.551 6.055 ( 0.000 -1.277 0.000) 1.277 6.441 ( -0.000 15.710 0.000) 15.710 6.605 ( 0.000 2.806 0.000) 2.806 6.873 ( 0.000 3.731 0.000) 3.731 7.020 ( 0.000 2.370 0.000) 2.370 7.105 ( 0.000 0.496 0.000) 0.496 7.295 ( -0.000 6.145 0.000) 6.145 7.616 ( -0.000 -1.828 0.000) 1.828 7.761 ( 0.000 -1.820 0.000) 1.820 8.696 ( 0.000 2.532 0.000) 2.532 8.757 ( -0.000 12.672 0.000) 12.672 8.977 ( 0.000 5.526 0.000) 5.526 9.023 ( -0.000 -12.276 0.000) 12.276 9.939 ( 0.000 0.605 -0.000) 0.605 9.978 ( -0.000 -1.550 0.000) 1.550 11.520 ( -0.000 8.929 0.000) 8.929 11.673 ( 0.000 0.670 0.000) 0.670 11.835 ( -0.000 4.208 0.000) 4.208 11.866 ( 0.000 5.934 0.000) 5.934 13.062 ( 0.000 1.435 0.000) 1.435 13.119 ( -0.000 -6.921 0.000) 6.921 13.419 ( -0.000 5.475 0.000) 5.475 13.750 ( -0.000 -10.903 0.000) 10.903 14.272 ( 0.000 -23.170 0.000) 23.170 14.400 ( -0.000 -19.346 0.000) 19.346 14.941 ( -0.000 -7.823 0.000) 7.823 15.035 ( -0.000 -9.033 0.000) 9.033 19.250 ( -0.000 28.524 0.000) 28.524 19.401 ( -0.000 25.785 0.000) 25.785 21.190 ( 0.000 -15.451 0.000) 15.451 21.227 ( -0.000 -14.779 0.000) 14.779 26.419 ( 0.000 13.083 0.000) 13.083 26.567 ( -0.000 15.620 0.000) 15.620 27.357 ( -0.000 5.261 0.000) 5.261 27.461 ( 0.000 13.938 0.000) 13.938 28.030 ( -0.000 1.841 -0.000) 1.841 28.046 ( 0.000 3.559 0.000) 3.559 28.771 ( -0.000 -12.610 0.000) 12.610 28.837 ( 0.000 -1.823 0.000) 1.823 29.164 ( -0.000 -2.774 0.000) 2.774 29.184 ( 0.000 -5.206 -0.000) 5.206 30.022 ( -0.000 -10.065 0.000) 10.065 30.328 ( 0.000 -16.134 0.000) 16.134 ======================= Grid point 230 (101/114) ======================= q-point: ( 0.11 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 1.257 9.539 -4.204) 10.500 1.604 ( 12.559 6.878 0.598) 14.331 1.907 ( 7.486 10.613 3.930) 13.570 2.202 ( 0.469 18.924 -1.038) 18.958 2.551 ( 3.817 3.659 -0.854) 5.356 2.671 ( 2.463 1.986 -3.966) 5.073 3.004 ( 0.348 -4.382 -0.418) 4.415 3.120 ( -1.750 9.488 -1.362) 9.744 3.244 ( 2.006 9.720 0.021) 9.924 3.521 ( 2.222 4.165 3.672) 5.980 3.749 ( 3.211 1.600 0.415) 3.612 3.895 ( 6.574 -3.398 1.161) 7.491 4.051 ( 0.686 -0.294 4.227) 4.292 4.184 ( 5.302 2.174 -3.026) 6.480 4.294 ( 1.637 0.215 -1.839) 2.471 4.456 ( -6.502 9.342 -5.303) 12.557 4.585 ( -1.358 2.153 3.567) 4.382 4.733 ( 9.918 -2.331 0.811) 10.220 4.849 ( 3.758 -0.217 2.880) 4.740 4.990 ( 4.761 0.709 -0.222) 4.818 5.382 ( 0.340 -0.907 -1.578) 1.852 5.481 ( 2.973 -1.717 3.596) 4.972 5.704 ( -5.229 9.239 -0.844) 10.650 6.059 ( -0.753 -2.516 1.027) 2.820 6.433 ( -0.829 15.102 1.633) 15.212 6.599 ( -1.233 2.941 -1.903) 3.714 6.770 ( -7.164 1.254 -1.547) 7.435 6.968 ( -3.472 3.429 1.831) 5.211 7.177 ( 3.598 2.678 -5.675) 7.234 7.316 ( 2.541 4.981 -0.785) 5.646 7.617 ( 0.786 -0.742 -0.413) 1.157 7.840 ( 6.793 -1.229 1.221) 7.010 8.647 ( -3.916 2.725 4.386) 6.481 8.784 ( 1.272 9.583 -2.003) 9.872 8.976 ( 1.072 1.692 1.873) 2.742 9.072 ( 3.889 -4.629 -2.332) 6.480 9.879 ( -4.038 -1.531 1.723) 4.649 10.014 ( 1.610 0.266 -1.329) 2.104 11.473 ( -4.728 8.279 0.578) 9.551 11.638 ( -4.006 1.495 -3.214) 5.349 11.788 ( -2.043 7.001 3.223) 7.973 11.890 ( 0.657 3.956 -1.699) 4.355 13.032 ( -2.651 -2.979 6.753) 7.843 13.133 ( 1.139 -3.358 -4.324) 5.592 13.433 ( 1.343 6.087 0.302) 6.240 13.762 ( 1.101 -11.154 -1.228) 11.275 14.273 ( 0.039 -22.817 0.291) 22.819 14.402 ( 0.228 -18.990 -0.470) 18.997 14.923 ( -1.474 -7.876 0.890) 8.062 15.042 ( 0.522 -8.250 -1.757) 8.451 19.223 ( -2.550 28.717 0.545) 28.836 19.373 ( -2.521 26.144 -0.302) 26.267 21.160 ( -2.407 -14.777 1.258) 15.024 21.235 ( 0.238 -15.295 -0.692) 15.312 26.426 ( 0.710 13.667 0.114) 13.686 26.580 ( 1.123 16.315 -0.300) 16.356 27.298 ( -5.098 9.057 -4.801) 11.449 27.381 ( -7.577 12.611 5.470) 15.696 28.021 ( 1.071 3.126 -2.352) 4.056 28.120 ( 4.784 0.012 1.876) 5.138 28.686 ( -4.468 -9.090 0.347) 10.135 28.913 ( 2.060 -7.251 0.685) 7.569 29.184 ( 4.157 -2.023 0.939) 4.717 29.292 ( 9.360 -6.917 1.769) 11.772 29.942 ( -6.082 -6.842 -3.076) 9.657 30.405 ( 5.900 -17.403 -0.671) 18.388 ======================= Grid point 231 (102/114) ======================= q-point: ( 0.22 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 3.192 6.366 -7.850) 10.599 1.847 ( 10.720 4.314 2.528) 11.829 2.035 ( 4.713 12.183 3.302) 13.474 2.290 ( 8.101 9.617 -0.648) 12.591 2.600 ( 1.645 1.836 -0.244) 2.477 2.731 ( 3.982 6.178 -5.526) 9.196 3.003 ( -0.879 -2.166 -1.465) 2.759 3.099 ( -0.297 10.289 0.550) 10.308 3.274 ( 1.916 10.028 -0.498) 10.222 3.562 ( 1.106 3.904 4.813) 6.295 3.817 ( 1.800 2.148 -2.328) 3.643 3.990 ( -2.478 5.314 0.774) 5.914 4.055 ( 2.704 -2.672 2.955) 4.815 4.200 ( -2.405 7.076 -3.067) 8.078 4.327 ( 2.700 -4.383 1.352) 5.323 4.467 ( 7.290 -0.693 -1.218) 7.423 4.607 ( 3.776 -2.913 1.445) 4.983 4.929 ( 5.728 0.472 4.413) 7.246 4.981 ( 8.009 -2.230 -1.974) 8.545 5.089 ( 8.894 3.150 -0.138) 9.437 5.423 ( 2.817 3.994 0.195) 4.892 5.502 ( -0.178 2.027 2.828) 3.484 5.649 ( 0.418 2.630 0.533) 2.715 6.006 ( -4.194 -5.591 0.825) 7.038 6.402 ( -2.907 12.192 2.134) 12.714 6.533 ( -3.699 1.328 -3.119) 5.017 6.686 ( -1.416 0.320 -1.037) 1.784 6.928 ( -0.952 2.941 0.529) 3.136 7.194 ( -0.454 8.459 -5.549) 10.127 7.388 ( 3.910 2.861 -1.785) 5.163 7.663 ( 4.184 -0.086 -1.428) 4.422 7.982 ( 7.023 1.197 0.743) 7.163 8.557 ( -5.409 -0.230 6.458) 8.427 8.793 ( -0.173 8.392 -1.285) 8.492 9.024 ( 3.355 0.700 0.480) 3.461 9.150 ( 3.781 3.327 -2.108) 5.460 9.807 ( -3.111 -3.453 1.601) 4.916 10.024 ( -0.570 0.864 -0.843) 1.335 11.355 ( -6.669 7.020 1.774) 9.844 11.522 ( -7.016 5.161 -5.250) 10.170 11.774 ( -0.022 5.760 2.880) 6.440 11.893 ( 0.076 4.455 -0.771) 4.522 12.978 ( -2.928 -7.868 7.025) 10.947 13.154 ( 1.157 -0.019 -3.784) 3.957 13.467 ( 2.059 6.863 -0.487) 7.182 13.785 ( 1.198 -11.653 -0.900) 11.749 14.273 ( 0.004 -22.008 0.393) 22.011 14.406 ( 0.100 -18.050 -0.800) 18.068 14.896 ( -1.167 -7.415 0.801) 7.549 15.044 ( -0.365 -6.971 -1.750) 7.196 19.168 ( -2.685 28.625 1.200) 28.775 19.319 ( -2.604 26.696 -0.847) 26.836 21.112 ( -2.360 -14.373 1.269) 14.621 21.229 ( -0.795 -15.392 -0.617) 15.425 26.444 ( 0.992 15.224 0.204) 15.258 26.602 ( 0.926 17.970 -0.599) 18.004 27.183 ( -6.573 15.098 -3.618) 16.860 27.219 ( -7.637 10.506 3.996) 13.589 28.062 ( 2.988 1.102 -1.860) 3.688 28.209 ( 4.003 -2.164 1.586) 4.819 28.619 ( -2.533 -9.011 0.632) 9.382 28.878 ( -4.648 -8.576 0.431) 9.764 29.330 ( 9.342 -3.017 -0.628) 9.838 29.502 ( 10.827 -10.021 5.502) 15.746 29.834 ( -4.340 -2.184 -3.756) 6.141 30.510 ( 4.576 -17.986 -1.928) 18.659 ======================= Grid point 232 (103/114) ======================= q-point: ( 0.33 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 3.693 0.550 -7.912) 8.748 1.986 ( 3.569 0.948 2.774) 4.619 2.128 ( 5.325 12.811 2.319) 14.066 2.412 ( 2.438 1.851 -1.922) 3.614 2.656 ( 4.756 1.796 -0.267) 5.091 2.832 ( 6.207 10.368 -1.145) 12.139 2.975 ( -1.298 -0.639 0.361) 1.491 3.101 ( 0.508 15.100 0.233) 15.111 3.329 ( 2.957 6.782 -2.774) 7.901 3.523 ( -6.018 10.626 1.282) 12.279 3.790 ( -1.404 4.398 -2.116) 5.079 3.944 ( -0.695 1.097 0.355) 1.346 4.075 ( -1.924 -1.056 4.273) 4.804 4.152 ( -1.662 4.378 -2.040) 5.107 4.418 ( 6.022 -5.473 -0.506) 8.153 4.607 ( 4.255 -6.241 2.668) 8.011 4.719 ( 7.478 -1.658 0.322) 7.666 4.984 ( 0.478 1.701 3.323) 3.763 5.027 ( -0.769 1.649 -1.218) 2.190 5.308 ( 7.603 1.484 0.673) 7.775 5.466 ( 3.003 0.767 -1.409) 3.404 5.513 ( -0.127 1.955 1.491) 2.462 5.688 ( 2.702 3.204 2.223) 4.744 5.969 ( 2.267 -5.865 -0.006) 6.288 6.337 ( -2.940 4.418 -0.005) 5.307 6.501 ( -0.232 2.405 -1.007) 2.618 6.685 ( 1.040 -0.100 0.067) 1.047 6.904 ( -1.807 0.878 -0.290) 2.030 7.191 ( 0.581 13.133 -3.691) 13.654 7.442 ( 1.695 2.539 -1.306) 3.320 7.783 ( 8.106 0.732 -3.641) 8.916 8.089 ( 3.346 4.058 0.255) 5.265 8.454 ( -4.992 -2.544 5.918) 8.150 8.773 ( -1.931 7.249 0.274) 7.506 9.094 ( 3.646 2.114 0.310) 4.226 9.205 ( 1.841 9.269 -2.192) 9.702 9.768 ( -0.885 -5.008 1.351) 5.262 9.995 ( -2.202 -0.189 -0.483) 2.262 11.245 ( -4.232 5.960 2.561) 7.745 11.384 ( -6.376 7.729 -5.367) 11.366 11.775 ( -0.152 3.691 1.986) 4.194 11.900 ( 0.659 5.821 -0.115) 5.860 12.929 ( -2.232 -11.046 4.758) 12.232 13.172 ( 0.780 1.883 -2.320) 3.089 13.509 ( 2.115 7.348 -1.119) 7.727 13.803 ( 0.595 -12.054 -0.059) 12.068 14.274 ( 0.086 -21.251 0.322) 21.254 14.403 ( -0.352 -17.151 -0.765) 17.172 14.883 ( -0.252 -6.192 0.496) 6.217 15.028 ( -1.044 -6.337 -1.060) 6.509 19.129 ( -1.333 27.869 1.187) 27.926 19.279 ( -1.431 26.941 -0.934) 26.996 21.073 ( -1.607 -14.287 0.899) 14.405 21.209 ( -1.064 -15.220 -0.460) 15.264 26.464 ( 1.025 17.161 0.317) 17.195 26.608 ( -0.323 19.582 -0.802) 19.601 27.050 ( -5.766 14.966 0.691) 16.053 27.117 ( -3.595 12.710 -0.406) 13.215 28.131 ( 4.026 -1.250 -1.074) 4.350 28.267 ( 1.714 -3.319 0.902) 3.843 28.586 ( -0.791 -8.697 0.291) 8.737 28.770 ( -5.827 -8.396 0.388) 10.227 29.500 ( 7.479 -3.646 -0.756) 8.354 29.676 ( 5.438 -11.918 4.299) 13.788 29.785 ( 0.231 -0.669 -1.868) 1.998 30.578 ( 2.479 -17.488 -2.031) 17.779 ======================= Grid point 233 (104/114) ======================= q-point: ( 0.44 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 1.601 -2.394 -3.298) 4.379 2.016 ( 0.208 -2.457 0.473) 2.510 2.238 ( 4.847 10.175 2.655) 11.579 2.401 ( -2.099 2.925 -2.036) 4.136 2.751 ( 4.187 -0.151 -0.152) 4.193 2.865 ( -2.891 2.771 0.248) 4.012 3.021 ( 3.967 9.033 0.532) 9.880 3.134 ( 3.634 17.751 2.126) 18.244 3.319 ( -5.114 14.052 -6.315) 16.232 3.420 ( -1.410 7.723 1.641) 8.020 3.798 ( 0.955 1.342 0.112) 1.651 3.938 ( 0.031 -0.786 1.390) 1.597 4.018 ( -2.461 2.178 0.666) 3.353 4.147 ( 0.452 4.303 -0.607) 4.369 4.534 ( 5.760 -6.065 -2.001) 8.600 4.622 ( -2.465 -5.381 2.327) 6.360 4.844 ( 4.198 -0.200 -0.338) 4.216 4.943 ( -2.978 -0.442 1.529) 3.376 5.026 ( 0.324 2.351 0.580) 2.443 5.356 ( -0.666 -1.419 1.309) 2.042 5.486 ( 2.092 -3.246 -0.318) 3.875 5.532 ( -0.978 -2.737 -1.111) 3.112 5.748 ( 2.640 8.608 0.827) 9.042 6.054 ( 3.866 -1.538 0.222) 4.166 6.296 ( -1.233 -0.481 -0.584) 1.447 6.499 ( -0.131 2.688 -0.080) 2.692 6.713 ( 1.180 -0.378 0.376) 1.294 6.870 ( -1.196 -0.398 -0.301) 1.296 7.205 ( 0.605 14.829 -1.241) 14.893 7.460 ( 0.390 1.809 -0.417) 1.897 7.948 ( 7.810 3.610 -3.743) 9.383 8.095 ( -2.786 3.573 1.649) 4.822 8.388 ( -1.713 -2.673 2.339) 3.944 8.729 ( -1.848 6.196 0.575) 6.492 9.159 ( 2.644 4.015 0.756) 4.866 9.216 ( -0.482 12.165 -1.579) 12.276 9.768 ( 0.410 -5.089 0.631) 5.144 9.952 ( -1.551 -2.395 -0.224) 2.862 11.200 ( -0.665 4.725 2.001) 5.175 11.286 ( -3.096 9.711 -3.080) 10.648 11.771 ( -0.158 2.323 0.718) 2.437 11.913 ( 0.410 6.637 0.041) 6.649 12.900 ( -0.840 -12.497 1.630) 12.631 13.181 ( 0.238 2.653 -0.754) 2.769 13.541 ( 0.979 7.733 -0.614) 7.819 13.809 ( 0.109 -12.296 0.154) 12.297 14.276 ( 0.106 -20.728 0.141) 20.728 14.395 ( -0.319 -16.922 -0.328) 16.928 14.883 ( 0.144 -4.722 0.174) 4.727 15.010 ( -0.622 -6.602 -0.345) 6.641 19.115 ( -0.300 27.149 0.475) 27.155 19.261 ( -0.403 26.998 -0.392) 27.004 21.052 ( -0.560 -14.309 0.324) 14.324 21.193 ( -0.479 -15.051 -0.174) 15.060 26.482 ( 0.665 18.623 0.228) 18.636 26.594 ( -0.738 20.243 -0.452) 20.261 26.977 ( -1.775 14.363 0.357) 14.477 27.070 ( -1.228 14.010 -0.228) 14.066 28.208 ( 3.566 -3.087 -0.455) 4.738 28.271 ( -1.292 -3.685 0.394) 3.925 28.592 ( 1.372 -7.625 -0.142) 7.749 28.669 ( -4.040 -8.526 0.366) 9.441 29.603 ( 2.864 -0.900 0.220) 3.011 29.705 ( -0.262 -7.816 -0.945) 7.878 29.834 ( 2.334 -8.250 1.499) 8.703 30.608 ( 0.761 -16.929 -0.862) 16.968 ======================= Grid point 238 (105/114) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( 0.000 5.031 0.000) 5.031 1.608 ( -0.000 4.206 0.000) 4.206 2.122 ( 0.000 15.119 0.000) 15.119 2.540 ( -0.000 1.368 0.000) 1.368 2.613 ( 0.000 7.553 0.000) 7.553 2.736 ( -0.000 11.172 0.000) 11.172 2.920 ( -0.000 -1.591 0.000) 1.591 3.219 ( 0.000 -2.060 0.000) 2.060 3.365 ( -0.000 7.257 0.000) 7.257 3.550 ( 0.000 -1.902 0.000) 1.902 3.729 ( -0.000 -3.146 0.000) 3.146 3.787 ( 0.000 5.641 0.000) 5.641 3.931 ( 0.000 -5.720 0.000) 5.720 4.111 ( 0.000 -1.854 0.000) 1.854 4.296 ( 0.000 1.873 0.000) 1.873 4.467 ( -0.000 -5.972 0.000) 5.972 4.629 ( -0.000 -0.948 0.000) 0.948 4.752 ( -0.000 -5.485 0.000) 5.485 4.960 ( -0.000 8.997 0.000) 8.997 5.003 ( 0.000 12.771 0.000) 12.771 5.296 ( -0.000 -4.165 0.000) 4.165 5.431 ( 0.000 -2.056 0.000) 2.056 5.816 ( -0.000 -0.950 0.000) 0.950 5.982 ( 0.000 -5.030 0.000) 5.030 6.715 ( -0.000 7.890 0.000) 7.890 6.743 ( 0.000 6.074 0.000) 6.074 6.996 ( -0.000 5.719 0.000) 5.719 7.103 ( 0.000 -0.843 0.000) 0.843 7.110 ( 0.000 7.389 -0.000) 7.389 7.328 ( -0.000 -2.131 0.000) 2.131 7.758 ( 0.000 12.169 0.000) 12.169 7.771 ( -0.000 4.018 -0.000) 4.018 8.678 ( 0.000 -4.350 0.000) 4.350 8.696 ( -0.000 -11.378 0.000) 11.378 9.105 ( -0.000 13.061 -0.000) 13.061 9.133 ( 0.000 8.880 0.000) 8.880 9.927 ( 0.000 -1.621 -0.000) 1.621 9.958 ( -0.000 -1.261 0.000) 1.261 11.694 ( 0.000 2.115 0.000) 2.115 11.701 ( -0.000 7.639 -0.000) 7.639 11.908 ( -0.000 2.388 0.000) 2.388 11.974 ( 0.000 3.442 0.000) 3.442 12.940 ( -0.000 -6.148 0.000) 6.148 13.048 ( -0.000 -2.123 -0.000) 2.123 13.367 ( -0.000 -21.681 0.000) 21.681 13.383 ( 0.000 -12.700 -0.000) 12.700 14.053 ( 0.000 5.391 0.000) 5.391 14.247 ( -0.000 2.146 0.000) 2.146 14.743 ( 0.000 -10.131 0.000) 10.131 14.823 ( -0.000 -10.697 0.000) 10.697 19.837 ( -0.000 26.961 0.000) 26.961 19.938 ( -0.000 25.063 0.000) 25.063 20.822 ( -0.000 -19.617 0.000) 19.617 20.873 ( -0.000 -18.856 0.000) 18.856 26.690 ( 0.000 12.056 0.000) 12.056 26.853 ( -0.000 9.468 0.000) 9.468 27.407 ( -0.000 2.181 0.000) 2.181 27.623 ( 0.000 0.700 0.000) 0.700 28.099 ( 0.000 4.806 -0.000) 4.806 28.125 ( -0.000 3.449 0.000) 3.449 28.540 ( 0.000 -7.356 0.000) 7.356 28.720 ( -0.000 -9.107 0.000) 9.107 29.112 ( -0.000 -1.053 0.000) 1.053 29.134 ( -0.000 -0.853 -0.000) 0.853 29.901 ( -0.000 -1.853 0.000) 1.853 30.067 ( 0.000 -9.319 0.000) 9.319 ======================= Grid point 240 (106/114) ======================= q-point: ( 0.11 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 3.952 7.151 2.465) 8.534 1.706 ( 8.592 2.503 1.046) 9.010 2.152 ( 3.405 12.578 1.504) 13.117 2.514 ( -2.209 7.803 -2.795) 8.577 2.583 ( -1.448 0.238 -1.587) 2.161 2.798 ( 4.263 7.352 -3.038) 9.026 2.936 ( 1.981 0.785 -0.311) 2.153 3.225 ( 0.779 -0.273 0.352) 0.897 3.429 ( 4.717 7.338 -2.056) 8.962 3.576 ( 2.516 -0.623 2.480) 3.587 3.774 ( 1.007 3.287 1.332) 3.687 3.831 ( 7.598 -1.219 1.106) 7.774 3.987 ( 4.763 -4.795 0.525) 6.779 4.122 ( 0.940 -4.361 0.203) 4.466 4.281 ( 0.702 1.338 -0.374) 1.557 4.503 ( -5.973 -6.451 2.465) 9.131 4.620 ( 7.018 0.918 -0.692) 7.111 4.752 ( 2.962 -3.218 3.422) 5.553 4.908 ( -2.572 12.034 -2.404) 12.538 5.105 ( 5.707 6.682 -2.650) 9.178 5.323 ( 3.071 -2.961 -4.481) 6.187 5.458 ( 2.247 -2.911 4.527) 5.832 5.765 ( -4.551 -0.204 -0.475) 4.581 5.949 ( -3.562 -6.705 1.787) 7.800 6.665 ( -3.714 5.575 -0.945) 6.765 6.699 ( -5.745 2.898 -2.390) 6.864 6.902 ( -5.503 9.548 1.439) 11.114 7.039 ( -3.114 2.367 1.821) 4.314 7.243 ( 7.574 4.608 -1.654) 9.019 7.375 ( 4.449 -0.041 -0.991) 4.558 7.733 ( -0.649 10.236 1.909) 10.432 7.878 ( 8.184 5.490 -2.347) 10.130 8.604 ( -4.989 -5.298 5.531) 9.141 8.747 ( 2.628 -9.869 -3.864) 10.919 9.076 ( -0.589 11.472 0.032) 11.487 9.207 ( 5.074 8.603 -0.626) 10.007 9.864 ( -3.931 0.426 2.492) 4.674 10.006 ( 2.419 -1.983 -1.911) 3.666 11.630 ( -5.013 5.768 -0.591) 7.665 11.701 ( -1.387 5.683 -1.175) 5.966 11.901 ( -0.502 2.464 -0.838) 2.651 11.962 ( -1.207 2.614 0.856) 3.003 12.892 ( -4.173 -5.353 6.948) 9.713 13.073 ( 1.746 -3.782 -3.329) 5.332 13.356 ( -0.517 -19.088 1.780) 19.178 13.400 ( 1.335 -15.464 -3.186) 15.845 14.070 ( 1.582 5.997 0.006) 6.202 14.263 ( 1.595 2.885 -0.212) 3.304 14.727 ( -1.294 -9.967 0.431) 10.060 14.835 ( 0.923 -11.018 -1.073) 11.108 19.815 ( -2.101 27.231 0.348) 27.314 19.919 ( -1.719 25.534 -0.216) 25.593 20.801 ( -1.891 -19.357 0.703) 19.462 20.872 ( -0.273 -19.288 -0.468) 19.295 26.710 ( 1.940 12.655 0.104) 12.803 26.882 ( 2.763 10.227 -0.432) 10.603 27.380 ( -2.572 2.502 0.279) 3.598 27.570 ( -5.094 3.099 0.188) 5.966 28.084 ( -0.582 2.471 -2.340) 3.453 28.145 ( 1.268 2.586 2.258) 3.659 28.502 ( -2.926 -6.041 -0.628) 6.742 28.722 ( -0.994 -10.747 0.650) 10.812 29.155 ( 4.787 -0.292 0.432) 4.815 29.204 ( 6.376 -2.299 0.556) 6.801 29.877 ( -1.782 0.192 -0.978) 2.042 30.111 ( 3.699 -10.947 -0.130) 11.556 ======================= Grid point 241 (107/114) ======================= q-point: ( 0.22 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( -0.398 9.319 -0.879) 9.369 1.871 ( 6.470 -1.216 3.092) 7.274 2.255 ( 6.168 8.811 2.883) 11.135 2.478 ( -0.968 8.742 -4.733) 9.988 2.576 ( 1.168 -3.696 -1.302) 4.089 2.848 ( 0.686 -3.134 -1.374) 3.490 3.018 ( 6.621 9.835 -2.037) 12.030 3.260 ( 3.069 3.330 0.679) 4.579 3.489 ( 1.488 8.560 -3.069) 9.214 3.632 ( 2.795 2.206 4.309) 5.589 3.812 ( 2.771 0.727 2.301) 3.674 3.970 ( 3.683 -3.050 0.096) 4.783 4.060 ( 0.707 0.395 0.917) 1.223 4.176 ( 5.898 -6.303 1.738) 8.805 4.256 ( -4.276 -1.050 0.295) 4.413 4.429 ( 1.035 -5.659 -0.657) 5.790 4.734 ( 1.117 12.116 -2.852) 12.497 4.885 ( 6.403 -2.657 4.468) 8.247 4.924 ( 8.179 0.666 -0.551) 8.224 5.201 ( 4.832 4.263 -3.403) 7.287 5.403 ( 3.963 -2.879 -6.005) 7.749 5.509 ( 3.319 -3.522 5.905) 7.635 5.685 ( -2.210 0.240 0.446) 2.267 5.855 ( -4.879 -7.909 2.083) 9.523 6.550 ( -7.609 2.677 -1.839) 8.273 6.598 ( -3.309 1.803 -1.196) 3.953 6.805 ( -4.588 9.522 1.373) 10.658 6.983 ( -3.160 1.300 0.880) 3.528 7.380 ( 6.347 6.763 -2.116) 9.513 7.497 ( 8.017 5.060 -2.048) 9.699 7.724 ( -0.504 9.030 2.091) 9.282 8.051 ( 8.773 4.068 -2.493) 9.986 8.496 ( -6.231 -3.561 5.658) 9.139 8.780 ( 0.562 -9.437 -2.325) 9.735 9.099 ( 3.081 9.707 -0.323) 10.189 9.306 ( 4.855 5.732 -0.797) 7.554 9.795 ( -3.050 3.181 2.172) 4.913 10.032 ( 0.093 -1.529 -1.157) 1.920 11.516 ( -6.147 8.376 0.085) 10.390 11.649 ( -3.532 7.424 -4.364) 9.308 11.890 ( -0.978 3.445 1.885) 4.047 11.937 ( -0.824 -0.516 0.021) 0.973 12.807 ( -4.579 -5.369 6.892) 9.864 13.094 ( 0.308 -7.726 -1.418) 7.861 13.359 ( 0.987 -17.023 0.000) 17.051 13.426 ( 1.366 -15.946 -2.606) 16.215 14.108 ( 2.235 7.443 0.053) 7.771 14.300 ( 1.842 4.686 -0.303) 5.045 14.705 ( -0.779 -10.143 0.503) 10.186 14.847 ( 0.168 -11.311 -1.379) 11.395 19.766 ( -2.699 27.648 0.866) 27.793 19.881 ( -1.984 26.320 -0.630) 26.402 20.760 ( -2.191 -19.209 0.855) 19.352 20.860 ( -0.890 -19.711 -0.556) 19.739 26.759 ( 2.914 14.107 0.235) 14.407 26.946 ( 3.380 12.451 -0.868) 12.931 27.318 ( -3.508 2.895 0.702) 4.602 27.448 ( -6.634 6.936 0.007) 9.598 28.083 ( 0.529 0.156 -2.313) 2.378 28.170 ( 1.153 -0.923 2.175) 2.630 28.449 ( -2.251 -5.287 -0.477) 5.766 28.669 ( -4.133 -10.673 0.464) 11.455 29.283 ( 7.567 -1.101 -0.015) 7.647 29.352 ( 7.951 -4.574 1.654) 9.320 29.849 ( -0.968 3.254 -1.037) 3.550 30.186 ( 3.691 -12.943 -0.594) 13.472 ======================= Grid point 242 (108/114) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -1.639 6.755 -3.716) 7.882 1.925 ( -0.670 -5.893 1.573) 6.136 2.358 ( 3.890 8.970 3.934) 10.539 2.478 ( 1.039 5.258 -3.645) 6.481 2.632 ( 3.902 -3.015 -0.602) 4.968 2.839 ( -0.901 -6.555 0.769) 6.661 3.163 ( 7.275 12.853 -1.944) 14.896 3.349 ( 5.613 5.649 1.815) 8.168 3.508 ( 1.305 10.608 -3.911) 11.381 3.679 ( 1.228 4.176 5.420) 6.951 3.859 ( 1.332 0.348 -0.185) 1.389 3.969 ( -4.402 3.064 -2.193) 5.794 4.015 ( -0.949 -1.447 1.476) 2.274 4.192 ( -0.422 -2.310 2.133) 3.172 4.325 ( 5.169 -3.645 0.062) 6.326 4.454 ( 1.160 -8.286 -1.287) 8.465 4.726 ( 0.495 5.852 -1.255) 6.006 4.974 ( -0.970 -1.114 3.822) 4.098 5.048 ( 4.596 0.907 -0.145) 4.687 5.281 ( 1.934 -4.026 -4.212) 6.140 5.426 ( 0.636 -1.551 -4.031) 4.366 5.556 ( -1.670 -1.239 3.255) 3.863 5.745 ( 8.305 0.446 4.925) 9.665 5.865 ( 7.268 -3.898 -0.878) 8.293 6.419 ( -5.800 3.763 -1.722) 7.125 6.541 ( -2.516 -0.372 -0.227) 2.554 6.746 ( -1.189 5.702 0.901) 5.893 6.911 ( -3.925 -0.678 0.242) 3.990 7.482 ( 4.151 8.300 -2.374) 9.579 7.633 ( 2.621 19.609 -0.205) 19.784 7.758 ( 6.976 -3.055 -0.545) 7.635 8.187 ( 4.318 2.552 -1.106) 5.136 8.378 ( -5.405 -1.920 3.848) 6.907 8.759 ( -2.538 -8.488 -0.914) 8.907 9.188 ( 5.542 8.196 -0.538) 9.908 9.389 ( 3.554 4.241 -0.140) 5.536 9.753 ( -1.267 4.850 1.353) 5.192 10.005 ( -2.760 -0.715 -0.491) 2.893 11.411 ( -4.277 10.311 0.464) 11.173 11.576 ( -3.290 10.084 -5.129) 11.782 11.859 ( -1.914 3.720 3.447) 5.421 11.938 ( 0.597 -3.219 -0.612) 3.331 12.730 ( -3.383 -6.079 4.514) 8.294 13.085 ( -0.946 -12.988 0.137) 13.023 13.393 ( 2.202 -14.331 -1.172) 14.546 13.447 ( 0.816 -15.125 -1.450) 15.217 14.153 ( 2.258 9.179 0.143) 9.454 14.322 ( 0.316 6.211 -0.302) 6.226 14.704 ( 0.774 -10.405 0.615) 10.451 14.838 ( -1.023 -11.436 -1.279) 11.553 19.721 ( -1.834 27.690 0.949) 27.767 19.848 ( -1.274 26.687 -0.729) 26.728 20.722 ( -1.586 -19.181 0.688) 19.259 20.841 ( -0.929 -19.787 -0.463) 19.814 26.816 ( 2.819 15.639 0.406) 15.897 26.994 ( 1.239 15.228 -1.214) 15.326 27.256 ( -2.573 4.234 0.943) 5.044 27.337 ( -4.387 8.191 -0.119) 9.293 28.102 ( 1.481 -1.711 -1.833) 2.912 28.185 ( 0.099 -4.091 1.634) 4.406 28.421 ( -0.391 -5.426 -0.393) 5.455 28.579 ( -4.780 -9.210 0.491) 10.388 29.424 ( 6.542 -2.684 -0.648) 7.101 29.487 ( 5.380 -6.088 1.976) 8.361 29.838 ( -0.099 5.336 -0.622) 5.373 30.247 ( 2.462 -13.910 -0.681) 14.143 ======================= Grid point 243 (109/114) ======================= q-point: ( 0.44 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.353 3.441 -2.216) 4.108 1.890 ( -1.641 -8.527 0.362) 8.691 2.412 ( 1.611 7.102 1.849) 7.514 2.495 ( 0.404 5.991 -1.133) 6.111 2.688 ( 1.417 -4.032 -0.416) 4.294 2.833 ( 0.178 -4.960 0.941) 5.051 3.279 ( 4.426 11.960 -0.875) 12.783 3.412 ( -0.325 5.974 1.624) 6.200 3.570 ( 5.201 12.444 -4.499) 14.217 3.659 ( -3.424 9.649 4.120) 11.036 3.868 ( 0.425 3.932 0.375) 3.972 3.898 ( -1.672 1.463 -2.041) 3.017 4.001 ( -1.342 -1.664 1.190) 2.447 4.213 ( 1.674 -0.126 1.694) 2.385 4.381 ( 1.701 -6.190 -1.575) 6.609 4.474 ( 0.311 -8.724 -0.295) 8.735 4.764 ( 3.099 -3.423 -0.510) 4.645 4.866 ( -6.860 -4.538 1.550) 8.370 5.136 ( 3.437 3.590 0.356) 4.982 5.269 ( -1.709 -4.727 -2.143) 5.465 5.452 ( 1.870 -0.002 -1.338) 2.299 5.503 ( -2.758 0.259 1.973) 3.401 5.907 ( 5.760 3.394 2.565) 7.161 6.017 ( 5.120 -2.623 -1.234) 5.884 6.328 ( -3.004 3.844 -0.837) 4.950 6.504 ( -1.042 -2.266 0.027) 2.494 6.750 ( 0.792 3.101 0.372) 3.222 6.849 ( -1.971 -1.454 0.025) 2.449 7.536 ( 1.443 7.284 -1.497) 7.575 7.629 ( -0.834 20.408 1.096) 20.454 7.947 ( 9.756 -2.895 -2.810) 10.557 8.155 ( -6.582 1.947 3.329) 7.629 8.351 ( 1.598 0.014 -0.642) 1.722 8.699 ( -2.597 -8.895 -0.169) 9.268 9.284 ( 3.321 8.180 -0.195) 8.830 9.436 ( 1.057 5.670 0.139) 5.770 9.748 ( 0.451 4.015 0.468) 4.068 9.943 ( -2.643 -0.332 -0.162) 2.669 11.357 ( -1.345 10.771 0.267) 10.858 11.529 ( -1.257 12.401 -2.300) 12.675 11.831 ( -0.886 3.069 1.534) 3.543 11.949 ( 0.349 -4.131 -0.168) 4.150 12.685 ( -1.236 -6.687 1.511) 6.966 13.068 ( -0.566 -16.156 0.231) 16.168 13.432 ( 1.670 -13.444 -0.912) 13.578 13.453 ( -0.312 -13.789 -0.152) 13.793 14.190 ( 1.296 10.867 0.115) 10.945 14.316 ( -0.591 6.108 -0.164) 6.139 14.729 ( 1.251 -9.701 0.508) 9.795 14.812 ( -1.206 -11.965 -0.744) 12.048 19.697 ( -0.593 27.499 0.402) 27.508 19.832 ( -0.406 26.706 -0.316) 26.711 20.701 ( -0.564 -19.159 0.265) 19.169 20.827 ( -0.385 -19.695 -0.183) 19.700 26.862 ( 1.563 16.634 0.326) 16.710 26.993 ( -0.765 16.078 -0.694) 16.112 27.230 ( -0.280 8.444 0.359) 8.457 27.280 ( -1.593 6.097 0.011) 6.302 28.136 ( 1.916 -3.641 -1.358) 4.333 28.173 ( -1.335 -5.180 1.260) 5.495 28.436 ( 1.903 -6.284 -0.481) 6.583 28.494 ( -3.786 -7.460 0.545) 8.384 29.522 ( 3.236 -4.314 -0.918) 5.470 29.551 ( 1.065 -5.856 1.374) 6.109 29.840 ( 0.131 6.038 -0.155) 6.041 30.279 ( 0.855 -14.193 -0.293) 14.222 ======================= Grid point 248 (110/114) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.000 -2.835 0.000) 2.835 1.614 ( -0.000 2.835 0.000) 2.835 2.407 ( 0.000 -11.086 0.000) 11.086 2.407 ( 0.000 11.086 0.000) 11.086 2.769 ( -0.000 -5.940 0.000) 5.940 2.769 ( 0.000 5.940 0.000) 5.940 3.076 ( -0.000 -10.774 0.000) 10.774 3.076 ( 0.000 10.774 0.000) 10.774 3.481 ( -0.000 -3.605 0.000) 3.605 3.481 ( 0.000 3.605 0.000) 3.605 3.748 ( -0.000 -5.248 0.000) 5.248 3.748 ( -0.000 5.248 0.000) 5.248 4.014 ( -0.000 -8.086 0.000) 8.086 4.014 ( -0.000 8.086 0.000) 8.086 4.350 ( 0.000 -3.813 0.000) 3.813 4.350 ( -0.000 3.813 0.000) 3.813 4.650 ( -0.000 -3.353 0.000) 3.353 4.650 ( 0.000 3.353 0.000) 3.353 5.112 ( -0.000 -3.799 0.000) 3.799 5.112 ( 0.000 3.799 0.000) 3.799 5.313 ( -0.000 -6.827 0.000) 6.827 5.313 ( 0.000 6.827 0.000) 6.827 5.867 ( 0.000 -5.126 0.000) 5.126 5.867 ( 0.000 5.126 0.000) 5.126 6.795 ( 0.000 -0.720 0.000) 0.720 6.795 ( -0.000 0.720 0.000) 0.720 7.069 ( 0.000 -2.265 0.000) 2.265 7.069 ( -0.000 2.265 0.000) 2.265 7.257 ( 0.000 -4.897 0.000) 4.897 7.257 ( 0.000 4.897 0.000) 4.897 7.888 ( -0.000 -2.719 0.000) 2.719 7.888 ( -0.000 2.719 0.000) 2.719 8.579 ( -0.000 -1.892 0.000) 1.892 8.579 ( -0.000 1.892 0.000) 1.892 9.261 ( 0.000 -0.400 0.000) 0.400 9.261 ( -0.000 0.400 0.000) 0.400 9.917 ( -0.000 -1.607 0.000) 1.607 9.917 ( 0.000 1.607 0.000) 1.607 11.760 ( -0.000 -2.654 0.000) 2.654 11.760 ( -0.000 2.654 0.000) 2.654 11.969 ( 0.000 -3.608 0.000) 3.608 11.969 ( -0.000 3.608 0.000) 3.608 12.952 ( -0.000 -7.246 0.000) 7.246 12.952 ( -0.000 7.246 0.000) 7.246 13.142 ( 0.000 -4.972 -0.000) 4.972 13.142 ( -0.000 4.972 0.000) 4.972 14.248 ( 0.000 -7.043 0.000) 7.043 14.248 ( -0.000 7.043 0.000) 7.043 14.639 ( -0.000 -3.938 0.000) 3.938 14.639 ( -0.000 3.938 0.000) 3.938 20.359 ( -0.000 -18.541 0.000) 18.541 20.359 ( -0.000 18.541 0.000) 18.541 20.449 ( -0.000 -17.434 0.000) 17.434 20.449 ( -0.000 17.434 0.000) 17.434 26.888 ( 0.000 -5.592 0.000) 5.592 26.888 ( -0.000 5.592 0.000) 5.592 27.523 ( -0.000 -7.797 0.000) 7.797 27.523 ( -0.000 7.797 0.000) 7.797 28.169 ( -0.000 -0.168 0.000) 0.168 28.169 ( -0.000 0.168 0.000) 0.168 28.529 ( -0.000 -6.529 0.000) 6.529 28.529 ( -0.000 6.529 0.000) 6.529 29.116 ( -0.000 -0.799 0.000) 0.799 29.116 ( -0.000 0.799 0.000) 0.799 29.927 ( 0.000 -4.078 0.000) 4.078 29.927 ( -0.000 4.078 0.000) 4.078 ======================= Grid point 252 (111/114) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 6.530 -3.500 2.338) 7.769 1.693 ( 6.530 3.500 2.338) 7.769 2.404 ( 0.017 -10.449 -0.247) 10.452 2.404 ( 0.017 10.449 -0.247) 10.452 2.744 ( -2.236 -7.784 -2.267) 8.410 2.744 ( -2.236 7.784 -2.267) 8.410 3.116 ( 3.882 -9.395 -0.400) 10.174 3.116 ( 3.882 9.395 -0.400) 10.174 3.530 ( 4.069 -2.750 0.441) 4.931 3.530 ( 4.069 2.750 0.441) 4.931 3.822 ( 6.487 -3.542 0.459) 7.405 3.822 ( 6.487 3.542 0.459) 7.405 4.006 ( 0.185 -6.752 0.752) 6.796 4.006 ( 0.185 6.752 0.752) 6.796 4.357 ( -1.118 -5.908 0.236) 6.017 4.357 ( -1.118 5.908 0.236) 6.017 4.661 ( 3.925 -3.584 1.884) 5.639 4.661 ( 3.925 3.584 1.884) 5.639 5.141 ( 2.005 -6.505 -3.476) 7.643 5.141 ( 2.005 6.505 -3.476) 7.643 5.332 ( 1.982 -6.234 -0.425) 6.555 5.332 ( 1.982 6.234 -0.425) 6.555 5.817 ( -4.805 -5.177 1.793) 7.287 5.817 ( -4.805 5.177 1.793) 7.287 6.720 ( -6.437 -0.532 -1.780) 6.700 6.720 ( -6.437 0.532 -1.780) 6.700 7.032 ( -3.009 -3.040 1.102) 4.417 7.032 ( -3.009 3.040 1.102) 4.417 7.341 ( 6.827 -3.235 0.856) 7.603 7.341 ( 6.827 3.235 0.856) 7.603 7.925 ( 3.372 -5.249 -0.743) 6.283 7.925 ( 3.372 5.249 -0.743) 6.283 8.572 ( -0.641 -4.949 0.187) 4.993 8.572 ( -0.641 4.949 0.187) 4.993 9.266 ( 0.581 -4.416 0.009) 4.454 9.266 ( 0.581 4.416 0.009) 4.454 9.924 ( 0.585 -4.934 -0.070) 4.969 9.924 ( 0.585 4.934 -0.070) 4.969 11.743 ( -1.725 -4.235 -0.514) 4.602 11.743 ( -1.725 4.235 -0.514) 4.602 11.951 ( -1.767 -3.796 -0.385) 4.205 11.951 ( -1.767 3.796 -0.385) 4.205 12.920 ( -3.181 -8.359 4.171) 9.868 12.920 ( -3.181 8.359 4.171) 9.868 13.161 ( 1.950 -4.321 -2.846) 5.529 13.161 ( 1.950 4.321 -2.846) 5.529 14.272 ( 2.348 -7.391 -0.207) 7.757 14.272 ( 2.348 7.391 -0.207) 7.757 14.635 ( -0.476 -5.105 -0.271) 5.134 14.635 ( -0.476 5.105 -0.271) 5.134 20.343 ( -1.556 -20.296 0.340) 20.358 20.343 ( -1.556 20.296 0.340) 20.358 20.436 ( -1.159 -19.560 -0.219) 19.595 20.436 ( -1.159 19.560 -0.219) 19.595 26.919 ( 3.070 -6.033 -0.041) 6.769 26.919 ( 3.070 6.033 -0.041) 6.769 27.499 ( -2.403 -7.594 -0.019) 7.965 27.499 ( -2.403 7.594 -0.019) 7.965 28.150 ( -1.627 -2.774 0.098) 3.218 28.150 ( -1.627 2.774 0.098) 3.218 28.515 ( -1.551 -7.193 -0.171) 7.360 28.515 ( -1.551 7.193 -0.171) 7.360 29.169 ( 4.997 -1.281 0.354) 5.170 29.169 ( 4.997 1.281 0.354) 5.170 29.939 ( 1.118 -5.604 -0.241) 5.720 29.939 ( 1.118 5.604 -0.241) 5.720 ======================= Grid point 254 (112/114) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 1.757 -6.462 2.031) 6.998 1.790 ( 1.757 6.462 2.031) 6.998 2.430 ( 3.210 -7.939 0.203) 8.566 2.430 ( 3.210 7.939 0.203) 8.566 2.695 ( -2.355 -9.566 -2.401) 10.140 2.695 ( -2.355 9.566 -2.401) 10.140 3.220 ( 6.590 -6.719 -1.132) 9.479 3.220 ( 6.590 6.719 -1.132) 9.479 3.610 ( 3.878 -3.552 0.463) 5.279 3.610 ( 3.878 3.552 0.463) 5.279 3.901 ( 0.853 -4.679 2.794) 5.516 3.901 ( 0.853 4.679 2.794) 5.516 4.072 ( 5.393 -2.357 0.667) 5.923 4.072 ( 5.393 2.357 0.667) 5.923 4.297 ( -3.137 -5.176 -0.465) 6.070 4.297 ( -3.137 5.176 -0.465) 6.070 4.835 ( 10.975 -2.228 1.713) 11.329 4.835 ( 10.975 2.228 1.713) 11.329 5.144 ( -2.048 -12.599 -4.539) 13.547 5.144 ( -2.048 12.599 -4.539) 13.547 5.390 ( 4.000 -4.550 -1.830) 6.328 5.390 ( 4.000 4.550 -1.830) 6.328 5.726 ( -2.614 -4.135 3.710) 6.140 5.726 ( -2.614 4.135 3.710) 6.140 6.593 ( -5.851 -1.460 -1.940) 6.334 6.593 ( -5.851 1.460 -1.940) 6.334 6.954 ( -4.938 -4.182 1.237) 6.588 6.954 ( -4.938 4.182 1.237) 6.588 7.492 ( 8.318 -3.721 0.706) 9.139 7.492 ( 8.318 3.721 0.706) 9.139 7.991 ( 2.789 -11.210 -0.456) 11.561 7.991 ( 2.789 11.210 -0.456) 11.561 8.556 ( -1.037 -9.688 -0.388) 9.751 8.556 ( -1.037 9.688 -0.388) 9.751 9.290 ( 2.068 -6.599 0.392) 6.927 9.290 ( 2.068 6.599 0.392) 6.927 9.932 ( 0.033 -7.567 -0.232) 7.571 9.932 ( 0.033 7.567 -0.232) 7.571 11.699 ( -2.578 -6.934 -0.922) 7.455 11.699 ( -2.578 6.934 -0.922) 7.455 11.909 ( -2.269 -3.560 -0.405) 4.241 11.909 ( -2.269 3.560 -0.405) 4.241 12.843 ( -4.577 -9.804 4.811) 11.841 12.843 ( -4.577 9.804 4.811) 11.841 13.209 ( 2.913 -2.897 -2.920) 5.040 13.209 ( 2.913 2.897 -2.920) 5.040 14.331 ( 3.530 -8.496 -0.141) 9.202 14.331 ( 3.530 8.496 -0.141) 9.202 14.619 ( -1.117 -7.374 -0.497) 7.475 14.619 ( -1.117 7.374 -0.497) 7.475 20.302 ( -2.484 -21.472 0.686) 21.626 20.302 ( -2.484 21.472 0.686) 21.626 20.411 ( -1.182 -21.158 -0.496) 21.197 20.411 ( -1.182 21.158 -0.496) 21.197 26.996 ( 4.388 -7.020 -0.008) 8.278 26.996 ( 4.388 7.020 -0.008) 8.278 27.437 ( -3.663 -6.787 -0.153) 7.714 27.437 ( -3.663 6.787 -0.153) 7.714 28.120 ( -1.280 -3.691 0.171) 3.911 28.120 ( -1.280 3.691 0.171) 3.911 28.471 ( -2.695 -6.891 -0.143) 7.401 28.471 ( -2.695 6.891 -0.143) 7.401 29.289 ( 6.745 -1.655 0.447) 6.960 29.289 ( 6.745 1.655 0.447) 6.960 29.967 ( 1.664 -8.051 -0.349) 8.229 29.967 ( 1.664 8.051 -0.349) 8.229 ======================= Grid point 256 (113/114) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -3.507 -8.933 -0.129) 9.598 1.762 ( -3.507 8.933 -0.129) 9.598 2.509 ( 3.557 -5.498 0.803) 6.597 2.509 ( 3.557 5.498 0.803) 6.597 2.667 ( 0.065 -8.656 -0.757) 8.689 2.667 ( 0.065 8.656 -0.757) 8.689 3.352 ( 6.358 -4.670 -1.958) 8.128 3.352 ( 6.358 4.670 -1.958) 8.128 3.678 ( 3.034 -4.416 1.962) 5.707 3.678 ( 3.034 4.416 1.962) 5.707 3.913 ( 1.032 -4.091 2.249) 4.781 3.913 ( 1.032 4.091 2.249) 4.781 4.118 ( -0.756 -6.064 0.652) 6.146 4.118 ( -0.756 6.064 0.652) 6.146 4.292 ( 2.262 -3.525 -1.660) 4.505 4.292 ( 2.262 3.525 -1.660) 4.505 4.905 ( -5.827 -6.794 2.183) 9.213 4.905 ( -5.827 6.794 2.183) 9.213 5.134 ( 3.331 -7.789 -4.650) 9.663 5.134 ( 3.331 7.789 -4.650) 9.663 5.464 ( 2.628 -5.102 -1.044) 5.833 5.464 ( 2.628 5.102 -1.044) 5.833 5.786 ( 8.309 -3.683 3.032) 9.581 5.786 ( 8.309 3.683 3.032) 9.581 6.495 ( -4.220 -3.299 -1.609) 5.593 6.495 ( -4.220 3.299 -1.609) 5.593 6.860 ( -4.183 -4.248 1.157) 6.073 6.860 ( -4.183 4.248 1.157) 6.073 7.642 ( 6.261 -7.059 0.278) 9.440 7.642 ( 6.261 7.059 0.278) 9.440 8.033 ( 2.135 -14.925 0.372) 15.081 8.033 ( 2.135 14.925 0.372) 15.081 8.521 ( -2.827 -12.090 -1.288) 12.483 8.521 ( -2.827 12.090 -1.288) 12.483 9.353 ( 4.255 -6.079 0.860) 7.469 9.353 ( 4.255 6.079 0.860) 7.469 9.917 ( -1.563 -7.642 -0.401) 7.811 9.917 ( -1.563 7.642 -0.401) 7.811 11.649 ( -2.259 -8.927 -0.924) 9.254 11.649 ( -2.259 8.927 -0.924) 9.254 11.872 ( -1.361 -2.155 -0.223) 2.559 11.872 ( -1.361 2.155 -0.223) 2.559 12.759 ( -3.984 -10.670 3.494) 11.913 12.759 ( -3.984 10.670 3.494) 11.913 13.264 ( 2.579 -1.549 -1.930) 3.574 13.264 ( 2.579 1.549 -1.930) 3.574 14.402 ( 3.602 -9.801 0.138) 10.443 14.402 ( 3.602 9.801 0.138) 10.443 14.590 ( -1.867 -9.237 -0.622) 9.445 14.590 ( -1.867 9.237 -0.622) 9.445 20.256 ( -2.091 -20.196 0.654) 20.315 20.256 ( -2.091 20.196 0.654) 20.315 20.393 ( -0.686 -19.989 -0.484) 20.007 20.393 ( -0.686 19.989 -0.484) 20.007 27.075 ( 3.477 -7.512 0.109) 8.279 27.075 ( 3.477 7.512 0.109) 8.279 27.369 ( -2.963 -5.515 -0.298) 6.268 27.369 ( -2.963 5.515 -0.298) 6.268 28.102 ( -0.599 -2.918 0.163) 2.983 28.102 ( -0.599 2.918 0.163) 2.983 28.419 ( -2.386 -4.944 -0.049) 5.490 28.419 ( -2.386 4.944 -0.049) 5.490 29.410 ( 5.238 -1.447 0.323) 5.444 29.410 ( 5.238 1.447 0.323) 5.444 29.998 ( 1.447 -9.807 -0.278) 9.917 29.998 ( 1.447 9.807 -0.278) 9.917 ======================= Grid point 258 (114/114) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -1.981 -8.620 -0.447) 8.856 1.700 ( -1.981 8.620 -0.447) 8.856 2.542 ( 0.289 -4.603 0.002) 4.612 2.542 ( 0.289 4.603 0.002) 4.612 2.693 ( 1.507 -6.882 0.428) 7.058 2.693 ( 1.507 6.882 0.428) 7.058 3.439 ( 2.296 -2.931 -1.291) 3.941 3.439 ( 2.296 2.931 -1.291) 3.941 3.729 ( 1.779 -2.046 1.875) 3.296 3.729 ( 1.779 2.046 1.875) 3.296 3.936 ( 0.674 -5.411 0.462) 5.473 3.936 ( 0.674 5.411 0.462) 5.473 4.093 ( -0.942 -10.941 -0.065) 10.981 4.093 ( -0.942 10.941 -0.065) 10.981 4.334 ( 1.508 -2.822 -0.765) 3.290 4.334 ( 1.508 2.822 -0.765) 3.290 4.771 ( -4.886 -3.802 0.521) 6.213 4.771 ( -4.886 3.802 0.521) 6.213 5.189 ( 1.599 -2.603 -1.501) 3.404 5.189 ( 1.599 2.603 -1.501) 3.404 5.489 ( 0.395 -2.321 0.160) 2.360 5.489 ( 0.395 2.321 0.160) 2.360 5.951 ( 5.769 -2.721 0.809) 6.430 5.951 ( 5.769 2.721 0.809) 6.430 6.427 ( -2.322 -4.730 -0.660) 5.311 6.427 ( -2.322 4.730 -0.660) 5.311 6.809 ( -1.114 -2.399 0.488) 2.690 6.809 ( -1.114 2.399 0.488) 2.690 7.715 ( 1.395 -8.489 0.016) 8.603 7.715 ( 1.395 8.489 0.016) 8.603 8.088 ( 2.733 -10.149 0.576) 10.527 8.088 ( 2.733 10.149 0.576) 10.527 8.456 ( -2.821 -10.753 -0.959) 11.158 8.456 ( -2.821 10.753 -0.959) 11.158 9.432 ( 2.826 -4.671 0.530) 5.485 9.432 ( 2.826 4.671 0.530) 5.485 9.881 ( -1.492 -5.887 -0.270) 6.079 9.881 ( -1.492 5.887 -0.270) 6.079 11.617 ( -0.867 -9.971 -0.385) 10.016 11.617 ( -0.867 9.971 -0.385) 10.016 11.856 ( -0.361 -0.700 -0.072) 0.791 11.856 ( -0.361 0.700 -0.072) 0.791 12.703 ( -1.601 -10.956 1.268) 11.145 12.703 ( -1.601 10.956 1.268) 11.145 13.300 ( 1.028 -0.617 -0.666) 1.372 13.300 ( 1.028 0.617 -0.666) 1.372 14.465 ( 2.559 -8.589 0.317) 8.968 14.465 ( 2.559 8.589 0.317) 8.968 14.549 ( -1.963 -8.000 -0.490) 8.252 14.549 ( -1.963 8.000 -0.490) 8.252 20.227 ( -0.784 -19.032 0.260) 19.050 20.227 ( -0.784 19.032 0.260) 19.050 20.384 ( -0.207 -18.813 -0.192) 18.815 20.384 ( -0.207 18.813 -0.192) 18.815 27.122 ( 1.191 -5.969 0.104) 6.087 27.122 ( 1.191 5.969 0.104) 6.087 27.330 ( -0.994 -2.633 -0.188) 2.820 27.330 ( -0.994 2.633 -0.188) 2.820 28.095 ( -0.186 -1.113 0.067) 1.130 28.095 ( -0.186 1.113 0.067) 1.130 28.386 ( -0.920 -1.987 -0.006) 2.190 28.386 ( -0.920 1.987 -0.006) 2.190 29.482 ( 1.925 -0.701 0.112) 2.052 29.482 ( 1.925 0.701 0.112) 2.052 30.019 ( 0.573 -10.633 -0.101) 10.649 30.019 ( 0.573 10.633 -0.101) 10.649 =================== 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 3/23760 10.0 210.014 234.410 196.617 0.000 16.442 0.000 3/23760 20.0 33.475 49.056 35.958 0.000 1.599 0.000 3/23760 30.0 13.043 21.255 14.438 0.000 0.308 0.000 3/23760 40.0 7.270 12.668 8.142 0.000 0.078 0.000 3/23760 50.0 4.878 8.812 5.465 0.000 0.017 0.000 3/23760 60.0 3.643 6.704 4.060 0.000 -0.002 0.000 3/23760 70.0 2.908 5.404 3.217 0.000 -0.009 0.000 3/23760 80.0 2.424 4.536 2.662 0.000 -0.012 0.000 3/23760 90.0 2.084 3.924 2.272 0.000 -0.013 0.000 3/23760 100.0 1.831 3.475 1.984 0.000 -0.014 0.000 3/23760 110.0 1.635 3.135 1.764 0.000 -0.014 0.000 3/23760 120.0 1.480 2.872 1.589 0.000 -0.014 0.000 3/23760 130.0 1.353 2.666 1.448 0.000 -0.014 0.000 3/23760 140.0 1.247 2.500 1.331 0.000 -0.014 0.000 3/23760 150.0 1.158 2.366 1.233 0.000 -0.013 0.000 3/23760 160.0 1.082 2.255 1.149 0.000 -0.013 0.000 3/23760 170.0 1.016 2.162 1.077 0.000 -0.013 0.000 3/23760 180.0 0.958 2.084 1.014 0.000 -0.013 0.000 3/23760 190.0 0.907 2.016 0.959 0.000 -0.012 0.000 3/23760 200.0 0.862 1.958 0.910 0.000 -0.012 0.000 3/23760 210.0 0.822 1.906 0.866 0.000 -0.012 0.000 3/23760 220.0 0.786 1.860 0.827 0.000 -0.011 0.000 3/23760 230.0 0.753 1.818 0.792 0.000 -0.011 0.000 3/23760 240.0 0.724 1.779 0.760 0.000 -0.010 0.000 3/23760 250.0 0.697 1.744 0.731 0.000 -0.010 0.000 3/23760 260.0 0.673 1.711 0.704 0.000 -0.009 0.000 3/23760 270.0 0.650 1.680 0.680 0.000 -0.009 0.000 3/23760 280.0 0.629 1.651 0.657 0.000 -0.008 0.000 3/23760 290.0 0.610 1.623 0.636 0.000 -0.008 0.000 3/23760 300.0 0.592 1.596 0.617 0.000 -0.007 0.000 3/23760 310.0 0.575 1.570 0.599 0.000 -0.007 0.000 3/23760 320.0 0.560 1.546 0.582 0.000 -0.006 0.000 3/23760 330.0 0.545 1.522 0.566 0.000 -0.006 0.000 3/23760 340.0 0.532 1.498 0.551 0.000 -0.005 0.000 3/23760 350.0 0.519 1.476 0.537 0.000 -0.005 0.000 3/23760 360.0 0.507 1.454 0.524 0.000 -0.004 0.000 3/23760 370.0 0.495 1.433 0.512 0.000 -0.004 0.000 3/23760 380.0 0.484 1.412 0.500 0.000 -0.004 0.000 3/23760 390.0 0.474 1.391 0.489 0.000 -0.003 0.000 3/23760 400.0 0.464 1.371 0.478 0.000 -0.003 0.000 3/23760 410.0 0.454 1.352 0.468 0.000 -0.002 0.000 3/23760 420.0 0.445 1.333 0.458 0.000 -0.002 0.000 3/23760 430.0 0.437 1.314 0.449 0.000 -0.002 0.000 3/23760 440.0 0.428 1.296 0.440 0.000 -0.002 0.000 3/23760 450.0 0.420 1.278 0.431 0.000 -0.001 0.000 3/23760 460.0 0.413 1.261 0.423 0.000 -0.001 0.000 3/23760 470.0 0.405 1.244 0.415 0.000 -0.001 0.000 3/23760 480.0 0.398 1.227 0.408 0.000 -0.001 0.000 3/23760 490.0 0.391 1.211 0.401 0.000 -0.000 0.000 3/23760 500.0 0.385 1.195 0.394 0.000 -0.000 0.000 3/23760 510.0 0.379 1.179 0.387 0.000 -0.000 0.000 3/23760 520.0 0.372 1.164 0.380 0.000 0.000 0.000 3/23760 530.0 0.366 1.149 0.374 0.000 0.000 0.000 3/23760 540.0 0.361 1.134 0.368 0.000 0.000 0.000 3/23760 550.0 0.355 1.119 0.362 0.000 0.001 0.000 3/23760 560.0 0.350 1.105 0.356 0.000 0.001 0.000 3/23760 570.0 0.344 1.092 0.351 0.000 0.001 0.000 3/23760 580.0 0.339 1.078 0.346 0.000 0.001 0.000 3/23760 590.0 0.334 1.065 0.340 0.000 0.001 0.000 3/23760 600.0 0.330 1.052 0.335 0.000 0.001 0.000 3/23760 610.0 0.325 1.039 0.330 0.000 0.001 0.000 3/23760 620.0 0.321 1.026 0.326 0.000 0.001 0.000 3/23760 630.0 0.316 1.014 0.321 0.000 0.001 0.000 3/23760 640.0 0.312 1.002 0.317 0.000 0.002 0.000 3/23760 650.0 0.308 0.990 0.312 0.000 0.002 0.000 3/23760 660.0 0.304 0.979 0.308 0.000 0.002 0.000 3/23760 670.0 0.300 0.968 0.304 0.000 0.002 0.000 3/23760 680.0 0.296 0.957 0.300 0.000 0.002 0.000 3/23760 690.0 0.292 0.946 0.296 0.000 0.002 0.000 3/23760 700.0 0.288 0.935 0.292 0.000 0.002 0.000 3/23760 710.0 0.285 0.925 0.289 0.000 0.002 0.000 3/23760 720.0 0.281 0.914 0.285 0.000 0.002 0.000 3/23760 730.0 0.278 0.904 0.281 0.000 0.002 0.000 3/23760 740.0 0.275 0.895 0.278 0.000 0.002 0.000 3/23760 750.0 0.271 0.885 0.275 0.000 0.002 0.000 3/23760 760.0 0.268 0.875 0.271 0.000 0.002 0.000 3/23760 770.0 0.265 0.866 0.268 0.000 0.002 0.000 3/23760 780.0 0.262 0.857 0.265 0.000 0.002 0.000 3/23760 790.0 0.259 0.848 0.262 0.000 0.002 0.000 3/23760 800.0 0.256 0.839 0.259 0.000 0.002 0.000 3/23760 810.0 0.253 0.831 0.256 0.000 0.002 0.000 3/23760 820.0 0.251 0.822 0.253 0.000 0.002 0.000 3/23760 830.0 0.248 0.814 0.250 0.000 0.002 0.000 3/23760 840.0 0.245 0.806 0.247 0.000 0.002 0.000 3/23760 850.0 0.243 0.798 0.245 0.000 0.002 0.000 3/23760 860.0 0.240 0.790 0.242 0.000 0.002 0.000 3/23760 870.0 0.238 0.782 0.240 0.000 0.002 0.000 3/23760 880.0 0.235 0.775 0.237 0.000 0.002 0.000 3/23760 890.0 0.233 0.767 0.235 0.000 0.002 0.000 3/23760 900.0 0.230 0.760 0.232 0.000 0.002 0.000 3/23760 910.0 0.228 0.753 0.230 0.000 0.003 0.000 3/23760 920.0 0.226 0.746 0.228 0.000 0.003 0.000 3/23760 930.0 0.224 0.739 0.225 0.000 0.003 0.000 3/23760 940.0 0.221 0.732 0.223 0.000 0.003 0.000 3/23760 950.0 0.219 0.725 0.221 0.000 0.003 0.000 3/23760 960.0 0.217 0.719 0.219 0.000 0.003 0.000 3/23760 970.0 0.215 0.712 0.217 0.000 0.003 0.000 3/23760 980.0 0.213 0.706 0.214 0.000 0.003 0.000 3/23760 990.0 0.211 0.700 0.212 0.000 0.003 0.000 3/23760 1000.0 0.209 0.693 0.210 0.000 0.003 0.000 3/23760 Thermal conductivity related properties were written into "kappa-m9104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:05:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|