----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:50:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.259618572039644 0.000000000000000 0.000000000000000 b 0.000000000000000 5.349551580000000 0.000000000000000 c -5.105734595847226 0.000000000000000 12.278125074462126 Atomic positions (fractional): *1 F 0.58276738859858 0.88833036246221 0.24548803845590 18.998 2 F 0.41723261140142 0.38833036246221 0.25451196154410 18.998 3 F 0.41723261140142 0.11166963753779 0.75451196154410 18.998 4 F 0.58276738859858 0.61166963753779 0.74548803845590 18.998 *5 F 0.65650971566778 0.69696022686835 0.45960038492427 18.998 6 F 0.34349028433222 0.19696022686835 0.04039961507573 18.998 *7 F 0.00088431374422 0.96964136265623 0.85036316921832 18.998 8 F 0.99911568625578 0.46964136265623 0.64963683078168 18.998 9 F 0.99911568625578 0.03035863734377 0.14963683078168 18.998 10 F 0.00088431374422 0.53035863734377 0.35036316921832 18.998 *11 F 0.22149266378078 0.81411184287542 0.54798110096375 18.998 12 F 0.77850733621922 0.31411184287542 0.95201889903625 18.998 13 F 0.77850733621922 0.18588815712458 0.45201889903625 18.998 14 F 0.22149266378078 0.68588815712458 0.04798110096375 18.998 15 F 0.65650971566778 0.80303977313165 0.95960038492427 18.998 16 F 0.34349028433222 0.30303977313165 0.54039961507573 18.998 *17 Sn 0.63809607160989 0.54736137809163 0.16574662708132 118.710 18 Sn 0.36190392839011 0.04736137809163 0.33425337291868 118.710 19 Sn 0.36190392839011 0.45263862190837 0.83425337291868 118.710 20 Sn 0.63809607160989 0.95263862190837 0.66574662708132 118.710 *21 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 22 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.259618572039644 0.000000000000000 0.000000000000000 b 0.000000000000000 5.349551580000000 0.000000000000000 c -5.105734595847226 0.000000000000000 12.278125074462126 Atomic positions (fractional): *1 F 0.58276738859858 0.88833036246221 0.24548803845590 18.998 > 1 2 F 0.41723261140142 0.38833036246221 0.25451196154410 18.998 > 2 3 F 0.41723261140142 0.11166963753779 0.75451196154410 18.998 > 3 4 F 0.58276738859858 0.61166963753779 0.74548803845590 18.998 > 4 *5 F 0.65650971566778 0.69696022686835 0.45960038492427 18.998 > 5 6 F 0.34349028433222 0.19696022686835 0.04039961507573 18.998 > 6 *7 F 0.00088431374422 0.96964136265623 0.85036316921832 18.998 > 7 8 F 0.99911568625578 0.46964136265623 0.64963683078168 18.998 > 8 9 F 0.99911568625578 0.03035863734377 0.14963683078168 18.998 > 9 10 F 0.00088431374422 0.53035863734377 0.35036316921832 18.998 > 10 *11 F 0.22149266378078 0.81411184287542 0.54798110096375 18.998 > 11 12 F 0.77850733621922 0.31411184287542 0.95201889903625 18.998 > 12 13 F 0.77850733621922 0.18588815712458 0.45201889903625 18.998 > 13 14 F 0.22149266378078 0.68588815712458 0.04798110096375 18.998 > 14 15 F 0.65650971566778 0.80303977313165 0.95960038492427 18.998 > 15 16 F 0.34349028433222 0.30303977313165 0.54039961507573 18.998 > 16 *17 Sn 0.63809607160989 0.54736137809163 0.16574662708132 118.710 > 17 18 Sn 0.36190392839011 0.04736137809163 0.33425337291868 118.710 > 18 19 Sn 0.36190392839011 0.45263862190837 0.83425337291868 118.710 > 19 20 Sn 0.63809607160989 0.95263862190837 0.66574662708132 118.710 > 20 *21 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 21 22 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 22 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.778855716118931 0.000000000000000 0.000000000000000 b 0.000000000000000 10.699103160000000 0.000000000000000 c -5.105734595847226 0.000000000000000 12.278125074462126 Atomic positions (fractional): *1 F 0.19425579619953 0.44416518123110 0.24548803845590 18.998 > 1 2 F 0.52758912953286 0.44416518123110 0.24548803845590 18.998 > 1 3 F 0.86092246286619 0.44416518123110 0.24548803845590 18.998 > 1 4 F 0.19425579619953 0.94416518123110 0.24548803845590 18.998 > 1 5 F 0.52758912953286 0.94416518123110 0.24548803845590 18.998 > 1 6 F 0.86092246286619 0.94416518123110 0.24548803845590 18.998 > 1 7 F 0.13907753713381 0.19416518123110 0.25451196154410 18.998 > 2 8 F 0.47241087046714 0.19416518123110 0.25451196154410 18.998 > 2 9 F 0.80574420380047 0.19416518123110 0.25451196154410 18.998 > 2 10 F 0.13907753713381 0.69416518123110 0.25451196154410 18.998 > 2 11 F 0.47241087046714 0.69416518123110 0.25451196154410 18.998 > 2 12 F 0.80574420380047 0.69416518123110 0.25451196154410 18.998 > 2 13 F 0.13907753713381 0.05583481876890 0.75451196154410 18.998 > 3 14 F 0.47241087046714 0.05583481876890 0.75451196154410 18.998 > 3 15 F 0.80574420380047 0.05583481876890 0.75451196154410 18.998 > 3 16 F 0.13907753713381 0.55583481876890 0.75451196154410 18.998 > 3 17 F 0.47241087046714 0.55583481876890 0.75451196154410 18.998 > 3 18 F 0.80574420380047 0.55583481876890 0.75451196154410 18.998 > 3 19 F 0.19425579619953 0.30583481876890 0.74548803845590 18.998 > 4 20 F 0.52758912953286 0.30583481876890 0.74548803845590 18.998 > 4 21 F 0.86092246286619 0.30583481876890 0.74548803845590 18.998 > 4 22 F 0.19425579619953 0.80583481876890 0.74548803845590 18.998 > 4 23 F 0.52758912953286 0.80583481876890 0.74548803845590 18.998 > 4 24 F 0.86092246286619 0.80583481876890 0.74548803845590 18.998 > 4 *25 F 0.21883657188926 0.34848011343417 0.45960038492427 18.998 > 5 26 F 0.55216990522259 0.34848011343417 0.45960038492427 18.998 > 5 27 F 0.88550323855593 0.34848011343417 0.45960038492427 18.998 > 5 28 F 0.21883657188926 0.84848011343417 0.45960038492427 18.998 > 5 29 F 0.55216990522259 0.84848011343417 0.45960038492427 18.998 > 5 30 F 0.88550323855593 0.84848011343417 0.45960038492427 18.998 > 5 31 F 0.11449676144407 0.09848011343417 0.04039961507573 18.998 > 6 32 F 0.44783009477741 0.09848011343417 0.04039961507573 18.998 > 6 33 F 0.78116342811074 0.09848011343417 0.04039961507573 18.998 > 6 34 F 0.11449676144407 0.59848011343417 0.04039961507573 18.998 > 6 35 F 0.44783009477741 0.59848011343417 0.04039961507573 18.998 > 6 36 F 0.78116342811074 0.59848011343417 0.04039961507573 18.998 > 6 *37 F 0.00029477124807 0.48482068132811 0.85036316921832 18.998 > 7 38 F 0.33362810458141 0.48482068132811 0.85036316921832 18.998 > 7 39 F 0.66696143791474 0.48482068132811 0.85036316921832 18.998 > 7 40 F 0.00029477124807 0.98482068132811 0.85036316921832 18.998 > 7 41 F 0.33362810458141 0.98482068132811 0.85036316921832 18.998 > 7 42 F 0.66696143791474 0.98482068132811 0.85036316921832 18.998 > 7 43 F 0.33303856208526 0.23482068132811 0.64963683078168 18.998 > 8 44 F 0.66637189541859 0.23482068132811 0.64963683078168 18.998 > 8 45 F 0.99970522875193 0.23482068132811 0.64963683078168 18.998 > 8 46 F 0.33303856208526 0.73482068132811 0.64963683078168 18.998 > 8 47 F 0.66637189541859 0.73482068132811 0.64963683078168 18.998 > 8 48 F 0.99970522875193 0.73482068132811 0.64963683078168 18.998 > 8 49 F 0.33303856208526 0.01517931867189 0.14963683078168 18.998 > 9 50 F 0.66637189541859 0.01517931867189 0.14963683078168 18.998 > 9 51 F 0.99970522875193 0.01517931867189 0.14963683078168 18.998 > 9 52 F 0.33303856208526 0.51517931867189 0.14963683078168 18.998 > 9 53 F 0.66637189541859 0.51517931867189 0.14963683078168 18.998 > 9 54 F 0.99970522875193 0.51517931867189 0.14963683078168 18.998 > 9 55 F 0.00029477124807 0.26517931867189 0.35036316921832 18.998 > 10 56 F 0.33362810458141 0.26517931867189 0.35036316921832 18.998 > 10 57 F 0.66696143791474 0.26517931867189 0.35036316921832 18.998 > 10 58 F 0.00029477124807 0.76517931867189 0.35036316921832 18.998 > 10 59 F 0.33362810458141 0.76517931867189 0.35036316921832 18.998 > 10 60 F 0.66696143791474 0.76517931867189 0.35036316921832 18.998 > 10 *61 F 0.07383088792693 0.40705592143771 0.54798110096375 18.998 > 11 62 F 0.40716422126026 0.40705592143771 0.54798110096375 18.998 > 11 63 F 0.74049755459359 0.40705592143771 0.54798110096375 18.998 > 11 64 F 0.07383088792693 0.90705592143771 0.54798110096375 18.998 > 11 65 F 0.40716422126026 0.90705592143771 0.54798110096375 18.998 > 11 66 F 0.74049755459359 0.90705592143771 0.54798110096375 18.998 > 11 67 F 0.25950244540641 0.15705592143771 0.95201889903625 18.998 > 12 68 F 0.59283577873974 0.15705592143771 0.95201889903625 18.998 > 12 69 F 0.92616911207307 0.15705592143771 0.95201889903625 18.998 > 12 70 F 0.25950244540641 0.65705592143771 0.95201889903625 18.998 > 12 71 F 0.59283577873974 0.65705592143771 0.95201889903625 18.998 > 12 72 F 0.92616911207307 0.65705592143771 0.95201889903625 18.998 > 12 73 F 0.25950244540641 0.09294407856229 0.45201889903625 18.998 > 13 74 F 0.59283577873974 0.09294407856229 0.45201889903625 18.998 > 13 75 F 0.92616911207307 0.09294407856229 0.45201889903625 18.998 > 13 76 F 0.25950244540641 0.59294407856229 0.45201889903625 18.998 > 13 77 F 0.59283577873974 0.59294407856229 0.45201889903625 18.998 > 13 78 F 0.92616911207307 0.59294407856229 0.45201889903625 18.998 > 13 79 F 0.07383088792693 0.34294407856229 0.04798110096375 18.998 > 14 80 F 0.40716422126026 0.34294407856229 0.04798110096375 18.998 > 14 81 F 0.74049755459359 0.34294407856229 0.04798110096375 18.998 > 14 82 F 0.07383088792693 0.84294407856229 0.04798110096375 18.998 > 14 83 F 0.40716422126026 0.84294407856229 0.04798110096375 18.998 > 14 84 F 0.74049755459359 0.84294407856229 0.04798110096375 18.998 > 14 85 F 0.21883657188926 0.40151988656583 0.95960038492427 18.998 > 15 86 F 0.55216990522259 0.40151988656583 0.95960038492427 18.998 > 15 87 F 0.88550323855593 0.40151988656583 0.95960038492427 18.998 > 15 88 F 0.21883657188926 0.90151988656583 0.95960038492427 18.998 > 15 89 F 0.55216990522259 0.90151988656583 0.95960038492427 18.998 > 15 90 F 0.88550323855593 0.90151988656583 0.95960038492427 18.998 > 15 91 F 0.11449676144407 0.15151988656583 0.54039961507573 18.998 > 16 92 F 0.44783009477741 0.15151988656583 0.54039961507573 18.998 > 16 93 F 0.78116342811074 0.15151988656583 0.54039961507573 18.998 > 16 94 F 0.11449676144407 0.65151988656583 0.54039961507573 18.998 > 16 95 F 0.44783009477741 0.65151988656583 0.54039961507573 18.998 > 16 96 F 0.78116342811074 0.65151988656583 0.54039961507573 18.998 > 16 *97 Sn 0.21269869053663 0.27368068904582 0.16574662708132 118.710 > 17 98 Sn 0.54603202386996 0.27368068904582 0.16574662708132 118.710 > 17 99 Sn 0.87936535720330 0.27368068904582 0.16574662708132 118.710 > 17 100 Sn 0.21269869053663 0.77368068904582 0.16574662708132 118.710 > 17 101 Sn 0.54603202386996 0.77368068904582 0.16574662708132 118.710 > 17 102 Sn 0.87936535720330 0.77368068904582 0.16574662708132 118.710 > 17 103 Sn 0.12063464279670 0.02368068904582 0.33425337291868 118.710 > 18 104 Sn 0.45396797613004 0.02368068904582 0.33425337291868 118.710 > 18 105 Sn 0.78730130946337 0.02368068904582 0.33425337291868 118.710 > 18 106 Sn 0.12063464279670 0.52368068904582 0.33425337291868 118.710 > 18 107 Sn 0.45396797613004 0.52368068904582 0.33425337291868 118.710 > 18 108 Sn 0.78730130946337 0.52368068904582 0.33425337291868 118.710 > 18 109 Sn 0.12063464279670 0.22631931095418 0.83425337291868 118.710 > 19 110 Sn 0.45396797613004 0.22631931095418 0.83425337291868 118.710 > 19 111 Sn 0.78730130946337 0.22631931095418 0.83425337291868 118.710 > 19 112 Sn 0.12063464279670 0.72631931095418 0.83425337291868 118.710 > 19 113 Sn 0.45396797613004 0.72631931095418 0.83425337291868 118.710 > 19 114 Sn 0.78730130946337 0.72631931095418 0.83425337291868 118.710 > 19 115 Sn 0.21269869053663 0.47631931095418 0.66574662708132 118.710 > 20 116 Sn 0.54603202386996 0.47631931095418 0.66574662708132 118.710 > 20 117 Sn 0.87936535720330 0.47631931095418 0.66574662708132 118.710 > 20 118 Sn 0.21269869053663 0.97631931095418 0.66574662708132 118.710 > 20 119 Sn 0.54603202386996 0.97631931095418 0.66574662708132 118.710 > 20 120 Sn 0.87936535720330 0.97631931095418 0.66574662708132 118.710 > 20 *121 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 21 122 Sn 0.33333333333333 0.25000000000000 0.50000000000000 118.710 > 21 123 Sn 0.66666666666667 0.25000000000000 0.50000000000000 118.710 > 21 124 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 21 125 Sn 0.33333333333333 0.75000000000000 0.50000000000000 118.710 > 21 126 Sn 0.66666666666667 0.75000000000000 0.50000000000000 118.710 > 21 127 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 22 128 Sn 0.33333333333333 0.00000000000000 0.00000000000000 118.710 > 22 129 Sn 0.66666666666667 0.00000000000000 0.00000000000000 118.710 > 22 130 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 22 131 Sn 0.33333333333333 0.50000000000000 0.00000000000000 118.710 > 22 132 Sn 0.66666666666667 0.50000000000000 0.00000000000000 118.710 > 22 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9449799 0.0000000 0.0879526 0.0000000 3.0696411 0.0000000 0.0879547 0.0000000 3.2397811 -------------------------- Born effective charges -------------------------- 1 F -1.2844781 0.6534562 0.5615345 0.9609875 -1.6377281 -0.8211063 0.6974366 -0.6625896 -1.1390991 2 F -1.2844781 -0.6534562 0.5615345 -0.9609875 -1.6377281 0.8211063 0.6974366 0.6625896 -1.1390991 3 F -1.2844781 0.6534562 0.5615345 0.9609875 -1.6377281 -0.8211063 0.6974366 -0.6625896 -1.1390991 4 F -1.2844781 -0.6534562 0.5615345 -0.9609875 -1.6377281 0.8211063 0.6974366 0.6625896 -1.1390991 5 F -1.1765492 0.4506630 -0.1308107 0.5791734 -1.2675090 0.2163552 -0.2785837 0.2554900 -1.1783496 6 F -1.1765492 -0.4506630 -0.1308107 -0.5791734 -1.2675090 -0.2163552 -0.2785837 -0.2554900 -1.1783496 7 F -0.9189496 -0.0127014 -0.1946194 -0.0381226 -0.8574411 -0.1412785 0.0284921 -0.0254316 -1.9960419 8 F -0.9189496 0.0127014 -0.1946194 0.0381226 -0.8574411 0.1412785 0.0284921 0.0254316 -1.9960419 9 F -0.9189496 -0.0127014 -0.1946194 -0.0381226 -0.8574411 -0.1412785 0.0284921 -0.0254316 -1.9960419 10 F -0.9189496 0.0127014 -0.1946194 0.0381226 -0.8574411 0.1412785 0.0284921 0.0254316 -1.9960419 11 F -1.3014592 -0.5953197 -0.4372520 -0.5709705 -1.2500805 -0.3903337 -0.5904622 -0.4751530 -1.2366792 12 F -1.3014592 0.5953197 -0.4372520 0.5709705 -1.2500805 0.3903337 -0.5904622 0.4751530 -1.2366792 13 F -1.3014592 -0.5953197 -0.4372520 -0.5709705 -1.2500805 -0.3903337 -0.5904622 -0.4751530 -1.2366792 14 F -1.3014592 0.5953197 -0.4372520 0.5709705 -1.2500805 0.3903337 -0.5904622 0.4751530 -1.2366792 15 F -1.1765492 -0.4506630 -0.1308107 -0.5791734 -1.2675090 -0.2163552 -0.2785837 -0.2554900 -1.1783496 16 F -1.1765492 0.4506630 -0.1308107 0.5791734 -1.2675090 0.2163552 -0.2785837 0.2554900 -1.1783496 17 Sn 2.7325194 -0.0528579 0.1389135 0.0478299 2.9670898 -0.0043838 0.1425295 0.2406324 3.4477864 18 Sn 2.7325194 0.0528579 0.1389135 -0.0478299 2.9670898 0.0043838 0.1425295 -0.2406324 3.4477864 19 Sn 2.7325194 -0.0528579 0.1389135 0.0478299 2.9670898 -0.0043838 0.1425295 0.2406324 3.4477864 20 Sn 2.7325194 0.0528579 0.1389135 -0.0478299 2.9670898 0.0043838 0.1425295 -0.2406324 3.4477864 21 Sn 3.8978333 0.2756051 0.1244682 -0.2434773 4.0913379 0.0401024 0.0011754 0.3931794 4.2047666 22 Sn 3.8978333 -0.2756051 0.1244682 0.2434773 4.0913379 -0.0401024 0.0011754 -0.3931794 4.2047666 ---------------------------------------------------------------------------- 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: 3354 Number of blocks in projector: 3354 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: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 727 / 727 (1) 215 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 727 / 727 (1) 215 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (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: 727 / 727 (1) 220 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 391 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 391 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 391 Use standard eigh solver. Tree of FC basis block matrices: - (3354, 3301), data: False |-- (391, 385), data: True |-- (391, 385), data: True |-- (391, 385), data: True |-- (727, 716), data: False |-- (727, 7), data: (727, 18) @ (18, 7) |-- (227, 220), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (727, 715), data: False |-- (727, 12), data: (727, 24) @ (24, 12) |-- (227, 215), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (727, 715), data: False |-- (727, 12), data: (727, 24) @ (24, 12) |-- (227, 215), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 720 - Time: 2.207 Solver_block: 200 / 720 - Time: 1.127 Solver_block: 300 / 720 - Time: 1.226 Solver_block: 400 / 720 - Time: 1.784 Solver_block: 500 / 720 - Time: 2.329 Solver_block: 600 / 720 - Time: 1.682 Solver_block: 700 / 720 - Time: 1.310 Solver_block: 720 / 720 - Time: 0.654 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.743 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 3354 Number of blocks in projector: 3354 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: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 727 / 727 (1) 215 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 727 / 727 (1) 215 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 727 Use submatrix version of eigh solver. (1) Block: 500 / 727 (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: 727 / 727 (1) 220 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 391 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 391 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 391 Use standard eigh solver. Tree of FC basis block matrices: - (3354, 3301), data: False |-- (391, 385), data: True |-- (391, 385), data: True |-- (391, 385), data: True |-- (727, 716), data: False |-- (727, 7), data: (727, 18) @ (18, 7) |-- (227, 220), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (727, 715), data: False |-- (727, 12), data: (727, 24) @ (24, 12) |-- (227, 215), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (727, 715), data: False |-- (727, 12), data: (727, 24) @ (24, 12) |-- (227, 215), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:51:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:51:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.259618572039644 0.000000000000000 0.000000000000000 b 0.000000000000000 5.349551580000000 0.000000000000000 c -5.105734595847226 0.000000000000000 12.278125074462126 Atomic positions (fractional): 1 F 0.58276738859858 0.88833036246221 0.24548803845590 18.998 2 F 0.41723261140142 0.38833036246221 0.25451196154410 18.998 3 F 0.41723261140142 0.11166963753779 0.75451196154410 18.998 4 F 0.58276738859858 0.61166963753779 0.74548803845590 18.998 5 F 0.65650971566778 0.69696022686835 0.45960038492427 18.998 6 F 0.34349028433222 0.19696022686835 0.04039961507573 18.998 7 F 0.00088431374422 0.96964136265623 0.85036316921832 18.998 8 F 0.99911568625578 0.46964136265623 0.64963683078168 18.998 9 F 0.99911568625578 0.03035863734377 0.14963683078168 18.998 10 F 0.00088431374422 0.53035863734377 0.35036316921832 18.998 11 F 0.22149266378078 0.81411184287542 0.54798110096375 18.998 12 F 0.77850733621922 0.31411184287542 0.95201889903625 18.998 13 F 0.77850733621922 0.18588815712458 0.45201889903625 18.998 14 F 0.22149266378078 0.68588815712458 0.04798110096375 18.998 15 F 0.65650971566778 0.80303977313165 0.95960038492427 18.998 16 F 0.34349028433222 0.30303977313165 0.54039961507573 18.998 17 Sn 0.63809607160989 0.54736137809163 0.16574662708132 118.710 18 Sn 0.36190392839011 0.04736137809163 0.33425337291868 118.710 19 Sn 0.36190392839011 0.45263862190837 0.83425337291868 118.710 20 Sn 0.63809607160989 0.95263862190837 0.66574662708132 118.710 21 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 22 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.778855716118931 0.000000000000000 0.000000000000000 b 0.000000000000000 10.699103160000000 0.000000000000000 c -5.105734595847226 0.000000000000000 12.278125074462126 Atomic positions (fractional): 1 F 0.19425579619953 0.44416518123110 0.24548803845590 18.998 > 1 2 F 0.52758912953286 0.44416518123110 0.24548803845590 18.998 > 1 3 F 0.86092246286619 0.44416518123110 0.24548803845590 18.998 > 1 4 F 0.19425579619953 0.94416518123110 0.24548803845590 18.998 > 1 5 F 0.52758912953286 0.94416518123110 0.24548803845590 18.998 > 1 6 F 0.86092246286619 0.94416518123110 0.24548803845590 18.998 > 1 7 F 0.13907753713381 0.19416518123110 0.25451196154410 18.998 > 7 8 F 0.47241087046714 0.19416518123110 0.25451196154410 18.998 > 7 9 F 0.80574420380047 0.19416518123110 0.25451196154410 18.998 > 7 10 F 0.13907753713381 0.69416518123110 0.25451196154410 18.998 > 7 11 F 0.47241087046714 0.69416518123110 0.25451196154410 18.998 > 7 12 F 0.80574420380047 0.69416518123110 0.25451196154410 18.998 > 7 13 F 0.13907753713381 0.05583481876890 0.75451196154410 18.998 > 13 14 F 0.47241087046714 0.05583481876890 0.75451196154410 18.998 > 13 15 F 0.80574420380047 0.05583481876890 0.75451196154410 18.998 > 13 16 F 0.13907753713381 0.55583481876890 0.75451196154410 18.998 > 13 17 F 0.47241087046714 0.55583481876890 0.75451196154410 18.998 > 13 18 F 0.80574420380047 0.55583481876890 0.75451196154410 18.998 > 13 19 F 0.19425579619953 0.30583481876890 0.74548803845590 18.998 > 19 20 F 0.52758912953286 0.30583481876890 0.74548803845590 18.998 > 19 21 F 0.86092246286619 0.30583481876890 0.74548803845590 18.998 > 19 22 F 0.19425579619953 0.80583481876890 0.74548803845590 18.998 > 19 23 F 0.52758912953286 0.80583481876890 0.74548803845590 18.998 > 19 24 F 0.86092246286619 0.80583481876890 0.74548803845590 18.998 > 19 25 F 0.21883657188926 0.34848011343417 0.45960038492427 18.998 > 25 26 F 0.55216990522259 0.34848011343417 0.45960038492427 18.998 > 25 27 F 0.88550323855593 0.34848011343417 0.45960038492427 18.998 > 25 28 F 0.21883657188926 0.84848011343417 0.45960038492427 18.998 > 25 29 F 0.55216990522259 0.84848011343417 0.45960038492427 18.998 > 25 30 F 0.88550323855593 0.84848011343417 0.45960038492427 18.998 > 25 31 F 0.11449676144407 0.09848011343417 0.04039961507573 18.998 > 31 32 F 0.44783009477741 0.09848011343417 0.04039961507573 18.998 > 31 33 F 0.78116342811074 0.09848011343417 0.04039961507573 18.998 > 31 34 F 0.11449676144407 0.59848011343417 0.04039961507573 18.998 > 31 35 F 0.44783009477741 0.59848011343417 0.04039961507573 18.998 > 31 36 F 0.78116342811074 0.59848011343417 0.04039961507573 18.998 > 31 37 F 0.00029477124807 0.48482068132811 0.85036316921832 18.998 > 37 38 F 0.33362810458141 0.48482068132811 0.85036316921832 18.998 > 37 39 F 0.66696143791474 0.48482068132811 0.85036316921832 18.998 > 37 40 F 0.00029477124807 0.98482068132811 0.85036316921832 18.998 > 37 41 F 0.33362810458141 0.98482068132811 0.85036316921832 18.998 > 37 42 F 0.66696143791474 0.98482068132811 0.85036316921832 18.998 > 37 43 F 0.33303856208526 0.23482068132811 0.64963683078168 18.998 > 43 44 F 0.66637189541859 0.23482068132811 0.64963683078168 18.998 > 43 45 F 0.99970522875193 0.23482068132811 0.64963683078168 18.998 > 43 46 F 0.33303856208526 0.73482068132811 0.64963683078168 18.998 > 43 47 F 0.66637189541859 0.73482068132811 0.64963683078168 18.998 > 43 48 F 0.99970522875193 0.73482068132811 0.64963683078168 18.998 > 43 49 F 0.33303856208526 0.01517931867189 0.14963683078168 18.998 > 49 50 F 0.66637189541859 0.01517931867189 0.14963683078168 18.998 > 49 51 F 0.99970522875193 0.01517931867189 0.14963683078168 18.998 > 49 52 F 0.33303856208526 0.51517931867189 0.14963683078168 18.998 > 49 53 F 0.66637189541859 0.51517931867189 0.14963683078168 18.998 > 49 54 F 0.99970522875193 0.51517931867189 0.14963683078168 18.998 > 49 55 F 0.00029477124807 0.26517931867189 0.35036316921832 18.998 > 55 56 F 0.33362810458141 0.26517931867189 0.35036316921832 18.998 > 55 57 F 0.66696143791474 0.26517931867189 0.35036316921832 18.998 > 55 58 F 0.00029477124807 0.76517931867189 0.35036316921832 18.998 > 55 59 F 0.33362810458141 0.76517931867189 0.35036316921832 18.998 > 55 60 F 0.66696143791474 0.76517931867189 0.35036316921832 18.998 > 55 61 F 0.07383088792693 0.40705592143771 0.54798110096375 18.998 > 61 62 F 0.40716422126026 0.40705592143771 0.54798110096375 18.998 > 61 63 F 0.74049755459359 0.40705592143771 0.54798110096375 18.998 > 61 64 F 0.07383088792693 0.90705592143771 0.54798110096375 18.998 > 61 65 F 0.40716422126026 0.90705592143771 0.54798110096375 18.998 > 61 66 F 0.74049755459359 0.90705592143771 0.54798110096375 18.998 > 61 67 F 0.25950244540641 0.15705592143771 0.95201889903625 18.998 > 67 68 F 0.59283577873974 0.15705592143771 0.95201889903625 18.998 > 67 69 F 0.92616911207307 0.15705592143771 0.95201889903625 18.998 > 67 70 F 0.25950244540641 0.65705592143771 0.95201889903625 18.998 > 67 71 F 0.59283577873974 0.65705592143771 0.95201889903625 18.998 > 67 72 F 0.92616911207307 0.65705592143771 0.95201889903625 18.998 > 67 73 F 0.25950244540641 0.09294407856229 0.45201889903625 18.998 > 73 74 F 0.59283577873974 0.09294407856229 0.45201889903625 18.998 > 73 75 F 0.92616911207307 0.09294407856229 0.45201889903625 18.998 > 73 76 F 0.25950244540641 0.59294407856229 0.45201889903625 18.998 > 73 77 F 0.59283577873974 0.59294407856229 0.45201889903625 18.998 > 73 78 F 0.92616911207307 0.59294407856229 0.45201889903625 18.998 > 73 79 F 0.07383088792693 0.34294407856229 0.04798110096375 18.998 > 79 80 F 0.40716422126026 0.34294407856229 0.04798110096375 18.998 > 79 81 F 0.74049755459359 0.34294407856229 0.04798110096375 18.998 > 79 82 F 0.07383088792693 0.84294407856229 0.04798110096375 18.998 > 79 83 F 0.40716422126026 0.84294407856229 0.04798110096375 18.998 > 79 84 F 0.74049755459359 0.84294407856229 0.04798110096375 18.998 > 79 85 F 0.21883657188926 0.40151988656583 0.95960038492427 18.998 > 85 86 F 0.55216990522259 0.40151988656583 0.95960038492427 18.998 > 85 87 F 0.88550323855593 0.40151988656583 0.95960038492427 18.998 > 85 88 F 0.21883657188926 0.90151988656583 0.95960038492427 18.998 > 85 89 F 0.55216990522259 0.90151988656583 0.95960038492427 18.998 > 85 90 F 0.88550323855593 0.90151988656583 0.95960038492427 18.998 > 85 91 F 0.11449676144407 0.15151988656583 0.54039961507573 18.998 > 91 92 F 0.44783009477741 0.15151988656583 0.54039961507573 18.998 > 91 93 F 0.78116342811074 0.15151988656583 0.54039961507573 18.998 > 91 94 F 0.11449676144407 0.65151988656583 0.54039961507573 18.998 > 91 95 F 0.44783009477741 0.65151988656583 0.54039961507573 18.998 > 91 96 F 0.78116342811074 0.65151988656583 0.54039961507573 18.998 > 91 97 Sn 0.21269869053663 0.27368068904582 0.16574662708132 118.710 > 97 98 Sn 0.54603202386996 0.27368068904582 0.16574662708132 118.710 > 97 99 Sn 0.87936535720330 0.27368068904582 0.16574662708132 118.710 > 97 100 Sn 0.21269869053663 0.77368068904582 0.16574662708132 118.710 > 97 101 Sn 0.54603202386996 0.77368068904582 0.16574662708132 118.710 > 97 102 Sn 0.87936535720330 0.77368068904582 0.16574662708132 118.710 > 97 103 Sn 0.12063464279670 0.02368068904582 0.33425337291868 118.710 > 103 104 Sn 0.45396797613004 0.02368068904582 0.33425337291868 118.710 > 103 105 Sn 0.78730130946337 0.02368068904582 0.33425337291868 118.710 > 103 106 Sn 0.12063464279670 0.52368068904582 0.33425337291868 118.710 > 103 107 Sn 0.45396797613004 0.52368068904582 0.33425337291868 118.710 > 103 108 Sn 0.78730130946337 0.52368068904582 0.33425337291868 118.710 > 103 109 Sn 0.12063464279670 0.22631931095418 0.83425337291868 118.710 > 109 110 Sn 0.45396797613004 0.22631931095418 0.83425337291868 118.710 > 109 111 Sn 0.78730130946337 0.22631931095418 0.83425337291868 118.710 > 109 112 Sn 0.12063464279670 0.72631931095418 0.83425337291868 118.710 > 109 113 Sn 0.45396797613004 0.72631931095418 0.83425337291868 118.710 > 109 114 Sn 0.78730130946337 0.72631931095418 0.83425337291868 118.710 > 109 115 Sn 0.21269869053663 0.47631931095418 0.66574662708132 118.710 > 115 116 Sn 0.54603202386996 0.47631931095418 0.66574662708132 118.710 > 115 117 Sn 0.87936535720330 0.47631931095418 0.66574662708132 118.710 > 115 118 Sn 0.21269869053663 0.97631931095418 0.66574662708132 118.710 > 115 119 Sn 0.54603202386996 0.97631931095418 0.66574662708132 118.710 > 115 120 Sn 0.87936535720330 0.97631931095418 0.66574662708132 118.710 > 115 121 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 121 122 Sn 0.33333333333333 0.25000000000000 0.50000000000000 118.710 > 121 123 Sn 0.66666666666667 0.25000000000000 0.50000000000000 118.710 > 121 124 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 121 125 Sn 0.33333333333333 0.75000000000000 0.50000000000000 118.710 > 121 126 Sn 0.66666666666667 0.75000000000000 0.50000000000000 118.710 > 121 127 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 127 128 Sn 0.33333333333333 0.00000000000000 0.00000000000000 118.710 > 127 129 Sn 0.66666666666667 0.00000000000000 0.00000000000000 118.710 > 127 130 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 127 131 Sn 0.33333333333333 0.50000000000000 0.00000000000000 118.710 > 127 132 Sn 0.66666666666667 0.50000000000000 0.00000000000000 118.710 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9449799 0.0000000 0.0879526 0.0000000 3.0696411 0.0000000 0.0879547 0.0000000 3.2397811 -------------------------- Born effective charges -------------------------- 1 F -1.2844781 0.6534562 0.5615345 0.9609875 -1.6377281 -0.8211063 0.6974366 -0.6625896 -1.1390991 2 F -1.2844781 -0.6534562 0.5615345 -0.9609875 -1.6377281 0.8211063 0.6974366 0.6625896 -1.1390991 3 F -1.2844781 0.6534562 0.5615345 0.9609875 -1.6377281 -0.8211063 0.6974366 -0.6625896 -1.1390991 4 F -1.2844781 -0.6534562 0.5615345 -0.9609875 -1.6377281 0.8211063 0.6974366 0.6625896 -1.1390991 5 F -1.1765492 0.4506630 -0.1308107 0.5791734 -1.2675090 0.2163552 -0.2785837 0.2554900 -1.1783496 6 F -1.1765492 -0.4506630 -0.1308107 -0.5791734 -1.2675090 -0.2163552 -0.2785837 -0.2554900 -1.1783496 7 F -0.9189496 -0.0127014 -0.1946194 -0.0381226 -0.8574411 -0.1412785 0.0284921 -0.0254316 -1.9960419 8 F -0.9189496 0.0127014 -0.1946194 0.0381226 -0.8574411 0.1412785 0.0284921 0.0254316 -1.9960419 9 F -0.9189496 -0.0127014 -0.1946194 -0.0381226 -0.8574411 -0.1412785 0.0284921 -0.0254316 -1.9960419 10 F -0.9189496 0.0127014 -0.1946194 0.0381226 -0.8574411 0.1412785 0.0284921 0.0254316 -1.9960419 11 F -1.3014592 -0.5953197 -0.4372520 -0.5709705 -1.2500805 -0.3903337 -0.5904622 -0.4751530 -1.2366792 12 F -1.3014592 0.5953197 -0.4372520 0.5709705 -1.2500805 0.3903337 -0.5904622 0.4751530 -1.2366792 13 F -1.3014592 -0.5953197 -0.4372520 -0.5709705 -1.2500805 -0.3903337 -0.5904622 -0.4751530 -1.2366792 14 F -1.3014592 0.5953197 -0.4372520 0.5709705 -1.2500805 0.3903337 -0.5904622 0.4751530 -1.2366792 15 F -1.1765492 -0.4506630 -0.1308107 -0.5791734 -1.2675090 -0.2163552 -0.2785837 -0.2554900 -1.1783496 16 F -1.1765492 0.4506630 -0.1308107 0.5791734 -1.2675090 0.2163552 -0.2785837 0.2554900 -1.1783496 17 Sn 2.7325194 -0.0528579 0.1389135 0.0478299 2.9670898 -0.0043838 0.1425295 0.2406324 3.4477864 18 Sn 2.7325194 0.0528579 0.1389135 -0.0478299 2.9670898 0.0043838 0.1425295 -0.2406324 3.4477864 19 Sn 2.7325194 -0.0528579 0.1389135 0.0478299 2.9670898 -0.0043838 0.1425295 0.2406324 3.4477864 20 Sn 2.7325194 0.0528579 0.1389135 -0.0478299 2.9670898 0.0043838 0.1425295 -0.2406324 3.4477864 21 Sn 3.8978333 0.2756051 0.1244682 -0.2434773 4.0913379 0.0401024 0.0011754 0.3931794 4.2047666 22 Sn 3.8978333 -0.2756051 0.1244682 0.2434773 4.0913379 -0.0401024 0.0011754 -0.3931794 4.2047666 ---------------------------------------------------------------------------- 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] 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] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0092] [ 0.0038 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:51:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:51:50]------------------------- 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: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.259618572039644 0.000000000000000 0.000000000000000 b 0.000000000000000 5.349551580000000 0.000000000000000 c -5.105734595847226 0.000000000000000 12.278125074462126 Atomic positions (fractional): 1 F 0.58276738859858 0.88833036246221 0.24548803845590 18.998 2 F 0.41723261140142 0.38833036246221 0.25451196154410 18.998 3 F 0.41723261140142 0.11166963753779 0.75451196154410 18.998 4 F 0.58276738859858 0.61166963753779 0.74548803845590 18.998 5 F 0.65650971566778 0.69696022686835 0.45960038492427 18.998 6 F 0.34349028433222 0.19696022686835 0.04039961507573 18.998 7 F 0.00088431374422 0.96964136265623 0.85036316921832 18.998 8 F 0.99911568625578 0.46964136265623 0.64963683078168 18.998 9 F 0.99911568625578 0.03035863734377 0.14963683078168 18.998 10 F 0.00088431374422 0.53035863734377 0.35036316921832 18.998 11 F 0.22149266378078 0.81411184287542 0.54798110096375 18.998 12 F 0.77850733621922 0.31411184287542 0.95201889903625 18.998 13 F 0.77850733621922 0.18588815712458 0.45201889903625 18.998 14 F 0.22149266378078 0.68588815712458 0.04798110096375 18.998 15 F 0.65650971566778 0.80303977313165 0.95960038492427 18.998 16 F 0.34349028433222 0.30303977313165 0.54039961507573 18.998 17 Sn 0.63809607160989 0.54736137809163 0.16574662708132 118.710 18 Sn 0.36190392839011 0.04736137809163 0.33425337291868 118.710 19 Sn 0.36190392839011 0.45263862190837 0.83425337291868 118.710 20 Sn 0.63809607160989 0.95263862190837 0.66574662708132 118.710 21 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 22 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.778855716118931 0.000000000000000 0.000000000000000 b 0.000000000000000 10.699103160000000 0.000000000000000 c -5.105734595847226 0.000000000000000 12.278125074462126 Atomic positions (fractional): 1 F 0.19425579619953 0.44416518123110 0.24548803845590 18.998 > 1 2 F 0.52758912953286 0.44416518123110 0.24548803845590 18.998 > 1 3 F 0.86092246286619 0.44416518123110 0.24548803845590 18.998 > 1 4 F 0.19425579619953 0.94416518123110 0.24548803845590 18.998 > 1 5 F 0.52758912953286 0.94416518123110 0.24548803845590 18.998 > 1 6 F 0.86092246286619 0.94416518123110 0.24548803845590 18.998 > 1 7 F 0.13907753713381 0.19416518123110 0.25451196154410 18.998 > 7 8 F 0.47241087046714 0.19416518123110 0.25451196154410 18.998 > 7 9 F 0.80574420380047 0.19416518123110 0.25451196154410 18.998 > 7 10 F 0.13907753713381 0.69416518123110 0.25451196154410 18.998 > 7 11 F 0.47241087046714 0.69416518123110 0.25451196154410 18.998 > 7 12 F 0.80574420380047 0.69416518123110 0.25451196154410 18.998 > 7 13 F 0.13907753713381 0.05583481876890 0.75451196154410 18.998 > 13 14 F 0.47241087046714 0.05583481876890 0.75451196154410 18.998 > 13 15 F 0.80574420380047 0.05583481876890 0.75451196154410 18.998 > 13 16 F 0.13907753713381 0.55583481876890 0.75451196154410 18.998 > 13 17 F 0.47241087046714 0.55583481876890 0.75451196154410 18.998 > 13 18 F 0.80574420380047 0.55583481876890 0.75451196154410 18.998 > 13 19 F 0.19425579619953 0.30583481876890 0.74548803845590 18.998 > 19 20 F 0.52758912953286 0.30583481876890 0.74548803845590 18.998 > 19 21 F 0.86092246286619 0.30583481876890 0.74548803845590 18.998 > 19 22 F 0.19425579619953 0.80583481876890 0.74548803845590 18.998 > 19 23 F 0.52758912953286 0.80583481876890 0.74548803845590 18.998 > 19 24 F 0.86092246286619 0.80583481876890 0.74548803845590 18.998 > 19 25 F 0.21883657188926 0.34848011343417 0.45960038492427 18.998 > 25 26 F 0.55216990522259 0.34848011343417 0.45960038492427 18.998 > 25 27 F 0.88550323855593 0.34848011343417 0.45960038492427 18.998 > 25 28 F 0.21883657188926 0.84848011343417 0.45960038492427 18.998 > 25 29 F 0.55216990522259 0.84848011343417 0.45960038492427 18.998 > 25 30 F 0.88550323855593 0.84848011343417 0.45960038492427 18.998 > 25 31 F 0.11449676144407 0.09848011343417 0.04039961507573 18.998 > 31 32 F 0.44783009477741 0.09848011343417 0.04039961507573 18.998 > 31 33 F 0.78116342811074 0.09848011343417 0.04039961507573 18.998 > 31 34 F 0.11449676144407 0.59848011343417 0.04039961507573 18.998 > 31 35 F 0.44783009477741 0.59848011343417 0.04039961507573 18.998 > 31 36 F 0.78116342811074 0.59848011343417 0.04039961507573 18.998 > 31 37 F 0.00029477124807 0.48482068132811 0.85036316921832 18.998 > 37 38 F 0.33362810458141 0.48482068132811 0.85036316921832 18.998 > 37 39 F 0.66696143791474 0.48482068132811 0.85036316921832 18.998 > 37 40 F 0.00029477124807 0.98482068132811 0.85036316921832 18.998 > 37 41 F 0.33362810458141 0.98482068132811 0.85036316921832 18.998 > 37 42 F 0.66696143791474 0.98482068132811 0.85036316921832 18.998 > 37 43 F 0.33303856208526 0.23482068132811 0.64963683078168 18.998 > 43 44 F 0.66637189541859 0.23482068132811 0.64963683078168 18.998 > 43 45 F 0.99970522875193 0.23482068132811 0.64963683078168 18.998 > 43 46 F 0.33303856208526 0.73482068132811 0.64963683078168 18.998 > 43 47 F 0.66637189541859 0.73482068132811 0.64963683078168 18.998 > 43 48 F 0.99970522875193 0.73482068132811 0.64963683078168 18.998 > 43 49 F 0.33303856208526 0.01517931867189 0.14963683078168 18.998 > 49 50 F 0.66637189541859 0.01517931867189 0.14963683078168 18.998 > 49 51 F 0.99970522875193 0.01517931867189 0.14963683078168 18.998 > 49 52 F 0.33303856208526 0.51517931867189 0.14963683078168 18.998 > 49 53 F 0.66637189541859 0.51517931867189 0.14963683078168 18.998 > 49 54 F 0.99970522875193 0.51517931867189 0.14963683078168 18.998 > 49 55 F 0.00029477124807 0.26517931867189 0.35036316921832 18.998 > 55 56 F 0.33362810458141 0.26517931867189 0.35036316921832 18.998 > 55 57 F 0.66696143791474 0.26517931867189 0.35036316921832 18.998 > 55 58 F 0.00029477124807 0.76517931867189 0.35036316921832 18.998 > 55 59 F 0.33362810458141 0.76517931867189 0.35036316921832 18.998 > 55 60 F 0.66696143791474 0.76517931867189 0.35036316921832 18.998 > 55 61 F 0.07383088792693 0.40705592143771 0.54798110096375 18.998 > 61 62 F 0.40716422126026 0.40705592143771 0.54798110096375 18.998 > 61 63 F 0.74049755459359 0.40705592143771 0.54798110096375 18.998 > 61 64 F 0.07383088792693 0.90705592143771 0.54798110096375 18.998 > 61 65 F 0.40716422126026 0.90705592143771 0.54798110096375 18.998 > 61 66 F 0.74049755459359 0.90705592143771 0.54798110096375 18.998 > 61 67 F 0.25950244540641 0.15705592143771 0.95201889903625 18.998 > 67 68 F 0.59283577873974 0.15705592143771 0.95201889903625 18.998 > 67 69 F 0.92616911207307 0.15705592143771 0.95201889903625 18.998 > 67 70 F 0.25950244540641 0.65705592143771 0.95201889903625 18.998 > 67 71 F 0.59283577873974 0.65705592143771 0.95201889903625 18.998 > 67 72 F 0.92616911207307 0.65705592143771 0.95201889903625 18.998 > 67 73 F 0.25950244540641 0.09294407856229 0.45201889903625 18.998 > 73 74 F 0.59283577873974 0.09294407856229 0.45201889903625 18.998 > 73 75 F 0.92616911207307 0.09294407856229 0.45201889903625 18.998 > 73 76 F 0.25950244540641 0.59294407856229 0.45201889903625 18.998 > 73 77 F 0.59283577873974 0.59294407856229 0.45201889903625 18.998 > 73 78 F 0.92616911207307 0.59294407856229 0.45201889903625 18.998 > 73 79 F 0.07383088792693 0.34294407856229 0.04798110096375 18.998 > 79 80 F 0.40716422126026 0.34294407856229 0.04798110096375 18.998 > 79 81 F 0.74049755459359 0.34294407856229 0.04798110096375 18.998 > 79 82 F 0.07383088792693 0.84294407856229 0.04798110096375 18.998 > 79 83 F 0.40716422126026 0.84294407856229 0.04798110096375 18.998 > 79 84 F 0.74049755459359 0.84294407856229 0.04798110096375 18.998 > 79 85 F 0.21883657188926 0.40151988656583 0.95960038492427 18.998 > 85 86 F 0.55216990522259 0.40151988656583 0.95960038492427 18.998 > 85 87 F 0.88550323855593 0.40151988656583 0.95960038492427 18.998 > 85 88 F 0.21883657188926 0.90151988656583 0.95960038492427 18.998 > 85 89 F 0.55216990522259 0.90151988656583 0.95960038492427 18.998 > 85 90 F 0.88550323855593 0.90151988656583 0.95960038492427 18.998 > 85 91 F 0.11449676144407 0.15151988656583 0.54039961507573 18.998 > 91 92 F 0.44783009477741 0.15151988656583 0.54039961507573 18.998 > 91 93 F 0.78116342811074 0.15151988656583 0.54039961507573 18.998 > 91 94 F 0.11449676144407 0.65151988656583 0.54039961507573 18.998 > 91 95 F 0.44783009477741 0.65151988656583 0.54039961507573 18.998 > 91 96 F 0.78116342811074 0.65151988656583 0.54039961507573 18.998 > 91 97 Sn 0.21269869053663 0.27368068904582 0.16574662708132 118.710 > 97 98 Sn 0.54603202386996 0.27368068904582 0.16574662708132 118.710 > 97 99 Sn 0.87936535720330 0.27368068904582 0.16574662708132 118.710 > 97 100 Sn 0.21269869053663 0.77368068904582 0.16574662708132 118.710 > 97 101 Sn 0.54603202386996 0.77368068904582 0.16574662708132 118.710 > 97 102 Sn 0.87936535720330 0.77368068904582 0.16574662708132 118.710 > 97 103 Sn 0.12063464279670 0.02368068904582 0.33425337291868 118.710 > 103 104 Sn 0.45396797613004 0.02368068904582 0.33425337291868 118.710 > 103 105 Sn 0.78730130946337 0.02368068904582 0.33425337291868 118.710 > 103 106 Sn 0.12063464279670 0.52368068904582 0.33425337291868 118.710 > 103 107 Sn 0.45396797613004 0.52368068904582 0.33425337291868 118.710 > 103 108 Sn 0.78730130946337 0.52368068904582 0.33425337291868 118.710 > 103 109 Sn 0.12063464279670 0.22631931095418 0.83425337291868 118.710 > 109 110 Sn 0.45396797613004 0.22631931095418 0.83425337291868 118.710 > 109 111 Sn 0.78730130946337 0.22631931095418 0.83425337291868 118.710 > 109 112 Sn 0.12063464279670 0.72631931095418 0.83425337291868 118.710 > 109 113 Sn 0.45396797613004 0.72631931095418 0.83425337291868 118.710 > 109 114 Sn 0.78730130946337 0.72631931095418 0.83425337291868 118.710 > 109 115 Sn 0.21269869053663 0.47631931095418 0.66574662708132 118.710 > 115 116 Sn 0.54603202386996 0.47631931095418 0.66574662708132 118.710 > 115 117 Sn 0.87936535720330 0.47631931095418 0.66574662708132 118.710 > 115 118 Sn 0.21269869053663 0.97631931095418 0.66574662708132 118.710 > 115 119 Sn 0.54603202386996 0.97631931095418 0.66574662708132 118.710 > 115 120 Sn 0.87936535720330 0.97631931095418 0.66574662708132 118.710 > 115 121 Sn 0.00000000000000 0.25000000000000 0.50000000000000 118.710 > 121 122 Sn 0.33333333333333 0.25000000000000 0.50000000000000 118.710 > 121 123 Sn 0.66666666666667 0.25000000000000 0.50000000000000 118.710 > 121 124 Sn 0.00000000000000 0.75000000000000 0.50000000000000 118.710 > 121 125 Sn 0.33333333333333 0.75000000000000 0.50000000000000 118.710 > 121 126 Sn 0.66666666666667 0.75000000000000 0.50000000000000 118.710 > 121 127 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 127 128 Sn 0.33333333333333 0.00000000000000 0.00000000000000 118.710 > 127 129 Sn 0.66666666666667 0.00000000000000 0.00000000000000 118.710 > 127 130 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 127 131 Sn 0.33333333333333 0.50000000000000 0.00000000000000 118.710 > 127 132 Sn 0.66666666666667 0.50000000000000 0.00000000000000 118.710 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9449799 0.0000000 0.0879526 0.0000000 3.0696411 0.0000000 0.0879547 0.0000000 3.2397811 -------------------------- Born effective charges -------------------------- 1 F -1.2844781 0.6534562 0.5615345 0.9609875 -1.6377281 -0.8211063 0.6974366 -0.6625896 -1.1390991 2 F -1.2844781 -0.6534562 0.5615345 -0.9609875 -1.6377281 0.8211063 0.6974366 0.6625896 -1.1390991 3 F -1.2844781 0.6534562 0.5615345 0.9609875 -1.6377281 -0.8211063 0.6974366 -0.6625896 -1.1390991 4 F -1.2844781 -0.6534562 0.5615345 -0.9609875 -1.6377281 0.8211063 0.6974366 0.6625896 -1.1390991 5 F -1.1765492 0.4506630 -0.1308107 0.5791734 -1.2675090 0.2163552 -0.2785837 0.2554900 -1.1783496 6 F -1.1765492 -0.4506630 -0.1308107 -0.5791734 -1.2675090 -0.2163552 -0.2785837 -0.2554900 -1.1783496 7 F -0.9189496 -0.0127014 -0.1946194 -0.0381226 -0.8574411 -0.1412785 0.0284921 -0.0254316 -1.9960419 8 F -0.9189496 0.0127014 -0.1946194 0.0381226 -0.8574411 0.1412785 0.0284921 0.0254316 -1.9960419 9 F -0.9189496 -0.0127014 -0.1946194 -0.0381226 -0.8574411 -0.1412785 0.0284921 -0.0254316 -1.9960419 10 F -0.9189496 0.0127014 -0.1946194 0.0381226 -0.8574411 0.1412785 0.0284921 0.0254316 -1.9960419 11 F -1.3014592 -0.5953197 -0.4372520 -0.5709705 -1.2500805 -0.3903337 -0.5904622 -0.4751530 -1.2366792 12 F -1.3014592 0.5953197 -0.4372520 0.5709705 -1.2500805 0.3903337 -0.5904622 0.4751530 -1.2366792 13 F -1.3014592 -0.5953197 -0.4372520 -0.5709705 -1.2500805 -0.3903337 -0.5904622 -0.4751530 -1.2366792 14 F -1.3014592 0.5953197 -0.4372520 0.5709705 -1.2500805 0.3903337 -0.5904622 0.4751530 -1.2366792 15 F -1.1765492 -0.4506630 -0.1308107 -0.5791734 -1.2675090 -0.2163552 -0.2785837 -0.2554900 -1.1783496 16 F -1.1765492 0.4506630 -0.1308107 0.5791734 -1.2675090 0.2163552 -0.2785837 0.2554900 -1.1783496 17 Sn 2.7325194 -0.0528579 0.1389135 0.0478299 2.9670898 -0.0043838 0.1425295 0.2406324 3.4477864 18 Sn 2.7325194 0.0528579 0.1389135 -0.0478299 2.9670898 0.0043838 0.1425295 -0.2406324 3.4477864 19 Sn 2.7325194 -0.0528579 0.1389135 0.0478299 2.9670898 -0.0043838 0.1425295 0.2406324 3.4477864 20 Sn 2.7325194 0.0528579 0.1389135 -0.0478299 2.9670898 0.0043838 0.1425295 -0.2406324 3.4477864 21 Sn 3.8978333 0.2756051 0.1244682 -0.2434773 4.0913379 0.0401024 0.0011754 0.3931794 4.2047666 22 Sn 3.8978333 -0.2756051 0.1244682 0.2434773 4.0913379 -0.0401024 0.0011754 -0.3931794 4.2047666 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 9 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: 0.59, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/110) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 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 1.206 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.554 ( 0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 0.000) 0.000 2.228 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.829 ( 0.000 0.000 0.000) 0.000 2.853 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.453 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.462 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.423 ( 0.000 0.000 0.000) 0.000 4.457 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.715 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 7.018 ( 0.000 0.000 0.000) 0.000 7.125 ( 0.000 0.000 0.000) 0.000 7.157 ( 0.000 0.000 0.000) 0.000 7.173 ( 0.000 0.000 0.000) 0.000 7.466 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 0.000) 0.000 8.047 ( 0.000 0.000 0.000) 0.000 8.190 ( 0.000 0.000 0.000) 0.000 10.280 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 11.981 ( 0.000 0.000 0.000) 0.000 12.188 ( 0.000 0.000 0.000) 0.000 12.260 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.773 ( 0.000 0.000 0.000) 0.000 14.474 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 14.725 ( 0.000 0.000 0.000) 0.000 15.038 ( 0.000 0.000 0.000) 0.000 15.429 ( 0.000 0.000 0.000) 0.000 15.726 ( 0.000 0.000 0.000) 0.000 16.077 ( 0.000 0.000 0.000) 0.000 16.177 ( 0.000 0.000 0.000) 0.000 16.434 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/110) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.286 ( 14.600 0.000 1.780) 14.708 0.367 ( 12.738 0.000 14.682) 19.438 0.591 ( 16.757 0.000 31.158) 35.378 1.121 ( 1.520 0.000 -14.388) 14.468 1.138 ( -3.920 0.000 -12.001) 12.625 1.546 ( 2.502 0.000 11.600) 11.867 1.725 ( 4.554 0.000 9.031) 10.114 1.847 ( 1.746 0.000 8.528) 8.705 2.218 ( -0.360 0.000 -3.662) 3.680 2.220 ( -0.737 0.000 -5.512) 5.561 2.353 ( -6.494 0.000 -16.661) 17.882 2.434 ( -3.867 0.000 -5.488) 6.714 2.657 ( 1.911 0.000 -2.331) 3.014 2.750 ( -4.378 0.000 14.256) 14.913 2.839 ( -0.675 0.000 -1.774) 1.898 2.928 ( 1.108 0.000 8.561) 8.632 3.082 ( 0.727 0.000 7.130) 7.167 3.278 ( -0.683 0.000 -4.253) 4.307 3.441 ( -0.990 0.000 -1.124) 1.498 3.494 ( 0.564 0.000 7.561) 7.582 3.551 ( -2.506 0.000 -2.542) 3.570 3.930 ( -2.819 0.000 4.891) 5.646 3.977 ( -3.035 0.000 1.514) 3.391 3.996 ( -1.627 0.000 6.943) 7.131 4.063 ( -2.503 0.000 4.317) 4.990 4.311 ( -6.225 0.000 -3.138) 6.971 4.472 ( -4.419 0.000 -4.382) 6.224 4.509 ( 1.125 0.000 0.752) 1.353 4.691 ( -10.299 0.000 32.908) 34.482 4.907 ( -1.798 0.000 -0.290) 1.821 4.963 ( -10.324 0.000 32.279) 33.889 5.427 ( -11.577 0.000 -14.500) 18.555 5.876 ( -2.771 0.000 0.995) 2.944 5.900 ( -5.033 0.000 18.920) 19.578 6.083 ( 1.776 0.000 3.971) 4.350 6.171 ( -0.981 0.000 -0.581) 1.140 6.418 ( 2.887 0.000 -1.261) 3.150 6.435 ( -0.810 0.000 -3.735) 3.822 7.046 ( -2.961 0.000 -2.633) 3.963 7.059 ( 2.843 0.000 0.917) 2.987 7.175 ( 1.879 0.000 0.413) 1.923 7.253 ( 2.888 0.000 3.334) 4.411 7.381 ( 3.589 0.000 -12.128) 12.648 7.493 ( 1.052 0.000 -2.456) 2.671 7.657 ( 2.338 0.000 0.110) 2.341 7.718 ( 1.421 0.000 -1.269) 1.905 7.899 ( -9.162 0.000 0.128) 9.163 8.045 ( 0.704 0.000 -1.787) 1.920 8.264 ( 4.917 0.000 -0.399) 4.933 8.371 ( -7.286 0.000 16.108) 17.679 10.285 ( 0.336 0.000 0.216) 0.400 10.316 ( -0.333 0.000 -0.216) 0.397 12.005 ( 0.677 0.000 4.069) 4.125 12.039 ( -1.378 0.000 -17.226) 17.281 12.553 ( 12.818 0.000 4.146) 13.472 12.755 ( -0.993 0.000 -1.886) 2.131 12.793 ( 4.158 0.000 1.962) 4.597 14.006 ( -17.966 0.000 -19.734) 26.687 14.900 ( -6.646 0.000 13.969) 15.470 14.913 ( 6.312 0.000 11.166) 12.827 15.105 ( -2.691 0.000 6.758) 7.274 15.646 ( 16.245 0.000 15.194) 22.243 15.932 ( -13.857 0.000 -3.889) 14.392 16.166 ( -0.614 0.000 -1.099) 1.259 16.391 ( 0.034 0.000 -7.823) 7.823 17.209 ( -3.469 0.000 -6.274) 7.169 ======================= Grid point 2 (3/110) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 14.352 0.000 4.348) 14.996 0.705 ( 11.264 0.000 12.142) 16.563 0.909 ( -2.006 0.000 -10.503) 10.693 1.098 ( 5.562 0.000 -8.585) 10.229 1.173 ( 12.837 0.000 24.106) 27.311 1.614 ( -2.100 0.000 1.439) 2.546 1.861 ( 2.895 0.000 3.757) 4.743 1.905 ( -5.447 0.000 -6.310) 8.336 2.052 ( 1.531 0.000 -1.768) 2.339 2.178 ( 0.106 0.000 -4.208) 4.209 2.295 ( 2.345 0.000 -1.290) 2.676 2.317 ( -1.292 0.000 -9.780) 9.865 2.677 ( 1.402 0.000 -0.073) 1.404 2.766 ( -6.518 0.000 14.521) 15.916 2.811 ( 1.501 0.000 -4.654) 4.890 2.932 ( -3.631 0.000 -0.851) 3.729 3.167 ( 2.858 0.000 4.689) 5.492 3.230 ( -1.333 0.000 -2.915) 3.205 3.411 ( -1.272 0.000 -0.568) 1.393 3.482 ( -2.633 0.000 -1.368) 2.967 3.580 ( 1.920 0.000 7.364) 7.611 3.878 ( -3.455 0.000 -2.565) 4.303 3.942 ( -1.808 0.000 3.321) 3.781 3.999 ( -1.778 0.000 -0.897) 1.991 4.056 ( -2.779 0.000 6.957) 7.491 4.167 ( -6.272 0.000 -2.455) 6.736 4.347 ( -4.673 0.000 -3.261) 5.698 4.497 ( -2.443 0.000 -0.224) 2.453 4.774 ( -4.851 0.000 24.793) 25.263 4.808 ( -7.346 0.000 -8.027) 10.881 5.034 ( -2.823 0.000 16.450) 16.691 5.094 ( -9.078 0.000 -14.023) 16.705 5.755 ( -4.077 0.000 -3.659) 5.478 5.948 ( -0.749 0.000 4.992) 5.048 6.147 ( -0.611 0.000 -1.676) 1.784 6.218 ( 4.967 0.000 4.833) 6.931 6.367 ( -2.015 0.000 -5.137) 5.518 6.446 ( 0.920 0.000 -0.065) 0.922 7.009 ( 0.159 0.000 0.560) 0.582 7.104 ( 0.642 0.000 1.290) 1.441 7.233 ( 3.270 0.000 1.032) 3.429 7.306 ( -0.050 0.000 2.136) 2.136 7.344 ( 0.417 0.000 -5.613) 5.628 7.490 ( 1.309 0.000 -4.158) 4.359 7.646 ( -7.074 0.000 0.812) 7.120 7.737 ( 0.585 0.000 0.471) 0.751 7.799 ( 2.612 0.000 -0.854) 2.748 8.051 ( 1.820 0.000 -2.314) 2.944 8.332 ( 2.503 0.000 -0.662) 2.589 8.356 ( -4.172 0.000 7.744) 8.797 10.297 ( 0.651 0.000 0.413) 0.771 10.305 ( -0.648 0.000 -0.265) 0.700 11.905 ( -1.491 0.000 -10.035) 10.146 12.064 ( 0.665 0.000 7.098) 7.129 12.714 ( 2.222 0.000 1.286) 2.567 12.716 ( -0.585 0.000 -3.078) 3.133 13.057 ( 13.426 0.000 19.960) 24.055 13.544 ( -15.368 0.000 -17.286) 23.130 14.866 ( -1.336 0.000 -3.798) 4.027 15.012 ( 0.290 0.000 3.253) 3.266 15.120 ( -2.084 0.000 8.836) 9.078 15.534 ( -18.665 0.000 -12.568) 22.502 16.142 ( -0.459 0.000 -2.041) 2.092 16.157 ( 18.289 0.000 22.059) 28.655 16.335 ( -0.208 0.000 -6.089) 6.092 17.041 ( -9.151 0.000 -5.405) 10.628 ======================= Grid point 3 (4/110) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( -1.634 0.000 -13.212) 13.312 0.895 ( 13.192 0.000 7.003) 14.935 0.963 ( 7.405 0.000 5.174) 9.033 1.156 ( 3.683 0.000 -3.606) 5.155 1.440 ( -7.250 0.000 -14.217) 15.959 1.578 ( 8.378 0.000 19.729) 21.434 1.781 ( 1.510 0.000 -6.169) 6.352 1.850 ( -3.028 0.000 -5.767) 6.514 2.159 ( 2.208 0.000 8.917) 9.186 2.179 ( 2.800 0.000 -1.506) 3.179 2.264 ( 1.183 0.000 -2.116) 2.425 2.349 ( 2.027 0.000 3.677) 4.199 2.703 ( 0.580 0.000 0.348) 0.677 2.729 ( -3.681 0.000 2.743) 4.591 2.811 ( -5.379 0.000 -5.279) 7.536 2.839 ( 1.481 0.000 2.703) 3.082 3.178 ( -2.386 0.000 -1.420) 2.777 3.256 ( 2.949 0.000 3.439) 4.530 3.396 ( -0.034 0.000 0.837) 0.837 3.440 ( -1.271 0.000 0.497) 1.364 3.674 ( 3.235 0.000 3.547) 4.801 3.765 ( -4.764 0.000 -6.063) 7.711 3.906 ( -5.002 0.000 -4.428) 6.680 3.975 ( 1.582 0.000 4.894) 5.143 4.037 ( -5.910 0.000 -1.961) 6.227 4.063 ( -2.329 0.000 6.612) 7.010 4.259 ( -2.797 0.000 -1.287) 3.079 4.417 ( -6.238 0.000 -2.392) 6.681 4.509 ( -8.319 0.000 -15.810) 17.865 4.894 ( -0.617 0.000 17.562) 17.573 4.894 ( -4.670 0.000 -9.028) 10.165 5.109 ( -1.418 0.000 13.097) 13.174 5.717 ( 1.561 0.000 0.188) 1.572 5.928 ( -2.963 0.000 -2.347) 3.780 6.090 ( -1.151 0.000 -8.268) 8.348 6.285 ( -0.146 0.000 -1.371) 1.379 6.334 ( 0.703 0.000 1.750) 1.886 6.479 ( 1.708 0.000 3.582) 3.968 7.052 ( 2.348 0.000 3.195) 3.965 7.104 ( -1.445 0.000 0.815) 1.659 7.273 ( -2.595 0.000 -0.880) 2.740 7.302 ( 2.449 0.000 1.693) 2.977 7.327 ( 0.134 0.000 -2.503) 2.507 7.469 ( -0.817 0.000 -3.155) 3.259 7.512 ( -4.669 0.000 -0.106) 4.671 7.740 ( -0.703 0.000 0.317) 0.771 7.890 ( 5.762 0.000 -0.883) 5.830 8.084 ( 3.066 0.000 -1.277) 3.322 8.336 ( -2.988 0.000 4.276) 5.217 8.351 ( 0.391 0.000 -0.860) 0.945 10.288 ( -0.841 0.000 -0.275) 0.885 10.315 ( 0.808 0.000 0.510) 0.955 11.820 ( -0.966 0.000 -5.618) 5.700 12.137 ( 0.559 0.000 8.535) 8.554 12.695 ( 0.468 0.000 -2.728) 2.768 12.733 ( 0.270 0.000 -0.807) 0.851 13.147 ( -12.268 0.000 -15.558) 19.813 13.517 ( 13.543 0.000 28.268) 31.345 14.787 ( -0.150 0.000 -12.786) 12.787 14.981 ( -5.529 0.000 -6.616) 8.622 15.146 ( -8.731 0.000 -6.568) 10.925 15.163 ( -1.193 0.000 9.084) 9.162 16.126 ( 1.144 0.000 -2.708) 2.940 16.283 ( -1.178 0.000 -3.782) 3.961 16.610 ( 11.668 0.000 18.356) 21.751 16.789 ( -12.173 0.000 -5.772) 13.472 ======================= Grid point 4 (5/110) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.572 0.000 -8.346) 8.365 0.925 ( -5.227 0.000 -15.323) 16.190 1.189 ( 10.905 0.000 8.917) 14.087 1.202 ( 3.633 0.000 1.786) 4.048 1.328 ( 0.271 0.000 -1.384) 1.410 1.671 ( -5.875 0.000 -8.859) 10.630 1.779 ( 0.799 0.000 4.161) 4.237 1.814 ( 3.840 0.000 -1.084) 3.990 2.257 ( 2.365 0.000 4.529) 5.109 2.283 ( 3.598 0.000 1.965) 4.099 2.300 ( 3.030 0.000 6.896) 7.532 2.415 ( 0.387 0.000 6.526) 6.538 2.630 ( -4.418 0.000 -7.946) 9.092 2.679 ( -1.676 0.000 -2.595) 3.089 2.735 ( -0.888 0.000 1.256) 1.539 2.891 ( 1.164 0.000 3.001) 3.218 3.122 ( -2.205 0.000 -1.103) 2.466 3.332 ( 3.031 0.000 1.836) 3.544 3.436 ( 1.839 0.000 5.187) 5.504 3.441 ( 0.153 0.000 1.785) 1.792 3.610 ( -5.688 0.000 -6.602) 8.714 3.742 ( 2.264 0.000 -3.369) 4.059 3.780 ( -4.060 0.000 -3.406) 5.300 3.898 ( -5.157 0.000 -3.359) 6.155 4.051 ( 1.907 0.000 3.068) 3.613 4.070 ( -1.611 0.000 4.795) 5.058 4.197 ( -5.332 0.000 -9.320) 10.738 4.212 ( -1.144 0.000 -1.458) 1.853 4.421 ( -0.321 0.000 3.982) 3.995 4.725 ( -5.045 0.000 -10.333) 11.499 4.992 ( 0.700 0.000 5.470) 5.514 5.211 ( 0.256 0.000 15.948) 15.950 5.789 ( -4.761 0.000 -10.966) 11.955 5.798 ( 4.526 0.000 3.217) 5.553 6.031 ( -0.143 0.000 -3.057) 3.060 6.214 ( -3.909 0.000 -3.843) 5.481 6.385 ( 1.702 0.000 2.567) 3.080 6.547 ( 1.821 0.000 3.185) 3.669 7.069 ( -2.010 0.000 -0.285) 2.030 7.127 ( 2.021 0.000 4.033) 4.511 7.221 ( -1.721 0.000 -1.243) 2.123 7.300 ( -0.606 0.000 -2.513) 2.585 7.337 ( -0.444 0.000 2.517) 2.556 7.440 ( 0.547 0.000 -1.469) 1.568 7.468 ( -0.669 0.000 -1.122) 1.307 7.720 ( -1.069 0.000 -0.212) 1.089 7.978 ( 3.689 0.000 -0.547) 3.729 8.139 ( 2.963 0.000 -0.249) 2.973 8.311 ( -2.185 0.000 1.954) 2.931 8.342 ( -0.496 0.000 -0.652) 0.819 10.272 ( -0.622 0.000 -0.213) 0.657 10.332 ( 0.581 0.000 0.369) 0.688 11.776 ( -0.441 0.000 -2.508) 2.546 12.234 ( 2.398 0.000 10.135) 10.415 12.622 ( -5.317 0.000 -9.630) 11.000 12.724 ( -0.353 0.000 -0.803) 0.877 12.898 ( -2.840 0.000 -5.897) 6.546 13.979 ( 10.403 0.000 28.510) 30.349 14.652 ( -1.243 0.000 -18.558) 18.600 14.751 ( -6.438 0.000 -9.021) 11.083 15.084 ( -0.609 0.000 0.663) 0.900 15.206 ( -0.796 0.000 6.033) 6.086 16.158 ( 4.672 0.000 -2.165) 5.149 16.236 ( -1.146 0.000 -1.881) 2.203 16.511 ( -12.147 0.000 -4.407) 12.922 16.881 ( 5.124 0.000 9.868) 11.119 ======================= Grid point 5 (6/110) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 0.000 0.000) 0.000 0.785 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 -0.000) 0.000 1.426 ( 0.000 0.000 0.000) 0.000 1.474 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 -0.000) 0.000 1.858 ( 0.000 0.000 -0.000) 0.000 2.303 ( 0.000 0.000 -0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.409 ( 0.000 0.000 0.000) 0.000 2.464 ( -0.000 0.000 -0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 -0.000) 0.000 2.916 ( 0.000 0.000 -0.000) 0.000 3.092 ( 0.000 0.000 -0.000) 0.000 3.388 ( -0.000 0.000 -0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 -0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 -0.000) 0.000 4.075 ( 0.000 0.000 -0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 -0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 -0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 6.020 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 -0.000) 0.000 6.414 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 -0.000) 0.000 7.045 ( 0.000 0.000 0.000) 0.000 7.172 ( 0.000 0.000 -0.000) 0.000 7.194 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.342 ( 0.000 0.000 -0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.463 ( 0.000 0.000 -0.000) 0.000 7.707 ( 0.000 0.000 -0.000) 0.000 8.012 ( 0.000 0.000 0.000) 0.000 8.172 ( 0.000 0.000 -0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.333 ( 0.000 0.000 -0.000) 0.000 10.264 ( 0.000 0.000 -0.000) 0.000 10.340 ( 0.000 0.000 0.000) 0.000 11.762 ( 0.000 0.000 0.000) 0.000 12.380 ( -0.000 0.000 -0.000) 0.000 12.428 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 12.871 ( 0.000 0.000 -0.000) 0.000 14.270 ( 0.000 0.000 0.000) 0.000 14.495 ( 0.000 0.000 0.000) 0.000 14.652 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.222 ( 0.000 0.000 0.000) 0.000 16.217 ( 0.000 0.000 -0.000) 0.000 16.278 ( 0.000 0.000 0.000) 0.000 16.288 ( -0.000 0.000 -0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/110) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.112 ( 0.000 6.028 0.000) 6.028 0.432 ( 0.000 20.612 0.000) 20.612 0.605 ( 0.000 27.895 0.000) 27.895 1.096 ( 0.000 -4.513 0.000) 4.513 1.378 ( 0.000 -1.438 0.000) 1.438 1.388 ( 0.000 6.657 0.000) 6.657 1.581 ( 0.000 0.889 0.000) 0.889 1.933 ( 0.000 10.676 0.000) 10.676 2.167 ( 0.000 -6.191 0.000) 6.191 2.444 ( 0.000 -2.480 0.000) 2.480 2.509 ( 0.000 0.236 0.000) 0.236 2.518 ( 0.000 -5.325 0.000) 5.325 2.669 ( 0.000 -1.717 0.000) 1.717 2.737 ( 0.000 0.097 0.000) 0.097 2.839 ( 0.000 1.911 0.000) 1.911 2.938 ( 0.000 5.631 0.000) 5.631 3.312 ( 0.000 -0.408 0.000) 0.408 3.330 ( 0.000 2.009 0.000) 2.009 3.452 ( 0.000 -0.111 0.000) 0.111 3.478 ( 0.000 -1.208 0.000) 1.208 3.482 ( 0.000 1.754 0.000) 1.754 3.580 ( 0.000 -1.254 0.000) 1.254 3.977 ( 0.000 3.845 0.000) 3.845 4.059 ( 0.000 -0.231 0.000) 0.231 4.139 ( 0.000 -1.034 0.000) 1.034 4.244 ( 0.000 -1.685 0.000) 1.685 4.425 ( 0.000 -0.837 0.000) 0.837 4.534 ( 0.000 5.815 0.000) 5.815 4.536 ( 0.000 -0.526 0.000) 0.526 4.839 ( 0.000 4.578 0.000) 4.578 4.984 ( 0.000 2.960 0.000) 2.960 5.501 ( 0.000 -11.830 0.000) 11.830 5.734 ( 0.000 -0.265 0.000) 0.265 5.823 ( 0.000 2.551 0.000) 2.551 6.113 ( 0.000 -0.926 0.000) 0.926 6.229 ( 0.000 3.692 0.000) 3.692 6.502 ( 0.000 4.111 0.000) 4.111 6.858 ( 0.000 0.583 0.000) 0.583 6.916 ( 0.000 1.352 0.000) 1.352 7.023 ( 0.000 -1.348 0.000) 1.348 7.166 ( 0.000 3.251 0.000) 3.251 7.178 ( 0.000 0.295 0.000) 0.295 7.359 ( 0.000 -6.301 0.000) 6.301 7.395 ( 0.000 -3.246 0.000) 3.246 7.532 ( 0.000 0.158 0.000) 0.158 7.612 ( 0.000 -1.866 0.000) 1.866 7.750 ( 0.000 0.027 0.000) 0.027 8.001 ( 0.000 -8.791 0.000) 8.791 8.051 ( 0.000 2.918 0.000) 2.918 8.125 ( 0.000 -1.027 0.000) 1.027 10.464 ( 0.000 15.441 0.000) 15.441 11.862 ( 0.000 -2.415 0.000) 2.415 11.948 ( 0.000 -3.216 0.000) 3.216 12.194 ( 0.000 -5.529 0.000) 5.529 12.224 ( 0.000 3.394 0.000) 3.394 12.801 ( 0.000 4.263 0.000) 4.263 12.865 ( 0.000 7.936 0.000) 7.936 14.123 ( 0.000 -29.117 0.000) 29.117 14.749 ( 0.000 0.653 0.000) 0.653 14.823 ( 0.000 0.551 0.000) 0.551 15.299 ( 0.000 10.997 0.000) 10.997 15.775 ( 0.000 5.682 0.000) 5.682 16.095 ( 0.000 1.817 0.000) 1.817 16.146 ( 0.000 -3.206 0.000) 3.206 16.319 ( 0.000 -6.518 0.000) 6.518 16.708 ( 0.000 -2.506 0.000) 2.506 ======================= Grid point 12 (8/110) ======================= q-point: ( 0.10 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 9.609 2.763 -0.724) 10.024 0.484 ( 7.930 11.177 12.459) 18.521 0.887 ( 10.770 17.059 12.804) 23.895 1.040 ( 2.859 1.905 -3.405) 4.837 1.227 ( -3.006 5.311 -14.555) 15.783 1.503 ( 3.494 -2.501 10.419) 11.270 1.762 ( 6.069 1.067 13.346) 14.700 1.911 ( -1.186 4.138 -1.992) 4.743 2.139 ( -0.627 -0.468 -2.047) 2.192 2.294 ( -7.462 -4.960 -18.170) 20.259 2.422 ( 1.253 4.533 -7.124) 8.536 2.446 ( -5.166 3.530 -4.860) 7.923 2.644 ( -1.397 0.738 1.145) 1.951 2.780 ( -0.344 -1.992 9.340) 9.556 2.867 ( 1.002 4.033 -2.389) 4.794 2.962 ( -0.222 2.891 4.782) 5.593 3.092 ( -3.313 0.453 2.163) 3.982 3.294 ( -1.419 1.367 -4.921) 5.300 3.437 ( -0.321 0.091 -1.523) 1.559 3.500 ( -0.640 1.463 5.316) 5.551 3.558 ( -0.889 0.228 1.359) 1.641 3.790 ( 0.963 -9.015 14.478) 17.083 3.999 ( -0.808 1.619 4.206) 4.579 4.019 ( -2.894 0.822 -2.671) 4.024 4.055 ( -1.463 0.425 3.113) 3.466 4.319 ( -4.059 -0.532 -3.559) 5.425 4.456 ( -3.881 -1.020 -0.332) 4.026 4.502 ( -3.025 -1.847 10.518) 11.100 4.586 ( 1.698 -2.750 16.327) 16.643 4.888 ( 1.500 2.214 6.109) 6.669 4.958 ( -2.858 3.169 0.958) 4.373 5.380 ( -9.243 -5.211 -12.645) 16.508 5.729 ( 2.859 -6.434 6.470) 9.562 5.907 ( -2.126 0.185 1.042) 2.375 6.093 ( 1.551 -0.144 2.444) 2.898 6.210 ( -0.981 3.798 -1.181) 4.097 6.495 ( -0.344 5.287 -1.845) 5.610 6.612 ( -8.641 8.834 1.445) 12.442 7.013 ( 0.414 -3.130 -0.094) 3.158 7.095 ( -0.877 3.187 -3.516) 4.825 7.102 ( 4.130 -4.644 -1.409) 6.373 7.267 ( 2.598 0.416 3.314) 4.232 7.345 ( 1.510 -3.652 -4.627) 6.085 7.465 ( 1.759 -2.789 -2.033) 3.873 7.626 ( 2.231 -2.706 0.129) 3.509 7.705 ( 5.453 -3.287 1.579) 6.560 7.826 ( 1.131 -9.234 5.008) 10.565 7.884 ( 0.824 -8.796 0.594) 8.854 8.075 ( 0.947 1.166 2.197) 2.661 8.224 ( 6.015 -2.573 0.434) 6.557 10.460 ( -0.907 14.948 1.286) 15.030 11.171 ( -35.168 32.359 -7.675) 48.402 11.964 ( 1.164 -3.531 -1.296) 3.937 12.046 ( -2.003 -0.165 -10.132) 10.329 12.455 ( 7.678 -5.511 10.921) 14.443 12.776 ( -1.210 3.095 -3.026) 4.495 12.973 ( 7.523 11.574 0.441) 13.811 13.894 ( -13.725 -12.703 -15.945) 24.577 14.649 ( 3.995 -6.105 6.016) 9.457 14.910 ( -2.357 -0.416 5.468) 5.968 15.525 ( -12.884 16.414 -1.034) 20.892 15.648 ( 17.757 1.759 14.789) 23.175 15.940 ( -13.419 1.130 -0.155) 13.467 16.157 ( -0.250 -0.844 -0.858) 1.229 16.322 ( 1.628 -6.022 -6.115) 8.736 16.897 ( 5.102 -18.121 0.290) 18.828 ======================= Grid point 13 (9/110) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 14.818 -5.280 5.233) 16.578 0.777 ( 9.561 5.624 12.003) 16.344 0.958 ( 1.604 4.725 -7.883) 9.329 1.108 ( 3.515 1.511 -8.404) 9.234 1.333 ( 9.899 12.624 19.257) 25.064 1.593 ( -0.844 -0.770 2.225) 2.501 1.871 ( 0.635 -1.968 -4.151) 4.638 1.927 ( -3.885 1.312 -2.453) 4.778 2.018 ( 1.652 -0.118 -1.273) 2.089 2.165 ( 1.533 -0.786 -2.981) 3.443 2.312 ( -2.588 2.689 -6.978) 7.913 2.411 ( 1.297 6.221 -3.461) 7.237 2.649 ( -0.719 -0.474 3.104) 3.221 2.809 ( -2.670 0.752 6.823) 7.366 2.852 ( 0.159 3.521 -2.717) 4.451 2.959 ( -3.084 2.152 0.788) 3.842 3.124 ( 2.382 -3.520 3.617) 5.581 3.237 ( -1.072 0.725 -3.018) 3.284 3.411 ( -1.409 0.436 -0.995) 1.779 3.469 ( -2.063 -0.716 -0.720) 2.299 3.619 ( 1.663 3.106 6.945) 7.788 3.821 ( -2.638 -3.938 2.173) 5.214 3.938 ( -2.516 -0.477 0.525) 2.614 4.040 ( -0.403 2.256 -0.480) 2.341 4.059 ( -1.764 0.819 6.322) 6.614 4.183 ( -4.441 0.861 -5.814) 7.366 4.342 ( -5.575 -0.036 -0.693) 5.618 4.480 ( -3.598 -0.128 2.028) 4.132 4.754 ( -2.003 -3.094 23.507) 23.794 4.863 ( -7.659 3.770 -5.241) 10.017 4.950 ( 0.015 -1.686 1.955) 2.582 5.088 ( -6.947 -1.158 -9.999) 12.231 5.751 ( -3.333 -1.357 -1.217) 3.798 5.898 ( 2.104 -3.455 3.578) 5.400 6.136 ( -0.242 -1.034 -1.808) 2.097 6.210 ( 0.228 1.350 2.511) 2.859 6.450 ( -1.229 6.480 -4.389) 7.923 6.533 ( -1.491 5.552 1.582) 5.962 7.021 ( 0.620 -2.826 1.733) 3.372 7.065 ( -0.302 0.406 -3.116) 3.156 7.151 ( 1.877 -5.318 -0.055) 5.640 7.301 ( -0.435 -2.473 0.635) 2.590 7.353 ( 1.312 0.317 -0.285) 1.380 7.466 ( -0.119 -2.117 -1.381) 2.531 7.609 ( -5.411 -2.649 -0.166) 6.026 7.744 ( -0.551 -1.022 0.207) 1.179 7.793 ( 5.084 -0.059 -0.848) 5.154 8.016 ( 4.685 -6.723 -3.487) 8.905 8.159 ( 2.331 -6.778 8.187) 10.881 8.313 ( 3.249 -1.606 -0.396) 3.646 10.453 ( -1.090 13.632 1.849) 13.800 10.695 ( -13.007 25.762 -4.234) 29.168 11.900 ( -1.305 -0.678 -9.243) 9.359 12.033 ( -0.290 -2.983 6.674) 7.316 12.646 ( 2.944 -5.037 8.124) 10.002 12.717 ( -1.153 -0.269 -3.887) 4.064 13.180 ( 10.397 10.273 10.836) 18.195 13.527 ( -10.981 -0.608 -14.944) 18.555 14.796 ( 2.266 -7.174 7.168) 10.391 14.884 ( 0.854 -3.022 -3.788) 4.921 15.322 ( -8.761 10.066 -2.783) 13.632 15.590 ( -13.912 4.245 -8.158) 16.677 16.124 ( 5.803 -1.636 11.342) 12.845 16.146 ( 7.788 -0.910 8.316) 11.429 16.294 ( 0.129 -3.819 -4.777) 6.117 16.854 ( -6.321 -15.314 -3.029) 16.842 ======================= Grid point 14 (10/110) ======================= q-point: ( 0.30 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 11.949 -3.844 5.210) 13.591 0.873 ( 2.721 7.297 -5.984) 9.821 1.021 ( 5.021 3.647 -0.361) 6.216 1.181 ( 4.793 1.688 3.289) 6.053 1.451 ( -6.458 1.659 -14.399) 15.867 1.593 ( 3.791 0.805 9.747) 10.489 1.829 ( -2.851 1.237 -5.092) 5.966 1.858 ( 4.012 4.900 1.358) 6.477 2.137 ( 2.641 -1.607 5.327) 6.159 2.195 ( 3.687 -0.001 1.898) 4.147 2.264 ( 0.615 2.266 -1.433) 2.751 2.412 ( 0.140 4.074 0.782) 4.151 2.653 ( -0.969 -0.344 1.609) 1.909 2.768 ( -2.786 0.828 -6.036) 6.699 2.858 ( -1.826 2.860 7.373) 8.116 2.892 ( -1.138 3.644 -2.786) 4.726 3.179 ( -0.245 -0.123 -2.022) 2.040 3.228 ( 2.156 -2.022 4.090) 5.046 3.378 ( -1.120 -0.911 -0.203) 1.458 3.442 ( -0.751 0.450 0.918) 1.269 3.686 ( -0.114 -0.377 0.744) 0.842 3.766 ( -1.364 2.080 -0.563) 2.551 3.908 ( -2.978 0.937 -4.403) 5.397 3.960 ( -2.359 -3.292 -0.582) 4.091 4.085 ( -2.109 3.532 2.170) 4.651 4.103 ( -1.427 4.831 3.447) 6.104 4.259 ( -3.247 0.198 0.594) 3.307 4.416 ( -4.028 -0.146 1.341) 4.247 4.562 ( -9.796 5.271 -16.173) 19.629 4.871 ( -3.413 -1.164 -7.479) 8.303 4.913 ( -0.741 -1.545 20.993) 21.062 5.045 ( -0.126 -2.062 3.569) 4.124 5.718 ( 1.070 -0.374 0.245) 1.160 5.918 ( -2.598 -1.176 -1.476) 3.212 6.074 ( -1.577 -1.297 -6.402) 6.720 6.224 ( 0.069 -2.073 1.715) 2.691 6.389 ( -2.278 3.091 -2.727) 4.710 6.575 ( 2.690 6.695 4.393) 8.447 7.016 ( -1.745 -5.092 -3.714) 6.540 7.075 ( 2.374 -0.623 3.418) 4.209 7.170 ( -0.213 -4.959 1.131) 5.091 7.290 ( -1.226 -3.605 0.883) 3.909 7.371 ( 0.434 1.914 0.034) 1.963 7.435 ( -2.278 -2.719 -0.017) 3.547 7.508 ( -2.538 -0.086 -2.650) 3.670 7.747 ( -0.208 -0.209 0.345) 0.454 7.898 ( 5.954 0.765 -0.906) 6.071 8.068 ( 4.124 -2.937 -2.730) 5.752 8.233 ( -0.480 -5.823 5.696) 8.159 8.346 ( 1.121 -0.154 -1.207) 1.654 10.449 ( -0.648 11.939 1.401) 12.038 10.512 ( -5.104 17.520 -1.946) 18.352 11.818 ( -1.139 -0.364 -5.506) 5.635 12.083 ( -0.647 -5.317 7.773) 9.440 12.604 ( -3.149 -5.039 -7.033) 9.207 12.775 ( 2.880 1.223 5.045) 5.936 13.237 ( -7.624 7.859 -11.573) 15.932 13.532 ( 11.353 2.234 20.961) 23.943 14.739 ( -1.854 -3.112 -13.332) 13.815 14.977 ( 2.501 -5.867 8.789) 10.860 15.083 ( -8.672 5.835 -11.618) 15.628 15.369 ( -6.326 10.922 0.710) 12.641 16.113 ( 0.569 -1.331 -2.664) 3.032 16.252 ( -0.953 -2.870 -3.190) 4.395 16.514 ( 8.266 -9.369 15.075) 19.579 16.666 ( -9.023 -10.327 -2.334) 13.911 ======================= Grid point 15 (11/110) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.764 12.916 -4.587) 13.728 0.982 ( -2.935 4.618 -11.193) 12.459 1.099 ( 9.946 -3.642 6.819) 12.597 1.283 ( 3.377 3.744 3.335) 6.045 1.295 ( -1.022 -1.720 -3.690) 4.197 1.643 ( -4.589 -1.968 -6.845) 8.473 1.730 ( 1.630 0.128 0.187) 1.645 1.964 ( 2.293 9.148 3.485) 10.055 2.235 ( 2.529 -2.126 5.532) 6.444 2.282 ( 1.905 0.219 0.623) 2.017 2.304 ( 3.717 0.973 3.801) 5.405 2.438 ( 0.188 1.050 5.560) 5.661 2.624 ( -3.115 -0.158 -5.116) 5.992 2.643 ( -2.573 0.536 -3.814) 4.632 2.850 ( -0.716 6.170 -0.444) 6.227 2.908 ( 0.477 0.859 3.355) 3.496 3.136 ( -1.963 1.164 -1.518) 2.741 3.325 ( 4.084 -1.217 3.409) 5.457 3.376 ( 0.858 -3.039 0.593) 3.213 3.454 ( -0.325 0.613 3.970) 4.030 3.598 ( -4.633 -0.600 -5.245) 7.023 3.744 ( -2.375 -0.017 -4.225) 4.847 3.832 ( 0.024 4.043 -3.161) 5.132 3.907 ( -2.462 1.334 -2.054) 3.473 4.059 ( -0.115 1.968 1.711) 2.610 4.141 ( -0.343 4.000 3.433) 5.283 4.190 ( -3.297 2.265 -2.129) 4.531 4.335 ( -3.506 8.090 -3.849) 9.620 4.404 ( 0.394 -0.752 3.739) 3.834 4.720 ( -4.720 -0.428 -10.008) 11.073 5.016 ( -0.329 1.915 3.658) 4.142 5.126 ( 2.033 -6.681 14.631) 16.212 5.742 ( -2.917 -3.219 -6.862) 8.122 5.820 ( 1.294 1.121 0.089) 1.715 6.030 ( -0.227 -0.069 -1.258) 1.280 6.193 ( -2.975 -1.292 -4.173) 5.285 6.360 ( -0.129 -1.385 2.034) 2.464 6.665 ( 2.612 8.184 3.699) 9.353 6.947 ( -2.127 -7.154 -3.129) 8.093 7.153 ( 1.907 -3.699 2.919) 5.083 7.174 ( 0.488 -0.120 2.078) 2.137 7.270 ( -1.629 -4.973 1.655) 5.489 7.336 ( -2.497 0.883 -2.680) 3.768 7.430 ( 0.927 -1.012 1.023) 1.712 7.463 ( -0.530 -0.039 -2.570) 2.624 7.738 ( -0.662 0.636 -0.144) 0.929 7.987 ( 3.684 0.825 -0.545) 3.814 8.132 ( 4.268 -2.333 -1.577) 5.113 8.237 ( -2.549 -4.069 3.326) 5.841 8.348 ( 0.225 0.916 -0.948) 1.338 10.434 ( -1.487 12.760 -1.414) 12.924 10.454 ( -0.685 11.751 1.331) 11.846 11.770 ( -0.599 -0.713 -2.538) 2.703 12.135 ( -0.030 -9.810 7.158) 12.144 12.475 ( -3.431 -4.369 -8.095) 9.818 12.868 ( 2.650 5.649 4.365) 7.615 13.050 ( -4.032 13.279 -7.281) 15.672 13.902 ( 8.392 -6.853 20.870) 23.515 14.589 ( -2.056 -2.839 -11.608) 12.126 14.837 ( -5.225 4.743 -12.365) 14.236 15.105 ( 2.375 2.456 6.922) 7.719 15.293 ( -3.246 7.444 0.926) 8.174 16.127 ( 3.533 -2.976 -2.796) 5.400 16.214 ( -0.826 -2.118 -1.458) 2.701 16.419 ( -10.166 -8.323 -2.719) 13.417 16.765 ( 4.136 -10.632 8.920) 14.481 ======================= Grid point 16 (12/110) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 14.960 -0.000) 14.960 0.884 ( 0.000 8.503 0.000) 8.503 1.227 ( 0.000 -1.224 0.000) 1.224 1.272 ( 0.000 -3.872 -0.000) 3.872 1.434 ( 0.000 1.100 -0.000) 1.100 1.449 ( 0.000 -2.040 0.000) 2.040 1.769 ( 0.000 0.580 -0.000) 0.580 2.000 ( 0.000 9.626 -0.000) 9.626 2.265 ( 0.000 -2.297 -0.000) 2.297 2.319 ( 0.000 0.878 -0.000) 0.878 2.383 ( 0.000 -2.347 0.000) 2.347 2.462 ( 0.000 -0.478 -0.000) 0.478 2.559 ( 0.000 2.870 0.000) 2.870 2.595 ( 0.000 -1.036 -0.000) 1.036 2.841 ( 0.000 6.428 0.000) 6.428 2.929 ( 0.000 0.765 0.000) 0.765 3.105 ( 0.000 1.017 0.000) 1.017 3.381 ( -0.000 -1.283 -0.000) 1.283 3.445 ( 0.000 -3.845 -0.000) 3.845 3.458 ( 0.000 -0.922 0.000) 0.922 3.487 ( 0.000 0.935 0.000) 0.935 3.713 ( 0.000 1.641 -0.000) 1.641 3.758 ( 0.000 3.757 0.000) 3.757 3.913 ( 0.000 4.592 -0.000) 4.592 4.071 ( 0.000 -0.549 -0.000) 0.549 4.118 ( 0.000 0.628 0.000) 0.628 4.167 ( 0.000 6.831 -0.000) 6.831 4.294 ( 0.000 8.640 0.000) 8.640 4.480 ( 0.000 -0.556 0.000) 0.556 4.585 ( 0.000 -0.006 0.000) 0.006 5.020 ( 0.000 0.319 0.000) 0.319 5.237 ( 0.000 -5.987 0.000) 5.987 5.631 ( 0.000 -2.575 -0.000) 2.575 5.880 ( 0.000 0.021 0.000) 0.021 6.028 ( 0.000 0.686 0.000) 0.686 6.119 ( 0.000 -1.177 -0.000) 1.177 6.374 ( 0.000 -2.753 0.000) 2.753 6.710 ( 0.000 9.677 -0.000) 9.677 6.909 ( 0.000 -8.693 0.000) 8.693 7.163 ( 0.000 -3.343 0.000) 3.343 7.240 ( -0.000 0.503 -0.000) 0.503 7.249 ( 0.000 -1.389 0.000) 1.389 7.281 ( 0.000 -3.580 -0.000) 3.580 7.446 ( -0.000 0.147 0.000) 0.147 7.447 ( 0.000 -1.113 -0.000) 1.113 7.729 ( 0.000 1.008 0.000) 1.008 8.021 ( 0.000 0.787 0.000) 0.787 8.193 ( 0.000 2.177 -0.000) 2.177 8.200 ( -0.000 -7.963 0.000) 7.963 8.346 ( 0.000 1.360 0.000) 1.360 10.414 ( 0.000 12.392 -0.000) 12.392 10.454 ( 0.000 10.693 -0.000) 10.693 11.754 ( 0.000 -0.931 0.000) 0.931 12.175 ( 0.000 -15.729 -0.000) 15.729 12.394 ( 0.000 1.157 0.000) 1.157 12.924 ( 0.000 5.513 0.000) 5.513 12.972 ( 0.000 16.118 -0.000) 16.118 14.091 ( 0.000 -14.634 0.000) 14.634 14.521 ( 0.000 2.430 0.000) 2.430 14.716 ( 0.000 4.329 0.000) 4.329 15.165 ( 0.000 7.051 0.000) 7.051 15.258 ( 0.000 3.358 0.000) 3.358 16.175 ( 0.000 -4.532 -0.000) 4.532 16.237 ( 0.000 -3.209 0.000) 3.209 16.243 ( -0.000 -4.077 -0.000) 4.077 16.840 ( 0.000 -11.826 0.000) 11.826 ======================= Grid point 22 (13/110) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.277 ( 0.000 9.988 0.000) 9.988 0.855 ( 0.000 20.069 0.000) 20.069 1.012 ( 0.000 2.455 0.000) 2.455 1.171 ( 0.000 18.869 0.000) 18.869 1.401 ( 0.000 2.996 0.000) 2.996 1.513 ( 0.000 6.035 0.000) 6.035 1.605 ( 0.000 2.423 0.000) 2.423 2.024 ( 0.000 -6.533 0.000) 6.533 2.109 ( 0.000 1.959 0.000) 1.959 2.338 ( 0.000 -1.547 0.000) 1.547 2.499 ( 0.000 -1.997 0.000) 1.997 2.501 ( 0.000 1.189 0.000) 1.189 2.624 ( 0.000 -3.753 0.000) 3.753 2.738 ( 0.000 0.472 0.000) 0.472 2.863 ( 0.000 0.548 0.000) 0.548 3.057 ( 0.000 5.784 0.000) 5.784 3.205 ( 0.000 -8.200 0.000) 8.200 3.373 ( 0.000 1.529 0.000) 1.529 3.468 ( 0.000 1.618 0.000) 1.618 3.504 ( 0.000 0.065 0.000) 0.065 3.530 ( 0.000 2.928 0.000) 2.928 3.581 ( 0.000 3.837 0.000) 3.837 4.076 ( 0.000 4.265 0.000) 4.265 4.084 ( 0.000 -3.423 0.000) 3.423 4.100 ( 0.000 4.296 0.000) 4.296 4.245 ( 0.000 3.109 0.000) 3.109 4.411 ( 0.000 -0.426 0.000) 0.426 4.542 ( 0.000 1.267 0.000) 1.267 4.653 ( 0.000 4.868 0.000) 4.868 4.954 ( 0.000 5.465 0.000) 5.465 5.056 ( 0.000 3.553 0.000) 3.553 5.243 ( 0.000 -12.327 0.000) 12.327 5.747 ( 0.000 1.487 0.000) 1.487 5.827 ( 0.000 -1.653 0.000) 1.653 6.086 ( 0.000 -1.307 0.000) 1.307 6.306 ( 0.000 3.018 0.000) 3.018 6.604 ( 0.000 5.013 0.000) 5.013 6.869 ( 0.000 0.338 0.000) 0.338 6.946 ( 0.000 0.689 0.000) 0.689 7.017 ( 0.000 1.875 0.000) 1.875 7.170 ( 0.000 -1.523 0.000) 1.523 7.233 ( 0.000 -5.435 0.000) 5.435 7.239 ( 0.000 2.608 0.000) 2.608 7.319 ( 0.000 -2.570 0.000) 2.570 7.493 ( 0.000 -3.603 0.000) 3.603 7.557 ( 0.000 -3.206 0.000) 3.206 7.740 ( 0.000 -13.316 0.000) 13.316 7.749 ( 0.000 -0.256 0.000) 0.256 8.130 ( 0.000 4.309 0.000) 4.309 8.170 ( 0.000 3.491 0.000) 3.491 10.816 ( 0.000 16.548 0.000) 16.548 11.799 ( 0.000 -3.322 0.000) 3.322 11.851 ( 0.000 -5.880 0.000) 5.880 12.056 ( 0.000 -7.539 0.000) 7.539 12.322 ( 0.000 5.827 0.000) 5.827 12.937 ( 0.000 8.816 0.000) 8.816 13.058 ( 0.000 9.237 0.000) 9.237 13.559 ( 0.000 -23.214 0.000) 23.214 14.770 ( 0.000 1.537 0.000) 1.537 14.843 ( 0.000 1.451 0.000) 1.451 15.365 ( 0.000 -2.591 0.000) 2.591 15.935 ( 0.000 7.203 0.000) 7.203 16.001 ( 0.000 -12.254 0.000) 12.254 16.158 ( 0.000 4.436 0.000) 4.436 16.171 ( 0.000 -5.458 0.000) 5.458 16.648 ( 0.000 -3.120 0.000) 3.120 ======================= Grid point 23 (14/110) ======================= q-point: ( 0.10 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 4.245 9.921 2.789) 11.145 0.799 ( 0.214 17.334 1.135) 17.372 1.034 ( 3.949 3.450 -4.391) 6.840 1.279 ( -0.286 9.068 -0.648) 9.096 1.417 ( 4.277 15.411 1.692) 16.082 1.488 ( 3.224 1.285 8.129) 8.838 1.773 ( 5.597 1.021 11.915) 13.203 1.904 ( -2.641 -3.411 -11.960) 12.714 2.137 ( -1.512 -5.385 -4.362) 7.093 2.247 ( -2.771 5.195 -5.488) 8.049 2.453 ( -1.940 1.263 -3.826) 4.472 2.522 ( 1.865 0.803 -1.089) 2.305 2.679 ( -3.036 -2.835 6.466) 7.685 2.705 ( 2.621 0.422 -0.573) 2.715 2.901 ( 2.586 -0.709 -1.248) 2.957 3.045 ( -2.142 2.699 -0.395) 3.468 3.080 ( -5.696 0.185 0.426) 5.715 3.324 ( -2.090 1.223 -3.948) 4.631 3.452 ( -0.302 0.814 -0.881) 1.237 3.516 ( -1.464 -0.816 -1.276) 2.107 3.594 ( 1.590 3.893 8.047) 9.079 3.664 ( 2.522 -2.289 7.990) 8.686 3.996 ( -3.141 -1.994 -3.798) 5.316 4.082 ( -1.148 5.640 2.959) 6.471 4.104 ( 0.042 3.282 0.376) 3.304 4.300 ( -1.166 0.640 -2.449) 2.787 4.426 ( 1.041 -1.438 9.086) 9.257 4.480 ( -5.329 1.378 0.541) 5.530 4.653 ( 0.328 5.202 -0.021) 5.213 4.973 ( -0.474 4.203 3.908) 5.758 5.030 ( -1.443 3.151 -0.103) 3.467 5.227 ( -3.371 -8.344 -4.679) 10.143 5.661 ( -1.056 -0.649 -0.657) 1.403 5.879 ( -1.582 -2.598 0.511) 3.084 6.094 ( 1.420 0.336 2.496) 2.891 6.289 ( -0.859 3.225 -1.483) 3.652 6.616 ( 0.221 5.207 1.118) 5.330 6.740 ( -8.174 4.482 -0.308) 9.327 6.957 ( -3.038 -1.988 -1.315) 3.862 6.998 ( 2.372 -4.354 -3.486) 6.061 7.175 ( 0.606 1.386 -1.976) 2.489 7.225 ( -0.686 -1.778 1.026) 2.164 7.285 ( 2.298 -2.124 2.103) 3.771 7.390 ( 3.156 -3.394 0.940) 4.730 7.552 ( 3.788 -4.003 1.331) 5.670 7.604 ( 5.690 -4.575 1.366) 7.428 7.689 ( -3.150 -9.724 -1.127) 10.284 7.770 ( 2.544 -0.928 -0.583) 2.770 8.135 ( 0.595 4.126 0.467) 4.195 8.224 ( 4.473 1.896 0.204) 4.862 10.805 ( -2.018 16.440 2.251) 16.716 11.518 ( -20.534 7.099 -5.903) 22.514 11.864 ( 1.361 -5.944 -1.349) 6.245 12.005 ( -2.615 -4.253 -3.208) 5.934 12.387 ( 3.032 -0.721 8.188) 8.761 12.852 ( -4.646 2.713 -7.859) 9.524 13.206 ( 9.235 10.047 5.195) 14.602 13.601 ( 2.190 -10.361 1.009) 10.638 14.618 ( -2.266 1.026 -6.146) 6.631 14.915 ( -0.659 1.111 2.117) 2.480 15.515 ( 8.937 -7.359 4.753) 12.515 15.746 ( -9.231 -3.000 -12.971) 16.201 16.014 ( -3.973 4.218 10.374) 11.882 16.155 ( -1.212 2.024 1.155) 2.627 16.191 ( 1.287 -4.863 -0.965) 5.122 16.625 ( -3.146 -8.677 0.917) 9.275 ======================= Grid point 24 (15/110) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 9.103 7.228 4.710) 12.542 0.937 ( 7.214 9.359 8.904) 14.796 1.096 ( 4.757 6.556 -2.839) 8.583 1.175 ( -0.782 5.699 -8.750) 10.472 1.576 ( 0.412 4.338 6.580) 7.892 1.595 ( 1.176 3.559 3.781) 5.325 1.821 ( 3.361 0.876 -4.332) 5.552 1.942 ( 1.666 1.456 3.677) 4.291 2.034 ( 2.816 0.229 -2.542) 3.801 2.192 ( -0.671 3.445 -6.431) 7.326 2.376 ( -2.229 2.848 -3.933) 5.343 2.527 ( 0.394 3.451 -2.451) 4.251 2.674 ( -1.493 2.760 4.988) 5.893 2.767 ( 1.002 -3.880 3.202) 5.129 2.908 ( 0.347 0.758 -3.970) 4.056 3.007 ( -1.922 -0.009 0.799) 2.082 3.045 ( -0.583 -0.814 4.407) 4.520 3.263 ( -1.498 1.418 -2.355) 3.131 3.416 ( -2.841 -0.368 -0.600) 2.927 3.484 ( -0.292 2.278 -1.082) 2.539 3.678 ( 0.460 1.560 5.129) 5.381 3.734 ( 0.313 -3.157 5.829) 6.636 3.942 ( -0.794 -0.231 -0.063) 0.830 4.049 ( -3.997 -1.928 -7.063) 8.341 4.093 ( -0.567 3.665 3.313) 4.973 4.241 ( 0.060 6.442 -2.080) 6.770 4.375 ( -5.738 3.107 1.797) 6.768 4.495 ( -2.803 0.299 6.753) 7.318 4.701 ( 2.023 0.749 7.098) 7.419 4.953 ( -3.551 3.570 -1.266) 5.192 4.973 ( -6.735 1.590 -10.444) 12.529 5.071 ( -2.444 0.237 1.152) 2.712 5.698 ( -0.335 -2.829 4.158) 5.041 5.831 ( 0.487 -3.316 -1.061) 3.515 6.125 ( -1.014 0.375 -0.151) 1.092 6.261 ( -1.942 2.551 0.524) 3.249 6.584 ( -5.465 4.961 -4.803) 8.806 6.629 ( -0.108 4.080 2.503) 4.787 6.925 ( 0.098 -4.744 -0.264) 4.752 6.983 ( -0.675 -6.773 -2.336) 7.196 7.167 ( -0.070 2.483 -1.147) 2.736 7.218 ( -1.018 -2.538 0.986) 2.907 7.337 ( 1.096 -2.087 2.633) 3.534 7.412 ( -0.953 -2.568 0.754) 2.841 7.548 ( -2.159 -3.402 -1.908) 4.458 7.674 ( 1.541 -5.528 1.278) 5.879 7.772 ( 7.869 -3.979 0.374) 8.826 7.843 ( 5.475 -4.065 -1.157) 6.916 8.166 ( 1.446 3.549 2.462) 4.555 8.308 ( 4.297 1.037 -1.062) 4.547 10.779 ( -2.885 16.108 3.150) 16.664 11.114 ( -14.976 14.119 -6.078) 21.461 11.860 ( -0.106 -3.598 -4.678) 5.902 11.945 ( -3.093 -5.240 3.585) 7.062 12.540 ( 3.719 -4.795 12.199) 13.625 12.683 ( -4.705 -3.492 -8.848) 10.612 13.414 ( 7.207 10.909 6.275) 14.503 13.598 ( 0.207 9.236 -6.882) 11.520 14.661 ( 4.354 -5.233 9.116) 11.377 14.853 ( -1.793 -0.607 -11.164) 11.324 15.441 ( -10.188 0.449 -11.198) 15.146 15.641 ( 0.180 -1.397 -0.301) 1.441 16.086 ( -0.561 -2.003 16.434) 16.565 16.125 ( -0.562 -0.576 -1.221) 1.463 16.191 ( 0.374 -5.417 -2.728) 6.077 16.542 ( -6.060 -12.006 1.290) 13.511 ======================= Grid point 25 (16/110) ======================= q-point: ( 0.30 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 12.791 2.789 8.569) 15.646 1.044 ( 2.761 6.806 -6.252) 9.645 1.138 ( 1.212 8.251 -1.939) 8.562 1.224 ( 4.773 2.995 6.641) 8.710 1.510 ( -3.817 3.297 -9.344) 10.619 1.593 ( 0.608 -0.697 1.361) 1.646 1.863 ( -1.210 3.180 -2.581) 4.270 2.017 ( 4.969 7.579 6.244) 11.005 2.114 ( 2.684 0.735 -3.475) 4.452 2.212 ( 5.753 2.227 5.888) 8.528 2.322 ( -0.862 2.696 -2.430) 3.731 2.499 ( -1.920 3.850 -1.261) 4.483 2.673 ( -1.064 1.440 0.933) 2.019 2.773 ( -2.387 -1.124 -2.997) 3.993 2.883 ( -0.364 0.194 1.320) 1.383 2.955 ( -2.301 2.087 1.059) 3.283 3.131 ( 4.591 -3.791 2.081) 6.307 3.227 ( -1.405 1.432 0.283) 2.026 3.363 ( -1.947 -0.453 -0.066) 2.001 3.478 ( -0.474 2.563 1.252) 2.892 3.662 ( -2.605 -1.527 -1.064) 3.202 3.797 ( 0.321 -1.319 1.812) 2.264 3.887 ( -2.632 -1.287 -5.165) 5.938 3.979 ( 1.152 4.027 2.700) 4.984 4.103 ( -1.258 -0.735 2.864) 3.213 4.227 ( -1.381 7.442 -1.691) 7.756 4.316 ( -2.635 4.955 3.511) 6.619 4.452 ( -3.510 3.101 -0.263) 4.691 4.677 ( -8.102 4.778 -10.667) 14.222 4.802 ( 0.312 -2.480 1.808) 3.084 4.908 ( -0.762 1.854 2.219) 2.991 5.072 ( -1.858 2.342 3.788) 4.825 5.694 ( 0.092 -1.721 0.253) 1.742 5.871 ( -0.370 -3.447 2.470) 4.257 6.058 ( -2.528 0.233 -4.442) 5.116 6.216 ( -2.667 0.646 0.862) 2.876 6.444 ( -4.912 1.990 -5.117) 7.367 6.681 ( 2.044 2.298 3.982) 5.031 6.907 ( -0.596 -4.851 -3.446) 5.981 6.989 ( 1.196 -5.618 3.622) 6.790 7.154 ( -0.919 -0.920 0.209) 1.317 7.204 ( -0.975 -0.481 0.911) 1.419 7.368 ( -0.620 -2.953 1.221) 3.256 7.384 ( -0.928 -1.020 0.379) 1.430 7.500 ( -0.920 -1.053 -2.719) 3.057 7.708 ( 0.540 -3.613 1.432) 3.923 7.902 ( 5.664 -3.330 0.218) 6.574 7.931 ( 4.823 -5.227 -1.989) 7.385 8.219 ( 1.406 3.063 2.997) 4.510 8.363 ( 2.662 1.687 -1.764) 3.612 10.748 ( -2.460 15.531 2.117) 15.867 10.867 ( -7.636 14.902 -2.964) 17.004 11.797 ( -2.015 -2.014 -4.421) 5.259 11.927 ( -2.640 -8.900 3.724) 10.003 12.517 ( -3.267 -3.472 -6.846) 8.342 12.759 ( 5.311 -3.275 15.131) 16.367 13.449 ( -2.246 12.386 -8.599) 15.245 13.652 ( 5.983 9.923 5.531) 12.839 14.680 ( -3.409 -2.625 -14.422) 15.050 14.869 ( 5.698 -4.262 12.183) 14.109 15.198 ( -5.896 3.677 -10.117) 12.273 15.585 ( -4.810 9.021 0.130) 10.224 16.057 ( -2.432 -5.621 -1.291) 6.259 16.170 ( -0.541 -4.810 -1.693) 5.128 16.240 ( 1.687 -13.840 6.564) 15.411 16.449 ( -4.612 -9.499 4.868) 11.628 ======================= Grid point 26 (17/110) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 4.287 3.790 -1.347) 5.878 1.079 ( 9.190 2.461 3.509) 10.140 1.120 ( -1.101 10.898 0.582) 10.969 1.301 ( -0.111 2.905 1.721) 3.379 1.385 ( -1.188 6.098 -6.352) 8.885 1.630 ( -1.662 1.409 -3.149) 3.829 1.787 ( 0.215 4.658 -0.937) 4.756 2.143 ( 3.139 6.141 5.277) 8.684 2.189 ( 3.390 -0.845 4.036) 5.339 2.294 ( 1.066 0.736 -3.029) 3.295 2.349 ( 1.841 4.021 1.854) 4.795 2.456 ( -1.168 0.911 1.639) 2.209 2.641 ( -3.526 0.771 -5.097) 6.246 2.661 ( -2.008 0.816 -1.676) 2.740 2.906 ( 0.277 -0.483 1.362) 1.472 2.952 ( 0.258 2.997 2.546) 3.941 3.156 ( -1.216 0.240 -2.959) 3.208 3.270 ( 3.637 -2.519 3.842) 5.860 3.350 ( 0.379 -0.277 0.345) 0.583 3.473 ( -2.242 0.406 2.521) 3.398 3.597 ( -2.957 0.611 -3.003) 4.259 3.724 ( -1.067 -1.544 -2.312) 2.978 3.914 ( 1.801 3.118 -0.505) 3.636 4.007 ( 0.517 7.966 -0.551) 8.002 4.085 ( -2.403 -1.404 1.492) 3.158 4.172 ( -2.354 2.552 -2.903) 4.526 4.289 ( -1.280 3.835 1.513) 4.317 4.417 ( -0.366 3.600 4.295) 5.616 4.534 ( -1.934 9.831 -2.325) 10.286 4.713 ( -3.824 0.047 -9.212) 9.974 5.004 ( 2.923 -3.519 7.585) 8.857 5.058 ( -1.432 1.563 2.857) 3.558 5.683 ( -2.737 -1.900 -2.946) 4.447 5.836 ( -0.169 0.183 0.346) 0.427 6.026 ( 0.208 -0.402 0.448) 0.637 6.170 ( -2.352 -1.179 -2.854) 3.882 6.335 ( -3.058 -0.756 -1.120) 3.343 6.732 ( 0.675 -4.251 1.075) 4.436 6.886 ( 0.175 1.864 -0.060) 1.873 7.054 ( 1.996 -3.672 3.556) 5.488 7.135 ( -1.297 -5.602 0.815) 5.808 7.205 ( 0.419 1.476 1.088) 1.881 7.315 ( -2.414 -2.518 -3.001) 4.602 7.408 ( 0.470 -1.070 2.732) 2.971 7.465 ( -0.452 -0.065 -2.959) 2.995 7.717 ( -0.177 -2.669 0.537) 2.728 7.982 ( 2.658 -8.879 -0.244) 9.271 8.000 ( 3.340 -0.472 -0.535) 3.415 8.255 ( 0.433 3.865 1.644) 4.223 8.387 ( 1.231 2.587 -1.287) 3.141 10.716 ( -1.571 14.439 -0.650) 14.539 10.763 ( -2.730 15.283 0.652) 15.539 11.729 ( -1.983 -4.219 -2.311) 5.203 11.902 ( -1.684 -10.139 1.002) 10.327 12.436 ( -1.223 -0.716 -2.885) 3.215 12.987 ( 5.548 4.479 13.866) 15.592 13.335 ( -2.352 13.046 -6.538) 14.781 13.753 ( 1.269 -4.824 -0.880) 5.065 14.560 ( -0.226 -0.064 -2.738) 2.748 14.921 ( -3.230 3.763 -9.366) 10.598 15.171 ( 4.656 2.735 8.775) 10.304 15.478 ( -5.530 9.620 -1.938) 11.265 16.021 ( 0.747 -8.288 -3.111) 8.884 16.148 ( -0.799 -4.325 -0.472) 4.424 16.218 ( -4.304 -8.752 0.497) 9.766 16.476 ( 0.615 -15.926 6.113) 17.070 ======================= Grid point 27 (18/110) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.000 4.014 -0.000) 4.014 1.111 ( 0.000 12.924 0.000) 12.924 1.232 ( 0.000 1.470 -0.000) 1.470 1.287 ( 0.000 8.531 0.000) 8.531 1.411 ( 0.000 -1.107 -0.000) 1.107 1.500 ( 0.000 5.829 0.000) 5.829 1.826 ( 0.000 4.310 -0.000) 4.310 2.213 ( 0.000 10.400 -0.000) 10.400 2.234 ( 0.000 -0.419 -0.000) 0.419 2.311 ( 0.000 -4.530 0.000) 4.530 2.338 ( 0.000 0.660 0.000) 0.660 2.445 ( 0.000 -0.671 0.000) 0.671 2.606 ( 0.000 1.529 0.000) 1.529 2.620 ( 0.000 2.696 -0.000) 2.696 2.911 ( 0.000 0.012 0.000) 0.012 2.974 ( 0.000 3.731 -0.000) 3.731 3.121 ( 0.000 0.104 0.000) 0.104 3.339 ( 0.000 -2.369 0.000) 2.369 3.364 ( 0.000 -3.136 -0.000) 3.136 3.454 ( 0.000 -0.172 0.000) 0.172 3.524 ( 0.000 2.116 0.000) 2.116 3.746 ( 0.000 1.305 -0.000) 1.305 3.883 ( 0.000 7.101 0.000) 7.101 4.037 ( 0.000 7.195 -0.000) 7.195 4.050 ( 0.000 -1.865 0.000) 1.865 4.132 ( 0.000 1.010 0.000) 1.010 4.287 ( 0.000 3.627 0.000) 3.627 4.483 ( 0.000 1.919 -0.000) 1.919 4.506 ( 0.000 9.829 0.000) 9.829 4.598 ( 0.000 2.297 -0.000) 2.297 5.032 ( 0.000 0.991 0.000) 0.991 5.101 ( 0.000 -6.030 0.000) 6.030 5.610 ( 0.000 1.021 -0.000) 1.021 5.865 ( 0.000 -1.620 0.000) 1.620 6.042 ( 0.000 0.446 0.000) 0.446 6.106 ( 0.000 -0.334 -0.000) 0.334 6.309 ( 0.000 -3.017 0.000) 3.017 6.737 ( 0.000 -7.549 0.000) 7.549 6.894 ( 0.000 5.563 -0.000) 5.563 7.093 ( 0.000 -1.090 0.000) 1.090 7.125 ( 0.000 -6.998 -0.000) 6.998 7.244 ( -0.000 -3.427 -0.000) 3.427 7.245 ( 0.000 0.927 0.000) 0.927 7.433 ( 0.000 -0.436 0.000) 0.436 7.440 ( 0.000 -0.513 -0.000) 0.513 7.717 ( 0.000 -2.324 0.000) 2.324 8.006 ( 0.000 -9.770 0.000) 9.770 8.031 ( 0.000 -0.215 0.000) 0.215 8.265 ( 0.000 4.574 0.000) 4.574 8.393 ( 0.000 2.953 -0.000) 2.953 10.695 ( 0.000 14.015 -0.000) 14.015 10.745 ( 0.000 15.487 -0.000) 15.487 11.698 ( 0.000 -5.798 -0.000) 5.798 11.888 ( 0.000 -10.088 0.000) 10.088 12.415 ( 0.000 0.721 -0.000) 0.721 13.117 ( 0.000 12.953 0.000) 12.953 13.283 ( 0.000 12.394 0.000) 12.394 13.733 ( 0.000 -18.272 -0.000) 18.272 14.588 ( 0.000 3.926 -0.000) 3.926 14.809 ( 0.000 4.761 0.000) 4.761 15.329 ( 0.000 7.727 0.000) 7.727 15.352 ( 0.000 5.223 -0.000) 5.223 16.024 ( 0.000 -9.402 -0.000) 9.402 16.135 ( 0.000 -5.921 -0.000) 5.921 16.169 ( -0.000 -3.325 0.000) 3.325 16.510 ( 0.000 -18.789 0.000) 18.789 ======================= Grid point 33 (19/110) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 0.000 11.983 0.000) 11.983 1.010 ( 0.000 -1.793 0.000) 1.793 1.245 ( 0.000 16.147 0.000) 16.147 1.452 ( 0.000 6.327 0.000) 6.327 1.489 ( 0.000 6.255 0.000) 6.255 1.689 ( 0.000 8.786 0.000) 8.786 1.707 ( 0.000 7.171 0.000) 7.171 1.932 ( 0.000 -0.783 0.000) 0.783 2.009 ( 0.000 -6.517 0.000) 6.517 2.404 ( 0.000 -6.995 0.000) 6.995 2.409 ( 0.000 2.697 0.000) 2.697 2.495 ( 0.000 -8.438 0.000) 8.438 2.541 ( 0.000 3.820 0.000) 3.820 2.764 ( 0.000 1.609 0.000) 1.609 2.872 ( 0.000 0.498 0.000) 0.498 3.001 ( 0.000 -8.133 0.000) 8.133 3.208 ( 0.000 5.852 0.000) 5.852 3.378 ( 0.000 -1.056 0.000) 1.056 3.480 ( 0.000 -1.078 0.000) 1.078 3.499 ( 0.000 0.896 0.000) 0.896 3.611 ( 0.000 4.749 0.000) 4.749 3.694 ( 0.000 5.152 0.000) 5.152 4.018 ( 0.000 -1.829 0.000) 1.829 4.108 ( 0.000 -0.258 0.000) 0.258 4.229 ( 0.000 6.319 0.000) 6.319 4.394 ( 0.000 8.961 0.000) 8.961 4.434 ( 0.000 3.946 0.000) 3.946 4.585 ( 0.000 2.861 0.000) 2.861 4.691 ( 0.000 -2.831 0.000) 2.831 4.998 ( 0.000 -3.411 0.000) 3.411 5.051 ( 0.000 -3.136 0.000) 3.136 5.114 ( 0.000 1.624 0.000) 1.624 5.787 ( 0.000 2.055 0.000) 2.055 5.792 ( 0.000 -0.582 0.000) 0.582 6.072 ( 0.000 0.243 0.000) 0.243 6.326 ( 0.000 -1.767 0.000) 1.767 6.695 ( 0.000 3.912 0.000) 3.912 6.866 ( 0.000 -0.790 0.000) 0.790 6.944 ( 0.000 -0.071 0.000) 0.071 7.100 ( 0.000 4.987 0.000) 4.987 7.122 ( 0.000 -2.110 0.000) 2.110 7.136 ( 0.000 -4.463 0.000) 4.463 7.224 ( 0.000 -1.075 0.000) 1.075 7.343 ( 0.000 0.390 0.000) 0.390 7.397 ( 0.000 -5.243 0.000) 5.243 7.483 ( 0.000 -3.936 0.000) 3.936 7.519 ( 0.000 -5.288 0.000) 5.288 7.730 ( 0.000 -1.845 0.000) 1.845 8.217 ( 0.000 3.787 0.000) 3.787 8.242 ( 0.000 3.085 0.000) 3.085 11.115 ( 0.000 12.209 0.000) 12.209 11.711 ( 0.000 -7.588 0.000) 7.588 11.738 ( 0.000 -2.260 0.000) 2.260 11.891 ( 0.000 -7.778 0.000) 7.778 12.456 ( 0.000 6.922 0.000) 6.922 13.050 ( 0.000 -12.625 0.000) 12.625 13.154 ( 0.000 11.312 0.000) 11.312 13.352 ( 0.000 5.007 0.000) 5.007 14.827 ( 0.000 4.364 0.000) 4.364 14.887 ( 0.000 2.800 0.000) 2.800 15.262 ( 0.000 -6.259 0.000) 6.259 15.673 ( 0.000 -17.741 0.000) 17.741 16.028 ( 0.000 2.141 0.000) 2.141 16.095 ( 0.000 -2.502 0.000) 2.502 16.270 ( 0.000 5.780 0.000) 5.780 16.577 ( 0.000 -3.835 0.000) 3.835 ======================= Grid point 34 (20/110) ======================= q-point: ( 0.10 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 4.110 11.599 4.934) 13.258 1.068 ( 5.092 -0.971 0.995) 5.278 1.148 ( -3.449 15.271 -5.272) 16.520 1.392 ( -1.770 3.816 -4.775) 6.364 1.556 ( 0.200 4.647 1.588) 4.915 1.689 ( 0.137 4.436 2.969) 5.340 1.837 ( 5.305 5.850 8.607) 11.681 1.884 ( 3.390 4.834 -6.208) 8.567 2.028 ( 0.193 -3.086 -1.252) 3.336 2.358 ( -0.171 3.242 -8.935) 9.507 2.443 ( -1.343 -3.504 1.965) 4.236 2.510 ( 2.434 -4.411 6.773) 8.441 2.530 ( 0.007 -3.703 -2.618) 4.535 2.775 ( 0.949 2.571 0.907) 2.887 2.873 ( 0.347 -1.557 -2.225) 2.738 2.975 ( -2.423 -4.029 0.648) 4.746 3.195 ( -2.248 5.942 2.255) 6.741 3.334 ( -2.863 -0.404 -2.190) 3.627 3.456 ( -1.830 0.210 0.612) 1.941 3.518 ( 1.115 0.549 -0.398) 1.305 3.638 ( 0.798 1.736 2.405) 3.071 3.708 ( 0.240 3.818 2.237) 4.431 3.950 ( -1.737 -1.563 -5.096) 5.606 4.106 ( -2.140 -2.625 -3.069) 4.571 4.228 ( -1.289 7.348 3.899) 8.418 4.408 ( 0.525 7.009 -3.549) 7.874 4.446 ( 1.204 4.750 6.328) 8.004 4.519 ( -4.823 1.691 0.640) 5.151 4.733 ( 1.271 1.498 2.660) 3.307 4.993 ( -0.195 -2.599 -1.433) 2.974 5.055 ( 0.393 -1.219 1.109) 1.694 5.122 ( -2.022 -0.578 2.539) 3.297 5.680 ( -2.528 2.211 -4.311) 5.464 5.825 ( -1.807 -2.070 -0.593) 2.811 6.108 ( 1.740 1.146 4.096) 4.595 6.320 ( -0.789 -0.844 0.028) 1.156 6.690 ( -0.813 2.436 0.154) 2.573 6.807 ( -5.545 1.456 1.519) 5.931 6.918 ( -3.845 -2.107 -0.015) 4.385 6.938 ( -4.473 -1.088 -8.424) 9.599 7.125 ( 0.321 -1.914 0.200) 1.952 7.228 ( 2.925 -1.516 2.081) 3.896 7.289 ( 2.437 3.074 -0.227) 3.929 7.338 ( 1.027 -2.449 1.256) 2.938 7.435 ( 1.165 -9.027 0.837) 9.140 7.491 ( 1.277 -2.519 1.698) 3.296 7.569 ( 5.737 -2.089 -0.786) 6.156 7.746 ( 2.276 -1.847 -1.153) 3.149 8.224 ( 0.717 4.007 0.227) 4.077 8.272 ( 2.857 2.248 0.165) 3.639 11.107 ( -1.938 12.514 2.613) 12.930 11.598 ( -10.455 2.028 -6.294) 12.371 11.725 ( 0.756 -7.322 1.304) 7.476 11.875 ( -2.206 -7.415 1.007) 7.801 12.419 ( -1.387 3.356 0.408) 3.654 12.810 ( -8.224 -6.661 -14.095) 17.626 13.383 ( 10.080 8.738 11.532) 17.634 13.582 ( 11.823 5.581 14.871) 19.801 14.669 ( -4.382 4.116 -11.242) 12.748 14.963 ( 0.213 3.694 -0.321) 3.714 15.313 ( 5.602 -11.563 -0.604) 12.863 15.557 ( -5.221 -12.824 -10.504) 17.379 16.036 ( -0.198 -0.207 2.181) 2.200 16.103 ( 0.613 -2.962 -1.144) 3.234 16.270 ( -4.948 5.597 8.231) 11.116 16.499 ( -7.340 -4.166 1.334) 8.545 ======================= Grid point 35 (21/110) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 5.426 12.542 5.846) 14.863 1.136 ( 3.730 8.872 3.658) 10.296 1.183 ( 5.303 2.173 -2.275) 6.166 1.314 ( -1.379 5.911 -3.938) 7.235 1.552 ( -0.454 -2.146 -0.704) 2.304 1.629 ( -3.018 -1.614 -5.268) 6.282 1.962 ( 2.924 9.092 0.730) 9.578 2.015 ( 3.455 4.737 3.849) 7.013 2.065 ( 7.757 4.555 6.105) 10.872 2.278 ( 0.282 4.310 -11.254) 12.055 2.408 ( -1.868 -0.219 -0.805) 2.045 2.511 ( 0.513 -4.396 -1.761) 4.764 2.646 ( 3.195 -4.795 8.506) 10.273 2.798 ( -0.481 5.774 -0.328) 5.804 2.853 ( 1.309 -6.473 -3.159) 7.321 2.943 ( -1.008 -0.728 0.800) 1.479 3.146 ( -4.499 5.749 1.562) 7.465 3.272 ( -2.523 -0.803 0.552) 2.705 3.414 ( -2.559 0.795 -0.423) 2.713 3.533 ( 0.558 1.627 -0.592) 1.819 3.649 ( -1.704 -1.821 3.004) 3.904 3.731 ( 0.059 -0.071 1.610) 1.613 3.921 ( 1.064 -0.751 -0.412) 1.366 3.988 ( -4.064 -2.887 -6.967) 8.566 4.227 ( -1.536 7.785 1.762) 8.128 4.414 ( 1.405 7.326 -0.147) 7.461 4.435 ( -4.613 2.813 1.804) 5.696 4.512 ( -0.509 2.356 5.610) 6.106 4.767 ( 1.083 4.082 0.692) 4.280 4.961 ( -1.070 0.288 -5.748) 5.854 5.023 ( -5.673 0.851 -2.875) 6.417 5.088 ( -0.876 0.557 4.673) 4.787 5.662 ( -0.234 -0.402 3.934) 3.962 5.762 ( -1.384 -3.025 -2.715) 4.294 6.149 ( -1.329 1.740 1.886) 2.890 6.291 ( -2.363 -0.014 0.030) 2.363 6.634 ( -4.893 0.967 -4.901) 6.993 6.709 ( -3.619 2.875 1.209) 4.778 6.826 ( -1.884 -5.037 -2.232) 5.822 6.862 ( -2.264 -4.449 1.130) 5.119 7.126 ( -0.059 -1.518 -0.785) 1.710 7.290 ( 1.417 1.620 0.403) 2.190 7.293 ( -0.045 1.484 1.740) 2.288 7.366 ( -0.223 -2.020 0.021) 2.032 7.439 ( 1.021 -7.140 -1.313) 7.331 7.562 ( 2.057 -3.493 4.099) 5.764 7.690 ( 6.650 -2.650 -1.348) 7.285 7.804 ( 4.764 -1.841 -1.080) 5.220 8.252 ( 1.719 4.181 1.091) 4.650 8.338 ( 4.055 1.389 -0.923) 4.384 11.086 ( -2.928 13.243 3.983) 14.135 11.327 ( -10.788 7.541 -6.784) 14.808 11.751 ( 0.884 -6.461 0.722) 6.561 11.816 ( -4.651 -7.357 0.038) 8.704 12.461 ( 2.027 -2.564 8.574) 9.176 12.583 ( -5.234 -5.389 -9.185) 11.866 13.656 ( 8.723 13.074 9.033) 18.128 13.864 ( 7.007 13.650 2.676) 15.575 14.579 ( 1.449 -2.389 2.803) 3.957 14.851 ( -3.922 0.030 -17.061) 17.506 15.345 ( -3.244 -8.721 -7.663) 12.054 15.485 ( 5.875 -11.965 1.067) 13.372 16.040 ( -3.574 -1.786 4.921) 6.338 16.095 ( -0.225 -3.352 -1.256) 3.587 16.162 ( -9.075 3.428 2.087) 9.923 16.386 ( -7.256 -4.175 5.634) 10.090 ======================= Grid point 36 (22/110) ======================= q-point: ( 0.30 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 8.862 9.628 8.059) 15.368 1.171 ( 0.715 5.762 -9.228) 10.902 1.286 ( 4.912 5.277 6.180) 9.496 1.321 ( 1.155 5.155 0.745) 5.335 1.544 ( -0.854 -0.384 -4.149) 4.253 1.578 ( 2.137 -1.308 5.633) 6.165 1.961 ( 0.191 6.818 -5.847) 8.984 2.123 ( 2.512 4.382 1.928) 5.406 2.200 ( 2.773 5.397 -4.338) 7.459 2.293 ( 7.153 4.777 5.673) 10.304 2.364 ( -1.089 0.990 -3.235) 3.554 2.519 ( 0.171 -2.739 0.824) 2.865 2.710 ( -1.138 -4.221 -1.033) 4.492 2.741 ( -3.210 5.787 -1.053) 6.701 2.864 ( 1.299 -2.574 -1.167) 3.110 2.961 ( 0.769 -1.490 1.743) 2.418 3.100 ( -0.203 1.812 2.247) 2.893 3.243 ( -1.819 -0.663 1.944) 2.743 3.366 ( -1.590 1.052 -0.612) 2.002 3.519 ( -2.185 0.883 0.427) 2.395 3.626 ( -1.849 -1.843 0.838) 2.741 3.721 ( -1.886 -4.788 -0.515) 5.172 3.900 ( 0.297 1.470 -1.332) 2.006 3.981 ( 1.744 -1.492 4.708) 5.238 4.196 ( -1.587 7.138 -1.318) 7.430 4.373 ( -3.459 2.280 1.867) 4.544 4.414 ( -1.748 7.250 -4.393) 8.656 4.510 ( -1.441 2.318 1.484) 3.107 4.761 ( -1.794 4.771 -2.925) 5.877 4.845 ( -2.399 5.010 -5.257) 7.648 4.957 ( -0.731 2.238 -0.223) 2.365 5.099 ( -1.645 -0.009 3.359) 3.740 5.664 ( -0.821 -0.829 1.181) 1.660 5.786 ( 0.949 -4.240 5.581) 7.073 6.085 ( -3.599 2.108 -3.510) 5.451 6.223 ( -4.368 -0.453 -0.487) 4.418 6.476 ( -5.471 1.339 -6.692) 8.747 6.668 ( -2.019 -2.705 -1.458) 3.677 6.808 ( 0.211 -4.182 3.534) 5.479 6.884 ( 0.499 -4.877 6.838) 8.414 7.111 ( -0.189 -0.717 -2.068) 2.197 7.282 ( -0.899 4.435 -0.105) 4.526 7.315 ( -0.075 -1.707 -1.157) 2.064 7.358 ( 0.431 -0.929 0.570) 1.172 7.450 ( 0.626 -3.875 -0.918) 4.031 7.616 ( 0.519 -4.274 3.388) 5.478 7.779 ( 4.122 -3.975 -1.823) 6.010 7.896 ( 4.924 -2.048 -0.101) 5.334 8.302 ( 2.342 4.249 1.100) 4.975 8.400 ( 3.375 1.488 -1.633) 4.034 11.054 ( -3.333 13.076 1.399) 13.567 11.126 ( -5.768 10.997 -1.429) 12.500 11.699 ( -5.975 -8.014 -2.753) 10.368 11.766 ( 0.338 -5.729 -0.346) 5.750 12.458 ( -2.101 -2.025 -2.648) 3.941 12.644 ( 5.487 -6.947 17.047) 19.209 13.744 ( -0.935 15.582 -10.680) 18.914 13.926 ( 2.770 15.130 -3.476) 15.769 14.619 ( -4.053 -3.498 -13.602) 14.618 14.791 ( 9.352 -3.770 16.637) 19.454 15.210 ( -3.317 -2.087 -9.454) 10.234 15.622 ( 6.117 -11.103 1.535) 12.769 15.901 ( -12.667 0.447 5.334) 13.752 16.081 ( -0.497 -2.995 -0.667) 3.108 16.096 ( 0.131 -2.939 -1.083) 3.135 16.282 ( -7.976 -6.656 4.271) 11.232 ======================= Grid point 37 (23/110) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 0.973 5.101 -2.661) 5.835 1.146 ( 8.163 3.605 3.888) 9.734 1.327 ( -0.281 7.004 1.732) 7.221 1.382 ( 1.753 4.451 1.942) 5.163 1.524 ( 0.592 6.421 0.046) 6.448 1.708 ( 2.684 5.278 4.563) 7.476 1.888 ( -0.646 4.770 -4.607) 6.663 2.147 ( 2.751 0.564 -2.463) 3.735 2.271 ( 2.065 3.067 4.268) 5.646 2.314 ( -0.478 1.027 -4.760) 4.892 2.430 ( 2.269 -0.654 0.468) 2.407 2.493 ( -3.123 4.541 -1.118) 5.623 2.647 ( -1.035 0.257 -2.350) 2.581 2.685 ( -0.801 3.041 -0.915) 3.275 2.889 ( 0.264 -1.094 1.634) 1.984 2.992 ( 1.269 1.105 2.660) 3.147 3.126 ( 0.523 -2.707 -2.554) 3.758 3.241 ( 0.049 -1.324 3.703) 3.933 3.353 ( -0.083 0.761 -0.218) 0.796 3.456 ( -3.268 -1.712 0.101) 3.690 3.611 ( -2.090 0.259 -0.016) 2.106 3.695 ( 1.305 -1.432 1.995) 2.781 3.939 ( 1.830 -0.506 2.168) 2.882 4.030 ( -1.302 -2.271 3.304) 4.215 4.171 ( 0.990 6.205 -1.898) 6.564 4.268 ( -4.674 3.655 -8.584) 10.435 4.337 ( -1.897 3.755 0.960) 4.315 4.520 ( -0.116 4.709 4.265) 6.355 4.693 ( -2.363 4.245 -5.468) 7.315 4.774 ( -1.214 6.684 -3.656) 7.715 4.982 ( 1.557 0.919 2.787) 3.322 5.082 ( -1.349 0.753 0.187) 1.556 5.670 ( -0.954 0.516 2.845) 3.045 5.818 ( -0.806 -2.048 1.795) 2.840 6.018 ( -0.125 -0.030 -1.281) 1.288 6.137 ( -3.646 -2.061 -1.640) 4.498 6.342 ( -3.730 1.618 -3.787) 5.556 6.617 ( -1.374 -5.758 -2.035) 6.260 6.861 ( 1.044 -2.942 4.397) 5.393 6.961 ( 0.563 -5.438 7.782) 9.511 7.099 ( 1.202 0.321 -1.841) 2.222 7.237 ( -2.045 -0.148 -4.248) 4.717 7.300 ( -0.205 3.117 -0.566) 3.175 7.386 ( 0.906 -0.922 2.035) 2.411 7.444 ( -0.248 -2.160 -1.384) 2.577 7.638 ( -0.103 -4.500 1.580) 4.770 7.825 ( 1.976 -4.686 -1.001) 5.184 7.973 ( 2.809 -2.510 0.307) 3.779 8.347 ( 1.545 4.432 0.477) 4.717 8.438 ( 1.848 1.998 -1.254) 2.997 10.982 ( -2.373 10.523 -1.820) 10.940 11.082 ( -1.604 15.608 3.145) 16.003 11.568 ( -4.453 -9.555 -3.181) 11.011 11.765 ( 0.123 -4.600 -0.664) 4.649 12.433 ( -0.381 0.754 0.804) 1.166 12.937 ( 8.218 -9.752 22.602) 25.952 13.589 ( -3.568 12.171 -12.175) 17.581 13.796 ( -5.799 7.309 -20.245) 22.292 14.589 ( 2.947 3.282 6.571) 7.914 15.014 ( -1.198 5.579 -6.096) 8.350 15.166 ( 7.950 -4.155 10.931) 14.140 15.671 ( -7.089 8.620 -2.619) 11.464 15.766 ( 1.978 -15.091 1.407) 15.285 16.045 ( -3.404 -5.040 -0.179) 6.084 16.098 ( 0.041 -4.145 0.544) 4.181 16.176 ( -4.317 -10.991 1.161) 11.865 ======================= Grid point 38 (24/110) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 0.000 3.773 -0.000) 3.773 1.254 ( 0.000 0.380 -0.000) 0.380 1.338 ( 0.000 8.457 0.000) 8.457 1.414 ( 0.000 1.461 -0.000) 1.461 1.563 ( 0.000 15.360 0.000) 15.360 1.665 ( 0.000 9.111 0.000) 9.111 1.921 ( 0.000 4.013 0.000) 4.013 2.209 ( 0.000 -4.376 -0.000) 4.376 2.224 ( 0.000 -1.806 0.000) 1.806 2.339 ( 0.000 -0.905 0.000) 0.905 2.419 ( 0.000 8.861 -0.000) 8.861 2.437 ( 0.000 -0.094 0.000) 0.094 2.665 ( 0.000 1.696 0.000) 1.696 2.667 ( -0.000 5.067 -0.000) 5.067 2.895 ( 0.000 -1.503 -0.000) 1.503 3.035 ( 0.000 2.431 -0.000) 2.431 3.094 ( 0.000 -3.012 0.000) 3.012 3.279 ( 0.000 -3.513 0.000) 3.513 3.329 ( 0.000 -0.173 -0.000) 0.173 3.439 ( 0.000 -1.301 0.000) 1.301 3.571 ( 0.000 2.374 -0.000) 2.374 3.748 ( 0.000 -1.354 0.000) 1.354 3.982 ( -0.000 1.809 -0.000) 1.809 3.988 ( 0.000 -3.482 0.000) 3.482 4.174 ( -0.000 2.684 0.000) 2.684 4.195 ( 0.000 6.010 -0.000) 6.010 4.323 ( 0.000 2.247 -0.000) 2.247 4.579 ( 0.000 0.005 0.000) 0.005 4.590 ( 0.000 7.690 -0.000) 7.690 4.755 ( 0.000 8.526 0.000) 8.526 5.019 ( 0.000 -1.399 0.000) 1.399 5.064 ( 0.000 1.867 0.000) 1.867 5.664 ( 0.000 3.606 -0.000) 3.606 5.817 ( 0.000 -2.674 0.000) 2.674 6.039 ( 0.000 -0.768 0.000) 0.768 6.072 ( -0.000 -3.132 -0.000) 3.132 6.290 ( 0.000 1.671 0.000) 1.671 6.595 ( 0.000 -6.364 0.000) 6.364 6.893 ( 0.000 -2.644 -0.000) 2.644 6.995 ( 0.000 -5.224 -0.000) 5.224 7.150 ( -0.000 3.160 -0.000) 3.160 7.155 ( 0.000 -4.140 0.000) 4.140 7.297 ( 0.000 4.183 0.000) 4.183 7.414 ( 0.000 -1.442 -0.000) 1.442 7.425 ( 0.000 -1.162 0.000) 1.162 7.642 ( 0.000 -4.502 -0.000) 4.502 7.839 ( 0.000 -4.975 0.000) 4.975 8.002 ( 0.000 -2.716 0.000) 2.716 8.364 ( 0.000 4.566 0.000) 4.566 8.451 ( 0.000 2.236 -0.000) 2.236 10.953 ( 0.000 10.307 -0.000) 10.307 11.082 ( 0.000 16.939 0.000) 16.939 11.508 ( 0.000 -10.407 -0.000) 10.407 11.763 ( 0.000 -4.234 0.000) 4.234 12.436 ( 0.000 1.894 -0.000) 1.894 13.216 ( 0.000 -19.516 0.000) 19.516 13.427 ( 0.000 15.381 -0.000) 15.381 13.609 ( 0.000 7.431 0.000) 7.431 14.691 ( 0.000 6.350 -0.000) 6.350 14.917 ( 0.000 5.486 0.000) 5.486 15.445 ( 0.000 2.638 0.000) 2.638 15.448 ( -0.000 2.641 -0.000) 2.641 15.823 ( 0.000 -8.531 0.000) 8.531 15.987 ( 0.000 -10.035 0.000) 10.035 16.101 ( 0.000 -3.141 -0.000) 3.141 16.144 ( 0.000 -12.439 -0.000) 12.439 ======================= Grid point 44 (25/110) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 0.000 10.358 0.000) 10.358 0.926 ( 0.000 -6.413 0.000) 6.413 1.467 ( 0.000 6.100 0.000) 6.100 1.521 ( 0.000 0.897 0.000) 0.897 1.659 ( 0.000 5.907 0.000) 5.907 1.722 ( 0.000 -2.580 0.000) 2.580 1.877 ( 0.000 8.377 0.000) 8.377 1.972 ( 0.000 6.066 0.000) 6.066 1.987 ( 0.000 0.269 0.000) 0.269 2.208 ( 0.000 -12.411 0.000) 12.411 2.346 ( 0.000 -2.287 0.000) 2.287 2.387 ( 0.000 -3.346 0.000) 3.346 2.658 ( 0.000 5.973 0.000) 5.973 2.760 ( 0.000 -3.163 0.000) 3.163 2.884 ( 0.000 0.490 0.000) 0.490 2.894 ( 0.000 -1.473 0.000) 1.473 3.293 ( 0.000 2.375 0.000) 2.375 3.338 ( 0.000 -2.312 0.000) 2.312 3.484 ( 0.000 1.276 0.000) 1.276 3.504 ( 0.000 -0.357 0.000) 0.357 3.704 ( 0.000 3.690 0.000) 3.690 3.749 ( 0.000 -0.188 0.000) 0.188 4.034 ( 0.000 2.969 0.000) 2.969 4.089 ( 0.000 -1.688 0.000) 1.688 4.332 ( 0.000 5.139 0.000) 5.139 4.471 ( 0.000 -5.573 0.000) 5.573 4.563 ( 0.000 5.190 0.000) 5.190 4.600 ( 0.000 -0.550 0.000) 0.550 4.684 ( 0.000 7.951 0.000) 7.951 4.880 ( 0.000 -8.630 0.000) 8.630 5.050 ( 0.000 2.598 0.000) 2.598 5.110 ( 0.000 -2.045 0.000) 2.045 5.810 ( 0.000 1.421 0.000) 1.421 5.819 ( 0.000 0.739 0.000) 0.739 6.113 ( 0.000 4.105 0.000) 4.105 6.233 ( 0.000 -6.344 0.000) 6.344 6.774 ( 0.000 3.594 0.000) 3.594 6.835 ( 0.000 -2.170 0.000) 2.170 6.963 ( 0.000 2.188 0.000) 2.188 7.037 ( 0.000 -4.603 0.000) 4.603 7.119 ( 0.000 2.026 0.000) 2.026 7.191 ( 0.000 1.942 0.000) 1.942 7.200 ( 0.000 -2.070 0.000) 2.070 7.287 ( 0.000 -5.082 0.000) 5.082 7.307 ( 0.000 2.179 0.000) 2.179 7.394 ( 0.000 -4.637 0.000) 4.637 7.561 ( 0.000 5.386 0.000) 5.386 7.667 ( 0.000 -4.256 0.000) 4.256 8.277 ( 0.000 1.777 0.000) 1.777 8.286 ( 0.000 0.934 0.000) 0.934 11.338 ( 0.000 9.762 0.000) 9.762 11.535 ( 0.000 -9.215 0.000) 9.215 11.716 ( 0.000 0.406 0.000) 0.406 11.762 ( 0.000 -4.203 0.000) 4.203 12.610 ( 0.000 8.025 0.000) 8.025 12.799 ( 0.000 -10.435 0.000) 10.435 13.364 ( 0.000 7.827 0.000) 7.827 13.441 ( 0.000 0.901 0.000) 0.901 14.957 ( 0.000 6.808 0.000) 6.808 14.959 ( 0.000 3.836 0.000) 3.836 15.147 ( 0.000 -2.642 0.000) 2.642 15.314 ( 0.000 -15.587 0.000) 15.587 16.049 ( 0.000 0.406 0.000) 0.406 16.060 ( 0.000 -0.919 0.000) 0.919 16.385 ( 0.000 5.251 0.000) 5.251 16.488 ( 0.000 -4.637 0.000) 4.637 ======================= Grid point 45 (26/110) ======================= q-point: ( 0.10 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 4.092 10.162 4.858) 11.984 0.986 ( 4.444 -6.605 3.945) 8.885 1.402 ( -3.557 8.623 -7.141) 11.747 1.465 ( -0.811 2.339 -4.734) 5.342 1.613 ( -2.844 0.399 -6.547) 7.149 1.657 ( -2.556 -3.798 -4.542) 6.449 1.974 ( 5.184 6.526 6.030) 10.287 2.033 ( 3.983 9.098 6.201) 11.709 2.056 ( 3.913 1.404 2.956) 5.101 2.270 ( 4.055 -11.793 3.928) 13.075 2.351 ( 1.031 -1.962 -1.148) 2.496 2.382 ( 0.310 -2.609 -2.111) 3.370 2.610 ( -1.706 5.767 -4.203) 7.337 2.731 ( -0.874 -5.442 -3.944) 6.778 2.892 ( 0.243 2.578 2.741) 3.771 2.931 ( 0.667 -1.165 3.113) 3.390 3.273 ( -2.695 1.906 1.673) 3.700 3.309 ( -2.900 -1.759 -0.055) 3.392 3.484 ( -0.481 2.187 1.100) 2.495 3.517 ( 0.819 -0.745 0.655) 1.287 3.695 ( -0.954 3.208 -1.457) 3.650 3.743 ( -0.858 -0.747 -0.457) 1.226 3.962 ( -2.088 2.695 -5.874) 6.792 4.035 ( -3.036 -3.829 -5.748) 7.545 4.359 ( -0.010 5.875 4.484) 7.391 4.483 ( -0.938 -4.872 2.044) 5.366 4.536 ( -1.469 5.014 -0.374) 5.238 4.564 ( -1.338 2.314 0.441) 2.709 4.772 ( 3.193 5.035 6.409) 8.753 4.914 ( 1.513 -6.528 3.549) 7.582 5.046 ( -0.102 2.294 -0.670) 2.392 5.105 ( -0.738 -2.094 -0.030) 2.220 5.741 ( -2.747 3.122 -4.816) 6.363 5.791 ( -2.478 -1.668 -3.148) 4.340 6.154 ( 1.272 3.577 5.018) 6.292 6.251 ( -0.013 -5.040 3.329) 6.040 6.743 ( -2.222 2.839 -1.880) 4.066 6.797 ( -3.654 -1.966 0.919) 4.250 6.895 ( -5.007 0.110 -2.346) 5.530 6.915 ( -7.034 -1.371 -5.829) 9.238 7.132 ( 1.097 2.625 -0.511) 2.891 7.225 ( 2.349 -2.256 1.267) 3.495 7.237 ( 1.715 -2.428 0.073) 2.973 7.295 ( 0.787 -3.944 0.317) 4.034 7.362 ( 3.234 3.402 2.368) 5.257 7.438 ( 2.459 -3.422 3.022) 5.186 7.595 ( 4.115 4.040 -1.297) 5.911 7.685 ( 2.618 -3.928 -1.281) 4.891 8.289 ( 1.126 1.972 0.192) 2.279 8.303 ( 1.780 0.543 0.190) 1.870 11.338 ( -1.176 10.209 2.677) 10.619 11.540 ( -0.517 -8.999 0.686) 9.040 11.655 ( -4.616 2.452 -1.985) 5.591 11.736 ( -2.433 -5.411 -0.874) 5.997 12.513 ( -4.475 5.643 -5.468) 9.043 12.651 ( -6.520 -7.502 -10.532) 14.481 13.574 ( 11.015 8.072 15.893) 20.954 13.663 ( 12.024 0.196 17.709) 21.406 14.809 ( -4.165 9.645 -12.556) 16.371 15.051 ( -2.137 -11.825 -12.180) 17.110 15.080 ( 2.430 6.493 2.204) 7.275 15.285 ( -0.264 -12.176 -4.853) 13.110 16.037 ( -0.952 0.388 0.179) 1.043 16.056 ( -0.519 -1.560 -0.269) 1.666 16.364 ( -5.412 3.584 5.858) 8.744 16.429 ( -6.788 -2.970 3.151) 8.052 ======================= Grid point 46 (27/110) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 5.942 10.614 6.950) 14.009 1.134 ( 6.194 -5.765 5.355) 10.014 1.319 ( 0.361 7.643 -2.014) 7.912 1.413 ( -0.493 1.881 -4.567) 4.964 1.504 ( -2.042 -1.069 -5.628) 6.081 1.568 ( -1.880 -4.051 -6.543) 7.922 2.117 ( 4.287 5.272 4.761) 8.297 2.131 ( 3.154 5.721 2.817) 7.114 2.207 ( 6.836 7.059 5.352) 11.189 2.333 ( 1.193 -1.051 -6.594) 6.783 2.366 ( 1.150 -2.631 -0.589) 2.932 2.382 ( 1.531 -6.178 -1.061) 6.452 2.596 ( 2.209 1.210 2.326) 3.428 2.694 ( 0.958 -7.168 -3.562) 8.062 2.912 ( -0.622 4.034 1.963) 4.529 2.950 ( -0.297 0.209 1.164) 1.220 3.220 ( -4.421 1.277 1.723) 4.914 3.242 ( -3.761 -1.471 0.996) 4.160 3.470 ( -1.972 4.254 0.112) 4.690 3.536 ( 0.006 -1.432 1.112) 1.813 3.638 ( -2.810 0.866 -1.324) 3.225 3.689 ( -3.233 -3.365 -3.384) 5.765 3.926 ( 0.778 0.894 -0.204) 1.203 3.948 ( -1.274 -1.186 -3.022) 3.487 4.365 ( -1.991 5.173 1.053) 5.642 4.442 ( -3.161 -1.666 -0.537) 3.613 4.535 ( 0.064 3.548 2.424) 4.298 4.564 ( -0.126 1.072 0.975) 1.454 4.863 ( 1.934 5.454 3.218) 6.621 4.967 ( 0.973 -3.272 2.301) 4.117 5.022 ( -1.995 2.441 -2.156) 3.820 5.078 ( -1.341 -1.776 -0.381) 2.257 5.676 ( -1.605 1.427 0.392) 2.183 5.711 ( -2.374 -1.932 -2.368) 3.870 6.195 ( -1.497 2.716 3.187) 4.447 6.257 ( -2.171 -2.904 2.033) 4.157 6.660 ( -3.870 2.016 -6.147) 7.538 6.724 ( -4.146 -3.907 -6.726) 8.814 6.754 ( -4.726 1.385 3.561) 6.077 6.792 ( -4.160 -2.410 2.516) 5.426 7.141 ( 0.491 3.073 -0.932) 3.248 7.248 ( 0.522 -6.209 -1.110) 6.329 7.291 ( 2.404 -0.093 1.880) 3.053 7.317 ( 0.835 -1.642 0.879) 2.041 7.421 ( 1.691 4.146 0.380) 4.493 7.502 ( 1.393 -3.273 2.962) 4.628 7.682 ( 5.392 2.099 -1.281) 5.926 7.748 ( 4.722 -3.407 -0.955) 5.901 8.324 ( 2.361 2.510 0.346) 3.464 8.352 ( 3.273 -0.235 -0.359) 3.301 11.332 ( -2.469 10.459 4.214) 11.543 11.447 ( -6.838 2.741 -4.237) 8.499 11.612 ( 0.077 -5.363 1.937) 5.703 11.657 ( -4.135 -6.918 -2.925) 8.574 12.440 ( -1.056 0.647 1.976) 2.332 12.486 ( -3.656 -3.613 -4.397) 6.764 13.927 ( 11.517 11.478 14.530) 21.806 14.051 ( 12.336 1.614 14.593) 19.176 14.608 ( -4.679 6.801 -12.355) 14.859 14.799 ( -6.469 -7.221 -22.704) 24.687 15.176 ( 3.059 -3.323 1.832) 4.874 15.253 ( 1.324 -8.814 -3.205) 9.471 16.022 ( -1.484 0.030 1.696) 2.254 16.041 ( -0.724 -1.796 0.058) 1.937 16.244 ( -10.264 3.981 3.548) 11.567 16.318 ( -8.777 -3.123 5.332) 10.734 ======================= Grid point 47 (28/110) ======================= q-point: ( 0.30 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 4.840 9.290 4.698) 11.480 1.236 ( 1.736 -1.407 -2.490) 3.346 1.384 ( 2.707 3.097 0.151) 4.116 1.400 ( 2.658 4.052 1.755) 5.154 1.503 ( 1.860 -2.688 1.104) 3.450 1.530 ( 4.086 -2.966 4.929) 7.056 2.142 ( -0.398 9.538 -4.997) 10.775 2.230 ( 2.455 4.794 -0.335) 5.396 2.288 ( 1.372 2.713 -3.668) 4.764 2.327 ( 1.735 -3.240 -1.036) 3.818 2.365 ( 1.400 -0.306 -5.441) 5.627 2.419 ( 2.934 -5.497 3.296) 7.049 2.661 ( 2.500 1.642 1.131) 3.198 2.760 ( 5.277 -6.060 2.927) 8.552 2.882 ( -2.750 5.936 -1.438) 6.698 2.950 ( -0.325 -0.565 0.576) 0.870 3.146 ( -3.681 1.928 0.972) 4.268 3.198 ( -2.465 -3.033 2.528) 4.655 3.419 ( -2.198 4.010 -1.136) 4.712 3.502 ( -3.754 -2.820 -1.550) 4.944 3.600 ( -1.263 -0.264 2.100) 2.465 3.628 ( -1.254 -3.275 1.820) 3.951 3.931 ( 0.016 1.627 0.721) 1.780 3.962 ( 1.121 -0.967 2.486) 2.894 4.312 ( -2.378 3.815 -2.618) 5.202 4.369 ( -3.056 -1.645 -3.156) 4.691 4.542 ( -1.983 3.686 -1.804) 4.558 4.558 ( -0.266 1.828 2.551) 3.150 4.870 ( -1.494 4.668 -3.679) 6.128 4.923 ( -3.108 0.478 -4.108) 5.173 5.004 ( 1.243 3.202 0.058) 3.436 5.071 ( -0.066 -2.561 1.623) 3.033 5.666 ( -0.821 1.115 3.167) 3.457 5.709 ( 0.258 -2.973 5.439) 6.204 6.137 ( -4.241 2.714 -2.410) 5.582 6.192 ( -4.623 -2.364 -1.451) 5.391 6.515 ( -4.752 2.705 -6.610) 8.579 6.590 ( -3.923 -4.280 -5.380) 7.915 6.762 ( -0.312 -0.113 7.246) 7.253 6.796 ( -0.554 -3.166 7.961) 8.586 7.136 ( 0.158 3.247 -2.046) 3.841 7.236 ( -0.083 -5.419 -3.087) 6.237 7.331 ( 0.586 0.315 1.286) 1.448 7.348 ( 1.425 -1.381 1.119) 2.278 7.439 ( 0.503 4.334 -0.573) 4.400 7.534 ( 0.168 -4.214 1.625) 4.520 7.762 ( 3.776 2.169 -0.795) 4.427 7.834 ( 4.219 -3.775 0.002) 5.661 8.378 ( 2.906 2.794 0.007) 4.032 8.412 ( 3.347 -0.484 -0.949) 3.513 11.270 ( -5.480 8.202 -2.357) 10.142 11.335 ( -3.147 6.289 3.830) 8.008 11.545 ( -3.952 -3.810 -4.705) 7.230 11.634 ( 0.527 -7.447 1.029) 7.536 12.444 ( -0.429 1.013 3.244) 3.425 12.509 ( 2.548 -5.240 10.710) 12.192 14.063 ( -2.203 13.675 -16.395) 21.463 14.186 ( 0.069 5.638 -14.121) 15.205 14.557 ( 0.398 0.083 0.340) 0.530 14.678 ( 8.655 -7.631 15.342) 19.197 15.180 ( 0.135 1.535 -4.166) 4.441 15.326 ( 4.552 -12.361 3.471) 13.622 15.991 ( -5.689 4.041 4.073) 8.080 16.035 ( -0.102 -1.503 0.195) 1.519 16.076 ( -6.171 1.527 -2.115) 6.700 16.160 ( -10.657 -5.299 1.994) 12.068 ======================= Grid point 48 (29/110) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 1.519 2.635 -3.743) 4.823 1.218 ( 1.334 2.117 0.760) 2.615 1.411 ( 1.499 2.909 1.800) 3.735 1.449 ( 1.287 0.393 -0.230) 1.365 1.649 ( 6.428 5.817 11.251) 14.203 1.745 ( 7.387 -2.560 13.807) 15.867 2.042 ( -2.959 10.312 -10.802) 15.225 2.203 ( 0.161 2.751 -5.838) 6.456 2.251 ( -2.292 -4.820 -10.731) 11.985 2.299 ( -0.938 -4.343 -3.859) 5.885 2.406 ( 3.098 3.449 4.401) 6.392 2.505 ( 2.183 -4.261 3.837) 6.135 2.724 ( 1.547 6.822 0.659) 7.026 2.812 ( -1.342 7.791 -1.907) 8.132 2.844 ( 0.606 -3.804 0.609) 3.899 2.960 ( 1.542 -5.269 0.716) 5.537 3.109 ( -0.979 2.482 0.334) 2.689 3.186 ( -0.957 -3.798 2.655) 4.732 3.382 ( -1.453 1.747 -0.786) 2.404 3.418 ( -2.580 -1.759 -0.913) 3.254 3.614 ( -0.543 0.695 3.563) 3.670 3.652 ( 1.009 -2.550 4.341) 5.135 3.941 ( -0.328 1.466 1.830) 2.368 3.987 ( -0.799 -2.339 2.169) 3.289 4.251 ( -0.904 1.985 -4.050) 4.600 4.276 ( -2.327 -0.734 -5.863) 6.350 4.474 ( -2.567 6.522 -1.942) 7.273 4.559 ( -1.349 -1.271 1.451) 2.353 4.791 ( -1.698 5.006 -5.191) 7.409 4.857 ( -1.040 -0.219 -1.968) 2.237 5.033 ( 1.115 3.559 0.705) 3.796 5.084 ( 0.313 -0.930 0.504) 1.103 5.699 ( 0.212 2.244 5.428) 5.878 5.759 ( -0.008 -3.230 4.615) 5.633 6.036 ( -2.618 1.793 -3.741) 4.905 6.086 ( -4.023 -2.704 -2.976) 5.688 6.400 ( -2.889 3.850 -3.334) 5.855 6.499 ( -2.171 -5.461 -2.729) 6.479 6.826 ( 0.745 0.106 6.224) 6.270 6.866 ( 0.579 -3.469 7.684) 8.451 7.119 ( 0.119 2.515 -2.205) 3.347 7.196 ( -0.708 -3.726 -4.555) 5.928 7.349 ( 0.295 0.452 1.246) 1.358 7.373 ( 0.598 -1.651 0.256) 1.774 7.439 ( 0.061 4.227 -0.547) 4.263 7.541 ( -0.206 -4.929 0.510) 4.960 7.812 ( 1.826 2.879 -0.244) 3.418 7.898 ( 2.273 -4.472 0.321) 5.026 8.425 ( 1.918 2.792 -0.252) 3.397 8.458 ( 2.037 -0.305 -0.863) 2.233 11.171 ( -2.849 8.232 -1.615) 8.860 11.317 ( -2.422 -1.866 4.069) 5.090 11.451 ( -1.767 6.585 -4.192) 8.004 11.646 ( 0.267 -7.732 0.217) 7.740 12.492 ( 0.908 5.686 5.630) 8.053 12.683 ( 4.210 -12.213 13.915) 18.988 13.820 ( -5.020 8.799 -17.015) 19.803 13.908 ( -6.915 1.072 -22.788) 23.838 14.728 ( 6.165 10.443 12.154) 17.169 14.980 ( 6.229 -11.868 8.425) 15.831 15.180 ( 4.239 9.857 3.281) 11.221 15.442 ( 3.914 -14.954 3.311) 15.808 15.829 ( -8.869 6.496 -3.056) 11.411 15.943 ( -9.741 -4.770 -2.323) 11.092 16.034 ( -0.294 -1.612 -0.146) 1.645 16.044 ( -0.447 -2.809 0.553) 2.898 ======================= Grid point 49 (30/110) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 3.574 -0.000) 3.574 1.242 ( 0.000 -1.471 -0.000) 1.471 1.452 ( 0.000 2.517 0.000) 2.517 1.454 ( -0.000 1.691 -0.000) 1.691 1.841 ( 0.000 7.072 0.000) 7.072 1.874 ( -0.000 13.465 -0.000) 13.465 1.947 ( 0.000 -1.792 0.000) 1.792 2.120 ( 0.000 -8.590 -0.000) 8.590 2.180 ( 0.000 2.356 -0.000) 2.356 2.269 ( 0.000 -5.017 0.000) 5.017 2.478 ( 0.000 3.705 -0.000) 3.705 2.532 ( 0.000 0.490 -0.000) 0.490 2.718 ( 0.000 4.663 0.000) 4.663 2.810 ( 0.000 4.934 -0.000) 4.934 2.839 ( 0.000 -1.073 -0.000) 1.073 2.989 ( 0.000 -6.994 -0.000) 6.994 3.100 ( 0.000 4.081 0.000) 4.081 3.194 ( 0.000 -4.560 0.000) 4.560 3.352 ( 0.000 2.050 -0.000) 2.050 3.400 ( 0.000 -2.324 0.000) 2.324 3.624 ( 0.000 2.857 -0.000) 2.857 3.694 ( 0.000 -3.550 0.000) 3.550 3.947 ( 0.000 0.111 -0.000) 0.111 3.975 ( 0.000 -1.708 -0.000) 1.708 4.218 ( 0.000 1.249 0.000) 1.249 4.232 ( 0.000 -0.309 -0.000) 0.309 4.440 ( 0.000 6.655 0.000) 6.655 4.546 ( 0.000 -3.303 0.000) 3.303 4.753 ( 0.000 6.937 -0.000) 6.937 4.842 ( 0.000 -0.764 0.000) 0.764 5.048 ( 0.000 3.225 -0.000) 3.225 5.089 ( 0.000 -0.112 0.000) 0.112 5.733 ( 0.000 2.558 -0.000) 2.558 5.771 ( 0.000 -1.635 0.000) 1.635 6.012 ( 0.000 -1.720 0.000) 1.720 6.013 ( -0.000 -1.338 -0.000) 1.338 6.358 ( 0.000 4.452 0.000) 4.452 6.467 ( 0.000 -5.863 0.000) 5.863 6.864 ( 0.000 0.414 -0.000) 0.414 6.908 ( 0.000 -3.361 -0.000) 3.361 7.114 ( 0.000 0.824 -0.000) 0.824 7.161 ( 0.000 -1.990 0.000) 1.990 7.358 ( 0.000 0.365 0.000) 0.365 7.378 ( 0.000 -1.705 -0.000) 1.705 7.437 ( 0.000 4.146 -0.000) 4.146 7.540 ( 0.000 -5.173 0.000) 5.173 7.828 ( 0.000 3.199 0.000) 3.199 7.921 ( 0.000 -4.777 0.000) 4.777 8.442 ( 0.000 2.764 0.000) 2.764 8.474 ( 0.000 -0.187 0.000) 0.187 11.138 ( 0.000 8.082 -0.000) 8.082 11.309 ( 0.000 -8.718 0.000) 8.718 11.418 ( 0.000 14.403 -0.000) 14.403 11.649 ( 0.000 -7.729 0.000) 7.729 12.531 ( 0.000 8.275 -0.000) 8.275 12.804 ( 0.000 -17.775 0.000) 17.775 13.683 ( 0.000 7.810 -0.000) 7.810 13.732 ( 0.000 2.634 0.000) 2.634 14.866 ( -0.000 10.088 -0.000) 10.088 15.001 ( 0.000 0.272 0.000) 0.272 15.402 ( 0.000 -4.823 0.000) 4.823 15.416 ( -0.000 -4.485 -0.000) 4.485 15.735 ( 0.000 0.179 0.000) 0.179 15.789 ( -0.000 -5.379 -0.000) 5.379 16.031 ( 0.000 -1.256 -0.000) 1.256 16.045 ( 0.000 -2.034 0.000) 2.034 ======================= Grid point 99 (31/110) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.144 ( -5.644 0.000 11.665) 12.959 0.364 ( 8.560 0.000 17.552) 19.528 0.753 ( 11.988 0.000 35.540) 37.507 0.883 ( -0.655 0.000 -20.309) 20.320 1.068 ( -6.034 0.000 -13.082) 14.407 1.646 ( 1.542 0.000 9.662) 9.784 1.730 ( 5.735 0.000 7.547) 9.478 1.907 ( 4.621 0.000 10.568) 11.534 2.144 ( -6.538 0.000 -18.492) 19.614 2.197 ( -2.314 0.000 -3.483) 4.181 2.258 ( -3.409 0.000 -11.002) 11.518 2.483 ( -10.310 0.000 -12.056) 15.863 2.634 ( 1.412 0.000 2.526) 2.893 2.777 ( -0.239 0.000 -2.702) 2.713 2.914 ( 4.664 0.000 6.300) 7.839 3.002 ( 0.536 0.000 6.155) 6.179 3.193 ( -3.513 0.000 1.703) 3.904 3.248 ( -0.847 0.000 -3.150) 3.262 3.440 ( 0.413 0.000 0.600) 0.729 3.544 ( -1.040 0.000 -3.673) 3.818 3.599 ( 0.237 0.000 9.437) 9.440 3.943 ( 1.550 0.000 -3.846) 4.147 3.992 ( 1.179 0.000 0.489) 1.276 4.025 ( 0.339 0.000 1.468) 1.507 4.177 ( -0.073 0.000 4.246) 4.246 4.364 ( -3.718 0.000 -4.572) 5.893 4.466 ( 3.425 0.000 0.094) 3.426 4.498 ( -3.006 0.000 -2.795) 4.105 4.832 ( 3.801 0.000 5.728) 6.874 4.932 ( -0.491 0.000 0.656) 0.819 5.315 ( 20.569 0.000 0.205) 20.570 5.510 ( -11.968 0.000 -9.643) 15.369 5.947 ( 3.187 0.000 10.183) 10.670 6.135 ( -2.576 0.000 1.218) 2.849 6.180 ( 0.374 0.000 -0.506) 0.629 6.219 ( 54.487 0.000 -2.214) 54.532 6.381 ( -2.626 0.000 0.327) 2.646 6.430 ( 1.521 0.000 -2.109) 2.600 6.932 ( -21.499 0.000 0.711) 21.511 6.999 ( 2.444 0.000 -1.741) 3.000 7.102 ( -4.133 0.000 -0.337) 4.146 7.143 ( 1.082 0.000 -1.207) 1.621 7.255 ( 1.650 0.000 5.123) 5.382 7.456 ( -0.993 0.000 -3.419) 3.560 7.642 ( -0.266 0.000 0.952) 0.988 7.688 ( -0.448 0.000 -0.837) 0.949 8.023 ( 0.401 0.000 0.362) 0.541 8.043 ( -0.046 0.000 -0.357) 0.360 8.195 ( -1.365 0.000 0.420) 1.428 8.209 ( 14.782 0.000 -0.173) 14.783 10.286 ( -0.031 0.000 0.532) 0.533 10.314 ( -0.015 0.000 -0.563) 0.563 12.011 ( 3.369 0.000 2.859) 4.419 12.167 ( -7.951 0.000 -2.554) 8.351 12.644 ( -3.947 0.000 -1.338) 4.168 12.745 ( -0.981 0.000 -2.608) 2.786 13.057 ( -16.503 0.000 18.343) 24.674 14.037 ( -13.866 0.000 -26.218) 29.659 14.842 ( 14.923 0.000 9.811) 17.859 15.017 ( -1.349 0.000 -1.322) 1.889 15.493 ( 11.032 0.000 5.541) 12.346 15.688 ( -20.528 0.000 -2.414) 20.670 16.090 ( -0.339 0.000 1.238) 1.283 16.161 ( -0.565 0.000 -1.503) 1.605 16.473 ( -13.698 0.000 3.653) 14.177 16.649 ( 31.432 0.000 -3.068) 31.581 ======================= Grid point 100 (32/110) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 13.437 0.000 10.888) 17.294 0.638 ( 8.354 0.000 5.841) 10.193 0.803 ( -4.982 0.000 -15.965) 16.724 0.852 ( 9.803 0.000 -4.995) 11.002 1.297 ( 12.036 0.000 31.919) 34.113 1.653 ( -5.539 0.000 -12.584) 13.749 1.794 ( -5.761 0.000 -16.165) 17.161 1.857 ( 2.660 0.000 2.919) 3.949 2.107 ( 4.901 0.000 12.751) 13.660 2.126 ( -1.413 0.000 -5.043) 5.237 2.243 ( 2.782 0.000 1.939) 3.391 2.260 ( -4.193 0.000 -8.168) 9.181 2.678 ( 1.000 0.000 3.141) 3.297 2.738 ( -0.253 0.000 -4.553) 4.560 2.978 ( -4.132 0.000 -3.070) 5.148 3.005 ( -1.843 0.000 6.827) 7.071 3.173 ( 0.279 0.000 2.807) 2.820 3.227 ( -0.269 0.000 -0.457) 0.531 3.441 ( -1.074 0.000 1.413) 1.775 3.493 ( -1.345 0.000 -2.748) 3.060 3.667 ( -0.888 0.000 8.067) 8.116 3.879 ( -2.400 0.000 -6.974) 7.376 4.011 ( -0.801 0.000 0.415) 0.903 4.012 ( -2.130 0.000 1.131) 2.411 4.194 ( -1.938 0.000 6.127) 6.427 4.245 ( -5.078 0.000 -3.103) 5.951 4.405 ( -4.446 0.000 -1.676) 4.752 4.504 ( 0.651 0.000 -0.639) 0.912 4.882 ( -6.157 0.000 -3.342) 7.006 4.925 ( 2.056 0.000 4.863) 5.279 5.142 ( -16.129 0.000 -13.337) 20.929 5.404 ( -2.832 0.000 8.992) 9.428 5.835 ( -10.577 0.000 -3.915) 11.279 6.106 ( -4.332 0.000 -1.367) 4.543 6.183 ( 4.541 0.000 4.274) 6.236 6.256 ( -11.630 0.000 -2.873) 11.980 6.394 ( -7.500 0.000 6.080) 9.655 6.405 ( 2.832 0.000 0.316) 2.850 7.027 ( 1.041 0.000 0.294) 1.081 7.081 ( 4.412 0.000 1.467) 4.650 7.133 ( 13.089 0.000 -7.765) 15.219 7.174 ( 2.939 0.000 -0.291) 2.953 7.333 ( 1.589 0.000 4.423) 4.699 7.417 ( 0.351 0.000 -4.574) 4.587 7.669 ( 2.172 0.000 1.093) 2.431 7.704 ( 2.187 0.000 -0.701) 2.296 7.902 ( -9.711 0.000 -0.069) 9.711 7.995 ( -1.258 0.000 -2.531) 2.827 8.252 ( 4.490 0.000 -0.969) 4.593 8.394 ( 5.448 0.000 -4.823) 7.277 10.295 ( 0.313 0.000 0.623) 0.698 10.309 ( -0.140 0.000 -0.502) 0.521 11.935 ( -9.439 0.000 0.047) 9.439 12.113 ( 3.054 0.000 6.165) 6.880 12.689 ( 2.544 0.000 2.225) 3.380 12.690 ( -1.460 0.000 -3.955) 4.216 13.166 ( 5.212 0.000 31.501) 31.930 13.605 ( -13.036 0.000 -18.736) 22.825 14.878 ( -8.029 0.000 -7.135) 10.741 15.024 ( 2.021 0.000 1.674) 2.624 15.325 ( -9.454 0.000 6.134) 11.270 15.734 ( -11.383 0.000 -8.197) 14.028 16.084 ( 12.056 0.000 16.767) 20.652 16.132 ( -1.246 0.000 -2.326) 2.639 16.295 ( -2.173 0.000 -0.266) 2.190 17.007 ( 7.246 0.000 -9.840) 12.220 ======================= Grid point 101 (33/110) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( -0.978 0.000 -14.614) 14.647 0.741 ( 13.815 0.000 11.546) 18.005 0.812 ( 10.005 0.000 -3.804) 10.704 1.066 ( 6.303 0.000 5.331) 8.255 1.298 ( -4.844 0.000 -27.796) 28.215 1.682 ( 4.937 0.000 15.000) 15.792 1.693 ( -1.364 0.000 -4.353) 4.562 1.858 ( -2.969 0.000 -0.954) 3.119 2.093 ( 4.447 0.000 -0.745) 4.508 2.223 ( 1.778 0.000 0.964) 2.022 2.235 ( 1.757 0.000 5.036) 5.334 2.381 ( 3.538 0.000 12.150) 12.655 2.698 ( 0.124 0.000 -5.564) 5.566 2.714 ( -0.540 0.000 1.012) 1.147 2.843 ( -4.439 0.000 -4.333) 6.203 2.973 ( -4.793 0.000 4.934) 6.878 3.209 ( -1.656 0.000 -0.338) 1.690 3.233 ( 2.824 0.000 2.259) 3.616 3.430 ( -1.354 0.000 2.673) 2.997 3.456 ( -0.767 0.000 -1.244) 1.462 3.680 ( -1.569 0.000 1.198) 1.974 3.759 ( -3.782 0.000 -8.223) 9.051 3.950 ( -4.379 0.000 -2.628) 5.107 3.997 ( 0.210 0.000 1.515) 1.529 4.124 ( -5.936 0.000 -2.661) 6.505 4.204 ( -2.765 0.000 7.330) 7.834 4.313 ( -4.116 0.000 -0.834) 4.200 4.486 ( -2.987 0.000 -3.356) 4.492 4.507 ( -15.066 0.000 -16.596) 22.415 4.881 ( -5.211 0.000 -8.053) 9.592 4.984 ( 1.271 0.000 1.809) 2.211 5.435 ( -4.633 0.000 17.430) 18.035 5.707 ( -0.691 0.000 -0.498) 0.852 6.001 ( -10.474 0.000 -5.825) 11.984 6.036 ( -1.518 0.000 -3.912) 4.196 6.262 ( 1.373 0.000 -0.305) 1.407 6.361 ( -1.225 0.000 4.005) 4.189 6.468 ( 2.851 0.000 2.044) 3.508 7.059 ( 1.474 0.000 3.919) 4.187 7.134 ( -0.213 0.000 1.141) 1.160 7.225 ( 3.375 0.000 -5.550) 6.496 7.250 ( 4.303 0.000 0.649) 4.352 7.363 ( -1.876 0.000 3.520) 3.989 7.400 ( 1.229 0.000 -3.471) 3.683 7.672 ( -7.221 0.000 1.643) 7.405 7.733 ( 0.870 0.000 -0.896) 1.248 7.789 ( 2.895 0.000 -0.279) 2.908 7.987 ( 3.293 0.000 -3.584) 4.867 8.307 ( 2.402 0.000 -1.834) 3.022 8.406 ( -0.459 0.000 -1.411) 1.484 10.300 ( -0.506 0.000 -0.231) 0.556 10.306 ( 0.484 0.000 0.441) 0.655 11.820 ( -3.636 0.000 0.110) 3.638 12.206 ( 1.693 0.000 5.628) 5.877 12.661 ( 0.779 0.000 -0.616) 0.993 12.723 ( 0.476 0.000 0.565) 0.739 13.217 ( -14.327 0.000 -14.746) 20.560 13.617 ( 13.062 0.000 31.737) 34.319 14.669 ( -5.125 0.000 -12.933) 13.911 15.003 ( -4.415 0.000 -5.208) 6.828 15.265 ( -15.683 0.000 -11.105) 19.217 15.291 ( -1.704 0.000 6.432) 6.654 16.084 ( -1.001 0.000 -3.667) 3.801 16.247 ( 0.446 0.000 -2.764) 2.800 16.604 ( 14.595 0.000 20.358) 25.049 16.917 ( -7.201 0.000 -7.172) 10.164 ======================= Grid point 102 (34/110) ======================= q-point: ( 0.30 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 2.751 0.000 -6.070) 6.664 0.800 ( -2.627 0.000 -17.507) 17.703 1.078 ( 7.686 0.000 -6.063) 9.789 1.087 ( 12.575 0.000 11.527) 17.059 1.276 ( 2.745 0.000 -0.013) 2.745 1.659 ( -4.583 0.000 -9.048) 10.143 1.707 ( 5.575 0.000 -0.292) 5.583 1.813 ( -1.279 0.000 -0.121) 1.285 2.260 ( 1.802 0.000 2.848) 3.370 2.284 ( 0.517 0.000 2.774) 2.822 2.316 ( 6.868 0.000 12.095) 13.909 2.493 ( -0.610 0.000 5.701) 5.734 2.617 ( -3.762 0.000 -5.084) 6.324 2.649 ( -0.489 0.000 -5.340) 5.362 2.816 ( -2.118 0.000 5.161) 5.578 2.934 ( -2.022 0.000 1.858) 2.746 3.154 ( -2.837 0.000 -1.884) 3.406 3.299 ( 2.510 0.000 1.634) 2.994 3.447 ( 0.387 0.000 -0.092) 0.397 3.459 ( 1.639 0.000 4.317) 4.618 3.614 ( -4.375 0.000 -8.104) 9.209 3.636 ( 0.385 0.000 -8.853) 8.861 3.831 ( -5.067 0.000 -2.582) 5.687 3.957 ( -6.010 0.000 -4.682) 7.618 4.035 ( 1.945 0.000 0.500) 2.008 4.185 ( -4.505 0.000 2.914) 5.365 4.196 ( -5.014 0.000 -6.516) 8.222 4.246 ( -2.443 0.000 1.942) 3.121 4.481 ( -0.362 0.000 4.093) 4.109 4.711 ( -5.753 0.000 -8.201) 10.018 5.004 ( 0.650 0.000 -0.876) 1.091 5.494 ( -5.391 0.000 17.706) 18.508 5.738 ( -6.815 0.000 -13.512) 15.134 5.764 ( 3.978 0.000 4.195) 5.781 6.016 ( 0.139 0.000 -0.041) 0.144 6.233 ( -2.495 0.000 -3.118) 3.994 6.388 ( 0.758 0.000 2.577) 2.686 6.536 ( 2.337 0.000 1.497) 2.776 7.103 ( -2.351 0.000 -1.374) 2.723 7.136 ( 2.639 0.000 4.516) 5.231 7.213 ( 0.010 0.000 -4.032) 4.032 7.322 ( 2.487 0.000 -0.895) 2.643 7.328 ( -3.653 0.000 1.884) 4.111 7.404 ( 0.952 0.000 -0.269) 0.989 7.552 ( -5.400 0.000 2.678) 6.028 7.723 ( -0.415 0.000 -1.762) 1.810 7.889 ( 5.498 0.000 0.974) 5.583 8.050 ( 5.020 0.000 -2.050) 5.422 8.320 ( 0.861 0.000 -2.207) 2.369 8.373 ( -2.175 0.000 -0.166) 2.182 10.286 ( -0.800 0.000 0.065) 0.803 10.319 ( 0.668 0.000 -0.105) 0.676 11.779 ( -1.371 0.000 1.057) 1.731 12.283 ( 2.842 0.000 4.480) 5.305 12.659 ( -5.166 0.000 -0.529) 5.193 12.727 ( -0.311 0.000 0.305) 0.435 12.881 ( -6.073 0.000 -9.426) 11.213 14.071 ( 10.087 0.000 18.640) 21.195 14.497 ( -1.759 0.000 -8.828) 9.001 14.770 ( -7.385 0.000 -9.319) 11.890 15.112 ( -1.816 0.000 -0.130) 1.820 15.319 ( -1.754 0.000 6.685) 6.911 16.054 ( 1.873 0.000 -4.225) 4.621 16.226 ( -0.395 0.000 -1.979) 2.018 16.680 ( -11.069 0.000 -5.847) 12.518 16.913 ( 4.926 0.000 10.647) 11.731 ======================= Grid point 103 (35/110) ======================= q-point: ( 0.40 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 3.748 0.000 4.149) 5.591 0.751 ( 5.867 0.000 2.658) 6.441 1.174 ( 4.959 0.000 -3.593) 6.124 1.295 ( 1.330 0.000 -3.148) 3.418 1.380 ( 7.898 0.000 6.109) 9.986 1.497 ( -3.786 0.000 -3.570) 5.203 1.787 ( -0.522 0.000 -2.273) 2.332 1.833 ( 4.269 0.000 2.879) 5.149 2.273 ( 0.296 0.000 -2.474) 2.491 2.306 ( 0.327 0.000 0.402) 0.518 2.429 ( -2.648 0.000 -6.852) 7.346 2.435 ( -1.909 0.000 -0.499) 1.973 2.580 ( -1.496 0.000 3.914) 4.190 2.649 ( 1.826 0.000 4.329) 4.699 2.793 ( -3.398 0.000 3.641) 4.980 2.911 ( -0.810 0.000 -2.113) 2.263 3.098 ( -1.033 0.000 -1.163) 1.555 3.368 ( 2.989 0.000 2.682) 4.016 3.459 ( -0.101 0.000 -3.670) 3.672 3.460 ( -0.870 0.000 -7.709) 7.758 3.484 ( -1.977 0.000 -2.122) 2.901 3.663 ( 5.316 0.000 5.291) 7.500 3.749 ( -2.108 0.000 0.558) 2.180 3.892 ( -1.567 0.000 1.408) 2.107 4.058 ( 0.937 0.000 -1.750) 1.984 4.098 ( -3.838 0.000 -2.524) 4.593 4.124 ( -0.523 0.000 1.546) 1.632 4.237 ( -1.739 0.000 4.109) 4.462 4.472 ( -3.415 0.000 -6.794) 7.604 4.628 ( 1.297 0.000 7.730) 7.838 4.997 ( -0.014 0.000 -2.946) 2.946 5.352 ( -10.142 0.000 -10.027) 14.262 5.692 ( 2.166 0.000 7.443) 7.751 5.874 ( 2.517 0.000 3.523) 4.330 6.035 ( 0.588 0.000 3.389) 3.439 6.154 ( -2.229 0.000 -1.429) 2.648 6.410 ( 0.098 0.000 -0.081) 0.127 6.564 ( 0.446 0.000 -1.787) 1.842 7.052 ( -1.323 0.000 -1.242) 1.815 7.163 ( -1.109 0.000 -2.654) 2.877 7.230 ( 1.706 0.000 4.168) 4.504 7.271 ( -2.016 0.000 -0.446) 2.065 7.315 ( -0.451 0.000 -3.306) 3.337 7.440 ( 1.610 0.000 0.940) 1.865 7.510 ( -2.330 0.000 4.267) 4.862 7.703 ( -0.195 0.000 -1.339) 1.353 7.988 ( 3.379 0.000 1.650) 3.760 8.123 ( 3.769 0.000 -1.551) 4.076 8.315 ( 0.565 0.000 -1.921) 2.003 8.325 ( -2.586 0.000 -0.080) 2.587 10.274 ( -0.598 0.000 0.473) 0.763 10.328 ( 0.531 0.000 -0.772) 0.937 11.779 ( -0.247 0.000 2.654) 2.666 12.331 ( -2.205 0.000 -8.945) 9.213 12.513 ( -1.583 0.000 8.569) 8.714 12.723 ( -0.267 0.000 0.731) 0.778 12.856 ( 1.666 0.000 0.517) 1.744 14.091 ( -2.675 0.000 -22.693) 22.850 14.618 ( 5.381 0.000 19.717) 20.438 14.664 ( -0.474 0.000 1.084) 1.183 15.090 ( -0.789 0.000 -0.187) 0.810 15.294 ( -5.168 0.000 2.453) 5.721 16.127 ( 8.011 0.000 0.658) 8.038 16.211 ( 0.154 0.000 -0.722) 0.738 16.441 ( -9.565 0.000 -3.328) 10.128 16.980 ( -1.599 0.000 -0.364) 1.640 ======================= Grid point 104 (36/110) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 3.256 0.000 10.288) 10.791 0.986 ( 7.656 0.000 12.972) 15.063 1.201 ( 0.730 0.000 -1.347) 1.532 1.277 ( -7.905 0.000 -5.867) 9.845 1.296 ( 2.441 0.000 -2.952) 3.831 1.648 ( 5.262 0.000 4.275) 6.780 1.749 ( -0.183 0.000 -1.808) 1.817 1.872 ( -1.413 0.000 0.811) 1.629 2.247 ( 0.533 0.000 -4.571) 4.602 2.272 ( -3.894 0.000 -3.110) 4.984 2.336 ( -4.439 0.000 -2.904) 5.305 2.349 ( -0.035 0.000 -4.380) 4.380 2.623 ( 3.739 0.000 3.116) 4.867 2.688 ( -1.396 0.000 0.690) 1.557 2.762 ( -2.314 0.000 2.612) 3.489 2.876 ( -0.143 0.000 -2.698) 2.702 3.108 ( 1.348 0.000 2.339) 2.700 3.350 ( -2.977 0.000 -5.396) 6.163 3.401 ( -0.221 0.000 -3.186) 3.193 3.420 ( 0.115 0.000 -0.792) 0.800 3.571 ( 6.001 0.000 5.813) 8.355 3.769 ( 2.049 0.000 4.382) 4.837 3.791 ( 0.355 0.000 1.242) 1.291 3.864 ( 0.876 0.000 1.365) 1.621 4.017 ( -1.749 0.000 -4.096) 4.454 4.031 ( -1.455 0.000 -4.956) 5.166 4.219 ( 4.509 0.000 9.072) 10.131 4.236 ( -1.082 0.000 2.518) 2.740 4.376 ( 0.648 0.000 -1.764) 1.879 4.772 ( 4.033 0.000 10.790) 11.519 4.916 ( -4.237 0.000 -12.246) 12.959 5.114 ( -4.313 0.000 -9.224) 10.182 5.806 ( 3.761 0.000 4.646) 5.978 5.854 ( -4.297 0.000 -1.606) 4.587 6.099 ( 0.964 0.000 9.253) 9.303 6.189 ( 3.763 0.000 4.262) 5.685 6.382 ( -1.740 0.000 -2.955) 3.429 6.523 ( -1.408 0.000 -5.664) 5.837 7.044 ( 0.836 0.000 0.230) 0.867 7.116 ( -1.434 0.000 -3.075) 3.393 7.225 ( -1.005 0.000 0.824) 1.300 7.284 ( 0.335 0.000 -3.064) 3.082 7.312 ( 2.059 0.000 3.055) 3.684 7.441 ( -0.943 0.000 -2.099) 2.301 7.530 ( -0.326 0.000 6.105) 6.113 7.696 ( 0.571 0.000 -1.321) 1.439 8.033 ( -0.329 0.000 2.092) 2.118 8.156 ( 0.841 0.000 -1.854) 2.036 8.281 ( -1.529 0.000 -0.568) 1.631 8.319 ( 1.320 0.000 -1.236) 1.808 10.273 ( -0.082 0.000 0.833) 0.837 10.326 ( 0.131 0.000 -1.221) 1.228 11.812 ( 0.651 0.000 4.851) 4.894 12.157 ( -3.771 0.000 -11.116) 11.738 12.670 ( 3.788 0.000 10.976) 11.611 12.732 ( 0.267 0.000 1.401) 1.426 12.913 ( 3.415 0.000 6.424) 7.276 13.780 ( -7.356 0.000 -28.724) 29.651 14.755 ( 5.187 0.000 9.411) 10.746 14.837 ( 2.572 0.000 14.591) 14.816 15.073 ( -0.470 0.000 -1.040) 1.142 15.174 ( -5.411 0.000 -5.345) 7.605 16.228 ( 1.632 0.000 1.033) 1.932 16.273 ( -5.890 0.000 -0.564) 5.917 16.360 ( 11.329 0.000 7.880) 13.800 16.864 ( -6.079 0.000 -9.776) 11.512 ======================= Grid point 105 (37/110) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 1.969 0.000 10.457) 10.641 0.997 ( -5.515 0.000 -8.816) 10.399 1.064 ( -10.726 0.000 -1.972) 10.905 1.255 ( -0.454 0.000 4.325) 4.349 1.436 ( 8.500 0.000 10.973) 13.880 1.512 ( -8.106 0.000 -17.208) 19.022 1.832 ( -1.585 0.000 -1.335) 2.072 1.864 ( 3.560 0.000 5.729) 6.744 2.151 ( -4.338 0.000 -3.346) 5.478 2.241 ( -1.789 0.000 1.089) 2.094 2.284 ( 2.267 0.000 2.212) 3.167 2.338 ( 0.413 0.000 -0.793) 0.894 2.617 ( -2.382 0.000 -7.021) 7.414 2.734 ( 0.782 0.000 3.012) 3.112 2.760 ( 3.445 0.000 2.168) 4.070 2.870 ( 0.117 0.000 0.389) 0.406 3.172 ( 2.075 0.000 4.841) 5.268 3.251 ( -2.698 0.000 -6.060) 6.633 3.395 ( 0.241 0.000 0.724) 0.763 3.409 ( 0.316 0.000 -1.360) 1.396 3.693 ( -4.860 0.000 -6.181) 7.863 3.737 ( 5.518 0.000 5.608) 7.868 3.875 ( 4.059 0.000 5.182) 6.582 3.935 ( -1.990 0.000 -6.791) 7.076 3.962 ( 4.464 0.000 2.511) 5.122 3.968 ( 0.237 0.000 -4.512) 4.518 4.244 ( 0.658 0.000 1.581) 1.712 4.333 ( 4.319 0.000 0.516) 4.349 4.550 ( 8.539 0.000 16.097) 18.221 4.672 ( -5.564 0.000 -20.541) 21.281 4.925 ( 3.902 0.000 8.803) 9.629 5.016 ( -1.529 0.000 -6.945) 7.111 5.763 ( -3.331 0.000 -0.064) 3.332 5.896 ( 3.269 0.000 1.176) 3.474 6.194 ( -0.577 0.000 8.345) 8.364 6.289 ( 2.077 0.000 2.758) 3.452 6.326 ( -0.330 0.000 -0.821) 0.885 6.440 ( -1.114 0.000 -6.979) 7.067 7.061 ( -1.919 0.000 -2.304) 2.999 7.072 ( 1.395 0.000 0.532) 1.493 7.239 ( 1.526 0.000 0.770) 1.709 7.288 ( 1.597 0.000 -1.726) 2.352 7.363 ( 0.609 0.000 3.307) 3.362 7.399 ( -0.098 0.000 -3.210) 3.212 7.571 ( -0.517 0.000 5.581) 5.605 7.700 ( 1.301 0.000 -2.418) 2.746 8.008 ( -4.058 0.000 2.402) 4.715 8.128 ( -1.763 0.000 -2.189) 2.810 8.260 ( -0.046 0.000 -1.629) 1.630 8.342 ( 1.538 0.000 -0.543) 1.631 10.283 ( 0.351 0.000 0.881) 0.948 10.315 ( -0.219 0.000 -1.179) 1.199 11.885 ( 1.741 0.000 8.107) 8.292 12.036 ( -0.877 0.000 -9.064) 9.106 12.737 ( -0.521 0.000 2.009) 2.075 12.749 ( 0.060 0.000 1.218) 1.219 13.148 ( 9.480 0.000 18.042) 20.381 13.390 ( -9.581 0.000 -27.059) 28.705 14.940 ( -2.055 0.000 7.387) 7.667 14.964 ( 5.127 0.000 7.238) 8.871 15.041 ( -0.667 0.000 -8.848) 8.873 15.085 ( 4.787 0.000 3.576) 5.975 16.190 ( -2.968 0.000 0.918) 3.107 16.289 ( 2.913 0.000 3.264) 4.375 16.600 ( -10.503 0.000 -16.733) 19.756 16.658 ( 11.485 0.000 10.087) 15.286 ======================= Grid point 106 (38/110) ======================= q-point: (-0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -9.903 0.000 -11.561) 15.222 0.771 ( -12.603 0.000 -6.567) 14.211 1.010 ( -2.840 0.000 6.452) 7.050 1.181 ( -9.513 0.000 -11.755) 15.122 1.262 ( -2.136 0.000 5.855) 6.233 1.579 ( -0.120 0.000 -0.914) 0.922 1.808 ( 1.389 0.000 -5.742) 5.908 1.882 ( -3.276 0.000 -2.946) 4.406 2.133 ( 2.014 0.000 7.969) 8.220 2.229 ( -0.359 0.000 3.576) 3.594 2.349 ( -0.163 0.000 2.969) 2.973 2.420 ( 4.843 0.000 10.599) 11.653 2.515 ( -0.664 0.000 -10.358) 10.379 2.735 ( -1.520 0.000 3.918) 4.202 2.855 ( 3.614 0.000 -1.743) 4.012 2.881 ( -0.183 0.000 2.291) 2.299 3.151 ( -2.731 0.000 -6.118) 6.700 3.257 ( 1.935 0.000 6.423) 6.708 3.409 ( 0.261 0.000 1.074) 1.105 3.428 ( 2.833 0.000 -0.980) 2.998 3.547 ( -4.091 0.000 -7.517) 8.558 3.824 ( 0.600 0.000 -4.067) 4.111 3.869 ( 0.627 0.000 -4.611) 4.653 3.926 ( 2.118 0.000 -1.703) 2.718 3.998 ( 2.142 0.000 1.744) 2.762 4.083 ( 5.802 0.000 2.978) 6.522 4.309 ( 4.047 0.000 3.334) 5.243 4.417 ( 4.565 0.000 -1.477) 4.798 4.426 ( -2.369 0.000 -19.422) 19.566 4.814 ( 4.987 0.000 10.600) 11.714 4.914 ( -2.175 0.000 -9.740) 9.980 5.101 ( 7.926 0.000 12.530) 14.826 5.749 ( 0.910 0.000 2.603) 2.758 5.932 ( -0.655 0.000 -1.158) 1.331 6.169 ( -1.622 0.000 -0.771) 1.796 6.242 ( -4.389 0.000 -6.405) 7.764 6.401 ( 2.415 0.000 7.454) 7.835 6.429 ( 2.036 0.000 -0.658) 2.139 7.020 ( -0.950 0.000 0.149) 0.962 7.097 ( 0.532 0.000 0.612) 0.811 7.267 ( -2.226 0.000 -1.920) 2.940 7.278 ( 1.500 0.000 0.238) 1.519 7.390 ( 0.050 0.000 2.813) 2.813 7.444 ( 6.641 0.000 -2.683) 7.163 7.598 ( -0.614 0.000 4.724) 4.764 7.706 ( 1.596 0.000 -2.971) 3.373 7.926 ( -6.353 0.000 2.695) 6.901 8.068 ( -1.656 0.000 -4.644) 4.930 8.243 ( -0.382 0.000 -1.875) 1.914 8.358 ( 0.184 0.000 -0.001) 0.184 10.298 ( 0.513 0.000 0.612) 0.798 10.302 ( -0.343 0.000 -0.647) 0.732 11.970 ( 0.616 0.000 -7.424) 7.449 12.011 ( 3.046 0.000 12.377) 12.747 12.735 ( -1.843 0.000 -1.818) 2.589 12.739 ( -0.071 0.000 1.109) 1.111 13.036 ( -7.610 0.000 -17.098) 18.715 13.503 ( 11.895 0.000 19.294) 22.666 14.854 ( -2.840 0.000 -9.009) 9.446 14.967 ( -1.115 0.000 -5.651) 5.760 15.051 ( 1.308 0.000 2.312) 2.657 15.374 ( 13.762 0.000 10.656) 17.405 16.167 ( -0.725 0.000 1.477) 1.645 16.215 ( -14.550 0.000 -18.383) 23.444 16.387 ( 3.246 0.000 6.465) 7.234 16.930 ( 9.432 0.000 7.295) 11.923 ======================= Grid point 107 (39/110) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( -14.816 0.000 -12.376) 19.305 0.458 ( -12.399 0.000 -10.203) 16.058 0.729 ( -17.075 0.000 -4.701) 17.710 1.188 ( 2.368 0.000 6.396) 6.821 1.266 ( -2.596 0.000 2.205) 3.406 1.487 ( -3.004 0.000 -5.226) 6.028 1.725 ( -7.197 0.000 -8.157) 10.878 1.783 ( 0.306 0.000 -2.918) 2.934 2.253 ( 1.581 0.000 3.155) 3.528 2.259 ( -0.170 0.000 2.900) 2.905 2.409 ( 3.230 0.000 8.319) 8.924 2.453 ( 1.176 0.000 -2.067) 2.378 2.618 ( 5.807 0.000 14.591) 15.704 2.739 ( -1.571 0.000 0.388) 1.618 2.849 ( -0.654 0.000 -3.385) 3.447 2.892 ( -0.919 0.000 2.792) 2.939 3.044 ( -3.950 0.000 -6.457) 7.570 3.328 ( -0.044 0.000 4.287) 4.287 3.405 ( -0.038 0.000 -3.585) 3.585 3.469 ( 0.189 0.000 1.201) 1.216 3.493 ( 4.365 0.000 -1.886) 4.755 3.681 ( -4.757 0.000 -18.382) 18.987 3.892 ( 3.821 0.000 -1.082) 3.971 3.969 ( -0.290 0.000 0.855) 0.902 4.012 ( 1.623 0.000 -1.705) 2.354 4.226 ( 6.437 0.000 3.089) 7.140 4.274 ( 0.939 0.000 -11.106) 11.145 4.459 ( 4.645 0.000 6.307) 7.833 4.469 ( 2.628 0.000 -3.429) 4.320 4.799 ( -1.311 0.000 -8.770) 8.867 4.902 ( 0.512 0.000 3.106) 3.148 5.413 ( 10.827 0.000 16.208) 19.492 5.821 ( 3.550 0.000 1.447) 3.833 5.840 ( -4.968 0.000 -5.401) 7.339 6.088 ( -4.902 0.000 -6.709) 8.309 6.176 ( 0.920 0.000 2.125) 2.316 6.455 ( 0.619 0.000 0.296) 0.686 6.473 ( 0.121 0.000 3.704) 3.706 7.041 ( 1.664 0.000 3.398) 3.783 7.095 ( -1.524 0.000 0.597) 1.637 7.202 ( -2.514 0.000 -2.167) 3.318 7.271 ( -1.965 0.000 -1.306) 2.359 7.425 ( 1.569 0.000 1.418) 2.115 7.521 ( 1.587 0.000 -1.724) 2.343 7.656 ( 3.652 0.000 1.954) 4.142 7.721 ( 1.921 0.000 -0.819) 2.088 7.835 ( -3.794 0.000 2.869) 4.757 7.982 ( -1.176 0.000 -11.151) 11.213 8.214 ( -1.877 0.000 -0.366) 1.912 8.341 ( -2.323 0.000 0.553) 2.387 10.293 ( -0.345 0.000 0.040) 0.347 10.310 ( 0.438 0.000 0.206) 0.484 11.939 ( 1.427 0.000 -5.042) 5.240 12.171 ( 2.241 0.000 10.044) 10.291 12.694 ( 1.097 0.000 5.022) 5.141 12.753 ( 0.724 0.000 0.450) 0.852 12.866 ( -2.589 0.000 -3.387) 4.263 13.906 ( 15.332 0.000 17.593) 23.337 14.741 ( -1.413 0.000 -7.505) 7.637 14.844 ( -4.567 0.000 -14.801) 15.489 15.092 ( 0.980 0.000 2.752) 2.921 15.606 ( 1.587 0.000 -10.149) 10.273 15.886 ( -3.448 0.000 2.032) 4.002 16.175 ( 0.126 0.000 1.446) 1.451 16.509 ( 1.991 0.000 10.574) 10.760 17.105 ( 5.075 0.000 -1.061) 5.185 ======================= Grid point 108 (40/110) ======================= q-point: (-0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.197 ( -7.290 0.000 4.410) 8.520 0.278 ( 3.913 0.000 30.309) 30.560 0.387 ( -18.301 0.000 2.899) 18.529 1.110 ( -5.285 0.000 -17.802) 18.569 1.247 ( -1.355 0.000 -2.352) 2.714 1.515 ( 1.669 0.000 11.812) 11.929 1.575 ( 0.100 0.000 2.465) 2.467 1.796 ( 1.566 0.000 2.903) 3.299 2.243 ( -1.925 0.000 -1.040) 2.188 2.253 ( -1.677 0.000 -0.225) 1.692 2.511 ( -0.110 0.000 -9.659) 9.660 2.602 ( -2.661 0.000 -6.321) 6.858 2.643 ( 11.676 0.000 9.822) 15.257 2.813 ( -4.448 0.000 -13.571) 14.282 2.860 ( -3.771 0.000 -1.891) 4.219 2.898 ( 1.667 0.000 10.673) 10.803 3.114 ( 21.828 0.000 38.035) 43.854 3.300 ( -1.435 0.000 -3.570) 3.848 3.416 ( 1.270 0.000 1.018) 1.628 3.478 ( 10.641 0.000 17.656) 20.615 3.522 ( 0.968 0.000 6.784) 6.853 3.567 ( 1.334 0.000 -1.867) 2.295 3.953 ( -0.228 0.000 2.090) 2.103 3.972 ( 3.762 0.000 1.076) 3.913 4.054 ( 2.982 0.000 1.819) 3.493 4.264 ( 4.229 0.000 3.981) 5.808 4.362 ( 5.427 0.000 1.655) 5.674 4.456 ( -0.588 0.000 -4.545) 4.583 4.542 ( 0.410 0.000 -0.034) 0.411 4.774 ( 2.569 0.000 1.650) 3.053 4.923 ( 0.144 0.000 1.580) 1.587 5.715 ( 7.086 0.000 9.733) 12.039 5.719 ( -2.277 0.000 -1.970) 3.011 5.776 ( -5.602 0.000 -3.886) 6.818 6.070 ( 4.857 0.000 1.880) 5.208 6.202 ( -0.366 0.000 1.789) 1.826 6.450 ( -2.621 0.000 1.714) 3.132 6.470 ( -1.532 0.000 -0.332) 1.568 7.038 ( -3.772 0.000 -1.181) 3.952 7.120 ( 2.596 0.000 3.580) 4.422 7.151 ( -0.751 0.000 -1.922) 2.064 7.197 ( -3.773 0.000 -1.986) 4.264 7.401 ( -5.373 0.000 -8.584) 10.127 7.501 ( -1.384 0.000 -1.780) 2.255 7.664 ( -2.473 0.000 0.775) 2.592 7.755 ( -2.121 0.000 -1.550) 2.627 7.882 ( 4.940 0.000 -5.378) 7.303 7.908 ( 7.541 0.000 1.187) 7.634 8.163 ( -4.144 0.000 2.500) 4.839 8.276 ( -5.090 0.000 1.020) 5.192 10.288 ( -0.385 0.000 0.378) 0.539 10.316 ( 0.200 0.000 -0.235) 0.308 11.949 ( 2.472 0.000 -1.467) 2.875 12.205 ( -0.913 0.000 1.320) 1.605 12.757 ( -2.146 0.000 -3.430) 4.046 12.764 ( 0.339 0.000 -0.867) 0.931 13.061 ( 15.728 0.000 15.418) 22.024 14.369 ( 19.825 0.000 11.811) 23.076 14.519 ( -12.228 0.000 -23.056) 26.098 14.814 ( 12.846 0.000 18.496) 22.519 15.168 ( 7.392 0.000 9.970) 12.411 15.438 ( -3.419 0.000 -4.923) 5.994 16.011 ( 5.755 0.000 3.483) 6.727 16.185 ( -0.213 0.000 0.920) 0.944 16.589 ( -4.141 0.000 10.858) 11.621 16.990 ( -13.521 0.000 -22.723) 26.442 ======================= Grid point 109 (41/110) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.226 ( -7.809 7.260 8.386) 13.565 0.524 ( 3.031 13.677 11.100) 17.873 0.815 ( 0.011 -0.316 -12.997) 13.001 0.974 ( 12.525 15.327 22.382) 29.879 1.133 ( -6.959 5.787 -14.910) 17.442 1.557 ( 3.597 -3.848 9.135) 10.544 1.796 ( 5.546 2.581 9.320) 11.148 1.926 ( -0.903 -1.980 1.497) 2.642 2.127 ( -2.905 3.848 -8.381) 9.669 2.202 ( -6.453 -1.893 -13.965) 15.500 2.337 ( 0.423 3.784 -3.823) 5.396 2.487 ( -7.730 1.079 -9.436) 12.246 2.649 ( 1.451 1.018 1.655) 2.425 2.803 ( 1.118 1.414 -3.187) 3.662 2.895 ( 1.249 -2.312 7.849) 8.277 3.018 ( -0.025 1.561 3.286) 3.638 3.130 ( 1.485 -1.533 1.082) 2.393 3.285 ( -3.621 1.397 -5.487) 6.721 3.440 ( -0.224 0.315 0.890) 0.970 3.537 ( -0.968 -0.404 -3.011) 3.189 3.620 ( 1.058 1.687 9.194) 9.407 3.863 ( 4.453 -8.119 4.743) 10.404 3.991 ( 1.807 0.868 0.469) 2.059 4.044 ( -1.418 1.058 -1.133) 2.101 4.126 ( 0.844 -2.804 3.922) 4.894 4.328 ( -3.118 -3.175 -5.530) 7.098 4.501 ( -1.899 1.041 -0.965) 2.371 4.519 ( 0.674 4.608 -1.326) 4.842 4.772 ( 17.381 -16.651 22.623) 33.033 4.902 ( 3.304 2.891 4.150) 6.041 5.030 ( 2.683 -2.556 5.011) 6.232 5.435 ( -8.824 -7.946 -8.862) 14.817 5.746 ( 7.046 -8.055 8.921) 13.932 5.973 ( 1.661 -0.341 6.776) 6.985 6.103 ( -2.103 -1.922 -0.598) 2.911 6.223 ( -2.062 2.494 -1.080) 3.412 6.498 ( -1.025 5.673 0.576) 5.793 6.737 ( 14.566 7.839 -9.712) 19.182 6.915 ( -12.388 -0.607 1.275) 12.468 6.999 ( 1.734 -0.517 -1.965) 2.671 7.120 ( -3.700 1.516 -0.881) 4.094 7.188 ( 2.391 1.903 -3.707) 4.804 7.273 ( 1.915 1.093 4.344) 4.871 7.450 ( -2.778 -1.183 -2.695) 4.047 7.614 ( 0.010 -2.657 2.320) 3.527 7.677 ( 0.111 -2.478 1.542) 2.921 7.822 ( 3.858 -13.320 8.446) 16.237 7.992 ( -0.506 -9.729 -0.975) 9.791 8.062 ( -2.311 2.385 1.051) 3.483 8.116 ( 2.730 -0.941 -0.852) 3.010 10.498 ( 0.092 17.406 3.639) 17.783 11.043 ( 7.337 32.670 -32.623) 46.748 12.001 ( 3.106 -1.192 2.440) 4.126 12.160 ( -10.541 -1.246 -4.120) 11.385 12.584 ( -1.623 -7.405 10.639) 13.064 12.768 ( 0.022 2.806 -2.067) 3.485 12.996 ( -4.524 1.838 13.689) 14.534 13.879 ( -9.339 -15.743 -22.717) 29.173 14.632 ( 7.535 -6.643 8.819) 13.368 15.046 ( -9.334 -5.246 -5.581) 12.074 15.436 ( 20.248 0.465 12.550) 23.827 15.733 ( -5.753 2.816 -3.697) 7.396 16.101 ( 2.229 0.693 0.638) 2.420 16.140 ( -1.718 -1.972 -0.708) 2.709 16.411 ( -11.783 -3.557 7.780) 14.561 16.693 ( 9.497 0.539 -2.898) 9.944 ======================= Grid point 110 (42/110) ======================= q-point: ( 0.10 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 9.604 -0.647 12.774) 15.995 0.735 ( 6.906 7.150 1.785) 10.099 0.803 ( 4.632 3.544 -3.862) 6.995 0.930 ( 2.156 5.614 -9.383) 11.145 1.417 ( 10.625 10.105 25.315) 29.255 1.632 ( -2.755 -1.104 -3.885) 4.889 1.774 ( -3.980 -2.346 -13.938) 14.683 1.857 ( -0.471 0.101 -8.736) 8.749 2.085 ( 4.550 -2.353 14.301) 15.191 2.134 ( -2.642 0.994 -3.908) 4.821 2.295 ( -3.227 3.965 -4.921) 7.096 2.346 ( 2.074 7.050 -1.479) 7.496 2.687 ( 0.245 0.846 3.104) 3.227 2.764 ( -0.637 1.922 -5.405) 5.772 2.972 ( -0.297 -3.426 5.811) 6.752 3.005 ( -2.368 2.050 -1.700) 3.564 3.148 ( -1.375 -1.557 1.856) 2.786 3.224 ( 0.680 0.171 -0.371) 0.793 3.435 ( -1.282 0.040 1.157) 1.727 3.487 ( -1.638 -0.257 -2.187) 2.744 3.695 ( -0.411 2.101 7.074) 7.391 3.863 ( -2.030 -1.668 -4.195) 4.950 3.993 ( -2.630 -1.103 0.299) 2.867 4.033 ( 0.316 0.313 0.131) 0.464 4.169 ( -0.380 -1.864 6.237) 6.520 4.198 ( -4.444 -2.877 -5.187) 7.411 4.436 ( -4.255 2.161 0.025) 4.772 4.512 ( -0.774 2.030 -1.047) 2.412 4.921 ( -3.719 2.777 -0.360) 4.655 4.946 ( -2.450 -0.159 -3.381) 4.178 5.104 ( -7.500 -1.619 -4.403) 8.847 5.179 ( -3.924 -16.464 12.397) 20.980 5.822 ( -7.846 -1.408 -4.377) 9.094 5.960 ( 1.165 -11.245 9.597) 14.829 6.131 ( -1.406 -0.281 -1.825) 2.321 6.212 ( 2.710 2.327 2.047) 4.117 6.443 ( -3.281 8.278 -2.314) 9.200 6.625 ( -7.330 6.532 -0.613) 9.837 6.977 ( 5.243 -4.752 -2.984) 7.679 7.042 ( 1.202 -1.345 -0.085) 1.806 7.100 ( 2.663 0.196 1.280) 2.961 7.247 ( 4.976 0.919 -3.047) 5.906 7.345 ( 1.192 1.085 3.177) 3.563 7.417 ( 1.351 -0.122 -2.633) 2.962 7.648 ( 1.604 -1.785 1.756) 2.974 7.707 ( 2.896 -0.363 -0.907) 3.057 7.848 ( -8.486 -6.324 -1.167) 10.647 7.918 ( 0.619 -10.129 0.832) 10.182 8.119 ( 6.686 -5.167 0.740) 8.482 8.238 ( 5.999 -3.985 0.499) 7.220 10.513 ( -1.888 17.866 3.871) 18.378 10.796 ( -7.414 29.238 -17.126) 34.686 11.921 ( -8.597 -1.346 -0.357) 8.709 12.094 ( 2.584 -1.912 6.060) 6.860 12.696 ( 2.564 -0.246 5.923) 6.459 12.708 ( -3.437 0.486 -3.657) 5.042 13.168 ( 7.941 2.791 21.302) 22.905 13.527 ( -9.085 -5.925 -17.593) 20.668 14.821 ( -6.253 -4.566 -7.971) 11.112 14.865 ( 5.654 -8.757 9.262) 13.944 15.465 ( -12.446 6.556 -6.379) 15.446 15.708 ( -3.894 -2.921 -3.599) 6.054 16.107 ( 2.467 0.126 2.256) 3.346 16.157 ( 3.332 1.677 3.985) 5.458 16.300 ( -2.681 1.804 8.257) 8.867 16.852 ( 4.280 -11.627 -4.562) 13.203 ======================= Grid point 111 (43/110) ======================= q-point: ( 0.20 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 13.057 -4.353 12.438) 18.551 0.724 ( 1.596 8.646 -10.848) 13.964 0.869 ( 8.091 5.739 -4.185) 10.766 1.135 ( 8.427 4.560 9.653) 13.601 1.320 ( -6.496 2.707 -26.301) 27.226 1.612 ( -1.045 -2.574 -2.249) 3.574 1.795 ( 1.045 4.690 0.318) 4.816 1.890 ( 2.282 4.034 11.670) 12.556 2.072 ( 4.194 -2.765 -1.905) 5.373 2.230 ( 1.051 0.466 4.149) 4.306 2.256 ( 0.314 2.261 3.023) 3.788 2.422 ( 2.834 3.090 6.414) 7.663 2.693 ( -1.716 0.614 0.136) 1.827 2.708 ( -0.545 0.377 -5.374) 5.415 2.899 ( -4.075 4.195 -4.262) 7.237 2.995 ( -1.869 -0.233 5.124) 5.459 3.145 ( 0.623 -2.284 -1.190) 2.650 3.261 ( 0.845 0.163 3.968) 4.060 3.406 ( -2.030 -0.583 0.360) 2.142 3.457 ( -0.377 0.009 0.169) 0.413 3.701 ( -1.934 0.218 -1.190) 2.281 3.777 ( -2.577 2.536 -3.953) 5.357 3.914 ( -3.893 -1.334 -4.556) 6.140 4.008 ( -2.646 -3.064 0.278) 4.059 4.110 ( -1.943 2.564 -2.396) 4.012 4.207 ( -1.427 0.046 6.401) 6.558 4.353 ( -4.902 3.245 1.490) 6.065 4.467 ( -2.958 -0.858 -2.565) 4.008 4.580 ( -12.059 5.349 -15.556) 20.396 4.857 ( -3.974 -0.446 -5.608) 6.887 5.049 ( -0.451 3.596 -0.525) 3.662 5.258 ( -3.451 -13.206 19.111) 23.485 5.711 ( -0.583 -0.172 -0.969) 1.144 5.978 ( -5.616 -2.024 -0.706) 6.011 6.038 ( -1.859 0.014 -4.443) 4.816 6.250 ( -0.655 -0.363 1.343) 1.538 6.394 ( -0.535 5.257 -0.534) 5.311 6.575 ( 0.688 6.054 1.998) 6.412 6.997 ( -0.042 -7.158 -2.481) 7.576 7.072 ( 1.646 -0.517 2.550) 3.079 7.174 ( 2.377 -3.401 2.239) 4.715 7.286 ( 1.130 -2.334 -1.319) 2.909 7.365 ( 0.796 3.190 -1.253) 3.519 7.428 ( -0.320 0.445 0.221) 0.591 7.628 ( -6.686 -4.097 1.582) 7.999 7.741 ( 0.040 -0.477 -0.620) 0.783 7.780 ( 4.977 -0.220 -0.301) 4.991 7.946 ( 4.181 -4.615 -3.296) 7.046 8.231 ( 4.564 -5.321 -0.845) 7.061 8.318 ( 1.842 -3.846 0.754) 4.330 10.486 ( -2.527 16.053 0.143) 16.252 10.592 ( -5.512 20.756 -2.939) 21.676 11.812 ( -3.329 -0.659 -0.503) 3.431 12.179 ( 0.728 -3.231 6.759) 7.527 12.599 ( -4.484 -5.277 -5.282) 8.710 12.769 ( 2.740 4.027 2.777) 5.607 13.246 ( -7.732 3.378 -11.424) 14.202 13.568 ( 12.219 -3.470 23.610) 26.809 14.630 ( -4.095 -2.437 -11.968) 12.882 15.041 ( 3.689 -4.102 10.564) 11.917 15.135 ( -13.454 2.549 -14.111) 19.663 15.500 ( -8.164 9.798 -1.913) 12.896 16.081 ( -1.351 -0.303 -3.672) 3.924 16.221 ( 0.630 -2.508 -2.144) 3.359 16.546 ( 9.471 -5.668 17.005) 20.273 16.785 ( -5.815 -10.944 -4.380) 13.144 ======================= Grid point 112 (44/110) ======================= q-point: ( 0.30 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 3.833 11.763 -5.505) 13.541 0.883 ( 0.717 7.116 -8.376) 11.014 1.010 ( 10.136 -2.089 9.600) 14.116 1.113 ( 5.569 1.657 -11.304) 12.709 1.308 ( 2.428 2.355 3.689) 5.005 1.619 ( 0.985 -2.404 -3.312) 4.209 1.686 ( -1.371 1.196 -5.481) 5.775 1.970 ( 0.558 9.969 1.448) 10.089 2.246 ( 2.015 -1.638 0.006) 2.596 2.274 ( 4.501 -2.679 11.372) 12.520 2.301 ( 1.102 1.228 3.076) 3.490 2.511 ( 0.425 -0.426 6.891) 6.917 2.609 ( -3.324 0.845 -7.272) 8.040 2.655 ( -2.064 1.297 -1.128) 2.686 2.836 ( -0.273 3.059 -1.111) 3.266 2.989 ( -2.692 1.740 3.424) 4.690 3.131 ( -0.276 -1.103 -3.349) 3.537 3.314 ( 1.523 0.206 4.388) 4.649 3.378 ( -0.819 -2.279 -0.215) 2.431 3.485 ( 1.619 1.076 3.140) 3.693 3.607 ( -3.771 -0.106 -6.230) 7.283 3.694 ( -1.381 2.544 -9.380) 9.816 3.816 ( -2.577 0.319 -2.745) 3.778 3.938 ( -2.887 0.063 -1.090) 3.086 4.076 ( -0.402 3.452 -0.433) 3.502 4.186 ( -3.217 0.208 -1.803) 3.694 4.265 ( -4.369 4.676 1.357) 6.541 4.347 ( -2.692 7.778 -1.537) 8.373 4.472 ( -0.598 -0.055 4.469) 4.509 4.708 ( -5.647 -0.113 -7.317) 9.244 5.028 ( -0.495 1.718 -1.960) 2.653 5.345 ( -2.773 -11.381 15.580) 19.492 5.711 ( -3.013 -1.242 -6.550) 7.316 5.817 ( -1.116 2.716 -0.073) 2.938 6.027 ( 0.251 0.648 0.527) 0.872 6.211 ( -3.037 -1.451 -2.213) 4.028 6.390 ( -0.623 0.937 1.665) 2.010 6.636 ( 3.127 7.190 1.125) 7.921 6.957 ( -1.884 -8.307 -1.669) 8.680 7.139 ( 2.852 -1.528 2.620) 4.163 7.209 ( -0.600 -2.967 2.095) 3.681 7.280 ( -0.293 -3.641 -2.087) 4.207 7.358 ( -1.516 3.836 -1.386) 4.351 7.404 ( -0.293 -1.342 -1.211) 1.832 7.535 ( -4.339 -1.830 4.112) 6.252 7.732 ( -0.083 0.217 -1.793) 1.808 7.893 ( 5.816 0.419 0.639) 5.866 8.022 ( 5.413 -3.322 -2.019) 6.664 8.284 ( 2.229 -2.884 -1.620) 3.989 8.328 ( -1.078 -1.876 0.705) 2.276 10.435 ( -1.382 13.047 -2.093) 13.285 10.512 ( -3.258 15.723 1.567) 16.133 11.770 ( -1.289 -0.833 0.467) 1.604 12.238 ( -0.025 -7.177 7.343) 10.268 12.446 ( -5.356 -7.171 -8.735) 12.506 12.857 ( 3.397 6.378 3.383) 7.979 13.052 ( -4.768 12.336 -5.878) 14.473 13.929 ( 8.376 -11.911 10.610) 18.016 14.513 ( -0.430 1.613 -2.667) 3.146 14.820 ( -7.536 3.365 -10.823) 13.610 15.168 ( 1.129 4.144 8.328) 9.370 15.385 ( -4.452 6.536 0.948) 7.965 16.035 ( 0.866 -1.826 -4.842) 5.247 16.206 ( -0.290 -1.937 -1.555) 2.501 16.572 ( -9.095 -9.812 -3.765) 13.899 16.802 ( 3.397 -9.991 8.325) 13.441 ======================= Grid point 113 (45/110) ======================= q-point: ( 0.40 0.11 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 4.233 10.741 -1.567) 11.651 0.909 ( 3.998 13.512 6.360) 15.460 1.147 ( 4.830 -2.028 -3.612) 6.363 1.232 ( 3.732 -3.517 -0.528) 5.155 1.410 ( 5.061 2.159 4.964) 7.411 1.472 ( -4.596 -1.896 -4.804) 6.914 1.752 ( 2.251 0.552 1.189) 2.605 1.984 ( 0.812 9.734 -0.969) 9.816 2.243 ( -0.172 -2.479 -3.155) 4.016 2.312 ( 0.197 0.658 -0.105) 0.695 2.400 ( 0.838 -3.020 2.426) 3.964 2.456 ( -3.648 2.139 -5.833) 7.205 2.597 ( -1.587 1.022 2.364) 3.025 2.623 ( 0.441 -0.886 4.925) 5.023 2.841 ( 0.692 3.515 0.336) 3.599 2.945 ( -2.770 2.032 -0.961) 3.567 3.101 ( -0.072 0.117 -1.570) 1.577 3.372 ( 0.801 -1.435 -0.024) 1.644 3.396 ( 3.019 -1.141 2.092) 3.846 3.469 ( -3.447 -0.545 -6.642) 7.503 3.503 ( -1.755 1.303 -1.355) 2.572 3.681 ( 3.479 1.361 1.067) 3.885 3.769 ( -0.033 2.631 1.606) 3.083 3.925 ( -0.390 3.716 1.160) 3.912 4.074 ( -0.007 1.457 -0.359) 1.500 4.120 ( -1.243 0.045 -0.543) 1.357 4.195 ( -3.171 6.501 -0.967) 7.297 4.320 ( -1.440 7.172 1.944) 7.569 4.467 ( -3.093 -0.074 -5.862) 6.628 4.630 ( 1.087 0.278 7.973) 8.051 5.005 ( -0.179 0.628 -2.635) 2.714 5.287 ( -8.493 -5.936 -6.322) 12.138 5.640 ( 1.718 -3.461 4.352) 5.820 5.884 ( 1.646 0.446 2.966) 3.422 6.042 ( -0.520 0.570 1.816) 1.973 6.138 ( -1.242 -1.067 0.386) 1.682 6.381 ( -1.234 -1.742 -0.303) 2.156 6.677 ( 1.281 8.464 -2.798) 9.006 6.925 ( -0.683 -8.111 1.238) 8.233 7.181 ( -0.971 -4.054 0.369) 4.185 7.217 ( 1.135 -1.425 0.252) 1.840 7.241 ( -1.428 -0.592 -4.123) 4.403 7.296 ( -1.730 -0.561 0.227) 1.833 7.421 ( 1.430 -1.522 -0.203) 2.098 7.515 ( -2.066 -0.212 5.129) 5.534 7.718 ( 0.153 0.595 -1.697) 1.804 7.993 ( 3.560 0.428 1.275) 3.806 8.101 ( 4.208 -3.128 -1.846) 5.558 8.286 ( -2.576 -2.073 1.517) 3.638 8.313 ( 1.231 0.536 -2.200) 2.577 10.410 ( -0.066 11.682 -0.831) 11.712 10.474 ( -1.885 12.813 0.573) 12.963 11.767 ( -0.132 -1.176 2.150) 2.454 12.216 ( -5.969 -14.627 -3.711) 16.228 12.375 ( 3.389 -0.158 3.079) 4.582 12.903 ( 0.055 5.895 -2.849) 6.547 12.997 ( 0.228 15.383 3.842) 15.857 13.973 ( -0.553 -10.899 -15.186) 18.701 14.569 ( 0.985 -0.580 6.385) 6.487 14.744 ( 2.579 4.052 8.038) 9.364 15.188 ( -2.529 8.280 -0.347) 8.664 15.323 ( -4.249 2.691 3.068) 5.891 16.075 ( 6.325 -4.759 -0.973) 7.975 16.197 ( 0.464 -1.504 -0.315) 1.605 16.378 ( -8.083 -5.729 -2.137) 10.135 16.848 ( -1.504 -12.190 -1.030) 12.325 ======================= Grid point 114 (46/110) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 3.887 9.984 6.692) 12.633 1.067 ( 2.573 6.365 10.191) 12.288 1.183 ( -1.360 -1.259 -1.898) 2.652 1.229 ( -0.526 -2.851 -3.575) 4.602 1.310 ( -0.346 1.763 -2.455) 3.042 1.623 ( 4.724 -1.520 4.000) 6.374 1.747 ( -0.928 0.684 0.316) 1.195 1.960 ( -1.736 7.076 -3.566) 8.112 2.214 ( 0.096 -1.815 -2.944) 3.460 2.288 ( -2.133 1.294 -3.146) 4.015 2.354 ( -3.241 1.240 -0.897) 3.584 2.386 ( -0.959 2.696 -3.986) 4.907 2.621 ( 3.908 -0.005 3.213) 5.059 2.661 ( -1.463 -0.661 3.228) 3.605 2.848 ( -1.723 5.288 -0.718) 5.608 2.888 ( 0.225 0.368 -2.521) 2.557 3.122 ( 1.768 1.129 2.337) 3.140 3.349 ( -3.552 -0.486 -5.560) 6.616 3.388 ( 1.443 -1.500 -1.494) 2.563 3.397 ( -1.640 -0.783 -1.293) 2.231 3.570 ( 4.893 0.612 5.617) 7.474 3.739 ( 2.070 -1.111 2.461) 3.403 3.857 ( 1.678 3.917 2.736) 5.064 3.900 ( 0.238 3.058 1.204) 3.295 4.043 ( -1.461 2.483 -2.943) 4.119 4.109 ( -1.858 5.573 -3.647) 6.914 4.180 ( 1.620 0.730 3.532) 3.954 4.290 ( 0.139 0.550 -3.702) 3.745 4.419 ( 1.205 5.298 5.498) 7.730 4.768 ( 3.714 -0.226 10.396) 11.041 4.940 ( -3.814 1.967 -11.302) 12.089 5.067 ( -4.245 -3.662 -7.368) 9.259 5.756 ( 3.981 -4.167 5.662) 8.079 5.857 ( -3.605 -0.044 -1.765) 4.014 6.053 ( 0.933 -2.392 4.114) 4.850 6.206 ( 2.521 -0.234 5.874) 6.397 6.341 ( -1.112 -1.525 -1.627) 2.492 6.635 ( -1.301 7.573 -6.756) 10.232 6.958 ( 1.570 -5.708 4.101) 7.201 7.154 ( -2.247 -4.584 -2.742) 5.795 7.166 ( -1.205 1.674 -2.332) 3.113 7.209 ( 0.662 -5.129 -2.957) 5.958 7.331 ( 1.950 0.100 2.965) 3.550 7.426 ( -0.464 -1.532 -1.473) 2.175 7.532 ( -0.950 -0.176 5.969) 6.046 7.713 ( 0.768 0.573 -1.816) 2.054 8.037 ( -0.247 0.170 1.553) 1.582 8.148 ( 2.652 -3.008 -2.975) 4.993 8.234 ( -3.928 -1.328 2.095) 4.646 8.328 ( 1.773 1.208 -1.657) 2.711 10.418 ( 1.072 12.245 0.422) 12.299 10.447 ( -0.940 11.034 -0.673) 11.095 11.799 ( 0.853 -1.341 4.324) 4.607 12.076 ( -3.167 -7.865 -7.405) 11.258 12.507 ( 4.149 -5.938 8.797) 11.396 12.849 ( -1.885 3.672 -5.527) 6.898 13.081 ( 3.201 13.716 8.740) 16.576 13.750 ( -5.556 -2.372 -22.761) 23.549 14.667 ( 3.988 -4.521 9.944) 11.629 14.925 ( 3.854 3.974 13.423) 14.520 15.088 ( -4.233 3.139 -5.943) 7.943 15.266 ( -2.211 7.192 -1.306) 7.637 16.191 ( 1.951 -4.166 1.650) 4.887 16.241 ( -4.001 -2.903 -0.160) 4.946 16.286 ( 8.235 -6.153 5.583) 11.698 16.740 ( -5.267 -11.538 -9.458) 15.822 ======================= Grid point 115 (47/110) ======================= q-point: (-0.40 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -5.281 1.944 2.653) 6.222 0.979 ( -5.066 3.011 0.420) 5.909 1.090 ( -5.699 3.252 -3.882) 7.624 1.225 ( 0.392 -2.160 2.453) 3.292 1.463 ( 6.705 2.304 9.074) 11.515 1.534 ( -4.749 1.688 -12.687) 13.651 1.836 ( 2.128 0.748 4.538) 5.068 1.893 ( -0.646 3.723 -1.599) 4.103 2.149 ( -5.050 0.731 -3.526) 6.202 2.241 ( -0.206 -0.632 1.020) 1.217 2.301 ( -1.058 2.708 1.648) 3.342 2.395 ( 2.439 3.844 0.948) 4.650 2.618 ( -2.410 0.666 -4.128) 4.826 2.748 ( 4.391 0.468 2.785) 5.221 2.793 ( -0.438 2.767 -0.913) 2.946 2.903 ( 0.975 1.970 0.123) 2.201 3.188 ( 2.001 1.357 4.478) 5.089 3.237 ( -3.607 -1.288 -5.400) 6.621 3.369 ( -0.359 -1.762 -0.249) 1.815 3.410 ( 1.525 0.255 -0.227) 1.563 3.681 ( 0.107 -1.198 0.562) 1.327 3.736 ( 0.523 1.837 -2.394) 3.062 3.908 ( 1.036 1.955 1.825) 2.868 3.931 ( 2.160 -1.531 1.593) 3.090 4.019 ( -1.342 4.793 -5.051) 7.092 4.051 ( 3.188 6.790 0.980) 7.565 4.222 ( 0.832 -1.130 0.584) 1.520 4.309 ( 3.372 -0.301 -2.770) 4.374 4.597 ( 7.474 4.197 14.961) 17.243 4.719 ( -4.487 3.151 -16.216) 17.118 4.906 ( 2.919 -1.315 7.573) 8.222 4.997 ( -0.486 -1.079 -4.816) 4.959 5.753 ( -3.056 -1.142 -0.436) 3.292 5.881 ( 3.554 -1.528 1.279) 4.075 6.132 ( 1.649 -4.336 7.099) 8.480 6.206 ( -1.774 -3.955 -4.347) 6.139 6.393 ( 2.950 3.706 6.859) 8.335 6.542 ( -1.728 6.645 -7.962) 10.513 7.033 ( 2.101 -2.871 4.899) 6.055 7.071 ( -2.352 -1.743 -4.427) 5.308 7.155 ( 0.247 -4.061 -0.090) 4.069 7.225 ( 2.865 -4.825 -1.775) 5.886 7.381 ( 0.561 0.295 1.318) 1.462 7.391 ( -0.490 -1.146 -1.880) 2.256 7.563 ( -0.725 -0.531 5.429) 5.503 7.716 ( 1.230 0.193 -2.427) 2.727 8.009 ( -3.802 -0.127 1.559) 4.111 8.145 ( -0.034 -0.485 -4.651) 4.676 8.181 ( -3.321 -4.134 2.518) 5.870 8.350 ( 1.302 1.132 -0.712) 1.867 10.424 ( -0.225 11.256 -1.367) 11.340 10.461 ( 2.630 13.578 1.107) 13.875 11.871 ( 1.987 -1.511 7.205) 7.625 11.984 ( -0.513 -4.762 -7.295) 8.727 12.645 ( 2.617 -5.178 7.943) 9.836 12.750 ( -2.651 -2.336 -7.356) 8.161 13.259 ( 6.048 9.539 13.117) 17.310 13.450 ( -6.991 5.977 -19.696) 21.738 14.846 ( 2.291 -3.895 9.075) 10.138 14.925 ( -1.644 -5.080 -5.832) 7.907 15.101 ( 2.030 7.552 7.424) 10.783 15.253 ( 4.220 9.954 -1.446) 10.908 16.167 ( -2.510 -2.344 0.987) 3.573 16.258 ( 2.533 -2.975 2.780) 4.795 16.490 ( -5.763 -10.524 -10.005) 15.623 16.547 ( 6.631 -9.601 3.113) 12.077 ======================= Grid point 116 (48/110) ======================= q-point: (-0.30 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -13.670 -4.004 -3.094) 14.577 0.826 ( -10.985 5.589 -9.624) 15.637 1.070 ( -0.643 3.937 6.850) 7.927 1.244 ( -3.321 1.923 2.024) 4.339 1.298 ( -5.080 7.474 -10.055) 13.519 1.567 ( -1.210 -0.336 -2.405) 2.713 1.841 ( 0.014 2.862 -5.889) 6.548 1.919 ( -0.635 2.203 1.650) 2.824 2.096 ( 1.283 -1.041 7.487) 7.667 2.239 ( -1.236 -1.042 3.363) 3.731 2.352 ( 2.212 2.390 5.487) 6.381 2.479 ( 2.526 3.959 7.038) 8.461 2.527 ( -0.398 1.017 -9.849) 9.909 2.747 ( -1.321 1.133 1.258) 2.147 2.869 ( 3.550 1.131 -2.965) 4.762 2.921 ( 0.158 2.548 3.153) 4.057 3.126 ( -3.271 -2.295 -5.152) 6.520 3.269 ( 1.763 0.897 6.390) 6.689 3.383 ( 1.953 -1.370 -0.358) 2.412 3.441 ( 1.557 0.973 0.753) 1.984 3.582 ( -3.417 3.103 -7.059) 8.434 3.752 ( -0.209 -4.506 -4.213) 6.173 3.884 ( 0.528 0.929 -2.975) 3.161 3.961 ( 0.858 3.228 -3.628) 4.931 4.044 ( 1.725 3.808 2.310) 4.777 4.159 ( 4.889 4.401 4.153) 7.779 4.265 ( 3.928 -3.640 2.489) 5.905 4.327 ( 2.509 -0.002 -7.995) 8.380 4.561 ( -0.328 5.795 -8.999) 10.708 4.847 ( 4.607 2.757 9.095) 10.561 4.905 ( -1.279 0.073 -7.123) 7.237 5.084 ( 7.853 -1.643 11.420) 13.956 5.727 ( 0.196 -2.443 0.109) 2.453 5.911 ( -1.102 -1.901 -0.866) 2.362 6.155 ( 0.709 -0.275 -1.033) 1.283 6.178 ( -1.316 -3.840 -1.146) 4.217 6.478 ( 1.427 4.474 -4.043) 6.196 6.494 ( 1.165 5.671 6.279) 8.540 7.006 ( -1.011 -2.886 -3.045) 4.315 7.099 ( 0.796 1.210 4.204) 4.447 7.168 ( 0.245 -5.788 0.647) 5.830 7.270 ( 2.094 -4.006 -0.721) 4.577 7.367 ( 0.619 -1.726 -0.275) 1.854 7.410 ( 1.807 -1.812 -1.736) 3.093 7.594 ( 0.208 -0.325 4.415) 4.431 7.719 ( 1.116 -0.351 -2.481) 2.743 7.926 ( -6.078 -0.160 1.887) 6.367 8.078 ( -1.923 -1.168 -7.689) 8.011 8.140 ( -3.604 -5.376 3.388) 7.305 8.357 ( -0.514 0.296 -0.127) 0.607 10.416 ( 0.580 11.674 -1.356) 11.767 10.545 ( 5.661 18.187 0.787) 19.064 11.933 ( 0.961 -3.409 -6.616) 7.505 11.994 ( 3.259 -1.955 11.238) 11.863 12.601 ( -3.780 -7.872 -9.928) 13.222 12.756 ( 1.336 0.020 5.866) 6.016 13.199 ( -5.316 11.783 -10.553) 16.687 13.520 ( 8.624 2.391 14.988) 17.457 14.745 ( -3.580 -6.407 -9.292) 11.841 14.957 ( -2.608 -0.518 0.915) 2.811 15.200 ( 6.502 9.715 1.261) 11.758 15.442 ( 11.331 5.939 7.284) 14.721 16.119 ( -6.627 -5.350 -8.775) 12.229 16.185 ( -6.593 -1.867 -7.313) 10.021 16.340 ( 2.624 -4.284 5.458) 7.418 16.772 ( 7.713 -14.049 6.658) 17.355 ======================= Grid point 117 (49/110) ======================= q-point: (-0.20 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( -12.239 -0.165 0.793) 12.265 0.537 ( -10.724 10.685 -5.066) 15.964 0.964 ( -11.149 16.875 -9.548) 22.366 1.115 ( -2.033 -1.937 1.560) 3.212 1.328 ( 0.620 3.768 5.834) 6.973 1.461 ( -3.165 -1.238 -4.893) 5.957 1.717 ( -5.054 0.560 -9.796) 11.037 1.924 ( 0.155 9.094 2.029) 9.319 2.173 ( -0.820 -2.498 2.688) 3.760 2.334 ( 5.781 -4.519 7.876) 10.764 2.412 ( 0.428 2.747 -1.062) 2.976 2.488 ( 3.104 4.341 2.320) 5.819 2.603 ( 3.088 -0.870 8.813) 9.379 2.742 ( -1.039 0.743 -0.838) 1.527 2.843 ( 0.662 1.717 -4.829) 5.168 2.947 ( -0.639 2.285 0.773) 2.496 3.047 ( -1.756 0.133 -1.525) 2.329 3.351 ( 0.817 1.350 6.940) 7.117 3.411 ( 1.179 1.068 -2.921) 3.327 3.478 ( 0.090 1.453 2.135) 2.584 3.503 ( 1.957 0.383 -3.471) 4.003 3.648 ( -3.913 -2.269 -12.103) 12.921 3.874 ( 3.054 0.497 -3.852) 4.941 4.001 ( 2.795 1.137 0.327) 3.035 4.037 ( -1.116 3.575 -0.153) 3.748 4.236 ( 2.060 0.395 -5.159) 5.569 4.327 ( 3.651 4.022 -0.737) 5.482 4.413 ( 5.660 -2.423 5.986) 8.587 4.537 ( 1.209 4.675 -2.689) 5.527 4.817 ( -0.367 2.014 -7.445) 7.722 4.933 ( 1.096 2.686 2.610) 3.902 5.383 ( 9.568 -3.638 14.742) 17.947 5.709 ( -1.486 -6.219 -4.080) 7.584 5.883 ( 0.015 1.047 -0.086) 1.051 6.089 ( -3.091 -0.239 -4.737) 5.662 6.200 ( 2.403 2.306 1.812) 3.792 6.493 ( 1.509 3.491 -1.705) 4.167 6.549 ( 0.484 5.776 3.248) 6.644 6.990 ( 0.956 -4.172 -1.247) 4.458 7.134 ( -0.248 3.148 3.680) 4.849 7.154 ( -1.515 -3.540 -0.431) 3.875 7.277 ( -0.968 -1.840 -0.824) 2.236 7.369 ( -0.958 -4.071 -0.829) 4.263 7.457 ( 4.141 -4.231 -0.595) 5.950 7.644 ( 1.149 -0.992 2.650) 3.054 7.731 ( 2.458 -0.901 -1.127) 2.850 7.821 ( -5.959 -1.344 1.980) 6.422 7.941 ( -5.032 -5.733 -9.975) 12.558 8.101 ( -3.489 -3.034 3.807) 5.989 8.320 ( -3.542 -1.150 0.174) 3.728 10.428 ( 1.400 13.229 -0.414) 13.309 10.704 ( 12.287 25.925 -2.956) 28.841 11.914 ( 1.886 -2.370 -4.607) 5.513 12.166 ( 3.582 -1.428 12.727) 13.299 12.465 ( -1.842 -11.422 -5.380) 12.759 12.809 ( 0.099 3.597 3.841) 5.263 13.072 ( -3.085 11.983 -2.566) 12.637 13.817 ( 10.703 -8.833 11.775) 18.200 14.641 ( -0.909 -3.522 -2.735) 4.551 14.845 ( -4.469 1.096 -10.002) 11.010 15.348 ( 7.755 16.300 1.539) 18.116 15.636 ( -0.239 2.688 -13.629) 13.893 15.852 ( -1.377 -3.287 4.248) 5.545 16.165 ( 0.051 -0.930 1.164) 1.491 16.437 ( 1.217 -6.476 8.923) 11.092 16.906 ( 2.199 -16.136 0.844) 16.307 ======================= Grid point 118 (50/110) ======================= q-point: (-0.10 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( -7.771 3.500 7.821) 11.567 0.523 ( 2.417 17.290 16.414) 23.962 0.684 ( -8.706 22.610 -1.578) 24.280 1.018 ( -4.233 -4.009 -14.468) 15.599 1.326 ( -0.074 4.132 -3.306) 5.292 1.463 ( -2.641 -0.544 2.390) 3.604 1.605 ( 2.370 1.476 6.813) 7.363 1.944 ( -0.191 9.368 1.165) 9.442 2.160 ( -0.972 -3.232 -0.689) 3.445 2.366 ( 0.124 2.258 -4.541) 5.073 2.448 ( -1.094 -4.596 -6.496) 8.033 2.605 ( -1.571 -0.436 -1.774) 2.410 2.650 ( 1.007 -3.747 -1.576) 4.188 2.713 ( 4.604 0.093 4.805) 6.656 2.895 ( -3.315 -0.291 -0.477) 3.362 2.983 ( 1.876 5.471 8.457) 10.246 3.054 ( 7.522 2.013 -2.194) 8.090 3.402 ( 0.058 1.196 -3.792) 3.977 3.440 ( -1.603 2.250 -2.432) 3.681 3.497 ( 8.644 0.870 18.273) 20.233 3.532 ( 2.279 0.442 7.966) 8.297 3.555 ( 1.135 -0.848 -1.458) 2.033 3.938 ( 4.341 1.669 -0.658) 4.697 4.037 ( 2.808 0.084 1.351) 3.117 4.065 ( 2.133 3.685 0.392) 4.276 4.239 ( 3.481 -1.069 4.087) 5.474 4.396 ( 2.478 0.993 0.204) 2.677 4.511 ( 1.967 1.646 -0.461) 2.606 4.534 ( -0.168 3.075 -1.627) 3.482 4.811 ( 3.030 3.513 0.572) 4.674 4.973 ( 1.292 3.599 2.379) 4.503 5.532 ( -1.444 -12.320 0.974) 12.443 5.722 ( 1.939 0.151 1.286) 2.332 5.839 ( -0.602 2.027 1.157) 2.410 6.094 ( 3.636 0.330 1.278) 3.868 6.243 ( 0.053 3.061 1.690) 3.497 6.494 ( 0.700 3.667 -2.036) 4.253 6.585 ( 3.489 8.111 -0.733) 8.860 6.997 ( 0.212 -2.733 -1.573) 3.160 7.104 ( -3.086 -2.971 -1.297) 4.476 7.171 ( 1.036 2.892 3.029) 4.314 7.215 ( -4.279 -0.017 -1.497) 4.533 7.304 ( -3.613 -4.659 -5.191) 7.855 7.524 ( 1.168 -0.786 -0.476) 1.486 7.649 ( -3.755 -1.423 0.778) 4.090 7.674 ( -6.424 -12.149 2.783) 14.022 7.756 ( -1.159 -0.034 -0.722) 1.366 7.894 ( 6.376 -5.083 1.079) 8.225 8.068 ( -1.939 -0.183 1.194) 2.284 8.223 ( -6.721 -2.617 0.307) 7.219 10.461 ( 1.473 15.432 1.495) 15.574 10.951 ( 20.303 32.505 -17.831) 42.270 11.937 ( 3.045 -1.282 -1.459) 3.612 12.237 ( -0.670 2.963 1.250) 3.285 12.538 ( 3.915 -18.610 9.507) 21.261 12.802 ( -2.051 4.389 -1.777) 5.160 13.026 ( -3.778 2.796 5.300) 7.084 14.041 ( 5.680 -24.581 -2.254) 25.329 14.606 ( -2.792 6.111 -13.811) 15.359 14.850 ( 13.543 0.870 20.539) 24.618 15.334 ( -8.377 7.381 -13.235) 17.315 15.577 ( 11.622 11.869 3.272) 16.930 16.007 ( 6.091 -0.654 3.763) 7.190 16.171 ( -0.504 -1.415 0.575) 1.608 16.499 ( -3.949 -7.895 10.416) 13.653 16.816 ( -9.176 -10.748 -8.003) 16.241 ======================= Grid point 119 (51/110) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -1.033 9.254 9.715) 13.457 0.855 ( 0.091 11.115 -4.072) 11.837 0.869 ( -1.344 10.375 -4.463) 11.374 1.273 ( -5.433 6.997 -11.193) 14.274 1.347 ( 10.873 18.443 12.746) 24.916 1.524 ( 3.144 0.575 7.305) 7.974 1.820 ( 3.818 0.310 7.814) 8.702 1.849 ( -3.414 -4.030 -4.253) 6.781 2.126 ( -7.051 -3.936 -11.470) 14.027 2.223 ( -1.368 2.325 -3.291) 4.255 2.403 ( 1.770 3.977 -2.495) 5.017 2.517 ( -2.282 0.473 -3.315) 4.052 2.653 ( 2.196 -1.361 1.716) 3.102 2.808 ( 0.376 -0.992 -3.302) 3.469 2.830 ( -0.293 -2.493 6.924) 7.365 3.047 ( -0.377 -0.494 -4.300) 4.345 3.156 ( -0.382 3.647 3.358) 4.972 3.328 ( -2.828 3.124 -4.834) 6.413 3.457 ( -0.396 1.166 0.947) 1.554 3.519 ( -0.220 -1.427 -1.367) 1.988 3.666 ( 1.356 2.789 7.370) 7.996 3.702 ( 4.748 -5.429 9.250) 11.729 3.970 ( -0.109 -2.779 -4.236) 5.067 4.094 ( 0.003 2.461 -1.995) 3.168 4.141 ( -0.957 5.221 2.227) 5.757 4.271 ( -1.741 -0.980 -5.631) 5.975 4.524 ( 2.769 -1.127 11.105) 11.501 4.558 ( 3.793 -1.330 7.156) 8.207 4.646 ( -0.060 6.496 -1.245) 6.615 4.997 ( 2.766 4.175 3.379) 6.042 5.021 ( -0.203 -2.106 -2.520) 3.290 5.269 ( -3.439 -5.996 -1.627) 7.101 5.670 ( 0.356 -1.168 1.430) 1.880 5.936 ( -2.791 -3.237 1.100) 4.413 6.089 ( 2.692 0.540 2.771) 3.901 6.280 ( -1.538 2.801 -2.567) 4.099 6.609 ( 1.716 4.361 1.304) 4.864 6.827 ( 5.721 2.191 -6.458) 8.901 6.917 ( -7.571 0.751 0.706) 7.640 6.992 ( 0.672 0.210 -1.791) 1.924 7.145 ( -0.452 0.392 -0.775) 0.979 7.200 ( 0.952 -0.245 -2.185) 2.395 7.287 ( 1.066 0.172 3.313) 3.485 7.380 ( -2.632 -5.074 1.598) 5.936 7.516 ( 3.157 -5.512 3.657) 7.329 7.591 ( -0.681 -3.285 2.632) 4.264 7.723 ( -1.259 -12.865 -1.723) 13.041 7.730 ( 0.397 -1.164 -1.785) 2.168 8.136 ( -1.484 4.222 0.555) 4.510 8.164 ( 1.975 3.634 -0.522) 4.169 10.875 ( 0.231 16.813 6.005) 17.855 11.434 ( 3.952 9.072 -20.663) 22.910 11.950 ( 1.165 -3.942 2.418) 4.769 12.075 ( -9.382 -7.487 -2.521) 12.266 12.443 ( 4.242 -3.207 11.858) 12.996 12.863 ( -4.852 3.749 -6.334) 8.816 13.144 ( 3.415 9.785 7.687) 12.903 13.548 ( 0.717 -10.477 -4.469) 11.413 14.583 ( 0.364 0.002 -1.978) 2.011 14.955 ( -4.978 -2.381 -4.950) 7.413 15.384 ( 10.283 -5.854 5.130) 12.897 15.734 ( -4.722 -5.157 -10.701) 12.783 16.073 ( 2.042 -2.306 1.742) 3.539 16.114 ( -0.167 -1.030 -1.085) 1.506 16.378 ( -3.049 0.864 12.753) 13.141 16.670 ( 0.131 -2.213 0.173) 2.224 ======================= Grid point 120 (52/110) ======================= q-point: ( 0.10 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 2.039 11.275 8.027) 13.990 0.884 ( 6.468 6.367 -9.540) 13.167 0.952 ( 5.789 9.535 10.588) 15.380 1.102 ( -1.369 10.695 -8.231) 13.565 1.612 ( -1.753 0.067 -1.627) 2.392 1.628 ( 2.421 3.428 5.200) 6.682 1.740 ( 4.548 4.252 4.997) 7.984 1.884 ( -2.104 2.958 -12.321) 12.845 2.030 ( 4.625 -2.110 12.206) 13.222 2.140 ( -3.337 -0.249 -8.090) 8.755 2.389 ( -2.172 3.980 -1.448) 4.760 2.479 ( 1.415 4.351 -2.150) 5.056 2.697 ( 1.110 -0.395 0.832) 1.443 2.787 ( -0.325 -0.188 -2.732) 2.758 2.876 ( 0.507 -4.554 4.224) 6.232 3.019 ( -0.116 -1.976 -2.086) 2.876 3.156 ( -2.957 3.564 4.548) 6.491 3.263 ( -0.836 3.589 -1.913) 4.152 3.453 ( -1.242 1.258 0.682) 1.895 3.487 ( -1.368 0.136 -1.082) 1.749 3.729 ( -0.451 0.892 3.526) 3.665 3.795 ( 0.356 -4.365 3.121) 5.378 3.958 ( 0.535 -2.754 2.293) 3.623 4.016 ( -3.489 -1.911 -8.642) 9.514 4.153 ( -0.455 2.449 3.284) 4.122 4.213 ( 0.008 4.926 -2.012) 5.321 4.500 ( -4.077 4.218 2.659) 6.441 4.587 ( -2.883 3.531 -0.926) 4.652 4.805 ( 2.823 -8.155 13.096) 15.683 4.918 ( -3.134 -2.800 -9.119) 10.041 5.058 ( -9.627 2.563 -5.633) 11.445 5.128 ( 1.285 2.155 5.377) 5.933 5.767 ( -1.071 -3.329 4.266) 5.516 5.820 ( -0.519 -3.762 -0.588) 3.843 6.149 ( -1.692 1.798 0.020) 2.469 6.259 ( 1.926 1.945 -0.307) 2.755 6.624 ( -1.994 7.997 -0.681) 8.270 6.697 ( -6.437 1.335 -3.019) 7.234 6.900 ( 0.066 -2.823 -1.194) 3.066 6.980 ( 0.074 -3.150 0.289) 3.164 7.154 ( 0.934 3.202 0.196) 3.342 7.222 ( 1.337 -1.688 -1.198) 2.464 7.338 ( 1.970 -2.501 2.694) 4.170 7.398 ( 2.156 -1.826 -0.514) 2.872 7.590 ( -1.494 -4.922 0.767) 5.201 7.642 ( 5.736 -6.660 2.008) 9.016 7.669 ( -0.817 -7.338 0.033) 7.383 7.746 ( 2.774 -3.179 -1.524) 4.486 8.137 ( 1.971 3.731 -0.331) 4.232 8.229 ( 3.873 1.842 0.190) 4.293 10.898 ( -3.338 17.266 6.781) 18.848 11.224 ( -8.127 12.564 -16.200) 22.053 11.875 ( -6.056 -3.301 0.118) 6.898 12.026 ( 0.619 -4.832 4.252) 6.466 12.627 ( 2.958 -5.333 11.764) 13.251 12.682 ( -5.291 -3.724 -6.890) 9.451 13.340 ( 8.375 12.009 7.777) 16.578 13.482 ( -0.209 4.884 -11.076) 12.107 14.694 ( 5.547 -5.705 11.195) 13.735 14.769 ( -4.958 -2.390 -12.350) 13.521 15.490 ( -10.180 -4.401 -11.810) 16.201 15.600 ( 5.579 -7.666 3.777) 10.206 16.096 ( 0.743 -0.978 -0.165) 1.239 16.131 ( 1.901 -2.968 -0.951) 3.651 16.377 ( -6.604 3.811 11.904) 14.137 16.646 ( -2.629 -6.864 -0.232) 7.354 ======================= Grid point 121 (53/110) ======================= q-point: ( 0.20 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 10.546 4.931 10.420) 15.624 0.878 ( 3.382 6.217 -11.369) 13.392 1.084 ( 4.037 13.041 1.087) 13.694 1.215 ( 6.807 3.427 9.512) 12.189 1.423 ( -5.117 6.320 -16.428) 18.331 1.578 ( -1.068 -0.405 -3.706) 3.878 1.857 ( 0.188 1.263 -1.462) 1.941 2.002 ( 4.926 0.357 0.799) 5.003 2.038 ( 3.139 5.607 7.644) 9.986 2.201 ( 4.622 -0.690 7.869) 9.152 2.328 ( -2.403 2.600 -2.196) 4.166 2.500 ( 0.843 3.670 0.290) 3.777 2.706 ( -0.652 0.851 0.029) 1.072 2.736 ( -1.516 0.788 -5.407) 5.670 2.914 ( 0.242 -3.917 2.542) 4.676 2.985 ( -1.525 0.260 -2.972) 3.350 3.140 ( -1.621 1.199 4.010) 4.488 3.260 ( -0.039 1.183 2.232) 2.526 3.410 ( -2.739 0.171 -0.041) 2.745 3.482 ( 0.859 2.359 0.966) 2.690 3.695 ( -2.542 -0.462 -2.675) 3.719 3.800 ( -1.493 -1.644 -3.220) 3.911 3.876 ( -2.682 -1.886 -4.045) 5.206 4.003 ( 0.187 3.151 3.536) 4.740 4.176 ( -0.693 -2.018 4.580) 5.052 4.209 ( 0.304 6.844 -1.885) 7.105 4.442 ( -4.904 4.553 3.677) 7.635 4.487 ( -4.761 2.517 -5.464) 7.671 4.688 ( -5.564 5.350 -10.984) 13.425 4.855 ( -6.129 -2.987 -1.449) 6.970 4.974 ( 1.341 -4.325 7.587) 8.835 5.163 ( -2.615 1.749 4.336) 5.357 5.698 ( -0.553 -0.888 -0.945) 1.409 5.918 ( 0.706 -3.616 5.971) 7.016 6.053 ( -3.931 1.709 -6.085) 7.443 6.266 ( -2.135 1.108 -0.186) 2.413 6.505 ( -5.344 3.953 -2.354) 7.052 6.678 ( 1.691 3.713 2.254) 4.662 6.876 ( -0.862 -4.110 -2.209) 4.745 7.006 ( 1.275 -4.463 2.664) 5.351 7.174 ( 0.329 1.699 1.559) 2.330 7.221 ( -0.442 -2.309 -0.684) 2.449 7.384 ( 0.425 -2.502 -1.089) 2.761 7.410 ( -0.344 -1.765 1.728) 2.494 7.518 ( -3.415 -5.435 -1.032) 6.502 7.699 ( 1.364 -2.907 0.807) 3.311 7.778 ( 7.083 -2.000 -0.141) 7.361 7.809 ( 5.023 -5.636 -1.278) 7.656 8.195 ( 3.922 1.718 -0.458) 4.306 8.296 ( 2.696 1.019 0.385) 2.908 10.847 ( -5.484 16.785 1.256) 17.703 10.980 ( -7.759 15.106 -3.383) 17.316 11.794 ( -2.605 -1.217 -1.242) 3.132 12.044 ( -3.195 -9.703 4.821) 11.296 12.498 ( -4.153 -3.346 -7.349) 9.080 12.833 ( 5.307 -0.015 12.687) 13.753 13.370 ( -0.913 8.598 -9.263) 12.672 13.564 ( 7.798 5.380 3.374) 10.057 14.589 ( -2.892 -1.583 -9.036) 9.619 14.922 ( 5.159 -5.012 12.397) 14.332 15.212 ( -8.124 1.334 -9.279) 12.405 15.642 ( -1.697 2.374 0.107) 2.920 16.076 ( -2.424 0.020 -3.860) 4.558 16.150 ( 0.769 -3.897 -0.876) 4.068 16.354 ( -3.609 -11.672 7.518) 14.345 16.582 ( -4.026 -6.768 2.139) 8.160 ======================= Grid point 122 (54/110) ======================= q-point: ( 0.30 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 6.760 3.273 -8.317) 11.206 0.979 ( 10.462 3.866 10.697) 15.454 1.152 ( 1.138 12.135 3.601) 12.709 1.223 ( 0.145 9.577 -13.912) 16.890 1.359 ( 1.139 2.501 3.424) 4.390 1.605 ( 1.641 1.449 -0.823) 2.339 1.755 ( -1.087 4.887 -5.587) 7.502 2.114 ( 5.627 -0.239 4.197) 7.024 2.219 ( 3.191 1.873 9.926) 10.593 2.249 ( -1.519 1.789 -4.118) 4.740 2.328 ( 2.050 1.568 0.816) 2.707 2.511 ( -0.571 1.290 3.835) 4.087 2.647 ( -3.455 0.842 -5.364) 6.435 2.675 ( -1.618 0.591 -0.697) 1.858 2.895 ( -0.888 1.264 -1.677) 2.280 2.979 ( 1.356 -1.381 0.217) 1.947 3.128 ( -1.286 0.231 -1.556) 2.032 3.293 ( 0.419 -0.671 4.907) 4.970 3.370 ( -1.397 0.144 0.893) 1.665 3.519 ( 0.219 1.164 1.165) 1.661 3.619 ( -3.252 1.529 -3.174) 4.794 3.694 ( -0.727 -1.165 -5.423) 5.594 3.868 ( 0.752 3.533 -1.605) 3.953 4.007 ( -0.614 6.039 0.593) 6.099 4.161 ( -2.498 4.551 -0.802) 5.253 4.172 ( -2.663 -1.677 -1.685) 3.570 4.350 ( -2.941 2.736 0.317) 4.029 4.448 ( 0.508 3.472 2.780) 4.477 4.580 ( -2.564 9.439 -0.122) 9.782 4.707 ( -6.020 -0.308 -5.094) 7.892 5.036 ( -0.044 -2.019 1.490) 2.510 5.146 ( -1.721 -5.101 5.949) 8.023 5.700 ( -2.138 0.336 -1.688) 2.745 5.856 ( -2.531 0.952 -1.682) 3.185 6.026 ( 0.982 -0.816 1.597) 2.045 6.196 ( -3.836 -0.019 -1.991) 4.322 6.409 ( -4.295 0.478 0.792) 4.394 6.737 ( 1.533 -1.439 2.333) 3.141 6.850 ( 0.582 1.190 -2.697) 3.005 7.056 ( 1.293 -4.255 2.631) 5.168 7.182 ( -1.204 -4.714 1.267) 5.028 7.209 ( 0.099 1.570 0.397) 1.622 7.329 ( -2.798 -4.688 -2.863) 6.165 7.422 ( 0.226 1.146 -1.315) 1.759 7.476 ( -1.642 -3.279 3.128) 4.820 7.709 ( 0.323 -2.572 -1.560) 3.025 7.897 ( 5.186 -2.836 -0.648) 5.946 7.910 ( 5.790 -4.088 0.395) 7.099 8.260 ( 2.940 1.258 -0.363) 3.218 8.335 ( 1.214 1.959 0.245) 2.318 10.745 ( -3.434 14.993 -2.368) 15.562 10.862 ( -5.643 16.512 2.570) 17.638 11.746 ( -1.766 -1.631 -0.533) 2.463 11.985 ( -4.991 -13.947 1.914) 14.936 12.409 ( -0.680 0.784 -4.197) 4.323 13.027 ( 5.079 8.827 8.612) 13.337 13.298 ( -0.675 10.330 -4.190) 11.168 13.663 ( 3.292 -11.037 -5.055) 12.578 14.559 ( 1.546 2.738 4.821) 5.756 14.885 ( -5.529 3.150 -9.858) 11.734 15.231 ( 3.983 1.166 13.590) 14.209 15.564 ( -5.639 9.194 -2.158) 11.000 15.971 ( -2.403 -4.677 -6.416) 8.295 16.149 ( -0.087 -3.398 -0.508) 3.437 16.318 ( -4.198 -12.961 0.988) 13.659 16.548 ( -2.119 -13.095 2.770) 13.551 ======================= Grid point 123 (55/110) ======================= q-point: ( 0.40 0.22 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 6.356 5.060 -3.615) 8.892 1.155 ( 0.699 5.729 -3.454) 6.726 1.200 ( 3.298 5.655 4.071) 7.709 1.228 ( 4.415 10.290 1.837) 11.347 1.434 ( 0.104 -0.138 3.772) 3.776 1.497 ( -1.485 5.650 -3.270) 6.695 1.808 ( 2.202 4.314 1.048) 4.956 2.182 ( -0.461 4.092 -5.240) 6.665 2.209 ( 0.402 4.430 -1.894) 4.835 2.308 ( 2.379 -3.071 1.799) 4.281 2.353 ( 1.565 0.890 4.238) 4.605 2.481 ( -4.487 -0.417 -1.375) 4.711 2.615 ( 1.068 1.466 4.213) 4.587 2.635 ( -1.807 1.299 -1.279) 2.567 2.884 ( 0.959 0.152 -2.628) 2.802 2.991 ( -1.305 2.604 0.281) 2.926 3.095 ( 1.049 -0.924 -2.272) 2.667 3.332 ( 0.823 -1.264 1.676) 2.255 3.373 ( -0.578 -1.949 0.771) 2.174 3.470 ( -2.879 0.427 -3.135) 4.278 3.539 ( -1.200 1.813 0.338) 2.200 3.713 ( 1.441 1.692 -2.845) 3.610 3.879 ( 2.380 7.182 3.031) 8.150 4.017 ( 0.371 3.263 0.437) 3.313 4.104 ( -2.820 -0.671 -0.841) 3.018 4.134 ( -0.277 4.388 1.694) 4.712 4.304 ( -1.992 3.397 -0.825) 4.024 4.439 ( -2.755 2.613 -7.599) 8.495 4.554 ( -1.270 9.863 1.858) 10.116 4.641 ( 0.685 0.747 8.217) 8.280 5.022 ( -0.180 1.128 -1.602) 1.967 5.139 ( -4.021 -7.111 -0.877) 8.216 5.606 ( -1.012 0.712 -1.709) 2.110 5.877 ( 0.355 -1.403 1.848) 2.347 6.055 ( -0.620 0.404 1.223) 1.429 6.117 ( -0.948 -1.003 0.011) 1.380 6.348 ( -3.119 -1.285 1.546) 3.711 6.762 ( -0.773 -7.310 2.579) 7.790 6.848 ( 1.704 6.571 -4.327) 8.050 7.071 ( -0.537 -4.878 -1.563) 5.150 7.156 ( -1.503 -3.730 -0.077) 4.022 7.239 ( 1.313 0.997 1.448) 2.194 7.260 ( -1.943 -3.799 -0.833) 4.348 7.407 ( 0.153 0.247 -2.230) 2.248 7.488 ( -0.807 -2.204 4.488) 5.065 7.699 ( 0.365 -2.577 -2.198) 3.407 7.972 ( 2.994 -6.164 -0.105) 6.854 8.002 ( 3.245 -1.828 0.260) 3.734 8.294 ( 0.090 2.681 1.418) 3.035 8.355 ( 1.583 3.225 -1.152) 3.773 10.695 ( -0.604 14.269 -0.873) 14.309 10.787 ( -3.791 16.096 1.090) 16.572 11.722 ( -0.977 -3.918 1.588) 4.339 11.916 ( -2.846 -12.433 0.463) 12.763 12.394 ( 1.184 1.085 -1.279) 2.053 13.082 ( -1.302 10.937 -7.398) 13.268 13.291 ( 0.883 11.399 2.587) 11.722 13.689 ( 3.522 -14.037 -0.232) 14.475 14.602 ( -2.099 3.274 -1.370) 4.123 14.827 ( 3.540 4.250 7.913) 9.654 15.378 ( -1.348 7.484 5.912) 9.632 15.397 ( -5.919 5.412 -2.595) 8.430 15.938 ( 3.621 -8.362 -3.825) 9.883 16.147 ( 0.159 -3.274 0.316) 3.293 16.231 ( -4.681 -7.360 0.040) 8.722 16.513 ( -2.103 -18.681 -2.552) 18.972 ======================= Grid point 124 (56/110) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 5.831 5.075 2.012) 7.988 1.135 ( -3.549 4.262 0.350) 5.557 1.191 ( -4.370 2.410 -2.760) 5.703 1.281 ( -1.733 6.031 -1.261) 6.401 1.379 ( 4.636 5.108 2.831) 7.457 1.620 ( 2.158 1.595 1.140) 2.916 1.805 ( -0.112 5.266 2.748) 5.941 2.116 ( -1.907 6.537 -6.983) 9.753 2.194 ( 0.808 0.404 -0.329) 0.961 2.342 ( -1.012 4.205 -1.461) 4.566 2.373 ( -1.870 0.683 2.495) 3.192 2.438 ( -0.819 2.057 -0.757) 2.340 2.624 ( 3.598 0.192 1.912) 4.079 2.667 ( -0.258 0.977 4.206) 4.326 2.874 ( 0.111 -1.355 -3.660) 3.905 2.936 ( -1.711 2.895 -3.250) 4.677 3.144 ( 2.944 0.679 2.341) 3.822 3.307 ( -3.815 -3.162 -3.436) 6.030 3.363 ( 0.597 -0.382 0.776) 1.051 3.409 ( -0.613 0.937 -2.559) 2.793 3.590 ( 2.407 0.711 4.626) 5.263 3.713 ( 1.789 -1.237 0.333) 2.200 3.938 ( -1.159 2.859 -1.053) 3.260 4.005 ( 0.050 5.148 -1.802) 5.454 4.083 ( -0.919 1.351 3.391) 3.764 4.152 ( 1.245 2.847 -0.321) 3.124 4.274 ( -0.597 4.610 -0.383) 4.664 4.343 ( 0.787 5.155 -4.229) 6.714 4.564 ( 0.399 8.364 4.799) 9.651 4.767 ( 3.018 0.299 9.659) 10.123 4.973 ( -5.463 0.272 -10.331) 11.690 5.017 ( -0.306 0.362 -1.947) 2.004 5.666 ( 3.875 -3.721 4.318) 6.892 5.843 ( -2.628 -1.546 -2.572) 3.989 6.030 ( -0.311 0.045 1.022) 1.069 6.158 ( 1.123 -3.515 -0.081) 3.691 6.344 ( 0.801 1.177 6.539) 6.692 6.734 ( -2.063 -0.774 -3.793) 4.386 6.860 ( 1.954 -2.163 -0.045) 2.915 7.025 ( -1.273 -6.951 -4.573) 8.417 7.135 ( -0.538 -0.977 0.415) 1.190 7.200 ( -1.347 0.933 -2.140) 2.696 7.310 ( 2.143 -1.469 3.072) 4.023 7.392 ( -0.376 -1.225 -1.636) 2.078 7.512 ( -0.468 -1.801 4.506) 4.875 7.689 ( 0.578 -3.046 -2.737) 4.136 8.006 ( 0.347 -6.786 0.266) 6.800 8.033 ( 0.040 -2.340 -0.194) 2.349 8.287 ( -2.204 4.643 2.034) 5.528 8.379 ( 1.845 3.472 -1.387) 4.169 10.703 ( 1.215 14.180 0.680) 14.248 10.737 ( -1.328 15.251 -0.663) 15.323 11.740 ( 0.715 -5.254 3.812) 6.530 11.882 ( -0.702 -8.504 -1.055) 8.598 12.435 ( 2.586 -1.970 3.082) 4.479 12.901 ( -5.635 0.182 -16.451) 17.391 13.376 ( 3.093 13.774 8.353) 16.403 13.736 ( 0.410 3.001 -3.506) 4.633 14.596 ( 2.414 -2.316 6.280) 7.116 14.983 ( 0.961 2.703 5.957) 6.611 15.193 ( -4.946 5.197 -2.719) 7.672 15.430 ( 0.517 7.926 0.593) 7.965 16.022 ( 4.421 -11.092 1.831) 12.080 16.155 ( -1.890 -6.065 0.651) 6.386 16.174 ( 1.267 -3.800 0.950) 4.117 16.422 ( -3.009 -17.594 -8.027) 19.572 ======================= Grid point 125 (57/110) ======================= q-point: (-0.40 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -12.475 0.147 -3.957) 13.088 1.150 ( -2.771 8.490 1.931) 9.137 1.169 ( 1.560 3.297 3.229) 4.872 1.231 ( -1.371 4.386 -2.090) 5.048 1.512 ( 3.736 2.159 3.967) 5.862 1.557 ( -0.655 0.212 -5.944) 5.983 1.896 ( 1.820 5.328 7.034) 9.010 2.014 ( -2.610 6.639 -6.576) 9.702 2.196 ( -4.118 3.915 -0.567) 5.710 2.253 ( -2.051 2.557 -0.775) 3.368 2.362 ( -0.771 2.657 3.432) 4.409 2.467 ( 3.155 2.721 1.640) 4.478 2.648 ( -1.758 1.995 -3.043) 4.041 2.743 ( 2.582 -1.263 1.067) 3.066 2.847 ( 1.926 2.351 -0.072) 3.041 2.915 ( 1.115 -0.704 -1.773) 2.210 3.191 ( -4.898 -2.723 -4.329) 7.081 3.217 ( 1.789 0.543 3.573) 4.033 3.350 ( -0.576 0.103 0.179) 0.611 3.430 ( 2.685 1.378 -0.687) 3.095 3.651 ( 0.615 -1.774 2.345) 3.004 3.758 ( 0.545 -1.739 -3.922) 4.325 3.906 ( 0.968 0.187 3.493) 3.630 3.963 ( -0.784 1.851 -3.142) 3.730 4.085 ( -0.728 3.105 0.798) 3.288 4.187 ( 2.828 6.459 -0.273) 7.056 4.276 ( -0.113 6.488 -0.322) 6.497 4.368 ( 2.729 4.669 -2.955) 6.162 4.691 ( 5.871 4.347 12.064) 14.103 4.774 ( -3.394 2.624 -8.278) 9.324 4.905 ( 2.197 1.566 5.283) 5.932 4.996 ( 0.438 1.043 -4.776) 4.908 5.709 ( -2.080 -3.023 -0.388) 3.690 5.826 ( 2.659 -3.860 -0.491) 4.713 6.068 ( 1.774 -1.469 3.813) 4.454 6.148 ( 1.105 -1.500 -3.769) 4.204 6.463 ( 3.217 2.883 10.067) 10.955 6.643 ( -1.726 2.336 -8.085) 8.591 6.919 ( 2.440 -7.380 3.746) 8.628 6.960 ( -1.360 -7.199 -4.951) 8.842 7.147 ( 0.841 0.791 1.803) 2.141 7.173 ( 0.202 1.166 -1.747) 2.110 7.355 ( -0.118 -1.764 -0.263) 1.788 7.368 ( 0.219 -1.086 -0.506) 1.218 7.539 ( -0.381 -2.066 4.161) 4.661 7.677 ( 0.662 -3.969 -3.229) 5.159 7.984 ( -2.937 -4.094 0.220) 5.044 8.011 ( -2.075 -5.070 -0.127) 5.480 8.245 ( -3.307 5.153 0.800) 6.175 8.396 ( 0.493 3.070 -0.460) 3.144 10.704 ( -0.051 14.682 -1.142) 14.727 10.778 ( 4.677 14.980 1.363) 15.752 11.803 ( 2.293 -5.633 4.042) 7.303 11.867 ( 0.472 -5.349 -2.158) 5.787 12.544 ( 3.684 -4.570 8.237) 10.115 12.666 ( -4.872 -5.398 -14.784) 16.475 13.510 ( 2.152 14.310 8.253) 16.659 13.644 ( -2.731 12.696 -8.161) 15.337 14.782 ( 5.028 -2.619 13.522) 14.662 14.840 ( -6.031 -3.276 -10.505) 12.548 15.244 ( 1.450 5.391 8.470) 10.145 15.464 ( 5.249 9.921 -2.571) 11.515 16.057 ( -1.890 -11.348 0.029) 11.504 16.167 ( 2.121 -5.898 1.417) 6.426 16.227 ( -1.108 -10.121 -1.125) 10.243 16.313 ( 2.480 -11.639 -5.102) 12.948 ======================= Grid point 126 (58/110) ======================= q-point: (-0.30 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( -12.499 1.372 -1.002) 12.614 0.995 ( -8.393 9.871 -5.888) 14.232 1.170 ( -2.233 5.396 1.024) 5.929 1.280 ( 1.192 3.068 8.372) 8.995 1.488 ( 0.085 7.479 -7.952) 10.917 1.575 ( -1.555 0.896 -3.008) 3.503 1.916 ( -3.619 4.638 -6.872) 9.046 1.945 ( -0.904 1.743 6.675) 6.958 2.108 ( -0.658 0.668 3.122) 3.260 2.260 ( -1.461 4.809 3.033) 5.870 2.413 ( 1.566 2.152 6.380) 6.913 2.545 ( 1.679 1.838 3.248) 4.092 2.558 ( -0.062 1.847 -9.476) 9.655 2.753 ( -0.145 -0.549 1.038) 1.183 2.886 ( 2.084 0.102 -6.066) 6.415 2.976 ( 2.950 3.184 5.362) 6.898 3.058 ( -4.832 -3.972 -3.751) 7.294 3.275 ( 1.367 -0.661 4.306) 4.565 3.371 ( 2.241 0.084 0.487) 2.295 3.478 ( 2.113 2.386 0.810) 3.289 3.640 ( -1.682 0.170 -2.753) 3.231 3.680 ( -1.763 -0.458 -6.748) 6.990 3.931 ( 0.205 2.680 -0.044) 2.688 4.017 ( 2.541 0.464 0.694) 2.675 4.093 ( 1.043 1.632 3.465) 3.969 4.252 ( 2.512 6.422 -0.072) 6.896 4.267 ( 2.101 4.299 0.138) 4.787 4.374 ( 1.507 2.797 -4.997) 5.921 4.672 ( -0.845 5.443 -4.084) 6.857 4.906 ( 2.486 2.629 0.985) 3.750 4.945 ( 2.488 3.390 -0.309) 4.216 5.037 ( 6.241 -2.593 8.514) 10.870 5.656 ( -1.170 -3.479 -3.723) 5.228 5.855 ( 0.092 -3.558 1.680) 3.936 6.116 ( 0.222 -1.648 0.408) 1.712 6.178 ( 4.325 1.765 -1.910) 5.047 6.560 ( 1.606 2.965 -4.175) 5.367 6.604 ( 1.514 4.276 6.177) 7.664 6.903 ( -0.473 -6.265 -4.064) 7.483 7.003 ( 2.348 -7.919 4.701) 9.504 7.176 ( 1.116 2.843 -0.201) 3.061 7.187 ( 0.970 -1.682 1.929) 2.737 7.324 ( -0.700 -2.084 -2.136) 3.065 7.378 ( 0.400 -1.381 -0.966) 1.732 7.565 ( 0.209 -2.771 3.509) 4.476 7.661 ( 0.148 -5.085 -2.954) 5.883 7.904 ( -5.593 -2.848 0.343) 6.286 7.946 ( -4.463 -5.325 -0.919) 7.008 8.182 ( -3.250 4.789 0.067) 5.788 8.383 ( -1.888 2.028 0.020) 2.771 10.708 ( 1.559 14.964 -1.294) 15.101 10.921 ( 9.354 16.284 1.508) 18.840 11.841 ( 1.573 -5.060 -4.148) 6.729 11.913 ( 2.952 -6.116 5.968) 9.041 12.466 ( -3.727 -4.716 -10.610) 12.194 12.725 ( 4.682 -3.456 12.165) 13.486 13.442 ( -4.987 11.224 -7.691) 14.492 13.654 ( 0.601 11.064 3.417) 11.595 14.636 ( -3.685 -4.112 -7.153) 9.036 14.956 ( -0.488 0.581 6.226) 6.272 15.372 ( 8.550 5.456 6.059) 11.814 15.585 ( 6.794 7.107 1.667) 9.972 15.942 ( -5.607 -11.640 -12.036) 17.658 16.146 ( -1.521 -2.097 -0.827) 2.719 16.225 ( 1.511 -6.187 3.370) 7.205 16.431 ( 6.241 -16.227 3.356) 17.707 ======================= Grid point 127 (59/110) ======================= q-point: (-0.20 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -8.405 4.949 2.672) 10.113 0.844 ( -3.578 16.889 2.465) 17.439 1.109 ( -3.713 1.789 -2.553) 4.848 1.309 ( -4.802 11.795 -4.529) 13.516 1.446 ( 1.784 8.820 3.285) 9.579 1.461 ( -3.400 1.609 -5.404) 6.584 1.751 ( -6.057 2.886 -9.031) 11.251 2.020 ( 1.106 -0.622 11.138) 11.210 2.185 ( -2.822 -2.962 1.124) 4.243 2.232 ( 3.264 4.171 1.673) 5.554 2.427 ( 0.128 -0.771 -4.191) 4.263 2.585 ( 2.623 2.446 2.705) 4.492 2.591 ( 1.207 -0.753 4.891) 5.094 2.741 ( -2.150 -0.215 -2.939) 3.648 2.880 ( 2.481 1.184 -3.496) 4.447 2.967 ( 0.925 -1.756 -2.929) 3.538 3.064 ( 0.767 2.985 5.061) 5.925 3.353 ( 2.551 -1.253 6.374) 6.979 3.426 ( 2.834 -0.547 -0.042) 2.887 3.509 ( -0.049 1.285 -1.602) 2.054 3.558 ( -2.241 5.478 -1.900) 6.216 3.619 ( -1.270 -0.129 -4.377) 4.559 3.933 ( 2.220 3.992 -3.130) 5.538 4.053 ( 1.704 2.918 1.280) 3.613 4.099 ( -0.853 2.166 -1.411) 2.722 4.267 ( 0.433 3.840 -4.057) 5.603 4.384 ( 2.208 1.695 -0.025) 2.784 4.390 ( 5.577 0.754 6.551) 8.636 4.651 ( 0.279 5.518 -1.369) 5.692 4.883 ( 1.796 3.838 -6.548) 7.800 5.000 ( 1.917 3.482 1.507) 4.251 5.237 ( 3.694 -9.668 5.703) 11.817 5.641 ( 2.568 -0.041 1.762) 3.114 5.869 ( -0.415 -2.206 0.321) 2.267 6.083 ( -1.056 -0.182 -2.777) 2.977 6.256 ( 3.920 2.378 0.085) 4.586 6.568 ( 2.325 3.071 -3.636) 5.297 6.672 ( 1.099 5.448 3.382) 6.506 6.893 ( 2.280 -4.711 -2.083) 5.633 7.063 ( 0.192 -4.792 3.148) 5.737 7.196 ( 0.716 -2.068 -0.719) 2.304 7.210 ( -0.031 2.073 2.131) 2.973 7.297 ( -1.286 -3.444 -0.888) 3.782 7.384 ( 1.593 -2.703 -0.767) 3.230 7.601 ( -0.635 -3.290 2.662) 4.279 7.638 ( 0.756 -7.922 -2.218) 8.262 7.767 ( -8.832 -3.382 -0.073) 9.457 7.843 ( -4.724 -2.012 -1.040) 5.239 8.136 ( -1.506 4.212 -0.008) 4.473 8.322 ( -4.517 1.221 0.123) 4.681 10.744 ( 2.774 15.557 -0.015) 15.802 11.154 ( 14.873 16.508 -2.492) 22.359 11.846 ( 2.369 -3.997 -2.825) 5.438 12.033 ( 3.903 -11.070 7.575) 13.970 12.349 ( -1.928 0.078 -4.894) 5.261 12.896 ( 2.809 3.412 10.451) 11.347 13.291 ( -5.737 8.350 -5.063) 11.326 13.613 ( -3.341 -7.027 -4.642) 9.060 14.637 ( 4.280 2.043 6.634) 8.155 14.885 ( -4.265 2.709 -8.427) 9.825 15.560 ( -0.074 0.585 -2.484) 2.553 15.745 ( 8.160 -2.035 3.666) 9.174 15.757 ( 1.616 5.115 -5.945) 8.008 16.138 ( 0.059 -1.537 0.330) 1.573 16.272 ( -0.094 -8.270 4.976) 9.652 16.563 ( 4.517 -14.778 3.147) 15.770 ======================= Grid point 128 (60/110) ======================= q-point: (-0.10 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -4.983 7.508 6.673) 11.213 0.909 ( 0.775 19.212 8.890) 21.183 0.975 ( -3.866 1.269 -10.610) 11.364 1.158 ( -1.875 19.144 -3.157) 19.493 1.395 ( 0.313 3.369 -0.809) 3.479 1.517 ( -3.828 4.600 -4.242) 7.335 1.639 ( 2.600 2.540 8.055) 8.837 2.023 ( -5.833 -2.870 -7.641) 10.032 2.151 ( 1.527 0.577 7.296) 7.476 2.309 ( 0.442 -2.959 -2.458) 3.873 2.413 ( 1.023 0.997 -4.963) 5.164 2.571 ( -2.063 -1.311 0.322) 2.466 2.630 ( -1.348 -1.059 -2.055) 2.676 2.738 ( 3.803 1.207 4.586) 6.079 2.853 ( -1.829 -1.942 -1.884) 3.266 3.068 ( 4.682 -2.591 -3.350) 6.313 3.106 ( 1.551 5.481 4.502) 7.260 3.430 ( -2.955 0.774 -5.667) 6.438 3.454 ( 0.720 -0.029 1.205) 1.404 3.491 ( 4.667 -0.975 6.603) 8.145 3.536 ( -0.209 2.145 1.950) 2.907 3.599 ( 0.589 4.386 3.854) 5.868 3.979 ( 3.646 0.785 -4.108) 5.549 4.079 ( 1.382 4.296 -0.513) 4.542 4.125 ( 1.699 2.440 4.726) 5.584 4.247 ( 1.183 2.818 1.672) 3.483 4.399 ( 0.105 0.014 -1.320) 1.324 4.518 ( 3.031 1.372 1.961) 3.862 4.655 ( 0.467 5.317 -0.233) 5.342 4.903 ( 3.814 4.517 -1.280) 6.049 5.045 ( 0.890 2.699 0.694) 2.926 5.263 ( -0.090 -12.149 1.060) 12.195 5.737 ( -0.527 1.164 -1.928) 2.313 5.848 ( 2.045 -0.741 5.570) 5.979 6.078 ( 0.759 -1.308 -0.670) 1.654 6.304 ( 0.701 2.307 -0.078) 2.412 6.577 ( 1.544 3.829 -2.152) 4.656 6.728 ( 4.776 5.142 -1.230) 7.125 6.947 ( 4.095 -2.027 -1.342) 4.762 7.045 ( -3.559 -1.442 -0.602) 3.887 7.175 ( -1.316 -2.174 -1.186) 2.804 7.228 ( 0.218 0.831 -1.273) 1.536 7.261 ( -2.078 -0.105 2.605) 3.334 7.424 ( 0.203 -7.001 4.299) 8.218 7.513 ( -6.265 -4.919 -2.771) 8.433 7.613 ( -4.018 -2.153 2.043) 4.995 7.705 ( 2.558 -9.207 0.388) 9.564 7.765 ( -2.501 -1.162 -1.097) 2.968 8.125 ( 0.546 4.314 -0.300) 4.358 8.223 ( -5.417 1.988 0.168) 5.773 10.809 ( 2.620 16.215 2.788) 16.660 11.388 ( 14.168 11.995 -13.018) 22.673 11.892 ( 3.538 -3.072 -0.527) 4.715 12.159 ( 1.406 -16.723 6.260) 17.911 12.325 ( 0.808 5.183 2.698) 5.898 12.950 ( -2.066 9.757 0.082) 9.974 13.147 ( -6.032 6.939 0.791) 9.229 13.545 ( -0.026 -20.878 -1.304) 20.919 14.701 ( -4.039 3.661 -13.817) 14.853 14.865 ( 8.144 0.979 13.940) 16.175 15.371 ( -6.381 -2.588 -9.854) 12.022 15.801 ( 4.957 4.930 -8.078) 10.683 15.972 ( 6.013 -1.598 7.418) 9.682 16.134 ( -0.647 -1.823 -0.612) 2.029 16.313 ( -0.760 -7.963 9.107) 12.121 16.644 ( 1.912 -6.056 1.759) 6.590 ======================= Grid point 129 (61/110) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 1.136 11.005 8.605) 14.016 0.951 ( 2.997 3.085 -5.548) 7.020 1.188 ( -5.396 13.510 -2.256) 14.722 1.388 ( -2.118 3.612 -3.733) 5.609 1.551 ( -0.043 3.165 -3.189) 4.493 1.682 ( 4.471 6.382 3.565) 8.569 1.795 ( -0.336 4.175 -1.937) 4.615 1.853 ( 4.193 3.026 8.494) 9.944 2.062 ( -4.088 -0.792 -0.029) 4.164 2.241 ( -0.094 -1.147 -7.944) 8.027 2.470 ( 1.043 0.072 -1.622) 1.929 2.490 ( -2.101 -1.347 -2.577) 3.587 2.566 ( 0.288 -6.131 4.469) 7.592 2.770 ( -0.122 -2.218 -2.404) 3.274 2.840 ( 0.818 2.835 1.750) 3.431 2.983 ( 0.325 -3.631 -2.087) 4.200 3.269 ( -0.185 5.489 4.625) 7.180 3.376 ( -2.401 0.559 -0.381) 2.495 3.481 ( 0.528 1.049 0.488) 1.272 3.501 ( -0.436 0.246 -0.479) 0.693 3.645 ( 2.438 -0.304 3.795) 4.521 3.730 ( 0.451 2.752 2.610) 3.820 3.912 ( -0.898 -1.856 -4.945) 5.357 4.085 ( -2.622 -3.155 -7.420) 8.478 4.292 ( -0.398 7.729 3.532) 8.507 4.353 ( 1.315 7.532 -2.257) 7.972 4.506 ( 2.886 1.860 8.823) 9.468 4.598 ( -0.925 1.396 2.158) 2.732 4.748 ( 0.484 2.250 2.280) 3.240 4.950 ( -0.201 -1.408 -5.610) 5.788 5.038 ( 3.797 -0.929 3.298) 5.114 5.191 ( -1.253 -3.070 2.205) 3.982 5.677 ( -1.292 1.755 -1.745) 2.791 5.862 ( -3.296 -3.359 -1.936) 5.089 6.117 ( 3.524 2.099 5.369) 6.757 6.318 ( -0.373 0.136 -1.355) 1.412 6.674 ( 1.608 2.319 -0.597) 2.884 6.838 ( 2.418 -0.967 -4.298) 5.025 6.940 ( -4.005 1.240 0.491) 4.222 7.012 ( -3.176 1.181 -3.627) 4.964 7.140 ( 0.724 -0.683 1.547) 1.839 7.188 ( 0.968 -0.669 0.532) 1.291 7.242 ( -0.688 -3.268 2.192) 3.995 7.319 ( 0.850 -1.772 -1.728) 2.617 7.419 ( 3.182 -4.461 1.765) 5.757 7.503 ( -1.134 -5.843 -1.383) 6.111 7.538 ( -1.152 -2.174 4.401) 5.042 7.704 ( -0.304 -1.818 -2.465) 3.078 8.222 ( -0.862 3.740 0.439) 3.863 8.240 ( 1.158 3.237 -0.239) 3.446 11.167 ( 0.836 11.582 5.170) 12.711 11.540 ( 0.933 2.624 -10.551) 10.913 11.830 ( -3.211 -7.704 3.180) 8.932 11.889 ( 0.973 -8.666 -0.355) 8.727 12.449 ( -0.246 2.687 1.629) 3.152 12.811 ( -9.242 -7.530 -13.346) 17.895 13.363 ( 7.447 11.770 13.376) 19.311 13.562 ( 7.709 7.924 12.651) 16.801 14.608 ( -2.974 2.752 -9.132) 9.991 14.945 ( -3.954 1.082 -8.485) 9.424 15.218 ( 4.892 -9.530 1.699) 10.846 15.517 ( -4.692 -13.890 -10.285) 17.909 16.050 ( 0.338 -0.282 1.150) 1.231 16.083 ( 0.172 -1.548 -0.681) 1.700 16.423 ( 2.552 2.808 10.681) 11.335 16.614 ( -1.697 -3.002 2.002) 3.988 ======================= Grid point 130 (62/110) ======================= q-point: ( 0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 2.422 12.340 6.350) 14.088 0.997 ( 5.988 4.528 -8.030) 10.993 1.154 ( 1.195 9.248 6.502) 11.368 1.308 ( -1.116 7.706 -3.817) 8.672 1.553 ( -0.526 -3.750 -0.045) 3.787 1.612 ( -2.292 -2.789 -4.581) 5.832 1.929 ( -0.824 8.775 -2.766) 9.238 1.994 ( 5.712 6.442 5.803) 10.383 2.036 ( 5.721 4.178 9.784) 12.079 2.147 ( -1.526 1.448 -10.685) 10.890 2.424 ( -2.265 -1.170 -3.227) 4.112 2.487 ( 0.978 -3.103 0.029) 3.254 2.641 ( 3.758 -4.731 3.886) 7.184 2.754 ( 1.180 -4.071 -4.641) 6.285 2.854 ( -1.239 3.424 2.786) 4.585 2.962 ( -0.697 -1.729 -1.569) 2.437 3.266 ( -3.959 5.393 3.525) 7.562 3.331 ( -2.106 1.794 0.951) 2.926 3.459 ( -2.506 0.174 -0.405) 2.544 3.510 ( 1.181 1.962 0.193) 2.298 3.709 ( 0.103 -2.735 3.469) 4.419 3.740 ( -0.306 -0.988 -0.213) 1.056 3.901 ( 1.407 -1.701 1.346) 2.585 3.958 ( -2.549 -2.762 -7.747) 8.610 4.282 ( -1.986 8.277 1.181) 8.594 4.371 ( 1.766 8.689 -0.940) 8.916 4.565 ( -4.043 -0.175 3.392) 5.280 4.594 ( -1.553 -0.661 3.897) 4.247 4.772 ( 0.731 3.439 2.912) 4.565 4.896 ( -0.532 1.768 -6.952) 7.193 5.092 ( -6.321 -0.389 -4.476) 7.755 5.142 ( 1.974 -1.220 5.250) 5.740 5.715 ( 1.189 -1.481 5.665) 5.975 5.757 ( -2.255 -2.386 -3.625) 4.891 6.197 ( -1.079 2.643 2.113) 3.552 6.291 ( 0.499 1.058 -1.938) 2.264 6.687 ( -2.370 -0.769 -0.138) 2.495 6.751 ( -3.780 1.777 -6.429) 7.667 6.860 ( -3.839 -0.215 1.852) 4.267 6.934 ( -3.045 -1.392 1.355) 3.612 7.156 ( -1.264 -1.823 2.409) 3.274 7.236 ( 3.914 -0.134 -0.831) 4.003 7.289 ( 2.003 1.228 0.145) 2.353 7.343 ( 2.599 -3.570 -0.359) 4.430 7.419 ( -1.964 -8.223 -2.097) 8.710 7.554 ( 6.087 -2.399 0.113) 6.544 7.585 ( 1.525 -2.018 5.234) 5.813 7.703 ( 2.716 -2.032 -2.860) 4.437 8.223 ( 1.157 4.036 -0.286) 4.209 8.277 ( 2.420 2.249 0.227) 3.311 11.202 ( -2.343 12.151 6.308) 13.890 11.395 ( -6.355 5.573 -10.405) 13.406 11.777 ( -2.904 -5.988 1.954) 6.936 11.889 ( -1.788 -8.270 0.411) 8.471 12.527 ( 2.919 -3.681 9.180) 10.312 12.578 ( -4.891 -4.954 -7.453) 10.198 13.605 ( 6.608 14.248 7.328) 17.331 13.734 ( 5.250 15.424 -3.604) 16.687 14.598 ( 3.641 -3.739 8.228) 9.744 14.729 ( -5.528 -1.935 -16.568) 17.572 15.321 ( -3.156 -10.314 -5.516) 12.115 15.396 ( 4.968 -11.165 1.293) 12.289 16.068 ( 0.588 -1.620 0.920) 1.954 16.079 ( 0.131 -1.725 -0.987) 1.992 16.434 ( -9.857 2.025 4.710) 11.110 16.560 ( -3.983 -2.412 3.508) 5.830 ======================= Grid point 131 (63/110) ======================= q-point: ( 0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 6.561 10.455 3.882) 12.939 1.012 ( 3.553 6.653 -9.109) 11.826 1.294 ( 4.296 4.260 8.515) 10.445 1.315 ( 1.647 7.956 3.049) 8.678 1.496 ( -1.086 0.330 -5.131) 5.255 1.607 ( 1.045 0.501 3.765) 3.939 1.884 ( 1.285 4.705 -3.759) 6.158 2.024 ( -0.516 2.818 -11.509) 11.860 2.170 ( 5.196 5.267 7.559) 10.577 2.234 ( 6.307 2.358 5.641) 8.784 2.357 ( -2.067 0.754 -1.923) 2.922 2.515 ( 1.298 -2.505 1.619) 3.252 2.692 ( -0.590 -4.286 -4.697) 6.386 2.763 ( 1.993 1.219 -0.784) 2.465 2.834 ( -1.081 -1.084 0.615) 1.650 2.947 ( 0.178 -1.679 -0.565) 1.780 3.198 ( -4.987 3.443 3.008) 6.766 3.307 ( -1.784 1.808 2.172) 3.342 3.403 ( -2.700 -0.211 -0.251) 2.720 3.532 ( 0.833 2.067 0.292) 2.247 3.669 ( -2.387 -2.357 -2.338) 4.089 3.746 ( -1.658 -2.679 -0.485) 3.188 3.873 ( 0.808 1.677 -0.748) 2.006 4.005 ( 3.092 -2.592 6.676) 7.800 4.238 ( -3.207 6.916 -0.070) 7.624 4.379 ( -0.523 8.099 -4.236) 9.155 4.486 ( -5.805 -0.048 0.507) 5.827 4.543 ( -2.319 1.901 -1.315) 3.274 4.784 ( -1.883 0.461 -0.576) 2.023 4.821 ( -2.000 7.221 -3.740) 8.374 4.978 ( -1.805 0.580 -0.515) 1.965 5.165 ( -2.282 -1.909 1.051) 3.156 5.688 ( -0.142 0.234 0.689) 0.741 5.839 ( 2.016 -3.805 7.316) 8.489 6.105 ( -4.731 3.157 -6.209) 8.420 6.277 ( -2.627 -0.290 -0.939) 2.804 6.545 ( -6.866 0.592 -2.835) 7.451 6.697 ( -2.499 -2.287 -0.449) 3.417 6.837 ( 0.409 0.204 2.404) 2.447 6.943 ( 0.900 -1.644 5.256) 5.580 7.133 ( -2.524 -2.412 1.203) 3.692 7.275 ( 0.481 3.002 -1.454) 3.370 7.303 ( -0.678 -2.495 -2.680) 3.724 7.355 ( 0.893 -2.826 1.027) 3.137 7.415 ( 1.923 -4.897 -1.144) 5.384 7.625 ( 1.643 -4.359 -0.602) 4.697 7.688 ( 4.685 -2.282 3.069) 6.048 7.773 ( 6.213 -1.499 -1.663) 6.604 8.260 ( 2.930 3.662 -0.662) 4.736 8.329 ( 2.696 1.631 0.390) 3.175 11.142 ( -6.237 11.303 -2.826) 13.216 11.238 ( -4.844 10.859 2.860) 12.230 11.751 ( -1.187 -3.289 -0.216) 3.504 11.809 ( -5.931 -11.832 -0.794) 13.260 12.465 ( -1.614 -0.075 -2.057) 2.616 12.743 ( 6.724 -7.300 16.949) 19.641 13.608 ( -0.773 13.754 -13.693) 19.423 13.779 ( 2.707 12.827 -10.053) 16.520 14.560 ( -1.228 -1.082 -3.746) 4.088 14.837 ( 8.073 -3.735 17.132) 19.304 15.174 ( -4.191 -4.012 -7.985) 9.871 15.539 ( 5.568 -11.642 3.254) 13.309 16.076 ( 0.128 -2.209 -0.775) 2.345 16.079 ( -0.095 -1.548 -0.782) 1.737 16.205 ( -13.819 -0.354 0.888) 13.852 16.476 ( -7.769 -4.361 1.839) 9.097 ======================= Grid point 132 (64/110) ======================= q-point: ( 0.30 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 6.254 5.048 -8.655) 11.811 1.088 ( 6.692 5.519 5.360) 10.197 1.353 ( 0.282 6.245 2.244) 6.642 1.402 ( 0.657 3.274 4.871) 5.905 1.473 ( 2.673 11.141 -2.449) 11.716 1.687 ( 2.351 6.451 0.337) 6.875 1.857 ( 0.251 3.911 -2.551) 4.677 2.045 ( 6.524 -2.662 2.639) 7.524 2.234 ( -0.574 -1.366 -6.377) 6.547 2.330 ( 2.613 3.833 5.558) 7.239 2.381 ( 1.773 1.649 0.940) 2.597 2.537 ( -1.376 -0.290 0.268) 1.432 2.626 ( -0.666 -0.670 -2.919) 3.068 2.710 ( -3.063 3.573 -1.158) 4.847 2.872 ( 1.807 -2.696 -0.690) 3.319 2.962 ( 2.730 -0.700 -0.939) 2.971 3.132 ( -3.609 0.552 -0.009) 3.651 3.303 ( -1.196 0.095 3.638) 3.831 3.367 ( -1.079 0.299 0.423) 1.197 3.506 ( -2.614 -1.926 -1.927) 3.776 3.659 ( -2.718 1.649 0.074) 3.180 3.684 ( 1.549 0.201 0.507) 1.643 3.922 ( 2.199 1.805 1.762) 3.347 4.102 ( 0.271 -3.473 4.576) 5.751 4.160 ( -3.342 6.891 -2.373) 8.018 4.254 ( -3.664 3.008 -5.909) 7.576 4.404 ( -3.708 2.928 0.657) 4.770 4.552 ( 1.651 5.976 2.999) 6.887 4.686 ( -4.223 -0.366 -6.595) 7.840 4.778 ( -1.842 8.218 1.003) 8.481 4.993 ( 1.055 -0.810 2.827) 3.125 5.107 ( -2.395 -0.740 -1.982) 3.196 5.720 ( -0.174 1.388 3.131) 3.429 5.856 ( -2.979 -1.023 -2.006) 3.734 6.010 ( -0.215 0.025 -0.155) 0.266 6.189 ( -4.468 -1.343 -2.116) 5.123 6.416 ( -5.632 0.738 0.245) 5.685 6.643 ( -2.519 -5.272 0.439) 5.860 6.887 ( 1.427 0.109 2.477) 2.860 7.028 ( 3.140 0.324 5.313) 6.180 7.082 ( -3.316 -3.204 0.066) 4.612 7.213 ( -2.251 -4.253 -5.092) 7.006 7.291 ( 0.409 4.149 -1.011) 4.290 7.396 ( 1.155 -2.675 2.106) 3.596 7.427 ( 0.367 -2.177 -1.159) 2.493 7.632 ( 0.530 -4.556 -2.166) 5.072 7.783 ( 3.074 -3.568 2.384) 5.279 7.884 ( 5.844 -1.960 -0.964) 6.239 8.317 ( 3.278 3.480 -0.355) 4.794 8.381 ( 2.294 2.015 0.561) 3.104 11.013 ( -3.898 10.670 -2.701) 11.677 11.188 ( -4.483 14.891 4.316) 16.139 11.654 ( -6.636 -9.834 -1.199) 11.924 11.753 ( -0.138 -5.659 -0.400) 5.675 12.443 ( -0.504 2.731 -0.454) 2.814 13.043 ( 8.645 -10.260 19.700) 23.834 13.473 ( -1.709 9.913 -14.899) 17.977 13.637 ( -2.475 6.742 -16.299) 17.811 14.633 ( 3.652 4.771 10.510) 12.106 14.966 ( -2.693 5.006 -7.407) 9.337 15.190 ( 6.752 -5.478 14.632) 17.021 15.648 ( 4.169 -6.699 1.004) 7.954 15.882 ( -13.002 1.438 -7.077) 14.873 16.076 ( -0.526 -3.194 0.265) 3.248 16.115 ( -0.474 -5.871 2.139) 6.267 16.307 ( -9.027 -9.462 -2.165) 13.255 ======================= Grid point 133 (65/110) ======================= q-point: ( 0.40 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 6.549 3.651 -5.019) 9.023 1.227 ( 3.629 0.566 1.512) 3.972 1.344 ( -1.060 8.216 -1.738) 8.465 1.432 ( 0.106 2.641 1.764) 3.177 1.537 ( 0.003 13.232 -1.452) 13.311 1.661 ( 1.677 9.619 0.851) 9.801 1.909 ( 1.645 4.618 0.711) 4.954 2.160 ( 0.354 -2.480 -5.339) 5.897 2.234 ( 5.539 -3.337 8.967) 11.056 2.359 ( 0.190 1.182 -1.500) 1.919 2.396 ( -1.215 3.211 -0.703) 3.505 2.471 ( -1.924 2.527 0.886) 3.298 2.649 ( 1.394 2.192 2.632) 3.698 2.679 ( -0.629 3.018 -1.437) 3.402 2.871 ( 0.362 -1.070 -3.088) 3.288 3.034 ( 2.889 0.685 2.020) 3.591 3.057 ( -1.461 -1.945 -3.756) 4.476 3.303 ( -1.488 -3.055 0.898) 3.515 3.344 ( -1.206 0.502 -0.366) 1.357 3.465 ( -1.704 -1.026 0.933) 2.197 3.581 ( -1.845 2.330 -1.163) 3.191 3.735 ( 0.233 -0.102 -1.999) 2.015 3.968 ( 1.341 0.107 2.110) 2.502 4.025 ( -3.949 -1.569 -2.796) 5.086 4.148 ( 1.983 5.625 0.852) 6.024 4.240 ( -0.528 3.267 4.399) 5.505 4.345 ( -2.362 2.467 -0.316) 3.430 4.529 ( -2.611 5.208 -7.616) 9.588 4.660 ( 1.668 1.672 8.872) 9.181 4.760 ( -0.627 8.399 0.504) 8.437 5.027 ( -0.066 -1.823 0.973) 2.068 5.062 ( -0.757 1.275 -1.439) 2.066 5.657 ( -2.835 3.613 -4.827) 6.663 5.829 ( -0.505 -2.826 0.411) 2.900 6.042 ( 1.418 -1.508 2.575) 3.304 6.094 ( -3.504 -1.606 -1.492) 4.133 6.344 ( -3.037 1.236 3.370) 4.701 6.621 ( -1.023 -6.386 2.459) 6.919 6.894 ( -1.091 -1.332 -2.125) 2.735 6.999 ( -3.309 -3.172 -5.088) 6.849 7.120 ( 2.143 0.886 0.585) 2.391 7.168 ( 0.391 -3.754 2.749) 4.669 7.292 ( 0.287 3.768 -0.338) 3.794 7.406 ( -0.287 -0.959 -1.922) 2.167 7.437 ( 0.446 -2.340 2.357) 3.351 7.619 ( 0.354 -4.612 -2.862) 5.439 7.844 ( 1.319 -4.353 2.378) 5.132 7.962 ( 3.138 -2.836 -1.294) 4.423 8.370 ( 1.708 3.959 1.167) 4.467 8.423 ( 1.791 2.832 0.161) 3.355 10.955 ( -0.885 10.499 -0.665) 10.557 11.124 ( -4.129 15.965 0.408) 16.495 11.561 ( -3.142 -10.282 2.810) 11.112 11.755 ( 0.469 -4.384 -0.290) 4.419 12.424 ( -0.330 2.373 -2.172) 3.234 13.131 ( -6.235 -13.808 -20.856) 25.778 13.445 ( 6.859 11.132 12.036) 17.772 13.624 ( 5.147 6.581 9.640) 12.756 14.700 ( -3.602 6.394 -4.214) 8.463 14.927 ( 3.620 5.386 7.029) 9.566 15.425 ( 5.635 -0.845 10.332) 11.799 15.549 ( -13.313 4.054 -9.540) 16.873 15.740 ( 4.933 -8.707 -2.171) 10.240 16.047 ( -3.693 -7.045 -0.125) 7.956 16.116 ( -1.602 -3.681 0.246) 4.022 16.149 ( -2.681 -13.119 -2.801) 13.680 ======================= Grid point 134 (66/110) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 5.282 3.075 0.336) 6.121 1.214 ( -5.687 1.517 -4.507) 7.413 1.310 ( 0.844 6.682 0.450) 6.750 1.414 ( -2.710 6.654 -0.767) 7.225 1.504 ( 1.237 6.136 -0.608) 6.289 1.677 ( -2.395 3.314 -7.658) 8.681 1.946 ( 1.685 7.390 7.746) 10.838 2.180 ( 1.563 2.033 0.738) 2.669 2.265 ( -1.054 4.530 -2.736) 5.396 2.368 ( -0.565 -1.138 3.497) 3.721 2.449 ( 2.632 1.214 5.759) 6.448 2.480 ( -0.865 4.544 -0.897) 4.712 2.629 ( 0.687 0.808 -2.069) 2.325 2.703 ( 0.538 2.998 3.797) 4.868 2.850 ( 0.455 -0.778 -3.824) 3.928 2.974 ( -2.161 0.918 -4.644) 5.204 3.133 ( 3.472 -1.940 2.225) 4.557 3.236 ( -3.434 -3.634 -3.110) 5.889 3.362 ( 1.117 0.306 2.092) 2.391 3.419 ( -1.463 0.031 -1.362) 1.999 3.588 ( 0.967 -0.796 1.133) 1.689 3.687 ( -1.056 -1.807 -2.846) 3.532 3.944 ( -2.278 -2.102 -2.580) 4.033 3.985 ( 0.178 -1.641 -2.081) 2.656 4.234 ( -2.535 6.396 2.459) 7.307 4.265 ( 5.519 8.206 5.485) 11.309 4.322 ( -0.047 1.067 1.644) 1.960 4.464 ( 0.305 5.230 -3.167) 6.121 4.734 ( -0.234 6.330 4.042) 7.514 4.800 ( 2.493 3.728 6.121) 7.588 4.983 ( -2.419 1.533 -3.203) 4.297 5.053 ( 0.274 1.979 -1.903) 2.759 5.621 ( 1.416 -0.444 -1.067) 1.828 5.788 ( -1.809 -3.558 -4.319) 5.881 6.039 ( -1.044 0.400 1.130) 1.589 6.094 ( 1.804 -2.260 0.262) 2.904 6.373 ( 1.425 1.654 8.317) 8.598 6.639 ( 0.112 -6.028 3.602) 7.023 6.824 ( -2.027 -2.512 -6.661) 7.402 6.890 ( -2.199 -5.593 -7.545) 9.646 7.136 ( -0.162 -0.101 1.942) 1.951 7.225 ( 1.822 1.718 0.668) 2.591 7.305 ( 0.858 1.242 1.644) 2.232 7.380 ( -0.739 -0.121 -1.659) 1.821 7.462 ( 0.155 -2.731 2.340) 3.600 7.600 ( 0.261 -4.690 -3.489) 5.851 7.872 ( -0.394 -4.622 2.695) 5.365 7.982 ( 0.306 -3.262 -1.886) 3.780 8.389 ( -1.285 4.689 2.126) 5.307 8.452 ( 1.169 3.041 -0.183) 3.263 10.964 ( 1.519 10.466 1.095) 10.632 11.051 ( -2.168 14.339 -2.554) 14.725 11.578 ( 0.757 -8.343 6.106) 10.366 11.762 ( 0.539 -4.482 -0.595) 4.554 12.409 ( 0.697 -0.297 -1.078) 1.318 12.805 ( -7.469 -9.071 -21.966) 24.912 13.654 ( 5.620 13.418 12.681) 19.298 13.898 ( 6.792 10.387 15.363) 19.749 14.577 ( -1.709 1.165 -2.730) 3.425 15.061 ( -1.222 5.074 0.743) 5.272 15.228 ( -7.985 -3.654 -3.637) 9.505 15.558 ( 3.976 2.521 -0.326) 4.719 15.808 ( 0.352 -7.577 0.323) 7.592 15.964 ( 0.398 -12.336 -3.113) 12.729 16.096 ( 0.017 -3.809 0.098) 3.810 16.131 ( -0.076 -7.330 -0.877) 7.383 ======================= Grid point 135 (67/110) ======================= q-point: (-0.40 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.989 ( -9.956 5.703 -5.518) 12.732 1.233 ( 3.841 2.855 3.391) 5.866 1.318 ( -4.554 7.152 -2.391) 8.809 1.352 ( -0.738 5.854 2.164) 6.285 1.549 ( -0.261 -0.793 -2.562) 2.695 1.550 ( 0.534 1.433 -0.571) 1.633 2.031 ( 0.273 7.087 5.728) 9.117 2.129 ( -2.775 4.745 -4.861) 7.338 2.309 ( -2.049 6.389 3.810) 7.716 2.356 ( -3.369 5.506 -1.078) 6.545 2.397 ( -1.139 1.259 2.226) 2.799 2.488 ( 1.840 -1.206 -0.542) 2.266 2.698 ( -1.521 -1.344 -3.389) 3.950 2.709 ( 2.449 2.852 2.316) 4.415 2.870 ( 3.302 -0.275 3.327) 4.695 2.910 ( -0.012 0.569 -5.367) 5.397 3.129 ( -4.309 -2.664 -2.338) 5.580 3.203 ( 1.707 -2.064 0.757) 2.784 3.364 ( -0.461 1.163 0.718) 1.442 3.451 ( 3.735 0.480 0.017) 3.766 3.606 ( 0.104 -2.484 0.623) 2.563 3.681 ( 1.752 -4.717 -1.204) 5.173 3.914 ( 0.196 -0.126 1.260) 1.281 3.957 ( -0.522 -0.653 -2.640) 2.769 4.214 ( -1.176 7.159 1.830) 7.482 4.315 ( 1.388 5.227 -0.759) 5.461 4.418 ( 2.866 6.358 3.484) 7.796 4.454 ( 0.670 3.326 -3.549) 4.910 4.788 ( 1.538 5.324 5.755) 7.989 4.851 ( 0.650 4.434 0.328) 4.494 4.959 ( 0.965 3.171 2.475) 4.137 5.028 ( 0.135 1.659 -4.865) 5.142 5.645 ( -0.294 -2.554 -0.322) 2.591 5.731 ( 0.868 -4.777 -3.492) 5.981 6.065 ( 1.874 0.883 2.006) 2.884 6.134 ( 3.476 -0.289 -1.505) 3.799 6.508 ( 3.718 1.436 11.338) 12.018 6.645 ( -0.755 -1.456 -3.920) 4.250 6.769 ( 1.288 -6.522 -0.420) 6.661 6.810 ( -0.592 -6.676 -5.926) 8.946 7.147 ( -0.551 -0.108 2.273) 2.341 7.244 ( 1.426 3.867 -2.054) 4.605 7.334 ( -0.280 -0.661 1.026) 1.252 7.356 ( -0.178 0.164 -0.788) 0.825 7.477 ( -0.562 -3.571 2.119) 4.190 7.575 ( 0.118 -4.697 -3.651) 5.951 7.870 ( -2.292 -4.278 2.755) 5.581 7.949 ( -1.942 -3.097 -1.934) 4.136 8.355 ( -3.352 5.106 1.021) 6.193 8.458 ( -0.803 2.387 0.293) 2.536 10.996 ( 0.330 12.585 -1.902) 12.732 11.050 ( 4.550 11.212 1.731) 12.223 11.662 ( 2.735 -6.810 5.081) 8.926 11.761 ( 0.257 -5.533 -2.023) 5.896 12.455 ( 2.896 -3.736 4.759) 6.708 12.541 ( -4.538 -6.170 -14.204) 16.138 13.842 ( 1.156 17.311 8.566) 19.349 13.961 ( -1.451 17.082 -3.520) 17.501 14.717 ( 7.612 -4.245 18.393) 20.353 14.776 ( -10.497 -3.400 -16.349) 19.724 15.288 ( 0.980 -1.587 9.785) 9.961 15.621 ( 7.458 -2.576 -7.956) 11.206 15.732 ( -6.072 -8.177 0.485) 10.196 16.036 ( 6.110 -5.799 -1.921) 8.641 16.108 ( 0.395 -3.901 1.227) 4.108 16.124 ( 1.182 -6.080 -2.482) 6.672 ======================= Grid point 136 (68/110) ======================= q-point: (-0.30 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( -8.092 9.174 -3.345) 12.682 1.190 ( -4.852 6.930 -1.643) 8.618 1.251 ( -3.608 2.555 -2.168) 4.924 1.382 ( 0.982 6.134 7.621) 9.832 1.555 ( 1.683 0.230 2.201) 2.780 1.606 ( 1.850 1.451 0.100) 2.353 2.025 ( -2.856 4.671 0.012) 5.475 2.038 ( -4.820 6.760 -4.569) 9.477 2.149 ( -5.329 4.766 -1.266) 7.260 2.389 ( -0.337 3.762 1.665) 4.128 2.427 ( -0.213 1.841 7.918) 8.132 2.524 ( 0.351 -3.964 0.186) 3.984 2.577 ( -2.111 -0.793 -9.084) 9.360 2.774 ( 1.707 3.354 1.566) 4.077 2.880 ( 1.227 -1.514 -5.831) 6.148 2.940 ( -1.800 -4.199 3.047) 5.491 3.076 ( 2.045 3.808 0.040) 4.323 3.241 ( 1.575 -2.473 2.421) 3.802 3.381 ( 1.405 1.167 0.377) 1.865 3.521 ( 2.829 1.435 0.584) 3.225 3.603 ( 0.273 -1.678 -0.511) 1.775 3.699 ( 0.634 -0.239 -2.294) 2.392 3.944 ( -0.067 -0.788 1.317) 1.537 3.984 ( 4.085 -2.287 5.204) 7.000 4.197 ( -1.168 7.320 -2.086) 7.700 4.352 ( 2.759 4.240 0.568) 5.091 4.425 ( 0.163 2.680 -4.617) 5.341 4.447 ( 0.142 8.853 -0.925) 8.902 4.785 ( -1.552 4.713 -1.193) 5.103 4.940 ( 2.929 0.339 -3.326) 4.445 4.996 ( 2.380 0.219 4.786) 5.350 5.023 ( 1.854 2.748 0.149) 3.318 5.615 ( 0.445 -0.218 -2.279) 2.332 5.770 ( 1.827 -4.177 3.477) 5.734 6.105 ( 1.106 0.356 -1.214) 1.680 6.202 ( 4.675 0.013 -2.024) 5.094 6.593 ( 1.838 0.603 -6.327) 6.616 6.670 ( 2.948 2.196 9.957) 10.614 6.770 ( 1.351 -6.023 -4.075) 7.396 6.851 ( 3.506 -6.250 5.930) 9.302 7.151 ( -0.264 -0.722 1.108) 1.349 7.254 ( 0.952 2.509 -1.794) 3.228 7.301 ( -1.549 0.478 -2.042) 2.607 7.361 ( 0.004 -0.656 0.052) 0.658 7.474 ( -0.988 -5.341 1.129) 5.548 7.549 ( -0.561 -4.352 -2.016) 4.829 7.822 ( -4.880 -3.274 1.938) 6.188 7.884 ( -3.396 -2.580 -1.300) 4.458 8.289 ( -3.583 5.106 -0.081) 6.238 8.423 ( -3.081 1.401 0.294) 3.397 10.998 ( 1.991 12.583 -2.254) 12.937 11.203 ( 8.699 10.913 3.850) 14.477 11.735 ( 1.125 -5.309 -1.893) 5.748 11.751 ( 2.078 -8.511 0.129) 8.762 12.404 ( -1.307 -1.449 -5.113) 5.473 12.615 ( 5.737 -6.577 12.883) 15.561 13.694 ( -8.464 13.200 -11.402) 19.388 13.926 ( -6.362 13.044 -7.421) 16.300 14.577 ( 0.064 -0.963 0.148) 0.976 14.984 ( 2.265 1.971 12.716) 13.066 15.374 ( 3.827 -5.829 7.043) 9.911 15.588 ( -6.433 -15.059 -1.804) 16.475 15.773 ( 11.146 4.763 -4.845) 13.054 16.092 ( 0.653 -2.709 0.261) 2.799 16.125 ( 0.399 -3.272 1.303) 3.544 16.180 ( 7.383 -7.510 -3.635) 11.141 ======================= Grid point 137 (69/110) ======================= q-point: (-0.20 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -5.476 10.301 -0.384) 11.673 1.116 ( -4.356 -1.324 -3.960) 6.034 1.188 ( 0.374 14.532 6.640) 15.982 1.454 ( -0.148 4.117 5.928) 7.219 1.546 ( -3.090 6.559 -4.550) 8.560 1.627 ( 2.671 5.327 -1.572) 6.162 1.846 ( -7.000 6.301 -8.754) 12.858 2.014 ( -0.449 -0.476 6.666) 6.698 2.105 ( -4.643 -0.387 3.240) 5.675 2.365 ( -2.393 0.761 -9.491) 9.817 2.405 ( 1.329 1.014 1.022) 1.960 2.549 ( -0.282 -3.568 7.275) 8.108 2.554 ( 0.201 -2.231 0.979) 2.444 2.767 ( -0.823 2.161 -4.514) 5.072 2.893 ( 1.781 -4.184 1.570) 4.810 2.900 ( -0.367 0.578 -3.600) 3.664 3.148 ( 3.126 3.850 2.218) 5.433 3.318 ( 3.402 -1.965 4.682) 6.112 3.411 ( 1.814 0.331 -0.740) 1.987 3.534 ( -0.925 0.400 -1.586) 1.879 3.626 ( 0.710 2.173 0.694) 2.389 3.685 ( 0.350 4.332 -0.791) 4.417 3.970 ( 0.984 0.104 2.298) 2.502 4.088 ( 1.667 -2.328 0.390) 2.890 4.162 ( 1.711 7.127 -1.501) 7.482 4.384 ( 0.166 3.000 -5.592) 6.348 4.439 ( 3.738 4.252 1.869) 5.962 4.457 ( 0.987 7.064 4.521) 8.444 4.727 ( -2.147 1.091 -3.876) 4.564 4.943 ( 2.628 1.134 -4.505) 5.337 5.053 ( 0.726 -4.516 1.809) 4.919 5.069 ( 1.455 1.222 -0.854) 2.083 5.678 ( 4.549 2.974 5.989) 8.087 5.817 ( 0.150 -2.180 0.974) 2.393 6.083 ( -0.622 0.286 -3.287) 3.358 6.268 ( 3.576 -1.778 -1.608) 4.305 6.612 ( 3.965 1.530 -4.527) 6.209 6.743 ( 1.400 -0.152 0.944) 1.696 6.824 ( 4.076 -0.258 1.808) 4.467 6.977 ( 3.632 -3.333 7.435) 8.921 7.157 ( -0.407 -1.010 1.669) 1.993 7.225 ( -1.550 -1.383 -4.343) 4.815 7.275 ( 0.631 1.125 -1.438) 1.931 7.352 ( -0.943 -0.277 -0.079) 0.986 7.457 ( -1.541 -8.139 -0.800) 8.322 7.521 ( -1.566 -3.836 0.996) 4.261 7.714 ( -7.369 -1.670 0.985) 7.620 7.808 ( -3.497 -1.888 -0.772) 4.048 8.234 ( -1.764 4.707 -0.429) 5.045 8.351 ( -4.384 1.149 0.169) 4.535 11.036 ( 3.116 12.344 -0.696) 12.750 11.415 ( 10.362 9.506 0.536) 14.072 11.734 ( 1.476 -8.772 0.051) 8.895 11.804 ( 3.022 -7.961 -1.110) 8.587 12.396 ( 1.504 3.760 1.559) 4.339 12.863 ( 6.937 -7.130 17.664) 20.272 13.430 ( -9.468 7.528 -11.439) 16.648 13.621 ( -11.807 4.936 -15.501) 20.101 14.710 ( 5.850 5.275 10.793) 13.362 14.962 ( -4.202 4.899 -7.166) 9.644 15.430 ( -7.111 -11.333 -2.329) 13.580 15.569 ( 5.586 -10.652 8.315) 14.622 15.932 ( 7.944 5.740 -3.380) 10.367 16.119 ( 1.068 -0.328 -2.254) 2.516 16.131 ( 1.402 -4.355 2.273) 5.109 16.339 ( 9.606 -6.772 2.675) 12.054 ======================= Grid point 138 (70/110) ======================= q-point: (-0.10 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -2.766 10.839 4.611) 12.099 0.997 ( -3.024 0.116 -5.289) 6.094 1.290 ( -0.821 15.803 4.969) 16.587 1.418 ( -0.949 5.927 -5.103) 7.878 1.509 ( 2.749 7.724 4.614) 9.408 1.641 ( -2.840 7.010 -7.551) 10.688 1.728 ( 1.784 5.413 4.796) 7.448 1.959 ( -7.334 -2.810 -7.254) 10.692 2.076 ( -0.538 -3.128 7.471) 8.118 2.285 ( 0.269 -2.905 -6.697) 7.305 2.459 ( 1.879 -0.024 1.650) 2.501 2.530 ( -1.910 -3.054 0.830) 3.697 2.574 ( -2.424 -1.272 0.943) 2.895 2.759 ( 1.638 0.791 1.884) 2.619 2.841 ( -0.716 0.858 -4.755) 4.884 2.964 ( 2.867 -5.570 0.009) 6.265 3.219 ( 1.669 4.721 3.905) 6.350 3.402 ( 0.162 -2.800 2.060) 3.480 3.448 ( 3.276 0.168 0.004) 3.281 3.501 ( -0.500 0.859 -0.620) 1.171 3.613 ( -0.943 4.511 -0.347) 4.622 3.703 ( 0.462 4.537 1.878) 4.932 3.970 ( -0.066 -0.150 -5.680) 5.683 4.125 ( 1.155 -1.055 2.969) 3.356 4.220 ( 2.954 6.621 3.341) 7.983 4.350 ( 0.902 4.924 -4.004) 6.410 4.455 ( -0.780 6.640 0.701) 6.722 4.568 ( 2.955 3.350 2.710) 5.224 4.694 ( 1.243 -2.855 1.910) 3.652 4.967 ( 2.848 1.223 -2.905) 4.248 5.014 ( -1.787 -4.315 -3.473) 5.820 5.135 ( 2.577 -0.618 4.519) 5.238 5.761 ( -2.468 1.212 -5.003) 5.708 5.837 ( 2.991 0.133 8.143) 8.676 6.061 ( 0.430 0.110 -1.202) 1.281 6.310 ( 1.633 -2.279 -0.325) 2.822 6.650 ( 2.742 3.311 -2.881) 5.175 6.786 ( 3.481 0.434 -1.148) 3.691 6.915 ( 4.661 -0.399 -0.273) 4.686 7.071 ( 0.712 3.225 1.209) 3.517 7.149 ( -1.675 -1.000 0.015) 1.951 7.163 ( -1.477 -4.140 1.277) 4.578 7.297 ( 0.998 0.813 -0.319) 1.326 7.315 ( -2.681 -3.085 0.283) 4.097 7.395 ( -1.905 -6.363 -2.298) 7.028 7.515 ( -1.011 -6.277 2.513) 6.837 7.588 ( -5.779 -0.939 1.227) 5.982 7.745 ( -2.234 -1.559 -1.332) 3.032 8.218 ( 0.242 4.144 -0.276) 4.160 8.273 ( -3.621 2.237 0.219) 4.262 11.100 ( 2.878 11.886 2.069) 12.404 11.544 ( 5.703 4.336 -7.099) 10.086 11.803 ( 2.600 -6.970 3.656) 8.289 11.854 ( 2.877 -10.745 -0.118) 11.124 12.449 ( 1.280 6.654 1.211) 6.883 13.078 ( -3.044 -14.128 -1.192) 14.501 13.186 ( -2.017 12.018 2.214) 12.386 13.394 ( -2.346 5.790 2.911) 6.892 14.784 ( -4.916 4.905 -13.140) 14.862 14.903 ( 4.968 2.967 9.544) 11.161 15.267 ( -5.047 -6.648 -7.474) 11.204 15.640 ( -0.373 -15.301 -4.856) 16.057 16.023 ( 2.001 2.619 2.133) 3.926 16.091 ( -0.641 -2.281 -1.420) 2.762 16.252 ( 6.473 2.134 6.471) 9.398 16.539 ( 6.649 -4.538 4.379) 9.164 ======================= Grid point 139 (71/110) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 1.454 8.983 6.368) 11.107 0.955 ( 2.075 -3.155 1.751) 4.162 1.398 ( -3.864 6.335 -5.076) 8.991 1.442 ( -1.095 1.566 -2.163) 2.886 1.589 ( -4.228 0.764 -8.962) 9.938 1.643 ( -3.066 -3.901 -6.703) 8.340 1.945 ( 4.707 6.556 5.702) 9.881 2.009 ( 5.215 8.473 6.910) 12.114 2.084 ( 0.464 0.164 4.619) 4.646 2.180 ( 1.773 -3.102 -3.853) 5.255 2.376 ( -0.143 -6.009 4.351) 7.421 2.391 ( -2.076 -4.905 -0.597) 5.360 2.585 ( -1.830 4.944 -5.557) 7.660 2.694 ( -1.218 -4.979 -5.635) 7.618 2.913 ( 1.118 3.061 3.288) 4.629 2.945 ( 1.271 -0.541 2.402) 2.771 3.330 ( 0.243 1.046 2.945) 3.135 3.358 ( -0.832 -1.734 1.493) 2.435 3.508 ( 0.670 1.444 1.960) 2.525 3.519 ( 0.342 0.499 1.712) 1.816 3.680 ( -0.184 3.346 -2.202) 4.010 3.744 ( -0.507 -1.771 -1.270) 2.237 3.926 ( -1.784 3.006 -5.411) 6.441 4.005 ( -2.733 -4.134 -7.630) 9.098 4.406 ( 1.432 4.126 4.716) 6.428 4.481 ( 1.199 -0.012 0.061) 1.200 4.573 ( -0.418 2.505 1.347) 2.875 4.589 ( -0.431 1.560 0.410) 1.669 4.802 ( 2.899 4.666 7.378) 9.198 4.932 ( 1.994 -5.951 4.444) 7.690 5.019 ( 0.791 3.713 -2.125) 4.350 5.113 ( -0.389 -4.380 -0.318) 4.409 5.734 ( -2.094 3.323 -3.545) 5.291 5.800 ( -2.813 -2.916 -3.721) 5.501 6.180 ( 2.912 4.052 5.645) 7.534 6.273 ( 1.556 -4.111 2.798) 5.211 6.728 ( -0.030 3.132 -3.239) 4.506 6.795 ( 0.483 -2.945 -4.090) 5.063 6.971 ( -2.101 1.820 0.648) 2.854 7.009 ( -3.841 -1.476 -1.686) 4.447 7.127 ( -0.922 0.441 0.622) 1.196 7.174 ( 0.047 -3.205 -1.661) 3.610 7.205 ( 1.632 1.779 1.249) 2.718 7.269 ( 1.103 -3.196 -1.090) 3.552 7.356 ( 1.484 1.012 3.295) 3.752 7.422 ( 1.789 -3.812 1.488) 4.466 7.563 ( -1.287 3.836 0.617) 4.093 7.647 ( -0.711 -3.658 -1.826) 4.149 8.280 ( -0.212 1.667 0.273) 1.702 8.286 ( 0.461 1.069 0.029) 1.164 11.378 ( 1.257 9.214 3.786) 10.041 11.542 ( 0.438 -4.599 -0.400) 4.637 11.690 ( -0.936 -1.990 -1.429) 2.623 11.746 ( -0.094 -5.328 -1.603) 5.565 12.530 ( -3.628 4.898 -4.692) 7.692 12.651 ( -6.483 -6.909 -9.715) 13.570 13.597 ( 8.456 9.169 18.214) 22.075 13.685 ( 9.274 1.483 19.000) 21.194 14.722 ( -4.796 8.659 -14.743) 17.758 14.930 ( -5.639 -7.884 -18.409) 20.805 15.074 ( 2.266 1.693 3.715) 4.669 15.235 ( -1.554 -11.745 -5.136) 12.913 16.049 ( -0.242 0.134 0.088) 0.290 16.058 ( -0.047 -0.825 -0.204) 0.851 16.484 ( 1.919 3.024 7.052) 7.909 16.549 ( -0.390 -3.199 4.095) 5.211 ======================= Grid point 140 (72/110) ======================= q-point: ( 0.10 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 4.521 8.637 5.005) 10.959 1.042 ( 5.778 -1.369 -0.915) 6.008 1.325 ( -1.417 7.190 1.374) 7.456 1.410 ( -1.365 1.733 0.274) 2.223 1.482 ( -0.925 -2.132 -2.681) 3.548 1.531 ( -2.772 -4.465 -6.146) 8.086 2.080 ( 3.308 5.831 2.183) 7.050 2.108 ( 2.971 5.485 2.034) 6.561 2.155 ( 3.326 2.251 1.610) 4.327 2.188 ( 3.052 1.426 -5.688) 6.611 2.362 ( -0.652 -2.316 0.637) 2.489 2.401 ( -0.511 -4.149 2.580) 4.912 2.565 ( 2.728 -0.990 1.061) 3.090 2.632 ( -0.264 -6.259 -5.618) 8.415 2.943 ( -0.205 3.486 1.719) 3.892 2.966 ( -0.309 0.891 0.337) 1.001 3.323 ( -3.733 0.257 1.326) 3.970 3.330 ( -2.615 -0.869 2.495) 3.717 3.510 ( -2.096 4.103 0.117) 4.609 3.547 ( 0.896 0.943 2.092) 2.464 3.664 ( -0.404 -1.169 0.509) 1.337 3.692 ( -2.225 -3.267 -4.266) 5.815 3.901 ( 1.378 1.068 0.052) 1.744 3.921 ( -0.410 -0.943 -3.483) 3.632 4.424 ( -2.368 4.335 1.004) 5.040 4.478 ( -0.765 -0.259 -0.405) 0.904 4.570 ( -1.550 2.090 0.793) 2.720 4.584 ( -0.301 0.309 1.463) 1.525 4.879 ( 0.485 6.071 3.354) 6.952 4.962 ( 0.467 1.737 -0.787) 1.963 5.039 ( -1.780 -2.467 -1.078) 3.227 5.087 ( 0.073 -3.671 -0.359) 3.689 5.705 ( -0.000 0.369 1.805) 1.842 5.722 ( -1.554 -1.156 -2.001) 2.785 6.252 ( -0.520 2.534 2.692) 3.733 6.293 ( -0.505 -1.057 -0.260) 1.200 6.679 ( -3.274 0.673 -2.250) 4.029 6.720 ( -3.205 -2.819 -5.062) 6.621 6.887 ( -5.295 1.474 2.195) 5.918 6.911 ( -4.788 -1.009 2.151) 5.345 7.144 ( -0.057 1.547 1.663) 2.272 7.225 ( 3.203 -5.298 -0.249) 6.196 7.236 ( 2.165 0.533 -0.632) 2.317 7.281 ( 1.828 -2.819 -1.606) 3.724 7.399 ( 1.055 4.280 0.469) 4.433 7.488 ( 3.241 -3.957 0.279) 5.123 7.592 ( 3.105 2.190 2.080) 4.332 7.651 ( 2.988 -2.946 -1.738) 4.542 8.290 ( 1.202 2.121 -0.098) 2.440 8.307 ( 1.593 0.424 0.119) 1.653 11.420 ( -0.749 8.904 4.796) 10.141 11.493 ( -4.004 3.407 -5.150) 7.360 11.650 ( -1.982 -4.945 1.488) 5.532 11.704 ( -2.961 -8.448 -1.818) 9.135 12.484 ( 0.183 -0.453 3.329) 3.365 12.503 ( -2.729 -2.212 -2.901) 4.556 13.898 ( 7.741 11.880 10.937) 17.907 13.985 ( 7.572 5.531 5.504) 10.873 14.557 ( -1.157 1.215 -3.950) 4.291 14.656 ( -5.479 -5.658 -17.987) 19.636 15.146 ( 1.568 -4.126 0.898) 4.504 15.189 ( 1.557 -7.374 -2.296) 7.878 16.045 ( -0.356 -0.379 0.400) 0.656 16.052 ( -0.362 -0.893 -0.046) 0.965 16.475 ( -8.019 2.017 2.858) 8.749 16.517 ( -5.169 -1.996 3.848) 6.746 ======================= Grid point 141 (73/110) ======================= q-point: ( 0.20 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 4.401 8.245 -2.207) 9.603 1.115 ( 4.381 1.488 -5.731) 7.365 1.370 ( 1.669 3.189 3.939) 5.336 1.419 ( 0.510 1.558 4.556) 4.842 1.484 ( 1.753 -0.172 2.931) 3.419 1.544 ( 4.532 -4.374 10.135) 11.933 2.077 ( -0.172 11.343 -5.966) 12.818 2.107 ( 0.466 4.927 -11.216) 12.259 2.209 ( 2.028 -4.260 -7.027) 8.464 2.243 ( 4.838 -0.833 2.832) 5.667 2.373 ( -0.844 0.498 3.567) 3.699 2.435 ( 1.560 -4.089 4.403) 6.209 2.611 ( 2.241 -0.623 -1.646) 2.849 2.677 ( 5.758 -5.270 2.646) 8.242 2.919 ( -2.647 4.392 -1.635) 5.382 2.953 ( -0.423 0.856 -0.953) 1.349 3.245 ( -4.941 1.300 0.892) 5.186 3.287 ( -3.440 -2.725 2.090) 4.861 3.451 ( -2.626 4.381 -1.300) 5.270 3.537 ( -2.546 -2.703 -2.661) 4.568 3.640 ( -0.124 0.960 2.106) 2.318 3.687 ( -0.631 -2.892 3.996) 4.973 3.924 ( 1.582 2.410 0.728) 2.973 3.962 ( 2.561 -1.518 3.522) 4.611 4.353 ( -4.242 3.474 -1.663) 5.730 4.412 ( -4.847 -2.703 -2.962) 6.290 4.552 ( -1.469 4.618 -1.300) 5.017 4.585 ( 0.050 1.538 1.526) 2.167 4.854 ( -2.348 4.600 -4.984) 7.178 4.935 ( -3.778 -1.330 -4.669) 6.151 4.982 ( 1.463 4.491 0.996) 4.827 5.092 ( -0.683 -4.763 0.596) 4.849 5.712 ( 0.447 2.002 3.231) 3.827 5.766 ( 1.414 -3.113 5.922) 6.838 6.178 ( -4.717 3.643 -5.171) 7.890 6.246 ( -3.791 -2.617 -2.771) 5.376 6.563 ( -5.771 1.725 -2.045) 6.361 6.624 ( -4.503 -3.827 -1.607) 6.124 6.859 ( -0.929 1.730 5.731) 6.058 6.904 ( -0.333 -2.330 7.406) 7.771 7.129 ( -1.616 2.173 -0.572) 2.768 7.206 ( -1.399 -4.548 -3.568) 5.948 7.305 ( 3.307 -0.720 -0.151) 3.388 7.321 ( 2.180 -2.201 -0.019) 3.098 7.414 ( 1.079 5.436 -1.279) 5.687 7.526 ( 1.370 -5.121 -1.271) 5.451 7.685 ( 4.268 1.482 1.902) 4.902 7.730 ( 5.569 -2.415 -0.544) 6.095 8.325 ( 2.640 2.286 -0.342) 3.509 8.349 ( 2.622 -0.006 0.111) 2.624 11.339 ( -6.031 8.620 -4.353) 11.385 11.436 ( -1.986 5.832 4.209) 7.462 11.588 ( -4.995 -6.776 -2.902) 8.905 11.655 ( -1.153 -6.289 1.749) 6.629 12.493 ( 0.489 2.906 4.372) 5.272 12.590 ( 3.812 -6.416 11.481) 13.694 13.886 ( -2.934 11.153 -19.384) 22.555 13.981 ( -1.796 3.636 -19.840) 20.250 14.576 ( 3.541 4.068 8.613) 10.162 14.724 ( 8.170 -7.768 17.972) 21.215 15.128 ( 0.027 1.771 -3.837) 4.226 15.272 ( 4.675 -11.451 2.611) 12.641 16.041 ( -0.335 -0.675 0.204) 0.781 16.047 ( -0.392 -1.175 0.387) 1.298 16.277 ( -12.603 5.124 -1.093) 13.649 16.383 ( -10.486 -4.804 0.055) 11.534 ======================= Grid point 142 (74/110) ======================= q-point: ( 0.30 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 4.119 6.020 -7.416) 10.402 1.150 ( 3.652 -0.651 -3.237) 4.924 1.422 ( 1.304 2.603 4.067) 5.002 1.456 ( 0.284 0.354 3.183) 3.215 1.664 ( 7.535 7.187 12.737) 16.452 1.776 ( 7.686 -2.443 13.836) 16.015 1.954 ( -2.561 9.519 -11.348) 15.032 2.085 ( 2.803 5.076 -7.568) 9.534 2.150 ( -0.713 -5.581 -8.754) 10.406 2.273 ( -0.396 -9.731 -3.426) 10.324 2.423 ( 2.234 4.700 5.640) 7.674 2.511 ( 2.236 -3.093 3.776) 5.369 2.674 ( 3.534 5.486 0.873) 6.584 2.793 ( 4.246 -4.985 0.201) 6.551 2.832 ( -3.527 6.601 -3.273) 8.168 2.934 ( 0.113 -2.691 -2.106) 3.419 3.162 ( -3.983 2.687 0.052) 4.804 3.245 ( -2.378 -4.546 1.404) 5.319 3.410 ( -1.523 2.819 0.472) 3.238 3.462 ( -2.735 -2.176 -0.984) 3.631 3.678 ( -1.221 0.492 3.196) 3.456 3.687 ( 0.024 -0.230 2.503) 2.514 3.965 ( 0.630 2.624 2.303) 3.548 4.029 ( 0.297 -3.335 3.514) 4.854 4.255 ( -3.637 2.022 -2.091) 4.657 4.276 ( -4.301 -0.396 -4.554) 6.276 4.496 ( -2.398 5.812 -1.726) 6.520 4.595 ( -0.949 -2.621 0.431) 2.821 4.760 ( -1.496 6.612 -4.784) 8.297 4.861 ( -1.536 -1.558 -1.222) 2.506 5.019 ( 1.317 3.546 0.967) 3.904 5.083 ( -0.179 -1.962 -0.208) 1.981 5.757 ( 0.274 2.338 4.250) 4.859 5.814 ( -0.955 -2.757 2.340) 3.740 6.047 ( -3.591 3.387 -4.007) 6.358 6.130 ( -4.746 -4.010 -3.527) 7.144 6.454 ( -4.686 2.949 0.215) 5.541 6.536 ( -3.626 -4.828 0.089) 6.038 6.902 ( -0.668 1.962 5.356) 5.743 6.967 ( -1.037 -3.938 7.376) 8.426 7.096 ( 0.044 2.043 -1.153) 2.346 7.143 ( -0.636 -2.422 -5.624) 6.156 7.348 ( 0.758 -0.962 -0.033) 1.226 7.350 ( 1.632 -1.474 -0.620) 2.285 7.423 ( 0.800 4.479 -0.775) 4.615 7.530 ( 0.543 -5.151 -1.845) 5.498 7.769 ( 3.017 1.731 1.285) 3.708 7.827 ( 4.614 -3.232 -0.538) 5.659 8.381 ( 3.190 2.311 0.085) 3.940 8.405 ( 2.887 0.052 0.484) 2.928 11.213 ( -4.222 9.313 -2.281) 10.477 11.413 ( -3.864 -7.888 1.172) 8.861 11.477 ( -3.487 8.542 0.064) 9.227 11.652 ( -0.375 -6.126 0.883) 6.201 12.544 ( 0.049 7.549 3.886) 8.491 12.765 ( 3.377 -13.378 10.449) 17.308 13.680 ( -1.666 7.726 -15.408) 17.317 13.746 ( -2.617 1.663 -16.970) 17.251 14.776 ( 5.263 9.199 12.991) 16.765 14.991 ( 3.499 -9.690 7.706) 12.865 15.135 ( 4.919 8.575 4.008) 10.667 15.384 ( 4.783 -14.129 1.636) 15.006 15.990 ( -11.181 5.000 -6.131) 13.696 16.031 ( -1.694 -1.269 -0.691) 2.226 16.051 ( -2.537 0.199 1.571) 2.991 16.148 ( -11.181 -6.474 -2.903) 13.242 ======================= Grid point 143 (75/110) ======================= q-point: ( 0.40 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 4.759 5.317 -4.096) 8.228 1.199 ( 3.152 -3.185 -1.547) 4.741 1.461 ( -0.959 2.988 -0.010) 3.138 1.475 ( 0.487 1.298 2.649) 2.990 1.784 ( -3.290 8.983 -11.035) 14.605 1.868 ( 1.275 6.337 -2.857) 7.067 1.961 ( 2.491 2.813 6.715) 7.695 2.134 ( 6.381 -7.358 11.646) 15.182 2.144 ( 3.437 2.698 0.027) 4.370 2.255 ( 0.940 -6.941 -0.642) 7.034 2.481 ( -0.198 4.206 -0.242) 4.217 2.540 ( -0.711 0.054 -0.343) 0.791 2.711 ( 0.324 4.837 -0.410) 4.865 2.796 ( 1.603 7.510 -0.855) 7.726 2.820 ( 0.083 -4.200 -1.282) 4.392 2.949 ( 2.377 -6.433 -1.410) 7.002 3.103 ( -1.518 4.326 -0.927) 4.677 3.210 ( -1.850 -5.341 -0.916) 5.726 3.381 ( -1.775 2.448 0.997) 3.185 3.431 ( -1.626 -2.176 1.789) 3.253 3.636 ( -2.288 2.993 -1.711) 4.138 3.701 ( -1.388 -2.880 -1.321) 3.459 3.958 ( -1.618 0.374 -0.767) 1.829 3.988 ( -2.902 -1.967 -2.699) 4.425 4.235 ( 1.266 2.070 4.328) 4.962 4.256 ( 0.738 -0.379 4.848) 4.919 4.447 ( -1.465 6.076 -0.784) 6.299 4.549 ( -1.817 -3.008 -2.344) 4.224 4.759 ( 1.371 6.309 2.871) 7.066 4.845 ( -0.092 -0.840 0.526) 0.996 5.043 ( 0.588 2.905 0.220) 2.972 5.083 ( 0.285 -0.208 -0.412) 0.542 5.731 ( -3.166 2.989 -4.834) 6.506 5.778 ( -1.713 -1.951 -1.797) 3.157 6.017 ( 0.315 -0.263 2.290) 2.326 6.045 ( -2.314 -2.588 0.426) 3.498 6.398 ( -2.184 3.781 2.760) 5.166 6.496 ( -1.504 -5.537 2.242) 6.160 6.877 ( -2.916 0.643 -2.593) 3.954 6.925 ( -3.960 -3.501 -3.831) 6.528 7.123 ( 0.663 0.775 1.886) 2.144 7.149 ( 2.783 -0.384 3.381) 4.396 7.345 ( 0.083 0.294 -1.803) 1.829 7.368 ( 0.719 -2.065 -0.763) 2.316 7.433 ( 0.462 3.350 0.322) 3.397 7.524 ( 0.398 -4.573 -1.783) 4.925 7.819 ( 1.369 1.806 0.883) 2.433 7.888 ( 2.420 -4.016 -1.172) 4.834 8.438 ( 2.033 2.321 1.265) 3.335 8.459 ( 2.007 0.418 0.970) 2.268 11.147 ( -1.552 8.494 -0.589) 8.655 11.317 ( -3.774 -6.263 -3.064) 7.928 11.466 ( -0.900 9.583 4.534) 10.640 11.653 ( -0.140 -6.555 0.381) 6.568 12.525 ( -1.942 8.195 -3.855) 9.262 12.782 ( -3.320 -16.122 -8.511) 18.530 13.669 ( 5.494 7.697 6.443) 11.443 13.729 ( 5.259 1.810 7.384) 9.244 14.879 ( -2.579 10.452 -2.198) 10.988 15.019 ( 1.478 0.804 4.812) 5.097 15.347 ( 7.172 -4.313 6.083) 10.346 15.414 ( -2.607 -9.831 -7.746) 12.784 15.752 ( -5.207 5.212 -1.952) 7.622 15.872 ( -8.404 -6.906 -3.300) 11.367 16.039 ( -0.600 -0.856 0.310) 1.091 16.057 ( -0.877 -2.107 0.623) 2.366 ======================= Grid point 144 (76/110) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 4.259 2.994 -0.860) 5.277 1.219 ( -0.426 -0.922 -2.292) 2.507 1.431 ( -0.891 4.851 0.377) 4.947 1.490 ( -0.492 -0.105 1.875) 1.941 1.629 ( -4.683 5.704 -8.760) 11.454 1.709 ( -5.457 -1.306 -11.900) 13.157 2.107 ( 2.567 8.336 7.762) 11.676 2.243 ( 3.122 0.441 5.188) 6.071 2.303 ( 1.965 -1.979 5.061) 5.778 2.332 ( 2.153 0.515 4.986) 5.456 2.443 ( -0.376 0.584 4.331) 4.386 2.498 ( -1.869 -3.167 -3.483) 5.065 2.713 ( 0.130 6.171 -2.259) 6.573 2.797 ( 0.386 2.092 -3.226) 3.864 2.835 ( 0.955 2.156 1.655) 2.881 2.955 ( -0.379 -4.160 -2.893) 5.081 3.099 ( 0.945 0.627 0.151) 1.144 3.157 ( -1.735 -3.828 -2.715) 5.004 3.381 ( 0.591 1.474 2.102) 2.635 3.411 ( -1.062 -0.979 0.685) 1.598 3.579 ( -1.178 0.661 -3.075) 3.359 3.627 ( -2.356 -3.444 -4.589) 6.202 3.921 ( -0.580 0.463 -1.348) 1.539 3.951 ( 0.225 -1.869 -1.941) 2.705 4.309 ( -0.195 1.825 5.539) 5.835 4.326 ( 1.530 0.144 7.279) 7.440 4.443 ( 1.907 6.503 0.300) 6.783 4.518 ( 0.324 -0.459 -2.073) 2.147 4.827 ( 1.634 3.526 5.703) 6.901 4.866 ( 1.179 0.506 2.682) 2.973 5.040 ( -0.605 3.344 -0.845) 3.502 5.079 ( -0.276 -0.006 -1.342) 1.370 5.642 ( -1.078 2.292 -5.179) 5.765 5.708 ( -1.772 -3.789 -5.847) 7.189 6.044 ( 0.648 0.363 2.688) 2.789 6.061 ( 1.791 -1.200 2.377) 3.209 6.423 ( 1.205 3.370 6.168) 7.132 6.516 ( 0.859 -5.472 4.492) 7.132 6.780 ( -2.829 -0.917 -6.840) 7.458 6.801 ( -3.094 -2.848 -8.526) 9.506 7.157 ( 0.054 2.732 3.745) 4.636 7.227 ( 1.778 -2.453 4.019) 5.033 7.327 ( -0.084 0.983 -2.508) 2.695 7.367 ( 0.142 -2.148 -1.448) 2.594 7.445 ( 0.212 2.631 0.977) 2.814 7.517 ( 0.409 -3.568 -1.914) 4.070 7.837 ( -0.158 1.291 0.933) 1.601 7.902 ( 0.311 -4.090 -1.661) 4.426 8.467 ( -0.603 2.587 1.943) 3.291 8.490 ( 0.254 0.416 1.121) 1.222 11.144 ( 1.273 7.239 0.748) 7.388 11.244 ( -0.758 0.503 -4.077) 4.178 11.501 ( 0.209 4.144 5.810) 7.140 11.650 ( -0.300 -6.879 -0.314) 6.893 12.442 ( -1.551 4.047 -5.995) 7.398 12.590 ( -4.753 -9.872 -14.218) 17.949 13.912 ( 8.344 10.304 18.148) 22.476 14.032 ( 10.810 0.117 23.786) 26.127 14.706 ( -7.320 12.195 -12.129) 18.692 15.018 ( -8.872 -15.030 -9.013) 19.643 15.204 ( -2.373 8.830 -3.367) 9.744 15.428 ( -0.338 -12.017 -5.012) 13.024 15.771 ( 2.084 2.011 3.121) 4.258 15.814 ( 4.221 -2.544 1.295) 5.095 16.033 ( -0.008 -1.399 0.260) 1.423 16.046 ( -0.623 -2.327 -0.009) 2.409 ======================= Grid point 145 (77/110) ======================= q-point: (-0.40 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -4.496 6.820 -4.890) 9.521 1.236 ( 1.272 -2.816 -1.679) 3.517 1.445 ( -3.505 4.188 -0.631) 5.498 1.463 ( -1.295 5.175 3.326) 6.287 1.519 ( -2.269 -1.915 -2.008) 3.585 1.554 ( -1.154 -1.773 -0.571) 2.191 2.186 ( 0.590 7.527 3.844) 8.472 2.239 ( -2.831 5.733 -4.744) 7.961 2.332 ( 0.470 -4.239 3.367) 5.433 2.380 ( -1.282 -4.393 -1.092) 4.704 2.451 ( -1.173 3.538 6.671) 7.641 2.497 ( -3.168 1.539 2.754) 4.472 2.675 ( -1.529 2.204 -2.626) 3.754 2.761 ( -0.104 -2.262 -5.047) 5.532 2.875 ( 0.779 2.733 2.352) 3.689 2.920 ( 0.262 -0.192 -2.836) 2.855 3.100 ( 0.047 0.131 -0.588) 0.605 3.141 ( 1.317 -3.336 -0.869) 3.690 3.402 ( 0.766 2.527 0.916) 2.795 3.448 ( 3.463 -1.077 1.431) 3.899 3.559 ( 0.665 -1.186 -0.852) 1.604 3.588 ( 1.422 -3.597 -0.841) 3.958 3.916 ( 0.496 0.729 -0.286) 0.927 3.941 ( 0.239 -1.217 -1.933) 2.297 4.334 ( -0.538 4.202 3.331) 5.389 4.380 ( 0.331 0.348 3.169) 3.206 4.505 ( 2.131 2.365 -1.384) 3.471 4.517 ( 1.697 1.843 -1.123) 2.746 4.892 ( 0.733 3.784 3.159) 4.983 4.920 ( 1.446 1.282 2.228) 2.949 5.022 ( -0.416 2.605 0.420) 2.671 5.049 ( -0.594 0.078 -2.528) 2.598 5.616 ( 0.784 -0.036 -1.695) 1.868 5.647 ( 0.495 -2.948 -3.811) 4.843 6.092 ( 2.344 1.496 0.933) 2.933 6.121 ( 3.356 -1.115 0.079) 3.537 6.537 ( 3.959 1.891 9.515) 10.478 6.595 ( 2.753 -3.274 5.100) 6.656 6.678 ( -0.941 -1.524 -6.993) 7.219 6.701 ( -0.658 -3.449 -7.040) 7.867 7.176 ( -0.859 3.341 2.797) 4.441 7.273 ( 0.208 -4.694 2.684) 5.411 7.307 ( 0.153 1.752 -2.691) 3.215 7.348 ( -0.714 -1.678 -2.160) 2.827 7.454 ( -0.207 2.142 1.003) 2.375 7.507 ( 0.223 -2.432 -2.274) 3.337 7.828 ( -1.727 0.499 1.265) 2.198 7.877 ( -1.477 -3.513 -1.503) 4.097 8.444 ( -3.001 3.190 1.201) 4.542 8.481 ( -2.107 -0.300 0.963) 2.336 11.199 ( 2.909 6.652 -0.253) 7.265 11.233 ( 3.358 4.758 -2.016) 6.162 11.562 ( 1.276 -1.323 5.468) 5.769 11.633 ( -0.676 -6.289 -1.535) 6.509 12.404 ( 0.960 -0.769 -0.755) 1.443 12.434 ( -1.845 -3.602 -7.673) 8.675 14.202 ( 2.228 16.078 12.589) 20.541 14.300 ( -2.058 12.473 0.423) 12.648 14.588 ( 3.896 -6.944 10.311) 13.027 14.662 ( -7.848 -8.315 -12.891) 17.231 15.234 ( 0.378 -0.762 4.936) 5.009 15.340 ( -2.662 -11.458 -5.806) 13.118 15.831 ( 3.786 6.443 -2.223) 7.796 15.944 ( 7.676 -4.295 -2.377) 9.112 16.036 ( 0.015 -1.410 0.201) 1.424 16.051 ( 1.329 -2.129 0.952) 2.684 ======================= Grid point 146 (78/110) ======================= q-point: (-0.30 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -5.688 10.314 -5.009) 12.799 1.166 ( -4.834 -5.973 -5.207) 9.282 1.376 ( -1.759 6.486 2.936) 7.334 1.467 ( 0.130 -0.574 3.565) 3.613 1.557 ( 1.861 1.826 8.460) 8.853 1.608 ( 1.608 -1.534 5.114) 5.576 2.122 ( -3.803 5.432 -5.030) 8.323 2.178 ( -3.894 4.262 -2.036) 6.122 2.265 ( -6.936 3.828 -6.638) 10.336 2.354 ( -0.244 -2.674 0.869) 2.822 2.425 ( -2.915 -2.525 -1.149) 4.024 2.481 ( -2.429 -3.074 4.060) 5.642 2.603 ( -1.348 6.234 -0.427) 6.392 2.752 ( -0.656 -7.178 2.519) 7.636 2.875 ( -0.004 3.913 -3.100) 4.992 2.921 ( 0.506 -0.312 -1.662) 1.765 3.130 ( 3.327 1.772 -0.580) 3.814 3.181 ( 2.840 -3.073 1.635) 4.493 3.435 ( 1.738 3.881 0.203) 4.257 3.512 ( 1.850 -2.720 -0.194) 3.295 3.600 ( 3.297 1.792 2.356) 4.431 3.658 ( 3.739 -3.126 2.744) 5.593 3.932 ( 0.777 0.041 1.016) 1.280 3.947 ( 1.726 -1.285 1.642) 2.707 4.338 ( -0.537 5.546 -0.728) 5.619 4.400 ( 0.902 -0.118 -0.656) 1.122 4.499 ( 0.799 3.702 -2.638) 4.616 4.545 ( 0.927 0.171 -1.048) 1.409 4.866 ( -2.586 3.788 -3.466) 5.749 4.932 ( 0.134 -1.839 -4.147) 4.539 5.026 ( 0.231 2.518 1.447) 2.914 5.059 ( 1.273 0.120 1.099) 1.686 5.639 ( 2.794 2.164 1.572) 3.868 5.694 ( 3.284 -3.100 3.727) 5.856 6.126 ( 1.557 1.701 -2.811) 3.636 6.173 ( 2.893 -2.439 -2.937) 4.790 6.610 ( 2.469 1.414 -5.977) 6.620 6.661 ( 1.819 -3.504 -4.427) 5.932 6.709 ( 5.092 1.102 10.403) 11.634 6.752 ( 4.675 -3.301 8.091) 9.910 7.170 ( -1.048 3.067 0.730) 3.323 7.275 ( -1.145 -6.058 -0.818) 6.219 7.286 ( -0.607 1.278 -1.865) 2.341 7.315 ( -0.858 -0.740 -1.061) 1.552 7.447 ( -1.140 1.939 0.003) 2.249 7.489 ( -0.487 -1.947 -1.874) 2.746 7.788 ( -3.685 0.235 1.309) 3.918 7.825 ( -2.942 -2.810 -0.769) 4.140 8.381 ( -3.828 3.509 0.186) 5.196 8.429 ( -3.745 -0.986 0.365) 3.889 11.230 ( 3.019 9.676 -3.242) 10.642 11.350 ( 7.114 1.091 2.285) 7.551 11.594 ( -0.518 -3.355 -2.022) 3.951 11.638 ( 1.902 -4.656 2.721) 5.718 12.406 ( 1.738 1.845 1.186) 2.798 12.483 ( 4.342 -5.419 7.747) 10.403 13.958 ( -12.012 10.965 -16.889) 23.448 14.089 ( -13.698 0.230 -19.250) 23.628 14.666 ( 6.912 11.273 14.187) 19.394 14.957 ( 7.719 -10.325 23.323) 26.649 15.202 ( -3.671 -2.434 -4.829) 6.536 15.311 ( -0.107 -9.512 3.959) 10.304 15.898 ( 6.605 5.781 -4.205) 9.733 16.011 ( 2.331 -5.271 -2.666) 6.350 16.086 ( 4.174 0.237 -1.145) 4.334 16.106 ( 5.557 -1.523 -1.178) 5.881 ======================= Grid point 147 (79/110) ======================= q-point: (-0.20 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -5.116 10.076 -1.901) 11.459 1.030 ( -5.064 -6.552 -2.993) 8.805 1.431 ( 2.500 8.305 6.371) 10.762 1.511 ( 0.600 0.636 3.307) 3.421 1.661 ( 0.004 2.001 4.125) 4.584 1.670 ( 2.431 0.384 7.715) 8.098 1.998 ( -6.672 7.163 -8.259) 12.807 2.026 ( -3.447 5.534 -4.721) 8.049 2.118 ( -5.371 -2.133 -3.299) 6.654 2.247 ( -3.653 -11.057 -8.610) 14.482 2.389 ( -1.656 2.487 1.947) 3.566 2.475 ( -2.630 -4.308 3.853) 6.350 2.637 ( 1.327 7.091 5.230) 8.911 2.764 ( -0.299 -4.380 1.263) 4.568 2.852 ( 0.739 1.831 -1.910) 2.747 2.895 ( -0.594 -1.334 -4.106) 4.358 3.204 ( 3.999 2.140 0.937) 4.631 3.261 ( 3.446 -3.221 2.191) 5.200 3.461 ( 1.154 3.487 -0.481) 3.704 3.519 ( -0.124 -1.793 -1.204) 2.163 3.683 ( 2.274 2.877 1.962) 4.159 3.725 ( 1.590 -0.547 0.690) 1.818 3.985 ( 2.438 1.652 4.576) 5.442 4.032 ( 3.427 -2.682 3.925) 5.860 4.305 ( 0.062 6.340 -3.645) 7.314 4.401 ( 1.536 -1.732 -5.072) 5.575 4.518 ( 2.263 2.816 0.883) 3.719 4.551 ( 0.429 -0.284 1.126) 1.238 4.765 ( -3.617 5.482 -5.389) 8.495 4.897 ( -0.528 -5.418 -2.712) 6.082 5.039 ( 0.473 2.663 -0.242) 2.716 5.086 ( 1.131 -0.924 0.093) 1.463 5.745 ( 4.082 2.954 6.088) 7.902 5.786 ( 2.283 -1.186 3.337) 4.214 6.107 ( 0.038 2.423 -4.207) 4.855 6.189 ( 1.912 -4.901 -3.348) 6.236 6.645 ( 5.042 1.795 -4.170) 6.785 6.692 ( 4.336 -2.829 -2.891) 5.930 6.867 ( 3.439 2.678 7.597) 8.759 6.919 ( 4.984 -2.449 9.175) 10.725 7.156 ( -0.179 1.513 -0.643) 1.654 7.213 ( -1.658 -1.498 -5.568) 6.000 7.265 ( -1.438 -1.214 0.157) 1.888 7.298 ( -0.888 -3.217 0.440) 3.366 7.405 ( -2.792 2.061 -1.174) 3.664 7.457 ( -1.839 -2.541 -0.660) 3.205 7.709 ( -5.377 1.387 0.969) 5.637 7.758 ( -3.578 -2.794 -0.164) 4.543 8.317 ( -2.580 3.074 -0.248) 4.021 8.357 ( -3.612 -0.761 0.020) 3.691 11.269 ( 3.121 10.635 -1.594) 11.198 11.491 ( 4.695 -10.004 0.178) 11.053 11.588 ( 2.650 4.879 -0.543) 5.578 11.694 ( 2.443 -4.688 0.544) 5.315 12.504 ( 4.365 6.716 6.612) 10.386 12.674 ( 6.069 -9.419 12.529) 16.809 13.602 ( -11.233 7.375 -14.121) 19.493 13.686 ( -11.946 -0.136 -15.786) 19.797 14.872 ( 3.964 10.424 9.717) 14.791 15.076 ( -4.268 1.272 -7.332) 8.578 15.176 ( 0.249 -6.878 9.699) 11.893 15.329 ( -0.527 -11.516 1.568) 11.635 15.997 ( 4.018 1.778 0.307) 4.404 16.042 ( 1.514 -2.975 0.340) 3.356 16.175 ( 7.707 3.487 -1.958) 8.683 16.245 ( 9.646 -3.363 0.083) 10.216 ======================= Grid point 148 (80/110) ======================= q-point: (-0.10 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -2.067 9.758 3.262) 10.495 0.948 ( -2.280 -5.158 0.528) 5.664 1.475 ( -0.672 4.370 -0.856) 4.504 1.512 ( -2.173 1.535 -4.205) 4.975 1.694 ( -0.155 6.240 4.844) 7.901 1.724 ( -1.459 0.823 -2.727) 3.200 1.858 ( -0.226 7.184 -2.151) 7.502 1.940 ( -2.002 3.875 -3.293) 5.465 2.037 ( 0.024 -2.659 2.404) 3.585 2.185 ( -0.399 -8.870 -0.801) 8.915 2.367 ( -1.450 -0.786 1.506) 2.233 2.440 ( -3.003 -4.917 1.321) 5.911 2.661 ( -1.436 5.525 -2.264) 6.141 2.750 ( -0.549 -2.505 -2.634) 3.677 2.868 ( 0.989 1.282 -0.238) 1.637 2.889 ( 1.909 -1.323 3.043) 3.828 3.282 ( 2.589 1.833 2.119) 3.814 3.332 ( 2.040 -3.311 1.862) 4.312 3.480 ( 1.088 2.149 0.459) 2.452 3.507 ( -0.002 -0.351 -0.316) 0.472 3.700 ( -0.384 3.517 -0.804) 3.628 3.746 ( 0.486 -0.537 0.176) 0.745 4.011 ( -1.233 3.684 -4.732) 6.122 4.084 ( -0.087 -2.815 -1.264) 3.087 4.327 ( 2.444 4.713 2.832) 6.017 4.420 ( 3.876 -1.347 -0.897) 4.200 4.561 ( 1.278 1.883 0.373) 2.306 4.600 ( 0.734 -2.128 1.368) 2.634 4.693 ( 0.513 8.915 2.727) 9.337 4.882 ( 0.315 -7.769 0.645) 7.802 5.036 ( 0.003 3.680 -1.868) 4.127 5.107 ( 0.767 -2.539 0.358) 2.676 5.800 ( -1.175 2.389 -2.473) 3.633 5.837 ( 0.601 -0.758 2.479) 2.661 6.100 ( 1.713 4.030 0.740) 4.441 6.215 ( 2.217 -6.074 0.806) 6.516 6.714 ( 4.332 2.695 -3.130) 5.986 6.762 ( 4.498 -2.056 -2.197) 5.412 6.950 ( 1.823 3.548 1.674) 4.326 7.044 ( 0.909 -5.020 3.566) 6.224 7.153 ( 0.503 1.548 -0.073) 1.629 7.161 ( -0.331 2.496 -1.346) 2.855 7.234 ( -1.646 -3.302 -0.785) 3.772 7.275 ( -1.460 -4.449 -1.188) 4.830 7.338 ( -2.364 2.880 0.445) 3.753 7.417 ( -1.991 -4.075 1.090) 4.665 7.617 ( -4.473 3.310 0.658) 5.604 7.693 ( -2.793 -3.395 -0.691) 4.450 8.285 ( -0.694 2.119 -0.095) 2.232 8.302 ( -2.030 0.408 0.119) 2.074 11.321 ( 2.498 9.977 1.114) 10.345 11.526 ( 0.962 -8.776 -0.160) 8.830 11.669 ( 3.974 1.068 -0.833) 4.199 11.736 ( 1.956 -4.148 -0.783) 4.652 12.604 ( 0.727 8.410 0.097) 8.442 12.806 ( -1.082 -11.301 -0.759) 11.378 13.405 ( -1.437 8.019 4.264) 9.195 13.483 ( -1.565 0.818 4.247) 4.600 14.916 ( -4.277 7.170 -11.087) 13.879 14.988 ( 1.850 3.710 5.306) 6.733 15.138 ( -3.775 -3.114 -7.302) 8.790 15.305 ( -1.672 -15.044 -3.151) 15.461 16.046 ( 0.866 0.285 0.740) 1.175 16.056 ( 0.224 -0.996 -0.306) 1.066 16.339 ( 7.575 5.066 4.182) 10.026 16.443 ( 7.499 -4.812 4.339) 9.911 ======================= Grid point 189 (81/110) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.328 0.000 -17.739) 17.742 0.458 ( -0.328 0.000 17.739) 17.742 0.734 ( -9.651 0.000 -15.815) 18.527 0.734 ( 9.651 0.000 15.815) 18.527 1.485 ( -10.324 0.000 -31.991) 33.616 1.485 ( 10.324 0.000 31.991) 33.616 1.817 ( -3.616 0.000 -0.753) 3.694 1.817 ( 3.616 0.000 0.753) 3.694 2.119 ( -4.378 0.000 -5.550) 7.069 2.119 ( 4.378 0.000 5.550) 7.069 2.247 ( -4.531 0.000 -8.141) 9.317 2.247 ( 4.531 0.000 8.141) 9.317 2.702 ( -1.157 0.000 -3.886) 4.055 2.702 ( 1.157 0.000 3.886) 4.055 3.020 ( -4.202 0.000 -3.296) 5.340 3.020 ( 4.202 0.000 3.296) 5.340 3.217 ( 1.084 0.000 -0.639) 1.259 3.217 ( -1.084 0.000 0.639) 1.259 3.474 ( -0.453 0.000 -2.757) 2.794 3.474 ( 0.453 0.000 2.757) 2.794 3.794 ( 0.444 0.000 -8.972) 8.983 3.794 ( -0.444 0.000 8.972) 8.983 4.034 ( -0.151 0.000 -1.104) 1.114 4.034 ( 0.151 0.000 1.104) 1.114 4.265 ( -1.788 0.000 -4.661) 4.993 4.265 ( 1.788 0.000 4.661) 4.993 4.466 ( -3.086 0.000 -0.364) 3.108 4.466 ( 3.086 0.000 0.364) 3.108 4.922 ( -2.437 0.000 -2.361) 3.393 4.922 ( 2.437 0.000 2.361) 3.393 5.357 ( -13.619 0.000 -4.773) 14.431 5.357 ( 13.619 0.000 4.773) 14.431 6.126 ( 7.748 0.000 -6.869) 10.354 6.126 ( -7.748 0.000 6.869) 10.354 6.163 ( -6.833 0.000 1.359) 6.966 6.163 ( 6.833 0.000 -1.359) 6.966 6.394 ( -4.242 0.000 1.121) 4.387 6.394 ( 4.242 0.000 -1.121) 4.387 6.958 ( -7.216 0.000 1.926) 7.469 6.958 ( 7.216 0.000 -1.926) 7.469 7.116 ( 2.580 0.000 -1.273) 2.876 7.116 ( -2.580 0.000 1.273) 2.876 7.364 ( -1.300 0.000 -5.257) 5.415 7.364 ( 1.300 0.000 5.257) 5.415 7.666 ( 0.250 0.000 -1.265) 1.289 7.666 ( -0.250 0.000 1.265) 1.289 8.033 ( -0.255 0.000 -0.548) 0.605 8.033 ( 0.255 0.000 0.548) 0.605 8.203 ( -4.694 0.000 0.368) 4.708 8.203 ( 4.694 0.000 -0.368) 4.708 10.300 ( 0.013 0.000 -0.769) 0.770 10.300 ( -0.013 0.000 0.769) 0.770 12.089 ( -7.075 0.000 -4.393) 8.328 12.089 ( 7.075 0.000 4.393) 8.328 12.678 ( -2.196 0.000 -3.447) 4.087 12.678 ( 2.196 0.000 3.447) 4.087 13.503 ( -3.215 0.000 -24.953) 25.159 13.503 ( 3.215 0.000 24.953) 25.159 14.969 ( -7.108 0.000 -3.672) 8.000 14.969 ( 7.108 0.000 3.672) 8.000 15.611 ( -18.023 0.000 -5.180) 18.752 15.611 ( 18.023 0.000 5.180) 18.752 16.124 ( -0.138 0.000 -1.939) 1.944 16.124 ( 0.138 0.000 1.939) 1.944 16.565 ( -22.445 0.000 4.828) 22.958 16.565 ( 22.445 0.000 -4.828) 22.958 ======================= Grid point 191 (82/110) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -4.081 0.000 -16.541) 17.037 0.500 ( 13.663 0.000 -8.722) 16.209 0.709 ( 8.698 0.000 19.308) 21.177 1.004 ( -9.424 0.000 -36.552) 37.748 1.045 ( 9.445 0.000 13.539) 16.508 1.705 ( -5.348 0.000 -5.730) 7.838 1.711 ( -0.282 0.000 -2.793) 2.807 1.926 ( -4.606 0.000 -4.364) 6.345 2.042 ( 9.363 0.000 17.543) 19.886 2.217 ( 3.546 0.000 2.633) 4.417 2.221 ( 1.234 0.000 3.032) 3.273 2.478 ( 6.789 0.000 15.664) 17.072 2.648 ( -1.249 0.000 -4.054) 4.242 2.745 ( -0.680 0.000 1.841) 1.962 2.876 ( -5.301 0.000 -4.874) 7.201 3.050 ( -1.420 0.000 -2.726) 3.073 3.226 ( 1.042 0.000 2.960) 3.139 3.226 ( -0.269 0.000 -0.100) 0.287 3.446 ( -0.531 0.000 -1.782) 1.860 3.498 ( -0.914 0.000 3.851) 3.958 3.701 ( -1.954 0.000 -9.686) 9.881 3.788 ( -7.201 0.000 2.555) 7.641 4.002 ( -0.832 0.000 -1.910) 2.083 4.003 ( -3.342 0.000 -1.329) 3.597 4.184 ( -4.231 0.000 -3.763) 5.662 4.326 ( -0.381 0.000 6.473) 6.484 4.390 ( -4.471 0.000 -0.152) 4.474 4.506 ( 0.224 0.000 1.139) 1.161 4.669 ( -29.599 0.000 -21.139) 36.373 4.902 ( -10.104 0.000 -9.287) 13.724 4.958 ( 1.200 0.000 -0.989) 1.555 5.573 ( 5.498 0.000 8.936) 10.491 5.747 ( -7.792 0.000 -3.843) 8.688 5.996 ( -4.944 0.000 -10.442) 11.553 6.131 ( -6.344 0.000 -4.467) 7.759 6.225 ( 2.232 0.000 -0.061) 2.232 6.436 ( 2.963 0.000 2.316) 3.761 6.472 ( -1.643 0.000 0.325) 1.675 7.019 ( 8.649 0.000 0.101) 8.650 7.105 ( 0.003 0.000 2.168) 2.168 7.126 ( 4.660 0.000 2.665) 5.369 7.174 ( 3.608 0.000 0.432) 3.633 7.330 ( 2.619 0.000 -2.741) 3.791 7.430 ( 0.882 0.000 4.687) 4.770 7.685 ( 2.488 0.000 -1.129) 2.732 7.701 ( 2.793 0.000 2.061) 3.471 7.890 ( -10.686 0.000 -1.191) 10.752 7.945 ( -4.426 0.000 -2.273) 4.976 8.219 ( 3.853 0.000 -2.299) 4.487 8.313 ( 5.730 0.000 -2.778) 6.368 10.298 ( 0.204 0.000 -0.538) 0.575 10.308 ( 0.124 0.000 0.586) 0.598 11.937 ( -6.296 0.000 0.084) 6.297 12.215 ( 2.311 0.000 2.257) 3.230 12.651 ( 1.426 0.000 2.280) 2.689 12.730 ( 0.640 0.000 2.092) 2.187 13.278 ( -8.130 0.000 -12.702) 15.081 13.850 ( 7.575 0.000 33.995) 34.829 14.682 ( -13.112 0.000 -11.966) 17.751 15.016 ( -2.120 0.000 -2.640) 3.386 15.386 ( -3.547 0.000 1.513) 3.856 15.491 ( -26.463 0.000 -15.592) 30.715 16.077 ( -2.556 0.000 -2.981) 3.927 16.202 ( 2.228 0.000 -0.478) 2.279 16.551 ( 17.362 0.000 19.795) 26.330 16.808 ( 7.402 0.000 -10.247) 12.641 ======================= Grid point 192 (83/110) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 6.362 0.000 -5.102) 8.155 0.578 ( -1.541 0.000 -24.321) 24.370 0.768 ( 14.599 0.000 -7.416) 16.375 1.038 ( 10.099 0.000 16.311) 19.184 1.248 ( 2.117 0.000 2.537) 3.304 1.612 ( -2.815 0.000 -10.155) 10.538 1.620 ( 3.121 0.000 -0.346) 3.140 1.812 ( -1.852 0.000 -4.357) 4.734 2.260 ( 1.376 0.000 1.444) 1.995 2.283 ( 1.630 0.000 0.603) 1.738 2.386 ( 5.741 0.000 18.146) 19.032 2.564 ( -7.312 0.000 -6.278) 9.637 2.598 ( -0.131 0.000 -2.568) 2.571 2.688 ( -1.257 0.000 8.472) 8.565 2.885 ( 2.393 0.000 5.011) 5.553 2.967 ( -2.678 0.000 -5.438) 6.062 3.164 ( -4.250 0.000 -8.209) 9.244 3.284 ( 2.065 0.000 3.388) 3.968 3.428 ( 0.097 0.000 -1.802) 1.805 3.496 ( -3.293 0.000 -1.730) 3.720 3.534 ( -2.746 0.000 -9.101) 9.506 3.580 ( -2.961 0.000 -8.338) 8.848 3.902 ( -5.149 0.000 -1.824) 5.462 3.990 ( -0.278 0.000 -2.878) 2.891 4.014 ( -3.679 0.000 -2.871) 4.666 4.225 ( -4.526 0.000 -3.665) 5.824 4.280 ( -5.397 0.000 -1.799) 5.689 4.360 ( -2.471 0.000 6.677) 7.119 4.525 ( -0.403 0.000 1.680) 1.727 4.738 ( -5.001 0.000 -4.481) 6.715 4.962 ( 0.951 0.000 -2.681) 2.845 5.696 ( -1.653 0.000 0.184) 1.663 5.742 ( 3.688 0.000 3.717) 5.236 5.767 ( -8.159 0.000 -4.540) 9.337 6.021 ( -1.288 0.000 -0.233) 1.309 6.228 ( -0.701 0.000 -2.538) 2.634 6.438 ( -2.124 0.000 2.396) 3.202 6.502 ( 2.373 0.000 0.615) 2.451 7.118 ( -2.191 0.000 -3.084) 3.784 7.133 ( 3.380 0.000 -3.259) 4.695 7.142 ( 2.106 0.000 3.712) 4.268 7.255 ( 3.600 0.000 0.191) 3.605 7.396 ( 1.664 0.000 2.718) 3.187 7.448 ( -3.196 0.000 4.520) 5.535 7.701 ( -0.303 0.000 -2.116) 2.138 7.705 ( -7.540 0.000 1.178) 7.632 7.809 ( 5.475 0.000 3.742) 6.632 7.909 ( 4.185 0.000 -3.983) 5.777 8.258 ( 2.279 0.000 -2.853) 3.652 8.364 ( 1.765 0.000 -1.820) 2.536 10.296 ( -0.144 0.000 -0.187) 0.236 10.312 ( 0.053 0.000 0.075) 0.092 11.858 ( -3.505 0.000 3.052) 4.648 12.250 ( 2.162 0.000 -0.735) 2.283 12.742 ( 2.448 0.000 7.140) 7.548 12.743 ( -0.406 0.000 1.105) 1.177 12.934 ( -14.868 0.000 -13.287) 19.939 14.147 ( -4.045 0.000 6.164) 7.373 14.482 ( 3.468 0.000 7.128) 7.927 14.795 ( -8.492 0.000 -11.080) 13.960 15.144 ( -3.337 0.000 -2.713) 4.300 15.412 ( 1.187 0.000 6.754) 6.858 15.993 ( -2.066 0.000 -5.331) 5.718 16.205 ( 0.138 0.000 -1.609) 1.615 16.734 ( -4.451 0.000 -10.642) 11.536 16.955 ( 6.484 0.000 13.215) 14.720 ======================= Grid point 193 (84/110) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( 8.693 0.000 6.801) 11.037 0.610 ( 12.656 0.000 3.614) 13.162 0.987 ( 11.025 0.000 -1.732) 11.160 1.229 ( -0.314 0.000 -4.815) 4.825 1.313 ( 6.892 0.000 6.673) 9.593 1.504 ( -0.707 0.000 -2.374) 2.477 1.770 ( -0.668 0.000 -1.835) 1.953 1.777 ( 7.023 0.000 5.862) 9.148 2.253 ( -1.639 0.000 -2.724) 3.179 2.292 ( 0.243 0.000 -1.655) 1.672 2.415 ( -2.991 0.000 -3.732) 4.782 2.443 ( -1.877 0.000 -4.321) 4.711 2.647 ( -4.445 0.000 -3.573) 5.703 2.689 ( 2.823 0.000 9.652) 10.057 2.887 ( -1.242 0.000 -5.466) 5.605 2.899 ( -2.871 0.000 0.692) 2.953 3.077 ( 1.415 0.000 -2.054) 2.494 3.358 ( 2.455 0.000 3.671) 4.417 3.407 ( -0.502 0.000 -4.805) 4.831 3.409 ( -1.935 0.000 -1.601) 2.511 3.483 ( -1.054 0.000 -2.543) 2.753 3.638 ( 6.119 0.000 8.623) 10.573 3.811 ( -3.316 0.000 0.867) 3.427 3.946 ( -2.509 0.000 0.738) 2.615 4.011 ( 1.611 0.000 -1.221) 2.022 4.151 ( -5.586 0.000 -3.353) 6.515 4.173 ( -1.263 0.000 3.567) 3.784 4.349 ( -3.506 0.000 5.052) 6.150 4.458 ( -4.444 0.000 -7.315) 8.560 4.711 ( 0.999 0.000 8.730) 8.787 4.949 ( 0.172 0.000 -4.128) 4.132 5.401 ( -11.666 0.000 -15.743) 19.594 5.763 ( -1.257 0.000 3.868) 4.067 5.866 ( 4.136 0.000 4.995) 6.485 6.075 ( 2.764 0.000 7.231) 7.741 6.175 ( -2.037 0.000 -2.046) 2.887 6.423 ( -1.245 0.000 0.737) 1.446 6.522 ( 0.457 0.000 -3.342) 3.374 7.054 ( -1.374 0.000 -2.750) 3.074 7.136 ( 0.145 0.000 -3.124) 3.127 7.217 ( 2.726 0.000 3.116) 4.140 7.291 ( 0.216 0.000 -1.144) 1.165 7.382 ( -6.132 0.000 3.151) 6.894 7.421 ( 0.617 0.000 0.086) 0.623 7.625 ( -3.590 0.000 4.437) 5.708 7.675 ( 0.272 0.000 -2.928) 2.941 7.945 ( 4.577 0.000 4.917) 6.718 7.993 ( 6.360 0.000 -3.467) 7.243 8.268 ( 1.258 0.000 -2.634) 2.919 8.361 ( -0.955 0.000 -0.450) 1.055 10.291 ( -0.362 0.000 0.396) 0.536 10.311 ( 0.092 0.000 -0.626) 0.633 11.843 ( -1.484 0.000 4.882) 5.102 12.252 ( -1.168 0.000 -8.518) 8.598 12.658 ( -4.584 0.000 2.533) 5.237 12.740 ( -0.440 0.000 0.683) 0.813 12.840 ( 2.336 0.000 4.230) 4.832 13.914 ( -7.837 0.000 -19.948) 21.432 14.694 ( -0.037 0.000 2.869) 2.869 14.741 ( 5.612 0.000 17.277) 18.166 15.100 ( -1.027 0.000 -1.386) 1.725 15.445 ( -5.698 0.000 4.189) 7.072 15.996 ( 7.147 0.000 1.277) 7.260 16.194 ( 0.176 0.000 -1.345) 1.356 16.538 ( -7.217 0.000 -7.794) 10.622 17.022 ( -3.263 0.000 -0.182) 3.268 ======================= Grid point 194 (85/110) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 6.401 0.000 11.034) 12.756 0.922 ( 10.899 0.000 5.899) 12.393 1.161 ( 5.405 0.000 -2.032) 5.774 1.199 ( 3.479 0.000 3.362) 4.838 1.321 ( -2.544 0.000 -4.079) 4.807 1.596 ( 2.619 0.000 0.620) 2.691 1.748 ( 0.198 0.000 2.147) 2.156 1.894 ( 1.028 0.000 1.986) 2.236 2.184 ( -0.520 0.000 -5.108) 5.135 2.280 ( 0.644 0.000 -2.534) 2.615 2.344 ( -4.628 0.000 -1.467) 4.855 2.366 ( -2.469 0.000 -3.162) 4.012 2.565 ( 1.961 0.000 -3.540) 4.047 2.752 ( -2.290 0.000 2.921) 3.712 2.824 ( -0.057 0.000 -5.253) 5.253 2.853 ( -2.843 0.000 2.142) 3.559 3.125 ( 1.823 0.000 4.824) 5.157 3.310 ( -2.073 0.000 -7.745) 8.018 3.383 ( -0.307 0.000 0.452) 0.547 3.416 ( 0.142 0.000 -0.084) 0.165 3.544 ( 4.948 0.000 6.710) 8.337 3.789 ( 1.977 0.000 3.550) 4.064 3.806 ( 0.430 0.000 4.977) 4.996 3.886 ( -2.164 0.000 -0.778) 2.299 3.998 ( -1.600 0.000 -4.218) 4.511 4.028 ( -4.265 0.000 -3.651) 5.614 4.257 ( 1.553 0.000 6.588) 6.769 4.312 ( -3.398 0.000 2.502) 4.220 4.354 ( 1.601 0.000 2.148) 2.679 4.838 ( 2.984 0.000 10.414) 10.833 4.859 ( -5.183 0.000 -11.826) 12.912 5.102 ( -6.710 0.000 -10.249) 12.250 5.777 ( 1.738 0.000 -0.181) 1.748 5.909 ( -2.330 0.000 -0.076) 2.331 6.180 ( 2.616 0.000 3.659) 4.498 6.200 ( 2.366 0.000 10.671) 10.930 6.387 ( -2.262 0.000 -1.715) 2.838 6.463 ( -1.575 0.000 -8.040) 8.193 7.036 ( 0.557 0.000 0.098) 0.566 7.103 ( -0.970 0.000 -2.514) 2.695 7.263 ( -1.188 0.000 -1.754) 2.119 7.268 ( -1.253 0.000 0.409) 1.318 7.323 ( -0.253 0.000 4.195) 4.202 7.422 ( -0.005 0.000 -2.239) 2.239 7.619 ( -1.460 0.000 5.333) 5.529 7.661 ( 0.511 0.000 -3.087) 3.129 8.049 ( 2.358 0.000 4.233) 4.846 8.070 ( 4.276 0.000 -3.356) 5.436 8.271 ( 1.252 0.000 -1.981) 2.343 8.328 ( -2.332 0.000 0.540) 2.394 10.291 ( -0.276 0.000 1.091) 1.125 10.306 ( 0.118 0.000 -1.247) 1.252 11.875 ( 0.067 0.000 6.512) 6.512 12.093 ( -4.110 0.000 -11.824) 12.518 12.727 ( 2.163 0.000 6.124) 6.495 12.743 ( 0.209 0.000 0.808) 0.834 12.952 ( 4.726 0.000 13.046) 13.876 13.587 ( -7.985 0.000 -24.246) 25.527 14.791 ( 3.965 0.000 10.367) 11.099 14.918 ( 2.878 0.000 8.536) 9.008 15.067 ( -0.937 0.000 -2.467) 2.639 15.257 ( -10.359 0.000 -7.091) 12.554 16.201 ( 1.532 0.000 -0.370) 1.576 16.266 ( 12.059 0.000 13.441) 18.058 16.365 ( -5.642 0.000 -3.867) 6.840 16.874 ( -7.621 0.000 -9.310) 12.032 ======================= Grid point 195 (86/110) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -2.750 0.000 -9.754) 10.134 0.956 ( 2.750 0.000 9.754) 10.134 1.228 ( -5.737 0.000 1.040) 5.831 1.228 ( 5.737 0.000 -1.040) 5.831 1.447 ( -7.596 0.000 -16.164) 17.860 1.447 ( 7.596 0.000 16.164) 17.860 1.850 ( -3.945 0.000 -4.064) 5.664 1.850 ( 3.945 0.000 4.064) 5.664 2.212 ( -4.760 0.000 -1.500) 4.990 2.212 ( 4.760 0.000 1.500) 4.990 2.308 ( -2.192 0.000 0.149) 2.197 2.308 ( 2.192 0.000 -0.149) 2.197 2.655 ( -5.996 0.000 -1.860) 6.278 2.655 ( 5.996 0.000 1.860) 6.278 2.825 ( 2.305 0.000 -2.917) 3.718 2.825 ( -2.305 0.000 2.917) 3.718 3.211 ( -2.071 0.000 -7.075) 7.372 3.211 ( 2.071 0.000 7.075) 7.372 3.399 ( -0.768 0.000 -1.423) 1.617 3.399 ( 0.768 0.000 1.423) 1.617 3.708 ( -5.446 0.000 -6.733) 8.660 3.708 ( 5.446 0.000 6.733) 8.660 3.890 ( -2.148 0.000 -6.263) 6.621 3.890 ( 2.148 0.000 6.263) 6.621 3.937 ( -1.808 0.000 -2.985) 3.490 3.937 ( 1.808 0.000 2.985) 3.490 4.271 ( 1.812 0.000 -0.930) 2.037 4.271 ( -1.812 0.000 0.930) 2.037 4.587 ( -8.793 0.000 -16.869) 19.023 4.587 ( 8.793 0.000 16.869) 19.023 4.965 ( -2.730 0.000 -7.819) 8.282 4.965 ( 2.730 0.000 7.819) 8.282 5.834 ( -4.020 0.000 -0.303) 4.031 5.834 ( 4.020 0.000 0.303) 4.031 6.275 ( -2.625 0.000 -1.497) 3.022 6.275 ( 2.625 0.000 1.497) 3.022 6.359 ( -1.018 0.000 -7.974) 8.039 6.359 ( 1.018 0.000 7.974) 8.039 7.064 ( -1.253 0.000 -1.814) 2.205 7.064 ( 1.253 0.000 1.814) 2.205 7.241 ( 0.633 0.000 -1.199) 1.356 7.241 ( -0.633 0.000 1.199) 1.356 7.382 ( -1.668 0.000 -3.435) 3.819 7.382 ( 1.668 0.000 3.435) 3.819 7.641 ( 0.503 0.000 -4.261) 4.290 7.641 ( -0.503 0.000 4.261) 4.290 8.094 ( 0.985 0.000 -3.628) 3.760 8.094 ( -0.985 0.000 3.628) 3.760 8.290 ( 2.157 0.000 -1.305) 2.521 8.290 ( -2.157 0.000 1.305) 2.521 10.297 ( 0.152 0.000 -1.448) 1.456 10.297 ( -0.152 0.000 1.448) 1.456 11.953 ( -1.976 0.000 -8.741) 8.961 11.953 ( 1.976 0.000 8.741) 8.961 12.756 ( -0.328 0.000 -0.269) 0.424 12.756 ( 0.328 0.000 0.269) 0.424 13.238 ( -8.330 0.000 -23.289) 24.734 13.238 ( 8.330 0.000 23.289) 24.734 14.975 ( -3.363 0.000 -7.949) 8.631 14.975 ( 3.363 0.000 7.949) 8.631 15.035 ( -2.819 0.000 0.773) 2.923 15.035 ( 2.819 0.000 -0.773) 2.923 16.253 ( -3.676 0.000 -1.264) 3.887 16.253 ( 3.676 0.000 1.264) 3.887 16.603 ( -10.544 0.000 -14.348) 17.806 16.603 ( 10.544 0.000 14.348) 17.806 ======================= Grid point 201 (87/110) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 4.587 3.711 -15.656) 16.730 0.479 ( -4.587 3.711 15.656) 16.730 0.812 ( -7.943 7.227 -15.168) 18.585 0.812 ( 7.943 7.227 15.168) 18.585 1.545 ( -9.815 4.945 -25.435) 27.707 1.545 ( 9.815 4.945 25.435) 27.707 1.771 ( -1.593 -2.756 -2.839) 4.265 1.771 ( 1.593 -2.756 2.839) 4.265 2.138 ( -5.355 -0.455 -9.189) 10.645 2.138 ( 5.355 -0.455 9.189) 10.645 2.305 ( -3.205 5.752 -4.250) 7.836 2.305 ( 3.205 5.752 4.250) 7.836 2.721 ( -0.952 1.189 -4.329) 4.589 2.721 ( 0.952 1.189 4.329) 4.589 3.009 ( -1.546 -1.309 -3.342) 3.908 3.009 ( 1.546 -1.309 3.342) 3.908 3.195 ( -2.312 -0.770 -3.672) 4.407 3.195 ( 2.312 -0.770 3.672) 4.407 3.475 ( -0.152 0.229 -2.544) 2.559 3.475 ( 0.152 0.229 2.544) 2.559 3.799 ( 0.043 0.203 -7.472) 7.475 3.799 ( -0.043 0.203 7.472) 7.475 4.028 ( -1.801 -1.003 -1.992) 2.867 4.028 ( 1.801 -1.003 1.992) 2.867 4.212 ( -2.997 -3.836 -4.863) 6.881 4.212 ( 2.997 -3.836 4.863) 6.881 4.496 ( 0.380 2.988 -0.268) 3.024 4.496 ( -0.380 2.988 0.268) 3.024 4.950 ( -0.566 1.004 -0.576) 1.288 4.950 ( 0.566 1.004 0.576) 1.288 5.219 ( -11.553 -9.736 -11.275) 18.852 5.219 ( 11.553 -9.736 11.275) 18.852 5.948 ( -11.051 -8.965 -7.787) 16.222 5.948 ( 11.051 -8.965 7.787) 16.222 6.163 ( -4.230 1.301 -4.590) 6.377 6.163 ( 4.230 1.301 4.590) 6.377 6.566 ( 2.003 8.202 -5.676) 10.173 6.566 ( -2.003 8.202 5.676) 10.173 6.953 ( 1.773 -0.317 -1.601) 2.410 6.953 ( -1.773 -0.317 1.601) 2.410 7.134 ( 2.371 1.296 -1.743) 3.215 7.134 ( -2.371 1.296 1.743) 3.215 7.370 ( -2.100 0.181 -4.691) 5.143 7.370 ( 2.100 0.181 4.691) 5.143 7.658 ( 0.192 -0.787 -2.002) 2.160 7.658 ( -0.192 -0.787 2.002) 2.160 7.951 ( -4.207 -13.519 -3.356) 14.551 7.951 ( 4.207 -13.519 3.356) 14.551 8.091 ( -6.001 0.327 -0.274) 6.016 8.091 ( 6.001 0.327 0.274) 6.016 10.637 ( 0.758 24.251 -11.045) 26.659 10.637 ( -0.758 24.251 11.045) 26.659 12.070 ( -7.278 -1.897 -4.206) 8.617 12.070 ( 7.278 -1.897 4.206) 8.617 12.710 ( -1.760 2.135 -3.838) 4.732 12.710 ( 1.760 2.135 3.838) 4.732 13.391 ( -3.317 -7.855 -23.267) 24.780 13.391 ( 3.317 -7.855 23.267) 24.780 14.854 ( -8.961 -7.653 -11.100) 16.189 14.854 ( 8.961 -7.653 11.100) 16.189 15.629 ( -12.319 -0.649 -6.730) 14.052 15.629 ( 12.319 -0.649 6.730) 14.052 16.120 ( -2.286 -0.640 -1.071) 2.605 16.120 ( 2.286 -0.640 1.071) 2.605 16.580 ( 12.965 1.125 -7.680) 15.110 16.580 ( -12.965 1.125 7.680) 15.110 ======================= Grid point 203 (88/110) ======================= q-point: ( 0.10 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 4.879 3.257 -14.376) 15.527 0.644 ( 5.786 5.362 4.793) 9.230 0.662 ( 7.070 6.834 8.287) 12.860 1.093 ( 1.727 5.949 -7.279) 9.558 1.121 ( -2.221 8.072 -9.522) 12.679 1.595 ( -3.329 -4.043 -7.304) 8.988 1.793 ( -2.741 2.673 -3.631) 5.277 1.980 ( 0.677 -1.905 -4.474) 4.909 2.019 ( 7.318 3.088 21.598) 23.013 2.215 ( 1.419 3.291 -0.684) 3.648 2.297 ( 0.848 1.649 3.903) 4.321 2.473 ( 5.208 0.036 12.341) 13.395 2.657 ( -1.720 0.933 -4.808) 5.191 2.746 ( -1.721 0.242 1.666) 2.407 2.925 ( -3.335 3.720 -4.128) 6.481 3.034 ( -0.015 -2.915 0.412) 2.944 3.130 ( -1.445 -1.589 -3.630) 4.218 3.280 ( 2.634 0.934 4.776) 5.534 3.445 ( -1.410 0.197 -1.096) 1.797 3.489 ( -1.106 -0.517 3.266) 3.486 3.703 ( -2.719 0.031 -8.279) 8.714 3.794 ( -4.632 -0.488 -1.634) 4.936 3.949 ( -4.059 -1.810 -2.434) 5.067 4.048 ( -0.645 0.105 0.236) 0.695 4.123 ( -3.317 -1.809 -3.281) 5.004 4.294 ( 0.028 -2.692 5.072) 5.742 4.460 ( -3.033 5.045 2.277) 6.311 4.502 ( -1.830 0.668 -0.011) 1.948 4.632 ( -19.493 -3.011 -21.080) 28.869 4.879 ( -4.211 2.083 -4.005) 6.174 5.034 ( -0.798 3.166 -2.798) 4.300 5.443 ( 3.007 -11.109 9.868) 15.160 5.715 ( -3.147 -1.819 -3.586) 5.107 6.009 ( -4.923 0.918 -9.202) 10.477 6.093 ( -2.108 -4.290 2.440) 5.367 6.255 ( 2.108 1.227 1.086) 2.670 6.438 ( -3.919 6.440 2.122) 7.832 6.594 ( -0.924 5.571 -1.559) 5.858 6.961 ( 1.796 -3.196 1.284) 3.885 7.064 ( 3.363 -2.923 1.927) 4.854 7.149 ( 2.630 0.691 3.201) 4.200 7.209 ( 4.972 0.793 -0.815) 5.100 7.313 ( 0.223 0.587 -4.031) 4.079 7.456 ( 1.947 0.767 4.455) 4.922 7.676 ( 3.645 -1.447 -1.384) 4.158 7.688 ( 1.097 -1.342 1.250) 2.138 7.803 ( -5.559 -7.596 -3.314) 9.980 7.916 ( -5.613 -5.775 -0.777) 8.091 8.103 ( 5.702 -4.193 -1.786) 7.300 8.234 ( 6.774 -3.492 -0.630) 7.647 10.531 ( -3.493 19.783 -5.114) 20.729 10.677 ( -4.071 24.959 7.957) 26.511 11.920 ( -6.244 -1.523 0.261) 6.432 12.212 ( 2.905 -0.757 4.312) 5.254 12.630 ( -3.355 -4.912 -3.244) 6.776 12.752 ( 1.559 3.955 1.866) 4.643 13.209 ( -2.606 -2.819 -12.435) 13.015 13.706 ( 6.770 -11.966 26.400) 29.766 14.603 ( -6.978 -3.569 -9.737) 12.499 15.086 ( 6.267 -3.561 10.946) 13.106 15.244 ( -17.534 0.809 -15.086) 23.145 15.642 ( -10.063 5.681 -2.972) 11.931 16.073 ( -2.106 -0.291 -2.742) 3.469 16.179 ( 2.161 -2.088 -0.186) 3.011 16.580 ( 6.528 0.918 13.525) 15.046 16.712 ( 5.419 -7.458 -8.645) 12.638 ======================= Grid point 204 (89/110) ======================= q-point: ( 0.20 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 7.614 6.695 -7.725) 12.746 0.720 ( -0.260 12.131 -17.848) 21.582 0.864 ( 8.987 10.511 -3.138) 14.181 0.965 ( 9.496 -3.318 14.118) 17.336 1.306 ( 2.110 3.756 3.517) 5.562 1.542 ( 3.421 -1.874 -1.228) 4.089 1.648 ( -3.262 1.386 -8.324) 9.047 1.964 ( -0.138 9.434 -1.652) 9.578 2.197 ( 2.722 -2.138 -0.108) 3.463 2.326 ( -0.011 0.618 2.516) 2.591 2.364 ( 3.283 -2.797 13.450) 14.125 2.587 ( -3.343 2.434 -4.248) 5.928 2.589 ( -0.147 -2.613 4.754) 5.426 2.690 ( -1.785 0.599 0.386) 1.921 2.857 ( -2.532 3.604 0.393) 4.421 3.019 ( -0.586 -5.172 -4.107) 6.630 3.082 ( 0.409 2.526 -4.157) 4.882 3.359 ( 0.794 2.700 4.791) 5.557 3.408 ( -1.874 -0.669 0.950) 2.205 3.495 ( -0.082 -0.315 2.094) 2.120 3.581 ( -2.889 1.479 -8.844) 9.421 3.598 ( -3.842 2.495 -12.414) 13.232 3.854 ( -4.037 -1.086 -1.183) 4.345 3.987 ( -3.271 -0.279 -0.605) 3.338 4.066 ( -0.316 4.349 -1.717) 4.686 4.218 ( -3.791 -0.138 -3.722) 5.315 4.344 ( -3.788 3.153 -1.069) 5.043 4.428 ( -3.085 5.653 4.183) 7.680 4.515 ( -0.427 0.161 1.227) 1.309 4.751 ( -5.167 1.657 -2.943) 6.173 4.999 ( -0.378 2.731 -3.543) 4.490 5.524 ( -0.562 -13.876 5.929) 15.100 5.703 ( -3.169 0.364 -4.068) 5.169 5.847 ( -1.831 2.360 -1.144) 3.199 6.040 ( -1.545 1.039 0.393) 1.903 6.245 ( -2.464 0.757 -1.864) 3.181 6.433 ( -0.883 2.273 3.516) 4.278 6.592 ( 1.524 5.773 -0.683) 6.009 6.974 ( -0.897 -6.828 0.130) 6.888 7.122 ( 1.998 -1.896 2.184) 3.515 7.204 ( 1.144 1.071 -1.440) 2.129 7.269 ( 1.240 -3.258 0.256) 3.495 7.327 ( 2.392 0.250 0.317) 2.426 7.457 ( -4.163 -1.388 0.776) 4.456 7.669 ( -2.722 -3.184 1.894) 4.597 7.715 ( -2.207 -0.223 -1.275) 2.559 7.798 ( 6.256 -1.004 2.735) 6.901 7.882 ( 4.445 -2.661 -2.874) 5.925 8.179 ( 4.379 -4.385 -3.567) 7.150 8.323 ( 2.874 -2.251 -0.132) 3.653 10.445 ( -2.369 14.921 -2.156) 15.261 10.623 ( -5.838 21.688 3.955) 22.805 11.840 ( -3.557 -1.572 2.689) 4.728 12.268 ( 2.092 1.036 1.386) 2.715 12.493 ( -7.811 -14.892 -5.159) 17.589 12.828 ( 3.336 5.742 2.532) 7.107 13.072 ( -3.514 8.570 -4.562) 10.325 13.928 ( 0.241 -17.101 4.979) 17.812 14.530 ( 1.935 3.883 6.739) 8.014 14.837 ( -9.440 2.248 -12.819) 16.078 15.264 ( 1.715 7.456 10.919) 13.332 15.469 ( -4.132 6.364 -0.382) 7.597 15.984 ( -2.857 -0.852 -5.906) 6.616 16.189 ( 0.186 -1.585 -1.219) 2.008 16.627 ( -3.766 -9.787 -8.466) 13.477 16.834 ( 4.458 -10.080 8.254) 13.770 ======================= Grid point 205 (90/110) ======================= q-point: ( 0.30 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 8.207 7.594 0.068) 11.181 0.779 ( 12.351 8.232 -2.382) 15.033 1.039 ( 6.481 7.486 5.009) 11.097 1.165 ( 3.590 -2.827 1.351) 4.765 1.370 ( 3.277 3.693 1.783) 5.250 1.480 ( -1.244 -1.545 -3.102) 3.682 1.721 ( 4.669 0.728 4.879) 6.792 1.953 ( 0.674 9.979 -1.627) 10.133 2.214 ( -0.469 -2.543 -2.826) 3.831 2.309 ( -1.495 -0.935 -1.619) 2.394 2.407 ( -0.120 -2.397 0.099) 2.402 2.460 ( -4.127 4.120 -5.345) 7.911 2.639 ( -3.138 -0.529 -3.981) 5.096 2.695 ( 2.213 0.151 10.056) 10.298 2.824 ( -0.176 0.120 -1.672) 1.686 2.977 ( -1.327 0.836 -3.055) 3.434 3.069 ( 0.842 0.362 -0.662) 1.131 3.366 ( -1.015 -0.496 0.123) 1.136 3.419 ( 0.099 1.906 5.229) 5.566 3.424 ( -2.105 0.805 -8.444) 8.739 3.504 ( -0.752 2.190 -2.396) 3.332 3.633 ( 5.150 -0.199 5.467) 7.513 3.801 ( -1.081 0.602 2.122) 2.456 3.955 ( -1.554 2.332 0.766) 2.905 4.058 ( 0.698 3.432 -0.645) 3.561 4.158 ( -2.278 0.412 1.024) 2.532 4.254 ( -4.276 5.619 -0.988) 7.130 4.380 ( -4.255 1.547 -2.528) 5.186 4.475 ( -2.759 3.136 -0.850) 4.263 4.723 ( 0.366 1.108 8.529) 8.608 4.966 ( -0.238 1.433 -3.837) 4.103 5.360 ( -11.088 -4.431 -12.849) 17.541 5.675 ( 1.159 -5.688 5.206) 7.797 5.887 ( 1.606 0.947 2.277) 2.943 6.082 ( 2.086 0.203 5.461) 5.849 6.166 ( -2.806 -0.632 -1.590) 3.287 6.424 ( -2.430 1.106 1.665) 3.146 6.608 ( 1.244 6.425 -3.916) 7.627 6.957 ( -0.757 -6.369 1.508) 6.589 7.172 ( 1.239 -3.204 0.187) 3.441 7.189 ( 0.289 2.036 -3.739) 4.267 7.260 ( -2.226 -4.516 0.427) 5.053 7.353 ( -3.511 -0.384 1.108) 3.701 7.389 ( 1.221 -2.682 -0.231) 2.956 7.632 ( -3.460 -0.593 4.059) 5.367 7.682 ( 0.526 -0.031 -2.422) 2.479 7.939 ( 4.817 -0.658 4.019) 6.308 7.977 ( 6.334 -1.947 -2.025) 6.929 8.219 ( 3.174 -2.773 -3.866) 5.719 8.346 ( -0.493 -0.507 0.769) 1.045 10.406 ( -0.721 12.045 -0.497) 12.077 10.541 ( -4.397 17.117 0.999) 17.701 11.821 ( -1.427 -1.998 4.215) 4.878 12.237 ( -5.251 -4.268 -11.555) 13.391 12.398 ( 1.692 -10.200 8.803) 13.579 12.859 ( 0.239 5.037 -3.615) 6.205 13.048 ( 0.498 14.141 4.955) 14.992 13.827 ( -4.548 -8.126 -13.891) 16.723 14.616 ( 0.348 -2.288 3.286) 4.019 14.800 ( 4.612 2.642 11.363) 12.544 15.249 ( -4.886 11.707 -1.260) 12.749 15.468 ( -4.535 2.060 5.995) 7.794 15.953 ( 5.506 -4.082 -0.556) 6.877 16.182 ( 0.283 -1.222 -0.953) 1.575 16.465 ( -5.980 -6.616 -6.281) 10.908 16.872 ( -2.702 -13.429 -1.554) 13.786 ======================= Grid point 206 (91/110) ======================= q-point: ( 0.40 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( 8.669 5.162 8.227) 13.019 1.003 ( 10.335 3.642 -0.935) 10.997 1.148 ( 0.697 1.289 -2.475) 2.876 1.236 ( 4.493 4.129 10.404) 12.061 1.305 ( -3.330 -0.787 -5.502) 6.479 1.580 ( 3.028 -0.731 1.914) 3.656 1.784 ( -0.213 2.939 3.449) 4.536 1.945 ( -0.825 4.431 -2.760) 5.285 2.159 ( 0.575 -1.497 -4.048) 4.354 2.283 ( -0.250 -0.198 -2.099) 2.123 2.359 ( -2.375 2.895 -3.599) 5.193 2.413 ( -2.348 2.895 0.714) 3.795 2.569 ( 1.836 0.473 -2.472) 3.115 2.757 ( -2.828 0.324 4.497) 5.322 2.817 ( 1.927 0.207 -3.270) 3.801 2.905 ( -3.605 2.781 -1.099) 4.684 3.122 ( 2.662 -0.359 4.293) 5.064 3.319 ( -2.338 0.513 -7.329) 7.710 3.358 ( 0.337 -1.281 0.292) 1.357 3.422 ( -1.458 0.162 -0.487) 1.546 3.565 ( 3.943 2.528 6.907) 8.345 3.732 ( 1.677 -3.467 2.398) 4.537 3.856 ( 1.870 3.029 3.533) 5.015 3.920 ( -0.770 3.553 1.086) 3.794 4.039 ( -2.309 4.325 -3.369) 5.948 4.119 ( -3.356 4.647 -2.857) 6.405 4.219 ( -0.231 0.794 4.923) 4.992 4.258 ( -2.286 -2.612 -4.456) 5.648 4.476 ( 0.936 6.958 6.994) 9.910 4.834 ( 2.507 -0.088 9.606) 9.928 4.887 ( -4.589 2.332 -10.655) 11.834 5.072 ( -6.822 -2.533 -9.269) 11.784 5.739 ( 2.532 -3.575 2.154) 4.882 5.900 ( -2.164 -1.013 -0.723) 2.497 6.099 ( -0.088 -3.068 4.510) 5.455 6.212 ( 2.417 -3.021 1.820) 4.276 6.386 ( -2.080 2.555 3.863) 5.077 6.562 ( -1.058 6.384 -7.846) 10.170 6.983 ( 1.198 -4.423 3.945) 6.046 7.137 ( -1.485 1.651 -5.088) 5.551 7.171 ( -0.796 -6.176 -1.527) 6.411 7.208 ( -2.828 -3.905 0.042) 4.822 7.338 ( 0.828 -0.109 2.692) 2.818 7.410 ( 0.387 -1.410 -0.955) 1.746 7.622 ( -0.811 -0.317 3.589) 3.693 7.672 ( -0.090 0.022 -1.981) 1.983 8.038 ( 3.313 -1.318 1.432) 3.842 8.062 ( 2.970 -1.434 0.089) 3.299 8.247 ( 2.978 -0.924 -3.394) 4.609 8.324 ( -2.544 0.506 1.586) 3.040 10.405 ( 0.572 11.162 0.410) 11.184 10.476 ( -2.752 13.655 -0.329) 13.933 11.849 ( 0.244 -2.411 5.582) 6.085 12.049 ( -4.512 -4.580 -9.585) 11.541 12.546 ( 4.260 -8.197 10.568) 14.036 12.806 ( -1.543 1.506 -6.337) 6.693 13.142 ( 3.132 13.406 10.360) 17.230 13.592 ( -5.836 1.128 -18.751) 19.671 14.705 ( 4.070 -4.981 8.988) 11.052 14.982 ( 4.183 1.895 7.641) 8.915 15.118 ( -5.619 6.141 -4.176) 9.313 15.334 ( -7.639 6.352 -4.009) 10.714 16.151 ( 5.869 -5.972 5.398) 9.962 16.219 ( 6.127 -3.011 6.308) 9.295 16.322 ( -4.862 -4.026 -3.164) 7.061 16.735 ( -6.633 -12.693 -9.126) 16.983 ======================= Grid point 207 (92/110) ======================= q-point: (-0.50 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -3.969 5.611 -7.700) 10.322 1.026 ( 3.969 5.611 7.700) 10.322 1.189 ( -5.352 -2.653 -0.700) 6.015 1.189 ( 5.352 -2.653 0.700) 6.015 1.470 ( -6.755 1.827 -13.327) 15.053 1.470 ( 6.755 1.827 13.327) 15.053 1.865 ( -3.076 2.143 -6.152) 7.204 1.865 ( 3.076 2.143 6.152) 7.204 2.213 ( -3.950 0.605 -2.763) 4.859 2.213 ( 3.950 0.605 2.763) 4.859 2.348 ( -2.312 3.241 0.062) 3.981 2.348 ( 2.312 3.241 -0.062) 3.981 2.667 ( -5.845 1.033 -2.196) 6.329 2.667 ( 5.845 1.033 2.196) 6.329 2.847 ( 2.656 1.308 -1.848) 3.490 2.847 ( -2.656 1.308 1.848) 3.490 3.218 ( -2.582 0.455 -6.474) 6.984 3.218 ( 2.582 0.455 6.474) 6.984 3.384 ( -1.643 -0.918 -0.857) 2.068 3.384 ( 1.643 -0.918 0.857) 2.068 3.699 ( -3.426 0.212 -6.086) 6.988 3.699 ( 3.426 0.212 6.086) 6.988 3.915 ( -3.157 0.726 -4.622) 5.644 3.915 ( 3.157 0.726 4.622) 5.644 4.014 ( -3.223 6.535 -3.594) 8.125 4.014 ( 3.224 6.535 3.594) 8.125 4.238 ( 0.970 -1.099 -1.920) 2.416 4.238 ( -0.970 -1.099 1.920) 2.416 4.643 ( -6.881 4.302 -14.456) 16.578 4.643 ( 6.881 4.302 14.456) 16.578 4.948 ( -2.355 -1.199 -6.886) 7.376 4.948 ( 2.355 -1.199 6.886) 7.376 5.817 ( -3.645 -1.618 -1.833) 4.389 5.817 ( 3.645 -1.618 1.833) 4.389 6.178 ( -2.242 -5.456 -6.293) 8.625 6.178 ( 2.242 -5.456 6.293) 8.625 6.457 ( -1.911 5.621 -9.905) 11.548 6.457 ( 1.911 5.621 9.905) 11.548 7.055 ( -2.265 -2.290 -5.145) 6.070 7.055 ( 2.265 -2.290 5.145) 6.070 7.168 ( 0.188 -4.006 -0.919) 4.114 7.168 ( -0.188 -4.006 0.919) 4.114 7.385 ( -1.330 -0.585 -2.394) 2.800 7.385 ( 1.330 -0.585 2.394) 2.800 7.647 ( 0.865 -0.193 -4.691) 4.774 7.647 ( -0.865 -0.193 4.691) 4.774 8.084 ( 1.194 -1.577 -2.937) 3.541 8.084 ( -1.194 -1.577 2.937) 3.541 8.283 ( 3.087 0.455 -2.520) 4.011 8.283 ( -3.087 0.455 2.520) 4.011 10.431 ( -1.543 11.737 -0.758) 11.863 10.431 ( 1.543 11.737 0.758) 11.863 11.921 ( -2.110 -3.093 -7.244) 8.154 11.921 ( 2.110 -3.093 7.244) 8.154 12.699 ( -3.198 -4.700 -9.052) 10.689 12.699 ( 3.198 -4.700 9.052) 10.689 13.336 ( -5.587 8.725 -16.684) 19.639 13.336 ( 5.587 8.725 16.684) 19.639 14.890 ( -6.305 -3.994 -10.707) 13.052 14.890 ( 6.306 -3.994 10.707) 13.052 15.170 ( -4.147 8.391 -7.870) 12.229 15.170 ( 4.147 8.391 7.870) 12.229 16.224 ( -3.158 -2.815 -1.295) 4.425 16.224 ( 3.158 -2.815 1.295) 4.425 16.493 ( -9.128 -10.129 -13.179) 18.963 16.493 ( 9.128 -10.129 13.179) 18.963 ======================= Grid point 213 (93/110) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 4.301 8.571 -11.740) 15.159 0.618 ( -4.301 8.571 11.740) 15.159 1.016 ( -3.365 11.448 -11.321) 16.449 1.016 ( 3.365 11.448 11.321) 16.449 1.624 ( -4.794 0.503 -6.222) 7.871 1.624 ( 4.794 0.503 6.222) 7.871 1.778 ( -4.799 5.291 -13.056) 14.882 1.778 ( 4.799 5.291 13.056) 14.882 2.097 ( -3.708 -2.497 -10.242) 11.175 2.097 ( 3.708 -2.497 10.242) 11.175 2.424 ( -1.803 4.152 -3.652) 5.816 2.424 ( 1.803 4.152 3.652) 5.816 2.723 ( -0.010 -1.273 -4.240) 4.427 2.723 ( 0.010 -1.273 4.240) 4.427 2.959 ( 0.884 -3.022 -4.815) 5.753 2.959 ( -0.884 -3.022 4.815) 5.753 3.236 ( -0.875 4.717 -4.036) 6.269 3.236 ( 0.875 4.717 4.036) 6.269 3.486 ( -0.081 0.568 -1.682) 1.777 3.486 ( 0.081 0.568 1.682) 1.777 3.783 ( -1.411 -1.925 -2.774) 3.660 3.783 ( 1.411 -1.925 2.774) 3.660 3.980 ( -2.860 -3.464 -6.558) 7.950 3.980 ( 2.860 -3.464 6.558) 7.950 4.189 ( -0.470 3.177 -2.405) 4.013 4.189 ( 0.470 3.177 2.405) 4.013 4.586 ( 0.049 5.005 -2.800) 5.736 4.586 ( -0.049 5.005 2.800) 5.736 4.872 ( -6.308 -6.623 -11.499) 14.693 4.872 ( 6.308 -6.623 11.499) 14.693 5.138 ( -6.996 0.911 -8.328) 10.914 5.138 ( 6.996 0.911 8.328) 10.914 5.819 ( -6.271 -4.337 -9.519) 12.196 5.819 ( 6.271 -4.337 9.519) 12.196 6.199 ( -3.803 2.049 -5.355) 6.881 6.199 ( 3.803 2.049 5.355) 6.881 6.684 ( -0.879 3.548 -5.992) 7.019 6.684 ( 0.879 3.548 5.992) 7.019 6.951 ( 2.475 0.232 -2.031) 3.209 6.951 ( -2.475 0.232 2.031) 3.209 7.157 ( 0.059 0.958 -1.615) 1.879 7.157 ( -0.059 0.958 1.615) 1.879 7.353 ( -1.779 -2.065 -2.876) 3.963 7.353 ( 1.779 -2.065 2.876) 3.963 7.609 ( -2.188 -6.147 -2.934) 7.154 7.609 ( 2.188 -6.147 2.934) 7.154 7.694 ( -0.172 -6.840 -0.623) 6.871 7.694 ( 0.172 -6.840 0.623) 6.871 8.150 ( -2.177 3.958 0.017) 4.517 8.150 ( 2.177 3.958 -0.017) 4.517 11.074 ( 0.391 16.185 -13.792) 21.268 11.074 ( -0.391 16.185 13.792) 21.268 12.004 ( -6.335 -4.632 -3.200) 8.475 12.004 ( 6.335 -4.632 3.200) 8.475 12.689 ( -6.193 -5.060 -10.739) 13.390 12.689 ( 6.193 -5.060 10.739) 13.390 13.354 ( -2.887 6.801 -12.016) 14.106 13.354 ( 2.887 6.801 12.016) 14.106 14.726 ( -6.859 -4.575 -12.858) 15.275 14.726 ( 6.859 -4.575 12.858) 15.275 15.540 ( -8.651 -7.754 -8.694) 14.510 15.540 ( 8.651 -7.754 8.694) 14.510 16.096 ( -1.168 -1.419 -0.832) 2.017 16.096 ( 1.168 -1.419 0.832) 2.017 16.597 ( 0.752 0.279 -7.506) 7.549 16.597 ( -0.752 0.279 7.506) 7.549 ======================= Grid point 215 (94/110) ======================= q-point: ( 0.10 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 3.378 4.950 -9.197) 10.977 0.716 ( 4.203 7.017 8.655) 11.909 0.992 ( 5.891 16.184 -1.059) 17.255 1.222 ( 5.674 6.692 11.594) 14.539 1.345 ( -8.628 11.702 -16.257) 21.810 1.552 ( -2.742 0.160 -6.252) 6.829 1.830 ( 1.362 0.341 0.478) 1.484 1.910 ( 1.087 -2.499 -4.966) 5.664 2.100 ( 7.127 3.122 14.846) 16.761 2.216 ( 2.270 -2.462 4.391) 5.522 2.353 ( -2.887 3.674 -1.743) 4.987 2.498 ( 1.904 1.727 4.330) 5.035 2.674 ( -0.799 0.013 -4.528) 4.598 2.746 ( -0.712 -0.265 1.732) 1.891 2.920 ( -0.497 -4.466 -3.956) 5.987 2.990 ( -0.474 -0.722 2.549) 2.692 3.189 ( -1.183 5.365 -2.426) 6.005 3.298 ( 1.187 1.968 5.732) 6.175 3.457 ( -1.876 0.653 -0.322) 2.012 3.492 ( -0.510 0.704 1.463) 1.702 3.694 ( -3.063 -1.051 -5.243) 6.163 3.756 ( -2.268 -2.023 -9.006) 9.505 3.910 ( -2.033 -2.254 1.678) 3.468 4.053 ( -0.430 1.761 3.582) 4.014 4.177 ( 0.596 5.796 -1.427) 5.999 4.234 ( 0.788 -1.804 4.500) 4.912 4.523 ( -6.803 1.696 -6.133) 9.316 4.558 ( -5.592 1.506 -3.479) 6.756 4.638 ( -1.284 6.036 -5.101) 8.006 4.948 ( -6.920 1.600 -4.560) 8.440 5.013 ( 2.591 -4.786 4.646) 7.156 5.260 ( -0.968 -3.814 3.874) 5.522 5.686 ( -0.285 -0.915 -1.921) 2.147 5.972 ( 1.631 -4.513 3.958) 6.221 6.061 ( -4.610 1.724 -5.119) 7.101 6.286 ( 1.126 1.563 1.622) 2.518 6.571 ( -4.739 4.563 -2.196) 6.935 6.695 ( -1.628 4.322 1.659) 4.908 6.913 ( -3.278 -1.613 1.685) 4.024 7.003 ( 2.611 -2.180 2.131) 4.014 7.167 ( 1.863 1.295 0.307) 2.289 7.203 ( 1.504 -0.555 0.231) 1.619 7.328 ( 1.506 -0.215 -2.989) 3.354 7.434 ( 1.932 -2.852 3.493) 4.906 7.536 ( -0.812 -10.146 -4.659) 11.194 7.657 ( 3.614 -2.189 -1.440) 4.464 7.699 ( -0.288 -4.233 1.345) 4.451 7.733 ( 2.725 -6.345 1.166) 7.003 8.127 ( 0.758 3.937 -0.436) 4.033 8.228 ( 4.864 1.945 -0.226) 5.244 10.925 ( -5.097 16.168 -8.208) 18.835 11.124 ( -5.406 16.612 10.775) 20.525 11.877 ( -5.516 -2.618 0.462) 6.123 12.131 ( 1.605 -8.590 5.224) 10.181 12.488 ( -5.450 -4.947 -9.699) 12.175 12.866 ( 4.734 3.745 7.945) 9.979 13.250 ( 1.292 5.803 -9.032) 10.813 13.501 ( 3.667 -3.060 5.565) 7.333 14.564 ( -2.110 -0.697 -3.084) 3.801 14.964 ( 5.500 -4.750 9.979) 12.345 15.273 ( -9.128 -1.839 -7.052) 11.680 15.680 ( 0.257 -3.037 4.395) 5.349 16.066 ( -1.305 -0.323 -2.642) 2.965 16.126 ( 1.275 -2.725 0.184) 3.014 16.483 ( -4.945 -7.057 -4.331) 9.645 16.640 ( -0.491 -0.929 1.700) 1.998 ======================= Grid point 216 (95/110) ======================= q-point: ( 0.20 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 7.666 3.479 -10.303) 13.305 0.936 ( 8.290 3.930 11.864) 14.997 1.042 ( -0.733 15.349 -13.613) 20.529 1.166 ( 3.272 14.482 4.539) 15.526 1.378 ( 1.252 3.300 3.186) 4.755 1.555 ( 4.108 2.827 2.138) 5.426 1.695 ( -2.603 3.318 -9.020) 9.957 2.059 ( 7.100 -0.697 6.802) 9.857 2.207 ( -1.400 -0.644 -5.737) 5.940 2.289 ( 0.915 0.201 1.926) 2.142 2.331 ( -0.185 0.807 5.921) 5.979 2.564 ( 1.725 0.359 6.293) 6.535 2.637 ( -0.492 0.840 -2.062) 2.280 2.707 ( -3.233 1.213 -1.936) 3.959 2.903 ( 1.473 -4.881 -3.283) 6.064 2.940 ( -4.224 1.851 -0.274) 4.620 3.149 ( -1.382 3.216 -2.792) 4.477 3.361 ( -0.281 -1.480 6.203) 6.383 3.417 ( -2.209 1.123 0.796) 2.603 3.508 ( 0.851 0.805 -0.232) 1.194 3.609 ( 0.332 1.158 -6.265) 6.380 3.633 ( -2.730 2.426 -6.286) 7.270 3.879 ( -2.577 2.239 1.109) 3.590 4.039 ( -1.477 5.062 1.041) 5.374 4.148 ( -1.737 2.981 -4.350) 5.551 4.229 ( -2.083 1.667 -0.050) 2.668 4.382 ( -0.845 1.389 -0.084) 1.628 4.487 ( -2.615 1.962 -1.075) 3.441 4.619 ( -1.664 7.097 1.232) 7.392 4.801 ( -6.019 2.475 -0.370) 6.518 5.043 ( -0.845 0.813 -1.381) 1.812 5.240 ( -1.340 -11.268 3.212) 11.794 5.721 ( -1.049 1.296 -0.036) 1.667 5.870 ( -2.743 0.091 -4.727) 5.465 6.043 ( -0.441 -0.697 2.180) 2.331 6.260 ( -3.737 0.745 -0.239) 3.818 6.501 ( -3.283 2.798 2.047) 4.774 6.707 ( 2.146 4.623 0.104) 5.098 6.861 ( -2.948 -3.686 0.686) 4.769 7.064 ( 1.443 -2.873 2.485) 4.064 7.200 ( 0.002 -1.968 -0.984) 2.201 7.212 ( 0.542 0.443 1.607) 1.753 7.327 ( 0.076 -2.787 -3.144) 4.202 7.407 ( -2.305 -2.185 -2.279) 3.909 7.553 ( 0.152 -7.206 4.090) 8.287 7.677 ( -0.556 -3.781 -2.907) 4.802 7.769 ( 7.989 -1.839 -0.215) 8.201 7.816 ( 4.422 -2.826 1.280) 5.402 8.161 ( 3.433 2.419 -2.052) 4.674 8.314 ( 3.475 1.132 0.839) 3.750 10.783 ( -4.361 15.602 -3.796) 16.639 11.050 ( -8.902 17.765 6.344) 20.859 11.800 ( -3.467 -2.062 1.558) 4.324 12.110 ( -5.458 -15.748 0.737) 16.683 12.364 ( -0.992 2.488 -5.330) 5.965 13.005 ( 4.273 10.845 2.349) 11.891 13.247 ( 2.439 7.220 -1.897) 7.853 13.560 ( 2.172 -15.976 -1.455) 16.189 14.614 ( 2.821 4.033 10.294) 11.410 14.876 ( -7.106 1.863 -11.372) 13.538 15.331 ( 5.626 -0.803 15.366) 16.383 15.646 ( -5.043 7.106 0.648) 8.738 15.958 ( -5.481 -1.248 -8.047) 9.816 16.142 ( 0.371 -2.761 -0.134) 2.789 16.374 ( -2.908 -12.780 -3.878) 13.669 16.612 ( -2.813 -9.945 -0.353) 10.342 ======================= Grid point 217 (96/110) ======================= q-point: ( 0.30 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 10.415 1.578 -5.857) 12.053 0.988 ( 5.422 13.905 -6.322) 16.209 1.150 ( 5.177 1.320 3.968) 6.655 1.288 ( 2.273 12.641 9.232) 15.818 1.460 ( 4.679 3.601 6.608) 8.862 1.475 ( -4.737 2.997 -9.136) 10.719 1.775 ( 5.343 4.014 5.307) 8.533 2.116 ( -1.337 1.074 -8.034) 8.215 2.197 ( -1.423 5.211 -1.104) 5.514 2.260 ( 3.631 -1.953 -0.152) 4.126 2.379 ( 1.225 -0.594 4.626) 4.822 2.548 ( -5.146 2.568 -3.672) 6.824 2.629 ( -1.216 -0.194 -3.057) 3.296 2.694 ( 1.166 -0.204 9.053) 9.130 2.836 ( -1.396 0.110 -4.083) 4.317 2.977 ( 3.671 0.014 1.574) 3.994 3.080 ( -2.894 0.543 -3.105) 4.279 3.358 ( -1.575 -0.799 0.181) 1.775 3.387 ( -1.833 -1.843 -2.292) 3.466 3.485 ( -1.296 2.299 -0.267) 2.653 3.568 ( -0.757 3.127 0.722) 3.297 3.638 ( 2.748 1.328 -1.628) 3.459 3.880 ( 1.502 6.440 3.925) 7.690 4.031 ( -1.181 3.307 0.049) 3.512 4.105 ( 0.396 -0.028 -0.273) 0.482 4.201 ( -2.288 5.222 2.495) 6.223 4.334 ( -3.426 2.664 -2.410) 4.964 4.406 ( -3.268 1.683 -7.022) 7.926 4.606 ( -1.091 7.783 2.981) 8.405 4.757 ( -1.440 2.125 8.205) 8.597 5.003 ( -0.821 2.070 -2.674) 3.480 5.208 ( -5.173 -9.147 -3.217) 10.990 5.615 ( -2.350 0.284 -1.974) 3.082 5.883 ( 0.713 -1.570 0.540) 1.807 6.073 ( 1.807 -0.853 3.261) 3.825 6.167 ( -4.947 0.697 -0.681) 5.042 6.455 ( -3.975 1.165 3.852) 5.656 6.745 ( 2.275 5.887 -4.806) 7.932 6.823 ( -1.708 -6.041 2.871) 6.903 7.075 ( -1.243 -5.259 -1.421) 5.588 7.174 ( -1.292 -2.212 -0.701) 2.655 7.231 ( 0.259 1.191 -0.423) 1.290 7.291 ( -1.346 -4.607 0.225) 4.805 7.374 ( 0.399 0.396 -1.505) 1.607 7.570 ( -1.584 -5.049 4.395) 6.879 7.653 ( 0.677 -2.982 -3.305) 4.502 7.908 ( 4.191 -3.178 0.843) 5.326 7.915 ( 6.340 -2.710 0.621) 6.923 8.216 ( 4.264 2.591 -2.656) 5.653 8.365 ( 0.806 2.089 1.615) 2.761 10.705 ( -1.936 14.861 -1.045) 15.023 10.916 ( -7.920 17.467 1.904) 19.273 11.769 ( -1.547 -2.875 2.578) 4.160 11.997 ( -5.207 -14.240 -1.413) 15.228 12.354 ( 1.757 1.511 0.158) 2.323 12.992 ( -1.947 6.427 -11.326) 13.167 13.306 ( 2.539 9.439 4.455) 10.742 13.631 ( 4.201 -7.672 3.434) 9.397 14.625 ( -3.835 2.645 -4.204) 6.275 14.859 ( 5.413 3.361 10.651) 12.411 15.489 ( -7.295 6.366 -3.547) 10.312 15.525 ( -2.820 6.621 10.870) 13.037 15.828 ( 1.748 -8.049 -5.218) 9.751 16.144 ( 0.227 -2.364 -0.121) 2.378 16.294 ( -3.130 -8.823 -2.830) 9.780 16.529 ( -4.030 -17.785 -4.244) 18.724 ======================= Grid point 218 (97/110) ======================= q-point: ( 0.40 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 11.242 0.409 -0.774) 11.276 1.096 ( 6.463 8.413 1.403) 10.702 1.214 ( 0.108 3.367 -1.286) 3.606 1.317 ( -4.556 2.956 -6.668) 8.599 1.382 ( 1.048 7.610 9.026) 11.852 1.587 ( 1.789 1.288 0.321) 2.227 1.865 ( 0.588 5.460 6.630) 8.609 2.045 ( -0.311 4.314 -7.561) 8.711 2.154 ( 2.161 1.459 -0.565) 2.668 2.318 ( 0.901 4.327 -2.201) 4.937 2.426 ( -2.521 2.358 -1.902) 3.941 2.469 ( -0.433 2.735 4.079) 4.930 2.577 ( 1.315 -0.042 -1.797) 2.227 2.761 ( -2.287 0.113 6.153) 6.565 2.804 ( 1.824 -1.428 -3.292) 4.026 2.956 ( -4.290 2.128 -3.445) 5.899 3.106 ( 4.565 -1.285 3.208) 5.726 3.310 ( -2.044 -1.730 -5.160) 5.813 3.351 ( 0.183 0.400 0.315) 0.541 3.435 ( -2.871 1.270 -0.759) 3.230 3.625 ( 1.785 1.385 6.820) 7.184 3.671 ( 2.242 -1.322 -0.316) 2.622 3.935 ( 0.308 3.672 -0.302) 3.697 3.994 ( -1.357 1.962 -1.570) 2.856 4.118 ( 0.242 0.693 -1.673) 1.827 4.168 ( -3.219 5.682 2.068) 6.850 4.272 ( 0.378 4.793 -0.802) 4.875 4.318 ( -1.759 5.278 -0.802) 5.621 4.622 ( 0.258 7.482 5.137) 9.079 4.839 ( 1.523 0.418 8.715) 8.857 4.945 ( -4.037 3.002 -8.449) 9.833 5.021 ( -4.989 -1.731 -6.136) 8.096 5.649 ( 3.210 -4.157 4.217) 6.735 5.860 ( -2.288 -3.021 -2.698) 4.652 6.077 ( -2.628 0.621 2.196) 3.481 6.132 ( 0.384 -3.527 -1.263) 3.766 6.446 ( -0.814 2.285 8.633) 8.968 6.683 ( -1.819 4.677 -9.665) 10.891 6.859 ( 1.282 -7.072 4.790) 8.637 7.008 ( -2.581 -7.873 -4.232) 9.304 7.150 ( -0.782 -0.394 0.250) 0.911 7.199 ( -1.526 1.712 -2.798) 3.618 7.312 ( 1.428 -1.660 2.827) 3.576 7.378 ( 0.219 -1.175 -0.679) 1.375 7.581 ( -0.415 -3.735 3.648) 5.237 7.638 ( 0.133 -3.215 -2.940) 4.358 7.982 ( 2.793 -3.904 0.693) 4.849 8.004 ( 2.655 -3.659 0.028) 4.521 8.279 ( 4.217 3.800 -2.069) 6.042 8.370 ( -1.556 3.566 1.783) 4.280 10.688 ( 0.366 14.441 0.275) 14.448 10.796 ( -5.087 15.861 -0.274) 16.659 11.781 ( 0.152 -3.949 3.711) 5.421 11.901 ( -3.299 -8.992 -2.578) 9.919 12.430 ( 3.592 -3.339 6.296) 7.981 12.804 ( -5.255 -2.561 -15.399) 16.472 13.420 ( 3.868 12.848 8.996) 16.155 13.685 ( -0.219 8.923 -3.582) 9.618 14.619 ( 3.418 -3.199 6.521) 8.027 15.008 ( 0.688 1.578 -0.020) 1.722 15.275 ( -5.802 7.350 -1.029) 9.421 15.478 ( -5.515 6.595 -1.263) 8.689 15.956 ( 7.159 -11.783 6.700) 15.329 16.161 ( 1.473 -2.963 1.262) 3.541 16.209 ( -3.626 -6.628 -2.097) 7.840 16.396 ( -4.794 -18.027 -7.533) 20.117 ======================= Grid point 219 (98/110) ======================= q-point: (-0.50 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -8.495 0.823 -2.203) 8.814 1.102 ( 8.495 0.823 2.203) 8.814 1.216 ( -3.004 6.421 -4.247) 8.264 1.216 ( 3.004 6.421 4.247) 8.264 1.505 ( -4.233 1.432 -7.868) 9.048 1.505 ( 4.233 1.432 7.868) 9.048 1.959 ( -1.953 6.481 -8.389) 10.779 1.959 ( 1.953 6.481 8.389) 10.779 2.252 ( -3.891 3.477 -5.175) 7.349 2.252 ( 3.891 3.477 5.175) 7.349 2.419 ( -0.996 3.065 -1.522) 3.564 2.419 ( 0.996 3.065 1.522) 3.564 2.686 ( -5.003 0.585 -3.505) 6.136 2.686 ( 5.003 0.585 3.505) 6.136 2.857 ( -2.113 -0.084 -3.462) 4.057 2.857 ( 2.113 -0.084 3.462) 4.057 3.217 ( -3.528 -0.874 -4.666) 5.915 3.217 ( 3.528 -0.874 4.666) 5.915 3.380 ( -1.952 0.518 -0.678) 2.130 3.380 ( 1.952 0.518 0.678) 2.130 3.693 ( 0.426 -1.647 -4.297) 4.621 3.693 ( -0.426 -1.647 4.297) 4.621 3.935 ( -0.875 0.830 -3.381) 3.590 3.935 ( 0.875 0.830 3.381) 3.590 4.130 ( 0.802 5.488 -1.109) 5.656 4.130 ( -0.802 5.488 1.109) 5.656 4.297 ( 0.432 5.969 -1.998) 6.309 4.297 ( -0.432 5.969 1.998) 6.309 4.733 ( -4.998 4.273 -10.922) 12.749 4.733 ( 4.998 4.273 10.922) 12.749 4.939 ( -1.687 0.808 -5.898) 6.187 4.939 ( 1.687 0.808 5.898) 6.187 5.761 ( -3.787 -3.800 -4.738) 7.157 5.761 ( 3.787 -3.800 4.738) 7.157 6.093 ( -0.815 -2.373 -4.336) 5.009 6.093 ( 0.815 -2.373 4.336) 5.009 6.553 ( -2.341 3.260 -11.471) 12.152 6.553 ( 2.341 3.260 11.471) 12.152 6.928 ( -1.969 -8.085 -4.769) 9.591 6.928 ( 1.969 -8.085 4.769) 9.591 7.156 ( -0.663 1.478 -1.828) 2.443 7.156 ( 0.663 1.478 1.828) 2.443 7.359 ( -1.139 -1.393 -1.831) 2.567 7.359 ( 1.139 -1.393 1.831) 2.567 7.610 ( 0.601 -3.381 -4.714) 5.832 7.610 ( -0.601 -3.381 4.714) 5.832 8.020 ( -0.230 -4.127 -0.915) 4.233 8.020 ( 0.230 -4.127 0.915) 4.233 8.337 ( 1.846 4.317 -2.395) 5.270 8.337 ( -1.846 4.317 2.395) 5.270 10.720 ( -2.331 14.683 -0.887) 14.894 10.720 ( 2.331 14.683 0.887) 14.894 11.829 ( -1.300 -5.482 -4.069) 6.950 11.829 ( 1.300 -5.482 4.069) 6.950 12.588 ( -5.130 -5.609 -12.325) 14.480 12.588 ( 5.130 -5.609 12.325) 14.480 13.578 ( -3.729 14.301 -10.288) 18.008 13.578 ( 3.729 14.301 10.288) 18.008 14.825 ( -7.993 -2.516 -13.394) 15.800 14.825 ( 7.993 -2.516 13.394) 15.800 15.342 ( -3.098 7.387 -8.658) 11.795 15.342 ( 3.098 7.387 8.658) 11.795 16.116 ( -3.473 -9.542 -4.668) 11.176 16.116 ( 3.473 -9.542 4.668) 11.176 16.244 ( -4.172 -10.408 -6.814) 13.121 16.244 ( 4.172 -10.408 6.814) 13.121 ======================= Grid point 225 (99/110) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.801 ( 1.441 8.521 -8.863) 12.379 0.801 ( -1.441 8.521 8.863) 12.379 1.239 ( 0.150 9.198 -7.300) 11.743 1.239 ( -0.150 9.198 7.300) 11.743 1.586 ( -2.791 -3.206 -5.308) 6.800 1.586 ( 2.791 -3.206 5.308) 6.800 1.942 ( -5.707 8.325 -6.350) 11.925 1.942 ( 5.707 8.325 6.350) 11.925 2.074 ( -2.048 1.036 -7.601) 7.939 2.074 ( 2.048 1.036 7.601) 7.939 2.446 ( -2.361 -1.829 -1.135) 3.195 2.446 ( 2.361 -1.829 1.135) 3.195 2.670 ( 0.095 -3.940 -5.636) 6.877 2.670 ( -0.095 -3.940 5.636) 6.877 2.922 ( 0.218 0.366 -3.870) 3.893 2.922 ( -0.218 0.366 3.870) 3.893 3.347 ( -0.667 4.371 -2.645) 5.152 3.347 ( 0.667 4.371 2.645) 5.152 3.492 ( -1.374 0.675 -0.409) 1.585 3.492 ( 1.374 0.675 0.409) 1.585 3.735 ( -2.085 -2.481 -3.599) 4.843 3.735 ( 2.085 -2.481 3.599) 4.843 3.911 ( -2.845 -2.384 -6.465) 7.455 3.911 ( 2.845 -2.384 6.465) 7.455 4.328 ( 1.502 8.636 -0.917) 8.813 4.328 ( -1.502 8.636 0.917) 8.813 4.636 ( -0.088 -1.783 -1.163) 2.131 4.636 ( 0.088 -1.783 1.163) 2.131 4.817 ( -0.672 3.145 -6.634) 7.372 4.817 ( 0.672 3.145 6.634) 7.372 5.141 ( -5.142 -1.674 -5.623) 7.801 5.141 ( 5.142 -1.674 5.623) 7.801 5.749 ( -3.793 -2.365 -6.969) 8.279 5.749 ( 3.793 -2.365 6.969) 8.279 6.245 ( -3.076 2.270 -5.683) 6.849 6.245 ( 3.076 2.270 5.683) 6.849 6.722 ( -1.954 0.213 -5.228) 5.585 6.722 ( 1.954 0.213 5.228) 5.585 6.964 ( 0.820 0.969 -1.493) 1.960 6.964 ( -0.820 0.969 1.493) 1.960 7.174 ( -0.965 0.212 -1.431) 1.739 7.174 ( 0.965 0.212 1.431) 1.739 7.284 ( 1.537 -3.910 -1.743) 4.548 7.284 ( -1.537 -3.910 1.743) 4.548 7.463 ( -3.905 -4.908 -2.225) 6.656 7.463 ( 3.905 -4.908 2.225) 6.656 7.633 ( 0.078 -1.838 -4.401) 4.770 7.633 ( -0.078 -1.838 4.401) 4.770 8.232 ( -1.040 3.541 -0.018) 3.690 8.232 ( 1.040 3.541 0.018) 3.690 11.323 ( -1.036 8.877 -9.784) 13.252 11.323 ( 1.036 8.877 9.784) 13.252 11.872 ( -1.705 -7.941 -0.839) 8.165 11.872 ( 1.705 -7.941 0.839) 8.165 12.569 ( -5.398 -4.777 -9.721) 12.101 12.569 ( 5.398 -4.777 9.721) 12.101 13.617 ( -2.762 15.938 -8.303) 18.182 13.617 ( 2.762 15.938 8.303) 18.182 14.647 ( -5.346 -3.543 -13.338) 14.800 14.647 ( 5.346 -3.543 13.338) 14.800 15.336 ( -5.899 -10.894 -7.601) 14.534 15.336 ( 5.899 -10.894 7.601) 14.534 16.069 ( -0.278 -1.090 -0.776) 1.367 16.069 ( 0.278 -1.090 0.776) 1.367 16.593 ( -3.068 -0.494 -4.769) 5.692 16.593 ( 3.068 -0.494 4.769) 5.692 ======================= Grid point 227 (100/110) ======================= q-point: ( 0.10 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.234 8.870 -9.047) 12.730 0.879 ( 3.843 7.525 4.122) 9.402 1.268 ( 4.435 9.547 1.436) 10.625 1.360 ( 3.685 6.242 9.427) 11.892 1.493 ( -3.574 2.253 -1.629) 4.528 1.637 ( -2.393 4.176 -0.536) 4.843 1.823 ( 2.287 3.323 -0.709) 4.096 1.908 ( -2.131 1.829 -10.443) 10.814 2.141 ( 5.029 2.030 3.200) 6.298 2.195 ( 3.118 -1.413 3.802) 5.116 2.407 ( -1.337 2.364 3.684) 4.576 2.504 ( 2.117 -1.885 1.767) 3.340 2.629 ( 0.037 -4.708 -5.669) 7.369 2.732 ( 2.239 -2.341 4.672) 5.685 2.864 ( -2.708 1.097 -4.217) 5.130 2.947 ( -0.177 -1.825 1.317) 2.258 3.294 ( -2.709 3.646 -2.047) 4.982 3.366 ( -1.124 3.280 3.215) 4.728 3.453 ( -2.418 -0.765 -0.175) 2.542 3.513 ( 0.823 1.583 -0.176) 1.793 3.657 ( -1.732 -1.788 -4.574) 5.208 3.755 ( -0.726 0.737 -2.396) 2.610 3.871 ( 0.331 -0.438 2.664) 2.720 4.038 ( 3.259 -3.327 8.417) 9.620 4.299 ( -2.371 7.021 0.941) 7.470 4.337 ( -0.091 8.312 -3.436) 8.995 4.536 ( -4.722 1.243 -7.434) 8.894 4.598 ( -2.928 0.046 -0.618) 2.993 4.770 ( -1.061 3.718 -3.795) 5.417 4.873 ( -0.743 0.597 5.215) 5.302 5.007 ( -3.167 -0.650 -2.468) 4.068 5.206 ( -1.407 -3.312 -0.601) 3.648 5.686 ( 0.858 1.082 0.431) 1.447 5.878 ( 2.939 -4.268 5.722) 7.719 6.112 ( -4.784 3.080 -6.892) 8.937 6.306 ( -0.390 -0.102 0.876) 0.965 6.626 ( -4.281 1.482 -1.654) 4.823 6.749 ( -1.904 0.075 2.294) 2.982 6.898 ( -4.544 0.628 1.523) 4.834 6.990 ( 0.861 0.555 4.517) 4.632 7.180 ( 0.370 -0.428 -1.350) 1.464 7.216 ( 2.382 1.719 -0.758) 3.033 7.287 ( -0.265 -4.152 -0.235) 4.167 7.339 ( 4.714 -5.697 -0.538) 7.415 7.370 ( -2.648 -3.958 -1.217) 4.915 7.550 ( 3.594 -5.249 -0.645) 6.394 7.634 ( 3.716 -1.459 -3.067) 5.034 7.690 ( 2.347 -1.350 3.879) 4.731 8.217 ( 0.216 4.176 -0.217) 4.187 8.278 ( 3.165 2.236 -0.174) 3.879 11.192 ( -4.834 10.192 -6.703) 13.121 11.380 ( -2.854 8.949 8.268) 12.513 11.806 ( -3.516 -4.518 1.139) 5.837 11.886 ( -2.387 -12.801 -1.091) 13.067 12.465 ( -0.970 1.581 -2.053) 2.767 12.803 ( 8.172 -7.798 15.173) 18.915 13.450 ( -2.635 13.097 -15.360) 20.357 13.624 ( -1.273 10.659 -11.239) 15.542 14.564 ( 1.192 0.977 4.012) 4.298 14.900 ( 6.687 -2.050 14.910) 16.469 15.172 ( -4.549 -6.694 -5.362) 9.708 15.499 ( 4.851 -12.960 6.555) 15.312 16.061 ( 0.041 -0.447 -1.046) 1.139 16.077 ( 0.067 -1.708 0.226) 1.724 16.409 ( -10.232 0.025 -6.215) 11.972 16.603 ( -4.298 -2.703 -0.510) 5.102 ======================= Grid point 228 (101/110) ======================= q-point: ( 0.20 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 4.860 7.898 -8.527) 12.598 1.021 ( 6.426 3.432 5.226) 8.966 1.367 ( -3.154 8.564 -6.822) 11.394 1.391 ( 5.182 11.448 4.793) 13.449 1.468 ( -0.588 6.512 4.741) 8.076 1.646 ( 3.183 5.660 2.068) 6.815 1.785 ( -0.080 5.131 -7.178) 8.823 1.999 ( 7.830 -4.397 10.111) 13.523 2.166 ( -0.675 -2.602 -6.695) 7.215 2.272 ( 3.965 -0.034 1.130) 4.123 2.428 ( -1.655 3.404 1.521) 4.079 2.552 ( 0.859 -2.678 1.248) 3.077 2.609 ( 1.516 -1.284 1.334) 2.393 2.751 ( -4.389 2.459 -4.839) 6.980 2.822 ( 3.266 -2.517 2.596) 4.873 2.928 ( -1.237 -1.589 -1.375) 2.438 3.209 ( -4.366 2.094 -2.362) 5.388 3.369 ( -1.276 1.702 3.553) 4.141 3.399 ( -2.728 -2.228 -1.417) 3.797 3.508 ( -0.336 -0.484 -1.455) 1.569 3.647 ( 2.244 2.568 -0.230) 3.418 3.703 ( -2.452 2.958 -1.836) 4.258 3.918 ( 1.403 2.067 3.976) 4.695 4.126 ( 0.209 -1.310 1.222) 1.803 4.204 ( -5.395 6.657 -6.348) 10.664 4.281 ( -1.351 2.141 2.825) 3.794 4.462 ( -1.754 5.408 -0.906) 5.757 4.552 ( -0.765 4.643 -0.601) 4.744 4.686 ( -2.843 -1.648 -3.668) 4.925 4.863 ( -3.216 4.355 3.617) 6.511 5.008 ( 1.260 -2.889 2.828) 4.235 5.126 ( -3.342 -1.370 -3.694) 5.167 5.749 ( 1.517 1.402 3.557) 4.113 5.867 ( -3.836 -0.269 -6.775) 7.790 6.030 ( -0.453 0.093 1.964) 2.018 6.255 ( -4.035 -1.920 -0.664) 4.517 6.537 ( -5.204 1.275 2.059) 5.740 6.716 ( -2.989 -3.331 1.886) 4.856 6.865 ( 0.528 3.470 -0.404) 3.533 7.047 ( 0.182 1.343 3.304) 3.571 7.152 ( -1.777 -2.535 0.032) 3.096 7.214 ( -2.802 -6.467 -3.259) 7.765 7.256 ( 1.332 2.962 -0.476) 3.282 7.371 ( 1.589 -2.124 -1.132) 2.884 7.415 ( 2.110 -5.232 2.170) 6.044 7.575 ( 1.357 -5.092 -3.210) 6.171 7.731 ( 6.832 -1.471 -0.607) 7.015 7.772 ( 3.516 -1.693 2.428) 4.596 8.239 ( 2.568 4.269 -0.884) 5.060 8.344 ( 3.430 1.303 0.728) 3.741 11.060 ( -4.554 11.193 -3.015) 12.454 11.351 ( -5.910 11.652 5.631) 14.227 11.750 ( -3.985 -4.025 -0.399) 5.678 11.790 ( -4.244 -13.317 -0.421) 13.983 12.444 ( -1.025 5.062 -1.473) 5.371 13.094 ( 7.844 -12.388 13.525) 19.948 13.303 ( -0.833 10.315 -14.419) 17.748 13.500 ( 1.391 6.650 -7.729) 10.290 14.706 ( 4.342 5.229 13.104) 14.762 14.931 ( -3.928 3.837 -8.471) 10.095 15.248 ( 6.621 -6.744 13.868) 16.782 15.607 ( 2.174 -10.996 3.016) 11.608 15.994 ( -7.321 4.150 -6.505) 10.637 16.085 ( 0.264 -2.479 0.978) 2.678 16.181 ( -6.234 -4.290 -2.423) 7.946 16.442 ( -9.441 -6.666 -4.859) 12.537 ======================= Grid point 229 (102/110) ======================= q-point: ( 0.30 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 7.830 6.428 -4.878) 11.244 1.166 ( 4.890 -0.244 2.365) 5.438 1.283 ( 1.326 12.029 -6.184) 13.590 1.474 ( -1.203 3.282 1.825) 3.943 1.542 ( 1.987 8.378 4.260) 9.607 1.616 ( 0.141 8.257 -4.079) 9.210 1.879 ( 5.860 5.657 6.078) 10.163 2.085 ( -0.175 -2.472 -5.762) 6.272 2.220 ( 4.857 -1.174 2.217) 5.466 2.319 ( 2.764 1.706 3.811) 5.008 2.406 ( 0.448 2.566 0.077) 2.606 2.527 ( -3.369 -1.433 -1.055) 3.810 2.641 ( -0.075 0.442 -5.405) 5.424 2.699 ( 0.575 1.435 7.088) 7.255 2.841 ( -1.552 0.313 -1.659) 2.293 2.956 ( 4.615 -2.205 0.515) 5.141 3.101 ( -4.662 1.337 -2.226) 5.337 3.326 ( -2.335 -3.340 -4.276) 5.907 3.367 ( -1.048 1.346 1.688) 2.400 3.511 ( -0.629 -0.013 2.266) 2.352 3.611 ( -2.859 1.907 -1.820) 3.888 3.696 ( 0.713 2.649 -1.949) 3.366 3.973 ( 0.803 1.033 1.461) 1.961 4.060 ( -3.423 -2.303 -2.811) 4.993 4.134 ( 0.397 6.850 0.924) 6.923 4.311 ( -0.159 2.124 5.571) 5.965 4.394 ( -3.720 4.058 -1.681) 5.756 4.491 ( -2.033 6.400 -5.737) 8.833 4.712 ( 2.934 1.410 6.388) 7.170 4.825 ( -3.403 4.589 3.770) 6.845 5.042 ( -0.271 -1.079 1.028) 1.515 5.059 ( -1.238 -1.348 -2.101) 2.786 5.662 ( -4.847 3.539 -6.196) 8.626 5.831 ( -0.048 -2.808 -0.967) 2.970 6.056 ( 0.729 -0.726 2.942) 3.117 6.169 ( -4.685 -1.289 0.600) 4.896 6.469 ( -4.360 0.718 4.781) 6.511 6.687 ( -1.857 -5.876 3.374) 7.026 6.855 ( -0.205 3.272 -6.032) 6.865 6.989 ( -3.899 -2.880 -6.607) 8.195 7.130 ( -0.988 -1.808 2.330) 3.111 7.202 ( 0.648 -2.981 3.720) 4.811 7.276 ( 0.987 2.767 -0.185) 2.943 7.378 ( 0.513 -0.604 -1.876) 2.037 7.458 ( 0.723 -4.741 2.316) 5.326 7.569 ( 0.743 -4.476 -3.109) 5.500 7.836 ( 3.299 -2.962 1.852) 4.805 7.863 ( 4.943 -2.536 -0.676) 5.597 8.298 ( 4.221 4.529 -0.891) 6.254 8.410 ( 2.280 1.725 1.431) 3.197 10.979 ( -2.471 11.348 -0.415) 11.621 11.243 ( -7.595 13.817 0.425) 15.772 11.667 ( -3.506 -9.717 2.655) 10.666 11.754 ( -0.940 -5.999 0.283) 6.079 12.402 ( -0.924 3.324 -2.893) 4.502 12.981 ( -6.635 -9.269 -21.659) 24.475 13.452 ( 8.225 8.501 12.005) 16.853 13.638 ( 9.256 5.482 14.097) 17.733 14.715 ( -5.940 6.209 -8.267) 11.923 14.947 ( 5.666 5.192 10.160) 12.739 15.468 ( 4.424 -5.506 9.771) 12.056 15.609 ( -1.450 -12.777 -9.616) 16.057 15.727 ( -10.785 8.711 -1.714) 13.969 16.087 ( -0.780 -2.774 0.658) 2.956 16.137 ( -0.174 -6.515 -0.031) 6.517 16.212 ( -9.091 -10.500 -5.545) 14.955 ======================= Grid point 230 (103/110) ======================= q-point: ( 0.40 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 9.958 4.332 -0.802) 10.889 1.247 ( 1.766 0.503 1.170) 2.177 1.289 ( 0.485 7.471 -1.578) 7.652 1.426 ( -1.177 6.269 -3.121) 7.101 1.513 ( -2.221 5.208 0.649) 5.699 1.623 ( -0.875 2.051 -5.410) 5.852 2.007 ( 2.203 6.942 7.410) 10.390 2.120 ( 3.937 3.809 -0.848) 5.543 2.225 ( 2.572 5.218 -1.082) 5.917 2.412 ( 0.146 -0.997 0.569) 1.158 2.458 ( -1.770 4.489 -2.035) 5.237 2.507 ( 4.209 0.049 10.586) 11.392 2.576 ( -0.724 0.958 -6.903) 7.007 2.769 ( -0.660 0.768 6.943) 7.017 2.792 ( -0.059 0.927 -3.676) 3.791 2.973 ( -3.457 -1.094 -4.713) 5.946 3.080 ( 4.098 -0.691 2.243) 4.722 3.252 ( -2.177 -3.623 -3.589) 5.544 3.366 ( 0.097 1.110 0.870) 1.414 3.464 ( -3.786 1.116 -0.949) 4.059 3.597 ( 0.481 -2.116 1.809) 2.825 3.674 ( -1.014 -0.669 -1.569) 1.984 3.957 ( -1.381 -0.896 -2.428) 2.934 3.969 ( -2.346 -2.759 -2.847) 4.606 4.219 ( 3.917 7.823 2.565) 9.117 4.315 ( -3.178 6.938 0.059) 7.632 4.352 ( 0.491 1.943 4.599) 5.017 4.442 ( -0.565 6.467 -0.859) 6.548 4.782 ( -0.006 7.133 2.037) 7.418 4.846 ( 0.998 0.402 7.571) 7.647 4.991 ( -3.221 1.474 -4.193) 5.489 5.027 ( -0.511 2.201 -2.486) 3.359 5.597 ( 0.755 -0.564 0.820) 1.249 5.777 ( -2.765 -4.581 -4.695) 7.119 6.082 ( -0.164 -1.267 0.427) 1.347 6.098 ( -3.292 0.628 1.730) 3.771 6.474 ( -0.291 0.687 8.890) 8.921 6.695 ( -1.195 -5.911 3.493) 6.969 6.758 ( -1.929 0.080 -9.842) 10.029 6.860 ( -3.458 -6.127 -6.339) 9.470 7.151 ( 0.934 0.644 2.065) 2.356 7.222 ( -0.947 0.560 0.392) 1.167 7.305 ( 1.503 1.087 2.021) 2.743 7.369 ( -0.118 -0.166 -1.271) 1.287 7.488 ( 0.757 -4.221 2.350) 4.889 7.553 ( -0.002 -4.302 -2.811) 5.139 7.898 ( 1.519 -3.709 2.521) 4.735 7.925 ( 2.576 -3.706 -2.119) 4.986 8.375 ( 4.113 4.745 -0.589) 6.307 8.445 ( 0.134 3.077 1.353) 3.364 10.959 ( 0.033 11.193 1.091) 11.246 11.100 ( -5.887 12.639 -2.332) 14.136 11.666 ( -0.906 -7.572 6.297) 9.890 11.739 ( -0.271 -5.198 -1.916) 5.546 12.389 ( 1.010 -0.718 0.917) 1.542 12.688 ( -6.623 -7.915 -17.875) 20.640 13.692 ( 7.279 13.558 12.883) 20.069 13.932 ( 6.220 12.665 10.492) 17.583 14.577 ( -0.721 -0.103 -1.097) 1.317 15.062 ( -2.000 3.740 -6.037) 7.378 15.345 ( -5.710 -3.413 -1.397) 6.797 15.549 ( -4.624 -3.456 -0.250) 5.778 15.728 ( 6.765 -5.472 1.138) 8.776 16.013 ( -7.087 -10.319 -1.660) 12.628 16.098 ( -0.133 -3.846 0.197) 3.854 16.131 ( -0.473 -5.612 -0.632) 5.667 ======================= Grid point 231 (104/110) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -8.571 2.335 -2.396) 9.201 1.134 ( 8.571 2.335 2.396) 9.201 1.366 ( -3.468 6.946 -3.852) 8.666 1.366 ( 3.468 6.946 3.852) 8.666 1.534 ( -2.662 1.435 -3.843) 4.890 1.534 ( 2.662 1.435 3.843) 4.890 2.095 ( -1.212 6.080 -6.174) 8.750 2.095 ( 1.212 6.080 6.174) 8.750 2.366 ( -4.934 6.914 -7.729) 11.485 2.366 ( 4.934 6.914 7.729) 11.485 2.451 ( -2.127 -0.243 -3.866) 4.419 2.451 ( 2.127 -0.243 3.866) 4.419 2.694 ( -4.412 0.384 -5.907) 7.383 2.694 ( 4.412 0.384 5.907) 7.383 2.862 ( -2.968 0.762 -5.720) 6.489 2.862 ( 2.968 0.762 5.720) 6.489 3.176 ( -3.530 -2.929 -2.437) 5.194 3.176 ( 3.530 -2.929 2.437) 5.194 3.395 ( -1.966 0.760 -1.020) 2.342 3.395 ( 1.966 0.760 1.020) 2.342 3.633 ( -0.767 -3.730 -3.011) 4.855 3.633 ( 0.767 -3.730 3.011) 4.855 3.933 ( 0.074 -0.784 -1.796) 1.961 3.933 ( -0.074 -0.784 1.796) 1.961 4.271 ( 1.968 7.216 -1.320) 7.595 4.271 ( -1.968 7.216 1.320) 7.595 4.415 ( -1.441 4.539 -3.331) 5.812 4.415 ( 1.441 4.539 3.331) 5.812 4.829 ( -2.075 4.935 -5.299) 7.533 4.829 ( 2.075 4.935 5.299) 7.533 4.980 ( -1.284 2.737 -4.468) 5.395 4.980 ( 1.284 2.737 4.468) 5.395 5.673 ( -3.098 -4.198 -5.396) 7.506 5.673 ( 3.098 -4.198 5.396) 7.506 6.074 ( 0.494 0.115 -1.788) 1.859 6.074 ( -0.494 0.115 1.788) 1.859 6.588 ( -3.152 0.271 -10.961) 11.409 6.588 ( 3.152 0.271 10.961) 11.409 6.766 ( -1.833 -7.106 -4.622) 8.672 6.766 ( 1.833 -7.106 4.622) 8.672 7.190 ( -0.288 1.647 -2.808) 3.268 7.190 ( 0.288 1.647 2.808) 3.268 7.347 ( -0.961 0.114 -1.809) 2.052 7.347 ( 0.961 0.114 1.809) 2.052 7.524 ( -0.039 -4.161 -3.626) 5.519 7.524 ( 0.039 -4.161 3.626) 5.519 7.932 ( 0.389 -4.051 -2.862) 4.975 7.932 ( -0.389 -4.051 2.862) 4.975 8.433 ( 0.717 4.288 -1.586) 4.628 8.433 ( -0.717 4.288 1.586) 4.628 10.998 ( -2.668 11.482 -2.266) 12.003 10.998 ( 2.668 11.482 2.266) 12.003 11.708 ( -0.006 -5.757 -5.212) 7.765 11.708 ( 0.006 -5.757 5.212) 7.765 12.475 ( -4.067 -5.024 -9.315) 11.338 12.475 ( 4.067 -5.024 9.315) 11.338 13.917 ( -4.946 17.875 -10.546) 21.335 13.917 ( 4.946 17.875 10.546) 21.335 14.769 ( -10.651 -3.551 -17.918) 21.145 14.769 ( 10.651 -3.551 17.918) 21.145 15.420 ( -1.544 -1.884 -11.295) 11.555 15.420 ( 1.544 -1.884 11.295) 11.555 15.872 ( -2.622 -8.666 -4.325) 10.034 15.872 ( 2.622 -8.666 4.325) 10.034 16.112 ( -0.638 -4.389 -1.060) 4.560 16.112 ( 0.638 -4.389 1.060) 4.560 ======================= Grid point 237 (105/110) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.352 4.111 -3.673) 5.524 0.942 ( -0.352 4.111 3.673) 5.524 1.390 ( -0.464 5.661 -4.534) 7.268 1.390 ( 0.464 5.661 4.534) 7.268 1.503 ( -0.991 -4.574 -4.813) 6.713 1.503 ( 0.991 -4.574 4.813) 6.713 2.070 ( -2.253 4.350 -5.878) 7.652 2.070 ( 2.253 4.350 5.878) 7.652 2.127 ( -1.774 1.377 -1.860) 2.916 2.127 ( 1.774 1.377 1.860) 2.916 2.404 ( 0.334 -0.412 -2.771) 2.821 2.404 ( -0.334 -0.412 2.771) 2.821 2.567 ( -0.969 -4.860 -5.604) 7.481 2.567 ( 0.969 -4.860 5.604) 7.481 2.964 ( 0.136 2.207 -0.901) 2.388 2.964 ( -0.136 2.207 0.901) 2.388 3.373 ( -0.635 -0.680 -0.601) 1.107 3.373 ( 0.635 -0.680 0.601) 1.107 3.545 ( -1.803 3.272 -1.185) 3.919 3.545 ( 1.803 3.272 1.185) 3.919 3.676 ( -1.738 -2.825 -3.745) 5.003 3.676 ( 1.738 -2.825 3.745) 5.003 3.892 ( -0.855 0.070 -2.211) 2.372 3.892 ( 0.855 0.070 2.211) 2.372 4.468 ( -0.922 2.996 -1.439) 3.449 4.468 ( 0.922 2.996 1.439) 3.449 4.596 ( -0.636 -0.198 -0.334) 0.745 4.596 ( 0.636 -0.198 0.334) 0.745 4.925 ( -1.264 5.413 -4.411) 7.096 4.925 ( 1.264 5.413 4.411) 7.096 5.067 ( -3.014 -4.736 -4.516) 7.205 5.067 ( 3.014 -4.736 4.516) 7.205 5.720 ( -1.291 -0.571 -2.526) 2.894 5.720 ( 1.291 -0.571 2.526) 2.894 6.283 ( -1.340 1.086 -2.868) 3.347 6.283 ( 1.340 1.086 2.868) 3.347 6.710 ( -0.944 -0.729 -2.473) 2.746 6.710 ( 0.944 -0.729 2.473) 2.746 6.985 ( -0.449 0.811 -0.747) 1.190 6.985 ( 0.449 0.811 0.747) 1.190 7.144 ( 0.427 -1.975 -1.084) 2.293 7.144 ( -0.427 -1.975 1.084) 2.293 7.240 ( 0.671 -0.566 -1.754) 1.961 7.240 ( -0.671 -0.566 1.754) 1.961 7.415 ( -1.307 -0.390 -1.893) 2.333 7.415 ( 1.307 -0.390 1.893) 2.333 7.599 ( -0.181 -1.141 -2.579) 2.826 7.599 ( 0.181 -1.141 2.579) 2.826 8.285 ( -0.283 1.379 -0.023) 1.408 8.285 ( 0.283 1.379 0.023) 1.408 11.477 ( -1.432 6.008 -5.207) 8.078 11.477 ( 1.432 6.008 5.207) 8.078 11.703 ( -0.344 -7.030 -2.159) 7.362 11.703 ( 0.344 -7.030 2.159) 7.362 12.508 ( -1.734 -1.296 -3.280) 3.930 12.508 ( 1.734 -1.296 3.280) 3.930 13.917 ( -1.547 10.128 -5.545) 11.650 13.917 ( 1.547 10.128 5.545) 11.650 14.568 ( -3.031 -3.469 -8.718) 9.860 14.568 ( 3.031 -3.469 8.718) 9.860 15.147 ( -2.061 -5.623 -3.641) 7.009 15.147 ( 2.061 -5.623 3.641) 7.009 16.053 ( -0.108 -0.412 -0.272) 0.506 16.053 ( 0.108 -0.412 0.272) 0.506 16.583 ( -1.537 -0.303 -1.622) 2.255 16.583 ( 1.537 -0.303 1.622) 2.255 ======================= Grid point 239 (106/110) ======================= q-point: ( 0.10 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 1.570 7.042 -7.306) 10.269 0.982 ( 3.253 1.280 -1.781) 3.924 1.396 ( 1.513 3.977 4.126) 5.927 1.443 ( 0.915 0.593 1.312) 1.706 1.535 ( 2.632 2.314 10.155) 10.743 1.597 ( 3.370 -4.044 9.896) 11.209 1.979 ( -1.254 5.010 -9.134) 10.493 2.019 ( -3.130 10.257 -7.765) 13.240 2.115 ( -0.103 -4.526 -3.872) 5.957 2.184 ( 3.846 -0.342 1.141) 4.026 2.412 ( -0.081 -2.936 -0.570) 2.992 2.437 ( 2.298 -4.005 1.120) 4.751 2.560 ( 2.294 2.123 2.596) 4.063 2.650 ( 2.566 -4.788 5.833) 7.971 2.931 ( -1.812 3.063 -3.438) 4.948 2.948 ( -1.014 1.000 -1.747) 2.254 3.327 ( -3.220 0.514 -1.352) 3.530 3.359 ( -2.153 -2.575 -0.109) 3.358 3.488 ( -2.586 3.179 -0.795) 4.174 3.537 ( -1.443 -0.801 -3.107) 3.518 3.661 ( 0.767 2.906 2.418) 3.858 3.732 ( 0.460 -2.807 2.649) 3.886 3.907 ( 1.973 2.876 2.858) 4.509 3.967 ( 2.921 -3.038 6.286) 7.568 4.407 ( -3.377 3.105 -2.447) 5.199 4.455 ( -3.205 0.074 -2.546) 4.093 4.571 ( -1.453 2.193 -0.481) 2.674 4.595 ( -0.020 1.849 0.007) 1.849 4.834 ( -3.342 4.288 -7.033) 8.889 4.942 ( -3.091 -5.157 -4.881) 7.744 4.984 ( 0.560 6.467 2.563) 6.979 5.109 ( -0.306 -5.618 0.486) 5.648 5.730 ( 1.609 2.923 3.050) 4.520 5.798 ( 2.497 -3.522 5.055) 6.647 6.188 ( -4.013 4.069 -6.206) 8.436 6.270 ( -2.514 -3.302 -2.956) 5.095 6.660 ( -4.131 2.118 1.322) 4.827 6.713 ( -3.554 -2.713 2.358) 5.055 6.936 ( -2.279 2.608 2.293) 4.154 6.987 ( -0.112 -1.618 5.126) 5.376 7.177 ( -2.086 -0.047 -0.032) 2.087 7.203 ( -0.728 -2.793 -2.864) 4.066 7.213 ( 3.912 0.185 -0.165) 3.920 7.259 ( 3.490 -3.146 0.241) 4.705 7.373 ( 0.178 3.594 -2.368) 4.308 7.459 ( 2.411 -4.125 -2.349) 5.324 7.625 ( 3.997 0.769 -0.402) 4.090 7.656 ( 2.968 -1.834 2.739) 4.436 8.286 ( 0.790 2.249 -0.190) 2.391 8.306 ( 1.824 0.309 -0.190) 1.859 11.381 ( -3.999 8.616 -4.575) 10.543 11.509 ( -1.123 1.283 2.639) 3.142 11.652 ( -3.556 -5.431 -0.247) 6.497 11.708 ( -1.630 -5.672 1.701) 6.142 12.527 ( 2.028 4.214 4.589) 6.552 12.641 ( 5.418 -6.861 10.571) 13.717 13.710 ( -5.131 9.929 -20.225) 23.107 13.792 ( -4.961 2.958 -19.879) 20.701 14.635 ( 4.820 6.659 13.502) 15.807 14.813 ( 7.181 -7.948 19.575) 22.314 15.089 ( -0.948 1.320 -3.680) 4.023 15.229 ( 3.468 -11.161 3.431) 12.180 16.049 ( -0.204 -0.267 0.136) 0.362 16.054 ( -0.234 -0.720 0.049) 0.758 16.454 ( -8.872 3.479 -4.610) 10.586 16.533 ( -6.425 -3.833 -2.618) 7.926 ======================= Grid point 240 (107/110) ======================= q-point: ( 0.20 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 3.568 8.388 -6.371) 11.121 1.031 ( 4.131 -3.057 -2.706) 5.808 1.454 ( 0.523 3.396 3.554) 4.944 1.496 ( 0.954 0.081 4.066) 4.177 1.690 ( 4.945 8.372 10.617) 14.397 1.769 ( 4.023 2.994 1.697) 5.294 1.878 ( 0.670 3.971 -3.222) 5.158 1.962 ( 2.309 3.115 -1.935) 4.333 2.069 ( -0.143 -3.509 -4.962) 6.079 2.224 ( 1.022 -9.552 -3.110) 10.097 2.420 ( 2.245 2.603 -0.026) 3.438 2.501 ( 2.717 -3.545 1.195) 4.623 2.649 ( 2.694 4.436 4.887) 7.129 2.737 ( 2.298 -3.431 2.152) 4.656 2.852 ( -2.683 3.826 -3.021) 5.565 2.905 ( -0.955 -1.117 -3.563) 3.854 3.239 ( -4.503 1.578 -1.599) 5.032 3.302 ( -3.071 -4.382 -0.989) 5.442 3.448 ( -1.646 3.181 0.760) 3.662 3.493 ( -1.226 -1.172 -0.028) 1.696 3.701 ( 0.816 2.261 1.332) 2.748 3.729 ( -1.505 -0.295 0.268) 1.556 3.981 ( 1.642 3.731 4.164) 5.827 4.061 ( 0.903 -3.790 3.628) 5.324 4.307 ( -4.097 2.220 -3.849) 6.044 4.328 ( -5.415 1.316 -0.984) 5.659 4.527 ( -2.376 2.924 -0.600) 3.815 4.605 ( -0.418 -3.102 -0.751) 3.219 4.727 ( -0.792 8.268 -4.094) 9.260 4.878 ( -1.189 -4.897 -0.809) 5.103 5.016 ( 0.601 4.110 1.739) 4.503 5.091 ( -1.066 -2.577 -0.372) 2.814 5.790 ( 0.985 2.606 2.933) 4.045 5.844 ( -0.960 -2.132 -0.650) 2.427 6.072 ( -3.097 4.020 -2.306) 5.574 6.176 ( -3.990 -5.180 -2.566) 7.024 6.573 ( -5.771 2.348 2.477) 6.704 6.637 ( -5.142 -3.710 2.171) 6.702 6.951 ( 0.456 4.771 1.171) 4.934 7.062 ( 1.225 -4.845 5.222) 7.228 7.099 ( -3.179 0.591 -4.542) 5.575 7.119 ( -3.157 -1.141 0.655) 3.421 7.290 ( 3.119 -0.354 -1.478) 3.470 7.318 ( 1.919 -2.664 -0.700) 3.356 7.388 ( 2.155 3.458 -0.223) 4.081 7.479 ( 1.765 -4.443 -2.410) 5.354 7.717 ( 5.037 0.277 0.179) 5.048 7.739 ( 3.677 -1.504 1.546) 4.263 8.317 ( 2.704 2.917 -0.262) 3.986 8.354 ( 3.116 -0.601 0.278) 3.185 11.272 ( -4.425 9.947 -1.868) 11.046 11.488 ( -2.710 -8.932 0.534) 9.349 11.567 ( -4.860 4.685 1.075) 6.835 11.685 ( -1.710 -4.566 1.154) 5.011 12.583 ( -0.640 8.603 1.452) 8.748 12.807 ( 2.316 -12.862 4.899) 13.957 13.520 ( 0.729 8.047 -10.579) 13.311 13.596 ( 0.703 1.047 -9.838) 9.918 14.847 ( 4.681 8.416 13.213) 16.350 15.011 ( -0.123 -2.117 -0.558) 2.193 15.115 ( 6.021 1.028 10.144) 11.841 15.322 ( 3.532 -13.876 1.836) 14.436 16.035 ( -1.956 0.172 -1.803) 2.666 16.045 ( -0.518 -1.187 0.174) 1.307 16.207 ( -11.643 4.892 -4.397) 13.373 16.319 ( -11.623 -5.537 -5.332) 13.935 ======================= Grid point 241 (108/110) ======================= q-point: ( 0.30 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 5.597 8.569 -2.264) 10.482 1.108 ( 4.924 -5.262 0.078) 7.207 1.459 ( -0.485 5.027 -2.316) 5.556 1.507 ( -1.157 0.073 0.669) 1.338 1.710 ( -1.506 6.395 -7.704) 10.125 1.771 ( -0.145 3.110 -9.595) 10.087 1.996 ( 6.352 6.592 11.645) 14.813 2.071 ( 4.011 3.461 0.405) 5.314 2.153 ( 7.684 -5.306 11.810) 15.056 2.229 ( 1.839 -9.718 1.832) 10.058 2.455 ( 1.192 4.632 -2.852) 5.569 2.536 ( 0.446 -2.010 -1.310) 2.441 2.692 ( 0.249 5.183 -3.771) 6.414 2.754 ( 0.976 2.025 1.987) 3.000 2.829 ( -0.786 -0.561 0.752) 1.224 2.890 ( 2.002 -4.069 -0.454) 4.558 3.143 ( -3.923 3.146 -1.481) 5.242 3.233 ( -2.728 -5.023 -2.399) 6.199 3.426 ( -1.557 3.425 0.942) 3.878 3.486 ( -1.122 -2.160 2.254) 3.318 3.661 ( -3.128 2.754 -2.747) 4.992 3.709 ( -1.621 -1.306 -1.778) 2.738 3.981 ( -2.330 0.701 -2.112) 3.222 4.011 ( -3.855 -2.085 -4.013) 5.943 4.267 ( 1.134 4.583 4.332) 6.407 4.318 ( 0.238 -0.704 6.295) 6.339 4.479 ( -2.265 3.971 -0.093) 4.573 4.554 ( -1.848 -1.981 -2.642) 3.784 4.766 ( 2.866 5.508 4.570) 7.710 4.865 ( -0.681 -2.252 1.545) 2.815 5.035 ( 0.534 2.444 0.438) 2.540 5.075 ( -0.283 -0.394 -0.492) 0.691 5.737 ( -4.688 3.191 -6.330) 8.499 5.785 ( -2.366 -1.747 -3.359) 4.464 6.054 ( -0.367 1.053 3.369) 3.549 6.109 ( -2.644 -3.713 2.079) 5.010 6.502 ( -4.061 2.580 4.156) 6.358 6.577 ( -3.194 -4.574 3.408) 6.537 6.894 ( -3.866 1.368 -5.998) 7.266 6.937 ( -5.271 -2.570 -9.069) 10.800 7.128 ( 1.522 1.872 4.086) 4.745 7.171 ( 2.070 -1.140 6.410) 6.832 7.310 ( 0.984 -0.101 -2.356) 2.555 7.334 ( 1.018 -2.363 -1.648) 3.056 7.428 ( 1.272 1.954 1.219) 2.630 7.489 ( 0.900 -3.248 -1.540) 3.706 7.798 ( 2.761 -0.489 1.070) 3.001 7.815 ( 3.605 -1.894 -0.489) 4.101 8.382 ( 4.010 3.208 0.070) 5.135 8.423 ( 3.393 -0.630 0.854) 3.555 11.192 ( -3.320 9.682 0.358) 10.242 11.387 ( -6.407 -7.094 -1.657) 9.702 11.535 ( -0.850 5.642 3.390) 6.636 11.665 ( -0.965 -4.822 0.019) 4.918 12.511 ( -3.471 7.703 -6.388) 10.592 12.727 ( -5.239 -12.607 -12.840) 18.742 13.639 ( 9.289 7.399 11.409) 16.468 13.714 ( 9.489 0.481 12.664) 15.832 14.895 ( -4.077 10.919 -6.136) 13.171 15.053 ( 3.575 1.968 8.034) 9.011 15.281 ( 3.510 -8.085 -1.530) 8.946 15.357 ( 0.569 -10.159 -2.461) 10.468 15.874 ( -9.826 5.765 -2.992) 11.779 15.989 ( -6.472 -5.935 -2.165) 9.045 16.068 ( -2.393 0.509 0.521) 2.501 16.104 ( -4.803 -2.661 -0.593) 5.523 ======================= Grid point 242 (109/110) ======================= q-point: ( 0.40 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 6.040 6.929 0.668) 9.216 1.194 ( 2.319 -4.726 1.318) 5.427 1.431 ( 0.386 5.431 -1.683) 5.699 1.495 ( 0.745 -0.253 -0.262) 0.829 1.610 ( -3.244 3.829 -6.951) 8.574 1.653 ( -2.705 -0.060 -9.170) 9.561 2.132 ( 3.005 6.089 4.729) 8.274 2.221 ( 4.122 2.694 3.245) 5.897 2.303 ( 5.550 -0.072 6.537) 8.576 2.355 ( 0.289 -0.950 1.926) 2.167 2.464 ( 3.459 -0.360 2.854) 4.499 2.509 ( -0.393 -2.063 1.420) 2.535 2.663 ( 0.403 6.361 -5.429) 8.373 2.766 ( -1.046 -2.571 -1.618) 3.213 2.842 ( 0.975 3.804 2.870) 4.864 2.922 ( 0.656 -3.329 -1.312) 3.638 3.089 ( -0.538 2.026 -0.025) 2.096 3.165 ( -2.149 -4.531 -2.592) 5.645 3.405 ( -1.052 2.715 0.758) 3.009 3.461 ( -2.776 -1.864 0.557) 3.390 3.577 ( -2.386 1.035 -2.731) 3.771 3.629 ( -3.429 -3.075 -3.924) 6.051 3.929 ( -1.556 -0.802 -1.106) 2.071 3.933 ( -0.935 -0.996 -1.827) 2.281 4.353 ( 2.334 3.846 2.884) 5.344 4.377 ( 1.451 0.769 5.078) 5.337 4.443 ( -1.757 5.093 1.152) 5.510 4.511 ( -1.520 -0.518 -0.555) 1.699 4.866 ( 2.673 1.706 5.586) 6.423 4.879 ( 0.315 1.409 3.205) 3.515 5.037 ( -0.290 2.640 -0.960) 2.824 5.063 ( -0.333 0.526 -1.773) 1.879 5.620 ( -2.373 2.392 -3.606) 4.935 5.687 ( -3.284 -3.905 -5.367) 7.405 6.073 ( -0.484 0.387 2.383) 2.462 6.092 ( -1.604 -1.060 2.672) 3.292 6.499 ( -0.557 2.215 6.823) 7.196 6.574 ( -0.618 -4.966 5.038) 7.101 6.751 ( -4.411 -0.552 -9.656) 10.630 6.767 ( -4.387 -2.547 -8.362) 9.781 7.191 ( 1.834 3.172 2.814) 4.620 7.240 ( 0.565 0.413 3.440) 3.510 7.306 ( 0.347 -1.267 -0.643) 1.463 7.334 ( 0.598 -2.717 -2.104) 3.488 7.456 ( 0.577 1.036 1.547) 1.949 7.488 ( 0.205 -1.877 -1.316) 2.301 7.844 ( 1.164 -1.105 1.412) 2.137 7.859 ( 1.823 -2.335 -1.436) 3.292 8.457 ( 3.303 2.796 0.195) 4.332 8.483 ( 1.868 0.333 0.849) 2.079 11.155 ( -1.204 7.893 1.619) 8.147 11.258 ( -4.897 0.375 -2.403) 5.467 11.564 ( 0.360 0.485 4.520) 4.560 11.644 ( -0.589 -4.720 -1.813) 5.090 12.408 ( -1.847 2.896 -4.448) 5.620 12.518 ( -4.770 -7.471 -11.709) 14.686 13.956 ( 10.729 10.845 18.177) 23.730 14.088 ( 13.145 -0.089 22.037) 25.660 14.695 ( -7.854 13.150 -13.183) 20.209 15.052 ( -10.755 -16.509 -18.290) 26.884 15.198 ( 2.481 4.459 3.923) 6.436 15.364 ( 0.033 -9.695 -4.758) 10.800 15.771 ( -0.868 4.952 2.876) 5.792 15.873 ( -4.805 -4.760 3.251) 7.505 16.041 ( -0.772 -0.597 -0.089) 0.980 16.063 ( -1.221 -2.159 -0.132) 2.484 ======================= Grid point 243 (110/110) ======================= q-point: (-0.50 0.44 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -3.794 1.235 -1.073) 4.132 1.176 ( 3.794 1.235 1.073) 4.132 1.487 ( -3.596 4.528 -5.097) 7.708 1.487 ( 3.596 4.528 5.097) 7.708 1.547 ( -2.644 -0.902 -4.082) 4.947 1.547 ( 2.644 -0.902 4.082) 4.947 2.221 ( -1.960 6.161 -4.913) 8.120 2.221 ( 1.960 6.161 4.913) 8.120 2.366 ( -1.633 -5.137 -4.149) 6.802 2.366 ( 1.633 -5.137 4.149) 6.802 2.538 ( -3.008 5.966 -6.826) 9.552 2.538 ( 3.008 5.966 6.826) 9.552 2.687 ( -2.982 -1.466 -6.549) 7.344 2.687 ( 2.982 -1.466 6.549) 7.344 2.890 ( -1.251 1.545 -3.199) 3.766 2.890 ( 1.251 1.545 3.199) 3.766 3.113 ( -1.636 -2.391 -1.305) 3.178 3.113 ( 1.636 -2.391 1.305) 3.178 3.413 ( -1.353 0.889 -0.718) 1.771 3.413 ( 1.353 0.889 0.718) 1.771 3.558 ( -0.876 -2.731 -1.549) 3.259 3.558 ( 0.876 -2.731 1.549) 3.259 3.916 ( 0.107 -0.530 -0.971) 1.112 3.916 ( -0.107 -0.530 0.971) 1.112 4.392 ( 0.037 3.745 -1.678) 4.104 4.392 ( -0.037 3.745 1.678) 4.104 4.471 ( -1.582 0.857 -2.589) 3.153 4.471 ( 1.582 0.857 2.589) 3.153 4.914 ( -0.204 2.471 -1.234) 2.769 4.914 ( 0.204 2.471 1.234) 2.769 5.033 ( -0.606 1.767 -1.779) 2.579 5.033 ( 0.606 1.767 1.779) 2.579 5.607 ( -1.186 -1.792 -2.383) 3.209 5.607 ( 1.186 -1.792 2.383) 3.209 6.081 ( -0.078 0.275 -0.555) 0.624 6.081 ( 0.078 0.275 0.555) 0.624 6.585 ( -2.472 0.024 -7.197) 7.610 6.585 ( 2.472 0.024 7.197) 7.610 6.650 ( -1.703 -3.602 -4.402) 5.937 6.650 ( 1.703 -3.602 4.402) 5.937 7.237 ( 0.580 2.979 -3.464) 4.605 7.237 ( -0.580 2.979 3.464) 4.605 7.322 ( 0.112 -3.017 -2.596) 3.981 7.322 ( -0.112 -3.017 2.596) 3.981 7.476 ( 0.034 -0.314 -1.928) 1.953 7.476 ( -0.034 -0.314 1.928) 1.953 7.865 ( 0.280 -1.929 -1.732) 2.608 7.865 ( -0.280 -1.929 1.732) 2.608 8.498 ( 0.223 1.700 -0.589) 1.813 8.498 ( -0.223 1.700 0.589) 1.813 11.175 ( -1.621 4.913 -2.424) 5.713 11.175 ( 1.621 4.913 2.424) 5.713 11.610 ( -0.552 -3.024 -4.034) 5.072 11.610 ( 0.552 -3.024 4.034) 5.072 12.396 ( -1.454 -2.163 -3.302) 4.207 12.396 ( 1.454 -2.163 3.302) 4.207 14.289 ( -7.261 16.403 -13.586) 22.502 14.289 ( 7.261 16.403 13.586) 22.502 14.640 ( -11.287 -9.332 -19.157) 24.113 14.640 ( 11.287 -9.332 19.157) 24.113 15.292 ( -1.748 -5.871 -6.983) 9.289 15.292 ( 1.748 -5.871 6.983) 9.289 15.818 ( -1.825 0.707 -0.636) 2.058 15.818 ( 1.825 0.707 0.636) 2.058 16.041 ( -0.621 -2.085 -0.423) 2.216 16.041 ( 0.621 -2.085 0.423) 2.216 =================== 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 2.555 3.754 5.815 0.000 1.678 0.000 3/23760 20.0 1.497 2.544 3.843 0.000 1.251 0.000 3/23760 30.0 1.014 1.735 2.690 0.000 0.899 0.000 3/23760 40.0 0.772 1.310 2.067 0.000 0.694 0.000 3/23760 50.0 0.632 1.062 1.691 0.000 0.568 0.000 3/23760 60.0 0.541 0.902 1.439 0.000 0.482 0.000 3/23760 70.0 0.478 0.791 1.259 0.000 0.420 0.000 3/23760 80.0 0.431 0.711 1.124 0.000 0.374 0.000 3/23760 90.0 0.395 0.652 1.020 0.000 0.338 0.000 3/23760 100.0 0.367 0.607 0.937 0.000 0.311 0.000 3/23760 110.0 0.345 0.571 0.871 0.000 0.289 0.000 3/23760 120.0 0.326 0.543 0.818 0.000 0.271 0.000 3/23760 130.0 0.311 0.520 0.773 0.000 0.257 0.000 3/23760 140.0 0.298 0.500 0.735 0.000 0.245 0.000 3/23760 150.0 0.286 0.483 0.702 0.000 0.234 0.000 3/23760 160.0 0.276 0.468 0.673 0.000 0.226 0.000 3/23760 170.0 0.268 0.454 0.648 0.000 0.218 0.000 3/23760 180.0 0.259 0.441 0.624 0.000 0.211 0.000 3/23760 190.0 0.252 0.429 0.603 0.000 0.204 0.000 3/23760 200.0 0.245 0.418 0.584 0.000 0.198 0.000 3/23760 210.0 0.238 0.407 0.565 0.000 0.193 0.000 3/23760 220.0 0.232 0.397 0.548 0.000 0.187 0.000 3/23760 230.0 0.226 0.387 0.532 0.000 0.182 0.000 3/23760 240.0 0.220 0.378 0.517 0.000 0.178 0.000 3/23760 250.0 0.215 0.369 0.503 0.000 0.173 0.000 3/23760 260.0 0.210 0.360 0.489 0.000 0.169 0.000 3/23760 270.0 0.205 0.351 0.476 0.000 0.165 0.000 3/23760 280.0 0.200 0.343 0.464 0.000 0.161 0.000 3/23760 290.0 0.195 0.335 0.452 0.000 0.157 0.000 3/23760 300.0 0.191 0.328 0.441 0.000 0.153 0.000 3/23760 310.0 0.187 0.320 0.430 0.000 0.150 0.000 3/23760 320.0 0.182 0.313 0.420 0.000 0.146 0.000 3/23760 330.0 0.178 0.307 0.410 0.000 0.143 0.000 3/23760 340.0 0.175 0.300 0.400 0.000 0.140 0.000 3/23760 350.0 0.171 0.294 0.391 0.000 0.137 0.000 3/23760 360.0 0.167 0.287 0.383 0.000 0.134 0.000 3/23760 370.0 0.164 0.281 0.374 0.000 0.131 0.000 3/23760 380.0 0.161 0.276 0.366 0.000 0.129 0.000 3/23760 390.0 0.157 0.270 0.358 0.000 0.126 0.000 3/23760 400.0 0.154 0.265 0.351 0.000 0.124 0.000 3/23760 410.0 0.151 0.260 0.344 0.000 0.121 0.000 3/23760 420.0 0.148 0.255 0.337 0.000 0.119 0.000 3/23760 430.0 0.146 0.250 0.330 0.000 0.117 0.000 3/23760 440.0 0.143 0.245 0.324 0.000 0.114 0.000 3/23760 450.0 0.140 0.241 0.318 0.000 0.112 0.000 3/23760 460.0 0.138 0.236 0.312 0.000 0.110 0.000 3/23760 470.0 0.135 0.232 0.306 0.000 0.108 0.000 3/23760 480.0 0.133 0.228 0.300 0.000 0.106 0.000 3/23760 490.0 0.131 0.224 0.295 0.000 0.104 0.000 3/23760 500.0 0.128 0.220 0.290 0.000 0.103 0.000 3/23760 510.0 0.126 0.217 0.285 0.000 0.101 0.000 3/23760 520.0 0.124 0.213 0.280 0.000 0.099 0.000 3/23760 530.0 0.122 0.209 0.275 0.000 0.098 0.000 3/23760 540.0 0.120 0.206 0.271 0.000 0.096 0.000 3/23760 550.0 0.118 0.203 0.266 0.000 0.094 0.000 3/23760 560.0 0.116 0.200 0.262 0.000 0.093 0.000 3/23760 570.0 0.115 0.196 0.258 0.000 0.092 0.000 3/23760 580.0 0.113 0.193 0.254 0.000 0.090 0.000 3/23760 590.0 0.111 0.191 0.250 0.000 0.089 0.000 3/23760 600.0 0.109 0.188 0.246 0.000 0.087 0.000 3/23760 610.0 0.108 0.185 0.242 0.000 0.086 0.000 3/23760 620.0 0.106 0.182 0.239 0.000 0.085 0.000 3/23760 630.0 0.105 0.180 0.235 0.000 0.084 0.000 3/23760 640.0 0.103 0.177 0.232 0.000 0.082 0.000 3/23760 650.0 0.102 0.175 0.228 0.000 0.081 0.000 3/23760 660.0 0.100 0.172 0.225 0.000 0.080 0.000 3/23760 670.0 0.099 0.170 0.222 0.000 0.079 0.000 3/23760 680.0 0.098 0.168 0.219 0.000 0.078 0.000 3/23760 690.0 0.096 0.165 0.216 0.000 0.077 0.000 3/23760 700.0 0.095 0.163 0.213 0.000 0.076 0.000 3/23760 710.0 0.094 0.161 0.210 0.000 0.075 0.000 3/23760 720.0 0.093 0.159 0.208 0.000 0.074 0.000 3/23760 730.0 0.092 0.157 0.205 0.000 0.073 0.000 3/23760 740.0 0.090 0.155 0.202 0.000 0.072 0.000 3/23760 750.0 0.089 0.153 0.200 0.000 0.071 0.000 3/23760 760.0 0.088 0.151 0.197 0.000 0.070 0.000 3/23760 770.0 0.087 0.149 0.195 0.000 0.070 0.000 3/23760 780.0 0.086 0.148 0.193 0.000 0.069 0.000 3/23760 790.0 0.085 0.146 0.190 0.000 0.068 0.000 3/23760 800.0 0.084 0.144 0.188 0.000 0.067 0.000 3/23760 810.0 0.083 0.142 0.186 0.000 0.066 0.000 3/23760 820.0 0.082 0.141 0.184 0.000 0.066 0.000 3/23760 830.0 0.081 0.139 0.182 0.000 0.065 0.000 3/23760 840.0 0.080 0.138 0.179 0.000 0.064 0.000 3/23760 850.0 0.079 0.136 0.177 0.000 0.063 0.000 3/23760 860.0 0.079 0.135 0.175 0.000 0.063 0.000 3/23760 870.0 0.078 0.133 0.174 0.000 0.062 0.000 3/23760 880.0 0.077 0.132 0.172 0.000 0.061 0.000 3/23760 890.0 0.076 0.130 0.170 0.000 0.061 0.000 3/23760 900.0 0.075 0.129 0.168 0.000 0.060 0.000 3/23760 910.0 0.074 0.128 0.166 0.000 0.059 0.000 3/23760 920.0 0.074 0.126 0.164 0.000 0.059 0.000 3/23760 930.0 0.073 0.125 0.163 0.000 0.058 0.000 3/23760 940.0 0.072 0.124 0.161 0.000 0.058 0.000 3/23760 950.0 0.071 0.122 0.159 0.000 0.057 0.000 3/23760 960.0 0.071 0.121 0.158 0.000 0.056 0.000 3/23760 970.0 0.070 0.120 0.156 0.000 0.056 0.000 3/23760 980.0 0.069 0.119 0.155 0.000 0.055 0.000 3/23760 990.0 0.069 0.118 0.153 0.000 0.055 0.000 3/23760 1000.0 0.068 0.117 0.152 0.000 0.054 0.000 3/23760 Thermal conductivity related properties were written into "kappa-m1094.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:56:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|