----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:41:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.154166904262953 0.000000000000000 0.000000000000000 b 0.000000000000000 5.736473949999999 0.000000000000000 c -3.905319475785924 0.000000000000000 14.207063640492965 Atomic positions (fractional): *1 K 0.46597388709986 0.26103268766550 0.16368817684018 39.098 *2 K 0.96780556791456 0.73303531727824 0.38390586958502 39.098 3 K 0.03219443208544 0.26696468272176 0.61609413041498 39.098 4 K 0.53402611290014 0.76103268766550 0.33631182315982 39.098 5 K 0.53402611290014 0.73896731233450 0.83631182315982 39.098 6 K 0.03219443208544 0.23303531727824 0.11609413041498 39.098 7 K 0.96780556791456 0.76696468272176 0.88390586958502 39.098 8 K 0.46597388709986 0.23896731233450 0.66368817684018 39.098 *9 Sr 0.73636261966672 0.72625271828680 0.13208093050926 87.620 10 Sr 0.73636261966672 0.77374728171320 0.63208093050926 87.620 11 Sr 0.26363738033328 0.22625271828680 0.36791906949074 87.620 12 Sr 0.26363738033328 0.27374728171320 0.86791906949074 87.620 *13 P 0.69311287977643 0.19960846791657 0.96577208826272 30.974 *14 P 0.81882243873509 0.26887980061748 0.80431844405634 30.974 15 P 0.69311287977643 0.30039153208343 0.46577208826272 30.974 16 P 0.18117756126491 0.76887980061748 0.69568155594366 30.974 17 P 0.81882243873509 0.23112019938252 0.30431844405634 30.974 18 P 0.30688712022357 0.69960846791657 0.53422791173728 30.974 19 P 0.18117756126491 0.73112019938252 0.19568155594366 30.974 20 P 0.30688712022357 0.80039153208343 0.03422791173728 30.974 *21 O 0.73295438106574 0.48258622772609 0.75578797993199 15.999 22 O 0.26704561893426 0.98258622772609 0.74421202006801 15.999 *23 O 0.26392486999701 0.44269271047728 0.51340947456936 15.999 *24 O 0.98693230185019 0.27085870986579 0.80838396434905 15.999 25 O 0.01306769814981 0.72914129013421 0.19161603565095 15.999 26 O 0.73607513000299 0.55730728952272 0.48659052543064 15.999 *27 O 0.73984010741831 0.03786576959993 0.77057368306896 15.999 *28 O 0.28071898954483 0.84399357450731 0.44443683201752 15.999 29 O 0.01306769814981 0.77085870986579 0.69161603565095 15.999 30 O 0.26704561893426 0.51741377227391 0.24421202006800 15.999 31 O 0.26015989258169 0.96213423040007 0.22942631693104 15.999 32 O 0.71928101045517 0.15600642549269 0.55556316798247 15.999 *33 O 0.46058750341473 0.76392223362876 0.10461964122173 15.999 34 O 0.26015989258169 0.53786576959993 0.72942631693104 15.999 35 O 0.26392486999701 0.05730728952272 0.01340947456936 15.999 36 O 0.71928101045517 0.34399357450731 0.05556316798248 15.999 37 O 0.28071898954483 0.65600642549269 0.94443683201753 15.999 38 O 0.53941249658527 0.26392223362876 0.39538035877827 15.999 39 O 0.73984010741831 0.46213423040007 0.27057368306896 15.999 40 O 0.73607513000299 0.94269271047728 0.98659052543064 15.999 41 O 0.98693230185019 0.22914129013421 0.30838396434905 15.999 42 O 0.53941249658527 0.23607776637124 0.89538035877827 15.999 43 O 0.73295438106574 0.01741377227391 0.25578797993199 15.999 *44 O 0.82253809810688 0.30056390115278 0.91649002925204 15.999 45 O 0.46058750341473 0.73607776637124 0.60461964122173 15.999 46 O 0.17746190189312 0.69943609884722 0.08350997074796 15.999 47 O 0.17746190189312 0.80056390115278 0.58350997074796 15.999 48 O 0.82253809810688 0.19943609884722 0.41649002925204 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.154166904262953 0.000000000000000 0.000000000000000 b 0.000000000000000 5.736473949999999 0.000000000000000 c -3.905319475785924 0.000000000000000 14.207063640492965 Atomic positions (fractional): *1 K 0.46597388709986 0.26103268766550 0.16368817684018 39.098 > 1 *2 K 0.96780556791456 0.73303531727824 0.38390586958502 39.098 > 2 3 K 0.03219443208544 0.26696468272176 0.61609413041498 39.098 > 3 4 K 0.53402611290014 0.76103268766550 0.33631182315982 39.098 > 4 5 K 0.53402611290014 0.73896731233450 0.83631182315982 39.098 > 5 6 K 0.03219443208544 0.23303531727824 0.11609413041498 39.098 > 6 7 K 0.96780556791456 0.76696468272176 0.88390586958502 39.098 > 7 8 K 0.46597388709986 0.23896731233450 0.66368817684018 39.098 > 8 *9 Sr 0.73636261966672 0.72625271828680 0.13208093050926 87.620 > 9 10 Sr 0.73636261966672 0.77374728171320 0.63208093050926 87.620 > 10 11 Sr 0.26363738033328 0.22625271828680 0.36791906949074 87.620 > 11 12 Sr 0.26363738033328 0.27374728171320 0.86791906949074 87.620 > 12 *13 P 0.69311287977643 0.19960846791657 0.96577208826272 30.974 > 13 *14 P 0.81882243873509 0.26887980061748 0.80431844405634 30.974 > 14 15 P 0.69311287977643 0.30039153208343 0.46577208826272 30.974 > 15 16 P 0.18117756126491 0.76887980061748 0.69568155594366 30.974 > 16 17 P 0.81882243873509 0.23112019938252 0.30431844405634 30.974 > 17 18 P 0.30688712022357 0.69960846791657 0.53422791173728 30.974 > 18 19 P 0.18117756126491 0.73112019938252 0.19568155594366 30.974 > 19 20 P 0.30688712022357 0.80039153208343 0.03422791173728 30.974 > 20 *21 O 0.73295438106574 0.48258622772609 0.75578797993199 15.999 > 21 22 O 0.26704561893426 0.98258622772609 0.74421202006801 15.999 > 22 *23 O 0.26392486999701 0.44269271047728 0.51340947456936 15.999 > 23 *24 O 0.98693230185019 0.27085870986579 0.80838396434905 15.999 > 24 25 O 0.01306769814981 0.72914129013421 0.19161603565095 15.999 > 25 26 O 0.73607513000299 0.55730728952272 0.48659052543064 15.999 > 26 *27 O 0.73984010741831 0.03786576959993 0.77057368306896 15.999 > 27 *28 O 0.28071898954483 0.84399357450731 0.44443683201752 15.999 > 28 29 O 0.01306769814981 0.77085870986579 0.69161603565095 15.999 > 29 30 O 0.26704561893426 0.51741377227391 0.24421202006800 15.999 > 30 31 O 0.26015989258169 0.96213423040007 0.22942631693104 15.999 > 31 32 O 0.71928101045517 0.15600642549269 0.55556316798247 15.999 > 32 *33 O 0.46058750341473 0.76392223362876 0.10461964122173 15.999 > 33 34 O 0.26015989258169 0.53786576959993 0.72942631693104 15.999 > 34 35 O 0.26392486999701 0.05730728952272 0.01340947456936 15.999 > 35 36 O 0.71928101045517 0.34399357450731 0.05556316798248 15.999 > 36 37 O 0.28071898954483 0.65600642549269 0.94443683201753 15.999 > 37 38 O 0.53941249658527 0.26392223362876 0.39538035877827 15.999 > 38 39 O 0.73984010741831 0.46213423040007 0.27057368306896 15.999 > 39 40 O 0.73607513000299 0.94269271047728 0.98659052543064 15.999 > 40 41 O 0.98693230185019 0.22914129013421 0.30838396434905 15.999 > 41 42 O 0.53941249658527 0.23607776637124 0.89538035877827 15.999 > 42 43 O 0.73295438106574 0.01741377227391 0.25578797993199 15.999 > 43 *44 O 0.82253809810688 0.30056390115278 0.91649002925204 15.999 > 44 45 O 0.46058750341473 0.73607776637124 0.60461964122173 15.999 > 45 46 O 0.17746190189312 0.69943609884722 0.08350997074796 15.999 > 46 47 O 0.17746190189312 0.80056390115278 0.58350997074796 15.999 > 47 48 O 0.82253809810688 0.19943609884722 0.41649002925204 15.999 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.154166904262953 0.000000000000000 0.000000000000000 b 0.000000000000000 11.472947899999998 0.000000000000000 c -3.905319475785924 0.000000000000000 14.207063640492965 Atomic positions (fractional): *1 K 0.46597388709986 0.13051634383275 0.16368817684018 39.098 > 1 2 K 0.46597388709986 0.63051634383275 0.16368817684018 39.098 > 1 *3 K 0.96780556791456 0.36651765863912 0.38390586958502 39.098 > 2 4 K 0.96780556791456 0.86651765863912 0.38390586958502 39.098 > 2 5 K 0.03219443208544 0.13348234136088 0.61609413041498 39.098 > 3 6 K 0.03219443208544 0.63348234136088 0.61609413041498 39.098 > 3 7 K 0.53402611290014 0.38051634383275 0.33631182315982 39.098 > 4 8 K 0.53402611290014 0.88051634383275 0.33631182315982 39.098 > 4 9 K 0.53402611290014 0.36948365616725 0.83631182315982 39.098 > 5 10 K 0.53402611290014 0.86948365616725 0.83631182315982 39.098 > 5 11 K 0.03219443208544 0.11651765863912 0.11609413041498 39.098 > 6 12 K 0.03219443208544 0.61651765863912 0.11609413041498 39.098 > 6 13 K 0.96780556791456 0.38348234136088 0.88390586958502 39.098 > 7 14 K 0.96780556791456 0.88348234136088 0.88390586958502 39.098 > 7 15 K 0.46597388709986 0.11948365616725 0.66368817684018 39.098 > 8 16 K 0.46597388709986 0.61948365616725 0.66368817684018 39.098 > 8 *17 Sr 0.73636261966672 0.36312635914340 0.13208093050926 87.620 > 9 18 Sr 0.73636261966672 0.86312635914340 0.13208093050926 87.620 > 9 19 Sr 0.73636261966672 0.38687364085660 0.63208093050926 87.620 > 10 20 Sr 0.73636261966672 0.88687364085660 0.63208093050926 87.620 > 10 21 Sr 0.26363738033328 0.11312635914340 0.36791906949074 87.620 > 11 22 Sr 0.26363738033328 0.61312635914340 0.36791906949074 87.620 > 11 23 Sr 0.26363738033328 0.13687364085660 0.86791906949074 87.620 > 12 24 Sr 0.26363738033328 0.63687364085660 0.86791906949074 87.620 > 12 *25 P 0.69311287977643 0.09980423395829 0.96577208826272 30.974 > 13 26 P 0.69311287977643 0.59980423395829 0.96577208826272 30.974 > 13 *27 P 0.81882243873509 0.13443990030874 0.80431844405634 30.974 > 14 28 P 0.81882243873509 0.63443990030874 0.80431844405634 30.974 > 14 29 P 0.69311287977643 0.15019576604171 0.46577208826272 30.974 > 15 30 P 0.69311287977643 0.65019576604171 0.46577208826272 30.974 > 15 31 P 0.18117756126491 0.38443990030874 0.69568155594366 30.974 > 16 32 P 0.18117756126491 0.88443990030874 0.69568155594366 30.974 > 16 33 P 0.81882243873509 0.11556009969126 0.30431844405634 30.974 > 17 34 P 0.81882243873509 0.61556009969126 0.30431844405634 30.974 > 17 35 P 0.30688712022357 0.34980423395829 0.53422791173728 30.974 > 18 36 P 0.30688712022357 0.84980423395829 0.53422791173728 30.974 > 18 37 P 0.18117756126491 0.36556009969126 0.19568155594366 30.974 > 19 38 P 0.18117756126491 0.86556009969126 0.19568155594366 30.974 > 19 39 P 0.30688712022357 0.40019576604171 0.03422791173728 30.974 > 20 40 P 0.30688712022357 0.90019576604171 0.03422791173728 30.974 > 20 *41 O 0.73295438106574 0.24129311386305 0.75578797993199 15.999 > 21 42 O 0.73295438106574 0.74129311386305 0.75578797993199 15.999 > 21 43 O 0.26704561893426 0.49129311386305 0.74421202006801 15.999 > 22 44 O 0.26704561893426 0.99129311386305 0.74421202006801 15.999 > 22 *45 O 0.26392486999701 0.22134635523864 0.51340947456936 15.999 > 23 46 O 0.26392486999701 0.72134635523864 0.51340947456936 15.999 > 23 *47 O 0.98693230185019 0.13542935493289 0.80838396434905 15.999 > 24 48 O 0.98693230185019 0.63542935493289 0.80838396434905 15.999 > 24 49 O 0.01306769814981 0.36457064506711 0.19161603565095 15.999 > 25 50 O 0.01306769814981 0.86457064506711 0.19161603565095 15.999 > 25 51 O 0.73607513000299 0.27865364476136 0.48659052543064 15.999 > 26 52 O 0.73607513000299 0.77865364476136 0.48659052543064 15.999 > 26 *53 O 0.73984010741831 0.01893288479997 0.77057368306896 15.999 > 27 54 O 0.73984010741831 0.51893288479997 0.77057368306896 15.999 > 27 *55 O 0.28071898954483 0.42199678725366 0.44443683201752 15.999 > 28 56 O 0.28071898954483 0.92199678725366 0.44443683201752 15.999 > 28 57 O 0.01306769814981 0.38542935493289 0.69161603565095 15.999 > 29 58 O 0.01306769814981 0.88542935493289 0.69161603565095 15.999 > 29 59 O 0.26704561893426 0.25870688613695 0.24421202006800 15.999 > 30 60 O 0.26704561893426 0.75870688613695 0.24421202006800 15.999 > 30 61 O 0.26015989258169 0.48106711520003 0.22942631693104 15.999 > 31 62 O 0.26015989258169 0.98106711520003 0.22942631693104 15.999 > 31 63 O 0.71928101045517 0.07800321274634 0.55556316798247 15.999 > 32 64 O 0.71928101045517 0.57800321274634 0.55556316798247 15.999 > 32 *65 O 0.46058750341473 0.38196111681438 0.10461964122173 15.999 > 33 66 O 0.46058750341473 0.88196111681438 0.10461964122173 15.999 > 33 67 O 0.26015989258169 0.26893288479997 0.72942631693104 15.999 > 34 68 O 0.26015989258169 0.76893288479997 0.72942631693104 15.999 > 34 69 O 0.26392486999701 0.02865364476136 0.01340947456936 15.999 > 35 70 O 0.26392486999701 0.52865364476136 0.01340947456936 15.999 > 35 71 O 0.71928101045517 0.17199678725366 0.05556316798248 15.999 > 36 72 O 0.71928101045517 0.67199678725366 0.05556316798248 15.999 > 36 73 O 0.28071898954483 0.32800321274634 0.94443683201753 15.999 > 37 74 O 0.28071898954483 0.82800321274634 0.94443683201753 15.999 > 37 75 O 0.53941249658527 0.13196111681438 0.39538035877827 15.999 > 38 76 O 0.53941249658527 0.63196111681438 0.39538035877827 15.999 > 38 77 O 0.73984010741831 0.23106711520003 0.27057368306896 15.999 > 39 78 O 0.73984010741831 0.73106711520003 0.27057368306896 15.999 > 39 79 O 0.73607513000299 0.47134635523864 0.98659052543064 15.999 > 40 80 O 0.73607513000299 0.97134635523864 0.98659052543064 15.999 > 40 81 O 0.98693230185019 0.11457064506711 0.30838396434905 15.999 > 41 82 O 0.98693230185019 0.61457064506711 0.30838396434905 15.999 > 41 83 O 0.53941249658527 0.11803888318562 0.89538035877827 15.999 > 42 84 O 0.53941249658527 0.61803888318562 0.89538035877827 15.999 > 42 85 O 0.73295438106574 0.00870688613695 0.25578797993199 15.999 > 43 86 O 0.73295438106574 0.50870688613695 0.25578797993199 15.999 > 43 *87 O 0.82253809810688 0.15028195057639 0.91649002925204 15.999 > 44 88 O 0.82253809810688 0.65028195057639 0.91649002925204 15.999 > 44 89 O 0.46058750341473 0.36803888318562 0.60461964122173 15.999 > 45 90 O 0.46058750341473 0.86803888318562 0.60461964122173 15.999 > 45 91 O 0.17746190189312 0.34971804942361 0.08350997074796 15.999 > 46 92 O 0.17746190189312 0.84971804942361 0.08350997074796 15.999 > 46 93 O 0.17746190189312 0.40028195057639 0.58350997074796 15.999 > 47 94 O 0.17746190189312 0.90028195057639 0.58350997074796 15.999 > 47 95 O 0.82253809810688 0.09971804942361 0.41649002925204 15.999 > 48 96 O 0.82253809810688 0.59971804942361 0.41649002925204 15.999 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5455937 0.0000000 0.0121579 0.0000000 2.5339048 0.0000000 0.0121552 0.0000000 2.5495721 -------------------------- Born effective charges -------------------------- 1 K 1.2541147 0.0158079 0.0650404 0.0248475 1.2246468 0.0655394 0.0405369 0.0401804 1.1521469 2 K 1.2007940 0.0292949 0.0338288 0.0613044 1.2063392 -0.0158949 0.0921169 0.0046228 1.1814553 3 K 1.2007940 0.0292949 0.0338288 0.0613044 1.2063392 -0.0158949 0.0921169 0.0046228 1.1814553 4 K 1.2541147 -0.0158079 0.0650404 -0.0248475 1.2246468 -0.0655394 0.0405369 -0.0401804 1.1521469 5 K 1.2541147 0.0158079 0.0650404 0.0248475 1.2246468 0.0655394 0.0405369 0.0401804 1.1521469 6 K 1.2007940 -0.0292949 0.0338288 -0.0613044 1.2063392 0.0158949 0.0921169 -0.0046228 1.1814553 7 K 1.2007940 -0.0292949 0.0338288 -0.0613044 1.2063392 0.0158949 0.0921169 -0.0046228 1.1814553 8 K 1.2541147 -0.0158079 0.0650404 -0.0248475 1.2246468 -0.0655394 0.0405369 -0.0401804 1.1521469 9 Sr 2.6098984 -0.0456973 0.2034853 -0.0045030 2.6498088 -0.1084161 0.0775389 0.0934335 2.6025353 10 Sr 2.6098984 0.0456973 0.2034853 0.0045030 2.6498088 0.1084161 0.0775389 -0.0934335 2.6025353 11 Sr 2.6098984 0.0456973 0.2034853 0.0045030 2.6498088 0.1084161 0.0775389 -0.0934335 2.6025353 12 Sr 2.6098984 -0.0456973 0.2034853 -0.0045030 2.6498088 -0.1084161 0.0775389 0.0934335 2.6025353 13 P 3.0890606 0.0232315 0.0932490 -0.1000889 3.0034328 0.1633873 -0.4004678 -0.2115050 3.4398799 14 P 3.2778058 -0.0443727 -0.5022963 0.0120770 3.1483473 -0.2605152 0.1025544 0.0129844 3.1900647 15 P 3.0890606 -0.0232315 0.0932490 0.1000889 3.0034328 -0.1633873 -0.4004678 0.2115050 3.4398799 16 P 3.2778058 0.0443727 -0.5022963 -0.0120770 3.1483473 0.2605152 0.1025544 -0.0129844 3.1900647 17 P 3.2778058 0.0443727 -0.5022963 -0.0120770 3.1483473 0.2605152 0.1025544 -0.0129844 3.1900647 18 P 3.0890606 -0.0232315 0.0932490 0.1000889 3.0034328 -0.1633873 -0.4004678 0.2115050 3.4398799 19 P 3.2778058 -0.0443727 -0.5022963 0.0120770 3.1483473 -0.2605152 0.1025544 0.0129844 3.1900647 20 P 3.0890606 0.0232315 0.0932490 -0.1000889 3.0034328 0.1633873 -0.4004678 -0.2115050 3.4398799 21 O -1.3197766 0.1911734 -0.0658967 0.2409725 -2.0147422 0.5536416 -0.1970789 0.5674084 -1.5438144 22 O -1.3197766 -0.1911734 -0.0658967 -0.2409725 -2.0147422 -0.5536416 -0.1970789 -0.5674084 -1.5438144 23 O -1.1542628 -0.0818186 -0.0369504 -0.1435026 -2.0973790 -0.3416268 0.0354942 -0.4375799 -1.5118727 24 O -2.5655535 -0.0102895 -0.1401809 -0.0054755 -1.1731729 0.0479274 -0.1244197 0.0053426 -1.1363119 25 O -2.5655535 -0.0102895 -0.1401809 -0.0054755 -1.1731729 0.0479274 -0.1244197 0.0053426 -1.1363119 26 O -1.1542628 -0.0818186 -0.0369504 -0.1435026 -2.0973790 -0.3416268 0.0354942 -0.4375799 -1.5118727 27 O -1.3044809 -0.1892798 -0.0228833 -0.2228093 -2.0106312 -0.3792524 -0.1397435 -0.4566026 -1.4968886 28 O -1.1192264 -0.0964949 0.0548170 -0.0862942 -1.7182232 0.6305679 0.0764521 0.7055191 -2.0021974 29 O -2.5655535 0.0102895 -0.1401809 0.0054755 -1.1731729 -0.0479274 -0.1244197 -0.0053426 -1.1363119 30 O -1.3197766 0.1911734 -0.0658967 0.2409725 -2.0147422 0.5536416 -0.1970789 0.5674084 -1.5438144 31 O -1.3044809 -0.1892798 -0.0228833 -0.2228093 -2.0106312 -0.3792524 -0.1397435 -0.4566026 -1.4968886 32 O -1.1192264 -0.0964949 0.0548170 -0.0862942 -1.7182232 0.6305679 0.0764521 0.7055191 -2.0021974 33 O -2.1273364 0.1588208 -0.5931112 0.1343467 -1.1592636 0.0774569 -0.4563754 0.1284197 -1.5017736 34 O -1.3044809 0.1892798 -0.0228833 0.2228093 -2.0106312 0.3792524 -0.1397435 0.4566026 -1.4968886 35 O -1.1542628 0.0818186 -0.0369504 0.1435026 -2.0973790 0.3416268 0.0354942 0.4375799 -1.5118727 36 O -1.1192264 0.0964949 0.0548170 0.0862942 -1.7182232 -0.6305679 0.0764521 -0.7055191 -2.0021974 37 O -1.1192264 0.0964949 0.0548170 0.0862942 -1.7182232 -0.6305679 0.0764521 -0.7055191 -2.0021974 38 O -2.1273364 -0.1588208 -0.5931112 -0.1343467 -1.1592636 -0.0774569 -0.4563754 -0.1284197 -1.5017736 39 O -1.3044809 0.1892798 -0.0228833 0.2228093 -2.0106312 0.3792524 -0.1397435 0.4566026 -1.4968886 40 O -1.1542628 0.0818186 -0.0369504 0.1435026 -2.0973790 0.3416268 0.0354942 0.4375799 -1.5118727 41 O -2.5655535 0.0102895 -0.1401809 0.0054755 -1.1731729 -0.0479274 -0.1244197 -0.0053426 -1.1363119 42 O -2.1273364 0.1588208 -0.5931112 0.1343467 -1.1592636 0.0774569 -0.4563754 0.1284197 -1.5017736 43 O -1.3197766 -0.1911734 -0.0658967 -0.2409725 -2.0147422 -0.5536416 -0.1970789 -0.5674084 -1.5438144 44 O -1.8410369 -0.2699754 0.9108984 -0.2905914 -1.0591628 0.1737264 0.8933920 0.1495454 -2.3732237 45 O -2.1273364 -0.1588208 -0.5931112 -0.1343467 -1.1592636 -0.0774569 -0.4563754 -0.1284197 -1.5017736 46 O -1.8410369 -0.2699754 0.9108984 -0.2905914 -1.0591628 0.1737264 0.8933920 0.1495454 -2.3732237 47 O -1.8410369 0.2699754 0.9108984 0.2905914 -1.0591628 -0.1737264 0.8933920 -0.1495454 -2.3732237 48 O -1.8410369 0.2699754 0.9108984 0.2905914 -1.0591628 -0.1737264 0.8933920 -0.1495454 -2.3732237 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 39), data: (1152, 63) @ (63, 39) |-- (152, 136), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 230), data: True |-- (250, 229), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 226), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 39), data: (1152, 63) @ (63, 39) |-- (152, 136), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 230), data: True |-- (250, 229), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 226), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1440 - Time: 1.180 Solver_block: 200 / 1440 - Time: 1.007 Solver_block: 300 / 1440 - Time: 1.004 Solver_block: 400 / 1440 - Time: 1.007 Solver_block: 500 / 1440 - Time: 1.003 Solver_block: 600 / 1440 - Time: 1.005 Solver_block: 700 / 1440 - Time: 1.006 Solver_block: 800 / 1440 - Time: 1.005 Solver_block: 900 / 1440 - Time: 1.002 Solver_block: 1000 / 1440 - Time: 1.007 Solver_block: 1100 / 1440 - Time: 1.002 Solver_block: 1200 / 1440 - Time: 1.005 Solver_block: 1300 / 1440 - Time: 1.007 Solver_block: 1400 / 1440 - Time: 1.004 Solver_block: 1440 / 1440 - Time: 0.537 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.183 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5292 Number of blocks in projector: 5292 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 41 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 136 eigenvectors found. (1) Complementary block size: 63 (1) Compute compressed projector. (1) Use standard solver. (1) 39 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1152 / 1152 (1) 143 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (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: 612 / 612 (1) 100 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. Tree of FC basis block matrices: - (5292, 5185), data: False |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (612, 600), data: False |-- (612, 12), data: (612, 24) @ (24, 12) |-- (112, 100), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 28), data: (1152, 51) @ (51, 28) |-- (152, 143), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 39), data: (1152, 63) @ (63, 39) |-- (152, 136), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 230), data: True |-- (250, 229), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 226), data: True |-- (250, 227), data: True |-- (1152, 1128), data: False |-- (1152, 39), data: (1152, 63) @ (63, 39) |-- (152, 136), data: True |-- (500, 477), data: False |-- (500, 18), data: (500, 41) @ (41, 18) |-- (250, 230), data: True |-- (250, 229), data: True |-- (500, 476), data: False |-- (500, 23), data: (500, 47) @ (47, 23) |-- (250, 226), data: True |-- (250, 227), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:42:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:42:26]------------------------- 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.154166904262953 0.000000000000000 0.000000000000000 b 0.000000000000000 5.736473949999999 0.000000000000000 c -3.905319475785924 0.000000000000000 14.207063640492965 Atomic positions (fractional): 1 K 0.46597388709986 0.26103268766550 0.16368817684018 39.098 2 K 0.96780556791456 0.73303531727824 0.38390586958502 39.098 3 K 0.03219443208544 0.26696468272176 0.61609413041498 39.098 4 K 0.53402611290014 0.76103268766550 0.33631182315982 39.098 5 K 0.53402611290014 0.73896731233450 0.83631182315982 39.098 6 K 0.03219443208544 0.23303531727824 0.11609413041498 39.098 7 K 0.96780556791456 0.76696468272176 0.88390586958502 39.098 8 K 0.46597388709986 0.23896731233450 0.66368817684018 39.098 9 Sr 0.73636261966672 0.72625271828680 0.13208093050926 87.620 10 Sr 0.73636261966672 0.77374728171320 0.63208093050926 87.620 11 Sr 0.26363738033328 0.22625271828680 0.36791906949074 87.620 12 Sr 0.26363738033328 0.27374728171320 0.86791906949074 87.620 13 P 0.69311287977643 0.19960846791657 0.96577208826272 30.974 14 P 0.81882243873509 0.26887980061748 0.80431844405634 30.974 15 P 0.69311287977643 0.30039153208343 0.46577208826272 30.974 16 P 0.18117756126491 0.76887980061748 0.69568155594366 30.974 17 P 0.81882243873509 0.23112019938252 0.30431844405634 30.974 18 P 0.30688712022357 0.69960846791657 0.53422791173728 30.974 19 P 0.18117756126491 0.73112019938252 0.19568155594366 30.974 20 P 0.30688712022357 0.80039153208343 0.03422791173728 30.974 21 O 0.73295438106574 0.48258622772609 0.75578797993199 15.999 22 O 0.26704561893426 0.98258622772609 0.74421202006801 15.999 23 O 0.26392486999701 0.44269271047728 0.51340947456936 15.999 24 O 0.98693230185019 0.27085870986579 0.80838396434905 15.999 25 O 0.01306769814981 0.72914129013421 0.19161603565095 15.999 26 O 0.73607513000299 0.55730728952272 0.48659052543064 15.999 27 O 0.73984010741831 0.03786576959993 0.77057368306896 15.999 28 O 0.28071898954483 0.84399357450731 0.44443683201752 15.999 29 O 0.01306769814981 0.77085870986579 0.69161603565095 15.999 30 O 0.26704561893426 0.51741377227391 0.24421202006800 15.999 31 O 0.26015989258169 0.96213423040007 0.22942631693104 15.999 32 O 0.71928101045517 0.15600642549269 0.55556316798247 15.999 33 O 0.46058750341473 0.76392223362876 0.10461964122173 15.999 34 O 0.26015989258169 0.53786576959993 0.72942631693104 15.999 35 O 0.26392486999701 0.05730728952272 0.01340947456936 15.999 36 O 0.71928101045517 0.34399357450731 0.05556316798248 15.999 37 O 0.28071898954483 0.65600642549269 0.94443683201753 15.999 38 O 0.53941249658527 0.26392223362876 0.39538035877827 15.999 39 O 0.73984010741831 0.46213423040007 0.27057368306896 15.999 40 O 0.73607513000299 0.94269271047728 0.98659052543064 15.999 41 O 0.98693230185019 0.22914129013421 0.30838396434905 15.999 42 O 0.53941249658527 0.23607776637124 0.89538035877827 15.999 43 O 0.73295438106574 0.01741377227391 0.25578797993199 15.999 44 O 0.82253809810688 0.30056390115278 0.91649002925204 15.999 45 O 0.46058750341473 0.73607776637124 0.60461964122173 15.999 46 O 0.17746190189312 0.69943609884722 0.08350997074796 15.999 47 O 0.17746190189312 0.80056390115278 0.58350997074796 15.999 48 O 0.82253809810688 0.19943609884722 0.41649002925204 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.154166904262953 0.000000000000000 0.000000000000000 b 0.000000000000000 11.472947899999998 0.000000000000000 c -3.905319475785924 0.000000000000000 14.207063640492965 Atomic positions (fractional): 1 K 0.46597388709986 0.13051634383275 0.16368817684018 39.098 > 1 2 K 0.46597388709986 0.63051634383275 0.16368817684018 39.098 > 1 3 K 0.96780556791456 0.36651765863912 0.38390586958502 39.098 > 3 4 K 0.96780556791456 0.86651765863912 0.38390586958502 39.098 > 3 5 K 0.03219443208544 0.13348234136088 0.61609413041498 39.098 > 5 6 K 0.03219443208544 0.63348234136088 0.61609413041498 39.098 > 5 7 K 0.53402611290014 0.38051634383275 0.33631182315982 39.098 > 7 8 K 0.53402611290014 0.88051634383275 0.33631182315982 39.098 > 7 9 K 0.53402611290014 0.36948365616725 0.83631182315982 39.098 > 9 10 K 0.53402611290014 0.86948365616725 0.83631182315982 39.098 > 9 11 K 0.03219443208544 0.11651765863912 0.11609413041498 39.098 > 11 12 K 0.03219443208544 0.61651765863912 0.11609413041498 39.098 > 11 13 K 0.96780556791456 0.38348234136088 0.88390586958502 39.098 > 13 14 K 0.96780556791456 0.88348234136088 0.88390586958502 39.098 > 13 15 K 0.46597388709986 0.11948365616725 0.66368817684018 39.098 > 15 16 K 0.46597388709986 0.61948365616725 0.66368817684018 39.098 > 15 17 Sr 0.73636261966672 0.36312635914340 0.13208093050926 87.620 > 17 18 Sr 0.73636261966672 0.86312635914340 0.13208093050926 87.620 > 17 19 Sr 0.73636261966672 0.38687364085660 0.63208093050926 87.620 > 19 20 Sr 0.73636261966672 0.88687364085660 0.63208093050926 87.620 > 19 21 Sr 0.26363738033328 0.11312635914340 0.36791906949074 87.620 > 21 22 Sr 0.26363738033328 0.61312635914340 0.36791906949074 87.620 > 21 23 Sr 0.26363738033328 0.13687364085660 0.86791906949074 87.620 > 23 24 Sr 0.26363738033328 0.63687364085660 0.86791906949074 87.620 > 23 25 P 0.69311287977643 0.09980423395829 0.96577208826272 30.974 > 25 26 P 0.69311287977643 0.59980423395829 0.96577208826272 30.974 > 25 27 P 0.81882243873509 0.13443990030874 0.80431844405634 30.974 > 27 28 P 0.81882243873509 0.63443990030874 0.80431844405634 30.974 > 27 29 P 0.69311287977643 0.15019576604171 0.46577208826272 30.974 > 29 30 P 0.69311287977643 0.65019576604171 0.46577208826272 30.974 > 29 31 P 0.18117756126491 0.38443990030874 0.69568155594366 30.974 > 31 32 P 0.18117756126491 0.88443990030874 0.69568155594366 30.974 > 31 33 P 0.81882243873509 0.11556009969126 0.30431844405634 30.974 > 33 34 P 0.81882243873509 0.61556009969126 0.30431844405634 30.974 > 33 35 P 0.30688712022357 0.34980423395829 0.53422791173728 30.974 > 35 36 P 0.30688712022357 0.84980423395829 0.53422791173728 30.974 > 35 37 P 0.18117756126491 0.36556009969126 0.19568155594366 30.974 > 37 38 P 0.18117756126491 0.86556009969126 0.19568155594366 30.974 > 37 39 P 0.30688712022357 0.40019576604171 0.03422791173728 30.974 > 39 40 P 0.30688712022357 0.90019576604171 0.03422791173728 30.974 > 39 41 O 0.73295438106574 0.24129311386305 0.75578797993199 15.999 > 41 42 O 0.73295438106574 0.74129311386305 0.75578797993199 15.999 > 41 43 O 0.26704561893426 0.49129311386305 0.74421202006801 15.999 > 43 44 O 0.26704561893426 0.99129311386305 0.74421202006801 15.999 > 43 45 O 0.26392486999701 0.22134635523864 0.51340947456936 15.999 > 45 46 O 0.26392486999701 0.72134635523864 0.51340947456936 15.999 > 45 47 O 0.98693230185019 0.13542935493289 0.80838396434905 15.999 > 47 48 O 0.98693230185019 0.63542935493289 0.80838396434905 15.999 > 47 49 O 0.01306769814981 0.36457064506711 0.19161603565095 15.999 > 49 50 O 0.01306769814981 0.86457064506711 0.19161603565095 15.999 > 49 51 O 0.73607513000299 0.27865364476136 0.48659052543064 15.999 > 51 52 O 0.73607513000299 0.77865364476136 0.48659052543064 15.999 > 51 53 O 0.73984010741831 0.01893288479997 0.77057368306896 15.999 > 53 54 O 0.73984010741831 0.51893288479997 0.77057368306896 15.999 > 53 55 O 0.28071898954483 0.42199678725366 0.44443683201752 15.999 > 55 56 O 0.28071898954483 0.92199678725366 0.44443683201752 15.999 > 55 57 O 0.01306769814981 0.38542935493289 0.69161603565095 15.999 > 57 58 O 0.01306769814981 0.88542935493289 0.69161603565095 15.999 > 57 59 O 0.26704561893426 0.25870688613695 0.24421202006800 15.999 > 59 60 O 0.26704561893426 0.75870688613695 0.24421202006800 15.999 > 59 61 O 0.26015989258169 0.48106711520003 0.22942631693104 15.999 > 61 62 O 0.26015989258169 0.98106711520003 0.22942631693104 15.999 > 61 63 O 0.71928101045517 0.07800321274634 0.55556316798247 15.999 > 63 64 O 0.71928101045517 0.57800321274634 0.55556316798247 15.999 > 63 65 O 0.46058750341473 0.38196111681438 0.10461964122173 15.999 > 65 66 O 0.46058750341473 0.88196111681438 0.10461964122173 15.999 > 65 67 O 0.26015989258169 0.26893288479997 0.72942631693104 15.999 > 67 68 O 0.26015989258169 0.76893288479997 0.72942631693104 15.999 > 67 69 O 0.26392486999701 0.02865364476136 0.01340947456936 15.999 > 69 70 O 0.26392486999701 0.52865364476136 0.01340947456936 15.999 > 69 71 O 0.71928101045517 0.17199678725366 0.05556316798248 15.999 > 71 72 O 0.71928101045517 0.67199678725366 0.05556316798248 15.999 > 71 73 O 0.28071898954483 0.32800321274634 0.94443683201753 15.999 > 73 74 O 0.28071898954483 0.82800321274634 0.94443683201753 15.999 > 73 75 O 0.53941249658527 0.13196111681438 0.39538035877827 15.999 > 75 76 O 0.53941249658527 0.63196111681438 0.39538035877827 15.999 > 75 77 O 0.73984010741831 0.23106711520003 0.27057368306896 15.999 > 77 78 O 0.73984010741831 0.73106711520003 0.27057368306896 15.999 > 77 79 O 0.73607513000299 0.47134635523864 0.98659052543064 15.999 > 79 80 O 0.73607513000299 0.97134635523864 0.98659052543064 15.999 > 79 81 O 0.98693230185019 0.11457064506711 0.30838396434905 15.999 > 81 82 O 0.98693230185019 0.61457064506711 0.30838396434905 15.999 > 81 83 O 0.53941249658527 0.11803888318562 0.89538035877827 15.999 > 83 84 O 0.53941249658527 0.61803888318562 0.89538035877827 15.999 > 83 85 O 0.73295438106574 0.00870688613695 0.25578797993199 15.999 > 85 86 O 0.73295438106574 0.50870688613695 0.25578797993199 15.999 > 85 87 O 0.82253809810688 0.15028195057639 0.91649002925204 15.999 > 87 88 O 0.82253809810688 0.65028195057639 0.91649002925204 15.999 > 87 89 O 0.46058750341473 0.36803888318562 0.60461964122173 15.999 > 89 90 O 0.46058750341473 0.86803888318562 0.60461964122173 15.999 > 89 91 O 0.17746190189312 0.34971804942361 0.08350997074796 15.999 > 91 92 O 0.17746190189312 0.84971804942361 0.08350997074796 15.999 > 91 93 O 0.17746190189312 0.40028195057639 0.58350997074796 15.999 > 93 94 O 0.17746190189312 0.90028195057639 0.58350997074796 15.999 > 93 95 O 0.82253809810688 0.09971804942361 0.41649002925204 15.999 > 95 96 O 0.82253809810688 0.59971804942361 0.41649002925204 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5455937 0.0000000 0.0121579 0.0000000 2.5339048 0.0000000 0.0121552 0.0000000 2.5495721 -------------------------- Born effective charges -------------------------- 1 K 1.2541147 0.0158079 0.0650404 0.0248475 1.2246468 0.0655394 0.0405369 0.0401804 1.1521469 2 K 1.2007940 0.0292949 0.0338288 0.0613044 1.2063392 -0.0158949 0.0921169 0.0046228 1.1814553 3 K 1.2007940 0.0292949 0.0338288 0.0613044 1.2063392 -0.0158949 0.0921169 0.0046228 1.1814553 4 K 1.2541147 -0.0158079 0.0650404 -0.0248475 1.2246468 -0.0655394 0.0405369 -0.0401804 1.1521469 5 K 1.2541147 0.0158079 0.0650404 0.0248475 1.2246468 0.0655394 0.0405369 0.0401804 1.1521469 6 K 1.2007940 -0.0292949 0.0338288 -0.0613044 1.2063392 0.0158949 0.0921169 -0.0046228 1.1814553 7 K 1.2007940 -0.0292949 0.0338288 -0.0613044 1.2063392 0.0158949 0.0921169 -0.0046228 1.1814553 8 K 1.2541147 -0.0158079 0.0650404 -0.0248475 1.2246468 -0.0655394 0.0405369 -0.0401804 1.1521469 9 Sr 2.6098984 -0.0456973 0.2034853 -0.0045030 2.6498088 -0.1084161 0.0775389 0.0934335 2.6025353 10 Sr 2.6098984 0.0456973 0.2034853 0.0045030 2.6498088 0.1084161 0.0775389 -0.0934335 2.6025353 11 Sr 2.6098984 0.0456973 0.2034853 0.0045030 2.6498088 0.1084161 0.0775389 -0.0934335 2.6025353 12 Sr 2.6098984 -0.0456973 0.2034853 -0.0045030 2.6498088 -0.1084161 0.0775389 0.0934335 2.6025353 13 P 3.0890606 0.0232315 0.0932490 -0.1000889 3.0034328 0.1633873 -0.4004678 -0.2115050 3.4398799 14 P 3.2778058 -0.0443727 -0.5022963 0.0120770 3.1483473 -0.2605152 0.1025544 0.0129844 3.1900647 15 P 3.0890606 -0.0232315 0.0932490 0.1000889 3.0034328 -0.1633873 -0.4004678 0.2115050 3.4398799 16 P 3.2778058 0.0443727 -0.5022963 -0.0120770 3.1483473 0.2605152 0.1025544 -0.0129844 3.1900647 17 P 3.2778058 0.0443727 -0.5022963 -0.0120770 3.1483473 0.2605152 0.1025544 -0.0129844 3.1900647 18 P 3.0890606 -0.0232315 0.0932490 0.1000889 3.0034328 -0.1633873 -0.4004678 0.2115050 3.4398799 19 P 3.2778058 -0.0443727 -0.5022963 0.0120770 3.1483473 -0.2605152 0.1025544 0.0129844 3.1900647 20 P 3.0890606 0.0232315 0.0932490 -0.1000889 3.0034328 0.1633873 -0.4004678 -0.2115050 3.4398799 21 O -1.3197766 0.1911734 -0.0658967 0.2409725 -2.0147422 0.5536416 -0.1970789 0.5674084 -1.5438144 22 O -1.3197766 -0.1911734 -0.0658967 -0.2409725 -2.0147422 -0.5536416 -0.1970789 -0.5674084 -1.5438144 23 O -1.1542628 -0.0818186 -0.0369504 -0.1435026 -2.0973790 -0.3416268 0.0354942 -0.4375799 -1.5118727 24 O -2.5655535 -0.0102895 -0.1401809 -0.0054755 -1.1731729 0.0479274 -0.1244197 0.0053426 -1.1363119 25 O -2.5655535 -0.0102895 -0.1401809 -0.0054755 -1.1731729 0.0479274 -0.1244197 0.0053426 -1.1363119 26 O -1.1542628 -0.0818186 -0.0369504 -0.1435026 -2.0973790 -0.3416268 0.0354942 -0.4375799 -1.5118727 27 O -1.3044809 -0.1892798 -0.0228833 -0.2228093 -2.0106312 -0.3792524 -0.1397435 -0.4566026 -1.4968886 28 O -1.1192264 -0.0964949 0.0548170 -0.0862942 -1.7182232 0.6305679 0.0764521 0.7055191 -2.0021974 29 O -2.5655535 0.0102895 -0.1401809 0.0054755 -1.1731729 -0.0479274 -0.1244197 -0.0053426 -1.1363119 30 O -1.3197766 0.1911734 -0.0658967 0.2409725 -2.0147422 0.5536416 -0.1970789 0.5674084 -1.5438144 31 O -1.3044809 -0.1892798 -0.0228833 -0.2228093 -2.0106312 -0.3792524 -0.1397435 -0.4566026 -1.4968886 32 O -1.1192264 -0.0964949 0.0548170 -0.0862942 -1.7182232 0.6305679 0.0764521 0.7055191 -2.0021974 33 O -2.1273364 0.1588208 -0.5931112 0.1343467 -1.1592636 0.0774569 -0.4563754 0.1284197 -1.5017736 34 O -1.3044809 0.1892798 -0.0228833 0.2228093 -2.0106312 0.3792524 -0.1397435 0.4566026 -1.4968886 35 O -1.1542628 0.0818186 -0.0369504 0.1435026 -2.0973790 0.3416268 0.0354942 0.4375799 -1.5118727 36 O -1.1192264 0.0964949 0.0548170 0.0862942 -1.7182232 -0.6305679 0.0764521 -0.7055191 -2.0021974 37 O -1.1192264 0.0964949 0.0548170 0.0862942 -1.7182232 -0.6305679 0.0764521 -0.7055191 -2.0021974 38 O -2.1273364 -0.1588208 -0.5931112 -0.1343467 -1.1592636 -0.0774569 -0.4563754 -0.1284197 -1.5017736 39 O -1.3044809 0.1892798 -0.0228833 0.2228093 -2.0106312 0.3792524 -0.1397435 0.4566026 -1.4968886 40 O -1.1542628 0.0818186 -0.0369504 0.1435026 -2.0973790 0.3416268 0.0354942 0.4375799 -1.5118727 41 O -2.5655535 0.0102895 -0.1401809 0.0054755 -1.1731729 -0.0479274 -0.1244197 -0.0053426 -1.1363119 42 O -2.1273364 0.1588208 -0.5931112 0.1343467 -1.1592636 0.0774569 -0.4563754 0.1284197 -1.5017736 43 O -1.3197766 -0.1911734 -0.0658967 -0.2409725 -2.0147422 -0.5536416 -0.1970789 -0.5674084 -1.5438144 44 O -1.8410369 -0.2699754 0.9108984 -0.2905914 -1.0591628 0.1737264 0.8933920 0.1495454 -2.3732237 45 O -2.1273364 -0.1588208 -0.5931112 -0.1343467 -1.1592636 -0.0774569 -0.4563754 -0.1284197 -1.5017736 46 O -1.8410369 -0.2699754 0.9108984 -0.2905914 -1.0591628 0.1737264 0.8933920 0.1495454 -2.3732237 47 O -1.8410369 0.2699754 0.9108984 0.2905914 -1.0591628 -0.1737264 0.8933920 -0.1495454 -2.3732237 48 O -1.8410369 0.2699754 0.9108984 0.2905914 -1.0591628 -0.1737264 0.8933920 -0.1495454 -2.3732237 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 3, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 27, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 47, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 55, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 65, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 87, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:43:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:43:09]------------------------- 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): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.154166904262953 0.000000000000000 0.000000000000000 b 0.000000000000000 5.736473949999999 0.000000000000000 c -3.905319475785924 0.000000000000000 14.207063640492965 Atomic positions (fractional): 1 K 0.46597388709986 0.26103268766550 0.16368817684018 39.098 2 K 0.96780556791456 0.73303531727824 0.38390586958502 39.098 3 K 0.03219443208544 0.26696468272176 0.61609413041498 39.098 4 K 0.53402611290014 0.76103268766550 0.33631182315982 39.098 5 K 0.53402611290014 0.73896731233450 0.83631182315982 39.098 6 K 0.03219443208544 0.23303531727824 0.11609413041498 39.098 7 K 0.96780556791456 0.76696468272176 0.88390586958502 39.098 8 K 0.46597388709986 0.23896731233450 0.66368817684018 39.098 9 Sr 0.73636261966672 0.72625271828680 0.13208093050926 87.620 10 Sr 0.73636261966672 0.77374728171320 0.63208093050926 87.620 11 Sr 0.26363738033328 0.22625271828680 0.36791906949074 87.620 12 Sr 0.26363738033328 0.27374728171320 0.86791906949074 87.620 13 P 0.69311287977643 0.19960846791657 0.96577208826272 30.974 14 P 0.81882243873509 0.26887980061748 0.80431844405634 30.974 15 P 0.69311287977643 0.30039153208343 0.46577208826272 30.974 16 P 0.18117756126491 0.76887980061748 0.69568155594366 30.974 17 P 0.81882243873509 0.23112019938252 0.30431844405634 30.974 18 P 0.30688712022357 0.69960846791657 0.53422791173728 30.974 19 P 0.18117756126491 0.73112019938252 0.19568155594366 30.974 20 P 0.30688712022357 0.80039153208343 0.03422791173728 30.974 21 O 0.73295438106574 0.48258622772609 0.75578797993199 15.999 22 O 0.26704561893426 0.98258622772609 0.74421202006801 15.999 23 O 0.26392486999701 0.44269271047728 0.51340947456936 15.999 24 O 0.98693230185019 0.27085870986579 0.80838396434905 15.999 25 O 0.01306769814981 0.72914129013421 0.19161603565095 15.999 26 O 0.73607513000299 0.55730728952272 0.48659052543064 15.999 27 O 0.73984010741831 0.03786576959993 0.77057368306896 15.999 28 O 0.28071898954483 0.84399357450731 0.44443683201752 15.999 29 O 0.01306769814981 0.77085870986579 0.69161603565095 15.999 30 O 0.26704561893426 0.51741377227391 0.24421202006800 15.999 31 O 0.26015989258169 0.96213423040007 0.22942631693104 15.999 32 O 0.71928101045517 0.15600642549269 0.55556316798247 15.999 33 O 0.46058750341473 0.76392223362876 0.10461964122173 15.999 34 O 0.26015989258169 0.53786576959993 0.72942631693104 15.999 35 O 0.26392486999701 0.05730728952272 0.01340947456936 15.999 36 O 0.71928101045517 0.34399357450731 0.05556316798248 15.999 37 O 0.28071898954483 0.65600642549269 0.94443683201753 15.999 38 O 0.53941249658527 0.26392223362876 0.39538035877827 15.999 39 O 0.73984010741831 0.46213423040007 0.27057368306896 15.999 40 O 0.73607513000299 0.94269271047728 0.98659052543064 15.999 41 O 0.98693230185019 0.22914129013421 0.30838396434905 15.999 42 O 0.53941249658527 0.23607776637124 0.89538035877827 15.999 43 O 0.73295438106574 0.01741377227391 0.25578797993199 15.999 44 O 0.82253809810688 0.30056390115278 0.91649002925204 15.999 45 O 0.46058750341473 0.73607776637124 0.60461964122173 15.999 46 O 0.17746190189312 0.69943609884722 0.08350997074796 15.999 47 O 0.17746190189312 0.80056390115278 0.58350997074796 15.999 48 O 0.82253809810688 0.19943609884722 0.41649002925204 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.154166904262953 0.000000000000000 0.000000000000000 b 0.000000000000000 11.472947899999998 0.000000000000000 c -3.905319475785924 0.000000000000000 14.207063640492965 Atomic positions (fractional): 1 K 0.46597388709986 0.13051634383275 0.16368817684018 39.098 > 1 2 K 0.46597388709986 0.63051634383275 0.16368817684018 39.098 > 1 3 K 0.96780556791456 0.36651765863912 0.38390586958502 39.098 > 3 4 K 0.96780556791456 0.86651765863912 0.38390586958502 39.098 > 3 5 K 0.03219443208544 0.13348234136088 0.61609413041498 39.098 > 5 6 K 0.03219443208544 0.63348234136088 0.61609413041498 39.098 > 5 7 K 0.53402611290014 0.38051634383275 0.33631182315982 39.098 > 7 8 K 0.53402611290014 0.88051634383275 0.33631182315982 39.098 > 7 9 K 0.53402611290014 0.36948365616725 0.83631182315982 39.098 > 9 10 K 0.53402611290014 0.86948365616725 0.83631182315982 39.098 > 9 11 K 0.03219443208544 0.11651765863912 0.11609413041498 39.098 > 11 12 K 0.03219443208544 0.61651765863912 0.11609413041498 39.098 > 11 13 K 0.96780556791456 0.38348234136088 0.88390586958502 39.098 > 13 14 K 0.96780556791456 0.88348234136088 0.88390586958502 39.098 > 13 15 K 0.46597388709986 0.11948365616725 0.66368817684018 39.098 > 15 16 K 0.46597388709986 0.61948365616725 0.66368817684018 39.098 > 15 17 Sr 0.73636261966672 0.36312635914340 0.13208093050926 87.620 > 17 18 Sr 0.73636261966672 0.86312635914340 0.13208093050926 87.620 > 17 19 Sr 0.73636261966672 0.38687364085660 0.63208093050926 87.620 > 19 20 Sr 0.73636261966672 0.88687364085660 0.63208093050926 87.620 > 19 21 Sr 0.26363738033328 0.11312635914340 0.36791906949074 87.620 > 21 22 Sr 0.26363738033328 0.61312635914340 0.36791906949074 87.620 > 21 23 Sr 0.26363738033328 0.13687364085660 0.86791906949074 87.620 > 23 24 Sr 0.26363738033328 0.63687364085660 0.86791906949074 87.620 > 23 25 P 0.69311287977643 0.09980423395829 0.96577208826272 30.974 > 25 26 P 0.69311287977643 0.59980423395829 0.96577208826272 30.974 > 25 27 P 0.81882243873509 0.13443990030874 0.80431844405634 30.974 > 27 28 P 0.81882243873509 0.63443990030874 0.80431844405634 30.974 > 27 29 P 0.69311287977643 0.15019576604171 0.46577208826272 30.974 > 29 30 P 0.69311287977643 0.65019576604171 0.46577208826272 30.974 > 29 31 P 0.18117756126491 0.38443990030874 0.69568155594366 30.974 > 31 32 P 0.18117756126491 0.88443990030874 0.69568155594366 30.974 > 31 33 P 0.81882243873509 0.11556009969126 0.30431844405634 30.974 > 33 34 P 0.81882243873509 0.61556009969126 0.30431844405634 30.974 > 33 35 P 0.30688712022357 0.34980423395829 0.53422791173728 30.974 > 35 36 P 0.30688712022357 0.84980423395829 0.53422791173728 30.974 > 35 37 P 0.18117756126491 0.36556009969126 0.19568155594366 30.974 > 37 38 P 0.18117756126491 0.86556009969126 0.19568155594366 30.974 > 37 39 P 0.30688712022357 0.40019576604171 0.03422791173728 30.974 > 39 40 P 0.30688712022357 0.90019576604171 0.03422791173728 30.974 > 39 41 O 0.73295438106574 0.24129311386305 0.75578797993199 15.999 > 41 42 O 0.73295438106574 0.74129311386305 0.75578797993199 15.999 > 41 43 O 0.26704561893426 0.49129311386305 0.74421202006801 15.999 > 43 44 O 0.26704561893426 0.99129311386305 0.74421202006801 15.999 > 43 45 O 0.26392486999701 0.22134635523864 0.51340947456936 15.999 > 45 46 O 0.26392486999701 0.72134635523864 0.51340947456936 15.999 > 45 47 O 0.98693230185019 0.13542935493289 0.80838396434905 15.999 > 47 48 O 0.98693230185019 0.63542935493289 0.80838396434905 15.999 > 47 49 O 0.01306769814981 0.36457064506711 0.19161603565095 15.999 > 49 50 O 0.01306769814981 0.86457064506711 0.19161603565095 15.999 > 49 51 O 0.73607513000299 0.27865364476136 0.48659052543064 15.999 > 51 52 O 0.73607513000299 0.77865364476136 0.48659052543064 15.999 > 51 53 O 0.73984010741831 0.01893288479997 0.77057368306896 15.999 > 53 54 O 0.73984010741831 0.51893288479997 0.77057368306896 15.999 > 53 55 O 0.28071898954483 0.42199678725366 0.44443683201752 15.999 > 55 56 O 0.28071898954483 0.92199678725366 0.44443683201752 15.999 > 55 57 O 0.01306769814981 0.38542935493289 0.69161603565095 15.999 > 57 58 O 0.01306769814981 0.88542935493289 0.69161603565095 15.999 > 57 59 O 0.26704561893426 0.25870688613695 0.24421202006800 15.999 > 59 60 O 0.26704561893426 0.75870688613695 0.24421202006800 15.999 > 59 61 O 0.26015989258169 0.48106711520003 0.22942631693104 15.999 > 61 62 O 0.26015989258169 0.98106711520003 0.22942631693104 15.999 > 61 63 O 0.71928101045517 0.07800321274634 0.55556316798247 15.999 > 63 64 O 0.71928101045517 0.57800321274634 0.55556316798247 15.999 > 63 65 O 0.46058750341473 0.38196111681438 0.10461964122173 15.999 > 65 66 O 0.46058750341473 0.88196111681438 0.10461964122173 15.999 > 65 67 O 0.26015989258169 0.26893288479997 0.72942631693104 15.999 > 67 68 O 0.26015989258169 0.76893288479997 0.72942631693104 15.999 > 67 69 O 0.26392486999701 0.02865364476136 0.01340947456936 15.999 > 69 70 O 0.26392486999701 0.52865364476136 0.01340947456936 15.999 > 69 71 O 0.71928101045517 0.17199678725366 0.05556316798248 15.999 > 71 72 O 0.71928101045517 0.67199678725366 0.05556316798248 15.999 > 71 73 O 0.28071898954483 0.32800321274634 0.94443683201753 15.999 > 73 74 O 0.28071898954483 0.82800321274634 0.94443683201753 15.999 > 73 75 O 0.53941249658527 0.13196111681438 0.39538035877827 15.999 > 75 76 O 0.53941249658527 0.63196111681438 0.39538035877827 15.999 > 75 77 O 0.73984010741831 0.23106711520003 0.27057368306896 15.999 > 77 78 O 0.73984010741831 0.73106711520003 0.27057368306896 15.999 > 77 79 O 0.73607513000299 0.47134635523864 0.98659052543064 15.999 > 79 80 O 0.73607513000299 0.97134635523864 0.98659052543064 15.999 > 79 81 O 0.98693230185019 0.11457064506711 0.30838396434905 15.999 > 81 82 O 0.98693230185019 0.61457064506711 0.30838396434905 15.999 > 81 83 O 0.53941249658527 0.11803888318562 0.89538035877827 15.999 > 83 84 O 0.53941249658527 0.61803888318562 0.89538035877827 15.999 > 83 85 O 0.73295438106574 0.00870688613695 0.25578797993199 15.999 > 85 86 O 0.73295438106574 0.50870688613695 0.25578797993199 15.999 > 85 87 O 0.82253809810688 0.15028195057639 0.91649002925204 15.999 > 87 88 O 0.82253809810688 0.65028195057639 0.91649002925204 15.999 > 87 89 O 0.46058750341473 0.36803888318562 0.60461964122173 15.999 > 89 90 O 0.46058750341473 0.86803888318562 0.60461964122173 15.999 > 89 91 O 0.17746190189312 0.34971804942361 0.08350997074796 15.999 > 91 92 O 0.17746190189312 0.84971804942361 0.08350997074796 15.999 > 91 93 O 0.17746190189312 0.40028195057639 0.58350997074796 15.999 > 93 94 O 0.17746190189312 0.90028195057639 0.58350997074796 15.999 > 93 95 O 0.82253809810688 0.09971804942361 0.41649002925204 15.999 > 95 96 O 0.82253809810688 0.59971804942361 0.41649002925204 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5455937 0.0000000 0.0121579 0.0000000 2.5339048 0.0000000 0.0121552 0.0000000 2.5495721 -------------------------- Born effective charges -------------------------- 1 K 1.2541147 0.0158079 0.0650404 0.0248475 1.2246468 0.0655394 0.0405369 0.0401804 1.1521469 2 K 1.2007940 0.0292949 0.0338288 0.0613044 1.2063392 -0.0158949 0.0921169 0.0046228 1.1814553 3 K 1.2007940 0.0292949 0.0338288 0.0613044 1.2063392 -0.0158949 0.0921169 0.0046228 1.1814553 4 K 1.2541147 -0.0158079 0.0650404 -0.0248475 1.2246468 -0.0655394 0.0405369 -0.0401804 1.1521469 5 K 1.2541147 0.0158079 0.0650404 0.0248475 1.2246468 0.0655394 0.0405369 0.0401804 1.1521469 6 K 1.2007940 -0.0292949 0.0338288 -0.0613044 1.2063392 0.0158949 0.0921169 -0.0046228 1.1814553 7 K 1.2007940 -0.0292949 0.0338288 -0.0613044 1.2063392 0.0158949 0.0921169 -0.0046228 1.1814553 8 K 1.2541147 -0.0158079 0.0650404 -0.0248475 1.2246468 -0.0655394 0.0405369 -0.0401804 1.1521469 9 Sr 2.6098984 -0.0456973 0.2034853 -0.0045030 2.6498088 -0.1084161 0.0775389 0.0934335 2.6025353 10 Sr 2.6098984 0.0456973 0.2034853 0.0045030 2.6498088 0.1084161 0.0775389 -0.0934335 2.6025353 11 Sr 2.6098984 0.0456973 0.2034853 0.0045030 2.6498088 0.1084161 0.0775389 -0.0934335 2.6025353 12 Sr 2.6098984 -0.0456973 0.2034853 -0.0045030 2.6498088 -0.1084161 0.0775389 0.0934335 2.6025353 13 P 3.0890606 0.0232315 0.0932490 -0.1000889 3.0034328 0.1633873 -0.4004678 -0.2115050 3.4398799 14 P 3.2778058 -0.0443727 -0.5022963 0.0120770 3.1483473 -0.2605152 0.1025544 0.0129844 3.1900647 15 P 3.0890606 -0.0232315 0.0932490 0.1000889 3.0034328 -0.1633873 -0.4004678 0.2115050 3.4398799 16 P 3.2778058 0.0443727 -0.5022963 -0.0120770 3.1483473 0.2605152 0.1025544 -0.0129844 3.1900647 17 P 3.2778058 0.0443727 -0.5022963 -0.0120770 3.1483473 0.2605152 0.1025544 -0.0129844 3.1900647 18 P 3.0890606 -0.0232315 0.0932490 0.1000889 3.0034328 -0.1633873 -0.4004678 0.2115050 3.4398799 19 P 3.2778058 -0.0443727 -0.5022963 0.0120770 3.1483473 -0.2605152 0.1025544 0.0129844 3.1900647 20 P 3.0890606 0.0232315 0.0932490 -0.1000889 3.0034328 0.1633873 -0.4004678 -0.2115050 3.4398799 21 O -1.3197766 0.1911734 -0.0658967 0.2409725 -2.0147422 0.5536416 -0.1970789 0.5674084 -1.5438144 22 O -1.3197766 -0.1911734 -0.0658967 -0.2409725 -2.0147422 -0.5536416 -0.1970789 -0.5674084 -1.5438144 23 O -1.1542628 -0.0818186 -0.0369504 -0.1435026 -2.0973790 -0.3416268 0.0354942 -0.4375799 -1.5118727 24 O -2.5655535 -0.0102895 -0.1401809 -0.0054755 -1.1731729 0.0479274 -0.1244197 0.0053426 -1.1363119 25 O -2.5655535 -0.0102895 -0.1401809 -0.0054755 -1.1731729 0.0479274 -0.1244197 0.0053426 -1.1363119 26 O -1.1542628 -0.0818186 -0.0369504 -0.1435026 -2.0973790 -0.3416268 0.0354942 -0.4375799 -1.5118727 27 O -1.3044809 -0.1892798 -0.0228833 -0.2228093 -2.0106312 -0.3792524 -0.1397435 -0.4566026 -1.4968886 28 O -1.1192264 -0.0964949 0.0548170 -0.0862942 -1.7182232 0.6305679 0.0764521 0.7055191 -2.0021974 29 O -2.5655535 0.0102895 -0.1401809 0.0054755 -1.1731729 -0.0479274 -0.1244197 -0.0053426 -1.1363119 30 O -1.3197766 0.1911734 -0.0658967 0.2409725 -2.0147422 0.5536416 -0.1970789 0.5674084 -1.5438144 31 O -1.3044809 -0.1892798 -0.0228833 -0.2228093 -2.0106312 -0.3792524 -0.1397435 -0.4566026 -1.4968886 32 O -1.1192264 -0.0964949 0.0548170 -0.0862942 -1.7182232 0.6305679 0.0764521 0.7055191 -2.0021974 33 O -2.1273364 0.1588208 -0.5931112 0.1343467 -1.1592636 0.0774569 -0.4563754 0.1284197 -1.5017736 34 O -1.3044809 0.1892798 -0.0228833 0.2228093 -2.0106312 0.3792524 -0.1397435 0.4566026 -1.4968886 35 O -1.1542628 0.0818186 -0.0369504 0.1435026 -2.0973790 0.3416268 0.0354942 0.4375799 -1.5118727 36 O -1.1192264 0.0964949 0.0548170 0.0862942 -1.7182232 -0.6305679 0.0764521 -0.7055191 -2.0021974 37 O -1.1192264 0.0964949 0.0548170 0.0862942 -1.7182232 -0.6305679 0.0764521 -0.7055191 -2.0021974 38 O -2.1273364 -0.1588208 -0.5931112 -0.1343467 -1.1592636 -0.0774569 -0.4563754 -0.1284197 -1.5017736 39 O -1.3044809 0.1892798 -0.0228833 0.2228093 -2.0106312 0.3792524 -0.1397435 0.4566026 -1.4968886 40 O -1.1542628 0.0818186 -0.0369504 0.1435026 -2.0973790 0.3416268 0.0354942 0.4375799 -1.5118727 41 O -2.5655535 0.0102895 -0.1401809 0.0054755 -1.1731729 -0.0479274 -0.1244197 -0.0053426 -1.1363119 42 O -2.1273364 0.1588208 -0.5931112 0.1343467 -1.1592636 0.0774569 -0.4563754 0.1284197 -1.5017736 43 O -1.3197766 -0.1911734 -0.0658967 -0.2409725 -2.0147422 -0.5536416 -0.1970789 -0.5674084 -1.5438144 44 O -1.8410369 -0.2699754 0.9108984 -0.2905914 -1.0591628 0.1737264 0.8933920 0.1495454 -2.3732237 45 O -2.1273364 -0.1588208 -0.5931112 -0.1343467 -1.1592636 -0.0774569 -0.4563754 -0.1284197 -1.5017736 46 O -1.8410369 -0.2699754 0.9108984 -0.2905914 -1.0591628 0.1737264 0.8933920 0.1495454 -2.3732237 47 O -1.8410369 0.2699754 0.9108984 0.2905914 -1.0591628 -0.1737264 0.8933920 -0.1495454 -2.3732237 48 O -1.8410369 0.2699754 0.9108984 0.2905914 -1.0591628 -0.1737264 0.8933920 -0.1495454 -2.3732237 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 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: 0.46, Number of G-points: 309, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 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 1.365 ( 0.000 0.000 0.000) 0.000 1.518 ( 0.000 0.000 0.000) 0.000 1.677 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.958 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.266 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.698 ( 0.000 0.000 0.000) 0.000 2.751 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.966 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.285 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.344 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.579 ( 0.000 0.000 0.000) 0.000 3.667 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 4.017 ( 0.000 0.000 0.000) 0.000 4.030 ( 0.000 0.000 0.000) 0.000 4.230 ( 0.000 0.000 0.000) 0.000 4.311 ( 0.000 0.000 0.000) 0.000 4.330 ( 0.000 0.000 0.000) 0.000 4.361 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.702 ( 0.000 0.000 0.000) 0.000 4.851 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.400 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.549 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.669 ( 0.000 0.000 0.000) 0.000 5.677 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.103 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.188 ( 0.000 0.000 0.000) 0.000 6.249 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.986 ( 0.000 0.000 0.000) 0.000 8.980 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.243 ( 0.000 0.000 0.000) 0.000 9.360 ( 0.000 0.000 0.000) 0.000 9.452 ( 0.000 0.000 0.000) 0.000 9.475 ( 0.000 0.000 0.000) 0.000 9.492 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.272 ( 0.000 0.000 0.000) 0.000 10.341 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 11.729 ( 0.000 0.000 0.000) 0.000 11.793 ( 0.000 0.000 0.000) 0.000 11.877 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.340 ( 0.000 0.000 0.000) 0.000 13.390 ( 0.000 0.000 0.000) 0.000 13.408 ( 0.000 0.000 0.000) 0.000 14.519 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 14.658 ( 0.000 0.000 0.000) 0.000 14.710 ( 0.000 0.000 0.000) 0.000 14.788 ( 0.000 0.000 0.000) 0.000 15.011 ( 0.000 0.000 0.000) 0.000 15.037 ( 0.000 0.000 0.000) 0.000 15.082 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.294 ( 0.000 0.000 0.000) 0.000 15.525 ( 0.000 0.000 0.000) 0.000 16.035 ( 0.000 0.000 0.000) 0.000 16.127 ( 0.000 0.000 0.000) 0.000 16.181 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 16.300 ( 0.000 0.000 0.000) 0.000 17.534 ( 0.000 0.000 0.000) 0.000 17.597 ( 0.000 0.000 0.000) 0.000 17.674 ( 0.000 0.000 0.000) 0.000 17.710 ( 0.000 0.000 0.000) 0.000 20.677 ( 0.000 0.000 0.000) 0.000 20.705 ( 0.000 0.000 0.000) 0.000 21.015 ( 0.000 0.000 0.000) 0.000 21.071 ( 0.000 0.000 0.000) 0.000 25.092 ( 0.000 0.000 0.000) 0.000 25.172 ( 0.000 0.000 0.000) 0.000 25.776 ( 0.000 0.000 0.000) 0.000 26.005 ( 0.000 0.000 0.000) 0.000 28.339 ( 0.000 0.000 0.000) 0.000 28.367 ( 0.000 0.000 0.000) 0.000 28.400 ( 0.000 0.000 0.000) 0.000 28.434 ( 0.000 0.000 0.000) 0.000 29.642 ( 0.000 0.000 0.000) 0.000 29.653 ( 0.000 0.000 0.000) 0.000 29.776 ( 0.000 0.000 0.000) 0.000 29.818 ( 0.000 0.000 0.000) 0.000 31.925 ( 0.000 0.000 0.000) 0.000 31.934 ( 0.000 0.000 0.000) 0.000 31.944 ( 0.000 0.000 0.000) 0.000 32.004 ( 0.000 0.000 0.000) 0.000 32.316 ( 0.000 0.000 0.000) 0.000 32.327 ( 0.000 0.000 0.000) 0.000 32.336 ( 0.000 0.000 0.000) 0.000 32.342 ( 0.000 0.000 0.000) 0.000 32.611 ( 0.000 0.000 0.000) 0.000 32.754 ( 0.000 0.000 0.000) 0.000 32.818 ( 0.000 0.000 0.000) 0.000 33.086 ( 0.000 0.000 0.000) 0.000 33.393 ( 0.000 0.000 0.000) 0.000 33.511 ( 0.000 0.000 0.000) 0.000 34.016 ( 0.000 0.000 0.000) 0.000 34.526 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 11.621 0.000 17.147) 20.714 0.492 ( 23.146 0.000 8.495) 24.655 0.953 ( 38.456 0.000 17.811) 42.380 1.266 ( -15.510 0.000 -20.907) 26.032 1.379 ( 3.022 0.000 2.704) 4.055 1.669 ( 0.595 0.000 -3.703) 3.751 1.707 ( -11.024 0.000 2.967) 11.416 1.875 ( -2.314 0.000 -8.578) 8.885 1.898 ( -2.361 0.000 1.168) 2.634 2.135 ( 7.246 0.000 -6.958) 10.046 2.162 ( -2.852 0.000 -7.404) 7.935 2.244 ( 2.060 0.000 -2.306) 3.092 2.289 ( -2.954 0.000 -2.736) 4.027 2.316 ( 1.230 0.000 14.194) 14.247 2.478 ( 0.340 0.000 7.455) 7.463 2.506 ( -2.898 0.000 1.523) 3.273 2.571 ( 3.182 0.000 -9.774) 10.279 2.635 ( 3.335 0.000 -6.174) 7.017 2.652 ( 1.753 0.000 -8.225) 8.410 2.727 ( -0.725 0.000 0.692) 1.002 2.755 ( -6.624 0.000 3.731) 7.602 2.834 ( 0.939 0.000 -0.061) 0.940 2.874 ( 0.348 0.000 2.646) 2.669 2.907 ( 2.857 0.000 0.664) 2.933 2.985 ( 3.342 0.000 1.081) 3.513 3.096 ( -2.753 0.000 3.588) 4.522 3.152 ( 0.947 0.000 -2.811) 2.966 3.158 ( 2.150 0.000 1.561) 2.656 3.255 ( -7.943 0.000 -6.779) 10.443 3.281 ( 6.059 0.000 2.887) 6.712 3.305 ( -2.798 0.000 -3.820) 4.735 3.311 ( 2.086 0.000 -0.709) 2.203 3.427 ( 6.768 0.000 2.761) 7.309 3.439 ( -1.443 0.000 -2.163) 2.600 3.515 ( -2.034 0.000 2.588) 3.291 3.518 ( -4.377 0.000 -0.089) 4.378 3.711 ( -1.629 0.000 -2.678) 3.134 3.712 ( 3.978 0.000 1.513) 4.256 3.784 ( -2.083 0.000 -1.805) 2.756 3.918 ( -1.605 0.000 4.805) 5.066 3.941 ( -3.077 0.000 -2.171) 3.766 4.023 ( -0.167 0.000 -0.775) 0.792 4.173 ( 12.332 0.000 -0.010) 12.332 4.272 ( -6.276 0.000 0.589) 6.303 4.282 ( -3.052 0.000 -8.347) 8.887 4.314 ( -2.224 0.000 -1.503) 2.685 4.408 ( 7.358 0.000 12.090) 14.153 4.530 ( 0.832 0.000 1.382) 1.613 4.633 ( 3.455 0.000 4.456) 5.639 4.637 ( 0.853 0.000 1.566) 1.783 4.729 ( -1.411 0.000 -1.047) 1.757 4.760 ( -7.083 0.000 -6.879) 9.874 4.841 ( -5.871 0.000 -0.333) 5.880 4.874 ( 1.707 0.000 1.115) 2.039 4.955 ( -3.142 0.000 3.203) 4.487 5.014 ( 2.994 0.000 -2.017) 3.610 5.257 ( -0.522 0.000 3.164) 3.207 5.374 ( -2.894 0.000 0.974) 3.054 5.458 ( -7.192 0.000 -0.463) 7.207 5.470 ( 1.429 0.000 -1.855) 2.342 5.630 ( -2.145 0.000 -1.497) 2.616 5.692 ( -3.411 0.000 -0.786) 3.501 5.723 ( 3.014 0.000 2.820) 4.127 6.054 ( -4.690 0.000 0.325) 4.701 6.111 ( 8.004 0.000 -0.879) 8.052 6.163 ( -1.464 0.000 -3.435) 3.734 6.186 ( 3.249 0.000 -9.012) 9.579 6.258 ( 2.763 0.000 -0.466) 2.802 6.618 ( -6.086 0.000 4.297) 7.450 6.700 ( 6.577 0.000 -1.489) 6.744 7.055 ( 5.788 0.000 -3.246) 6.636 7.491 ( -20.429 0.000 38.194) 43.314 9.014 ( 1.987 0.000 1.380) 2.419 9.108 ( -3.350 0.000 -2.654) 4.274 9.237 ( -0.176 0.000 -1.712) 1.721 9.267 ( -0.499 0.000 2.002) 2.064 9.407 ( 5.281 0.000 3.649) 6.419 9.475 ( 0.120 0.000 -1.197) 1.203 9.480 ( 3.242 0.000 -2.664) 4.197 9.502 ( 0.760 0.000 -0.761) 1.076 10.139 ( 2.684 0.000 -1.242) 2.957 10.265 ( -0.529 0.000 -0.090) 0.536 10.332 ( -0.863 0.000 -0.514) 1.004 10.418 ( -1.585 0.000 1.325) 2.066 11.735 ( 0.828 0.000 -0.413) 0.925 11.798 ( 0.594 0.000 -0.339) 0.684 11.894 ( -1.342 0.000 1.370) 1.918 11.910 ( -1.833 0.000 0.448) 1.887 13.333 ( -0.263 0.000 -1.462) 1.486 13.382 ( -2.255 0.000 5.763) 6.189 13.391 ( -0.247 0.000 1.218) 1.242 13.421 ( 0.350 0.000 2.187) 2.215 14.532 ( 1.486 0.000 -0.770) 1.674 14.584 ( -1.161 0.000 0.584) 1.300 14.696 ( -1.684 0.000 0.877) 1.898 14.699 ( 1.640 0.000 -3.167) 3.567 14.948 ( 12.992 0.000 -40.066) 42.120 14.996 ( -2.478 0.000 0.247) 2.491 15.036 ( 2.055 0.000 1.482) 2.534 15.143 ( 4.332 0.000 -0.430) 4.353 15.193 ( 1.386 0.000 -7.259) 7.390 15.286 ( -0.669 0.000 -0.377) 0.768 15.487 ( -3.714 0.000 0.171) 3.718 15.983 ( -5.139 0.000 4.221) 6.650 16.204 ( 1.116 0.000 0.469) 1.210 16.220 ( 1.403 0.000 -6.797) 6.941 16.276 ( 0.312 0.000 -0.547) 0.629 16.297 ( -0.445 0.000 0.654) 0.791 17.517 ( -1.485 0.000 -0.232) 1.503 17.609 ( -0.308 0.000 1.114) 1.156 17.666 ( -0.748 0.000 -0.333) 0.819 17.718 ( 0.402 0.000 0.547) 0.678 20.744 ( 4.133 0.000 -0.864) 4.223 20.816 ( -0.357 0.000 9.490) 9.497 21.007 ( -0.972 0.000 0.339) 1.030 21.071 ( -0.376 0.000 1.056) 1.121 25.184 ( 0.033 0.000 4.822) 4.822 25.360 ( 16.818 0.000 -64.577) 66.731 25.479 ( -15.189 0.000 -3.898) 15.681 26.402 ( 20.191 0.000 18.824) 27.604 28.325 ( -1.180 0.000 -0.263) 1.209 28.374 ( 0.363 0.000 -1.622) 1.663 28.378 ( -1.539 0.000 -0.045) 1.539 28.469 ( 2.428 0.000 1.971) 3.128 29.638 ( -0.327 0.000 0.045) 0.330 29.680 ( -0.361 0.000 1.583) 1.624 29.797 ( 1.855 0.000 -0.085) 1.857 29.838 ( 1.974 0.000 -0.023) 1.974 31.920 ( -0.366 0.000 -0.524) 0.639 31.940 ( -0.234 0.000 0.488) 0.542 32.015 ( 1.190 0.000 -0.794) 1.431 32.024 ( 1.775 0.000 -4.038) 4.411 32.306 ( -0.735 0.000 0.209) 0.764 32.339 ( 0.425 0.000 -0.263) 0.499 32.354 ( 0.937 0.000 0.002) 0.937 32.367 ( -0.223 0.000 0.202) 0.301 32.651 ( 3.958 0.000 1.256) 4.153 32.752 ( 0.692 0.000 -3.185) 3.260 33.086 ( -0.740 0.000 1.246) 1.449 33.322 ( -14.485 0.000 -8.495) 16.792 33.328 ( -6.751 0.000 0.616) 6.779 34.055 ( 4.428 0.000 2.256) 4.970 34.605 ( 7.323 0.000 -2.805) 7.842 34.695 ( -16.262 0.000 43.154) 46.116 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 12.494 0.000 14.920) 19.461 0.812 ( 7.215 0.000 -4.731) 8.628 1.110 ( 11.748 0.000 -0.514) 11.759 1.136 ( -7.594 0.000 -8.063) 11.076 1.515 ( -9.692 0.000 1.111) 9.755 1.552 ( -2.008 0.000 6.454) 6.759 1.732 ( 5.101 0.000 -6.735) 8.449 1.785 ( -8.471 0.000 -4.335) 9.516 2.033 ( 16.697 0.000 2.752) 16.922 2.090 ( -2.738 0.000 -5.950) 6.550 2.227 ( -2.009 0.000 1.710) 2.638 2.231 ( -3.467 0.000 -1.826) 3.918 2.291 ( 15.713 0.000 6.541) 17.020 2.451 ( 7.851 0.000 6.528) 10.210 2.474 ( -6.715 0.000 2.243) 7.080 2.493 ( -1.108 0.000 6.427) 6.522 2.503 ( -0.971 0.000 -6.327) 6.401 2.613 ( 0.744 0.000 -2.610) 2.714 2.684 ( -2.176 0.000 1.698) 2.760 2.686 ( 1.147 0.000 -1.439) 1.840 2.718 ( 1.388 0.000 4.431) 4.643 2.819 ( -1.283 0.000 -0.729) 1.475 2.843 ( 0.898 0.000 1.457) 1.711 2.998 ( -7.071 0.000 -10.123) 12.348 3.043 ( 0.104 0.000 3.759) 3.760 3.081 ( -0.801 0.000 0.802) 1.134 3.084 ( 8.905 0.000 0.591) 8.924 3.129 ( -1.812 0.000 -5.169) 5.478 3.208 ( 3.003 0.000 0.119) 3.005 3.279 ( 0.387 0.000 0.182) 0.428 3.315 ( 2.547 0.000 0.205) 2.555 3.364 ( 0.459 0.000 -1.363) 1.438 3.438 ( -1.301 0.000 2.445) 2.769 3.491 ( 0.104 0.000 0.665) 0.673 3.517 ( 1.781 0.000 1.525) 2.345 3.596 ( 6.604 0.000 -0.208) 6.607 3.668 ( -1.411 0.000 -1.967) 2.421 3.761 ( -1.097 0.000 -0.997) 1.482 3.776 ( -0.325 0.000 3.422) 3.437 3.782 ( -8.542 0.000 -6.198) 10.554 3.950 ( 1.138 0.000 5.255) 5.376 4.038 ( -15.534 0.000 -7.745) 17.358 4.095 ( -0.749 0.000 0.353) 0.829 4.116 ( -6.924 0.000 1.489) 7.083 4.268 ( -1.893 0.000 1.052) 2.166 4.323 ( -10.032 0.000 -5.636) 11.507 4.408 ( 11.913 0.000 -4.998) 12.919 4.579 ( 3.315 0.000 4.210) 5.358 4.660 ( -1.527 0.000 6.302) 6.484 4.663 ( 0.463 0.000 2.963) 2.999 4.736 ( -4.079 0.000 -1.642) 4.397 4.764 ( 4.336 0.000 3.721) 5.714 4.792 ( 5.687 0.000 -4.763) 7.418 4.854 ( -3.676 0.000 -0.024) 3.676 4.973 ( 3.050 0.000 5.592) 6.369 5.069 ( 3.778 0.000 -3.187) 4.943 5.243 ( -2.260 0.000 2.763) 3.569 5.334 ( -0.849 0.000 -0.543) 1.008 5.359 ( -3.619 0.000 0.541) 3.659 5.458 ( -4.092 0.000 -0.934) 4.197 5.540 ( -2.483 0.000 -3.025) 3.914 5.677 ( 1.102 0.000 -0.648) 1.278 5.795 ( 3.091 0.000 1.355) 3.375 5.974 ( -4.224 0.000 2.366) 4.842 6.116 ( -0.934 0.000 -5.287) 5.369 6.165 ( 0.028 0.000 -6.271) 6.271 6.184 ( 1.195 0.000 -1.017) 1.569 6.352 ( 0.597 0.000 4.387) 4.428 6.610 ( 8.514 0.000 0.756) 8.547 6.842 ( 8.516 0.000 -1.533) 8.653 7.094 ( -0.378 0.000 -2.629) 2.656 7.244 ( -20.577 0.000 15.595) 25.819 9.052 ( -1.674 0.000 -1.164) 2.039 9.074 ( 3.252 0.000 2.103) 3.873 9.216 ( -0.996 0.000 -2.603) 2.787 9.249 ( -1.249 0.000 0.646) 1.406 9.476 ( 0.301 0.000 -0.415) 0.513 9.504 ( 0.032 0.000 -0.954) 0.954 9.509 ( 2.548 0.000 -1.225) 2.828 9.557 ( 5.999 0.000 2.338) 6.438 10.190 ( 3.153 0.000 -1.512) 3.497 10.259 ( -0.086 0.000 0.445) 0.453 10.307 ( -1.317 0.000 -0.913) 1.602 10.389 ( -2.060 0.000 1.107) 2.339 11.753 ( 1.250 0.000 -0.518) 1.353 11.810 ( 0.801 0.000 -0.469) 0.929 11.872 ( -2.199 0.000 0.537) 2.264 11.873 ( -1.355 0.000 0.798) 1.572 13.320 ( -0.307 0.000 -1.345) 1.380 13.372 ( -0.831 0.000 1.701) 1.893 13.392 ( -0.249 0.000 1.053) 1.082 13.436 ( 0.397 0.000 0.891) 0.976 14.561 ( 2.146 0.000 -1.202) 2.459 14.566 ( -0.975 0.000 0.440) 1.070 14.663 ( -2.321 0.000 1.333) 2.676 14.714 ( 1.002 0.000 -1.097) 1.486 14.962 ( -1.337 0.000 0.139) 1.344 14.994 ( 7.577 0.000 -17.548) 19.114 15.078 ( 0.415 0.000 3.140) 3.167 15.179 ( -0.768 0.000 0.739) 1.066 15.202 ( 2.090 0.000 -0.794) 2.235 15.273 ( -0.037 0.000 -1.574) 1.575 15.424 ( -2.635 0.000 1.082) 2.849 15.926 ( -2.982 0.000 3.232) 4.397 16.211 ( 0.215 0.000 -2.078) 2.089 16.212 ( -0.295 0.000 0.365) 0.469 16.278 ( 0.135 0.000 -0.363) 0.388 16.291 ( -0.511 0.000 0.700) 0.866 17.490 ( -1.171 0.000 -0.179) 1.185 17.611 ( -0.108 0.000 1.447) 1.451 17.646 ( -0.946 0.000 -0.762) 1.215 17.720 ( -0.379 0.000 0.345) 0.513 20.825 ( 4.537 0.000 -0.859) 4.618 20.869 ( 2.379 0.000 3.148) 3.946 20.982 ( -1.941 0.000 0.246) 1.957 21.064 ( -0.995 0.000 1.119) 1.497 25.216 ( -0.292 0.000 7.971) 7.977 25.265 ( -7.146 0.000 -0.858) 7.198 25.337 ( 6.174 0.000 -27.825) 28.501 26.769 ( 9.511 0.000 14.874) 17.655 28.302 ( -1.006 0.000 -0.151) 1.017 28.353 ( -1.038 0.000 0.032) 1.038 28.371 ( -0.134 0.000 -0.484) 0.502 28.528 ( 2.269 0.000 2.982) 3.747 29.634 ( -0.191 0.000 0.117) 0.224 29.682 ( 0.018 0.000 0.680) 0.680 29.824 ( 1.025 0.000 -0.464) 1.125 29.876 ( 1.819 0.000 0.032) 1.819 31.911 ( -0.290 0.000 -0.378) 0.476 31.951 ( 0.876 0.000 1.146) 1.443 32.032 ( 0.915 0.000 -0.682) 1.142 32.036 ( 0.794 0.000 -0.962) 1.247 32.298 ( -0.296 0.000 0.453) 0.541 32.347 ( 0.556 0.000 -0.433) 0.705 32.363 ( -0.389 0.000 0.365) 0.533 32.366 ( 0.189 0.000 -0.108) 0.218 32.755 ( 1.850 0.000 -3.350) 3.827 32.760 ( 6.660 0.000 1.897) 6.925 32.974 ( -10.580 0.000 -7.373) 12.896 33.127 ( -1.202 0.000 -1.149) 1.662 33.180 ( -8.821 0.000 -0.413) 8.831 34.166 ( 7.626 0.000 -4.178) 8.695 34.592 ( -11.294 0.000 18.129) 21.359 34.705 ( 4.463 0.000 -2.317) 5.028 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.000 0.000 -0.000) 0.000 0.886 ( 0.000 0.000 0.000) 0.000 0.909 ( 0.000 0.000 0.000) 0.000 1.302 ( 0.000 0.000 -0.000) 0.000 1.439 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 -0.000) 0.000 1.646 ( 0.000 0.000 -0.000) 0.000 1.756 ( 0.000 0.000 -0.000) 0.000 1.995 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 -0.000) 0.000 2.210 ( 0.000 0.000 -0.000) 0.000 2.405 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 -0.000) 0.000 2.481 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.636 ( 0.000 0.000 -0.000) 0.000 2.646 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.794 ( 0.000 0.000 0.000) 0.000 2.804 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 -0.000) 0.000 2.987 ( 0.000 0.000 -0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.074 ( 0.000 0.000 -0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.243 ( 0.000 0.000 -0.000) 0.000 3.265 ( -0.000 0.000 -0.000) 0.000 3.310 ( 0.000 0.000 -0.000) 0.000 3.364 ( 0.000 0.000 -0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.492 ( 0.000 0.000 0.000) 0.000 3.597 ( -0.000 0.000 -0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.650 ( 0.000 0.000 -0.000) 0.000 3.678 ( 0.000 0.000 -0.000) 0.000 3.708 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.798 ( 0.000 0.000 -0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 4.108 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 -0.000) 0.000 4.201 ( 0.000 0.000 0.000) 0.000 4.249 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 4.618 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 -0.000) 0.000 4.675 ( 0.000 0.000 -0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.803 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 -0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 -0.000) 0.000 5.225 ( -0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.373 ( 0.000 0.000 0.000) 0.000 5.513 ( -0.000 0.000 -0.000) 0.000 5.693 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.824 ( 0.000 0.000 -0.000) 0.000 6.943 ( -0.000 0.000 -0.000) 0.000 6.985 ( -0.000 0.000 0.000) 0.000 7.054 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.124 ( 0.000 0.000 -0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.239 ( 0.000 0.000 0.000) 0.000 9.479 ( 0.000 0.000 -0.000) 0.000 9.500 ( 0.000 0.000 0.000) 0.000 9.527 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 0.000) 0.000 10.219 ( 0.000 0.000 0.000) 0.000 10.264 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.368 ( 0.000 0.000 -0.000) 0.000 11.766 ( 0.000 0.000 0.000) 0.000 11.818 ( 0.000 0.000 -0.000) 0.000 11.850 ( 0.000 0.000 -0.000) 0.000 11.860 ( 0.000 0.000 0.000) 0.000 13.313 ( 0.000 0.000 0.000) 0.000 13.369 ( 0.000 0.000 -0.000) 0.000 13.393 ( 0.000 0.000 0.000) 0.000 13.442 ( 0.000 0.000 0.000) 0.000 14.557 ( 0.000 0.000 0.000) 0.000 14.584 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 -0.000) 0.000 14.721 ( 0.000 0.000 0.000) 0.000 14.950 ( 0.000 0.000 0.000) 0.000 15.029 ( -0.000 0.000 0.000) 0.000 15.078 ( 0.000 0.000 -0.000) 0.000 15.178 ( 0.000 0.000 0.000) 0.000 15.215 ( 0.000 0.000 -0.000) 0.000 15.269 ( 0.000 0.000 -0.000) 0.000 15.407 ( 0.000 0.000 0.000) 0.000 15.907 ( 0.000 0.000 0.000) 0.000 16.208 ( 0.000 0.000 0.000) 0.000 16.208 ( 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 17.478 ( 0.000 0.000 0.000) 0.000 17.618 ( 0.000 0.000 -0.000) 0.000 17.631 ( 0.000 0.000 0.000) 0.000 17.716 ( 0.000 0.000 0.000) 0.000 20.871 ( 0.000 0.000 0.000) 0.000 20.915 ( 0.000 0.000 0.000) 0.000 20.951 ( 0.000 0.000 -0.000) 0.000 21.055 ( 0.000 0.000 0.000) 0.000 25.199 ( 0.000 0.000 0.000) 0.000 25.239 ( 0.000 0.000 -0.000) 0.000 25.319 ( 0.000 0.000 0.000) 0.000 26.890 ( 0.000 0.000 -0.000) 0.000 28.292 ( 0.000 0.000 0.000) 0.000 28.344 ( 0.000 0.000 -0.000) 0.000 28.368 ( 0.000 0.000 -0.000) 0.000 28.560 ( 0.000 0.000 0.000) 0.000 29.632 ( 0.000 0.000 0.000) 0.000 29.685 ( 0.000 0.000 -0.000) 0.000 29.831 ( 0.000 0.000 0.000) 0.000 29.894 ( 0.000 0.000 -0.000) 0.000 31.907 ( 0.000 0.000 -0.000) 0.000 31.967 ( 0.000 0.000 -0.000) 0.000 32.039 ( 0.000 0.000 0.000) 0.000 32.041 ( 0.000 0.000 0.000) 0.000 32.298 ( 0.000 0.000 0.000) 0.000 32.353 ( 0.000 0.000 -0.000) 0.000 32.358 ( 0.000 0.000 0.000) 0.000 32.364 ( 0.000 0.000 0.000) 0.000 32.805 ( 0.000 0.000 0.000) 0.000 32.806 ( -0.000 0.000 -0.000) 0.000 32.858 ( 0.000 0.000 0.000) 0.000 33.064 ( 0.000 0.000 -0.000) 0.000 33.121 ( 0.000 0.000 0.000) 0.000 34.244 ( 0.000 0.000 -0.000) 0.000 34.515 ( 0.000 0.000 -0.000) 0.000 34.740 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 0.000 24.227 0.000) 24.227 0.608 ( 0.000 29.791 0.000) 29.791 0.870 ( 0.000 39.725 0.000) 39.725 1.467 ( 0.000 10.599 0.000) 10.599 1.552 ( 0.000 3.234 0.000) 3.234 1.743 ( 0.000 4.004 0.000) 4.004 1.811 ( 0.000 -10.641 0.000) 10.641 1.831 ( 0.000 1.491 0.000) 1.491 1.949 ( 0.000 -1.190 0.000) 1.190 2.024 ( 0.000 2.017 0.000) 2.017 2.138 ( 0.000 1.370 0.000) 1.370 2.153 ( 0.000 -6.088 0.000) 6.088 2.304 ( 0.000 -1.128 0.000) 1.128 2.362 ( 0.000 -3.925 0.000) 3.925 2.415 ( 0.000 1.141 0.000) 1.141 2.494 ( 0.000 -3.950 0.000) 3.950 2.532 ( 0.000 -1.317 0.000) 1.317 2.572 ( 0.000 -0.219 0.000) 0.219 2.665 ( 0.000 6.379 0.000) 6.379 2.702 ( 0.000 1.538 0.000) 1.538 2.840 ( 0.000 4.577 0.000) 4.577 2.924 ( 0.000 5.740 0.000) 5.740 2.942 ( 0.000 7.131 0.000) 7.131 2.958 ( 0.000 3.145 0.000) 3.145 3.051 ( 0.000 -1.537 0.000) 1.537 3.072 ( 0.000 0.582 0.000) 0.582 3.144 ( 0.000 -0.117 0.000) 0.117 3.168 ( 0.000 0.592 0.000) 0.592 3.241 ( 0.000 6.154 0.000) 6.154 3.277 ( 0.000 0.854 0.000) 0.854 3.299 ( 0.000 -2.923 0.000) 2.923 3.375 ( 0.000 2.974 0.000) 2.974 3.480 ( 0.000 -1.471 0.000) 1.471 3.527 ( 0.000 -1.437 0.000) 1.437 3.573 ( 0.000 -0.502 0.000) 0.502 3.600 ( 0.000 3.954 0.000) 3.954 3.718 ( 0.000 -0.412 0.000) 0.412 3.788 ( 0.000 4.017 0.000) 4.017 3.884 ( 0.000 0.048 0.000) 0.048 3.932 ( 0.000 0.591 0.000) 0.591 3.946 ( 0.000 -4.025 0.000) 4.025 3.976 ( 0.000 -2.979 0.000) 2.979 4.005 ( 0.000 -1.574 0.000) 1.574 4.227 ( 0.000 0.727 0.000) 0.727 4.284 ( 0.000 -0.057 0.000) 0.057 4.320 ( 0.000 -0.941 0.000) 0.941 4.475 ( 0.000 4.388 0.000) 4.388 4.533 ( 0.000 5.441 0.000) 5.441 4.572 ( 0.000 -1.561 0.000) 1.561 4.613 ( 0.000 -2.724 0.000) 2.724 4.706 ( 0.000 4.138 0.000) 4.138 4.888 ( 0.000 0.812 0.000) 0.812 4.918 ( 0.000 -0.270 0.000) 0.270 4.924 ( 0.000 2.455 0.000) 2.455 4.999 ( 0.000 -0.552 0.000) 0.552 5.027 ( 0.000 5.442 0.000) 5.442 5.294 ( 0.000 5.742 0.000) 5.742 5.407 ( 0.000 -2.147 0.000) 2.147 5.539 ( 0.000 -2.092 0.000) 2.092 5.671 ( 0.000 0.301 0.000) 0.301 5.691 ( 0.000 3.867 0.000) 3.867 5.699 ( 0.000 2.375 0.000) 2.375 5.700 ( 0.000 1.739 0.000) 1.739 6.010 ( 0.000 -10.424 0.000) 10.424 6.077 ( 0.000 -2.405 0.000) 2.405 6.151 ( 0.000 2.539 0.000) 2.539 6.237 ( 0.000 -0.407 0.000) 0.407 6.262 ( 0.000 3.183 0.000) 3.183 6.601 ( 0.000 -7.034 0.000) 7.034 6.609 ( 0.000 -4.003 0.000) 4.003 6.931 ( 0.000 -5.778 0.000) 5.778 7.227 ( 0.000 -3.832 0.000) 3.832 8.976 ( 0.000 -0.449 0.000) 0.449 9.165 ( 0.000 -2.279 0.000) 2.279 9.208 ( 0.000 -1.791 0.000) 1.791 9.213 ( 0.000 -2.291 0.000) 2.291 9.376 ( 0.000 0.417 0.000) 0.417 9.412 ( 0.000 -2.500 0.000) 2.500 9.499 ( 0.000 1.266 0.000) 1.266 9.514 ( 0.000 1.810 0.000) 1.810 10.131 ( 0.000 0.958 0.000) 0.958 10.294 ( 0.000 2.070 0.000) 2.070 10.301 ( 0.000 -2.707 0.000) 2.707 10.445 ( 0.000 2.896 0.000) 2.896 11.794 ( 0.000 0.043 0.000) 0.043 11.862 ( 0.000 -1.209 0.000) 1.209 11.872 ( 0.000 1.536 0.000) 1.536 11.945 ( 0.000 1.536 0.000) 1.536 13.275 ( 0.000 0.289 0.000) 0.289 13.352 ( 0.000 -1.523 0.000) 1.523 13.385 ( 0.000 -0.445 0.000) 0.445 13.416 ( 0.000 0.360 0.000) 0.360 14.532 ( 0.000 0.986 0.000) 0.986 14.600 ( 0.000 0.754 0.000) 0.754 14.636 ( 0.000 -1.717 0.000) 1.717 14.721 ( 0.000 0.791 0.000) 0.791 14.794 ( 0.000 0.567 0.000) 0.567 15.022 ( 0.000 1.106 0.000) 1.106 15.056 ( 0.000 1.474 0.000) 1.474 15.083 ( 0.000 0.123 0.000) 0.123 15.154 ( 0.000 -1.323 0.000) 1.323 15.281 ( 0.000 -1.365 0.000) 1.365 15.602 ( 0.000 -2.693 0.000) 2.693 15.914 ( 0.000 -8.181 0.000) 8.181 16.217 ( 0.000 5.111 0.000) 5.111 16.293 ( 0.000 1.357 0.000) 1.357 16.308 ( 0.000 0.804 0.000) 0.804 16.321 ( 0.000 1.094 0.000) 1.094 17.533 ( 0.000 0.003 0.000) 0.003 17.599 ( 0.000 0.184 0.000) 0.184 17.666 ( 0.000 -0.840 0.000) 0.840 17.702 ( 0.000 -0.893 0.000) 0.893 20.687 ( 0.000 1.026 0.000) 1.026 20.770 ( 0.000 0.519 0.000) 0.519 21.007 ( 0.000 -0.898 0.000) 0.898 21.048 ( 0.000 -2.178 0.000) 2.178 25.083 ( 0.000 -0.892 0.000) 0.892 25.153 ( 0.000 -1.810 0.000) 1.810 25.701 ( 0.000 -7.245 0.000) 7.245 25.945 ( 0.000 -10.638 0.000) 10.638 28.341 ( 0.000 0.216 0.000) 0.216 28.370 ( 0.000 0.293 0.000) 0.293 28.387 ( 0.000 -1.447 0.000) 1.447 28.420 ( 0.000 -1.342 0.000) 1.342 29.646 ( 0.000 -0.466 0.000) 0.466 29.682 ( 0.000 -0.256 0.000) 0.256 29.777 ( 0.000 0.006 0.000) 0.006 29.825 ( 0.000 0.595 0.000) 0.595 31.930 ( 0.000 0.915 0.000) 0.915 31.997 ( 0.000 4.417 0.000) 4.417 32.022 ( 0.000 2.735 0.000) 2.735 32.063 ( 0.000 5.547 0.000) 5.547 32.336 ( 0.000 2.163 0.000) 2.163 32.399 ( 0.000 4.391 0.000) 4.391 32.401 ( 0.000 6.095 0.000) 6.095 32.612 ( 0.000 0.123 0.000) 0.123 32.799 ( 0.000 3.142 0.000) 3.142 32.849 ( 0.000 4.266 0.000) 4.266 33.068 ( 0.000 -1.156 0.000) 1.156 33.351 ( 0.000 -4.184 0.000) 4.184 33.511 ( 0.000 0.267 0.000) 0.267 34.010 ( 0.000 -0.371 0.000) 0.371 34.278 ( 0.000 -3.171 0.000) 3.171 34.620 ( 0.000 -4.029 0.000) 4.029 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 5.987 23.347 0.494) 24.107 0.758 ( 18.083 16.699 5.320) 25.182 1.257 ( 22.896 25.086 16.615) 37.810 1.301 ( -13.630 4.926 -19.609) 24.384 1.459 ( -0.661 8.124 2.004) 8.394 1.699 ( -8.426 -0.602 1.103) 8.519 1.708 ( -1.053 1.675 -2.002) 2.815 1.831 ( -0.612 -1.852 -3.557) 4.057 1.925 ( 0.710 1.767 4.277) 4.682 2.043 ( 1.297 -2.966 -4.888) 5.862 2.146 ( -0.062 -1.107 -1.252) 1.672 2.175 ( 0.678 -6.677 1.579) 6.895 2.306 ( 3.643 6.763 -1.507) 7.828 2.355 ( -2.759 -1.303 4.404) 5.358 2.453 ( 0.659 -3.007 -3.686) 4.803 2.490 ( 1.640 -0.580 3.159) 3.607 2.560 ( 1.573 -0.090 -0.206) 1.589 2.622 ( 3.297 -0.913 -0.499) 3.457 2.690 ( 0.648 1.418 1.707) 2.312 2.726 ( -5.414 2.243 -7.821) 9.773 2.776 ( 3.127 -0.548 0.765) 3.266 2.822 ( -4.653 3.985 1.602) 6.332 2.863 ( -7.135 -0.350 -1.140) 7.234 3.004 ( 2.866 5.025 -3.200) 6.611 3.050 ( 1.390 4.494 3.944) 6.139 3.123 ( 0.862 2.351 4.531) 5.177 3.160 ( 0.913 0.678 -2.498) 2.745 3.179 ( -4.514 0.712 -1.666) 4.864 3.236 ( -1.167 -0.245 -3.426) 3.628 3.287 ( -1.147 -1.703 -0.997) 2.283 3.295 ( 0.348 0.480 0.957) 1.125 3.341 ( 0.622 2.348 -2.135) 3.233 3.470 ( 3.583 0.667 5.046) 6.224 3.529 ( -3.005 4.744 1.279) 5.759 3.549 ( 1.101 2.789 2.426) 3.857 3.568 ( -1.204 5.596 -1.789) 5.997 3.688 ( -1.408 -1.832 0.794) 2.443 3.748 ( -1.982 3.095 -3.760) 5.258 3.780 ( -2.502 0.052 -2.084) 3.257 3.914 ( -2.163 1.160 -3.123) 3.973 3.948 ( 1.527 -4.386 -1.702) 4.946 4.006 ( 3.923 2.394 3.048) 5.515 4.160 ( 7.651 -0.634 1.228) 7.775 4.239 ( -5.052 0.321 -3.079) 5.925 4.276 ( -0.980 0.300 1.624) 1.920 4.379 ( 3.452 -1.086 8.010) 8.790 4.417 ( -1.581 2.355 -3.907) 4.828 4.565 ( 2.254 4.001 1.512) 4.834 4.608 ( 4.598 -3.316 -0.099) 5.670 4.671 ( -3.294 2.915 -2.097) 4.872 4.674 ( 2.259 -1.715 1.817) 3.368 4.789 ( -7.792 3.009 -3.431) 9.030 4.857 ( -4.785 1.471 0.503) 5.031 4.888 ( -2.676 -0.047 -0.011) 2.677 4.991 ( 1.148 0.161 -0.902) 1.469 5.055 ( 0.157 4.707 4.607) 6.588 5.217 ( -3.261 2.514 -2.085) 4.615 5.383 ( -1.920 -1.810 -1.097) 2.857 5.500 ( -4.642 3.569 1.187) 5.975 5.537 ( -7.747 2.955 1.930) 8.513 5.659 ( -1.830 1.830 0.729) 2.689 5.676 ( -3.608 -0.940 -0.614) 3.779 5.750 ( 3.418 1.608 0.159) 3.780 5.991 ( -0.316 -9.364 -0.235) 9.373 6.070 ( -2.501 0.945 0.383) 2.701 6.158 ( 4.181 0.515 -8.970) 9.910 6.245 ( -0.417 1.447 2.190) 2.657 6.307 ( 5.888 5.088 -3.050) 8.358 6.545 ( -5.673 -7.017 4.911) 10.273 6.666 ( 6.688 -3.562 -1.893) 7.810 6.999 ( 5.640 -5.762 -2.461) 8.430 7.349 ( -4.190 -9.485 17.628) 20.452 9.004 ( 2.302 -0.805 1.024) 2.645 9.099 ( -3.081 -1.023 -2.353) 4.010 9.208 ( -0.189 -2.070 -1.252) 2.427 9.269 ( 1.222 -1.011 2.330) 2.818 9.380 ( 2.719 -1.586 3.111) 4.426 9.445 ( 2.307 -1.759 -2.110) 3.587 9.501 ( 0.789 0.941 -1.636) 2.046 9.528 ( 1.526 1.846 -0.548) 2.457 10.147 ( 2.070 0.567 -0.513) 2.207 10.285 ( -0.835 1.694 0.010) 1.889 10.308 ( 0.817 -1.664 -2.866) 3.413 10.442 ( -1.150 2.366 1.940) 3.269 11.774 ( -3.696 1.545 0.934) 4.113 11.797 ( 0.569 0.156 -1.250) 1.383 11.897 ( 0.198 0.823 0.091) 0.852 11.933 ( -1.795 1.808 1.111) 2.779 13.305 ( 1.105 -2.125 1.441) 2.795 13.343 ( -0.629 -1.224 -0.043) 1.377 13.382 ( -0.562 -1.158 0.509) 1.384 13.429 ( 0.506 0.215 1.777) 1.860 14.541 ( 1.516 0.806 -1.302) 2.155 14.588 ( -1.130 0.700 0.780) 1.541 14.683 ( 2.282 -1.454 -3.065) 4.088 14.723 ( -1.082 1.868 2.406) 3.232 14.853 ( 10.500 -4.631 -15.453) 19.248 15.005 ( -1.204 0.642 -0.649) 1.511 15.021 ( -0.953 0.729 0.345) 1.248 15.146 ( 4.460 0.168 -1.526) 4.717 15.168 ( 1.708 -1.458 -3.015) 3.760 15.265 ( -1.900 -1.513 1.813) 3.031 15.517 ( -6.083 -0.288 -0.573) 6.117 15.939 ( -0.376 -6.456 2.314) 6.868 16.167 ( -1.856 2.714 -0.003) 3.288 16.254 ( -1.899 0.989 0.094) 2.143 16.298 ( -0.049 2.227 0.288) 2.246 16.357 ( 0.272 2.219 -1.980) 2.986 17.519 ( -1.212 0.252 -0.352) 1.287 17.602 ( -0.234 -0.319 1.404) 1.458 17.659 ( -0.592 -0.724 -0.608) 1.115 17.706 ( 0.134 -1.165 0.417) 1.244 20.708 ( 2.794 -1.368 0.549) 3.159 20.824 ( 2.905 0.524 3.190) 4.347 20.991 ( -1.434 -1.696 0.180) 2.228 21.059 ( 0.259 -1.296 1.251) 1.820 25.162 ( 0.878 -2.314 1.924) 3.135 25.210 ( 13.491 -7.279 -24.893) 29.234 25.443 ( -13.642 -3.868 -3.614) 14.634 26.267 ( 17.544 -14.125 13.682) 26.353 28.328 ( -1.132 0.303 -0.090) 1.176 28.368 ( -1.347 -0.884 0.009) 1.611 28.376 ( 0.283 0.122 -0.662) 0.730 28.442 ( 1.582 -2.410 1.028) 3.061 29.657 ( -1.216 0.804 -0.730) 1.630 29.659 ( 0.744 -0.758 1.092) 1.523 29.801 ( 1.626 -0.198 0.226) 1.654 29.847 ( 1.988 0.472 -0.159) 2.050 31.890 ( -2.013 0.792 0.484) 2.216 31.979 ( -3.196 2.122 -0.343) 3.851 32.062 ( 4.172 5.146 1.336) 6.758 32.091 ( 2.462 5.049 -1.153) 5.734 32.343 ( 0.687 1.781 0.659) 2.020 32.387 ( -0.054 4.820 -1.613) 5.083 32.422 ( 0.891 6.459 1.933) 6.800 32.550 ( -6.299 8.019 -6.246) 11.958 32.695 ( 0.578 4.867 0.612) 4.939 32.819 ( -0.104 6.364 -3.365) 7.200 33.069 ( -0.951 -1.601 1.222) 2.227 33.290 ( -6.428 -3.789 0.763) 7.500 33.331 ( -13.964 1.275 -7.880) 16.085 34.052 ( 4.856 -0.067 -0.366) 4.871 34.436 ( 6.459 -10.130 7.986) 14.426 34.661 ( -2.325 -4.314 13.359) 14.230 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 5.379 11.976 -0.454) 13.136 1.002 ( 3.741 13.892 -1.733) 14.491 1.192 ( 11.091 6.124 0.664) 12.686 1.334 ( -2.639 18.402 -0.463) 18.596 1.520 ( -4.128 -3.999 6.135) 8.406 1.550 ( -5.549 4.725 -0.756) 7.327 1.715 ( 0.460 -1.402 -8.287) 8.417 1.886 ( -6.293 8.119 -1.495) 10.380 2.035 ( 5.269 -1.849 0.530) 5.609 2.067 ( 6.838 -1.770 4.376) 8.309 2.143 ( -1.695 -1.363 -5.938) 6.324 2.223 ( 6.072 -6.359 4.129) 9.714 2.287 ( -2.898 1.151 0.606) 3.176 2.412 ( 2.714 1.833 3.652) 4.905 2.463 ( 2.220 -1.107 -2.090) 3.244 2.489 ( 2.618 2.524 1.502) 3.934 2.559 ( -3.616 0.379 1.531) 3.945 2.600 ( -0.291 -2.077 -1.601) 2.638 2.664 ( 3.243 -3.187 -1.428) 4.766 2.700 ( -0.251 5.066 4.498) 6.779 2.782 ( 1.638 4.236 1.785) 4.880 2.802 ( 1.833 2.416 -0.240) 3.042 2.872 ( 2.908 0.838 3.020) 4.275 2.957 ( -5.873 -1.069 -7.066) 9.250 3.022 ( -1.485 -1.775 0.238) 2.326 3.110 ( 1.075 2.192 -2.207) 3.291 3.135 ( -1.497 2.282 -1.299) 3.023 3.176 ( 1.155 3.737 3.189) 5.047 3.267 ( 5.392 1.982 0.405) 5.759 3.286 ( 0.202 0.218 -1.141) 1.179 3.309 ( 0.358 0.054 -0.495) 0.613 3.366 ( 2.183 0.716 -0.600) 2.374 3.454 ( -1.952 2.930 4.012) 5.338 3.518 ( -1.915 0.356 -2.036) 2.818 3.555 ( 1.600 4.017 2.314) 4.904 3.612 ( -1.455 1.887 -2.018) 3.123 3.689 ( 2.564 -3.511 0.063) 4.348 3.704 ( -0.256 3.410 -2.114) 4.020 3.789 ( -3.801 1.742 1.087) 4.320 3.841 ( -1.921 1.929 -2.157) 3.474 4.019 ( 4.123 2.550 3.480) 5.967 4.030 ( -11.961 4.587 -5.323) 13.872 4.082 ( 0.731 -0.125 2.721) 2.820 4.141 ( -11.355 3.108 -1.998) 11.941 4.292 ( -6.081 0.623 -6.288) 8.769 4.308 ( 2.750 0.050 1.444) 3.106 4.430 ( -0.213 -1.804 0.922) 2.037 4.565 ( 4.752 1.521 0.140) 4.991 4.649 ( 1.024 -0.738 2.260) 2.588 4.692 ( -0.338 2.068 3.869) 4.399 4.724 ( 3.838 -4.210 -5.411) 7.857 4.754 ( 1.002 1.196 2.292) 2.773 4.803 ( -0.586 2.253 0.725) 2.438 4.833 ( -2.817 -1.072 1.308) 3.286 5.036 ( 2.341 3.304 3.688) 5.477 5.083 ( 2.206 0.590 -0.439) 2.325 5.163 ( -1.668 -1.624 -2.702) 3.566 5.349 ( -0.832 0.499 0.089) 0.974 5.422 ( -3.869 3.291 0.210) 5.084 5.457 ( -3.030 -1.582 2.654) 4.328 5.519 ( -7.211 0.393 -2.182) 7.544 5.709 ( 3.216 1.215 0.619) 3.493 5.809 ( 1.976 1.272 0.180) 2.356 5.972 ( -0.719 -8.724 -3.040) 9.266 6.029 ( -1.609 4.035 0.697) 4.399 6.143 ( -1.800 -1.863 -5.907) 6.450 6.250 ( 0.649 2.403 -0.970) 2.672 6.347 ( -3.729 -2.079 3.988) 5.842 6.597 ( 11.949 0.035 1.248) 12.015 6.804 ( 8.195 -3.782 -1.558) 9.159 7.045 ( 0.118 -5.051 -2.111) 5.476 7.213 ( -15.819 -2.971 9.961) 18.929 9.047 ( -1.323 -0.510 -0.509) 1.507 9.062 ( 2.630 -1.059 1.063) 3.028 9.193 ( -0.677 -1.704 -1.596) 2.431 9.268 ( -0.896 0.860 0.381) 1.299 9.464 ( 1.760 -1.747 -0.435) 2.517 9.483 ( 3.320 -1.242 1.972) 4.056 9.511 ( 0.832 -0.046 -0.894) 1.222 9.558 ( 2.523 0.352 -1.192) 2.813 10.193 ( 2.922 -0.093 -0.615) 2.987 10.269 ( -0.912 0.559 -0.140) 1.078 10.301 ( 0.021 0.429 -2.034) 2.079 10.422 ( -1.863 2.847 1.702) 3.805 11.739 ( -1.059 -0.939 0.716) 1.586 11.808 ( 1.433 -0.367 -1.791) 2.323 11.894 ( -1.774 2.255 1.592) 3.281 11.900 ( -0.821 2.214 -0.077) 2.362 13.316 ( 0.157 -0.541 -1.216) 1.340 13.339 ( -0.192 -2.276 1.864) 2.948 13.371 ( -0.707 -1.790 0.036) 1.925 13.444 ( 0.235 0.133 1.080) 1.114 14.569 ( 1.318 0.444 -1.427) 1.993 14.573 ( 0.134 1.178 0.041) 1.186 14.678 ( -2.101 0.433 2.120) 3.016 14.717 ( 0.231 1.399 -0.520) 1.510 14.960 ( 7.200 -2.534 -12.154) 14.352 14.982 ( 0.915 0.662 -3.056) 3.258 15.033 ( -0.153 -2.156 5.030) 5.474 15.170 ( 0.281 -0.928 -1.728) 1.981 15.201 ( 0.282 -0.786 0.038) 0.836 15.257 ( 1.546 -0.842 0.422) 1.810 15.418 ( -4.649 -0.959 1.038) 4.859 15.920 ( -2.143 -1.912 2.644) 3.904 16.171 ( 1.570 -1.329 -0.891) 2.242 16.224 ( -1.523 0.487 0.435) 1.657 16.296 ( -0.238 2.185 0.426) 2.239 16.333 ( -1.533 2.308 -0.769) 2.875 17.495 ( -1.022 0.586 -0.259) 1.206 17.604 ( -0.248 -0.587 1.669) 1.786 17.641 ( -0.713 -0.479 -1.040) 1.349 17.705 ( -0.448 -1.463 0.315) 1.562 20.781 ( 4.432 -2.881 0.039) 5.287 20.881 ( 1.312 -0.061 1.677) 2.130 20.964 ( -1.063 -1.381 -0.145) 1.749 21.062 ( -0.586 -0.413 1.183) 1.384 25.191 ( -0.020 -2.473 5.690) 6.204 25.243 ( -4.674 -2.351 -3.239) 6.153 25.282 ( 4.540 -4.380 -16.505) 17.670 26.585 ( 9.051 -17.987 11.513) 23.195 28.307 ( -0.958 0.452 -0.088) 1.063 28.346 ( -0.976 -0.711 0.039) 1.208 28.374 ( -0.110 0.301 -0.351) 0.475 28.478 ( 1.408 -4.230 1.498) 4.703 29.641 ( -0.325 0.588 -0.354) 0.759 29.675 ( 0.406 -0.282 0.756) 0.903 29.830 ( 1.393 0.250 -0.172) 1.426 29.879 ( 1.342 0.027 -0.037) 1.343 31.873 ( -0.315 -0.761 0.425) 0.927 31.924 ( -2.254 0.422 -0.776) 2.421 32.114 ( 1.530 6.425 -0.605) 6.632 32.154 ( 3.482 5.156 2.003) 6.536 32.365 ( 1.022 2.089 0.679) 2.423 32.386 ( 1.057 6.544 -1.398) 6.775 32.449 ( -0.075 9.387 4.121) 10.252 32.455 ( -2.006 8.493 -1.284) 8.820 32.770 ( 4.962 1.473 0.716) 5.226 32.803 ( 0.988 4.308 -3.028) 5.358 32.970 ( -10.101 -0.340 -6.705) 12.129 33.119 ( -2.353 -0.335 -2.332) 3.330 33.150 ( -8.226 -2.868 -0.439) 8.722 34.160 ( 7.405 -0.281 -4.048) 8.444 34.507 ( -3.728 -7.226 10.072) 12.944 34.667 ( 0.030 -4.067 2.344) 4.695 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 2.558 0.000) 2.558 1.063 ( 0.000 13.671 -0.000) 13.671 1.195 ( 0.000 15.814 0.000) 15.814 1.426 ( 0.000 6.866 0.000) 6.866 1.508 ( 0.000 0.052 0.000) 0.052 1.556 ( 0.000 10.204 -0.000) 10.204 1.647 ( 0.000 2.814 -0.000) 2.814 1.771 ( 0.000 1.179 -0.000) 1.179 2.050 ( 0.000 -7.273 0.000) 7.273 2.060 ( 0.000 6.758 -0.000) 6.758 2.137 ( 0.000 -1.233 0.000) 1.233 2.262 ( 0.000 0.630 -0.000) 0.630 2.267 ( 0.000 -10.409 0.000) 10.409 2.408 ( 0.000 -1.245 -0.000) 1.245 2.424 ( 0.000 0.134 0.000) 0.134 2.539 ( 0.000 -7.826 0.000) 7.826 2.551 ( 0.000 0.172 -0.000) 0.172 2.646 ( 0.000 0.896 -0.000) 0.896 2.710 ( 0.000 -1.520 0.000) 1.520 2.768 ( 0.000 2.811 0.000) 2.811 2.795 ( 0.000 7.752 0.000) 7.752 2.891 ( 0.000 0.300 -0.000) 0.300 2.939 ( 0.000 3.499 0.000) 3.499 2.975 ( 0.000 -2.132 -0.000) 2.132 2.991 ( 0.000 2.178 0.000) 2.178 3.099 ( 0.000 6.326 -0.000) 6.326 3.147 ( 0.000 0.565 0.000) 0.565 3.215 ( 0.000 2.136 0.000) 2.136 3.264 ( 0.000 -0.210 -0.000) 0.210 3.279 ( -0.000 -1.271 0.000) 1.271 3.336 ( 0.000 5.687 -0.000) 5.687 3.383 ( 0.000 2.124 0.000) 2.124 3.463 ( 0.000 5.082 0.000) 5.082 3.474 ( 0.000 -4.829 -0.000) 4.829 3.584 ( 0.000 0.997 0.000) 0.997 3.590 ( -0.000 -5.808 -0.000) 5.808 3.637 ( -0.000 3.554 -0.000) 3.554 3.657 ( 0.000 1.780 0.000) 1.780 3.726 ( 0.000 5.669 -0.000) 5.669 3.818 ( 0.000 4.172 0.000) 4.172 3.889 ( 0.000 4.170 -0.000) 4.170 3.945 ( 0.000 3.541 0.000) 3.541 4.114 ( 0.000 0.469 -0.000) 0.469 4.116 ( -0.000 3.368 0.000) 3.368 4.200 ( 0.000 0.690 -0.000) 0.690 4.355 ( 0.000 4.077 0.000) 4.077 4.453 ( 0.000 -5.296 0.000) 5.296 4.644 ( -0.000 0.703 0.000) 0.703 4.649 ( 0.000 0.787 -0.000) 0.787 4.665 ( -0.000 0.909 0.000) 0.909 4.721 ( 0.000 -1.756 -0.000) 1.756 4.788 ( 0.000 1.095 0.000) 1.095 4.808 ( 0.000 -0.165 0.000) 0.165 4.827 ( 0.000 -2.208 -0.000) 2.208 5.067 ( 0.000 2.672 -0.000) 2.672 5.111 ( 0.000 1.070 -0.000) 1.070 5.146 ( 0.000 -4.209 0.000) 4.209 5.348 ( 0.000 1.609 0.000) 1.609 5.404 ( 0.000 4.784 -0.000) 4.784 5.409 ( 0.000 0.340 0.000) 0.340 5.441 ( 0.000 -5.531 -0.000) 5.531 5.767 ( 0.000 6.203 0.000) 6.203 5.807 ( 0.000 -0.868 -0.000) 0.868 5.953 ( 0.000 -9.670 0.000) 9.670 6.023 ( 0.000 6.006 0.000) 6.006 6.091 ( 0.000 -4.513 0.000) 4.513 6.255 ( 0.000 2.387 0.000) 2.387 6.315 ( 0.000 -3.313 0.000) 3.313 6.813 ( 0.000 -0.361 -0.000) 0.361 6.907 ( 0.000 -3.778 -0.000) 3.778 6.969 ( -0.000 -2.706 0.000) 2.706 7.034 ( 0.000 -1.140 0.000) 1.140 9.032 ( 0.000 -0.162 0.000) 0.162 9.100 ( 0.000 -1.996 -0.000) 1.996 9.176 ( 0.000 -1.157 -0.000) 1.157 9.259 ( 0.000 1.311 0.000) 1.311 9.475 ( 0.000 -0.365 0.000) 0.365 9.513 ( 0.000 -0.889 -0.000) 0.889 9.519 ( 0.000 1.367 0.000) 1.367 9.592 ( 0.000 -3.252 0.000) 3.252 10.229 ( 0.000 0.278 0.000) 0.278 10.251 ( 0.000 -1.147 -0.000) 1.147 10.296 ( 0.000 1.670 0.000) 1.670 10.405 ( 0.000 3.307 -0.000) 3.307 11.732 ( 0.000 -1.939 -0.000) 1.939 11.823 ( 0.000 -1.384 0.000) 1.384 11.869 ( 0.000 3.651 -0.000) 3.651 11.898 ( 0.000 2.430 0.000) 2.430 13.312 ( 0.000 0.009 0.000) 0.009 13.345 ( 0.000 -2.162 0.000) 2.162 13.362 ( 0.000 -2.368 -0.000) 2.368 13.448 ( 0.000 0.066 0.000) 0.066 14.564 ( 0.000 0.869 0.000) 0.869 14.593 ( 0.000 0.873 0.000) 0.873 14.657 ( 0.000 1.105 -0.000) 1.105 14.719 ( 0.000 0.662 0.000) 0.662 14.966 ( 0.000 1.435 0.000) 1.435 15.023 ( -0.000 -0.460 0.000) 0.460 15.040 ( 0.000 -3.265 -0.000) 3.265 15.167 ( 0.000 -0.776 0.000) 0.776 15.192 ( 0.000 -2.590 -0.000) 2.590 15.288 ( 0.000 2.127 -0.000) 2.127 15.371 ( 0.000 -3.359 0.000) 3.359 15.906 ( 0.000 -0.963 0.000) 0.963 16.191 ( 0.000 -1.523 0.000) 1.523 16.206 ( 0.000 -0.013 -0.000) 0.013 16.297 ( 0.000 1.691 -0.000) 1.691 16.311 ( -0.000 2.291 -0.000) 2.291 17.485 ( 0.000 0.701 0.000) 0.701 17.608 ( 0.000 -0.867 -0.000) 0.867 17.630 ( 0.000 -0.164 0.000) 0.164 17.700 ( 0.000 -1.523 0.000) 1.523 20.843 ( 0.000 -2.258 0.000) 2.258 20.874 ( 0.000 -3.546 0.000) 3.546 20.962 ( 0.000 0.802 -0.000) 0.802 21.057 ( 0.000 -0.070 0.000) 0.070 25.186 ( 0.000 -1.312 -0.000) 1.312 25.209 ( 0.000 -2.816 -0.000) 2.816 25.284 ( 0.000 -3.325 0.000) 3.325 26.695 ( 0.000 -18.999 -0.000) 18.999 28.297 ( 0.000 0.512 0.000) 0.512 28.336 ( 0.000 -0.651 -0.000) 0.651 28.372 ( 0.000 0.346 -0.000) 0.346 28.496 ( 0.000 -5.234 0.000) 5.234 29.637 ( 0.000 0.553 0.000) 0.553 29.681 ( 0.000 -0.134 -0.000) 0.134 29.843 ( 0.000 0.831 0.000) 0.831 29.891 ( 0.000 -0.440 -0.000) 0.440 31.875 ( 0.000 -1.206 -0.000) 1.206 31.898 ( 0.000 -0.637 0.000) 0.637 32.127 ( 0.000 6.624 0.000) 6.624 32.196 ( 0.000 4.501 -0.000) 4.501 32.374 ( 0.000 2.005 0.000) 2.005 32.413 ( 0.000 14.443 -0.000) 14.443 32.420 ( -0.000 5.253 0.000) 5.253 32.466 ( 0.000 9.891 0.000) 9.891 32.806 ( 0.000 0.229 0.000) 0.229 32.815 ( -0.000 1.068 -0.000) 1.068 32.865 ( 0.000 0.619 0.000) 0.619 33.040 ( 0.000 -2.299 -0.000) 2.299 33.105 ( 0.000 -1.352 0.000) 1.352 34.235 ( 0.000 -0.478 -0.000) 0.478 34.473 ( 0.000 -4.241 -0.000) 4.241 34.679 ( 0.000 -5.647 0.000) 5.647 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 20.515 0.000) 20.515 1.126 ( 0.000 23.031 0.000) 23.031 1.371 ( 0.000 11.881 0.000) 11.881 1.545 ( 0.000 -6.346 0.000) 6.346 1.685 ( 0.000 3.948 0.000) 3.948 1.751 ( 0.000 9.505 0.000) 9.505 1.756 ( 0.000 1.835 0.000) 1.835 1.910 ( 0.000 1.350 0.000) 1.350 1.934 ( 0.000 -0.139 0.000) 0.139 2.071 ( 0.000 2.523 0.000) 2.523 2.144 ( 0.000 13.762 0.000) 13.762 2.198 ( 0.000 -0.745 0.000) 0.745 2.257 ( 0.000 1.112 0.000) 1.112 2.389 ( 0.000 5.311 0.000) 5.311 2.417 ( 0.000 -1.388 0.000) 1.388 2.490 ( 0.000 -1.895 0.000) 1.895 2.514 ( 0.000 5.665 0.000) 5.665 2.561 ( 0.000 -1.446 0.000) 1.446 2.723 ( 0.000 0.391 0.000) 0.391 2.763 ( 0.000 4.705 0.000) 4.705 2.835 ( 0.000 -4.400 0.000) 4.400 2.927 ( 0.000 -3.085 0.000) 3.085 3.016 ( 0.000 4.142 0.000) 4.142 3.037 ( 0.000 -6.167 0.000) 6.167 3.102 ( 0.000 1.514 0.000) 1.514 3.123 ( 0.000 0.216 0.000) 0.216 3.138 ( 0.000 7.412 0.000) 7.412 3.200 ( 0.000 2.693 0.000) 2.693 3.265 ( 0.000 -0.656 0.000) 0.656 3.310 ( 0.000 0.418 0.000) 0.418 3.321 ( 0.000 2.609 0.000) 2.609 3.387 ( 0.000 -1.425 0.000) 1.425 3.490 ( 0.000 -3.217 0.000) 3.217 3.493 ( 0.000 4.251 0.000) 4.251 3.551 ( 0.000 -5.084 0.000) 5.084 3.574 ( 0.000 1.184 0.000) 1.184 3.756 ( 0.000 3.388 0.000) 3.388 3.892 ( 0.000 2.198 0.000) 2.198 3.902 ( 0.000 2.464 0.000) 2.464 3.903 ( 0.000 2.685 0.000) 2.685 3.940 ( 0.000 0.372 0.000) 0.372 3.998 ( 0.000 5.973 0.000) 5.973 4.014 ( 0.000 2.579 0.000) 2.579 4.248 ( 0.000 -2.975 0.000) 2.975 4.278 ( 0.000 2.135 0.000) 2.135 4.301 ( 0.000 1.122 0.000) 1.122 4.489 ( 0.000 -3.920 0.000) 3.920 4.531 ( 0.000 2.104 0.000) 2.104 4.641 ( 0.000 1.817 0.000) 1.817 4.679 ( 0.000 8.483 0.000) 8.483 4.769 ( 0.000 0.820 0.000) 0.820 4.888 ( 0.000 -1.307 0.000) 1.307 4.890 ( 0.000 -3.663 0.000) 3.663 4.965 ( 0.000 2.074 0.000) 2.074 4.988 ( 0.000 1.520 0.000) 1.520 5.121 ( 0.000 4.380 0.000) 4.380 5.428 ( 0.000 2.684 0.000) 2.684 5.441 ( 0.000 7.627 0.000) 7.627 5.520 ( 0.000 2.084 0.000) 2.084 5.669 ( 0.000 -0.337 0.000) 0.337 5.724 ( 0.000 0.340 0.000) 0.340 5.727 ( 0.000 0.483 0.000) 0.483 5.759 ( 0.000 2.397 0.000) 2.397 5.850 ( 0.000 -4.497 0.000) 4.497 5.986 ( 0.000 -6.029 0.000) 6.029 6.183 ( 0.000 -4.852 0.000) 4.852 6.191 ( 0.000 1.714 0.000) 1.714 6.363 ( 0.000 4.203 0.000) 4.203 6.432 ( 0.000 -9.365 0.000) 9.365 6.516 ( 0.000 -3.634 0.000) 3.634 6.758 ( 0.000 -11.407 0.000) 11.407 7.135 ( 0.000 -5.689 0.000) 5.689 8.963 ( 0.000 -0.771 0.000) 0.771 9.104 ( 0.000 -3.616 0.000) 3.616 9.173 ( 0.000 -1.410 0.000) 1.410 9.179 ( 0.000 -1.044 0.000) 1.044 9.373 ( 0.000 -1.354 0.000) 1.354 9.378 ( 0.000 -0.203 0.000) 0.203 9.517 ( 0.000 0.600 0.000) 0.600 9.547 ( 0.000 1.344 0.000) 1.344 10.140 ( 0.000 0.108 0.000) 0.108 10.252 ( 0.000 -2.294 0.000) 2.294 10.363 ( 0.000 4.589 0.000) 4.589 10.494 ( 0.000 2.081 0.000) 2.081 11.795 ( 0.000 0.088 0.000) 0.088 11.838 ( 0.000 -1.203 0.000) 1.203 11.911 ( 0.000 2.312 0.000) 2.312 11.976 ( 0.000 1.523 0.000) 1.523 13.284 ( 0.000 0.602 0.000) 0.602 13.324 ( 0.000 -1.258 0.000) 1.258 13.376 ( 0.000 -0.492 0.000) 0.492 13.415 ( 0.000 -0.481 0.000) 0.481 14.552 ( 0.000 1.051 0.000) 1.051 14.607 ( 0.000 -1.064 0.000) 1.064 14.632 ( 0.000 2.517 0.000) 2.517 14.735 ( 0.000 0.735 0.000) 0.735 14.812 ( 0.000 1.394 0.000) 1.394 15.047 ( 0.000 1.278 0.000) 1.278 15.086 ( 0.000 0.214 0.000) 0.214 15.090 ( 0.000 1.819 0.000) 1.819 15.130 ( 0.000 -0.889 0.000) 0.889 15.243 ( 0.000 -2.524 0.000) 2.524 15.540 ( 0.000 -3.357 0.000) 3.357 15.759 ( 0.000 -7.512 0.000) 7.512 16.289 ( 0.000 2.058 0.000) 2.058 16.307 ( 0.000 0.310 0.000) 0.310 16.333 ( 0.000 1.986 0.000) 1.986 16.358 ( 0.000 2.114 0.000) 2.114 17.537 ( 0.000 0.382 0.000) 0.382 17.602 ( 0.000 0.180 0.000) 0.180 17.642 ( 0.000 -1.567 0.000) 1.567 17.681 ( 0.000 -1.237 0.000) 1.237 20.714 ( 0.000 1.696 0.000) 1.696 20.784 ( 0.000 0.880 0.000) 0.880 20.981 ( 0.000 -1.701 0.000) 1.701 20.997 ( 0.000 -2.811 0.000) 2.811 25.060 ( 0.000 -1.378 0.000) 1.378 25.107 ( 0.000 -2.701 0.000) 2.701 25.529 ( 0.000 -9.535 0.000) 9.535 25.693 ( 0.000 -13.974 0.000) 13.974 28.345 ( 0.000 0.114 0.000) 0.114 28.361 ( 0.000 -0.905 0.000) 0.905 28.374 ( 0.000 -0.082 0.000) 0.082 28.393 ( 0.000 -1.092 0.000) 1.092 29.643 ( 0.000 0.168 0.000) 0.168 29.678 ( 0.000 -0.117 0.000) 0.117 29.774 ( 0.000 -0.283 0.000) 0.283 29.832 ( 0.000 -0.026 0.000) 0.026 31.962 ( 0.000 2.262 0.000) 2.262 32.037 ( 0.000 1.350 0.000) 1.350 32.123 ( 0.000 5.314 0.000) 5.314 32.178 ( 0.000 5.699 0.000) 5.699 32.408 ( 0.000 4.627 0.000) 4.627 32.492 ( 0.000 4.848 0.000) 4.848 32.524 ( 0.000 4.785 0.000) 4.785 32.625 ( 0.000 1.824 0.000) 1.824 32.844 ( 0.000 1.770 0.000) 1.770 32.976 ( 0.000 7.036 0.000) 7.036 33.044 ( 0.000 -1.198 0.000) 1.198 33.244 ( 0.000 -6.385 0.000) 6.385 33.539 ( 0.000 3.147 0.000) 3.147 34.022 ( 0.000 2.179 0.000) 2.179 34.182 ( 0.000 -6.444 0.000) 6.444 34.540 ( 0.000 -3.855 0.000) 3.855 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 4.099 15.580 1.431) 16.174 1.098 ( 5.285 18.388 -4.491) 19.653 1.387 ( -7.257 5.240 -7.679) 11.794 1.528 ( -3.743 6.044 2.843) 7.657 1.567 ( -3.909 -7.427 2.579) 8.780 1.716 ( -4.534 0.297 0.577) 4.580 1.802 ( 2.964 9.413 -6.469) 11.799 1.884 ( 5.027 5.269 6.127) 9.517 1.966 ( 1.593 0.482 0.391) 1.709 2.065 ( 1.776 4.506 -3.094) 5.747 2.148 ( 0.703 9.913 2.843) 10.337 2.198 ( -3.628 4.475 -0.464) 5.780 2.303 ( 1.870 0.280 8.347) 8.558 2.414 ( 2.461 2.205 -2.258) 4.002 2.456 ( 1.715 0.203 2.056) 2.685 2.513 ( 3.778 5.300 0.332) 6.517 2.555 ( 1.703 1.486 1.956) 2.990 2.584 ( 2.273 -2.655 1.303) 3.730 2.709 ( -5.073 0.089 0.701) 5.122 2.766 ( 2.495 0.610 -0.060) 2.569 2.788 ( -2.512 0.200 -6.876) 7.323 2.824 ( -5.022 -1.295 -0.200) 5.190 2.890 ( -6.255 1.503 -4.840) 8.050 3.058 ( 1.727 -2.303 -2.922) 4.102 3.082 ( -4.125 -2.521 -2.557) 5.469 3.125 ( -0.923 -0.043 4.251) 4.351 3.186 ( 1.610 0.118 -2.283) 2.796 3.198 ( -3.729 3.035 4.301) 6.451 3.269 ( 1.442 3.491 -0.216) 3.783 3.300 ( -0.063 2.420 -3.381) 4.158 3.327 ( 0.956 2.297 0.054) 2.489 3.365 ( -2.592 1.482 -0.848) 3.103 3.480 ( 9.333 0.335 5.452) 10.814 3.540 ( 2.194 -1.396 -3.849) 4.645 3.568 ( -0.901 0.147 3.636) 3.749 3.672 ( -1.772 0.517 2.330) 2.973 3.690 ( -0.156 4.966 2.425) 5.528 3.787 ( -3.458 0.825 -5.175) 6.279 3.845 ( -0.603 6.478 -0.046) 6.506 3.941 ( -1.613 5.402 -2.423) 6.136 3.972 ( 4.148 3.488 -2.249) 5.868 4.035 ( 3.093 -0.093 3.173) 4.432 4.122 ( 4.887 -1.707 1.887) 5.510 4.253 ( -4.913 0.347 1.665) 5.199 4.298 ( 1.596 1.886 1.601) 2.944 4.352 ( 6.233 -0.919 6.153) 8.806 4.469 ( -3.541 3.183 -4.923) 6.849 4.520 ( 5.355 -4.307 -2.445) 7.294 4.658 ( -2.537 3.859 -1.992) 5.029 4.676 ( -1.766 2.455 -0.419) 3.053 4.724 ( -1.228 0.389 -2.666) 2.961 4.844 ( -3.872 0.474 -0.404) 3.922 4.869 ( -3.731 1.373 -1.183) 4.147 4.906 ( -2.740 1.572 3.099) 4.425 4.979 ( -0.284 0.296 -0.916) 1.004 5.125 ( -0.854 2.109 2.514) 3.391 5.307 ( -7.952 5.061 -1.019) 9.481 5.419 ( -1.359 5.109 -3.289) 6.226 5.537 ( -1.790 0.207 0.923) 2.025 5.559 ( -9.995 -0.200 4.383) 10.916 5.649 ( -4.613 -0.364 2.313) 5.173 5.687 ( -4.644 -0.995 1.637) 5.024 5.752 ( -0.063 -0.034 -3.576) 3.576 5.875 ( 3.944 -1.245 -1.188) 4.303 6.038 ( 1.522 -3.743 2.300) 4.649 6.174 ( 1.284 -0.347 -4.484) 4.677 6.226 ( 1.012 -2.444 2.291) 3.500 6.364 ( -4.715 -6.019 -3.167) 8.276 6.443 ( 6.735 2.772 3.442) 8.055 6.579 ( 6.721 -3.782 -1.326) 7.825 6.833 ( 6.101 -10.833 -1.014) 12.475 7.188 ( 1.227 -7.570 3.967) 8.634 8.986 ( 1.971 -1.043 0.760) 2.356 9.072 ( -1.680 -1.668 -1.641) 2.881 9.171 ( -0.193 -1.554 -0.714) 1.721 9.225 ( 2.749 -2.680 1.842) 4.258 9.366 ( 0.585 -0.025 2.743) 2.805 9.416 ( 2.847 -1.246 -1.738) 3.560 9.515 ( 0.392 0.536 -1.977) 2.085 9.559 ( 1.068 1.212 0.101) 1.619 10.151 ( 1.309 0.008 -0.017) 1.309 10.258 ( 0.839 -2.230 -2.085) 3.166 10.360 ( 0.028 4.486 -1.115) 4.622 10.490 ( -1.009 2.196 1.955) 3.108 11.779 ( -3.132 -0.192 1.407) 3.439 11.803 ( -0.737 0.019 -1.668) 1.823 11.926 ( 1.065 1.988 -0.267) 2.271 11.969 ( -1.071 1.827 1.046) 2.362 13.283 ( -0.175 -0.380 0.635) 0.761 13.323 ( 0.039 -0.945 -0.576) 1.107 13.362 ( -1.278 -0.764 0.248) 1.509 13.425 ( 0.465 -0.613 1.121) 1.360 14.558 ( 1.497 1.095 -1.785) 2.574 14.619 ( -0.685 2.287 0.514) 2.443 14.652 ( 3.139 -1.111 -1.837) 3.802 14.749 ( 1.113 0.788 1.330) 1.905 14.831 ( 2.802 1.332 -1.942) 3.660 15.021 ( -1.490 1.090 0.019) 1.847 15.048 ( -2.201 1.714 0.817) 2.907 15.134 ( 2.403 -1.099 -4.236) 4.993 15.154 ( 3.269 -0.212 -1.329) 3.535 15.229 ( -2.032 -2.198 2.812) 4.107 15.487 ( -4.742 -2.056 0.307) 5.177 15.792 ( 2.274 -7.944 0.875) 8.309 16.230 ( -4.248 2.787 0.176) 5.084 16.273 ( -2.111 0.900 0.483) 2.346 16.344 ( 0.005 2.153 0.493) 2.209 16.382 ( 0.636 0.895 -0.744) 1.327 17.527 ( -0.808 0.590 -0.286) 1.041 17.599 ( -0.652 -0.033 1.213) 1.377 17.638 ( -0.150 -1.372 -0.978) 1.691 17.679 ( -0.370 -1.505 0.374) 1.594 20.704 ( 0.507 0.607 -0.363) 0.870 20.834 ( 3.120 0.397 1.265) 3.390 20.949 ( -1.644 -2.294 -0.251) 2.834 21.028 ( 1.359 -1.806 0.989) 2.467 25.101 ( 4.629 -3.166 -7.017) 8.983 25.125 ( 2.243 -3.110 0.597) 3.880 25.349 ( -9.927 -5.313 -1.857) 11.411 25.922 ( 13.145 -19.454 6.987) 24.496 28.336 ( -0.907 0.452 0.082) 1.017 28.349 ( -1.069 -0.832 0.035) 1.355 28.377 ( 0.188 -0.317 -0.143) 0.395 28.398 ( 0.385 -1.555 0.039) 1.603 29.651 ( 0.490 0.142 0.378) 0.635 29.671 ( -0.150 0.431 -0.502) 0.679 29.793 ( 1.584 -0.472 0.575) 1.750 29.846 ( 1.430 -0.491 -0.316) 1.545 31.928 ( -2.634 2.618 0.452) 3.741 32.015 ( -2.580 1.639 -0.309) 3.072 32.171 ( 4.001 5.160 1.110) 6.623 32.200 ( 2.015 5.507 -0.290) 5.871 32.404 ( -0.203 4.112 0.451) 4.142 32.471 ( -0.179 3.588 -3.585) 5.075 32.555 ( 1.886 5.374 2.837) 6.363 32.644 ( 1.054 4.140 1.623) 4.570 32.791 ( -2.596 3.901 -0.913) 4.774 32.954 ( -1.400 6.369 -3.400) 7.354 33.032 ( -1.920 -1.938 1.433) 3.081 33.194 ( -5.361 -5.646 0.941) 7.843 33.396 ( -11.423 6.100 -5.911) 14.235 34.068 ( 5.375 2.071 -2.309) 6.206 34.262 ( 5.909 -8.471 1.266) 10.406 34.568 ( -0.102 -4.531 6.854) 8.217 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -1.168 15.137 -4.154) 15.740 1.205 ( 0.333 5.803 0.306) 5.820 1.333 ( 8.036 8.753 1.248) 11.947 1.427 ( -6.714 -3.921 2.726) 8.239 1.554 ( 2.422 0.163 3.565) 4.313 1.639 ( -2.866 1.114 -1.563) 3.450 1.809 ( 2.467 12.711 -8.146) 15.298 1.944 ( -3.244 -3.244 -2.171) 5.075 1.973 ( 0.975 -3.971 3.213) 5.200 2.099 ( -3.248 6.660 2.518) 7.826 2.159 ( 3.318 5.079 -3.621) 7.065 2.226 ( 0.338 3.204 3.986) 5.125 2.310 ( -2.131 3.521 -0.499) 4.146 2.405 ( -2.077 0.636 0.394) 2.207 2.459 ( -5.799 -0.821 2.381) 6.322 2.547 ( -1.910 -2.176 -2.760) 4.000 2.568 ( 1.397 1.044 -2.041) 2.685 2.619 ( -0.999 2.097 -0.858) 2.476 2.634 ( 3.321 -0.545 0.436) 3.393 2.768 ( 3.814 0.367 -2.501) 4.575 2.844 ( 0.323 2.135 2.372) 3.207 2.857 ( 10.422 5.369 2.079) 11.907 2.887 ( 6.479 1.933 7.682) 10.234 2.952 ( -4.644 -0.775 -2.391) 5.280 3.043 ( -2.154 3.495 -1.498) 4.370 3.120 ( -0.048 -1.707 2.409) 2.953 3.138 ( -0.051 -2.374 -2.317) 3.318 3.219 ( 2.171 0.824 -3.282) 4.020 3.276 ( -0.543 2.685 -0.126) 2.742 3.311 ( 0.382 1.166 -0.705) 1.415 3.363 ( 3.424 7.175 0.964) 8.008 3.404 ( 2.695 2.452 1.781) 4.056 3.471 ( -5.615 -0.628 -0.649) 5.687 3.525 ( -2.940 1.281 0.851) 3.318 3.628 ( 2.976 -1.601 0.918) 3.502 3.662 ( -0.308 4.721 -3.231) 5.729 3.683 ( 0.982 5.230 4.111) 6.725 3.754 ( -1.238 1.991 -0.725) 2.453 3.879 ( -1.265 5.309 -0.767) 5.512 3.901 ( 0.056 4.602 0.087) 4.603 4.026 ( -6.271 -1.703 4.943) 8.165 4.064 ( 3.819 1.157 -1.953) 4.443 4.175 ( -2.063 5.223 0.912) 5.689 4.220 ( 4.940 -2.767 1.802) 5.942 4.257 ( -9.587 8.258 -3.419) 13.107 4.379 ( 1.802 -1.601 -0.772) 2.531 4.401 ( -6.651 5.368 -2.913) 9.030 4.580 ( 4.805 -1.232 1.265) 5.119 4.605 ( 3.036 -3.387 -3.809) 5.933 4.660 ( 0.476 1.011 -0.761) 1.352 4.737 ( 0.880 -0.621 -0.307) 1.120 4.793 ( -2.001 -0.119 -1.711) 2.635 4.805 ( -2.351 2.163 4.511) 5.527 4.875 ( -2.590 2.751 0.163) 3.781 5.014 ( 4.588 -2.712 -0.620) 5.366 5.109 ( -1.291 0.432 1.135) 1.772 5.183 ( -4.756 1.698 -1.842) 5.376 5.352 ( -5.142 -0.888 -2.140) 5.640 5.429 ( -5.463 0.356 4.991) 7.408 5.493 ( -2.225 4.449 -0.510) 5.001 5.547 ( -4.607 0.566 -0.152) 4.644 5.694 ( 3.400 -1.696 3.162) 4.943 5.758 ( 1.389 -4.141 -2.813) 5.195 5.927 ( 1.608 2.908 -0.656) 3.387 6.035 ( -3.432 -3.527 1.427) 5.124 6.138 ( -3.339 -1.873 -2.155) 4.393 6.238 ( -0.385 -2.767 1.373) 3.113 6.279 ( -1.348 -1.647 -1.800) 2.788 6.637 ( 11.830 1.900 2.606) 12.261 6.710 ( 7.263 -4.358 -1.688) 8.637 6.903 ( 1.455 -9.041 -1.123) 9.226 7.140 ( -7.996 -4.422 2.868) 9.577 9.028 ( 1.355 -1.300 1.276) 2.270 9.045 ( -0.031 -0.659 -1.218) 1.385 9.160 ( -0.589 -1.566 -0.849) 1.876 9.259 ( 0.366 -1.997 0.731) 2.158 9.426 ( 3.478 -1.068 1.961) 4.133 9.463 ( 2.770 -1.042 0.545) 3.010 9.512 ( 0.467 0.294 -1.858) 1.938 9.572 ( 0.221 0.824 -1.247) 1.511 10.185 ( 2.098 -0.453 0.393) 2.182 10.252 ( -0.316 -1.490 -2.323) 2.778 10.356 ( 0.267 4.130 -1.166) 4.300 10.479 ( -1.159 2.682 1.999) 3.540 11.727 ( -2.446 -0.256 1.056) 2.677 11.797 ( 0.469 -0.724 -1.590) 1.809 11.940 ( 0.560 2.335 -0.156) 2.407 11.950 ( -1.344 2.634 1.070) 3.145 13.288 ( 0.409 -1.583 0.530) 1.718 13.319 ( 0.100 -0.727 -1.267) 1.464 13.337 ( -1.644 -1.011 0.985) 2.167 13.436 ( 0.157 -0.820 0.811) 1.164 14.584 ( 1.826 1.292 -1.829) 2.890 14.612 ( 0.210 2.753 -0.267) 2.774 14.673 ( -0.518 -0.223 0.890) 1.053 14.767 ( -0.380 2.674 1.650) 3.165 14.908 ( 7.093 -1.272 -5.012) 8.778 15.009 ( -0.330 1.383 0.215) 1.438 15.022 ( -0.884 0.806 1.009) 1.565 15.144 ( 1.638 -1.601 -5.882) 6.312 15.172 ( -2.860 -1.622 3.811) 5.034 15.240 ( 3.066 -1.422 0.644) 3.441 15.399 ( -4.891 -0.555 0.818) 4.990 15.826 ( 0.861 -7.198 1.055) 7.325 16.181 ( -1.100 1.665 -0.211) 2.006 16.235 ( -2.181 0.525 0.616) 2.326 16.340 ( -0.590 1.999 0.385) 2.120 16.369 ( -1.004 1.525 -0.518) 1.897 17.511 ( -0.706 0.951 -0.287) 1.218 17.593 ( -0.691 -0.558 1.414) 1.670 17.629 ( -0.113 -0.798 -1.203) 1.448 17.670 ( -0.707 -1.891 0.374) 2.053 20.738 ( 3.102 -1.406 -0.237) 3.414 20.854 ( -1.966 -2.365 0.829) 3.185 20.950 ( 1.992 0.014 -0.221) 2.004 21.046 ( 0.147 -1.136 0.885) 1.448 25.131 ( 0.897 -3.300 1.123) 3.599 25.175 ( 2.918 -4.027 -6.034) 7.820 25.212 ( -3.653 -2.724 -1.029) 4.672 26.149 ( 7.417 -24.658 5.758) 26.385 28.319 ( -0.820 0.784 0.024) 1.135 28.331 ( -0.812 -0.680 0.060) 1.061 28.377 ( -0.055 -0.334 -0.128) 0.362 28.405 ( 0.255 -2.580 0.134) 2.596 29.653 ( 0.039 0.754 -0.506) 0.908 29.678 ( 0.491 0.396 0.573) 0.852 29.828 ( 1.786 -0.482 0.220) 1.863 29.868 ( 0.827 -1.098 -0.197) 1.389 31.894 ( -1.286 2.318 0.583) 2.714 31.958 ( -2.717 2.470 -0.827) 3.764 32.230 ( 1.691 4.828 -0.286) 5.124 32.243 ( 2.208 4.727 0.796) 5.278 32.416 ( 0.901 3.110 0.323) 3.254 32.479 ( 3.050 3.807 -0.882) 4.958 32.587 ( 0.292 5.504 -0.352) 5.523 32.681 ( 1.258 8.816 7.350) 11.547 32.803 ( 3.077 1.737 1.079) 3.695 32.892 ( -3.275 2.315 -3.294) 5.189 32.973 ( -5.183 0.863 -1.179) 5.385 33.078 ( -7.059 -3.961 0.413) 8.105 33.177 ( -6.037 8.994 -7.876) 13.393 34.173 ( 7.209 1.879 -3.994) 8.453 34.345 ( 1.382 -9.142 2.931) 9.699 34.576 ( -2.024 -4.442 4.716) 6.787 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 14.243 0.000) 14.243 1.194 ( 0.000 1.397 0.000) 1.397 1.360 ( 0.000 -5.949 0.000) 5.949 1.453 ( 0.000 10.748 0.000) 10.748 1.599 ( 0.000 -1.951 -0.000) 1.951 1.678 ( 0.000 -1.279 0.000) 1.279 1.749 ( -0.000 7.849 -0.000) 7.849 1.930 ( -0.000 12.741 0.000) 12.741 1.938 ( 0.000 -2.705 -0.000) 2.705 2.133 ( 0.000 5.039 0.000) 5.039 2.146 ( -0.000 0.414 -0.000) 0.414 2.211 ( 0.000 -2.256 0.000) 2.256 2.253 ( 0.000 6.936 0.000) 6.936 2.382 ( 0.000 -2.889 0.000) 2.889 2.425 ( 0.000 0.564 0.000) 0.564 2.467 ( 0.000 1.622 -0.000) 1.622 2.611 ( 0.000 -1.798 -0.000) 1.798 2.634 ( 0.000 6.197 0.000) 6.197 2.652 ( 0.000 -5.217 -0.000) 5.217 2.815 ( -0.000 1.511 0.000) 1.511 2.818 ( 0.000 -5.162 -0.000) 5.162 2.910 ( 0.000 2.199 0.000) 2.199 2.954 ( 0.000 -0.530 -0.000) 0.530 2.996 ( 0.000 1.930 -0.000) 1.930 3.051 ( 0.000 1.392 -0.000) 1.392 3.112 ( -0.000 -3.491 0.000) 3.491 3.230 ( 0.000 -0.573 -0.000) 0.573 3.260 ( 0.000 2.543 -0.000) 2.543 3.295 ( 0.000 3.745 0.000) 3.745 3.324 ( -0.000 5.050 -0.000) 5.050 3.391 ( 0.000 -2.087 0.000) 2.087 3.411 ( -0.000 9.049 -0.000) 9.049 3.423 ( 0.000 -1.093 0.000) 1.093 3.485 ( 0.000 2.518 0.000) 2.518 3.628 ( 0.000 1.522 0.000) 1.522 3.650 ( 0.000 11.203 -0.000) 11.203 3.709 ( -0.000 4.622 0.000) 4.622 3.728 ( 0.000 4.979 -0.000) 4.979 3.823 ( 0.000 2.733 0.000) 2.733 3.903 ( 0.000 4.646 -0.000) 4.646 3.945 ( 0.000 -3.581 -0.000) 3.581 3.985 ( 0.000 7.045 0.000) 7.045 4.165 ( 0.000 4.723 -0.000) 4.723 4.236 ( 0.000 2.877 0.000) 2.877 4.253 ( -0.000 6.093 -0.000) 6.093 4.360 ( 0.000 -1.915 -0.000) 1.915 4.405 ( 0.000 1.024 0.000) 1.024 4.605 ( 0.000 -3.804 -0.000) 3.804 4.651 ( 0.000 1.185 0.000) 1.185 4.653 ( 0.000 0.222 -0.000) 0.222 4.756 ( 0.000 -3.863 0.000) 3.863 4.767 ( 0.000 3.581 -0.000) 3.581 4.806 ( 0.000 -1.600 0.000) 1.600 4.832 ( 0.000 0.836 0.000) 0.836 5.084 ( 0.000 -2.587 0.000) 2.587 5.102 ( 0.000 0.810 -0.000) 0.810 5.126 ( 0.000 -0.013 0.000) 0.013 5.271 ( 0.000 -6.306 -0.000) 6.306 5.398 ( 0.000 -0.104 0.000) 0.104 5.469 ( 0.000 6.355 -0.000) 6.355 5.508 ( 0.000 4.092 0.000) 4.092 5.762 ( 0.000 -5.367 -0.000) 5.367 5.781 ( 0.000 -1.899 0.000) 1.899 5.899 ( 0.000 2.001 -0.000) 2.001 5.985 ( 0.000 -4.327 0.000) 4.327 6.105 ( 0.000 -0.055 -0.000) 0.055 6.238 ( 0.000 -1.592 -0.000) 1.592 6.268 ( 0.000 -0.901 0.000) 0.901 6.782 ( -0.000 -6.244 -0.000) 6.244 6.843 ( 0.000 0.608 0.000) 0.608 6.863 ( 0.000 -7.544 -0.000) 7.544 7.021 ( -0.000 -0.890 0.000) 0.890 9.030 ( 0.000 -0.093 0.000) 0.093 9.060 ( 0.000 -1.922 -0.000) 1.922 9.149 ( 0.000 -1.450 -0.000) 1.450 9.262 ( 0.000 -1.415 0.000) 1.415 9.468 ( 0.000 -0.148 0.000) 0.148 9.488 ( -0.000 -1.292 -0.000) 1.292 9.535 ( 0.000 -1.882 0.000) 1.882 9.553 ( 0.000 1.575 -0.000) 1.575 10.221 ( 0.000 -0.767 0.000) 0.767 10.228 ( -0.000 -1.018 -0.000) 1.018 10.356 ( 0.000 3.910 0.000) 3.910 10.472 ( 0.000 3.087 0.000) 3.087 11.707 ( 0.000 -0.582 -0.000) 0.582 11.798 ( 0.000 -1.213 0.000) 1.213 11.938 ( 0.000 3.248 -0.000) 3.248 11.946 ( 0.000 2.407 0.000) 2.407 13.297 ( 0.000 -2.119 0.000) 2.119 13.317 ( -0.000 -2.133 0.000) 2.133 13.320 ( 0.000 0.506 -0.000) 0.506 13.439 ( 0.000 -0.913 0.000) 0.913 14.593 ( 0.000 2.017 0.000) 2.017 14.623 ( 0.000 2.438 0.000) 2.438 14.663 ( 0.000 0.151 -0.000) 0.151 14.765 ( 0.000 3.224 0.000) 3.224 14.985 ( -0.000 -1.870 0.000) 1.870 15.000 ( 0.000 1.962 -0.000) 1.962 15.019 ( 0.000 0.178 -0.000) 0.178 15.132 ( -0.000 -3.007 0.000) 3.007 15.154 ( 0.000 -0.596 -0.000) 0.596 15.294 ( 0.000 -4.190 0.000) 4.190 15.334 ( 0.000 2.259 -0.000) 2.259 15.836 ( 0.000 -6.407 0.000) 6.407 16.176 ( 0.000 0.335 0.000) 0.335 16.211 ( 0.000 0.479 -0.000) 0.479 16.333 ( 0.000 1.829 0.000) 1.829 16.357 ( 0.000 2.060 -0.000) 2.060 17.503 ( 0.000 1.120 0.000) 1.120 17.590 ( 0.000 -0.884 -0.000) 0.884 17.625 ( 0.000 -0.384 0.000) 0.384 17.663 ( 0.000 -2.060 0.000) 2.060 20.800 ( 0.000 -2.052 -0.000) 2.052 20.802 ( -0.000 -3.361 0.000) 3.361 20.975 ( 0.000 0.603 -0.000) 0.603 21.047 ( 0.000 -0.833 0.000) 0.833 25.144 ( 0.000 -3.463 -0.000) 3.463 25.157 ( 0.000 -1.414 0.000) 1.414 25.205 ( 0.000 -4.365 0.000) 4.365 26.232 ( 0.000 -26.388 -0.000) 26.388 28.311 ( 0.000 0.855 0.000) 0.855 28.323 ( 0.000 -0.562 -0.000) 0.562 28.376 ( 0.000 -0.258 -0.000) 0.258 28.408 ( 0.000 -3.149 0.000) 3.149 29.652 ( 0.000 0.959 0.000) 0.959 29.684 ( 0.000 0.422 0.000) 0.422 29.849 ( 0.000 -0.329 -0.000) 0.329 29.873 ( 0.000 -1.412 -0.000) 1.412 31.884 ( 0.000 1.962 -0.000) 1.962 31.928 ( 0.000 2.762 0.000) 2.762 32.246 ( 0.000 5.142 0.000) 5.142 32.262 ( 0.000 3.457 -0.000) 3.457 32.424 ( 0.000 3.087 0.000) 3.087 32.537 ( 0.000 6.130 -0.000) 6.130 32.582 ( 0.000 5.526 0.000) 5.526 32.714 ( 0.000 4.006 0.000) 4.006 32.842 ( -0.000 1.483 -0.000) 1.483 32.876 ( 0.000 8.375 -0.000) 8.375 32.879 ( -0.000 0.794 0.000) 0.794 32.990 ( 0.000 -2.268 0.000) 2.268 33.113 ( 0.000 5.888 0.000) 5.888 34.247 ( 0.000 2.086 -0.000) 2.086 34.351 ( 0.000 -8.399 0.000) 8.399 34.565 ( 0.000 -4.963 0.000) 4.963 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 0.000 9.949 0.000) 9.949 1.466 ( 0.000 12.807 0.000) 12.807 1.492 ( 0.000 2.970 0.000) 2.970 1.597 ( 0.000 12.464 0.000) 12.464 1.728 ( 0.000 -2.035 0.000) 2.035 1.800 ( 0.000 6.730 0.000) 6.730 1.814 ( 0.000 0.005 0.000) 0.005 1.937 ( 0.000 0.336 0.000) 0.336 1.967 ( 0.000 4.468 0.000) 4.468 2.148 ( 0.000 -2.672 0.000) 2.672 2.162 ( 0.000 5.088 0.000) 5.088 2.309 ( 0.000 3.025 0.000) 3.025 2.320 ( 0.000 -5.143 0.000) 5.143 2.426 ( 0.000 1.588 0.000) 1.588 2.470 ( 0.000 0.524 0.000) 0.524 2.495 ( 0.000 2.146 0.000) 2.146 2.519 ( 0.000 0.285 0.000) 0.285 2.628 ( 0.000 0.740 0.000) 0.740 2.727 ( 0.000 -0.435 0.000) 0.435 2.748 ( 0.000 -2.800 0.000) 2.800 2.814 ( 0.000 -2.177 0.000) 2.177 2.893 ( 0.000 -4.082 0.000) 4.082 2.967 ( 0.000 8.143 0.000) 8.143 3.046 ( 0.000 1.326 0.000) 1.326 3.077 ( 0.000 -5.618 0.000) 5.618 3.135 ( 0.000 2.746 0.000) 2.746 3.208 ( 0.000 0.563 0.000) 0.563 3.213 ( 0.000 -0.858 0.000) 0.858 3.218 ( 0.000 1.480 0.000) 1.480 3.290 ( 0.000 -2.084 0.000) 2.084 3.338 ( 0.000 0.524 0.000) 0.524 3.408 ( 0.000 -4.735 0.000) 4.735 3.438 ( 0.000 2.535 0.000) 2.535 3.538 ( 0.000 6.402 0.000) 6.402 3.576 ( 0.000 -1.947 0.000) 1.947 3.674 ( 0.000 11.938 0.000) 11.938 3.792 ( 0.000 0.793 0.000) 0.793 3.850 ( 0.000 -3.869 0.000) 3.869 3.941 ( 0.000 -0.775 0.000) 0.775 3.999 ( 0.000 1.711 0.000) 1.711 4.018 ( 0.000 7.334 0.000) 7.334 4.102 ( 0.000 7.055 0.000) 7.055 4.131 ( 0.000 6.869 0.000) 6.869 4.182 ( 0.000 -0.810 0.000) 0.810 4.310 ( 0.000 -0.487 0.000) 0.487 4.351 ( 0.000 -0.130 0.000) 0.130 4.452 ( 0.000 3.199 0.000) 3.199 4.564 ( 0.000 0.936 0.000) 0.936 4.657 ( 0.000 -0.256 0.000) 0.256 4.689 ( 0.000 -7.922 0.000) 7.922 4.788 ( 0.000 -0.439 0.000) 0.439 4.831 ( 0.000 -4.498 0.000) 4.498 4.872 ( 0.000 5.692 0.000) 5.692 4.990 ( 0.000 0.944 0.000) 0.944 5.058 ( 0.000 4.775 0.000) 4.775 5.213 ( 0.000 3.414 0.000) 3.414 5.472 ( 0.000 3.546 0.000) 3.546 5.548 ( 0.000 4.153 0.000) 4.153 5.624 ( 0.000 5.596 0.000) 5.596 5.683 ( 0.000 -4.562 0.000) 4.562 5.697 ( 0.000 -2.768 0.000) 2.768 5.734 ( 0.000 6.060 0.000) 6.060 5.796 ( 0.000 1.727 0.000) 1.727 5.815 ( 0.000 -0.240 0.000) 0.240 5.904 ( 0.000 -0.849 0.000) 0.849 6.055 ( 0.000 -8.029 0.000) 8.029 6.195 ( 0.000 -1.722 0.000) 1.722 6.280 ( 0.000 -5.898 0.000) 5.898 6.328 ( 0.000 -4.531 0.000) 4.531 6.530 ( 0.000 -11.083 0.000) 11.083 6.561 ( 0.000 5.714 0.000) 5.714 7.002 ( 0.000 -7.945 0.000) 7.945 8.952 ( 0.000 -0.213 0.000) 0.213 9.037 ( 0.000 -3.072 0.000) 3.072 9.159 ( 0.000 -0.147 0.000) 0.147 9.169 ( 0.000 -0.170 0.000) 0.170 9.359 ( 0.000 -0.252 0.000) 0.252 9.370 ( 0.000 -0.553 0.000) 0.553 9.526 ( 0.000 0.426 0.000) 0.426 9.561 ( 0.000 0.153 0.000) 0.153 10.145 ( 0.000 0.521 0.000) 0.521 10.213 ( 0.000 -1.761 0.000) 1.761 10.449 ( 0.000 3.870 0.000) 3.870 10.523 ( 0.000 0.922 0.000) 0.922 11.797 ( 0.000 0.083 0.000) 0.083 11.817 ( 0.000 -0.868 0.000) 0.868 11.956 ( 0.000 2.184 0.000) 2.184 12.000 ( 0.000 0.840 0.000) 0.840 13.297 ( 0.000 0.690 0.000) 0.690 13.307 ( 0.000 -0.391 0.000) 0.391 13.368 ( 0.000 -0.293 0.000) 0.293 13.399 ( 0.000 -0.991 0.000) 0.991 14.576 ( 0.000 1.372 0.000) 1.372 14.599 ( 0.000 0.208 0.000) 0.208 14.686 ( 0.000 2.753 0.000) 2.753 14.748 ( 0.000 0.478 0.000) 0.478 14.852 ( 0.000 2.906 0.000) 2.906 15.061 ( 0.000 -0.337 0.000) 0.337 15.093 ( 0.000 0.510 0.000) 0.510 15.119 ( 0.000 0.926 0.000) 0.926 15.125 ( 0.000 0.349 0.000) 0.349 15.188 ( 0.000 -2.829 0.000) 2.829 15.485 ( 0.000 -1.990 0.000) 1.990 15.627 ( 0.000 -6.082 0.000) 6.082 16.309 ( 0.000 0.423 0.000) 0.423 16.311 ( 0.000 0.121 0.000) 0.121 16.373 ( 0.000 1.726 0.000) 1.726 16.390 ( 0.000 1.136 0.000) 1.136 17.548 ( 0.000 0.717 0.000) 0.717 17.606 ( 0.000 0.242 0.000) 0.242 17.610 ( 0.000 -1.540 0.000) 1.540 17.655 ( 0.000 -1.387 0.000) 1.387 20.750 ( 0.000 1.979 0.000) 1.979 20.801 ( 0.000 0.794 0.000) 0.794 20.944 ( 0.000 -1.985 0.000) 1.985 20.947 ( 0.000 -2.223 0.000) 2.223 25.034 ( 0.000 -1.163 0.000) 1.163 25.057 ( 0.000 -2.307 0.000) 2.307 25.362 ( 0.000 -7.169 0.000) 7.169 25.447 ( 0.000 -10.706 0.000) 10.706 28.342 ( 0.000 -0.156 0.000) 0.156 28.359 ( 0.000 0.332 0.000) 0.332 28.364 ( 0.000 -0.715 0.000) 0.715 28.383 ( 0.000 -0.276 0.000) 0.276 29.651 ( 0.000 0.590 0.000) 0.590 29.677 ( 0.000 -0.067 0.000) 0.067 29.771 ( 0.000 0.077 0.000) 0.077 29.822 ( 0.000 -0.992 0.000) 0.992 32.008 ( 0.000 2.249 0.000) 2.249 32.057 ( 0.000 0.594 0.000) 0.594 32.214 ( 0.000 4.204 0.000) 4.204 32.269 ( 0.000 3.535 0.000) 3.535 32.484 ( 0.000 2.779 0.000) 2.779 32.554 ( 0.000 -0.650 0.000) 0.650 32.583 ( 0.000 4.600 0.000) 4.600 32.685 ( 0.000 3.087 0.000) 3.087 32.869 ( 0.000 0.910 0.000) 0.910 33.013 ( 0.000 -2.623 0.000) 2.623 33.074 ( 0.000 2.657 0.000) 2.657 33.130 ( 0.000 -4.379 0.000) 4.379 33.642 ( 0.000 7.202 0.000) 7.202 34.051 ( 0.000 -6.598 0.000) 6.598 34.106 ( 0.000 6.349 0.000) 6.349 34.468 ( 0.000 -3.915 0.000) 3.915 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 1.176 9.130 0.640) 9.227 1.410 ( -1.511 9.429 -2.093) 9.776 1.495 ( -0.025 4.611 1.380) 4.813 1.503 ( -10.768 7.172 -1.430) 13.017 1.652 ( -10.504 5.434 -1.617) 11.936 1.748 ( 0.844 2.957 -0.428) 3.104 1.807 ( 0.542 0.040 -2.806) 2.858 1.903 ( -1.355 -1.214 1.088) 2.120 2.041 ( 1.406 3.708 -3.013) 4.981 2.136 ( 3.027 -0.441 1.566) 3.436 2.232 ( -2.914 -0.420 -0.996) 3.107 2.273 ( 3.572 4.354 3.948) 6.878 2.399 ( 2.962 -3.292 1.749) 4.761 2.425 ( -0.033 3.499 3.575) 5.003 2.490 ( 1.367 -2.619 3.124) 4.299 2.498 ( 2.893 2.063 -1.131) 3.729 2.554 ( -1.413 0.171 -1.983) 2.441 2.646 ( -2.318 -1.926 -2.238) 3.754 2.705 ( -2.661 -0.344 2.066) 3.386 2.718 ( -1.426 -3.786 4.218) 5.844 2.776 ( -3.641 -2.985 -3.497) 5.865 2.826 ( 2.526 -0.255 -2.859) 3.823 2.940 ( -4.807 3.966 0.180) 6.234 2.985 ( 3.342 3.464 -1.587) 5.068 3.096 ( -2.821 1.247 2.341) 3.872 3.125 ( -0.360 2.899 -0.078) 2.923 3.178 ( -1.873 1.325 -3.243) 3.973 3.227 ( -0.716 -0.010 -1.170) 1.372 3.287 ( 4.044 -0.530 0.411) 4.099 3.301 ( 1.675 -1.526 1.293) 2.609 3.414 ( 5.010 1.804 2.563) 5.910 3.437 ( 3.267 1.551 0.146) 3.620 3.477 ( 5.623 4.655 -0.054) 7.300 3.547 ( 1.918 1.186 -0.960) 2.451 3.580 ( -0.058 1.832 2.316) 2.954 3.725 ( -1.634 3.393 -0.726) 3.835 3.757 ( -0.573 2.868 2.675) 3.964 3.797 ( -0.793 0.536 -5.215) 5.302 3.953 ( 1.274 2.831 -0.205) 3.111 3.977 ( 1.184 -1.173 0.119) 1.671 4.058 ( -1.393 4.992 -1.404) 5.369 4.107 ( 0.171 6.448 0.479) 6.468 4.132 ( -0.322 3.444 -0.144) 3.462 4.248 ( -0.840 -0.855 4.627) 4.780 4.305 ( 5.156 0.421 0.795) 5.234 4.399 ( 4.515 2.311 4.090) 6.515 4.463 ( 2.550 -0.393 -1.263) 2.873 4.517 ( -1.808 1.437 -4.002) 4.621 4.635 ( -3.927 -5.223 -5.281) 8.402 4.689 ( 0.597 -0.949 2.024) 2.314 4.762 ( -1.992 1.016 -2.429) 3.302 4.820 ( -1.925 -2.558 3.991) 5.116 4.908 ( -0.122 1.954 0.270) 1.976 4.912 ( -4.447 1.973 -2.416) 5.432 5.037 ( -2.752 5.005 0.697) 5.754 5.174 ( -3.226 2.580 -1.584) 4.424 5.383 ( -10.447 2.678 -1.993) 10.968 5.481 ( -2.293 -1.865 -0.091) 2.958 5.531 ( -10.315 -1.048 1.412) 10.464 5.544 ( -8.266 0.597 2.751) 8.732 5.662 ( -3.960 0.492 -0.333) 4.005 5.695 ( -2.889 4.803 3.745) 6.741 5.796 ( -0.929 3.979 -2.015) 4.556 5.882 ( 6.593 1.468 -0.707) 6.791 5.978 ( 3.703 -2.351 2.407) 5.003 6.046 ( -2.019 -8.601 -0.431) 8.845 6.217 ( 1.599 -1.115 -1.152) 2.264 6.269 ( -0.727 -3.289 -0.683) 3.437 6.410 ( 8.271 -4.476 -1.518) 9.526 6.597 ( 5.204 -4.178 -0.811) 6.722 6.632 ( 7.125 -1.561 1.302) 7.409 7.037 ( 2.154 -8.245 0.727) 8.552 8.970 ( 1.626 -0.438 0.478) 1.750 9.034 ( -0.064 -2.169 -0.794) 2.311 9.153 ( -0.502 -0.262 -0.352) 0.667 9.186 ( 1.328 -1.348 0.585) 1.980 9.371 ( 1.137 0.356 2.235) 2.533 9.396 ( 2.602 -0.838 -0.902) 2.879 9.525 ( 0.423 0.644 -1.625) 1.798 9.572 ( 0.828 0.064 0.226) 0.861 10.155 ( 1.053 0.470 0.162) 1.164 10.219 ( 0.944 -1.725 -1.529) 2.491 10.443 ( -0.285 3.800 -0.847) 3.904 10.521 ( -0.666 0.980 1.593) 1.985 11.777 ( -2.621 0.005 0.801) 2.740 11.798 ( -0.833 -0.432 -1.338) 1.635 11.966 ( 0.908 1.954 -0.065) 2.155 11.999 ( -0.390 1.084 0.780) 1.391 13.282 ( -1.007 0.191 -0.161) 1.038 13.308 ( -0.285 -0.596 -0.356) 0.750 13.356 ( -0.985 0.143 0.407) 1.076 13.409 ( 0.392 -1.023 0.807) 1.360 14.587 ( 1.887 1.762 -1.776) 3.134 14.634 ( 3.161 -0.012 -1.299) 3.418 14.681 ( -0.473 2.992 0.940) 3.171 14.760 ( 1.261 0.413 0.560) 1.440 14.873 ( 2.016 2.803 -0.008) 3.452 15.041 ( -1.943 0.473 2.068) 2.877 15.078 ( -1.623 1.252 0.643) 2.149 15.121 ( 1.272 -0.216 -3.042) 3.304 15.148 ( 1.766 -0.417 -1.992) 2.695 15.183 ( -0.856 -2.336 2.558) 3.568 15.454 ( -2.839 -1.014 -0.028) 3.015 15.644 ( 1.499 -7.093 -0.008) 7.250 16.268 ( -3.499 1.210 0.169) 3.707 16.285 ( -2.283 0.372 0.326) 2.336 16.377 ( -0.051 1.360 0.239) 1.382 16.397 ( 0.228 0.625 -0.268) 0.717 17.541 ( -0.551 0.828 -0.156) 1.007 17.597 ( -0.980 -0.425 0.785) 1.325 17.612 ( 0.243 -0.887 -0.743) 1.182 17.651 ( -0.574 -1.418 0.199) 1.543 20.725 ( -0.999 1.445 -0.432) 1.809 20.830 ( 0.466 -1.049 0.582) 1.287 20.918 ( 0.578 -0.491 -0.335) 0.829 20.991 ( 2.085 -1.903 0.621) 2.891 25.052 ( 2.298 -1.890 -3.094) 4.293 25.070 ( 1.220 -2.409 1.135) 2.929 25.260 ( -5.667 -3.273 -0.795) 6.592 25.574 ( 7.634 -15.541 2.694) 17.523 28.336 ( -0.651 -0.167 0.121) 0.683 28.349 ( -0.832 0.529 0.086) 0.990 28.360 ( -0.284 -0.862 -0.258) 0.944 28.385 ( 0.131 -0.337 0.036) 0.364 29.659 ( 0.708 0.612 0.316) 0.988 29.677 ( 0.278 0.233 -0.499) 0.617 29.786 ( 1.289 -0.230 0.488) 1.398 29.829 ( 0.782 -1.216 -0.267) 1.470 31.981 ( -2.277 2.673 0.292) 3.523 32.040 ( -1.757 0.812 -0.214) 1.947 32.256 ( 3.546 3.730 0.524) 5.173 32.287 ( 1.705 3.372 -0.242) 3.786 32.480 ( -0.522 3.105 0.739) 3.234 32.522 ( -0.699 1.573 -3.865) 4.231 32.616 ( 2.229 2.158 1.718) 3.547 32.718 ( 2.057 2.515 3.214) 4.570 32.843 ( -1.845 1.785 -0.102) 2.570 32.982 ( -3.019 -2.930 -2.183) 4.740 33.041 ( -3.411 1.905 0.730) 3.974 33.096 ( -3.892 -3.782 0.916) 5.503 33.566 ( -5.878 10.595 -3.492) 12.609 34.082 ( 3.956 -6.310 -3.217) 8.112 34.164 ( 4.868 4.112 1.142) 6.474 34.490 ( 0.658 -3.875 3.899) 5.536 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -0.256 7.221 0.743) 7.263 1.302 ( -7.920 6.225 -1.332) 10.162 1.393 ( -8.541 0.031 -1.625) 8.694 1.462 ( 3.676 5.269 2.894) 7.047 1.552 ( 1.082 3.199 3.211) 4.660 1.695 ( -3.226 4.862 -3.063) 6.590 1.873 ( 2.566 -3.388 -4.670) 6.315 1.904 ( 0.171 -1.901 3.830) 4.279 1.963 ( -1.925 3.605 -1.698) 4.425 2.150 ( -2.798 -0.544 1.013) 3.025 2.241 ( -0.219 0.320 -2.011) 2.048 2.308 ( 2.231 2.190 -2.074) 3.752 2.418 ( -2.012 2.717 0.330) 3.397 2.429 ( -1.274 2.023 -1.285) 2.714 2.457 ( -5.113 -0.893 1.365) 5.367 2.516 ( -0.892 -4.239 -0.916) 4.427 2.543 ( -1.812 -2.465 -2.891) 4.209 2.584 ( 1.243 4.345 1.917) 4.909 2.626 ( 4.361 -1.201 1.034) 4.640 2.760 ( 0.410 -1.089 -0.901) 1.471 2.837 ( 0.851 -2.109 4.642) 5.169 2.888 ( 7.043 -3.882 1.246) 8.138 2.927 ( 3.032 0.297 1.126) 3.248 2.990 ( -3.041 6.454 -1.114) 7.221 3.059 ( -3.532 -0.694 0.585) 3.647 3.108 ( -3.262 1.522 -0.654) 3.658 3.187 ( 2.193 2.333 -1.532) 3.550 3.215 ( 4.575 4.198 0.359) 6.220 3.320 ( -0.245 -0.463 1.221) 1.328 3.352 ( 3.198 3.789 0.690) 5.006 3.468 ( -4.784 0.140 -2.395) 5.352 3.481 ( -0.788 4.203 2.112) 4.769 3.530 ( 6.487 3.453 0.504) 7.366 3.573 ( 1.829 5.289 -0.315) 5.605 3.635 ( 4.664 4.747 1.502) 6.822 3.715 ( -1.815 -0.266 -0.185) 1.843 3.768 ( 3.548 5.767 0.598) 6.798 3.802 ( 1.959 1.538 -1.864) 3.111 3.927 ( -6.138 -0.859 1.268) 6.326 3.968 ( 0.175 4.118 1.229) 4.301 4.032 ( -1.568 1.932 0.788) 2.610 4.118 ( 0.189 3.322 -2.594) 4.219 4.158 ( 4.616 -0.835 3.067) 5.605 4.273 ( 1.844 3.440 4.028) 5.609 4.374 ( 2.303 1.239 -3.395) 4.285 4.443 ( -4.014 6.930 0.383) 8.018 4.478 ( -5.925 2.735 0.159) 6.528 4.538 ( 0.941 -1.696 -4.519) 4.918 4.571 ( 7.442 -1.380 1.665) 7.750 4.684 ( -0.070 -3.219 -4.889) 5.854 4.714 ( -0.159 1.768 -2.534) 3.094 4.743 ( -6.302 -2.491 -2.310) 7.159 4.804 ( -2.680 -1.139 4.996) 5.783 4.959 ( -5.266 4.365 -2.047) 7.140 4.973 ( 3.276 0.275 1.601) 3.657 5.117 ( -1.962 0.392 -0.023) 2.001 5.199 ( -7.348 0.287 -1.287) 7.466 5.317 ( -11.120 -2.613 -1.350) 11.503 5.418 ( -2.828 -5.387 0.451) 6.101 5.480 ( -2.524 -3.714 3.791) 5.877 5.617 ( -0.120 6.863 0.847) 6.916 5.704 ( 0.410 4.186 4.112) 5.882 5.785 ( 0.735 5.166 -2.639) 5.848 5.939 ( -5.324 -4.812 1.663) 7.367 5.980 ( 1.551 -0.059 -3.524) 3.851 6.026 ( 0.689 -3.419 1.673) 3.868 6.228 ( 0.535 -2.174 -1.764) 2.850 6.260 ( -0.160 -0.344 0.524) 0.647 6.563 ( 7.842 -5.411 -0.763) 9.558 6.681 ( 3.495 -6.249 -0.439) 7.173 6.771 ( 6.898 0.147 1.016) 6.974 7.039 ( -2.656 -6.041 0.287) 6.606 9.006 ( 1.717 -0.855 0.686) 2.038 9.030 ( 0.062 -0.967 -0.895) 1.319 9.139 ( -0.786 -0.443 -0.292) 0.948 9.208 ( 0.609 -2.643 0.463) 2.751 9.423 ( 3.002 0.276 1.877) 3.551 9.444 ( 2.570 -0.842 0.152) 2.709 9.524 ( 0.386 0.991 -1.730) 2.031 9.581 ( -0.018 0.043 -0.435) 0.437 10.182 ( 1.550 0.171 0.631) 1.683 10.225 ( 0.425 -1.260 -2.006) 2.407 10.434 ( -0.169 3.614 -0.819) 3.709 10.516 ( -0.673 1.081 1.571) 2.022 11.729 ( -2.397 0.457 0.639) 2.523 11.781 ( -0.379 -0.920 -1.100) 1.484 11.981 ( 0.717 1.809 -0.171) 1.953 11.993 ( -0.550 1.668 0.783) 1.923 13.268 ( -0.421 -0.478 0.126) 0.649 13.294 ( -0.743 -1.287 -0.733) 1.657 13.343 ( -0.686 0.985 0.648) 1.364 13.416 ( 0.065 -1.136 0.583) 1.279 14.620 ( 2.380 2.286 -1.904) 3.810 14.665 ( 0.959 1.706 -1.041) 2.216 14.687 ( 0.074 2.463 1.305) 2.788 14.797 ( 1.831 0.416 0.654) 1.988 14.919 ( 3.396 1.895 -0.864) 3.984 15.027 ( -0.407 0.486 1.087) 1.258 15.054 ( -1.402 1.912 1.006) 2.575 15.118 ( -0.093 -0.805 -3.647) 3.736 15.148 ( -0.951 -0.863 1.212) 1.765 15.200 ( 1.251 -2.483 1.061) 2.976 15.399 ( -2.724 0.606 -0.024) 2.791 15.670 ( 1.153 -8.356 -0.016) 8.435 16.213 ( -2.171 1.457 0.046) 2.615 16.243 ( -2.297 0.245 0.475) 2.358 16.371 ( -0.619 1.252 0.076) 1.399 16.391 ( -0.546 0.657 -0.135) 0.865 17.531 ( -0.440 1.049 -0.192) 1.154 17.583 ( -0.842 -0.560 0.557) 1.155 17.613 ( 0.222 -0.743 -0.559) 0.956 17.637 ( -0.908 -1.448 0.274) 1.731 20.725 ( 1.171 -0.007 -0.278) 1.204 20.806 ( -2.457 -2.416 0.263) 3.456 20.958 ( 2.630 0.676 -0.089) 2.717 21.022 ( 0.829 -1.354 0.494) 1.663 25.075 ( 1.188 -2.315 -0.573) 2.665 25.104 ( 2.064 -3.129 -1.343) 3.982 25.179 ( -2.888 -0.228 -0.204) 2.904 25.702 ( 4.598 -20.318 2.164) 20.944 28.323 ( -0.711 -0.127 0.007) 0.723 28.336 ( -0.563 0.939 0.219) 1.116 28.353 ( -0.293 -1.289 -0.259) 1.347 28.386 ( -0.069 -0.386 0.015) 0.393 29.670 ( 0.391 0.934 -0.298) 1.055 29.686 ( 0.632 0.389 0.255) 0.785 29.815 ( 1.500 -0.734 0.269) 1.692 29.841 ( 0.476 -1.545 -0.194) 1.629 31.947 ( -1.421 2.880 0.364) 3.232 32.000 ( -1.976 1.604 -0.473) 2.588 32.307 ( 1.387 3.169 -0.253) 3.468 32.319 ( 1.531 2.887 -0.335) 3.285 32.480 ( 0.334 3.256 0.463) 3.306 32.535 ( 3.943 1.841 -0.315) 4.363 32.662 ( 1.679 2.464 0.356) 3.003 32.764 ( -0.016 0.607 2.864) 2.928 32.832 ( 0.174 1.215 0.657) 1.392 32.888 ( -3.780 -1.073 -2.110) 4.460 32.978 ( -4.147 -0.503 1.099) 4.319 33.011 ( -4.896 -2.574 0.732) 5.579 33.449 ( -3.767 15.928 -4.772) 17.049 34.139 ( 3.345 -8.965 -2.804) 9.971 34.261 ( 4.678 4.103 0.717) 6.264 34.507 ( -1.069 -2.927 3.613) 4.771 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 0.000 0.926 -0.000) 0.926 1.242 ( 0.000 9.454 0.000) 9.454 1.311 ( 0.000 1.745 -0.000) 1.745 1.549 ( 0.000 -0.736 0.000) 0.736 1.582 ( 0.000 0.671 0.000) 0.671 1.642 ( 0.000 3.793 -0.000) 3.793 1.837 ( 0.000 1.754 -0.000) 1.754 1.880 ( -0.000 -4.841 0.000) 4.841 2.051 ( 0.000 3.825 -0.000) 3.825 2.098 ( 0.000 -2.310 0.000) 2.310 2.193 ( 0.000 -1.346 -0.000) 1.346 2.335 ( 0.000 1.836 -0.000) 1.836 2.359 ( 0.000 4.731 0.000) 4.731 2.413 ( -0.000 4.339 0.000) 4.339 2.455 ( 0.000 -2.892 0.000) 2.892 2.475 ( 0.000 3.052 -0.000) 3.052 2.539 ( 0.000 -5.510 0.000) 5.510 2.588 ( 0.000 4.915 -0.000) 4.915 2.722 ( 0.000 0.293 0.000) 0.293 2.749 ( 0.000 -1.279 -0.000) 1.279 2.876 ( 0.000 -4.562 0.000) 4.562 2.921 ( 0.000 0.070 -0.000) 0.070 2.956 ( 0.000 13.097 0.000) 13.097 2.995 ( -0.000 -3.262 0.000) 3.262 3.038 ( 0.000 -3.914 0.000) 3.914 3.059 ( -0.000 0.187 -0.000) 0.187 3.168 ( 0.000 -3.534 -0.000) 3.534 3.305 ( 0.000 1.964 -0.000) 1.964 3.323 ( 0.000 -1.659 -0.000) 1.659 3.348 ( 0.000 0.488 -0.000) 0.488 3.423 ( -0.000 6.008 0.000) 6.008 3.441 ( 0.000 3.580 -0.000) 3.580 3.611 ( 0.000 5.333 -0.000) 5.333 3.616 ( 0.000 9.069 0.000) 9.069 3.642 ( 0.000 0.310 0.000) 0.310 3.797 ( 0.000 2.597 0.000) 2.597 3.807 ( -0.000 -2.034 -0.000) 2.034 3.825 ( 0.000 -0.560 -0.000) 0.560 3.882 ( -0.000 6.410 0.000) 6.410 3.918 ( 0.000 12.488 0.000) 12.488 3.991 ( 0.000 1.714 -0.000) 1.714 4.118 ( 0.000 4.751 0.000) 4.751 4.233 ( 0.000 -5.142 0.000) 5.142 4.295 ( 0.000 7.725 -0.000) 7.725 4.343 ( 0.000 10.346 -0.000) 10.346 4.376 ( 0.000 1.768 0.000) 1.768 4.457 ( 0.000 2.725 0.000) 2.725 4.547 ( 0.000 -2.698 -0.000) 2.698 4.628 ( 0.000 -6.845 -0.000) 6.845 4.677 ( 0.000 -7.150 0.000) 7.150 4.683 ( 0.000 0.390 -0.000) 0.390 4.745 ( 0.000 5.119 0.000) 5.119 4.771 ( -0.000 -1.079 -0.000) 1.079 4.880 ( 0.000 2.172 0.000) 2.172 5.036 ( 0.000 -2.453 0.000) 2.453 5.094 ( 0.000 -1.613 0.000) 1.613 5.120 ( 0.000 0.786 -0.000) 0.786 5.192 ( 0.000 -2.287 -0.000) 2.287 5.399 ( 0.000 -2.263 0.000) 2.263 5.466 ( 0.000 -7.762 -0.000) 7.762 5.628 ( 0.000 8.673 0.000) 8.673 5.734 ( 0.000 1.761 0.000) 1.761 5.789 ( 0.000 3.277 -0.000) 3.277 5.846 ( 0.000 -1.682 0.000) 1.682 5.999 ( 0.000 2.034 0.000) 2.034 6.034 ( 0.000 -3.845 -0.000) 3.845 6.227 ( 0.000 -3.143 0.000) 3.143 6.261 ( 0.000 0.685 -0.000) 0.685 6.644 ( -0.000 -6.618 -0.000) 6.618 6.706 ( 0.000 -7.899 0.000) 7.899 6.863 ( 0.000 0.774 0.000) 0.774 6.984 ( -0.000 -2.976 -0.000) 2.976 9.026 ( 0.000 -0.382 0.000) 0.382 9.029 ( 0.000 -1.275 -0.000) 1.275 9.129 ( 0.000 -0.437 -0.000) 0.437 9.214 ( 0.000 -2.912 -0.000) 2.912 9.467 ( 0.000 -0.741 0.000) 0.741 9.469 ( -0.000 -0.058 -0.000) 0.058 9.525 ( 0.000 0.675 -0.000) 0.675 9.572 ( 0.000 0.412 0.000) 0.412 10.209 ( 0.000 -0.408 0.000) 0.408 10.214 ( -0.000 -0.493 -0.000) 0.493 10.430 ( 0.000 3.499 0.000) 3.499 10.514 ( 0.000 1.126 0.000) 1.126 11.708 ( 0.000 0.558 -0.000) 0.558 11.775 ( 0.000 -1.250 -0.000) 1.250 11.988 ( 0.000 1.768 -0.000) 1.768 11.990 ( 0.000 2.002 0.000) 2.002 13.266 ( 0.000 -0.954 0.000) 0.954 13.283 ( 0.000 -1.365 -0.000) 1.365 13.338 ( 0.000 1.278 0.000) 1.278 13.418 ( 0.000 -1.198 0.000) 1.198 14.639 ( 0.000 2.595 0.000) 2.595 14.676 ( 0.000 1.074 0.000) 1.074 14.686 ( 0.000 3.755 -0.000) 3.755 14.814 ( 0.000 1.407 0.000) 1.407 14.970 ( -0.000 0.221 0.000) 0.221 15.019 ( 0.000 -0.237 -0.000) 0.237 15.043 ( 0.000 2.277 -0.000) 2.277 15.097 ( 0.000 -0.240 -0.000) 0.240 15.143 ( 0.000 -0.528 -0.000) 0.528 15.217 ( 0.000 -3.660 0.000) 3.660 15.371 ( 0.000 1.715 -0.000) 1.715 15.681 ( 0.000 -8.775 0.000) 8.775 16.194 ( 0.000 1.137 0.000) 1.137 16.220 ( 0.000 0.323 -0.000) 0.323 16.364 ( 0.000 1.284 0.000) 1.284 16.384 ( 0.000 0.761 -0.000) 0.761 17.526 ( 0.000 1.179 0.000) 1.179 17.576 ( 0.000 -0.600 0.000) 0.600 17.615 ( 0.000 -0.563 -0.000) 0.563 17.627 ( 0.000 -1.585 0.000) 1.585 20.753 ( 0.000 -1.688 0.000) 1.688 20.766 ( -0.000 -1.431 0.000) 1.431 20.986 ( 0.000 0.499 -0.000) 0.499 21.029 ( 0.000 -1.018 0.000) 1.018 25.085 ( 0.000 -2.423 -0.000) 2.423 25.121 ( 0.000 -3.325 0.000) 3.325 25.153 ( 0.000 0.654 0.000) 0.654 25.751 ( 0.000 -22.059 -0.000) 22.059 28.316 ( 0.000 -0.064 -0.000) 0.064 28.332 ( 0.000 1.100 0.000) 1.100 28.349 ( 0.000 -1.514 -0.000) 1.514 28.385 ( 0.000 -0.394 -0.000) 0.394 29.673 ( 0.000 1.103 -0.000) 1.103 29.693 ( 0.000 0.435 0.000) 0.435 29.834 ( 0.000 -0.997 -0.000) 0.997 29.842 ( 0.000 -1.647 -0.000) 1.647 31.935 ( 0.000 2.862 0.000) 2.862 31.978 ( 0.000 2.053 -0.000) 2.053 32.320 ( 0.000 2.625 0.000) 2.625 32.326 ( 0.000 2.828 0.000) 2.828 32.487 ( 0.000 3.235 0.000) 3.235 32.642 ( -0.000 4.459 -0.000) 4.459 32.652 ( 0.000 1.115 0.000) 1.115 32.705 ( 0.000 -1.152 -0.000) 1.152 32.858 ( 0.000 -0.077 -0.000) 0.077 32.895 ( 0.000 -3.006 -0.000) 3.006 32.897 ( -0.000 1.060 0.000) 1.060 32.966 ( 0.000 -1.066 0.000) 1.066 33.400 ( 0.000 18.117 0.000) 18.117 34.163 ( 0.000 -10.359 0.000) 10.359 34.314 ( 0.000 4.442 -0.000) 4.442 34.500 ( 0.000 -2.166 0.000) 2.166 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 0.000 8.365 0.000) 8.365 1.503 ( 0.000 -2.380 0.000) 2.380 1.688 ( 0.000 9.217 0.000) 9.217 1.722 ( 0.000 1.894 0.000) 1.894 1.774 ( 0.000 1.558 0.000) 1.558 1.808 ( 0.000 -1.512 0.000) 1.512 1.921 ( 0.000 6.070 0.000) 6.070 2.012 ( 0.000 9.168 0.000) 9.168 2.037 ( 0.000 1.997 0.000) 1.997 2.108 ( 0.000 -10.179 0.000) 10.179 2.109 ( 0.000 -0.976 0.000) 0.976 2.241 ( 0.000 -8.374 0.000) 8.374 2.324 ( 0.000 0.738 0.000) 0.738 2.363 ( 0.000 0.622 0.000) 0.622 2.470 ( 0.000 2.989 0.000) 2.989 2.531 ( 0.000 2.414 0.000) 2.414 2.571 ( 0.000 -0.587 0.000) 0.587 2.584 ( 0.000 -2.765 0.000) 2.765 2.671 ( 0.000 -2.100 0.000) 2.100 2.693 ( 0.000 -6.764 0.000) 6.764 2.754 ( 0.000 0.247 0.000) 0.247 2.793 ( 0.000 -5.315 0.000) 5.315 3.074 ( 0.000 2.984 0.000) 2.984 3.104 ( 0.000 1.605 0.000) 1.605 3.107 ( 0.000 6.862 0.000) 6.862 3.195 ( 0.000 1.727 0.000) 1.727 3.222 ( 0.000 -0.461 0.000) 0.461 3.245 ( 0.000 2.187 0.000) 2.187 3.257 ( 0.000 1.919 0.000) 1.919 3.257 ( 0.000 0.120 0.000) 0.120 3.300 ( 0.000 -3.049 0.000) 3.049 3.323 ( 0.000 -3.504 0.000) 3.504 3.531 ( 0.000 -0.668 0.000) 0.668 3.536 ( 0.000 3.797 0.000) 3.797 3.667 ( 0.000 7.027 0.000) 7.027 3.775 ( 0.000 -1.529 0.000) 1.529 3.788 ( 0.000 -1.408 0.000) 1.408 3.846 ( 0.000 -8.724 0.000) 8.724 3.918 ( 0.000 11.448 0.000) 11.448 4.021 ( 0.000 1.588 0.000) 1.588 4.140 ( 0.000 3.145 0.000) 3.145 4.167 ( 0.000 -3.180 0.000) 3.180 4.213 ( 0.000 0.396 0.000) 0.396 4.221 ( 0.000 2.900 0.000) 2.900 4.306 ( 0.000 -0.099 0.000) 0.099 4.321 ( 0.000 2.128 0.000) 2.128 4.531 ( 0.000 -1.591 0.000) 1.591 4.560 ( 0.000 3.270 0.000) 3.270 4.594 ( 0.000 -0.567 0.000) 0.567 4.620 ( 0.000 -3.926 0.000) 3.926 4.740 ( 0.000 -2.166 0.000) 2.166 4.764 ( 0.000 -1.689 0.000) 1.689 5.002 ( 0.000 6.215 0.000) 6.215 5.032 ( 0.000 2.823 0.000) 2.823 5.132 ( 0.000 2.013 0.000) 2.013 5.192 ( 0.000 -4.531 0.000) 4.531 5.536 ( 0.000 0.578 0.000) 0.578 5.568 ( 0.000 -4.650 0.000) 4.650 5.625 ( 0.000 3.516 0.000) 3.516 5.669 ( 0.000 -0.583 0.000) 0.583 5.704 ( 0.000 5.431 0.000) 5.431 5.794 ( 0.000 -1.785 0.000) 1.785 5.820 ( 0.000 1.263 0.000) 1.263 5.877 ( 0.000 1.952 0.000) 1.952 5.912 ( 0.000 -1.861 0.000) 1.861 5.952 ( 0.000 2.493 0.000) 2.493 6.151 ( 0.000 -1.224 0.000) 1.224 6.187 ( 0.000 -3.942 0.000) 3.942 6.274 ( 0.000 -0.096 0.000) 0.096 6.350 ( 0.000 -7.316 0.000) 7.316 6.683 ( 0.000 7.023 0.000) 7.023 6.837 ( 0.000 -8.665 0.000) 8.665 8.959 ( 0.000 0.909 0.000) 0.909 8.988 ( 0.000 -2.050 0.000) 2.050 9.162 ( 0.000 0.336 0.000) 0.336 9.167 ( 0.000 -0.137 0.000) 0.137 9.358 ( 0.000 0.047 0.000) 0.047 9.361 ( 0.000 -0.293 0.000) 0.293 9.538 ( 0.000 0.810 0.000) 0.810 9.554 ( 0.000 -0.767 0.000) 0.767 10.160 ( 0.000 1.029 0.000) 1.029 10.183 ( 0.000 -1.358 0.000) 1.358 10.506 ( 0.000 2.026 0.000) 2.026 10.529 ( 0.000 -0.385 0.000) 0.385 11.799 ( 0.000 0.166 0.000) 0.166 11.804 ( 0.000 -0.447 0.000) 0.447 11.991 ( 0.000 1.356 0.000) 1.356 12.006 ( 0.000 -0.221 0.000) 0.221 13.306 ( 0.000 0.154 0.000) 0.154 13.307 ( 0.000 0.218 0.000) 0.218 13.367 ( 0.000 0.302 0.000) 0.302 13.380 ( 0.000 -0.942 0.000) 0.942 14.600 ( 0.000 0.911 0.000) 0.911 14.606 ( 0.000 0.205 0.000) 0.205 14.730 ( 0.000 1.690 0.000) 1.690 14.750 ( 0.000 -0.370 0.000) 0.370 14.926 ( 0.000 4.563 0.000) 4.563 15.016 ( 0.000 -4.170 0.000) 4.170 15.107 ( 0.000 0.863 0.000) 0.863 15.121 ( 0.000 -0.507 0.000) 0.507 15.138 ( 0.000 0.760 0.000) 0.760 15.152 ( 0.000 -0.866 0.000) 0.866 15.474 ( 0.000 1.093 0.000) 1.093 15.527 ( 0.000 -4.129 0.000) 4.129 16.313 ( 0.000 0.050 0.000) 0.050 16.313 ( 0.000 0.053 0.000) 0.053 16.396 ( 0.000 0.733 0.000) 0.733 16.402 ( 0.000 0.135 0.000) 0.135 17.564 ( 0.000 0.930 0.000) 0.930 17.584 ( 0.000 -1.182 0.000) 1.182 17.614 ( 0.000 0.586 0.000) 0.586 17.630 ( 0.000 -1.125 0.000) 1.125 20.787 ( 0.000 1.711 0.000) 1.711 20.808 ( 0.000 -0.273 0.000) 0.273 20.913 ( 0.000 -0.922 0.000) 0.922 20.915 ( 0.000 -1.036 0.000) 1.036 25.019 ( 0.000 -0.343 0.000) 0.343 25.024 ( 0.000 -0.975 0.000) 0.975 25.270 ( 0.000 -1.899 0.000) 1.899 25.296 ( 0.000 -4.622 0.000) 4.622 28.344 ( 0.000 0.315 0.000) 0.315 28.352 ( 0.000 -0.486 0.000) 0.486 28.367 ( 0.000 0.451 0.000) 0.451 28.376 ( 0.000 -0.439 0.000) 0.439 29.663 ( 0.000 0.654 0.000) 0.654 29.673 ( 0.000 -0.340 0.000) 0.340 29.779 ( 0.000 0.732 0.000) 0.732 29.799 ( 0.000 -1.247 0.000) 1.247 32.044 ( 0.000 1.344 0.000) 1.344 32.059 ( 0.000 -0.310 0.000) 0.310 32.284 ( 0.000 2.725 0.000) 2.725 32.309 ( 0.000 0.373 0.000) 0.373 32.516 ( 0.000 0.819 0.000) 0.819 32.532 ( 0.000 -1.112 0.000) 1.112 32.667 ( 0.000 3.810 0.000) 3.810 32.713 ( 0.000 -0.513 0.000) 0.513 32.889 ( 0.000 1.526 0.000) 1.526 32.940 ( 0.000 -3.846 0.000) 3.846 33.089 ( 0.000 -0.447 0.000) 0.447 33.091 ( 0.000 -0.187 0.000) 0.187 33.793 ( 0.000 7.667 0.000) 7.667 33.928 ( 0.000 -6.384 0.000) 6.384 34.246 ( 0.000 7.456 0.000) 7.456 34.376 ( 0.000 -5.739 0.000) 5.739 ======================= Grid point 29 (18/70) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -0.949 6.255 -1.955) 6.622 1.458 ( -4.095 -1.284 0.525) 4.323 1.587 ( -8.342 5.545 0.599) 10.035 1.666 ( -8.954 -0.613 -1.597) 9.116 1.758 ( -4.928 6.922 2.144) 8.763 1.805 ( 3.473 4.928 -1.464) 6.204 1.859 ( -2.704 -0.525 0.130) 2.757 1.928 ( -6.449 5.380 -0.763) 8.433 2.045 ( -4.402 -2.773 4.887) 7.138 2.117 ( 6.067 0.759 -4.080) 7.350 2.178 ( 3.290 -2.951 -1.184) 4.575 2.260 ( 3.416 -7.730 0.491) 8.465 2.380 ( 1.779 3.527 3.422) 5.226 2.428 ( 0.604 0.608 0.716) 1.117 2.446 ( 0.421 -2.572 5.045) 5.679 2.501 ( -1.380 -2.297 -1.135) 2.910 2.566 ( -5.502 -4.111 -3.618) 7.763 2.578 ( 0.274 0.183 -1.785) 1.815 2.608 ( -3.199 -1.432 -3.496) 4.950 2.652 ( 2.459 -3.120 1.017) 4.101 2.769 ( 0.994 0.823 2.107) 2.471 2.799 ( 0.611 -2.090 -0.233) 2.190 3.023 ( -3.711 5.568 0.821) 6.741 3.105 ( 1.886 4.703 -3.167) 5.975 3.142 ( -5.264 1.294 -1.880) 5.737 3.151 ( 0.307 -3.694 1.166) 3.886 3.199 ( 2.739 2.074 -1.964) 3.957 3.249 ( 1.954 -1.524 0.659) 2.564 3.308 ( 1.654 6.610 2.024) 7.108 3.317 ( 6.118 3.101 2.129) 7.182 3.374 ( 4.435 -2.269 2.899) 5.764 3.424 ( 5.927 -3.572 0.118) 6.921 3.545 ( 2.688 0.152 0.345) 2.715 3.576 ( 5.217 0.390 -1.243) 5.378 3.659 ( -3.777 5.134 0.819) 6.426 3.716 ( -2.200 -2.213 -1.871) 3.638 3.780 ( 1.004 2.176 1.307) 2.730 3.868 ( 1.156 -1.341 -0.638) 1.882 3.954 ( 2.832 3.687 1.498) 4.885 4.014 ( -0.729 1.342 -1.209) 1.948 4.134 ( -0.541 3.492 -4.277) 5.548 4.174 ( -3.606 4.158 0.355) 5.515 4.227 ( 1.070 -0.668 -1.012) 1.617 4.235 ( 1.203 -1.675 4.928) 5.342 4.326 ( 4.547 1.766 0.126) 4.880 4.361 ( 5.703 -2.463 -2.439) 6.674 4.483 ( -2.148 1.863 -0.789) 2.951 4.548 ( -2.641 0.702 -1.108) 2.949 4.573 ( -0.735 0.968 -0.932) 1.532 4.648 ( 0.476 -5.141 2.124) 5.583 4.734 ( -0.795 -2.630 1.168) 2.986 4.741 ( -1.798 -1.813 -1.712) 3.074 4.986 ( -3.056 5.448 0.742) 6.291 5.006 ( -1.827 4.879 0.502) 5.234 5.115 ( -1.788 1.763 0.282) 2.527 5.167 ( -2.655 -3.434 -0.453) 4.364 5.416 ( -10.495 0.031 -1.568) 10.612 5.441 ( -10.646 0.374 1.434) 10.748 5.476 ( -12.484 -2.238 0.487) 12.692 5.524 ( -11.435 -3.356 1.853) 12.060 5.735 ( 0.584 6.079 -0.518) 6.129 5.790 ( 1.437 3.510 0.654) 3.848 5.837 ( 1.051 -1.138 -0.889) 1.786 5.885 ( -0.875 -5.225 -1.529) 5.514 5.956 ( 4.393 5.157 0.066) 6.774 5.996 ( 1.727 1.384 2.326) 3.210 6.176 ( 1.208 -1.805 -0.382) 2.205 6.203 ( 0.474 -3.606 0.972) 3.765 6.359 ( 8.666 0.192 -2.209) 8.945 6.431 ( 7.645 -6.965 -1.129) 10.403 6.730 ( 4.362 6.379 0.778) 7.766 6.873 ( 3.064 -8.299 0.293) 8.852 8.972 ( 1.270 0.667 0.142) 1.441 8.995 ( 0.811 -1.704 -0.218) 1.899 9.157 ( -0.518 0.478 -0.295) 0.764 9.168 ( 0.046 -0.669 -0.048) 0.672 9.377 ( 1.777 0.272 1.141) 2.129 9.383 ( 2.234 -0.450 0.078) 2.280 9.542 ( 0.654 1.076 -0.779) 1.481 9.563 ( 0.765 -0.900 -0.045) 1.182 10.169 ( 0.945 0.949 -0.067) 1.341 10.191 ( 0.909 -1.278 -0.694) 1.715 10.501 ( -0.452 2.119 -0.206) 2.176 10.526 ( -0.504 -0.497 0.758) 1.038 11.780 ( -1.923 0.315 0.034) 1.949 11.788 ( -1.228 -0.492 -0.741) 1.516 11.997 ( 0.527 1.174 0.207) 1.304 12.009 ( 0.116 -0.040 0.490) 0.505 13.288 ( -1.226 0.437 -0.435) 1.372 13.298 ( -1.052 -0.520 -0.420) 1.247 13.367 ( -0.123 0.913 0.619) 1.110 13.387 ( 0.297 -1.137 0.686) 1.361 14.619 ( 2.474 1.384 -1.468) 3.192 14.634 ( 2.953 -0.193 -1.172) 3.183 14.734 ( 0.218 2.147 0.792) 2.299 14.760 ( 0.921 -0.580 0.576) 1.231 14.939 ( 1.140 3.903 0.454) 4.092 15.014 ( -0.575 -3.279 1.433) 3.625 15.102 ( -0.454 1.379 0.078) 1.454 15.123 ( -0.024 -0.205 0.172) 0.269 15.141 ( 0.710 -0.174 -1.877) 2.014 15.149 ( -0.452 -0.986 0.831) 1.366 15.459 ( -1.410 1.755 -0.247) 2.265 15.525 ( -0.096 -4.966 -0.210) 4.972 16.283 ( -2.723 0.464 0.142) 2.766 16.288 ( -2.399 -0.075 0.197) 2.408 16.397 ( -0.161 0.648 -0.003) 0.668 16.403 ( -0.096 -0.010 -0.087) 0.130 17.559 ( -0.440 0.960 -0.099) 1.061 17.579 ( -0.497 -1.099 -0.058) 1.208 17.611 ( -0.284 0.456 0.081) 0.543 17.626 ( -0.482 -1.061 0.114) 1.171 20.758 ( -1.776 1.928 -0.245) 2.633 20.797 ( -1.661 -2.052 0.024) 2.640 20.927 ( 2.437 1.150 0.013) 2.695 20.956 ( 2.537 -1.713 0.304) 3.077 25.029 ( 1.173 -0.442 -0.864) 1.523 25.035 ( 1.081 -1.123 0.163) 1.567 25.241 ( -1.561 1.719 -0.098) 2.324 25.339 ( 2.685 -8.545 0.788) 8.992 28.338 ( -0.642 0.274 -0.015) 0.698 28.345 ( -0.603 -0.500 -0.091) 0.789 28.363 ( -0.338 0.692 0.030) 0.771 28.376 ( -0.040 -0.608 0.095) 0.616 29.672 ( 0.768 0.568 0.139) 0.965 29.679 ( 0.601 -0.115 -0.201) 0.644 29.787 ( 0.818 0.464 0.163) 0.955 29.804 ( 0.580 -1.209 -0.099) 1.344 32.024 ( -1.744 1.677 0.102) 2.422 32.044 ( -1.476 -0.380 -0.069) 1.526 32.314 ( 2.733 2.059 -0.101) 3.423 32.328 ( 1.821 0.726 -0.432) 2.008 32.516 ( 0.164 0.934 0.321) 1.001 32.529 ( -0.049 -0.516 -0.503) 0.722 32.672 ( 0.868 3.475 -0.030) 3.582 32.727 ( 0.974 -1.571 0.801) 2.014 32.874 ( -1.430 1.695 0.929) 2.404 32.918 ( -2.349 -3.025 0.208) 3.836 33.052 ( -4.011 -0.183 0.427) 4.038 33.056 ( -3.590 -0.686 -0.351) 3.672 33.769 ( -1.472 9.725 -2.427) 10.130 33.937 ( 1.461 -7.861 -2.261) 8.309 34.286 ( 3.520 6.762 1.131) 7.706 34.404 ( 1.945 -5.230 2.206) 6.000 ======================= Grid point 30 (19/70) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -5.141 2.822 -1.877) 6.158 1.372 ( -6.218 -1.793 -1.573) 6.660 1.437 ( -5.436 6.459 0.999) 8.501 1.528 ( -2.321 -0.814 2.270) 3.347 1.672 ( -4.888 7.306 0.962) 8.843 1.773 ( -7.768 -1.288 -1.999) 8.124 1.820 ( -0.987 -0.122 -2.083) 2.308 1.856 ( -0.242 -3.179 1.208) 3.409 2.038 ( 2.580 7.191 2.138) 7.933 2.183 ( -2.040 4.354 0.436) 4.828 2.190 ( 2.362 -5.522 -4.160) 7.306 2.303 ( -6.248 -4.087 0.181) 7.468 2.358 ( 4.730 -3.375 2.494) 6.323 2.401 ( 0.321 -4.264 -1.694) 4.599 2.453 ( -0.904 1.276 -1.815) 2.396 2.483 ( -0.694 -1.503 -2.880) 3.322 2.523 ( -0.936 4.295 -0.248) 4.402 2.602 ( 1.843 -2.538 0.072) 3.137 2.647 ( 7.146 1.517 1.981) 7.569 2.744 ( 6.514 -6.922 0.230) 9.508 2.783 ( 0.415 2.217 4.681) 5.197 2.827 ( 1.379 -1.827 2.033) 3.061 2.960 ( -3.521 4.068 -0.082) 5.381 3.019 ( -5.217 -1.117 -1.579) 5.564 3.098 ( -0.241 2.629 -1.009) 2.827 3.165 ( -0.704 -3.371 -1.159) 3.634 3.258 ( -2.864 9.570 2.279) 10.246 3.299 ( 3.486 2.915 -1.080) 4.670 3.333 ( 1.328 1.411 -0.179) 1.946 3.393 ( 1.966 -1.082 0.989) 2.452 3.442 ( -3.172 -0.673 -0.590) 3.296 3.488 ( 6.300 -2.114 1.732) 6.867 3.588 ( -0.932 4.161 2.139) 4.771 3.641 ( 6.377 2.835 2.281) 7.342 3.689 ( -0.628 -3.346 2.907) 4.477 3.705 ( 7.387 -2.361 -1.228) 7.852 3.847 ( 1.309 4.191 -2.206) 4.914 3.877 ( 0.613 2.244 -1.275) 2.653 3.951 ( 0.826 6.256 1.067) 6.400 4.040 ( -1.585 0.588 -4.690) 4.985 4.083 ( 1.244 -0.262 1.948) 2.326 4.110 ( -2.780 3.541 -0.258) 4.509 4.203 ( -1.174 0.226 -4.485) 4.641 4.288 ( 2.142 -3.036 5.393) 6.549 4.415 ( 3.259 1.935 -3.117) 4.907 4.457 ( 3.974 -3.082 -5.812) 7.686 4.470 ( 0.898 1.851 0.614) 2.147 4.530 ( -0.171 -0.056 3.956) 3.960 4.534 ( -0.739 0.057 -4.043) 4.111 4.622 ( -4.588 -6.885 1.323) 8.379 4.716 ( 1.190 1.983 0.678) 2.410 4.744 ( 1.560 -0.130 2.172) 2.677 4.913 ( -4.085 9.506 0.066) 10.346 4.978 ( -1.826 1.878 0.664) 2.702 5.069 ( -5.443 4.186 1.044) 6.945 5.094 ( -3.086 -2.042 -1.980) 4.197 5.214 ( -9.743 -0.278 2.426) 10.045 5.236 ( -9.852 -5.972 -3.110) 11.933 5.297 ( -5.022 -1.600 0.857) 5.339 5.376 ( -6.502 -7.004 2.244) 9.817 5.752 ( 1.074 6.451 0.998) 6.615 5.805 ( -0.671 3.752 -0.154) 3.815 5.855 ( -0.348 -2.680 -0.849) 2.833 5.857 ( 1.172 0.280 -0.892) 1.499 6.006 ( 0.943 3.214 -0.343) 3.367 6.023 ( 0.714 1.114 0.989) 1.652 6.177 ( -0.429 -1.612 -0.478) 1.735 6.217 ( 0.391 -3.932 1.176) 4.123 6.499 ( 6.498 -0.632 -1.438) 6.685 6.546 ( 4.609 -5.387 -0.937) 7.151 6.822 ( 4.610 3.810 0.856) 6.042 6.918 ( 1.162 -5.956 0.099) 6.069 8.999 ( 1.361 0.114 0.103) 1.370 9.010 ( 0.793 -0.934 -0.378) 1.282 9.143 ( -0.765 0.784 -0.043) 1.096 9.166 ( -0.197 -1.640 0.125) 1.657 9.428 ( 2.752 0.155 0.965) 2.921 9.432 ( 2.619 -0.389 0.319) 2.667 9.549 ( 0.361 1.380 -0.830) 1.650 9.572 ( 0.156 -0.930 -0.302) 0.990 10.190 ( 1.161 0.602 0.134) 1.315 10.204 ( 0.837 -0.879 -0.894) 1.508 10.491 ( -0.403 2.238 -0.170) 2.281 10.520 ( -0.507 -0.684 0.714) 1.111 11.743 ( -1.800 0.892 0.038) 2.010 11.762 ( -1.097 -1.019 -0.558) 1.598 12.008 ( 0.461 0.874 0.092) 0.992 12.013 ( 0.042 0.352 0.416) 0.547 13.266 ( -0.862 0.211 -0.187) 0.907 13.275 ( -0.992 -0.700 -0.391) 1.275 13.367 ( -0.200 1.363 0.512) 1.470 13.393 ( -0.009 -1.288 0.492) 1.379 14.662 ( 2.530 1.746 -1.454) 3.401 14.679 ( 1.978 -0.002 -0.929) 2.185 14.747 ( 0.803 2.919 0.549) 3.077 14.789 ( 1.875 -1.276 0.191) 2.276 14.964 ( 1.256 2.574 0.590) 2.924 15.012 ( -0.556 -2.039 1.521) 2.604 15.095 ( -0.396 2.329 0.570) 2.431 15.119 ( -0.183 0.465 -1.073) 1.184 15.137 ( -0.206 -0.382 -0.892) 0.992 15.151 ( -0.080 -2.403 0.989) 2.600 15.431 ( -1.263 2.965 -0.351) 3.242 15.522 ( -0.008 -6.454 -0.320) 6.462 16.234 ( -2.257 0.743 0.116) 2.379 16.243 ( -2.237 -0.193 0.255) 2.260 16.389 ( -0.566 0.628 -0.044) 0.847 16.396 ( -0.523 -0.087 -0.047) 0.532 17.550 ( -0.327 0.995 -0.113) 1.054 17.569 ( -0.473 -0.869 -0.043) 0.990 17.606 ( -0.261 0.091 0.068) 0.285 17.615 ( -0.694 -0.845 0.125) 1.101 20.736 ( -0.464 1.056 -0.148) 1.162 20.764 ( -1.675 -1.831 -0.002) 2.482 20.974 ( 2.188 0.996 0.031) 2.404 20.996 ( 1.518 -1.251 0.211) 1.979 25.047 ( 1.044 -0.463 -0.451) 1.228 25.058 ( 1.171 -1.551 -0.261) 1.961 25.221 ( -0.697 4.921 0.055) 4.970 25.385 ( 1.740 -12.302 0.654) 12.442 28.325 ( -0.621 0.308 -0.045) 0.695 28.334 ( -0.522 -0.634 -0.047) 0.823 28.357 ( -0.319 1.003 0.031) 1.052 28.375 ( -0.149 -0.780 0.077) 0.797 29.686 ( 0.643 0.609 -0.087) 0.890 29.691 ( 0.711 0.078 0.040) 0.716 29.805 ( 0.910 -0.099 0.107) 0.921 29.815 ( 0.478 -1.053 -0.059) 1.158 31.995 ( -1.312 1.852 0.105) 2.272 32.015 ( -1.425 -0.147 -0.158) 1.441 32.351 ( 0.932 1.306 -0.538) 1.692 32.355 ( 1.286 0.838 -0.821) 1.741 32.531 ( 1.088 1.831 0.480) 2.183 32.550 ( 3.237 -0.150 0.248) 3.250 32.700 ( 1.758 1.879 0.734) 2.676 32.740 ( -0.482 -2.170 0.448) 2.268 32.852 ( -2.186 0.970 0.258) 2.405 32.871 ( -1.681 -0.857 0.336) 1.916 32.966 ( -4.927 -0.096 0.212) 4.932 32.979 ( -3.834 -1.169 0.436) 4.032 33.732 ( -0.854 12.908 -2.668) 13.209 33.952 ( 1.221 -10.148 -2.128) 10.440 34.361 ( 3.483 5.168 0.912) 6.299 34.447 ( 1.104 -3.633 2.094) 4.336 ======================= Grid point 31 (20/70) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 0.000 2.301 0.000) 2.301 1.287 ( 0.000 -1.914 -0.000) 1.914 1.417 ( 0.000 8.356 -0.000) 8.356 1.579 ( -0.000 -5.131 -0.000) 5.131 1.586 ( 0.000 3.855 0.000) 3.855 1.663 ( 0.000 -3.394 -0.000) 3.394 1.817 ( 0.000 1.446 -0.000) 1.446 1.848 ( -0.000 -0.535 0.000) 0.535 2.117 ( 0.000 2.956 0.000) 2.956 2.121 ( -0.000 4.455 -0.000) 4.455 2.174 ( 0.000 -0.606 -0.000) 0.606 2.263 ( 0.000 -6.430 0.000) 6.430 2.402 ( 0.000 -0.842 0.000) 0.842 2.424 ( 0.000 -0.137 -0.000) 0.137 2.440 ( 0.000 -1.011 -0.000) 1.011 2.461 ( 0.000 -2.073 0.000) 2.073 2.512 ( 0.000 5.260 0.000) 5.260 2.616 ( 0.000 -4.657 -0.000) 4.657 2.756 ( -0.000 1.398 0.000) 1.398 2.764 ( 0.000 1.032 -0.000) 1.032 2.859 ( 0.000 3.311 0.000) 3.311 2.883 ( 0.000 -3.441 -0.000) 3.441 2.915 ( -0.000 -4.045 -0.000) 4.045 2.943 ( 0.000 -1.703 -0.000) 1.703 3.090 ( 0.000 2.357 0.000) 2.357 3.138 ( 0.000 -1.742 -0.000) 1.742 3.226 ( 0.000 10.341 0.000) 10.341 3.311 ( -0.000 1.423 0.000) 1.423 3.324 ( 0.000 -0.765 -0.000) 0.765 3.353 ( 0.000 -1.095 -0.000) 1.095 3.488 ( 0.000 2.501 -0.000) 2.501 3.537 ( 0.000 3.441 0.000) 3.441 3.596 ( 0.000 -1.315 0.000) 1.315 3.684 ( 0.000 -4.072 -0.000) 4.072 3.759 ( -0.000 10.468 0.000) 10.468 3.806 ( -0.000 0.414 -0.000) 0.414 3.809 ( 0.000 1.382 0.000) 1.382 3.862 ( 0.000 4.458 -0.000) 4.458 3.976 ( -0.000 -0.583 -0.000) 0.583 4.025 ( 0.000 -7.180 0.000) 7.180 4.040 ( 0.000 5.470 -0.000) 5.470 4.137 ( 0.000 -3.842 0.000) 3.842 4.169 ( 0.000 6.924 0.000) 6.924 4.340 ( 0.000 -5.651 0.000) 5.651 4.439 ( -0.000 4.749 -0.000) 4.749 4.456 ( 0.000 -1.054 0.000) 1.054 4.489 ( 0.000 -2.662 0.000) 2.662 4.509 ( -0.000 -1.214 -0.000) 1.214 4.534 ( 0.000 2.277 0.000) 2.277 4.563 ( 0.000 -2.611 0.000) 2.611 4.762 ( 0.000 2.668 0.000) 2.668 4.810 ( 0.000 -1.538 0.000) 1.538 4.840 ( -0.000 13.470 -0.000) 13.470 4.946 ( 0.000 6.616 0.000) 6.616 4.995 ( 0.000 -0.998 0.000) 0.998 5.058 ( 0.000 -1.076 0.000) 1.076 5.115 ( 0.000 -6.874 -0.000) 6.874 5.155 ( 0.000 -2.150 -0.000) 2.150 5.267 ( 0.000 -6.360 -0.000) 6.360 5.309 ( 0.000 -6.055 0.000) 6.055 5.776 ( -0.000 5.238 -0.000) 5.238 5.781 ( 0.000 2.763 0.000) 2.763 5.849 ( 0.000 1.800 0.000) 1.800 5.874 ( 0.000 0.749 -0.000) 0.749 6.008 ( 0.000 1.482 0.000) 1.482 6.032 ( 0.000 1.113 -0.000) 1.113 6.170 ( 0.000 -1.085 0.000) 1.085 6.224 ( 0.000 -4.126 -0.000) 4.126 6.558 ( 0.000 -1.745 -0.000) 1.745 6.583 ( 0.000 -4.199 0.000) 4.199 6.878 ( 0.000 1.140 0.000) 1.140 6.919 ( -0.000 -3.124 -0.000) 3.124 9.013 ( 0.000 -0.285 0.000) 0.285 9.016 ( 0.000 -0.463 -0.000) 0.463 9.134 ( 0.000 0.987 -0.000) 0.987 9.164 ( 0.000 -2.073 -0.000) 2.073 9.460 ( 0.000 -0.048 0.000) 0.048 9.464 ( 0.000 -0.352 -0.000) 0.352 9.548 ( 0.000 1.338 -0.000) 1.338 9.569 ( 0.000 -0.706 0.000) 0.706 10.205 ( 0.000 -0.006 0.000) 0.006 10.207 ( -0.000 -0.212 -0.000) 0.212 10.487 ( 0.000 2.267 0.000) 2.267 10.517 ( 0.000 -0.763 0.000) 0.763 11.725 ( 0.000 1.147 0.000) 1.147 11.750 ( 0.000 -1.305 -0.000) 1.305 12.012 ( 0.000 0.738 -0.000) 0.738 12.014 ( 0.000 0.560 0.000) 0.560 13.258 ( 0.000 -0.005 0.000) 0.005 13.264 ( 0.000 -0.630 -0.000) 0.630 13.366 ( 0.000 1.499 0.000) 1.499 13.394 ( 0.000 -1.342 -0.000) 1.342 14.683 ( 0.000 1.609 0.000) 1.609 14.694 ( 0.000 0.438 -0.000) 0.438 14.758 ( 0.000 3.511 0.000) 3.511 14.811 ( 0.000 -1.642 -0.000) 1.642 14.985 ( -0.000 1.044 0.000) 1.044 15.005 ( 0.000 -0.986 -0.000) 0.986 15.093 ( 0.000 2.830 -0.000) 2.830 15.112 ( 0.000 1.222 -0.000) 1.222 15.131 ( 0.000 -0.774 0.000) 0.774 15.152 ( 0.000 -3.130 0.000) 3.130 15.417 ( 0.000 3.586 -0.000) 3.586 15.522 ( 0.000 -7.147 0.000) 7.147 16.213 ( 0.000 0.724 0.000) 0.724 16.221 ( 0.000 -0.176 -0.000) 0.176 16.382 ( 0.000 0.659 0.000) 0.659 16.390 ( 0.000 -0.106 -0.000) 0.106 17.547 ( 0.000 1.004 -0.000) 1.004 17.564 ( 0.000 -0.702 0.000) 0.702 17.605 ( 0.000 -0.346 -0.000) 0.346 17.606 ( -0.000 -0.517 0.000) 0.517 20.736 ( 0.000 -0.128 0.000) 0.128 20.744 ( -0.000 -0.837 0.000) 0.837 20.996 ( 0.000 0.609 -0.000) 0.609 21.010 ( 0.000 -0.849 0.000) 0.849 25.056 ( 0.000 -0.476 -0.000) 0.476 25.069 ( 0.000 -1.748 0.000) 1.748 25.215 ( 0.000 6.066 0.000) 6.066 25.403 ( 0.000 -13.692 -0.000) 13.692 28.319 ( 0.000 0.345 -0.000) 0.345 28.329 ( 0.000 -0.719 0.000) 0.719 28.354 ( 0.000 1.125 -0.000) 1.125 28.373 ( 0.000 -0.833 -0.000) 0.833 29.692 ( 0.000 0.750 -0.000) 0.750 29.699 ( 0.000 0.040 0.000) 0.040 29.817 ( -0.260 -0.681 -0.015) 0.729 29.817 ( 0.260 -0.658 0.015) 0.708 31.983 ( 0.000 1.807 0.000) 1.807 32.000 ( 0.000 0.094 -0.000) 0.094 32.356 ( 0.000 1.152 0.000) 1.152 32.361 ( 0.000 0.698 -0.000) 0.698 32.548 ( 0.000 3.115 -0.000) 3.115 32.611 ( 0.000 -3.379 0.000) 3.379 32.709 ( 0.000 2.486 -0.000) 2.486 32.724 ( 0.000 1.179 -0.000) 1.179 32.841 ( 0.000 -1.862 0.000) 1.862 32.841 ( -0.000 -1.289 -0.000) 1.289 32.919 ( 0.000 1.205 -0.000) 1.205 32.943 ( -0.000 -1.244 -0.000) 1.244 33.717 ( 0.000 14.224 0.000) 14.224 33.958 ( 0.000 -11.078 0.000) 11.078 34.399 ( 0.000 3.984 -0.000) 3.984 34.460 ( 0.000 -2.342 0.000) 2.342 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 27.676 0.000 25.405) 37.568 0.559 ( -0.721 0.000 30.357) 30.366 0.825 ( 2.149 0.000 44.898) 44.949 1.319 ( -16.308 0.000 -18.312) 24.521 1.477 ( -3.925 0.000 -0.505) 3.957 1.594 ( -1.549 0.000 -0.349) 1.588 1.860 ( -0.299 0.000 -0.138) 0.329 1.929 ( 2.940 0.000 3.804) 4.808 1.948 ( -5.653 0.000 1.063) 5.753 2.113 ( -9.199 0.000 -19.767) 21.803 2.136 ( -0.901 0.000 1.804) 2.017 2.191 ( 2.306 0.000 -2.591) 3.468 2.267 ( -0.338 0.000 -4.777) 4.789 2.341 ( -0.271 0.000 -13.967) 13.969 2.407 ( 1.787 0.000 7.979) 8.177 2.509 ( 4.701 0.000 5.149) 6.973 2.574 ( -2.552 0.000 -0.274) 2.567 2.611 ( 2.509 0.000 4.685) 5.315 2.656 ( 7.718 0.000 -3.296) 8.392 2.788 ( 3.326 0.000 1.293) 3.569 2.845 ( -4.063 0.000 -2.194) 4.617 2.849 ( -8.530 0.000 3.340) 9.161 2.968 ( -24.712 0.000 -0.585) 24.719 2.993 ( 4.929 0.000 7.843) 9.263 3.037 ( -4.719 0.000 0.778) 4.782 3.098 ( -2.066 0.000 -1.614) 2.621 3.120 ( 1.418 0.000 -1.946) 2.407 3.186 ( 8.257 0.000 6.395) 10.444 3.195 ( -1.245 0.000 3.476) 3.692 3.283 ( -0.976 0.000 -0.272) 1.014 3.284 ( 1.435 0.000 -1.204) 1.873 3.299 ( -0.142 0.000 -4.708) 4.710 3.361 ( -0.173 0.000 -0.885) 0.902 3.480 ( -3.788 0.000 -3.941) 5.466 3.569 ( 2.254 0.000 2.966) 3.725 3.580 ( -3.749 0.000 -2.204) 4.349 3.600 ( 3.036 0.000 -6.372) 7.058 3.716 ( -3.998 0.000 -3.607) 5.384 3.801 ( -1.688 0.000 -0.109) 1.691 3.923 ( 0.421 0.000 -4.780) 4.799 3.938 ( 4.877 0.000 -1.627) 5.141 3.995 ( -2.735 0.000 0.072) 2.736 4.028 ( 4.795 0.000 5.577) 7.355 4.258 ( -2.488 0.000 -4.167) 4.853 4.332 ( 2.152 0.000 1.525) 2.638 4.368 ( -1.016 0.000 -2.735) 2.918 4.380 ( -4.571 0.000 2.584) 5.251 4.598 ( 2.475 0.000 10.182) 10.478 4.643 ( 1.473 0.000 2.815) 3.177 4.671 ( -1.337 0.000 -10.832) 10.914 4.723 ( 2.869 0.000 7.219) 7.768 4.830 ( -1.104 0.000 -4.424) 4.560 4.847 ( 0.207 0.000 -2.171) 2.181 4.894 ( -0.060 0.000 -1.012) 1.014 5.008 ( 2.735 0.000 2.879) 3.971 5.028 ( -5.363 0.000 1.752) 5.642 5.276 ( 0.537 0.000 2.557) 2.613 5.354 ( 1.124 0.000 -3.158) 3.352 5.513 ( -1.573 0.000 3.143) 3.515 5.543 ( -2.142 0.000 -0.491) 2.197 5.630 ( -0.625 0.000 -0.632) 0.889 5.677 ( 10.071 0.000 -1.135) 10.134 5.700 ( 5.157 0.000 0.861) 5.229 5.738 ( -1.969 0.000 -0.338) 1.997 6.003 ( -0.380 0.000 -5.269) 5.282 6.011 ( 7.986 0.000 -5.840) 9.893 6.324 ( -2.570 0.000 8.725) 9.096 6.340 ( -5.436 0.000 8.813) 10.354 6.655 ( -2.167 0.000 0.621) 2.254 6.665 ( 0.713 0.000 -0.724) 1.016 7.001 ( -6.001 0.000 2.116) 6.364 7.236 ( 41.299 0.000 -7.800) 42.029 9.001 ( 0.545 0.000 2.251) 2.316 9.127 ( -3.520 0.000 -4.029) 5.350 9.248 ( -3.886 0.000 0.573) 3.928 9.257 ( 5.393 0.000 1.388) 5.569 9.345 ( 1.714 0.000 -0.300) 1.740 9.430 ( 0.575 0.000 -3.521) 3.568 9.484 ( -3.163 0.000 2.617) 4.106 9.523 ( 1.299 0.000 1.012) 1.647 10.143 ( -0.451 0.000 2.800) 2.836 10.254 ( 0.370 0.000 -2.062) 2.095 10.342 ( -0.670 0.000 0.285) 0.728 10.387 ( 1.997 0.000 -1.705) 2.626 11.739 ( -0.718 0.000 1.101) 1.315 11.786 ( 0.660 0.000 -0.904) 1.119 11.887 ( 0.124 0.000 0.710) 0.721 11.920 ( 0.635 0.000 -0.693) 0.941 13.298 ( 4.556 0.000 0.403) 4.574 13.327 ( -1.015 0.000 -1.098) 1.496 13.402 ( 0.740 0.000 0.977) 1.226 13.413 ( -0.964 0.000 0.378) 1.035 14.529 ( -1.026 0.000 1.016) 1.445 14.581 ( 1.484 0.000 -1.394) 2.036 14.705 ( -1.536 0.000 0.352) 1.576 14.710 ( 0.846 0.000 0.042) 0.847 15.024 ( 1.289 0.000 1.376) 1.886 15.043 ( 0.568 0.000 0.694) 0.897 15.074 ( -0.717 0.000 -0.870) 1.127 15.111 ( 0.894 0.000 -3.079) 3.206 15.349 ( -2.361 0.000 4.818) 5.366 15.500 ( 0.575 0.000 -2.718) 2.778 15.881 ( -57.980 0.000 2.918) 58.053 16.010 ( 7.896 0.000 -2.761) 8.365 16.142 ( -7.681 0.000 0.595) 7.704 16.173 ( 0.521 0.000 -0.840) 0.989 16.279 ( -0.815 0.000 0.521) 0.967 16.297 ( 0.683 0.000 -0.274) 0.736 17.543 ( -0.638 0.000 1.008) 1.193 17.591 ( 1.631 0.000 -1.139) 1.989 17.680 ( -1.225 0.000 0.650) 1.386 17.705 ( 0.869 0.000 -0.503) 1.004 20.714 ( -1.505 0.000 1.076) 1.850 20.786 ( 10.445 0.000 -2.357) 10.708 21.031 ( -1.521 0.000 1.406) 2.071 21.067 ( 1.242 0.000 -0.453) 1.322 25.238 ( 3.222 0.000 7.306) 7.985 25.635 ( -11.821 0.000 -12.197) 16.985 26.094 ( 32.245 0.000 6.501) 32.894 26.239 (-117.903 0.000 -1.764) 117.916 28.347 ( -0.056 0.000 0.898) 0.900 28.390 ( -0.142 0.000 -1.021) 1.031 28.423 ( -9.006 0.000 0.204) 9.009 28.432 ( 2.254 0.000 -0.218) 2.265 29.651 ( -0.302 0.000 0.970) 1.016 29.691 ( 0.876 0.000 -0.796) 1.184 29.782 ( -0.133 0.000 0.625) 0.639 29.811 ( 0.152 0.000 -0.691) 0.708 31.934 ( -2.955 0.000 0.544) 3.005 31.938 ( 2.328 0.000 0.812) 2.465 31.943 ( 0.586 0.000 -0.151) 0.606 31.992 ( -0.690 0.000 -1.302) 1.473 32.322 ( 0.138 0.000 0.546) 0.563 32.335 ( -0.315 0.000 -0.107) 0.333 32.343 ( -0.188 0.000 0.129) 0.228 32.357 ( 1.060 0.000 -0.452) 1.153 32.622 ( 1.242 0.000 1.285) 1.787 32.715 ( -1.597 0.000 -3.481) 3.830 33.151 ( -0.989 0.000 6.247) 6.325 33.360 ( 1.282 0.000 -3.695) 3.911 33.497 ( 62.459 0.000 0.241) 62.459 33.509 ( -9.881 0.000 -0.283) 9.885 34.529 ( -4.135 0.000 0.387) 4.153 34.551 ( 28.501 0.000 -0.594) 28.507 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( -3.183 0.000 -1.179) 3.394 0.822 ( 3.273 0.000 28.922) 29.107 0.993 ( 2.926 0.000 4.549) 5.409 1.292 ( 5.807 0.000 22.999) 23.721 1.452 ( 5.890 0.000 -16.486) 17.507 1.620 ( 10.293 0.000 18.205) 20.913 1.748 ( -10.085 0.000 0.240) 10.087 1.862 ( -1.875 0.000 3.422) 3.902 1.876 ( -7.315 0.000 -7.973) 10.821 2.000 ( 1.646 0.000 -7.386) 7.567 2.148 ( 4.528 0.000 6.413) 7.851 2.220 ( -1.167 0.000 -6.476) 6.581 2.230 ( 1.155 0.000 1.168) 1.643 2.304 ( 4.518 0.000 -12.670) 13.451 2.438 ( 1.265 0.000 -2.891) 3.156 2.562 ( 0.742 0.000 2.409) 2.520 2.566 ( -1.605 0.000 -0.690) 1.747 2.622 ( -4.536 0.000 6.229) 7.706 2.697 ( -0.091 0.000 -3.040) 3.042 2.698 ( 1.791 0.000 8.391) 8.580 2.761 ( -0.548 0.000 -5.150) 5.179 2.874 ( -7.512 0.000 1.830) 7.731 2.887 ( -2.550 0.000 3.643) 4.446 2.951 ( 6.686 0.000 4.052) 7.818 3.072 ( -9.556 0.000 -5.533) 11.042 3.100 ( -1.131 0.000 -2.691) 2.919 3.101 ( -0.758 0.000 1.845) 1.994 3.167 ( 4.483 0.000 4.868) 6.618 3.196 ( -7.624 0.000 0.951) 7.683 3.275 ( -0.137 0.000 -1.066) 1.075 3.284 ( 0.121 0.000 0.443) 0.459 3.335 ( 3.121 0.000 1.583) 3.499 3.405 ( 2.566 0.000 -2.056) 3.288 3.445 ( 7.795 0.000 -0.263) 7.799 3.483 ( -0.687 0.000 -3.755) 3.818 3.554 ( -3.122 0.000 1.270) 3.371 3.670 ( -0.804 0.000 -2.336) 2.471 3.722 ( 7.435 0.000 3.591) 8.256 3.799 ( 1.086 0.000 1.221) 1.634 3.829 ( -7.602 0.000 -6.184) 9.799 3.962 ( -0.016 0.000 -2.304) 2.304 4.052 ( 5.441 0.000 2.438) 5.963 4.153 ( -5.978 0.000 -6.154) 8.579 4.180 ( 5.520 0.000 1.274) 5.665 4.292 ( -3.737 0.000 6.853) 7.805 4.333 ( -2.496 0.000 1.406) 2.865 4.414 ( 0.347 0.000 -9.642) 9.648 4.574 ( -0.744 0.000 0.506) 0.900 4.660 ( -3.153 0.000 -1.871) 3.666 4.708 ( 3.212 0.000 4.820) 5.793 4.751 ( 2.025 0.000 3.647) 4.172 4.755 ( -2.024 0.000 7.322) 7.597 4.793 ( -4.804 0.000 -4.176) 6.366 4.873 ( 0.706 0.000 -1.500) 1.658 4.973 ( 0.381 0.000 -2.261) 2.293 5.060 ( -1.121 0.000 6.056) 6.159 5.295 ( -0.298 0.000 1.032) 1.074 5.338 ( -0.776 0.000 -4.215) 4.286 5.459 ( -5.724 0.000 0.657) 5.762 5.472 ( -3.083 0.000 1.206) 3.311 5.612 ( -3.239 0.000 -0.036) 3.239 5.666 ( -2.977 0.000 -2.280) 3.750 5.746 ( 1.863 0.000 -0.111) 1.866 5.903 ( 11.164 0.000 -10.803) 15.535 5.979 ( 1.587 0.000 -3.837) 4.153 6.098 ( 3.939 0.000 -6.881) 7.929 6.251 ( -10.023 0.000 8.770) 13.318 6.348 ( 1.818 0.000 7.435) 7.655 6.636 ( -2.272 0.000 0.625) 2.356 6.669 ( 5.906 0.000 -2.186) 6.297 7.012 ( 4.558 0.000 -1.931) 4.950 7.629 ( 2.811 0.000 -11.891) 12.218 9.051 ( 3.106 0.000 3.225) 4.477 9.062 ( -1.700 0.000 -2.257) 2.826 9.206 ( -0.674 0.000 -2.154) 2.257 9.306 ( -1.130 0.000 2.273) 2.538 9.433 ( 1.305 0.000 -2.927) 3.205 9.433 ( 6.183 0.000 -1.635) 6.395 9.465 ( 1.605 0.000 1.863) 2.459 9.527 ( -1.284 0.000 2.406) 2.728 10.139 ( -0.292 0.000 2.077) 2.097 10.247 ( 0.298 0.000 -2.041) 2.063 10.322 ( -1.479 0.000 -0.391) 1.530 10.402 ( 0.179 0.000 -1.981) 1.989 11.738 ( 0.152 0.000 0.684) 0.701 11.787 ( 0.212 0.000 -0.643) 0.677 11.895 ( 0.054 0.000 -0.594) 0.597 11.912 ( -1.186 0.000 -0.188) 1.200 13.307 ( -0.438 0.000 -1.431) 1.497 13.388 ( 0.865 0.000 -1.424) 1.666 13.406 ( 3.148 0.000 -2.672) 4.129 13.415 ( 0.024 0.000 1.325) 1.325 14.527 ( 0.461 0.000 0.233) 0.517 14.590 ( -0.628 0.000 0.171) 0.651 14.681 ( -0.527 0.000 0.002) 0.527 14.712 ( -0.890 0.000 0.888) 1.257 14.923 ( -17.259 0.000 16.521) 23.892 15.006 ( -2.500 0.000 0.742) 2.607 15.107 ( -0.134 0.000 -3.464) 3.466 15.118 ( 3.431 0.000 -2.266) 4.112 15.131 ( -0.621 0.000 7.590) 7.616 15.412 ( -3.437 0.000 11.654) 12.150 15.465 ( -2.201 0.000 -2.383) 3.244 16.023 ( -3.631 0.000 0.456) 3.660 16.166 ( 1.770 0.000 -0.563) 1.857 16.217 ( 1.303 0.000 1.198) 1.770 16.280 ( 0.129 0.000 0.442) 0.460 16.318 ( 0.802 0.000 1.939) 2.098 17.523 ( -1.777 0.000 0.861) 1.974 17.608 ( 0.943 0.000 -1.507) 1.778 17.661 ( -1.240 0.000 0.474) 1.328 17.720 ( 0.508 0.000 -0.341) 0.612 20.735 ( 3.396 0.000 -0.204) 3.402 20.880 ( 2.024 0.000 -1.718) 2.655 21.006 ( -0.950 0.000 0.123) 0.958 21.081 ( 0.143 0.000 -0.090) 0.169 25.157 ( -18.307 0.000 14.219) 23.180 25.365 ( 3.295 0.000 14.794) 15.156 25.376 ( -9.694 0.000 -7.208) 12.080 26.718 ( 22.164 0.000 17.359) 28.153 28.332 ( -1.658 0.000 0.944) 1.908 28.370 ( -1.139 0.000 -0.839) 1.414 28.377 ( -0.376 0.000 0.997) 1.065 28.504 ( 4.295 0.000 2.119) 4.789 29.646 ( -0.721 0.000 0.626) 0.955 29.686 ( -0.211 0.000 -0.538) 0.578 29.800 ( 1.409 0.000 0.511) 1.499 29.831 ( 2.205 0.000 -0.677) 2.307 31.916 ( -0.562 0.000 0.106) 0.572 31.946 ( 0.245 0.000 -0.022) 0.246 31.997 ( 2.588 0.000 0.056) 2.589 32.001 ( 2.154 0.000 -0.219) 2.165 32.316 ( -0.720 0.000 0.795) 1.072 32.333 ( 0.193 0.000 -0.493) 0.529 32.354 ( 0.922 0.000 -0.060) 0.924 32.364 ( 0.290 0.000 -0.341) 0.448 32.683 ( 4.383 0.000 2.245) 4.925 32.684 ( 0.463 0.000 -3.650) 3.679 33.110 ( -13.077 0.000 -4.506) 13.832 33.193 ( -8.692 0.000 -1.415) 8.806 33.302 ( -5.505 0.000 -3.214) 6.374 33.882 ( 7.620 0.000 -13.115) 15.168 34.558 ( 6.138 0.000 -2.731) 6.718 34.893 ( 3.100 0.000 -6.613) 7.304 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 13.840 0.000 4.026) 14.413 1.007 ( 2.523 0.000 22.807) 22.946 1.213 ( -15.051 0.000 16.401) 22.260 1.292 ( 12.610 0.000 16.945) 21.122 1.493 ( 8.273 0.000 -11.346) 14.042 1.564 ( -8.811 0.000 2.865) 9.265 1.669 ( -6.082 0.000 0.111) 6.083 1.706 ( -6.848 0.000 -4.529) 8.210 1.955 ( -0.426 0.000 -7.994) 8.005 2.087 ( 8.675 0.000 3.591) 9.389 2.168 ( -2.326 0.000 -6.032) 6.465 2.209 ( -1.784 0.000 -1.259) 2.183 2.344 ( 4.858 0.000 -11.351) 12.347 2.401 ( 0.463 0.000 -5.776) 5.795 2.425 ( -6.315 0.000 -5.075) 8.101 2.466 ( 4.587 0.000 3.516) 5.780 2.554 ( 7.248 0.000 -3.901) 8.231 2.641 ( -2.261 0.000 -5.886) 6.305 2.666 ( 7.930 0.000 11.054) 13.604 2.776 ( 1.684 0.000 11.010) 11.138 2.788 ( 2.758 0.000 0.573) 2.817 2.852 ( -0.915 0.000 6.216) 6.282 2.890 ( 0.269 0.000 2.989) 3.001 2.893 ( -2.561 0.000 -1.169) 2.816 3.033 ( -3.203 0.000 -5.621) 6.469 3.068 ( -1.039 0.000 -0.615) 1.208 3.072 ( 7.074 0.000 -1.075) 7.155 3.147 ( -1.356 0.000 6.007) 6.158 3.255 ( 1.615 0.000 3.991) 4.305 3.291 ( 0.537 0.000 1.556) 1.646 3.294 ( 0.619 0.000 -3.705) 3.757 3.365 ( -0.929 0.000 0.202) 0.951 3.479 ( 4.987 0.000 1.852) 5.320 3.502 ( 1.752 0.000 0.586) 1.848 3.506 ( 4.080 0.000 -4.971) 6.430 3.592 ( 4.296 0.000 1.581) 4.577 3.624 ( -5.129 0.000 -4.107) 6.571 3.673 ( -2.507 0.000 -2.276) 3.386 3.722 ( -5.813 0.000 -2.496) 6.327 3.861 ( -1.748 0.000 2.967) 3.443 3.891 ( -19.566 0.000 -5.740) 20.390 3.905 ( -0.939 0.000 -2.509) 2.679 4.171 ( 0.758 0.000 1.187) 1.409 4.174 ( -2.254 0.000 -2.033) 3.035 4.200 ( -3.241 0.000 -3.167) 4.532 4.338 ( -1.112 0.000 10.552) 10.611 4.358 ( 4.139 0.000 2.137) 4.659 4.594 ( 0.937 0.000 -4.059) 4.166 4.687 ( -3.375 0.000 -2.950) 4.482 4.689 ( 1.562 0.000 0.514) 1.644 4.782 ( 2.147 0.000 0.486) 2.201 4.791 ( 2.238 0.000 3.553) 4.199 4.797 ( 1.498 0.000 -0.289) 1.526 4.891 ( -0.127 0.000 3.033) 3.035 5.020 ( -4.686 0.000 1.462) 4.908 5.026 ( 5.934 0.000 -0.673) 5.972 5.264 ( -2.846 0.000 -0.271) 2.859 5.316 ( 1.210 0.000 -0.922) 1.521 5.375 ( -3.950 0.000 1.376) 4.183 5.427 ( -1.924 0.000 -2.423) 3.094 5.514 ( -4.545 0.000 0.549) 4.578 5.663 ( 1.791 0.000 -0.105) 1.794 5.766 ( 1.451 0.000 -4.062) 4.314 5.975 ( 4.592 0.000 -11.856) 12.714 6.024 ( 2.060 0.000 2.724) 3.415 6.111 ( -6.945 0.000 4.603) 8.332 6.117 ( 2.169 0.000 -5.805) 6.197 6.396 ( -1.756 0.000 -0.063) 1.757 6.674 ( 6.509 0.000 6.414) 9.139 6.816 ( 9.993 0.000 -1.391) 10.090 7.060 ( 0.633 0.000 -1.549) 1.674 7.420 ( -18.826 0.000 1.700) 18.903 9.039 ( -0.337 0.000 -0.093) 0.349 9.125 ( 2.021 0.000 2.326) 3.082 9.192 ( 0.453 0.000 0.335) 0.563 9.281 ( -2.189 0.000 2.520) 3.338 9.441 ( 1.474 0.000 -2.219) 2.664 9.482 ( 2.729 0.000 -1.528) 3.128 9.516 ( -0.902 0.000 1.432) 1.693 9.574 ( 5.184 0.000 -0.435) 5.202 10.166 ( 2.508 0.000 -0.234) 2.519 10.255 ( 1.457 0.000 -1.079) 1.813 10.286 ( -1.979 0.000 -1.125) 2.276 10.380 ( -1.417 0.000 -1.707) 2.219 11.751 ( 0.906 0.000 0.340) 0.968 11.792 ( 0.746 0.000 -1.060) 1.296 11.882 ( -1.937 0.000 0.410) 1.980 11.883 ( -0.943 0.000 -0.014) 0.944 13.300 ( 0.438 0.000 -0.769) 0.885 13.370 ( -1.012 0.000 -0.750) 1.259 13.416 ( -0.730 0.000 1.461) 1.633 13.441 ( 1.311 0.000 -1.485) 1.981 14.545 ( 1.550 0.000 -0.543) 1.643 14.571 ( -1.191 0.000 0.578) 1.324 14.690 ( -2.063 0.000 1.612) 2.618 14.693 ( 1.610 0.000 -1.165) 1.988 14.864 ( 1.144 0.000 4.777) 4.912 14.974 ( -1.543 0.000 1.141) 1.919 15.099 ( 1.162 0.000 -5.565) 5.685 15.148 ( 1.905 0.000 -4.971) 5.324 15.195 ( 2.154 0.000 6.418) 6.770 15.421 ( -1.376 0.000 -1.257) 1.864 15.423 ( -2.324 0.000 13.016) 13.222 15.944 ( -4.176 0.000 -1.286) 4.369 16.186 ( 0.931 0.000 -0.612) 1.114 16.217 ( -0.913 0.000 0.368) 0.985 16.287 ( 0.246 0.000 0.822) 0.858 16.322 ( -1.520 0.000 2.688) 3.088 17.498 ( -1.330 0.000 1.048) 1.693 17.609 ( 0.200 0.000 -2.795) 2.802 17.642 ( -1.107 0.000 1.543) 1.899 17.714 ( -0.516 0.000 -1.042) 1.163 20.815 ( 4.763 0.000 -0.317) 4.774 20.904 ( 1.328 0.000 0.395) 1.386 20.984 ( -1.809 0.000 -0.002) 1.809 21.067 ( -1.292 0.000 -0.886) 1.566 25.076 ( 0.285 0.000 -0.798) 0.847 25.219 ( -4.537 0.000 -3.953) 6.017 25.532 ( 4.528 0.000 22.434) 22.887 26.942 ( -2.450 0.000 3.742) 4.472 28.309 ( -1.209 0.000 0.859) 1.483 28.347 ( -0.811 0.000 -0.712) 1.079 28.378 ( -0.227 0.000 1.168) 1.189 28.560 ( 0.157 0.000 0.068) 0.171 29.634 ( -0.489 0.000 -0.267) 0.557 29.681 ( -0.105 0.000 -0.817) 0.824 29.826 ( 1.035 0.000 0.747) 1.277 29.870 ( 2.007 0.000 -0.647) 2.109 31.909 ( -0.171 0.000 0.188) 0.254 31.954 ( 0.450 0.000 -0.848) 0.960 32.032 ( 1.219 0.000 0.320) 1.260 32.051 ( 1.417 0.000 3.205) 3.505 32.306 ( -0.763 0.000 0.093) 0.769 32.336 ( 0.487 0.000 -0.836) 0.968 32.362 ( 0.091 0.000 -0.280) 0.294 32.366 ( -0.055 0.000 0.031) 0.063 32.724 ( 5.625 0.000 0.708) 5.669 32.793 ( 5.940 0.000 1.736) 6.189 32.853 ( -5.152 0.000 -4.618) 6.918 33.150 ( -8.392 0.000 -2.667) 8.805 33.158 ( -1.626 0.000 3.409) 3.777 33.929 ( 6.776 0.000 -18.186) 19.408 34.662 ( 5.944 0.000 -2.701) 6.529 34.794 ( -9.712 0.000 3.780) 10.422 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -16.777 0.000 17.390) 24.163 0.969 ( 1.184 0.000 8.924) 9.002 1.220 ( 4.370 0.000 16.009) 16.595 1.382 ( -9.272 0.000 6.670) 11.422 1.496 ( -6.411 0.000 4.707) 7.953 1.502 ( -3.567 0.000 1.409) 3.835 1.689 ( 10.134 0.000 5.415) 11.490 1.702 ( 10.246 0.000 -5.559) 11.657 2.059 ( 4.414 0.000 0.791) 4.484 2.107 ( 9.082 0.000 -3.558) 9.754 2.152 ( -3.184 0.000 -4.672) 5.654 2.164 ( -0.511 0.000 -1.632) 1.710 2.304 ( 1.628 0.000 -11.415) 11.531 2.336 ( -0.654 0.000 -6.758) 6.789 2.408 ( -3.267 0.000 -5.984) 6.818 2.428 ( 3.533 0.000 -3.545) 5.005 2.592 ( 1.219 0.000 -5.601) 5.733 2.649 ( 2.188 0.000 5.056) 5.510 2.667 ( -14.104 0.000 -8.248) 16.339 2.766 ( -3.786 0.000 7.173) 8.111 2.804 ( -2.878 0.000 -0.252) 2.889 2.829 ( -2.773 0.000 4.716) 5.471 2.875 ( -2.455 0.000 -1.106) 2.692 2.984 ( 0.810 0.000 -5.219) 5.282 3.073 ( -0.104 0.000 6.342) 6.343 3.106 ( 2.905 0.000 4.853) 5.656 3.166 ( 1.005 0.000 -3.023) 3.185 3.168 ( 0.571 0.000 4.937) 4.970 3.253 ( -2.575 0.000 -0.485) 2.620 3.281 ( -1.852 0.000 -0.287) 1.874 3.298 ( 6.088 0.000 0.260) 6.094 3.349 ( 1.964 0.000 -0.878) 2.152 3.402 ( -6.995 0.000 1.167) 7.092 3.519 ( -2.401 0.000 2.817) 3.702 3.577 ( -3.677 0.000 0.547) 3.717 3.614 ( 6.612 0.000 -0.089) 6.613 3.621 ( 7.621 0.000 -6.513) 10.025 3.645 ( 0.719 0.000 -1.937) 2.066 3.673 ( 2.891 0.000 -0.162) 2.896 3.755 ( -3.663 0.000 -5.066) 6.251 3.837 ( 16.332 0.000 8.810) 18.557 3.964 ( 1.915 0.000 3.376) 3.882 4.062 ( -9.902 0.000 -3.805) 10.608 4.076 ( -2.729 0.000 -4.385) 5.165 4.294 ( -2.606 0.000 6.670) 7.161 4.308 ( 4.292 0.000 7.149) 8.338 4.474 ( 3.376 0.000 -1.325) 3.626 4.578 ( -1.011 0.000 -4.204) 4.324 4.659 ( 0.383 0.000 0.330) 0.505 4.681 ( -2.063 0.000 0.978) 2.283 4.762 ( -1.679 0.000 -4.133) 4.461 4.774 ( -2.150 0.000 -2.657) 3.418 4.851 ( 1.398 0.000 -1.265) 1.885 4.874 ( -4.052 0.000 11.062) 11.781 4.937 ( -2.255 0.000 -6.806) 7.170 5.118 ( 1.373 0.000 -0.096) 1.376 5.222 ( -0.750 0.000 1.761) 1.914 5.333 ( -0.963 0.000 0.866) 1.295 5.357 ( -2.242 0.000 -1.907) 2.943 5.372 ( 2.822 0.000 0.988) 2.990 5.516 ( 3.458 0.000 1.085) 3.624 5.699 ( 0.948 0.000 1.687) 1.935 5.764 ( 1.157 0.000 -7.092) 7.186 5.981 ( -4.389 0.000 4.267) 6.122 6.003 ( 6.790 0.000 -14.546) 16.052 6.129 ( 2.260 0.000 -3.812) 4.431 6.149 ( 4.083 0.000 5.329) 6.714 6.311 ( -5.270 0.000 -3.114) 6.121 6.854 ( 5.466 0.000 4.175) 6.878 6.957 ( 0.112 0.000 0.647) 0.657 7.055 ( 4.353 0.000 0.770) 4.421 7.067 ( -17.502 0.000 4.672) 18.114 9.045 ( 0.548 0.000 1.274) 1.387 9.111 ( -2.336 0.000 -1.275) 2.661 9.242 ( 1.844 0.000 4.676) 5.026 9.263 ( -1.081 0.000 2.322) 2.561 9.460 ( 0.919 0.000 -0.564) 1.078 9.515 ( 0.430 0.000 0.809) 0.916 9.521 ( 1.916 0.000 -0.740) 2.055 9.595 ( -2.189 0.000 -3.638) 4.245 10.210 ( 1.849 0.000 -0.512) 1.918 10.248 ( -1.074 0.000 -1.666) 1.983 10.285 ( 1.991 0.000 0.081) 1.993 10.343 ( -0.961 0.000 -2.477) 2.657 11.768 ( 0.503 0.000 0.211) 0.545 11.798 ( 0.546 0.000 -1.499) 1.596 11.857 ( -0.752 0.000 0.726) 1.045 11.870 ( -0.450 0.000 0.474) 0.653 13.315 ( 1.250 0.000 0.311) 1.288 13.347 ( -0.901 0.000 -1.630) 1.863 13.404 ( -1.270 0.000 1.191) 1.741 13.447 ( -0.015 0.000 -0.189) 0.190 14.556 ( -0.524 0.000 0.008) 0.524 14.573 ( 1.686 0.000 -0.891) 1.907 14.659 ( -2.101 0.000 1.820) 2.780 14.714 ( 1.074 0.000 -0.816) 1.349 14.934 ( 4.241 0.000 0.058) 4.241 14.962 ( -0.444 0.000 1.411) 1.479 15.089 ( 0.866 0.000 -5.755) 5.820 15.154 ( 2.404 0.000 -6.418) 6.854 15.257 ( 0.748 0.000 7.598) 7.634 15.394 ( -1.112 0.000 -1.501) 1.868 15.465 ( -1.020 0.000 17.145) 17.175 15.870 ( -2.104 0.000 -4.456) 4.928 16.202 ( 1.279 0.000 -0.411) 1.344 16.204 ( -0.346 0.000 -0.368) 0.506 16.298 ( 0.398 0.000 1.780) 1.824 16.304 ( -1.312 0.000 1.467) 1.968 17.490 ( -0.119 0.000 1.461) 1.466 17.590 ( -0.336 0.000 -3.036) 3.054 17.641 ( 0.130 0.000 1.303) 1.310 17.703 ( 0.143 0.000 -1.374) 1.381 20.876 ( 1.007 0.000 0.545) 1.145 20.906 ( -2.571 0.000 -0.868) 2.713 20.961 ( 0.439 0.000 1.304) 1.376 21.037 ( -0.707 0.000 -1.880) 2.009 25.091 ( 2.050 0.000 -3.170) 3.775 25.170 ( 1.156 0.000 -3.149) 3.355 25.763 ( 6.020 0.000 33.822) 34.353 26.766 ( -11.400 0.000 -14.632) 18.549 28.301 ( -0.124 0.000 0.928) 0.936 28.337 ( 0.152 0.000 -0.730) 0.745 28.384 ( 0.142 0.000 1.977) 1.982 28.523 ( -2.132 0.000 -3.987) 4.521 29.631 ( 0.189 0.000 0.161) 0.248 29.672 ( -0.259 0.000 -1.328) 1.353 29.844 ( 0.180 0.000 1.308) 1.320 29.887 ( 0.120 0.000 -0.755) 0.765 31.912 ( 0.235 0.000 0.491) 0.544 31.946 ( -0.549 0.000 -1.530) 1.625 32.049 ( 0.538 0.000 0.896) 1.045 32.062 ( -1.016 0.000 1.406) 1.734 32.296 ( -0.205 0.000 0.289) 0.354 32.341 ( 0.582 0.000 -1.122) 1.264 32.362 ( -0.355 0.000 0.225) 0.420 32.366 ( 0.278 0.000 0.071) 0.287 32.802 ( 1.026 0.000 0.627) 1.203 32.846 ( -3.148 0.000 -1.262) 3.392 32.906 ( 7.023 0.000 8.848) 11.297 33.056 ( 2.167 0.000 -1.033) 2.401 33.163 ( 0.446 0.000 6.344) 6.360 33.924 ( 3.950 0.000 -27.430) 27.713 34.635 ( -9.864 0.000 6.689) 11.918 34.735 ( 2.764 0.000 -0.639) 2.837 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -15.722 0.000 25.467) 29.929 0.921 ( -16.312 0.000 10.072) 19.171 1.297 ( 5.803 0.000 15.370) 16.429 1.299 ( -8.852 0.000 -3.929) 9.685 1.482 ( -1.841 0.000 11.813) 11.956 1.509 ( 4.908 0.000 -1.130) 5.037 1.751 ( -9.171 0.000 -5.146) 10.516 1.844 ( 2.923 0.000 0.177) 2.928 1.991 ( -4.751 0.000 -0.077) 4.752 2.081 ( 0.257 0.000 -13.690) 13.693 2.128 ( 8.627 0.000 -0.148) 8.628 2.245 ( -4.799 0.000 -3.540) 5.963 2.246 ( 2.439 0.000 -3.969) 4.658 2.330 ( 2.404 0.000 -6.395) 6.832 2.351 ( -2.608 0.000 -1.619) 3.069 2.444 ( 0.811 0.000 1.236) 1.478 2.511 ( 6.834 0.000 -8.124) 10.616 2.663 ( 6.829 0.000 4.458) 8.155 2.732 ( -4.242 0.000 4.334) 6.064 2.743 ( -3.317 0.000 4.217) 5.365 2.755 ( 3.634 0.000 9.395) 10.074 2.808 ( 1.050 0.000 -2.997) 3.175 2.843 ( 2.555 0.000 4.013) 4.757 2.950 ( -3.930 0.000 -2.718) 4.778 3.068 ( -2.780 0.000 -1.371) 3.100 3.096 ( -3.800 0.000 -0.046) 3.800 3.153 ( 3.338 0.000 5.495) 6.429 3.177 ( -4.362 0.000 -3.612) 5.663 3.259 ( 1.267 0.000 -2.878) 3.145 3.282 ( 5.081 0.000 10.668) 11.816 3.322 ( 0.645 0.000 1.435) 1.573 3.399 ( 1.908 0.000 -2.089) 2.829 3.412 ( 2.252 0.000 1.134) 2.521 3.495 ( -1.127 0.000 2.084) 2.369 3.498 ( -7.198 0.000 -2.115) 7.502 3.560 ( -10.218 0.000 -1.442) 10.319 3.678 ( -3.608 0.000 -10.223) 10.841 3.711 ( 4.302 0.000 -3.912) 5.815 3.714 ( 2.529 0.000 2.592) 3.621 3.810 ( 10.168 0.000 -1.747) 10.317 3.870 ( 2.088 0.000 -0.887) 2.269 4.019 ( -1.270 0.000 -2.599) 2.892 4.086 ( 8.315 0.000 -3.014) 8.845 4.238 ( 14.522 0.000 2.029) 14.663 4.318 ( -0.123 0.000 7.224) 7.225 4.374 ( -0.918 0.000 4.694) 4.783 4.390 ( -8.959 0.000 -5.145) 10.331 4.533 ( -0.137 0.000 0.388) 0.412 4.662 ( 1.218 0.000 2.598) 2.869 4.674 ( -1.585 0.000 4.283) 4.567 4.690 ( -4.579 0.000 -2.907) 5.423 4.748 ( 2.076 0.000 -0.778) 2.217 4.843 ( -1.329 0.000 -2.825) 3.122 4.872 ( -0.723 0.000 -3.359) 3.436 4.904 ( 1.371 0.000 5.314) 5.488 5.085 ( -2.421 0.000 -0.315) 2.442 5.229 ( -1.152 0.000 2.776) 3.006 5.319 ( 0.156 0.000 -2.258) 2.263 5.355 ( 3.342 0.000 0.306) 3.356 5.453 ( 4.330 0.000 -1.590) 4.613 5.607 ( 5.126 0.000 3.852) 6.412 5.696 ( -2.408 0.000 2.887) 3.759 5.719 ( -2.081 0.000 -6.570) 6.892 5.969 ( 1.016 0.000 1.764) 2.036 6.043 ( 4.206 0.000 -18.619) 19.088 6.162 ( -1.924 0.000 -8.873) 9.080 6.241 ( 2.214 0.000 7.444) 7.766 6.251 ( 7.446 0.000 0.702) 7.479 6.673 ( -16.940 0.000 6.750) 18.235 6.852 ( -7.818 0.000 -1.076) 7.891 7.061 ( 4.682 0.000 -3.769) 6.011 7.177 ( 2.211 0.000 7.367) 7.692 9.055 ( -3.052 0.000 -0.422) 3.081 9.075 ( 2.173 0.000 1.479) 2.629 9.260 ( -0.558 0.000 1.324) 1.437 9.282 ( 0.252 0.000 3.945) 3.953 9.464 ( 0.226 0.000 -0.709) 0.744 9.477 ( -7.075 0.000 -4.724) 8.507 9.529 ( -0.285 0.000 1.058) 1.096 9.539 ( -0.008 0.000 0.508) 0.508 10.203 ( -2.601 0.000 0.362) 2.626 10.236 ( 0.797 0.000 -2.210) 2.350 10.321 ( 1.453 0.000 0.880) 1.699 10.341 ( 2.294 0.000 -3.637) 4.300 11.765 ( -0.890 0.000 0.752) 1.165 11.794 ( -0.102 0.000 -1.775) 1.778 11.867 ( 1.459 0.000 0.066) 1.461 11.874 ( 0.497 0.000 0.704) 0.862 13.319 ( -1.051 0.000 -2.610) 2.813 13.344 ( 1.249 0.000 1.216) 1.743 13.384 ( -1.236 0.000 0.225) 1.257 13.441 ( -0.734 0.000 0.513) 0.895 14.553 ( 0.389 0.000 -0.780) 0.872 14.581 ( -1.186 0.000 0.727) 1.391 14.650 ( 1.063 0.000 0.108) 1.069 14.724 ( 0.263 0.000 0.021) 0.264 14.972 ( 0.755 0.000 1.369) 1.563 14.991 ( 1.680 0.000 -0.711) 1.824 15.085 ( 1.923 0.000 -4.536) 4.927 15.170 ( 1.434 0.000 -4.761) 4.972 15.299 ( 0.061 0.000 6.525) 6.525 15.378 ( 2.072 0.000 -4.016) 4.519 15.585 ( 3.943 0.000 24.503) 24.818 15.831 ( 1.416 0.000 -7.580) 7.712 16.201 ( 0.162 0.000 -0.829) 0.845 16.231 ( 1.909 0.000 -0.043) 1.910 16.293 ( -0.502 0.000 0.519) 0.722 16.327 ( 1.546 0.000 4.422) 4.685 17.506 ( 0.866 0.000 1.783) 1.982 17.575 ( 0.414 0.000 -2.825) 2.855 17.656 ( 0.743 0.000 1.009) 1.253 17.704 ( 0.511 0.000 -1.430) 1.519 20.821 ( -5.315 0.000 -1.500) 5.523 20.847 ( -4.156 0.000 1.686) 4.484 20.991 ( 1.414 0.000 1.623) 2.152 21.034 ( 1.176 0.000 -2.093) 2.401 25.117 ( 2.161 0.000 -1.377) 2.563 25.241 ( 9.154 0.000 -3.576) 9.828 26.140 ( 14.286 0.000 52.162) 54.083 26.434 ( -14.018 0.000 -22.988) 26.925 28.313 ( 0.866 0.000 0.944) 1.282 28.346 ( 1.234 0.000 -0.774) 1.457 28.408 ( 1.106 0.000 4.310) 4.450 28.468 ( -1.511 0.000 -3.590) 3.895 29.638 ( 0.259 0.000 0.767) 0.809 29.658 ( -0.405 0.000 -1.891) 1.934 29.838 ( -1.584 0.000 0.958) 1.851 29.868 ( -1.591 0.000 -0.858) 1.807 31.921 ( 0.385 0.000 0.730) 0.825 31.930 ( -0.227 0.000 -0.997) 1.023 32.045 ( -1.244 0.000 0.335) 1.288 32.069 ( 1.040 0.000 2.655) 2.851 32.300 ( 0.228 0.000 0.693) 0.729 32.344 ( 0.266 0.000 -1.403) 1.428 32.356 ( -0.328 0.000 0.065) 0.334 32.366 ( -0.306 0.000 -0.028) 0.307 32.733 ( -6.117 0.000 -0.956) 6.192 32.808 ( -1.565 0.000 1.911) 2.470 33.048 ( 5.078 0.000 2.171) 5.523 33.152 ( 6.962 0.000 -4.396) 8.234 33.273 ( 5.884 0.000 14.665) 15.801 33.739 ( -7.265 0.000 -42.003) 42.627 34.512 ( -7.276 0.000 5.450) 9.091 34.748 ( -2.255 0.000 2.592) 3.436 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -28.208 0.000 0.068) 28.208 0.626 ( -19.176 0.000 19.812) 27.572 0.777 ( -23.511 0.000 24.099) 33.668 1.507 ( -3.138 0.000 13.705) 14.060 1.510 ( 1.194 0.000 -1.145) 1.654 1.663 ( -2.692 0.000 -5.572) 6.189 1.687 ( 15.582 0.000 5.267) 16.448 1.880 ( 2.433 0.000 -1.253) 2.736 1.971 ( 3.597 0.000 -3.251) 4.848 2.110 ( 1.305 0.000 -0.687) 1.475 2.181 ( 0.700 0.000 -4.438) 4.492 2.225 ( 3.388 0.000 -4.890) 5.949 2.319 ( 5.495 0.000 -0.484) 5.516 2.325 ( 0.559 0.000 -1.099) 1.233 2.333 ( 0.146 0.000 7.639) 7.641 2.510 ( -2.238 0.000 -12.510) 12.709 2.517 ( 4.026 0.000 2.857) 4.937 2.622 ( -4.500 0.000 -10.456) 11.383 2.654 ( -4.605 0.000 0.549) 4.637 2.803 ( 5.347 0.000 6.648) 8.532 2.842 ( -5.534 0.000 -2.666) 6.143 2.863 ( 1.204 0.000 4.586) 4.742 2.912 ( 5.990 0.000 2.132) 6.358 2.979 ( 7.034 0.000 2.811) 7.575 3.067 ( -1.753 0.000 5.280) 5.563 3.091 ( -1.873 0.000 -5.436) 5.749 3.095 ( 9.293 0.000 4.128) 10.168 3.160 ( -7.388 0.000 -6.060) 9.555 3.219 ( 1.762 0.000 5.158) 5.451 3.307 ( -1.214 0.000 1.267) 1.755 3.349 ( -0.624 0.000 2.584) 2.659 3.365 ( -4.135 0.000 -5.566) 6.934 3.374 ( -1.631 0.000 -1.379) 2.136 3.505 ( 2.951 0.000 -0.375) 2.975 3.517 ( 0.991 0.000 3.636) 3.768 3.524 ( 6.898 0.000 5.056) 8.553 3.610 ( 0.523 0.000 -8.439) 8.455 3.747 ( -0.418 0.000 0.291) 0.509 3.784 ( 4.523 0.000 -2.151) 5.008 3.933 ( 2.588 0.000 -2.403) 3.532 3.934 ( 1.702 0.000 5.518) 5.775 4.004 ( 1.189 0.000 -2.191) 2.493 4.146 ( -10.941 0.000 -2.533) 11.230 4.200 ( -3.210 0.000 -6.511) 7.259 4.240 ( 7.372 0.000 -1.160) 7.463 4.386 ( 1.370 0.000 5.501) 5.669 4.395 ( -1.191 0.000 -0.047) 1.192 4.548 ( -3.884 0.000 4.833) 6.200 4.622 ( -0.758 0.000 6.965) 7.006 4.643 ( -2.206 0.000 0.927) 2.392 4.742 ( -1.587 0.000 -2.722) 3.151 4.804 ( 4.076 0.000 -3.091) 5.116 4.821 ( 5.343 0.000 -1.395) 5.522 4.856 ( 0.058 0.000 0.281) 0.287 4.966 ( 2.163 0.000 1.732) 2.771 5.071 ( -0.525 0.000 5.237) 5.263 5.221 ( 0.615 0.000 0.590) 0.853 5.332 ( 2.327 0.000 -2.733) 3.589 5.472 ( 8.870 0.000 1.006) 8.927 5.499 ( 1.543 0.000 0.278) 1.568 5.658 ( -2.628 0.000 2.071) 3.346 5.659 ( -0.849 0.000 -3.611) 3.709 5.717 ( 3.749 0.000 2.567) 4.544 5.925 ( -10.067 0.000 -28.060) 29.811 6.006 ( 2.189 0.000 -2.020) 2.979 6.015 ( -5.132 0.000 -5.013) 7.174 6.301 ( 0.073 0.000 8.037) 8.037 6.437 ( -7.019 0.000 12.648) 14.465 6.502 ( 10.404 0.000 -3.887) 11.106 6.715 ( -5.673 0.000 -0.332) 5.682 7.017 ( -5.976 0.000 -5.349) 8.021 7.152 ( -9.329 0.000 8.569) 12.667 9.008 ( -1.902 0.000 0.734) 2.039 9.142 ( 4.307 0.000 0.896) 4.400 9.231 ( -3.036 0.000 -2.817) 4.142 9.293 ( -1.341 0.000 3.549) 3.793 9.353 ( -3.038 0.000 -1.164) 3.254 9.464 ( -0.410 0.000 -2.516) 2.549 9.504 ( -1.211 0.000 -0.533) 1.323 9.525 ( -2.270 0.000 2.185) 3.151 10.151 ( -2.538 0.000 1.286) 2.845 10.248 ( 1.386 0.000 -2.142) 2.552 10.342 ( 0.366 0.000 0.865) 0.939 10.367 ( 1.955 0.000 -2.972) 3.557 11.751 ( -1.128 0.000 1.203) 1.649 11.783 ( 0.014 0.000 -1.501) 1.501 11.886 ( 0.146 0.000 0.781) 0.794 11.899 ( 1.869 0.000 -0.668) 1.985 13.284 ( -1.333 0.000 -1.540) 2.036 13.351 ( -1.243 0.000 0.411) 1.309 13.381 ( 1.124 0.000 0.213) 1.144 13.428 ( -1.013 0.000 0.775) 1.275 14.552 ( -2.092 0.000 1.457) 2.549 14.562 ( 1.215 0.000 -1.452) 1.893 14.683 ( 2.120 0.000 -0.539) 2.187 14.723 ( -0.610 0.000 0.536) 0.812 15.002 ( 1.863 0.000 0.985) 2.108 15.002 ( 0.497 0.000 0.044) 0.499 15.104 ( 1.620 0.000 -2.761) 3.201 15.133 ( -3.163 0.000 -1.441) 3.476 15.330 ( 0.286 0.000 4.954) 4.962 15.449 ( 6.478 0.000 -4.322) 7.787 15.864 ( 12.372 0.000 18.079) 21.906 15.866 ( 7.864 0.000 -9.320) 12.194 16.192 ( -0.803 0.000 -0.972) 1.261 16.260 ( 1.175 0.000 -0.460) 1.262 16.291 ( 0.187 0.000 -0.141) 0.234 16.434 ( 6.825 0.000 5.066) 8.500 17.533 ( 0.872 0.000 1.565) 1.792 17.575 ( 0.897 0.000 -2.149) 2.328 17.677 ( 0.801 0.000 1.586) 1.777 17.702 ( 0.100 0.000 -1.184) 1.188 20.719 ( -4.138 0.000 0.261) 4.146 20.769 ( -4.835 0.000 2.119) 5.279 21.023 ( 0.842 0.000 2.236) 2.390 21.048 ( 1.307 0.000 -1.464) 1.962 25.161 ( 2.584 0.000 2.284) 3.449 25.497 ( 21.008 0.000 -2.212) 21.124 26.053 ( -14.473 0.000 -20.732) 25.284 26.901 ( 36.157 0.000 46.791) 59.133 28.335 ( 0.826 0.000 0.723) 1.098 28.371 ( 1.862 0.000 -0.765) 2.013 28.433 ( -0.796 0.000 -2.020) 2.171 28.501 ( 6.439 0.000 9.916) 11.823 29.643 ( 0.242 0.000 -0.834) 0.868 29.647 ( 0.172 0.000 0.990) 1.005 29.803 ( -2.212 0.000 0.615) 2.296 29.831 ( -1.700 0.000 -0.817) 1.886 31.928 ( -0.021 0.000 0.407) 0.407 31.931 ( 0.661 0.000 -0.546) 0.857 32.020 ( -1.521 0.000 -0.306) 1.551 32.136 ( 3.632 0.000 3.066) 4.753 32.310 ( 0.536 0.000 0.559) 0.775 32.330 ( -1.133 0.000 -2.852) 3.069 32.349 ( -0.771 0.000 -0.486) 0.911 32.355 ( -0.844 0.000 0.090) 0.849 32.648 ( -3.178 0.000 0.843) 3.288 32.768 ( -2.556 0.000 -1.333) 2.883 32.993 ( -28.501 0.000 -44.466) 52.816 33.121 ( 1.259 0.000 4.950) 5.108 33.348 ( -1.296 0.000 -8.317) 8.417 33.475 ( 7.400 0.000 9.313) 11.895 34.415 ( -5.438 0.000 5.127) 7.473 34.664 ( -8.751 0.000 4.137) 9.679 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 9.949 19.207 12.924) 25.198 0.729 ( -0.872 15.799 19.650) 25.229 1.212 ( 6.671 25.456 23.980) 35.603 1.341 ( -14.646 2.519 -16.461) 22.177 1.580 ( -3.718 7.131 -8.650) 11.811 1.605 ( -0.892 2.249 6.333) 6.779 1.828 ( 0.640 -3.266 3.161) 4.589 1.870 ( 0.348 0.894 1.745) 1.991 1.993 ( 0.147 -0.997 -0.338) 1.063 2.021 ( -3.815 -2.308 1.789) 4.805 2.120 ( 0.139 0.507 -1.088) 1.209 2.241 ( -2.766 -3.361 -1.060) 4.480 2.255 ( -1.758 6.065 -5.716) 8.518 2.322 ( 1.345 -0.355 -1.698) 2.195 2.413 ( -0.054 0.724 -2.838) 2.929 2.508 ( 3.873 0.542 3.962) 5.567 2.567 ( -1.980 -2.431 0.498) 3.174 2.591 ( 3.967 -6.056 7.814) 10.652 2.641 ( 4.938 0.587 -3.824) 6.273 2.716 ( -3.301 2.204 2.114) 4.497 2.815 ( -5.161 2.474 -0.545) 5.749 2.885 ( 0.432 2.272 -2.060) 3.097 2.917 ( -5.955 -1.073 -5.285) 8.034 2.989 ( -1.816 -0.639 0.854) 2.106 3.077 ( 4.644 6.216 6.542) 10.149 3.108 ( 1.511 -0.872 -1.187) 2.110 3.115 ( 0.378 0.338 -1.728) 1.801 3.209 ( 3.165 -0.691 3.263) 4.598 3.254 ( 0.844 1.300 -0.028) 1.550 3.273 ( -1.628 2.730 -0.033) 3.178 3.309 ( 2.763 1.947 0.399) 3.404 3.337 ( -2.965 3.020 -2.718) 5.029 3.458 ( 2.392 -1.969 -0.432) 3.128 3.538 ( -3.350 -1.371 -1.707) 4.002 3.570 ( -2.460 4.295 -0.132) 4.952 3.595 ( 1.450 3.115 1.317) 3.680 3.643 ( -1.901 4.988 -10.421) 11.709 3.728 ( -1.346 1.475 -1.849) 2.722 3.813 ( -1.532 0.994 -1.441) 2.326 3.880 ( -1.133 -1.252 -5.526) 5.779 3.959 ( 1.081 1.771 2.710) 3.413 4.003 ( -0.336 -0.584 3.371) 3.438 4.062 ( 2.697 0.956 2.559) 3.838 4.237 ( 0.662 -0.314 -1.303) 1.495 4.285 ( 2.345 -1.595 0.917) 2.981 4.349 ( 1.044 -2.743 1.807) 3.446 4.397 ( -3.362 2.468 -4.817) 6.372 4.513 ( 1.902 -4.784 -4.767) 7.016 4.652 ( 0.664 3.308 9.016) 9.627 4.694 ( 0.094 0.252 6.281) 6.287 4.729 ( 0.172 1.593 1.034) 1.907 4.822 ( -2.038 0.934 -5.060) 5.534 4.883 ( 0.561 1.232 -1.599) 2.095 4.941 ( -0.730 2.954 0.325) 3.060 5.043 ( 3.401 3.012 1.614) 4.822 5.055 ( -4.469 0.895 2.831) 5.365 5.330 ( -1.848 3.771 4.430) 6.104 5.444 ( -3.553 -0.211 2.269) 4.221 5.522 ( 2.138 -2.321 -1.685) 3.577 5.620 ( 0.308 6.184 -5.305) 8.154 5.677 ( 1.035 2.066 -0.709) 2.417 5.708 ( -2.737 2.269 -0.400) 3.577 5.726 ( 1.728 3.269 3.034) 4.783 5.957 ( 0.269 14.957 -13.223) 19.966 5.991 ( 0.884 -1.071 -0.915) 1.663 6.059 ( 2.990 3.236 -4.472) 6.278 6.271 ( -3.148 -3.489 7.830) 9.132 6.353 ( -2.996 0.804 5.049) 5.926 6.549 ( 2.607 -8.557 -2.019) 9.170 6.630 ( -0.449 -5.609 -0.700) 5.670 6.924 ( -3.193 -7.658 -0.425) 8.308 7.054 ( 22.998 -10.129 -9.656) 26.921 8.995 ( 0.405 -0.561 2.124) 2.234 9.113 ( -2.896 -1.454 -3.850) 5.033 9.214 ( -1.151 -2.587 0.407) 2.861 9.233 ( 3.653 -2.368 0.695) 4.408 9.351 ( 1.616 0.516 0.131) 1.701 9.447 ( -0.239 1.116 -2.881) 3.099 9.469 ( -2.608 -1.076 2.501) 3.771 9.528 ( 0.608 0.709 0.265) 0.971 10.148 ( -0.536 0.561 1.964) 2.112 10.255 ( 0.604 0.436 -3.236) 3.320 10.346 ( -3.057 0.411 3.133) 4.397 10.437 ( 2.176 3.051 -1.412) 4.005 11.779 ( -1.019 1.054 -0.847) 1.693 11.813 ( 2.981 3.333 -2.732) 5.240 11.879 ( -1.605 -0.518 1.577) 2.308 11.935 ( 1.205 1.290 -1.086) 2.073 13.291 ( 1.833 -0.206 1.003) 2.099 13.329 ( -0.327 -0.152 -1.507) 1.549 13.396 ( -0.046 -0.935 0.878) 1.284 13.414 ( 0.637 0.228 -0.016) 0.676 14.542 ( -1.349 1.218 1.147) 2.149 14.590 ( 1.619 1.086 -1.011) 2.196 14.680 ( -2.844 -1.950 1.167) 3.640 14.715 ( 1.492 0.078 -0.750) 1.671 14.996 ( 0.834 -4.112 4.636) 6.253 15.050 ( 2.413 0.122 -0.364) 2.443 15.073 ( -1.761 -0.915 -0.429) 2.030 15.085 ( -2.009 -1.400 -0.381) 2.478 15.260 ( -17.014 -8.819 12.938) 23.122 15.355 ( -1.946 -4.661 7.549) 9.083 15.618 ( -8.175 -6.650 4.241) 11.360 15.880 ( 4.686 -8.956 -3.931) 10.845 16.222 ( 0.775 5.017 0.607) 5.112 16.281 ( 1.290 2.860 -2.534) 4.032 16.297 ( 0.176 1.347 0.443) 1.429 16.314 ( -3.995 1.543 -0.347) 4.296 17.546 ( -0.835 0.114 1.141) 1.419 17.593 ( 1.370 0.175 -0.942) 1.672 17.665 ( -0.602 -1.051 0.440) 1.289 17.696 ( 0.660 -0.912 -0.662) 1.306 20.713 ( -1.791 0.327 1.923) 2.648 20.779 ( 5.003 -0.059 -0.388) 5.018 21.001 ( -0.465 -1.775 0.492) 1.900 21.043 ( 1.251 -2.303 -0.712) 2.715 25.214 ( 2.860 -2.313 6.744) 7.682 25.499 ( -29.178 -19.570 13.864) 37.770 25.636 ( -22.717 -14.243 6.097) 27.497 25.969 ( 22.335 -14.360 0.445) 26.557 28.347 ( -0.123 0.048 0.696) 0.709 28.379 ( 0.013 -0.900 -0.520) 1.039 28.386 ( -1.626 -1.134 0.978) 2.210 28.416 ( 1.188 -1.456 -0.451) 1.933 29.651 ( 1.120 -0.396 0.571) 1.318 29.677 ( -1.339 -0.541 -0.572) 1.553 29.786 ( 0.713 0.145 0.843) 1.113 29.819 ( -0.213 0.579 -0.693) 0.928 31.942 ( -0.436 1.175 1.314) 1.816 32.005 ( 1.297 2.220 -1.586) 3.020 32.010 ( 1.747 5.612 1.338) 6.028 32.062 ( -2.934 5.756 -0.555) 6.484 32.336 ( 0.658 1.712 0.244) 1.850 32.374 ( -0.962 3.539 -1.499) 3.962 32.433 ( 0.986 7.606 2.307) 8.009 32.576 ( -5.135 4.558 -4.734) 8.340 32.731 ( -6.085 8.296 -4.332) 11.163 32.778 ( -1.396 6.329 -4.650) 7.977 33.135 ( -0.552 -1.157 6.109) 6.242 33.323 ( 1.564 -3.663 -3.125) 5.063 33.523 ( -8.475 1.823 1.421) 8.785 33.721 ( 25.682 13.621 -14.955) 32.692 34.394 ( 1.868 -8.026 5.657) 9.995 34.548 ( 11.582 -3.299 -4.969) 13.028 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -2.084 10.733 8.109) 13.613 0.975 ( 4.004 11.489 10.340) 15.967 1.041 ( 7.683 5.729 4.585) 10.624 1.446 ( 0.686 5.870 -1.305) 6.052 1.495 ( -1.743 7.057 -3.820) 8.212 1.691 ( 1.394 2.596 13.182) 13.507 1.757 ( -8.665 1.182 2.032) 8.978 1.886 ( 8.260 7.999 7.429) 13.689 1.971 ( -1.724 6.138 -2.975) 7.036 2.007 ( 2.524 0.923 0.543) 2.741 2.115 ( 1.102 -0.893 -0.215) 1.435 2.184 ( -0.942 -3.061 0.600) 3.259 2.228 ( 1.361 4.210 -5.849) 7.334 2.358 ( 3.266 0.528 -3.314) 4.683 2.420 ( 0.191 -0.976 -1.345) 1.673 2.512 ( -0.966 0.504 0.887) 1.405 2.557 ( 0.140 -0.237 -0.569) 0.632 2.605 ( -2.631 -2.099 -1.438) 3.660 2.675 ( -3.120 -1.034 -1.818) 3.756 2.751 ( 3.555 3.154 6.244) 7.847 2.783 ( -3.009 0.360 -4.015) 5.031 2.842 ( -2.288 -1.502 3.532) 4.469 2.857 ( 1.622 -2.156 2.421) 3.625 2.962 ( 3.193 1.349 0.064) 3.467 3.048 ( -9.011 -1.174 -4.120) 9.978 3.119 ( -0.771 1.925 -1.195) 2.393 3.141 ( -4.227 2.107 -4.660) 6.635 3.178 ( 3.110 -0.327 0.797) 3.227 3.203 ( -3.844 -1.289 -1.095) 4.200 3.297 ( 2.076 -0.534 -0.292) 2.163 3.308 ( 0.719 4.892 2.323) 5.463 3.344 ( 0.613 3.272 4.241) 5.391 3.479 ( -1.141 -0.744 -4.371) 4.578 3.503 ( 0.046 7.403 -1.493) 7.552 3.566 ( 2.440 8.325 -2.556) 9.044 3.582 ( 0.677 2.311 1.325) 2.748 3.666 ( 1.245 -0.351 0.859) 1.553 3.695 ( -0.137 -0.062 2.101) 2.106 3.788 ( 2.598 0.597 -1.744) 3.185 3.849 ( -2.025 1.537 -1.088) 2.765 4.022 ( 3.805 -1.079 1.784) 4.339 4.039 ( 1.893 0.488 4.192) 4.625 4.122 ( -3.280 3.460 -5.387) 7.194 4.196 ( 1.706 0.017 0.470) 1.769 4.283 ( -4.161 0.243 0.136) 4.171 4.352 ( -0.076 0.379 -1.465) 1.515 4.444 ( 7.020 1.312 -4.615) 8.503 4.520 ( 0.478 -4.122 -3.815) 5.637 4.625 ( -7.862 -0.933 0.751) 7.953 4.704 ( -1.459 -2.960 5.263) 6.212 4.737 ( 0.979 0.693 4.519) 4.675 4.793 ( 1.292 3.845 2.385) 4.706 4.833 ( -4.274 1.084 -0.923) 4.504 4.901 ( -1.893 3.139 0.248) 3.674 4.996 ( -0.391 -0.108 0.054) 0.409 5.096 ( 0.613 2.775 1.614) 3.269 5.235 ( -7.335 3.602 2.831) 8.648 5.399 ( -2.490 -2.505 2.532) 4.346 5.508 ( -5.109 3.083 -0.805) 6.021 5.546 ( -2.889 5.921 -0.745) 6.630 5.639 ( -6.941 2.153 -1.656) 7.454 5.663 ( 0.994 0.483 -1.589) 1.935 5.756 ( 1.288 1.192 1.032) 2.036 5.954 ( 1.457 4.048 -6.843) 8.082 6.013 ( 3.683 1.133 -2.813) 4.771 6.089 ( 0.969 0.181 -1.486) 1.784 6.218 ( -4.655 -1.531 2.241) 5.388 6.365 ( 1.763 0.990 3.718) 4.233 6.568 ( 0.813 -5.825 -0.554) 5.908 6.636 ( 4.891 -3.905 -1.080) 6.351 6.956 ( 5.179 -5.606 -2.420) 8.007 7.386 ( 9.047 -18.764 -9.060) 22.716 9.038 ( 2.371 -1.088 2.616) 3.695 9.059 ( -1.080 -0.575 -1.765) 2.147 9.188 ( -0.510 -1.384 -1.197) 1.900 9.303 ( 0.718 -1.623 1.062) 2.068 9.403 ( 4.284 -1.014 -0.442) 4.425 9.444 ( -0.104 -0.171 -1.340) 1.355 9.454 ( 2.538 -0.355 0.487) 2.609 9.537 ( -0.294 0.830 1.003) 1.335 10.151 ( 0.238 0.917 1.490) 1.765 10.254 ( 1.063 0.672 -2.954) 3.211 10.305 ( -2.587 -0.437 1.851) 3.211 10.449 ( -0.210 3.245 -1.108) 3.436 11.760 ( -0.337 1.039 -1.342) 1.730 11.805 ( -2.083 1.735 1.452) 3.075 11.881 ( 0.899 -0.230 -1.430) 1.705 11.939 ( -0.434 1.835 -0.269) 1.905 13.301 ( -0.307 -0.599 -1.010) 1.214 13.350 ( 1.554 -2.090 0.072) 2.605 13.384 ( -0.687 -1.146 -0.011) 1.336 13.438 ( 1.405 0.408 -0.678) 1.612 14.534 ( 0.008 0.630 0.255) 0.679 14.597 ( -1.132 0.808 0.818) 1.614 14.659 ( 1.016 -1.059 0.094) 1.471 14.732 ( 0.898 0.954 -0.471) 1.392 14.933 ( -13.759 -0.160 15.740) 20.906 15.023 ( -2.414 1.250 1.411) 3.063 15.056 ( 2.579 -3.127 3.540) 5.382 15.093 ( 0.235 -0.706 -2.941) 3.034 15.122 ( 3.265 -0.047 -2.855) 4.337 15.374 ( -1.233 -2.395 7.856) 8.305 15.499 ( -4.986 0.286 -0.415) 5.011 15.952 ( 1.774 -8.403 -0.816) 8.626 16.166 ( -2.447 3.061 -0.101) 3.920 16.252 ( -1.297 2.047 -0.249) 2.436 16.299 ( 0.169 1.852 -0.164) 1.866 16.352 ( 0.925 1.871 1.286) 2.452 17.525 ( -1.672 0.271 0.894) 1.915 17.607 ( 0.815 -0.038 -1.295) 1.530 17.650 ( -1.235 -1.008 0.491) 1.668 17.707 ( 0.419 -1.250 -0.469) 1.399 20.719 ( 2.106 -1.134 0.534) 2.451 20.860 ( 3.137 -1.047 -0.139) 3.309 20.988 ( -1.060 -1.882 -0.079) 2.162 21.063 ( 1.003 -1.676 -0.822) 2.119 25.125 ( -11.572 -2.483 10.222) 15.638 25.330 ( 3.132 -3.416 13.310) 14.094 25.352 ( -9.225 -2.544 -6.315) 11.465 26.461 ( 20.883 -23.349 7.574) 32.227 28.333 ( -1.432 0.155 0.669) 1.588 28.362 ( -1.104 -0.687 -0.631) 1.445 28.378 ( -0.119 0.096 0.706) 0.722 28.454 ( 2.517 -3.758 0.326) 4.535 29.647 ( -1.043 -0.057 -0.511) 1.163 29.675 ( 0.715 -0.453 0.682) 1.087 29.804 ( 1.130 0.137 0.090) 1.142 29.841 ( 2.266 0.413 -0.373) 2.333 31.906 ( -2.276 1.428 1.156) 2.925 31.959 ( -3.259 1.646 -1.586) 3.981 32.068 ( 2.391 6.043 -0.778) 6.545 32.101 ( 5.055 5.084 2.071) 7.462 32.351 ( 0.278 1.806 -0.802) 1.995 32.365 ( 0.951 3.088 0.317) 3.247 32.452 ( -1.012 8.269 -0.381) 8.340 32.509 ( 1.672 12.644 3.899) 13.337 32.714 ( 1.799 3.535 0.716) 4.031 32.750 ( 0.586 5.947 -2.509) 6.481 33.107 ( -9.303 -0.569 -0.456) 9.332 33.206 ( -12.352 1.722 -3.711) 13.012 33.279 ( -6.958 -1.605 -2.139) 7.454 33.894 ( 6.691 1.413 -12.143) 13.936 34.468 ( 6.025 -8.311 -0.707) 10.289 34.769 ( 5.461 -9.501 -2.939) 11.346 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 7.960 8.906 10.435) 15.861 1.105 ( 4.751 8.009 12.062) 15.238 1.277 ( -7.129 6.553 9.931) 13.870 1.403 ( 10.227 4.779 0.150) 11.289 1.526 ( 2.630 3.222 0.354) 4.174 1.614 ( -6.487 1.233 4.206) 7.829 1.620 ( -3.837 1.992 1.447) 4.559 1.852 ( -6.287 11.377 -2.762) 13.289 2.009 ( -0.947 5.779 -5.949) 8.348 2.075 ( -1.317 -5.833 0.972) 6.058 2.117 ( 3.294 2.779 2.712) 5.092 2.175 ( 0.572 -4.099 -6.259) 7.504 2.331 ( -2.557 -6.190 0.082) 6.698 2.396 ( 1.594 3.694 -1.489) 4.290 2.409 ( -3.278 -2.543 -8.453) 9.416 2.477 ( 2.696 4.208 -5.116) 7.152 2.558 ( 2.801 0.988 -2.955) 4.190 2.629 ( -0.214 -3.238 7.824) 8.470 2.670 ( 6.742 -1.456 3.053) 7.543 2.721 ( 4.602 1.107 -0.925) 4.823 2.840 ( 1.068 0.659 -0.845) 1.513 2.871 ( -0.580 3.753 4.833) 6.147 2.895 ( 4.878 2.010 9.524) 10.888 2.950 ( 0.801 1.966 1.808) 2.789 3.006 ( -5.935 1.687 -5.220) 8.081 3.049 ( 3.319 -0.429 -2.126) 3.965 3.108 ( 1.794 2.464 0.682) 3.123 3.149 ( -0.454 -2.128 -2.425) 3.258 3.218 ( 2.128 -2.239 -4.561) 5.508 3.327 ( 1.070 2.462 -0.053) 2.685 3.351 ( -2.139 2.687 1.786) 3.871 3.361 ( 1.105 -0.083 2.303) 2.556 3.444 ( 2.656 -2.189 -2.478) 4.241 3.515 ( 0.685 4.310 0.424) 4.385 3.563 ( -1.151 3.153 0.001) 3.356 3.612 ( 0.063 2.144 1.218) 2.466 3.669 ( 1.028 4.811 -0.982) 5.017 3.700 ( -0.907 1.937 0.129) 2.143 3.760 ( -5.631 3.495 -1.498) 6.794 3.861 ( 0.251 0.379 -1.395) 1.467 3.932 ( -11.536 4.065 1.501) 12.323 3.982 ( -6.872 6.588 -7.775) 12.291 4.109 ( 1.087 -2.195 1.759) 3.015 4.191 ( -2.539 -0.713 -0.107) 2.639 4.238 ( -1.922 3.896 2.007) 4.786 4.341 ( 3.966 -0.540 3.975) 5.641 4.404 ( -1.606 2.670 0.339) 3.134 4.539 ( 1.294 -3.559 -4.589) 5.950 4.673 ( 3.189 -1.653 -0.551) 3.634 4.685 ( -0.163 -2.189 -0.127) 2.199 4.754 ( -1.142 -1.504 1.621) 2.488 4.789 ( 0.829 -0.980 -0.462) 1.364 4.812 ( -0.014 2.765 3.085) 4.142 4.911 ( -0.219 2.441 5.180) 5.730 5.038 ( 2.463 -0.449 -2.778) 3.739 5.068 ( -1.954 2.425 -1.075) 3.295 5.151 ( -1.551 -2.167 1.804) 3.218 5.374 ( -1.048 1.551 2.207) 2.894 5.407 ( -4.214 1.819 -2.248) 5.111 5.486 ( -5.794 -1.769 1.698) 6.292 5.511 ( -3.557 4.830 0.816) 6.054 5.697 ( 3.505 1.237 -1.148) 3.890 5.778 ( 1.032 1.622 -3.374) 3.883 5.942 ( 0.395 -1.815 -3.190) 3.692 6.032 ( 0.184 -0.943 -2.586) 2.759 6.071 ( -2.909 1.461 2.867) 4.338 6.185 ( 2.022 3.227 -4.473) 5.875 6.369 ( -3.074 -3.648 -1.138) 4.904 6.660 ( 8.679 -0.631 4.865) 9.970 6.777 ( 9.487 -3.852 -1.274) 10.318 7.011 ( 1.010 -4.911 -1.724) 5.302 7.298 ( -12.767 -10.605 -1.058) 16.631 9.037 ( -0.225 -0.209 -0.071) 0.316 9.103 ( 1.677 -1.936 2.176) 3.361 9.182 ( 0.328 -0.959 0.700) 1.232 9.289 ( -1.613 0.131 1.390) 2.133 9.442 ( 1.371 0.175 -2.100) 2.514 9.474 ( 3.162 -0.794 -0.381) 3.283 9.529 ( -0.943 1.087 0.355) 1.482 9.541 ( 4.776 -2.654 0.084) 5.464 10.179 ( 2.335 0.958 -0.174) 2.530 10.262 ( 0.148 -0.868 -2.040) 2.222 10.275 ( -0.306 1.414 0.761) 1.635 10.423 ( -1.741 3.510 -1.315) 4.133 11.755 ( -0.376 0.205 0.405) 0.589 11.782 ( -0.289 -0.833 -0.453) 0.991 11.889 ( 0.704 1.536 -0.854) 1.893 11.918 ( -1.874 2.370 0.587) 3.078 13.296 ( 0.444 -0.455 -0.859) 1.068 13.350 ( -0.938 -1.901 -0.341) 2.147 13.384 ( -0.009 -1.879 1.233) 2.247 13.449 ( 0.275 -0.007 -0.855) 0.898 14.546 ( 1.390 0.181 -0.475) 1.480 14.579 ( -1.024 0.976 0.315) 1.449 14.691 ( 1.912 -0.018 -0.561) 1.993 14.731 ( -1.663 3.018 0.757) 3.528 14.869 ( -0.051 0.856 5.548) 5.614 14.992 ( -1.541 1.667 1.294) 2.614 15.081 ( 0.787 -1.360 -5.063) 5.301 15.126 ( 2.458 -3.414 3.070) 5.208 15.173 ( 3.450 -0.120 -2.272) 4.132 15.385 ( -1.576 -2.455 5.909) 6.590 15.428 ( -3.715 -0.843 5.000) 6.286 15.924 ( -2.792 -3.466 -2.424) 5.068 16.164 ( 1.265 -0.887 0.173) 1.554 16.227 ( -1.220 0.987 -0.121) 1.574 16.301 ( 0.278 1.797 0.051) 1.819 16.341 ( -2.254 1.186 1.563) 2.988 17.502 ( -1.197 0.478 0.956) 1.604 17.605 ( -0.122 -0.374 -2.762) 2.790 17.634 ( -0.803 -0.691 1.689) 1.994 17.701 ( -0.458 -1.252 -0.864) 1.589 20.782 ( 4.071 -2.620 0.109) 4.843 20.899 ( 0.792 -0.951 -0.052) 1.239 20.965 ( -0.993 -1.345 0.377) 1.713 21.062 ( -0.548 -0.623 -1.233) 1.486 25.069 ( 0.206 -0.666 -0.610) 0.926 25.204 ( -4.214 -1.431 -3.671) 5.769 25.479 ( 3.672 -5.081 20.160) 21.112 26.683 ( 1.738 -24.124 -1.372) 24.226 28.312 ( -1.109 0.290 0.626) 1.306 28.341 ( -0.812 -0.563 -0.559) 1.135 28.379 ( -0.173 0.132 0.881) 0.907 28.487 ( 0.678 -5.446 -0.656) 5.527 29.635 ( -0.066 0.305 -0.293) 0.428 29.681 ( -0.119 0.050 -0.174) 0.217 29.832 ( 1.519 0.326 0.383) 1.600 29.874 ( 1.391 0.060 -0.423) 1.455 31.884 ( -0.584 0.003 0.465) 0.747 31.909 ( -1.713 -0.267 -0.541) 1.816 32.106 ( 1.943 6.277 -0.264) 6.576 32.178 ( 2.102 3.980 0.193) 4.505 32.353 ( 0.885 2.976 -1.227) 3.338 32.383 ( 0.342 4.619 0.545) 4.664 32.441 ( 0.237 6.755 -0.485) 6.776 32.566 ( -4.818 20.561 7.356) 22.362 32.738 ( 3.933 1.551 -0.943) 4.332 32.813 ( 4.750 2.013 1.957) 5.517 32.852 ( -4.246 -0.121 -3.676) 5.617 33.125 ( -7.868 -2.397 -2.143) 8.500 33.146 ( -2.050 -0.759 3.724) 4.318 33.944 ( 6.843 1.743 -16.823) 18.245 34.571 ( 4.673 -8.414 -0.467) 9.636 34.737 ( -5.966 -5.434 1.680) 8.243 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( -3.353 4.467 18.526) 19.350 1.114 ( -6.225 12.466 4.867) 14.760 1.239 ( 3.477 2.848 4.269) 6.199 1.424 ( -5.500 -1.132 -2.114) 6.000 1.509 ( -6.560 2.722 3.916) 8.111 1.633 ( -3.260 11.032 3.022) 11.894 1.663 ( 5.930 3.676 4.720) 8.424 1.817 ( 7.582 6.501 5.685) 11.493 2.022 ( 0.384 -5.404 -5.125) 7.458 2.115 ( 5.761 0.869 4.273) 7.225 2.142 ( 2.812 0.847 -4.122) 5.061 2.167 ( -0.144 0.914 -0.792) 1.218 2.277 ( -0.624 -2.773 -3.993) 4.901 2.320 ( -0.320 -1.415 -6.013) 6.186 2.423 ( 1.404 3.049 -0.761) 3.442 2.493 ( 1.949 5.028 -7.569) 9.294 2.567 ( 1.160 1.141 -2.682) 3.137 2.588 ( -1.958 -7.573 5.991) 9.852 2.694 ( -7.105 1.182 -5.226) 8.899 2.767 ( -1.998 3.021 -1.329) 3.858 2.818 ( -2.180 1.166 -0.899) 2.631 2.866 ( -5.131 3.420 1.951) 6.467 2.895 ( -0.998 -0.173 -1.392) 1.722 2.948 ( 1.647 -1.333 -2.687) 3.422 3.056 ( 0.240 -3.548 4.467) 5.710 3.095 ( -2.088 0.963 -2.031) 3.068 3.130 ( 1.638 -1.611 -0.649) 2.387 3.178 ( -1.139 2.985 -2.381) 3.984 3.259 ( 4.376 -0.141 0.423) 4.399 3.307 ( 0.121 0.955 -3.771) 3.892 3.325 ( -0.235 -0.492 3.040) 3.089 3.369 ( -1.185 3.055 -0.423) 3.305 3.445 ( -4.384 1.815 2.194) 5.228 3.524 ( 1.052 3.036 2.288) 3.945 3.566 ( 0.343 0.440 -0.207) 0.595 3.616 ( -0.981 1.776 0.779) 2.174 3.636 ( 4.329 1.536 -1.892) 4.968 3.682 ( 2.254 3.827 0.798) 4.513 3.727 ( 2.904 5.240 0.747) 6.037 3.850 ( -1.302 4.622 -2.988) 5.656 3.883 ( 10.720 4.163 4.535) 12.362 3.983 ( 6.045 -0.742 5.285) 8.064 4.070 ( -8.618 1.500 -2.950) 9.232 4.100 ( -5.326 5.026 -0.830) 7.370 4.257 ( 1.558 1.300 2.765) 3.430 4.375 ( 1.845 1.672 3.508) 4.302 4.451 ( -1.314 -2.712 0.521) 3.058 4.512 ( 1.450 -4.591 -8.166) 9.480 4.665 ( 0.986 0.846 0.079) 1.302 4.701 ( -1.675 0.121 1.870) 2.513 4.754 ( 0.387 -1.872 -2.031) 2.789 4.790 ( 0.321 2.391 -0.595) 2.485 4.820 ( -3.213 -0.592 0.902) 3.390 4.882 ( -4.578 0.503 8.220) 9.423 4.991 ( -0.563 4.249 -6.569) 7.844 5.094 ( 1.298 -1.805 -2.977) 3.716 5.181 ( 1.646 -2.586 4.257) 5.246 5.336 ( -1.653 -0.322 -3.593) 3.968 5.386 ( 0.366 1.981 2.148) 2.945 5.425 ( -0.693 3.773 2.433) 4.542 5.497 ( 0.770 -1.943 3.749) 4.292 5.739 ( -2.213 2.364 -3.578) 4.826 5.781 ( 4.204 1.496 -2.171) 4.962 5.950 ( 3.972 -4.401 -6.522) 8.813 6.023 ( -0.337 1.936 1.546) 2.500 6.060 ( 1.500 -1.324 0.450) 2.051 6.218 ( 2.821 3.237 -1.963) 4.721 6.286 ( -4.186 -2.631 -2.853) 5.709 6.833 ( 2.946 -1.999 2.331) 4.255 6.910 ( -0.039 -4.655 -0.078) 4.656 6.984 ( -1.067 -5.217 1.431) 5.514 7.047 ( -6.534 -2.905 0.540) 7.171 9.042 ( 0.380 -0.202 1.260) 1.331 9.099 ( -1.850 -1.203 -0.576) 2.280 9.213 ( 0.918 -2.102 3.693) 4.347 9.277 ( -0.415 0.297 1.377) 1.468 9.462 ( 1.392 -0.180 -0.678) 1.559 9.501 ( -1.881 -0.615 -1.692) 2.604 9.522 ( 1.500 -0.492 0.833) 1.785 9.582 ( -0.002 -0.819 -1.464) 1.677 10.216 ( 0.718 0.042 -0.757) 1.044 10.244 ( 0.479 -0.015 -1.116) 1.214 10.302 ( 1.716 1.946 0.957) 2.765 10.382 ( -1.319 3.394 -2.426) 4.376 11.741 ( -1.106 -1.565 0.974) 2.149 11.800 ( 2.591 -0.630 -1.986) 3.325 11.881 ( -2.324 2.699 0.941) 3.684 11.901 ( 0.608 2.347 0.066) 2.425 13.310 ( 1.271 -0.568 -0.117) 1.397 13.328 ( -1.050 -1.752 -1.156) 2.347 13.385 ( -0.797 -1.588 1.840) 2.558 13.444 ( -0.260 -0.403 -0.747) 0.888 14.561 ( -0.433 0.687 -0.178) 0.831 14.579 ( 2.035 0.606 -1.035) 2.362 14.688 ( -3.089 2.085 2.316) 4.388 14.717 ( 0.884 0.986 -0.142) 1.332 14.928 ( 3.614 -0.077 0.058) 3.615 14.981 ( -0.498 1.372 1.499) 2.092 15.069 ( 0.782 -1.511 -5.138) 5.413 15.169 ( 2.476 -0.174 -2.503) 3.525 15.227 ( 1.784 -1.382 3.615) 4.262 15.356 ( -2.011 -3.440 -1.711) 4.337 15.433 ( -2.163 -2.899 16.037) 16.440 15.861 ( -1.418 -1.695 -5.379) 5.815 16.191 ( 1.426 -0.779 0.196) 1.637 16.207 ( -0.997 -0.034 -0.155) 1.010 16.306 ( -1.562 1.072 0.956) 2.122 16.318 ( 1.198 1.431 0.531) 1.940 17.496 ( -0.016 0.619 1.350) 1.486 17.583 ( -0.475 -0.571 -2.639) 2.742 17.637 ( 0.279 -0.350 1.084) 1.173 17.691 ( 0.072 -1.185 -1.070) 1.598 20.846 ( 1.454 -2.512 0.345) 2.923 20.869 ( -2.441 -3.239 -0.542) 4.092 20.971 ( 0.275 0.683 1.106) 1.329 21.039 ( -0.679 -0.026 -1.870) 1.990 25.082 ( 1.752 -0.869 -2.690) 3.326 25.159 ( 1.101 -1.053 -2.999) 3.364 25.664 ( 2.977 -9.182 29.185) 30.739 26.570 ( -7.895 -18.803 -14.464) 25.001 28.304 ( -0.105 0.281 0.674) 0.737 28.331 ( 0.113 -0.523 -0.584) 0.792 28.384 ( 0.076 -0.027 1.424) 1.426 28.473 ( -0.942 -4.051 -2.459) 4.831 29.639 ( 0.399 0.731 0.313) 0.890 29.672 ( -0.462 0.098 -0.954) 1.065 29.852 ( -0.006 0.481 0.872) 0.996 29.885 ( 0.166 -0.355 -0.656) 0.764 31.880 ( -0.814 -1.109 0.497) 1.463 31.896 ( 1.073 -0.599 -0.206) 1.246 32.131 ( 0.604 6.167 0.527) 6.219 32.176 ( -1.525 4.892 -1.841) 5.445 32.372 ( 0.790 3.662 -0.419) 3.770 32.386 ( 0.542 5.689 -0.895) 5.784 32.442 ( -1.688 8.764 0.706) 8.953 32.456 ( -2.628 9.035 -0.790) 9.442 32.814 ( 3.036 1.032 0.972) 3.351 32.857 ( -3.055 0.974 -0.795) 3.304 32.921 ( 4.551 1.757 8.315) 9.640 33.032 ( 2.042 -2.265 -0.885) 3.175 33.167 ( 1.402 1.171 9.281) 9.459 33.952 ( 4.543 3.047 -24.726) 25.324 34.574 ( -6.846 -5.926 5.840) 10.775 34.675 ( 0.729 -5.661 -0.727) 5.754 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -12.276 13.738 14.226) 23.277 1.109 ( -11.897 11.747 8.536) 18.772 1.309 ( 6.482 1.713 11.173) 13.030 1.353 ( -0.161 5.166 -1.601) 5.410 1.426 ( 1.174 -2.357 0.248) 2.645 1.656 ( 0.662 11.537 10.990) 15.948 1.785 ( -2.338 0.924 -1.590) 2.975 1.910 ( 3.570 4.352 0.388) 5.642 1.928 ( -11.919 -0.151 -8.124) 14.425 2.010 ( -7.181 -2.508 -5.833) 9.585 2.165 ( 7.108 -2.054 -0.193) 7.401 2.210 ( -2.105 0.199 -0.482) 2.169 2.243 ( -0.363 -4.358 0.207) 4.378 2.335 ( 1.729 6.152 -6.094) 8.830 2.451 ( 1.850 3.606 -4.735) 6.233 2.479 ( -4.424 5.268 -4.486) 8.213 2.524 ( 5.034 0.125 -3.851) 6.339 2.622 ( 0.235 -6.166 4.914) 7.888 2.658 ( 5.361 0.449 5.894) 7.980 2.733 ( 0.994 -0.285 5.695) 5.789 2.803 ( 1.183 1.764 0.029) 2.124 2.818 ( -3.018 2.459 0.517) 3.927 2.838 ( -1.644 -0.019 2.840) 3.282 2.989 ( 2.242 0.073 -4.338) 4.884 3.025 ( -2.517 0.804 -4.812) 5.489 3.082 ( -0.626 -1.342 -1.283) 1.959 3.156 ( 3.702 -2.663 7.708) 8.956 3.184 ( 1.766 1.816 2.266) 3.398 3.258 ( -2.604 2.694 -4.099) 5.554 3.329 ( -0.209 -0.161 3.702) 3.711 3.341 ( 2.199 -0.872 -0.350) 2.391 3.360 ( 0.457 2.035 0.068) 2.087 3.429 ( 0.018 1.525 1.016) 1.833 3.521 ( -1.933 2.350 -0.692) 3.120 3.543 ( 0.801 -0.198 -0.558) 0.996 3.604 ( -7.709 5.057 -2.747) 9.620 3.641 ( -3.006 2.457 -2.591) 4.668 3.733 ( 2.290 2.504 -1.941) 3.909 3.763 ( 1.157 2.113 3.279) 4.069 3.874 ( 5.594 0.272 -1.816) 5.888 3.917 ( 3.372 6.315 -6.417) 9.613 4.027 ( -2.829 2.997 -0.569) 4.161 4.137 ( 7.854 -0.004 3.551) 8.619 4.218 ( 8.879 -1.070 3.346) 9.548 4.268 ( -0.805 0.775 -2.336) 2.590 4.350 ( -7.400 -1.345 -1.290) 7.631 4.424 ( 2.460 -1.167 2.740) 3.862 4.532 ( 5.105 1.386 -0.380) 5.303 4.661 ( -2.365 -0.134 2.602) 3.519 4.675 ( -5.534 -0.106 -2.833) 6.218 4.720 ( 2.991 2.568 2.426) 4.628 4.789 ( -0.476 2.880 -1.127) 3.129 4.801 ( 0.548 -0.383 -2.816) 2.895 4.853 ( -2.033 -3.230 8.131) 8.982 4.965 ( 0.579 5.832 -4.642) 7.476 5.062 ( -2.277 -1.626 -0.008) 2.798 5.240 ( 1.803 -0.620 4.467) 4.857 5.335 ( 4.011 0.594 -3.191) 5.159 5.414 ( 1.761 3.968 2.214) 4.873 5.443 ( 1.138 2.016 -0.106) 2.318 5.580 ( 5.391 -2.210 4.746) 7.515 5.666 ( -2.843 -1.774 -3.772) 5.045 5.789 ( -1.827 2.965 -1.365) 3.740 5.997 ( 1.508 0.812 -1.954) 2.598 6.053 ( 1.925 0.591 0.446) 2.062 6.158 ( 10.428 -1.321 -10.409) 14.793 6.205 ( -0.658 -1.763 -3.013) 3.552 6.256 ( 1.111 1.105 2.254) 2.746 6.639 ( -15.415 -2.622 4.981) 16.411 6.816 ( -7.644 -3.663 -0.789) 8.513 7.049 ( 4.834 -1.115 -6.218) 7.954 7.100 ( 1.404 -7.382 4.783) 8.908 9.042 ( -2.182 -1.034 -0.015) 2.415 9.076 ( 1.149 -0.092 1.279) 1.722 9.236 ( -0.081 -2.069 2.895) 3.559 9.277 ( -0.680 -0.948 0.673) 1.347 9.426 ( -4.816 -2.518 -2.810) 6.118 9.476 ( -0.033 -0.518 0.710) 0.879 9.522 ( -1.370 0.583 -0.431) 1.550 9.567 ( -0.587 0.992 -0.187) 1.168 10.197 ( -1.906 -0.557 0.249) 2.001 10.255 ( 0.663 1.738 -1.939) 2.687 10.338 ( 1.481 1.732 1.741) 2.868 10.371 ( 1.675 2.591 -3.093) 4.369 11.734 ( 0.207 -1.376 0.107) 1.396 11.837 ( -0.808 -0.677 1.388) 1.743 11.852 ( 1.883 3.019 -2.445) 4.317 11.911 ( 0.175 2.201 0.703) 2.317 13.300 ( -1.062 -1.528 -1.550) 2.422 13.339 ( 1.519 -0.519 0.691) 1.747 13.374 ( -1.097 -1.038 0.667) 1.651 13.434 ( -0.602 -0.581 -0.099) 0.843 14.557 ( 0.367 0.664 -0.857) 1.145 14.602 ( -0.458 1.701 0.743) 1.912 14.655 ( -0.121 0.525 0.116) 0.551 14.726 ( -0.014 0.596 0.433) 0.737 14.976 ( 1.727 -0.072 -0.265) 1.748 14.983 ( -0.346 -0.372 1.007) 1.128 15.068 ( 1.570 -1.592 -3.207) 3.909 15.193 ( 0.760 1.653 -3.168) 3.653 15.260 ( -0.514 -3.237 4.805) 5.816 15.336 ( 2.117 -3.669 -1.359) 4.449 15.497 ( -0.433 -6.567 19.212) 20.308 15.834 ( 2.230 -1.327 -6.952) 7.421 16.184 ( -1.544 -1.467 0.103) 2.132 16.219 ( 1.633 0.138 0.063) 1.640 16.293 ( -0.152 1.710 0.163) 1.724 16.358 ( 2.337 1.173 1.526) 3.028 17.514 ( 0.895 0.643 1.783) 2.096 17.569 ( 0.378 -0.417 -2.403) 2.468 17.651 ( 0.681 -0.387 0.724) 1.067 17.692 ( 0.492 -1.188 -1.173) 1.740 20.781 ( -4.756 -2.411 0.137) 5.334 20.862 ( -2.131 0.015 0.025) 2.131 20.974 ( 0.321 -1.286 1.121) 1.736 21.032 ( 0.599 -0.295 -1.817) 1.936 25.105 ( 1.895 -1.214 -1.171) 2.537 25.223 ( 8.209 -1.721 -3.400) 9.051 25.873 ( 0.198 -20.891 39.398) 44.595 26.304 ( -10.654 -13.389 -19.274) 25.774 28.314 ( 0.817 0.139 0.682) 1.073 28.340 ( 1.129 -0.574 -0.605) 1.404 28.397 ( 0.269 -0.762 2.379) 2.513 28.442 ( -0.900 -2.272 -2.295) 3.353 29.650 ( 0.456 0.702 0.614) 1.038 29.656 ( -0.488 0.245 -1.098) 1.226 29.836 ( -1.879 -0.312 0.431) 1.953 29.875 ( -1.037 0.320 -0.454) 1.177 31.871 ( -0.013 -0.915 0.200) 0.937 31.929 ( 2.303 0.650 -0.285) 2.410 32.115 ( -3.128 5.647 -0.902) 6.519 32.138 ( -1.020 4.751 0.896) 4.941 32.350 ( -1.291 2.127 -0.776) 2.607 32.402 ( 0.507 6.916 -0.501) 6.953 32.415 ( -0.555 4.687 0.579) 4.755 32.499 ( 5.694 10.173 3.646) 12.215 32.746 ( -5.684 1.386 -1.309) 5.995 32.851 ( -0.506 3.946 1.137) 4.137 33.029 ( 4.928 -1.830 2.014) 5.630 33.128 ( 6.972 -2.534 -2.823) 7.938 33.298 ( 5.415 3.040 15.752) 16.932 33.826 ( -2.583 7.916 -35.560) 36.522 34.470 ( -6.745 -3.961 4.714) 9.133 34.674 ( -2.287 -7.067 1.817) 7.647 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( -16.683 12.614 9.448) 22.949 0.804 ( -16.813 20.878 0.402) 26.809 1.145 ( -12.769 24.442 14.698) 31.249 1.489 ( 2.219 0.151 -0.331) 2.249 1.600 ( 4.257 4.455 9.604) 11.411 1.676 ( 1.761 2.483 1.351) 3.331 1.757 ( 2.760 4.461 4.631) 6.998 1.787 ( 0.089 -3.400 -8.234) 8.909 1.922 ( 3.004 -3.467 2.065) 5.031 2.057 ( 6.198 -0.850 -0.456) 6.273 2.124 ( -4.731 -1.097 -2.117) 5.298 2.240 ( 0.467 -3.461 0.697) 3.562 2.277 ( 1.477 -3.059 4.519) 5.654 2.363 ( -3.354 3.373 -2.435) 5.343 2.366 ( 3.913 3.491 -3.214) 6.151 2.503 ( 2.719 -2.184 3.293) 4.796 2.530 ( -4.057 -0.355 -7.048) 8.140 2.603 ( -0.292 -2.513 -2.327) 3.437 2.660 ( -3.682 1.208 -5.993) 7.137 2.790 ( -2.622 -2.817 0.293) 3.860 2.811 ( 2.974 0.859 5.838) 6.608 2.890 ( 4.495 3.104 4.124) 6.845 2.918 ( 5.483 -0.484 6.641) 8.626 2.960 ( -0.137 6.427 0.688) 6.465 3.025 ( 1.419 0.736 -5.182) 5.423 3.113 ( 2.642 0.804 -0.322) 2.780 3.149 ( -1.603 1.691 -1.666) 2.864 3.168 ( -7.738 2.529 -8.810) 11.996 3.215 ( -0.707 -0.728 0.924) 1.372 3.313 ( -1.460 -1.124 0.512) 1.913 3.325 ( -2.490 2.588 3.709) 5.163 3.366 ( 3.349 -1.665 3.306) 4.992 3.415 ( -1.188 1.578 -4.534) 4.945 3.510 ( 2.161 0.311 3.179) 3.857 3.546 ( 4.332 2.685 0.495) 5.121 3.601 ( 4.425 3.058 -1.149) 5.501 3.637 ( 2.704 4.493 -1.750) 5.528 3.717 ( -1.827 -0.144 -1.666) 2.477 3.861 ( 2.380 4.089 0.639) 4.775 3.931 ( 1.236 -3.116 -2.901) 4.433 3.949 ( -0.521 0.599 -3.413) 3.504 4.015 ( 1.409 2.397 6.090) 6.695 4.127 ( -10.530 -1.742 -0.690) 10.695 4.196 ( -1.118 0.589 -4.976) 5.134 4.256 ( 2.427 1.557 -2.799) 4.018 4.313 ( 2.694 -2.975 4.913) 6.344 4.473 ( -2.425 3.318 -4.019) 5.748 4.560 ( -4.465 -3.345 -1.365) 5.744 4.592 ( 1.803 1.516 3.570) 4.277 4.673 ( -1.185 1.539 5.396) 5.735 4.740 ( -1.991 2.585 -0.234) 3.271 4.821 ( 3.713 2.065 0.051) 4.248 4.833 ( 5.014 1.828 -0.983) 5.427 4.920 ( 3.117 -1.089 2.545) 4.169 4.956 ( 3.562 3.792 -3.527) 6.285 5.061 ( 0.336 -0.774 5.515) 5.579 5.287 ( 1.322 3.349 4.164) 5.505 5.436 ( 2.356 4.990 3.292) 6.426 5.473 ( 6.682 2.586 -1.604) 7.342 5.502 ( 7.917 0.482 -0.586) 7.953 5.615 ( 0.319 -2.209 -2.809) 3.587 5.686 ( 2.702 -0.580 -0.478) 2.804 5.755 ( -0.999 3.923 1.681) 4.383 5.990 ( -1.389 -0.244 -0.337) 1.450 6.065 ( -0.229 3.062 -1.370) 3.362 6.096 ( -2.479 8.188 -16.490) 18.577 6.272 ( -0.633 -1.330 4.319) 4.563 6.395 ( 12.370 -6.881 -2.448) 14.365 6.436 ( -9.129 -1.679 5.213) 10.646 6.678 ( -5.604 -3.940 -1.252) 6.963 7.004 ( -4.292 -1.174 -11.468) 12.301 7.060 ( -8.321 -8.639 5.097) 13.033 9.002 ( -1.772 -0.578 0.751) 2.009 9.127 ( 3.286 -1.550 0.453) 3.661 9.218 ( -3.239 -1.310 -2.872) 4.523 9.251 ( -1.731 -3.237 2.555) 4.472 9.350 ( -1.911 -0.412 0.383) 1.992 9.476 ( -0.421 0.292 -0.743) 0.903 9.486 ( -1.367 -0.038 -0.839) 1.605 9.543 ( -2.034 0.742 0.435) 2.208 10.160 ( -2.016 0.579 1.369) 2.505 10.257 ( 0.988 1.050 -3.121) 3.438 10.366 ( -0.406 1.381 3.044) 3.367 10.397 ( 2.781 2.573 -2.715) 4.661 11.756 ( 2.623 0.385 -0.818) 2.775 11.808 ( -1.729 1.755 0.341) 2.487 11.891 ( 1.350 0.889 -0.652) 1.743 11.915 ( 0.554 1.362 -0.147) 1.478 13.278 ( -0.546 -0.363 -0.478) 0.811 13.350 ( -1.179 -0.349 -0.054) 1.230 13.373 ( 1.483 -0.706 0.271) 1.665 13.422 ( -0.857 -0.500 0.456) 1.092 14.567 ( 1.307 0.884 -1.263) 2.021 14.572 ( -2.567 1.569 1.926) 3.572 14.683 ( 2.455 -0.076 -1.415) 2.835 14.717 ( -1.440 -0.362 0.609) 1.605 14.977 ( -0.527 -2.543 1.915) 3.227 15.007 ( 1.949 0.341 0.111) 1.981 15.082 ( 0.712 -2.133 -1.101) 2.504 15.146 ( -3.524 0.894 -1.157) 3.816 15.292 ( 1.369 -3.370 3.542) 5.078 15.389 ( 0.469 -6.272 4.069) 7.492 15.603 ( 2.237 -12.851 13.949) 19.098 15.870 ( 3.161 -6.392 -4.331) 8.343 16.167 ( 0.917 1.786 -0.059) 2.009 16.251 ( 1.806 0.455 -0.114) 1.866 16.294 ( 0.092 1.808 -0.043) 1.811 16.397 ( -0.347 -1.055 1.277) 1.693 17.539 ( 0.684 0.347 1.683) 1.849 17.573 ( 1.202 0.046 -1.609) 2.009 17.665 ( 0.296 -0.768 0.717) 1.092 17.693 ( 0.268 -1.039 -1.061) 1.509 20.714 ( -1.922 -0.024 1.215) 2.274 20.795 ( -4.337 1.641 0.290) 4.646 20.994 ( 0.754 -2.247 1.064) 2.598 21.033 ( 0.485 -1.357 -1.384) 1.998 25.144 ( 2.341 -1.653 2.144) 3.579 25.445 ( 18.170 -4.827 -2.640) 18.984 25.875 ( -16.106 -23.315 5.185) 28.807 26.116 ( -12.114 -33.285 21.052) 41.205 28.335 ( 0.901 0.029 0.613) 1.090 28.363 ( 1.572 -0.785 -0.603) 1.858 28.409 ( -0.930 -2.759 2.802) 4.041 28.420 ( -0.589 -1.265 -1.394) 1.972 29.641 ( -0.090 -0.110 -0.760) 0.773 29.673 ( 1.161 0.785 0.945) 1.691 29.798 ( -2.035 -0.535 -0.005) 2.104 29.845 ( -1.846 0.712 -0.319) 2.004 31.892 ( 2.355 1.097 0.695) 2.690 31.971 ( 2.558 2.026 -1.120) 3.450 32.049 ( -3.641 4.468 -0.128) 5.766 32.116 ( -2.357 3.687 1.358) 4.582 32.333 ( -0.267 1.615 -0.411) 1.687 32.399 ( -0.773 4.674 -0.904) 4.823 32.413 ( 0.248 6.110 1.335) 6.259 32.646 ( -2.519 -0.114 1.456) 2.912 32.746 ( 12.290 7.240 7.859) 16.286 32.829 ( -0.054 5.025 -1.127) 5.150 33.102 ( 0.693 -0.526 2.620) 2.761 33.216 ( 6.654 2.843 -10.567) 12.807 33.479 ( 4.606 3.884 4.597) 7.578 33.542 ( -0.931 23.225 -33.631) 40.882 34.379 ( -4.971 -3.289 4.114) 7.243 34.594 ( -7.261 -6.617 2.178) 10.062 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 2.627 18.739 8.945) 20.930 1.081 ( -4.793 19.746 1.895) 20.407 1.386 ( -3.747 1.527 -6.570) 7.716 1.498 ( -1.888 7.252 -13.166) 15.150 1.638 ( 3.760 4.797 10.496) 12.137 1.759 ( -4.095 3.573 -0.125) 5.436 1.817 ( 1.115 0.365 3.051) 3.269 1.912 ( -1.360 2.859 1.181) 3.379 1.932 ( 3.439 -2.257 -0.309) 4.126 2.079 ( -3.069 -2.412 3.423) 5.192 2.170 ( -2.456 9.399 -3.145) 10.211 2.240 ( -0.030 6.398 2.464) 6.856 2.306 ( 5.046 -3.232 6.080) 8.536 2.381 ( 1.437 4.887 1.881) 5.430 2.447 ( 0.636 6.381 -3.645) 7.376 2.510 ( 4.759 -1.200 2.982) 5.743 2.532 ( 0.401 1.882 4.983) 5.342 2.565 ( 1.120 -0.940 2.994) 3.332 2.658 ( 1.867 2.752 -5.507) 6.433 2.767 ( -1.073 3.648 -0.378) 3.821 2.794 ( -1.485 -4.670 -1.181) 5.041 2.927 ( -5.541 -0.446 -1.348) 5.721 2.942 ( -6.207 4.168 -4.630) 8.794 3.010 ( -2.365 0.684 -7.123) 7.537 3.091 ( -0.127 -0.069 -1.584) 1.590 3.117 ( 3.626 -0.046 -1.282) 3.846 3.145 ( 0.983 -2.117 -1.854) 2.981 3.230 ( 1.036 3.067 1.852) 3.730 3.278 ( 4.705 2.590 3.939) 6.660 3.314 ( -0.897 0.647 0.308) 1.148 3.359 ( 0.307 2.236 4.378) 4.925 3.374 ( 0.088 -0.382 -0.567) 0.689 3.423 ( -2.927 2.948 -2.602) 4.902 3.506 ( -4.915 -1.145 -1.293) 5.210 3.590 ( 3.094 -0.357 5.155) 6.022 3.632 ( 3.032 0.200 3.313) 4.496 3.762 ( -1.725 3.796 -1.543) 4.446 3.800 ( 4.180 5.143 -3.826) 7.653 3.844 ( -3.482 3.870 -3.864) 6.484 3.906 ( -4.650 1.651 -2.791) 5.669 3.996 ( -2.237 4.313 1.625) 5.123 4.010 ( 1.568 -0.059 4.824) 5.073 4.042 ( 3.735 -0.440 1.989) 4.254 4.239 ( 3.880 -2.099 -3.405) 5.572 4.270 ( 1.450 -1.198 0.518) 1.951 4.319 ( 1.758 2.732 1.973) 3.801 4.448 ( 0.584 -1.931 -4.522) 4.952 4.465 ( -3.779 3.533 -5.420) 7.493 4.680 ( 3.728 0.821 2.530) 4.579 4.722 ( -3.250 2.688 3.103) 5.236 4.763 ( -2.882 0.881 1.008) 3.177 4.863 ( -0.313 2.451 -2.367) 3.421 4.887 ( -0.570 -1.530 1.036) 1.934 4.964 ( 0.847 -0.297 1.475) 1.727 5.055 ( -2.569 1.275 3.892) 4.835 5.138 ( 2.234 5.022 -0.106) 5.498 5.372 ( -0.432 3.580 -0.626) 3.660 5.446 ( -1.717 -0.838 -1.923) 2.710 5.580 ( 0.637 5.895 4.504) 7.446 5.667 ( 5.698 0.736 -0.003) 5.745 5.704 ( -0.506 0.488 -1.491) 1.648 5.736 ( -2.884 1.068 -0.742) 3.163 5.804 ( -1.866 2.862 6.931) 7.727 5.930 ( -3.705 -3.641 7.264) 8.930 6.041 ( 2.058 -4.468 5.251) 7.195 6.098 ( -0.790 -0.287 -5.795) 5.855 6.225 ( -0.830 -4.081 0.022) 4.165 6.291 ( 1.487 -4.274 -7.113) 8.430 6.457 ( 1.306 -2.561 0.892) 3.010 6.497 ( -1.125 -3.077 -1.911) 3.792 6.739 ( -0.713 -10.193 -1.221) 10.291 6.950 ( 8.621 -2.881 -15.198) 17.709 8.980 ( 0.262 -0.975 1.785) 2.050 9.073 ( -1.362 -2.550 -2.768) 4.002 9.171 ( 0.133 -1.613 0.163) 1.627 9.189 ( 1.288 -1.719 0.022) 2.148 9.357 ( 1.615 0.064 1.079) 1.943 9.438 ( -2.128 -1.146 3.039) 3.883 9.479 ( -0.589 1.062 -2.774) 3.028 9.543 ( 0.538 0.669 -1.005) 1.322 10.158 ( -0.546 0.500 2.040) 2.171 10.264 ( -0.527 -0.171 -1.322) 1.433 10.367 ( -2.559 2.164 2.531) 4.199 10.484 ( 2.259 1.752 -1.528) 3.242 11.792 ( -0.807 0.540 0.281) 1.011 11.848 ( 2.239 -0.226 -0.766) 2.378 11.895 ( -2.017 2.513 0.274) 3.234 11.963 ( 1.460 1.441 -1.457) 2.516 13.293 ( 0.261 0.339 0.807) 0.913 13.322 ( -0.120 -0.428 -0.464) 0.643 13.377 ( -0.458 -0.891 0.567) 1.151 13.410 ( 1.238 -0.596 -0.545) 1.478 14.566 ( -1.809 1.162 1.510) 2.627 14.624 ( 1.774 1.788 -0.838) 2.654 14.645 ( -3.477 -0.751 2.537) 4.369 14.719 ( 1.718 0.501 -1.624) 2.417 14.905 ( -2.391 -2.768 8.201) 8.980 15.031 ( 0.753 -1.083 -1.104) 1.720 15.064 ( 2.464 0.122 -1.978) 3.162 15.092 ( -2.425 0.556 -1.466) 2.888 15.201 ( -7.190 -0.087 7.664) 10.509 15.287 ( 1.026 -3.282 4.062) 5.322 15.530 ( -0.227 -3.446 0.020) 3.453 15.718 ( 2.522 -7.451 -4.699) 9.163 16.294 ( -1.017 2.076 0.550) 2.376 16.314 ( 1.433 0.755 0.771) 1.793 16.324 ( 1.989 1.983 -0.884) 2.944 16.351 ( -2.013 2.024 -0.785) 2.961 17.549 ( -0.683 0.282 1.215) 1.422 17.595 ( 1.037 0.044 -0.901) 1.374 17.642 ( -0.634 -1.313 0.341) 1.497 17.674 ( 0.543 -1.277 -0.776) 1.590 20.730 ( -1.954 1.251 1.646) 2.845 20.786 ( 2.350 0.612 -0.226) 2.439 20.968 ( -0.683 -1.761 -0.672) 2.005 20.992 ( 1.625 -2.642 -0.782) 3.199 25.156 ( 1.791 -3.429 5.414) 6.654 25.220 ( -14.029 -8.614 14.051) 21.643 25.464 ( -6.840 -8.107 -5.645) 12.016 25.665 ( 14.785 -15.386 -4.140) 21.736 28.348 ( 0.032 -0.007 0.313) 0.315 28.360 ( 0.061 -0.746 -0.181) 0.770 28.377 ( -0.234 -0.315 0.277) 0.480 28.390 ( 0.105 -0.993 -0.327) 1.051 29.646 ( 0.684 0.060 0.416) 0.803 29.670 ( -0.877 -0.132 -0.740) 1.156 29.785 ( 0.614 -0.226 1.099) 1.279 29.825 ( -0.301 -0.044 -0.778) 0.835 31.977 ( -0.216 2.300 1.614) 2.818 32.037 ( 0.198 1.474 -0.484) 1.564 32.130 ( 1.029 5.734 0.920) 5.898 32.173 ( -0.438 5.409 -0.617) 5.461 32.391 ( 1.112 3.559 -0.945) 3.846 32.446 ( -2.311 3.722 -3.431) 5.565 32.577 ( 1.268 5.454 4.039) 6.904 32.639 ( 0.479 3.190 0.934) 3.359 32.831 ( -2.779 3.035 -1.098) 4.259 32.893 ( 0.076 4.679 -5.337) 7.098 33.119 ( -1.237 -0.377 4.786) 4.958 33.230 ( 1.243 -5.592 -1.542) 5.932 33.589 ( -6.294 5.164 5.405) 9.772 33.903 ( 4.696 6.772 -10.386) 13.258 34.246 ( -2.692 -7.229 5.307) 9.363 34.470 ( 8.575 -3.906 -6.549) 11.475 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -1.583 14.553 8.007) 16.685 1.192 ( 8.779 11.529 10.259) 17.755 1.242 ( -1.497 13.606 -4.608) 14.443 1.473 ( 2.528 0.354 -8.810) 9.173 1.611 ( -8.191 0.653 -2.898) 8.713 1.707 ( -2.428 3.964 2.773) 5.413 1.758 ( -5.542 -1.622 2.368) 6.241 1.931 ( 1.004 -2.223 -1.806) 3.035 2.030 ( 0.100 -4.084 7.179) 8.260 2.072 ( 3.115 3.122 1.110) 4.548 2.185 ( 1.231 3.117 1.070) 3.518 2.241 ( 2.583 14.374 2.159) 14.763 2.331 ( -1.792 -1.017 -1.002) 2.291 2.385 ( 1.539 2.967 -4.148) 5.327 2.501 ( 2.271 8.522 -3.859) 9.627 2.528 ( -1.995 1.462 6.035) 6.522 2.545 ( -1.569 -0.301 -0.899) 1.833 2.620 ( 1.152 3.339 -1.505) 3.840 2.692 ( -3.384 -0.941 3.653) 5.067 2.716 ( -1.488 -2.523 -2.744) 4.014 2.779 ( -1.920 -0.450 1.629) 2.558 2.815 ( 3.715 3.108 -0.754) 4.902 2.876 ( 2.732 2.525 2.680) 4.585 2.972 ( -1.336 -3.406 -3.256) 4.897 3.049 ( -1.633 3.682 -1.003) 4.150 3.125 ( -0.175 -2.506 -2.948) 3.873 3.151 ( -1.983 2.566 -4.104) 5.230 3.188 ( -2.558 0.133 -1.232) 2.843 3.237 ( -2.008 4.276 -0.540) 4.755 3.311 ( -0.249 1.774 2.122) 2.777 3.378 ( 2.039 1.815 1.682) 3.206 3.415 ( -1.074 1.816 3.581) 4.156 3.475 ( -0.112 4.154 -2.078) 4.646 3.538 ( 7.852 -4.696 1.893) 9.343 3.624 ( -0.648 3.733 2.393) 4.481 3.687 ( -1.174 3.279 0.132) 3.486 3.727 ( -0.659 3.191 1.475) 3.577 3.750 ( -1.507 0.687 -1.401) 2.169 3.811 ( 2.982 5.646 -2.647) 6.912 3.905 ( 0.316 4.414 0.873) 4.511 3.988 ( 1.619 1.402 1.997) 2.928 4.070 ( 2.668 1.434 0.301) 3.044 4.149 ( 5.450 -3.403 1.578) 6.616 4.238 ( -2.174 2.710 -3.779) 5.133 4.320 ( 1.378 0.984 0.291) 1.719 4.350 ( -0.224 3.342 -2.828) 4.384 4.430 ( 3.571 -2.897 -4.680) 6.561 4.460 ( 4.508 -0.290 -1.554) 4.777 4.614 ( -10.844 0.463 -3.046) 11.273 4.673 ( -4.621 -0.281 4.689) 6.589 4.756 ( 2.233 0.676 3.761) 4.426 4.826 ( -4.357 -0.636 -2.649) 5.139 4.881 ( 0.825 3.628 4.044) 5.495 4.962 ( -2.235 2.393 2.151) 3.918 4.979 ( -3.788 0.216 0.082) 3.795 5.145 ( -1.297 1.611 -0.765) 2.205 5.294 ( -7.319 1.114 1.926) 7.650 5.430 ( -1.321 5.407 1.444) 5.750 5.526 ( -4.819 -0.951 -2.140) 5.357 5.596 ( -7.869 0.931 -0.781) 7.962 5.666 ( -4.007 -0.354 0.860) 4.113 5.690 ( -4.485 2.318 -2.017) 5.436 5.785 ( -1.879 0.159 7.789) 8.014 5.920 ( 0.108 -2.114 6.195) 6.547 6.076 ( 1.504 1.740 -5.706) 6.152 6.107 ( 0.856 0.425 2.591) 2.762 6.220 ( 0.968 0.229 -3.234) 3.384 6.275 ( -0.754 -9.992 -4.351) 10.924 6.516 ( 5.647 -1.796 3.672) 6.972 6.541 ( 6.552 -1.388 -2.710) 7.225 6.806 ( 6.208 -9.259 -1.595) 11.261 7.094 ( 9.728 -10.300 -11.256) 18.095 9.013 ( 1.972 -1.439 2.195) 3.283 9.041 ( -0.571 -1.196 -1.718) 2.170 9.164 ( -0.277 -0.954 -0.186) 1.011 9.241 ( 2.835 -3.607 -0.190) 4.591 9.402 ( 2.430 0.130 0.593) 2.505 9.430 ( 0.276 -0.709 3.449) 3.532 9.462 ( 0.755 0.847 -3.266) 3.458 9.553 ( 0.626 0.728 -0.608) 1.136 10.166 ( 0.493 0.728 1.866) 2.062 10.251 ( -0.542 -0.946 -0.174) 1.104 10.337 ( -1.147 3.300 -0.111) 3.496 10.502 ( 0.285 2.017 -0.728) 2.164 11.772 ( -0.686 0.436 -1.263) 1.502 11.819 ( -4.176 -0.376 2.548) 4.907 11.907 ( 2.087 2.498 -1.808) 3.723 11.974 ( 0.208 1.687 -0.421) 1.751 13.288 ( -0.526 -0.548 -0.113) 0.768 13.325 ( -0.243 -0.756 0.555) 0.969 13.363 ( -0.606 -0.789 0.063) 0.997 13.433 ( 0.999 -0.794 -0.443) 1.351 14.549 ( -0.518 0.949 0.577) 1.226 14.618 ( -0.557 0.949 0.645) 1.276 14.656 ( 1.808 1.183 0.621) 2.249 14.745 ( 1.952 0.598 -0.754) 2.176 14.906 ( -2.516 -1.283 8.251) 8.721 15.033 ( 0.248 -0.043 -0.026) 0.253 15.049 ( -1.136 0.681 -1.266) 1.832 15.109 ( 0.336 1.436 0.454) 1.543 15.120 ( -0.889 0.677 0.018) 1.117 15.319 ( -0.393 -3.220 5.866) 6.703 15.476 ( -4.158 -1.874 -0.433) 4.582 15.769 ( 3.857 -9.265 -3.442) 10.610 16.230 ( -4.139 2.779 -0.197) 4.989 16.283 ( -2.238 1.146 0.509) 2.566 16.343 ( 0.339 2.293 -0.710) 2.424 16.374 ( 0.764 0.737 0.247) 1.090 17.534 ( -1.361 0.572 0.856) 1.706 17.605 ( 0.536 -0.296 -1.334) 1.468 17.628 ( -1.130 -1.125 0.825) 1.795 17.678 ( 0.109 -1.618 -0.576) 1.721 20.709 ( 0.002 0.246 0.812) 0.849 20.849 ( 3.042 -0.413 -0.070) 3.070 20.943 ( -1.106 -2.304 -0.111) 2.558 21.027 ( 2.002 -1.905 -1.065) 2.962 25.080 ( -5.310 -1.998 5.398) 7.831 25.245 ( 2.396 -5.008 10.111) 11.535 25.286 ( -6.880 -3.898 -4.694) 9.196 25.968 ( 15.829 -24.649 -2.389) 29.391 28.339 ( -1.039 0.388 0.208) 1.128 28.348 ( -0.987 -0.696 -0.189) 1.223 28.378 ( 0.081 -0.344 0.305) 0.466 28.396 ( 0.574 -1.808 -0.208) 1.909 29.648 ( -0.380 0.364 -0.535) 0.750 29.672 ( 0.962 -0.006 0.485) 1.078 29.804 ( 0.994 -0.239 0.349) 1.080 29.838 ( 1.768 -0.592 -0.409) 1.908 31.949 ( -2.732 2.634 1.879) 4.234 31.999 ( -3.219 2.160 -1.527) 4.166 32.186 ( 2.613 5.050 -0.168) 5.688 32.194 ( 3.414 5.136 0.332) 6.176 32.401 ( -0.346 3.214 -2.214) 3.918 32.425 ( 2.434 3.158 0.710) 4.050 32.586 ( -1.189 4.860 -0.042) 5.004 32.697 ( 4.204 5.573 2.804) 7.523 32.794 ( -0.223 3.789 1.331) 4.022 32.873 ( 0.199 4.741 -2.938) 5.581 33.087 ( -5.088 -1.228 2.567) 5.830 33.181 ( -5.003 -4.056 -1.796) 6.687 33.374 ( -16.165 11.243 3.879) 20.069 33.946 ( 5.564 4.196 -9.538) 11.812 34.291 ( 4.633 -8.969 1.570) 10.216 34.602 ( 5.562 -7.288 -3.118) 9.683 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -0.716 13.859 12.893) 18.942 1.239 ( -0.127 4.982 2.394) 5.529 1.405 ( 1.291 6.601 4.348) 8.009 1.411 ( -2.605 -2.593 -5.704) 6.786 1.542 ( 6.088 -0.636 1.989) 6.436 1.661 ( -2.809 5.098 -3.071) 6.582 1.735 ( 2.171 5.129 5.400) 7.757 1.905 ( -1.513 -6.716 -2.808) 7.435 2.050 ( -2.367 1.207 3.302) 4.238 2.107 ( 1.148 2.042 -4.066) 4.692 2.170 ( -0.846 5.656 5.739) 8.102 2.225 ( -0.958 5.829 -5.326) 7.953 2.268 ( -4.530 1.592 2.289) 5.319 2.384 ( -4.217 2.577 -6.498) 8.164 2.466 ( 1.626 2.206 -0.274) 2.754 2.491 ( -3.858 -3.207 0.760) 5.074 2.584 ( 3.783 -4.583 0.630) 5.976 2.616 ( -0.216 2.998 -1.927) 3.571 2.620 ( -0.956 1.721 -2.306) 3.032 2.733 ( 4.147 -1.094 1.165) 4.445 2.824 ( 1.329 -1.295 -6.065) 6.343 2.894 ( -2.194 1.409 2.854) 3.866 2.962 ( 2.202 0.433 -0.520) 2.303 2.996 ( 7.277 3.281 8.648) 11.769 3.067 ( -2.229 -0.719 -0.561) 2.408 3.121 ( -0.974 3.888 -2.374) 4.658 3.139 ( 6.920 5.919 5.220) 10.496 3.155 ( 2.957 5.897 -0.200) 6.600 3.241 ( 2.842 5.879 -8.964) 11.090 3.315 ( -1.403 -2.486 1.113) 3.064 3.368 ( 1.171 2.522 2.518) 3.752 3.382 ( -3.396 0.153 0.293) 3.412 3.479 ( 0.964 4.031 0.600) 4.188 3.583 ( -1.752 0.720 2.962) 3.516 3.626 ( -0.921 -0.563 -0.422) 1.159 3.654 ( -1.111 5.543 -0.192) 5.656 3.738 ( 3.678 3.445 0.935) 5.125 3.758 ( 0.645 2.422 1.112) 2.742 3.844 ( -4.727 5.358 -1.879) 7.388 3.901 ( -1.097 3.708 -1.107) 4.022 4.018 ( -2.151 -1.568 -2.388) 3.576 4.049 ( -4.854 4.346 -1.844) 6.771 4.161 ( 0.212 6.545 -0.851) 6.603 4.209 ( -5.637 5.032 0.426) 7.568 4.299 ( 3.833 -2.316 3.683) 5.798 4.349 ( -1.855 4.687 -3.867) 6.353 4.401 ( -0.584 -1.005 3.937) 4.105 4.501 ( 2.194 -1.361 -6.922) 7.387 4.585 ( 5.276 -4.341 0.576) 6.857 4.654 ( 0.380 -1.660 1.601) 2.337 4.735 ( -2.026 -1.881 -2.104) 3.474 4.796 ( -0.566 2.903 1.275) 3.221 4.875 ( -2.258 2.221 4.471) 5.479 4.949 ( -1.451 -0.162 6.959) 7.110 4.995 ( 4.228 -1.108 -1.979) 4.798 5.098 ( -2.077 1.018 -2.331) 3.284 5.163 ( -6.095 0.023 0.758) 6.142 5.364 ( -5.857 -2.235 1.709) 6.498 5.432 ( -3.365 0.905 -4.518) 5.706 5.500 ( -2.211 3.677 1.284) 4.479 5.565 ( -5.870 1.001 2.082) 6.308 5.681 ( 3.771 -0.945 -1.968) 4.357 5.789 ( -1.074 -1.282 3.352) 3.746 5.928 ( -2.820 0.618 0.006) 2.887 6.027 ( -3.099 -2.053 -1.799) 4.130 6.131 ( 0.603 3.570 1.360) 3.868 6.227 ( 1.682 0.952 -2.903) 3.488 6.241 ( -1.128 -7.476 -0.885) 7.612 6.671 ( 8.243 -2.389 -2.498) 8.939 6.688 ( 9.990 -1.038 2.635) 10.384 6.880 ( 1.572 -7.999 -1.035) 8.218 7.100 ( -3.794 -8.460 -6.147) 11.125 9.031 ( 0.192 -0.455 -0.175) 0.524 9.062 ( 1.436 -2.111 1.851) 3.153 9.160 ( -0.311 -1.150 0.929) 1.511 9.264 ( 0.142 -2.666 -0.438) 2.705 9.446 ( 1.530 -0.271 -2.648) 3.070 9.459 ( 2.347 -0.035 2.076) 3.134 9.500 ( 3.166 -1.176 0.035) 3.378 9.553 ( -0.202 1.140 -0.113) 1.164 10.195 ( 1.710 0.694 0.975) 2.087 10.238 ( -0.828 -1.048 0.311) 1.372 10.333 ( 1.003 3.717 -0.882) 3.950 10.487 ( -1.332 2.658 -1.015) 3.142 11.755 ( -2.512 -0.148 1.291) 2.828 11.768 ( -0.158 -0.516 -0.893) 1.044 11.931 ( 1.335 2.493 -0.783) 2.934 11.965 ( -1.150 2.312 0.328) 2.602 13.283 ( 0.333 -0.801 -0.651) 1.085 13.312 ( -1.150 -1.727 0.034) 2.075 13.360 ( -0.384 -0.600 1.438) 1.605 13.438 ( 0.015 -0.954 -0.732) 1.203 14.558 ( 1.460 1.194 -0.443) 1.938 14.609 ( -0.627 2.055 -0.379) 2.182 14.694 ( 1.380 0.617 1.515) 2.140 14.777 ( 1.248 1.456 -1.109) 2.215 14.899 ( -0.868 1.894 5.146) 5.552 15.026 ( -1.132 1.363 0.214) 1.784 15.056 ( 0.897 -1.460 -0.505) 1.786 15.083 ( -0.051 0.496 2.622) 2.669 15.170 ( 4.174 -0.621 -4.032) 5.836 15.329 ( -1.807 -3.203 5.060) 6.255 15.403 ( -4.204 -1.335 3.164) 5.429 15.797 ( 1.318 -8.561 -4.488) 9.755 16.179 ( -1.138 1.821 0.029) 2.148 16.244 ( -2.211 0.635 0.257) 2.314 16.343 ( -0.082 1.981 -0.299) 2.005 16.363 ( -1.438 1.154 0.105) 1.847 17.515 ( -0.910 0.858 0.741) 1.454 17.594 ( -0.715 -0.731 -1.842) 2.107 17.621 ( -0.134 -0.577 1.154) 1.297 17.670 ( -0.506 -1.783 -0.526) 1.927 20.739 ( 2.642 -1.539 0.302) 3.073 20.858 ( -1.859 -2.898 -0.498) 3.479 20.953 ( 1.920 0.066 0.555) 2.000 21.044 ( 0.364 -1.191 -1.163) 1.704 25.053 ( 0.093 -0.857 -0.141) 0.874 25.171 ( -3.237 -1.724 -2.990) 4.732 25.354 ( 2.084 -7.276 14.907) 16.719 26.148 ( 5.762 -27.974 -6.311) 29.250 28.320 ( -0.887 0.547 0.118) 1.049 28.329 ( -0.784 -0.474 -0.205) 0.938 28.380 ( -0.096 -0.340 0.390) 0.526 28.404 ( 0.273 -2.737 -0.239) 2.761 29.647 ( 0.368 0.844 -0.198) 0.942 29.684 ( 0.126 0.287 0.084) 0.324 29.831 ( 1.759 -0.449 0.074) 1.817 29.864 ( 0.879 -1.080 -0.201) 1.407 31.914 ( -1.979 2.420 1.640) 3.531 31.938 ( -2.030 2.793 -1.326) 3.699 32.224 ( 1.841 5.119 -0.368) 5.452 32.248 ( 1.750 3.951 -0.196) 4.326 32.405 ( 1.538 3.044 -1.157) 3.601 32.485 ( 2.825 4.862 0.907) 5.696 32.570 ( 0.277 5.644 -1.140) 5.764 32.753 ( 0.397 0.637 -1.654) 1.817 32.833 ( 2.055 2.327 1.865) 3.622 32.849 ( -4.167 0.254 -3.605) 5.516 32.958 ( -4.169 8.089 4.301) 10.065 33.068 ( -7.009 -3.292 -1.168) 7.832 33.209 ( -4.005 12.304 11.102) 17.050 34.006 ( 6.849 4.750 -13.224) 15.631 34.384 ( 3.918 -9.923 1.523) 10.777 34.615 ( -2.234 -6.374 -1.180) 6.856 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -2.364 7.985 12.876) 15.334 1.225 ( -0.140 1.143 3.027) 3.239 1.346 ( -1.532 -2.244 -1.758) 3.237 1.391 ( -0.720 6.417 -3.835) 7.511 1.589 ( -5.816 4.142 -2.194) 7.469 1.687 ( 3.125 1.209 6.692) 7.484 1.845 ( 5.369 -0.891 6.014) 8.111 1.886 ( 1.534 -3.579 -3.389) 5.163 1.958 ( -3.819 9.745 -1.078) 10.522 2.114 ( 0.260 1.102 -0.672) 1.317 2.173 ( -2.603 -0.723 -1.273) 2.987 2.234 ( 1.769 7.149 4.555) 8.660 2.292 ( 5.420 0.434 -3.649) 6.548 2.315 ( 0.491 4.753 2.191) 5.257 2.451 ( -2.036 -3.851 7.093) 8.324 2.499 ( 0.420 3.113 -0.774) 3.235 2.555 ( 0.082 -2.132 -9.119) 9.365 2.630 ( 2.141 4.893 0.700) 5.387 2.657 ( 1.575 -2.530 0.562) 3.033 2.784 ( 0.756 -2.583 -2.797) 3.881 2.817 ( 0.720 -2.965 -3.244) 4.453 2.871 ( -4.646 4.383 -3.442) 7.256 2.922 ( -0.632 -0.710 3.416) 3.546 3.030 ( -0.367 3.012 -0.363) 3.056 3.050 ( -3.113 2.752 -1.107) 4.300 3.108 ( -0.965 4.275 0.684) 4.436 3.155 ( 0.446 4.670 -2.704) 5.414 3.263 ( 3.394 0.440 -2.048) 3.989 3.274 ( 1.496 3.252 -3.826) 5.239 3.301 ( -0.469 -1.599 -1.839) 2.481 3.346 ( -3.921 8.527 0.110) 9.386 3.408 ( -0.015 0.325 2.246) 2.269 3.483 ( -4.304 1.434 2.929) 5.399 3.566 ( -4.313 0.653 0.280) 4.371 3.633 ( 3.235 1.089 0.646) 3.474 3.656 ( 0.481 5.515 -1.906) 5.855 3.689 ( 0.141 5.779 4.352) 7.235 3.759 ( 1.889 2.668 2.065) 3.866 3.847 ( 5.568 6.854 1.093) 8.898 3.873 ( -7.472 -1.699 -1.590) 7.825 3.942 ( 1.337 0.262 3.781) 4.019 4.004 ( 8.973 6.644 1.246) 11.235 4.157 ( -2.272 5.755 -1.504) 6.367 4.219 ( -5.985 5.686 -1.163) 8.336 4.308 ( -2.591 -6.307 -3.785) 7.799 4.346 ( 9.438 5.601 5.094) 12.099 4.420 ( -3.339 1.795 -5.905) 7.017 4.465 ( 1.658 -1.169 -3.684) 4.206 4.661 ( 2.112 -1.635 3.548) 4.441 4.686 ( 0.395 -1.168 1.436) 1.893 4.742 ( 1.932 -0.181 -0.115) 1.944 4.772 ( -1.872 -1.042 -1.518) 2.626 4.856 ( -3.471 1.276 4.588) 5.893 4.919 ( -2.839 2.295 6.038) 7.056 5.053 ( 1.939 -0.449 -4.049) 4.511 5.078 ( -0.084 1.392 -2.597) 2.948 5.125 ( 0.795 -2.877 2.153) 3.681 5.311 ( 0.468 -1.616 -1.735) 2.417 5.381 ( 0.189 -3.490 3.839) 5.192 5.490 ( -1.473 3.655 1.848) 4.352 5.508 ( 0.315 3.595 0.470) 3.639 5.716 ( -2.695 -3.779 -6.494) 7.982 5.783 ( 0.635 -1.950 0.274) 2.069 5.879 ( 3.975 -3.382 -2.977) 6.009 6.000 ( -1.488 0.438 4.016) 4.305 6.140 ( -0.382 3.575 2.362) 4.302 6.213 ( -0.860 -2.872 -2.314) 3.787 6.255 ( 2.059 -0.148 -1.519) 2.563 6.779 ( 2.908 -5.735 -0.290) 6.437 6.806 ( -6.199 -2.989 -2.429) 7.298 6.879 ( 5.142 -5.410 1.136) 7.550 6.984 ( -2.081 -2.891 -3.692) 5.130 9.037 ( -0.002 -0.347 1.010) 1.068 9.070 ( -0.890 -1.563 0.397) 1.842 9.171 ( 0.481 -2.058 2.483) 3.261 9.258 ( -0.307 -2.283 -0.790) 2.435 9.453 ( -0.200 -0.350 -0.857) 0.947 9.479 ( -1.335 -1.294 -1.946) 2.691 9.525 ( 0.878 0.656 1.339) 1.731 9.573 ( 1.276 -0.097 0.345) 1.325 10.209 ( -0.933 -0.372 0.140) 1.014 10.248 ( 2.039 0.185 0.264) 2.064 10.358 ( 1.470 3.398 0.868) 3.803 10.450 ( -1.517 3.131 -2.381) 4.216 11.720 ( -1.462 -0.507 1.387) 2.078 11.784 ( 2.015 -0.912 -1.515) 2.681 11.939 ( -1.274 2.930 0.252) 3.205 11.949 ( 0.432 2.504 0.082) 2.543 13.290 ( -0.926 -1.606 -0.548) 1.933 13.295 ( 1.330 -1.064 -0.694) 1.839 13.359 ( -0.846 -0.790 2.503) 2.758 13.431 ( -0.264 -0.957 -1.056) 1.449 14.585 ( 0.695 1.784 -0.586) 2.003 14.601 ( 1.252 1.763 -1.336) 2.542 14.706 ( -1.678 0.762 3.098) 3.605 14.770 ( -0.898 3.069 -0.080) 3.198 14.937 ( 2.492 0.916 0.547) 2.711 15.005 ( -1.251 0.914 0.293) 1.577 15.045 ( -0.429 -0.547 -1.793) 1.923 15.131 ( 1.874 -1.940 4.386) 5.149 15.227 ( 4.075 -0.678 -3.074) 5.150 15.291 ( -3.089 -2.451 -1.529) 4.229 15.373 ( -3.096 -2.595 11.361) 12.058 15.782 ( 0.377 -6.437 -6.315) 9.025 16.184 ( 0.772 0.287 0.775) 1.131 16.210 ( -1.102 0.388 -0.244) 1.194 16.336 ( -0.564 1.664 0.280) 1.779 16.352 ( 0.714 1.785 -0.522) 1.992 17.512 ( 0.107 0.973 1.063) 1.445 17.572 ( -0.465 -0.443 -1.744) 1.858 17.629 ( 0.438 -0.567 0.601) 0.935 17.661 ( -0.128 -1.829 -0.505) 1.901 20.795 ( 3.100 -2.550 -0.103) 4.015 20.805 ( -3.357 -2.893 -0.118) 4.433 20.982 ( 0.156 0.456 0.787) 0.923 21.033 ( -0.472 -0.571 -1.499) 1.672 25.062 ( 1.072 -1.033 -1.551) 2.150 25.136 ( 0.952 -1.083 -2.621) 2.992 25.458 ( -0.701 -10.908 19.964) 22.760 26.125 ( -2.503 -24.776 -12.008) 27.646 28.312 ( -0.035 0.580 0.135) 0.596 28.321 ( 0.012 -0.419 -0.258) 0.492 28.381 ( -0.004 -0.477 0.535) 0.717 28.403 ( -0.065 -2.565 -0.457) 2.606 29.656 ( 0.483 0.980 0.392) 1.161 29.679 ( -0.492 0.546 -0.598) 0.948 29.852 ( -0.332 -0.526 0.348) 0.713 29.869 ( 0.364 -1.293 -0.413) 1.405 31.893 ( -0.969 2.191 0.938) 2.572 31.925 ( 1.084 2.765 -0.389) 2.995 32.245 ( 0.411 5.134 -0.099) 5.151 32.257 ( -0.468 4.049 -0.462) 4.102 32.428 ( 0.435 3.077 0.423) 3.136 32.501 ( -0.322 5.589 -3.426) 6.563 32.586 ( 1.189 5.663 0.424) 5.802 32.646 ( -5.382 6.489 -4.228) 9.432 32.830 ( 4.220 0.559 1.382) 4.476 32.875 ( -2.812 0.686 -0.298) 2.910 32.948 ( -0.060 -0.684 1.901) 2.021 32.982 ( 1.054 -2.215 -0.870) 2.602 33.282 ( 1.926 12.095 18.067) 21.827 34.041 ( 5.064 5.836 -18.448) 20.001 34.424 ( -1.827 -8.981 4.616) 10.261 34.553 ( -2.380 -5.884 -1.717) 6.575 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -5.228 7.879 6.589) 11.525 1.268 ( 1.582 5.382 3.430) 6.576 1.374 ( 1.059 4.703 3.914) 6.210 1.417 ( 6.194 1.953 1.092) 6.585 1.445 ( -2.412 3.454 1.477) 4.464 1.730 ( -1.908 -0.496 5.769) 6.096 1.874 ( -0.572 3.106 -1.170) 3.368 1.934 ( 5.247 1.753 -3.211) 6.397 1.977 ( 0.600 -1.311 1.306) 1.945 2.050 ( -9.948 4.447 -6.440) 12.657 2.141 ( 3.416 0.266 0.534) 3.468 2.229 ( -5.417 2.308 -1.516) 6.080 2.277 ( -0.912 11.127 3.686) 11.757 2.397 ( 3.364 -0.638 -2.966) 4.530 2.482 ( -0.898 -0.213 6.430) 6.496 2.512 ( 3.762 -2.020 -5.221) 6.744 2.525 ( 0.437 -0.744 -8.714) 8.757 2.616 ( -2.839 3.023 -2.151) 4.672 2.707 ( -3.057 4.983 3.562) 6.846 2.770 ( 3.369 3.513 6.079) 7.787 2.771 ( -2.615 -2.139 -1.733) 3.797 2.838 ( 4.760 -2.820 -1.934) 5.861 2.883 ( -5.926 6.371 1.996) 8.927 2.971 ( 2.095 -1.390 -1.051) 2.726 3.060 ( 0.987 -0.128 -1.025) 1.428 3.112 ( 2.666 4.799 1.020) 5.584 3.139 ( -0.750 2.091 -1.808) 2.864 3.238 ( -1.543 -0.543 1.006) 1.921 3.289 ( -0.173 5.607 1.479) 5.801 3.311 ( 0.320 0.617 -2.294) 2.397 3.373 ( 3.545 1.246 3.131) 4.892 3.407 ( 0.533 2.169 2.158) 3.105 3.461 ( -1.762 2.924 2.297) 4.115 3.534 ( 2.338 -1.249 -1.711) 3.155 3.568 ( -4.356 3.313 -2.509) 6.021 3.650 ( -6.767 0.797 -0.852) 6.867 3.748 ( 0.419 3.958 3.698) 5.433 3.774 ( 1.786 1.522 -0.238) 2.359 3.822 ( 0.820 6.690 -2.410) 7.158 3.928 ( 2.433 4.634 0.781) 5.292 4.004 ( 1.924 -3.168 2.161) 4.290 4.047 ( -2.374 5.367 -4.522) 7.408 4.140 ( 3.135 1.735 0.749) 3.660 4.212 ( -3.956 -2.988 -1.261) 5.115 4.277 ( 3.182 2.107 0.290) 3.828 4.374 ( -5.673 1.915 -4.885) 7.728 4.424 ( 6.225 1.706 0.641) 6.487 4.563 ( 10.524 2.845 1.455) 10.998 4.651 ( -5.945 -1.254 -2.704) 6.650 4.669 ( -2.070 -0.307 0.495) 2.150 4.721 ( 2.013 -1.926 1.157) 3.017 4.797 ( 2.661 1.656 -0.605) 3.192 4.840 ( -1.288 1.954 5.269) 5.765 4.899 ( -2.314 4.330 3.541) 6.053 5.031 ( -1.835 -1.644 1.205) 2.743 5.069 ( 0.840 4.416 -3.460) 5.672 5.201 ( 6.023 -2.060 1.955) 6.659 5.336 ( 5.444 0.223 -5.245) 7.563 5.473 ( 2.015 -1.707 7.947) 8.374 5.501 ( 2.385 4.458 2.841) 5.799 5.557 ( 4.478 -1.226 0.468) 4.666 5.610 ( -2.062 -1.615 -5.964) 6.514 5.783 ( -0.194 -3.011 -0.289) 3.031 5.990 ( -2.271 0.918 6.121) 6.593 6.001 ( 6.762 -6.206 -3.378) 9.780 6.155 ( 1.874 -1.069 -0.042) 2.157 6.191 ( 0.443 1.305 -3.810) 4.052 6.280 ( 1.349 0.094 -1.331) 1.898 6.612 ( -11.050 0.015 0.004) 11.050 6.728 ( -7.212 -4.433 0.296) 8.471 6.923 ( -0.928 -10.014 1.649) 10.191 7.019 ( 4.288 -2.158 -8.774) 10.001 9.021 ( -2.090 -1.058 0.342) 2.368 9.068 ( 0.518 -0.827 1.029) 1.418 9.191 ( 0.098 -2.380 2.575) 3.507 9.240 ( -1.360 -2.601 -1.690) 3.387 9.395 ( -3.911 -0.509 -0.955) 4.058 9.463 ( -0.655 -0.785 0.530) 1.152 9.536 ( -0.549 0.627 0.385) 0.918 9.576 ( -0.680 0.101 -0.766) 1.030 10.187 ( -1.516 -0.219 0.868) 1.761 10.281 ( 1.117 0.388 -0.607) 1.329 10.384 ( 0.280 2.888 2.601) 3.897 10.425 ( 0.810 2.678 -3.553) 4.522 11.721 ( 1.164 -0.008 0.325) 1.209 11.815 ( 1.380 -1.132 0.214) 1.798 11.921 ( -0.079 3.365 -1.215) 3.579 11.953 ( -0.355 2.109 0.648) 2.235 13.275 ( -0.330 -0.843 -0.468) 1.019 13.323 ( 1.939 -1.159 -0.654) 2.352 13.353 ( -1.157 -0.745 2.133) 2.539 13.420 ( -0.331 -0.823 -0.768) 1.174 14.582 ( 0.243 1.926 -1.011) 2.189 14.635 ( 1.876 1.634 -0.685) 2.580 14.670 ( -2.952 1.060 2.223) 3.844 14.755 ( -1.122 2.081 0.102) 2.366 14.954 ( -2.053 -1.285 1.839) 3.040 14.996 ( 1.078 1.044 -0.908) 1.753 15.036 ( 0.088 -1.303 -0.272) 1.334 15.182 ( 1.718 -2.312 2.911) 4.096 15.220 ( -3.280 -1.572 -2.040) 4.170 15.281 ( 1.012 -1.462 3.725) 4.127 15.396 ( 0.703 -3.196 7.316) 8.014 15.759 ( 0.716 -5.928 -6.530) 8.848 16.185 ( 0.338 1.262 0.108) 1.311 16.230 ( 2.244 0.641 0.227) 2.344 16.334 ( 0.244 2.145 -0.171) 2.166 16.374 ( 1.549 0.762 -0.026) 1.726 17.527 ( 0.642 0.719 1.515) 1.795 17.565 ( 0.649 0.018 -1.700) 1.820 17.641 ( 0.506 -0.759 0.417) 1.003 17.662 ( 0.470 -1.798 -0.703) 1.987 20.745 ( -2.839 -1.292 0.361) 3.140 20.839 ( 1.351 -2.049 -0.487) 2.502 20.959 ( -2.170 -0.174 0.749) 2.302 21.022 ( -0.191 -0.662 -1.385) 1.547 25.076 ( 1.166 -1.546 -0.588) 2.023 25.184 ( 6.059 -2.046 -2.927) 7.033 25.505 ( -6.817 -15.757 23.117) 28.795 25.967 ( -6.920 -19.578 -14.033) 25.062 28.320 ( 0.740 0.425 0.121) 0.861 28.328 ( 0.897 -0.482 -0.204) 1.039 28.384 ( -0.044 -0.806 0.596) 1.003 28.399 ( -0.101 -1.692 -0.452) 1.755 29.657 ( -0.720 0.509 -0.387) 0.963 29.672 ( 0.322 0.847 0.270) 0.946 29.826 ( -2.109 -0.717 0.044) 2.228 29.869 ( -0.606 -0.962 -0.169) 1.149 31.895 ( 0.880 2.624 0.671) 2.847 31.963 ( 2.861 2.435 -0.347) 3.773 32.225 ( -2.823 5.239 -0.733) 5.996 32.235 ( -1.393 5.015 0.098) 5.206 32.403 ( -1.722 3.163 -0.846) 3.699 32.496 ( 0.759 4.151 0.008) 4.220 32.560 ( -1.896 7.000 -1.324) 7.372 32.638 ( 2.133 4.161 1.694) 4.973 32.784 ( -2.662 2.227 -0.919) 3.590 32.925 ( 1.034 2.821 -1.298) 3.273 32.986 ( 5.718 -2.416 2.569) 6.718 33.060 ( 6.096 -4.109 -1.427) 7.489 33.417 ( 2.860 9.534 17.019) 19.716 33.993 ( 1.131 8.417 -22.255) 23.820 34.373 ( -5.224 -6.104 4.375) 9.148 34.516 ( -1.968 -7.718 -1.056) 8.035 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( -6.744 15.527 5.530) 17.808 1.213 ( -6.800 18.858 -0.256) 20.048 1.403 ( -0.570 2.249 2.100) 3.129 1.491 ( 6.139 0.460 -1.934) 6.453 1.634 ( 1.883 4.172 4.451) 6.385 1.726 ( 4.923 0.560 2.565) 5.579 1.803 ( -4.527 4.873 -0.258) 6.657 1.905 ( -1.380 1.705 2.457) 3.294 1.930 ( -0.424 2.955 -4.672) 5.544 2.057 ( 6.975 0.070 -0.438) 6.990 2.134 ( -1.947 1.878 -0.017) 2.705 2.234 ( 3.592 1.247 3.106) 4.910 2.272 ( -4.338 9.476 6.130) 12.091 2.398 ( -2.268 0.283 -3.514) 4.192 2.450 ( 1.604 0.450 -6.080) 6.304 2.480 ( -1.036 1.700 0.184) 2.000 2.511 ( -3.108 -1.038 -0.442) 3.306 2.575 ( -2.473 3.760 2.289) 5.049 2.681 ( 0.844 0.495 -4.688) 4.789 2.738 ( 3.057 -2.670 0.604) 4.104 2.819 ( -2.273 1.630 0.707) 2.885 2.903 ( 5.124 -0.404 1.557) 5.370 2.991 ( 3.109 0.395 3.288) 4.542 3.038 ( 4.813 0.528 -5.158) 7.075 3.075 ( 4.105 3.420 2.348) 5.836 3.117 ( -0.322 -2.260 2.436) 3.339 3.167 ( 2.313 0.661 -1.122) 2.655 3.202 ( -5.001 2.496 -6.189) 8.339 3.234 ( -5.484 1.331 1.477) 5.834 3.303 ( 1.360 2.941 0.471) 3.274 3.373 ( -4.265 3.231 -3.657) 6.481 3.402 ( -2.851 2.923 5.051) 6.495 3.459 ( 1.072 3.850 2.257) 4.590 3.512 ( -0.463 -1.051 1.544) 1.925 3.560 ( 3.731 -1.127 -1.397) 4.141 3.642 ( 6.921 3.848 1.381) 8.038 3.676 ( -7.355 -1.507 -1.220) 7.606 3.811 ( 0.408 8.863 -2.475) 9.211 3.889 ( 5.329 1.757 2.471) 6.132 3.944 ( -2.570 1.536 -0.652) 3.064 3.977 ( -0.705 1.958 -1.265) 2.435 4.043 ( -0.804 2.167 2.162) 3.165 4.109 ( -8.198 -0.143 2.693) 8.630 4.213 ( -2.083 -0.368 -6.529) 6.864 4.262 ( 3.162 -1.497 1.792) 3.930 4.279 ( 0.466 0.892 -0.262) 1.040 4.489 ( -5.140 -1.744 -6.297) 8.314 4.529 ( 1.361 1.115 0.301) 1.785 4.637 ( -0.361 3.056 -2.677) 4.079 4.707 ( 2.490 1.980 3.466) 4.705 4.803 ( -1.009 1.837 -0.624) 2.187 4.848 ( 6.216 -3.098 4.078) 8.055 4.852 ( 1.032 1.671 -0.239) 1.978 4.910 ( 2.486 3.548 1.157) 4.484 5.028 ( 0.819 0.876 2.816) 3.061 5.094 ( 2.612 5.696 -0.281) 6.273 5.316 ( 5.001 1.310 1.967) 5.531 5.470 ( 7.216 -1.755 -4.642) 8.758 5.520 ( 1.785 -0.128 -0.992) 2.047 5.531 ( 2.646 3.371 4.071) 5.911 5.619 ( 6.912 3.338 2.174) 7.977 5.683 ( 5.293 -0.006 -0.059) 5.293 5.799 ( 0.620 -0.112 3.317) 3.376 5.957 ( -4.169 -2.082 6.576) 8.060 6.045 ( -1.430 -5.574 2.717) 6.364 6.147 ( -0.729 -1.944 -6.533) 6.855 6.227 ( 1.700 -3.815 0.045) 4.177 6.295 ( 2.679 -0.483 -7.171) 7.670 6.462 ( -4.789 2.131 2.355) 5.746 6.584 ( -7.092 -4.109 -0.678) 8.224 6.848 ( -7.799 -11.531 1.348) 13.986 6.983 ( -0.960 -1.977 -14.432) 14.598 8.987 ( -1.611 -0.940 0.827) 2.040 9.087 ( 0.962 -2.461 -0.334) 2.663 9.186 ( -2.422 -1.789 -1.473) 3.351 9.196 ( -1.041 -1.909 1.292) 2.530 9.346 ( -1.127 0.109 0.647) 1.304 9.453 ( -1.028 -1.463 2.049) 2.720 9.510 ( -1.351 1.139 -2.366) 2.953 9.554 ( -1.115 0.418 -0.456) 1.276 10.166 ( -1.411 0.251 1.739) 2.253 10.280 ( -0.216 0.495 -1.856) 1.933 10.391 ( -1.502 1.786 3.789) 4.450 10.444 ( 2.888 2.088 -3.022) 4.672 11.765 ( 3.307 0.523 -0.421) 3.374 11.826 ( -0.300 0.157 1.037) 1.091 11.924 ( 0.057 2.184 -0.854) 2.346 11.946 ( 0.218 1.762 -0.647) 1.890 13.277 ( 0.655 0.328 0.141) 0.746 13.336 ( -0.961 -0.937 0.257) 1.367 13.358 ( 1.641 -0.665 0.319) 1.799 13.410 ( -0.490 -0.710 -0.300) 0.913 14.587 ( 0.091 1.334 0.039) 1.337 14.615 ( -1.970 2.456 1.302) 3.407 14.676 ( 1.180 -0.456 -0.542) 1.377 14.720 ( -2.231 0.731 -0.460) 2.392 14.919 ( -2.964 -2.233 5.347) 6.509 15.015 ( 1.222 0.433 -0.577) 1.419 15.043 ( 0.811 -1.370 -0.502) 1.669 15.150 ( -2.861 -0.826 -2.335) 3.784 15.231 ( 1.477 -2.261 3.103) 4.113 15.283 ( -4.313 -3.465 9.374) 10.885 15.472 ( 4.756 -2.986 0.866) 5.682 15.735 ( -0.255 -6.859 -5.375) 8.718 16.226 ( 4.308 2.806 -0.236) 5.147 16.273 ( 2.033 1.273 0.487) 2.448 16.335 ( -0.202 2.102 -0.416) 2.152 16.389 ( -0.544 0.101 0.008) 0.553 17.545 ( 0.330 0.290 1.432) 1.497 17.578 ( 1.348 0.299 -1.107) 1.769 17.647 ( -0.066 -1.207 0.300) 1.245 17.668 ( 0.592 -1.399 -0.840) 1.736 20.720 ( 0.031 0.564 1.071) 1.211 20.818 ( -3.131 0.662 -0.297) 3.214 20.950 ( 1.070 -2.052 0.125) 2.317 21.004 ( -1.001 -1.484 -1.176) 2.142 25.104 ( 1.650 -2.330 1.858) 3.407 25.336 ( 12.213 -5.811 -2.774) 13.807 25.418 ( -14.533 -16.543 19.921) 29.694 25.753 ( -9.506 -15.134 -10.366) 20.661 28.337 ( 0.903 0.098 0.175) 0.925 28.347 ( 1.128 -0.558 -0.156) 1.269 28.382 ( -0.410 -0.767 0.447) 0.978 28.395 ( -0.230 -1.072 -0.348) 1.150 29.643 ( -0.351 0.374 -0.378) 0.637 29.680 ( 0.116 0.200 0.334) 0.406 29.789 ( -1.561 -0.405 0.198) 1.625 29.847 ( -1.438 -0.480 -0.264) 1.539 31.935 ( 2.774 2.801 1.201) 4.121 32.012 ( 2.502 2.034 -0.755) 3.311 32.159 ( -3.537 5.791 -0.015) 6.785 32.202 ( -2.068 4.683 0.034) 5.119 32.386 ( 0.202 3.478 -1.466) 3.780 32.495 ( -1.144 4.943 -1.030) 5.177 32.544 ( 0.232 6.074 1.347) 6.225 32.645 ( -1.545 0.055 1.699) 2.297 32.822 ( 3.892 2.411 2.399) 5.169 32.915 ( 0.272 3.368 -4.361) 5.517 33.090 ( 2.368 -0.375 3.880) 4.560 33.163 ( 5.913 -4.904 -1.844) 7.900 33.551 ( 3.517 5.841 10.901) 12.857 33.903 ( 2.341 11.608 -19.661) 22.952 34.300 ( -4.777 -5.099 4.076) 8.089 34.455 ( -2.925 -6.274 -2.897) 7.504 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( -1.978 9.324 7.157) 11.920 1.426 ( -1.992 8.176 -2.651) 8.823 1.461 ( 2.309 11.879 -0.357) 12.107 1.649 ( -4.031 9.162 -2.319) 10.275 1.742 ( -0.190 3.650 3.771) 5.252 1.775 ( -4.515 2.354 -3.273) 6.053 1.816 ( -0.347 1.599 -1.984) 2.572 1.907 ( 2.749 -0.590 -2.185) 3.561 1.962 ( 1.425 1.775 -0.999) 2.486 2.057 ( 0.755 -1.093 3.578) 3.816 2.250 ( 5.261 -1.678 2.531) 6.074 2.254 ( -4.549 1.738 -4.298) 6.495 2.338 ( 4.105 -1.150 -4.333) 6.079 2.388 ( 3.319 -1.090 -3.573) 4.997 2.475 ( 4.960 -0.493 0.642) 5.026 2.507 ( -0.241 -0.295 7.159) 7.169 2.576 ( 0.173 2.165 3.703) 4.293 2.625 ( -1.297 -0.766 -0.497) 1.587 2.742 ( -2.855 4.269 -4.943) 7.128 2.772 ( 2.256 2.697 4.129) 5.424 2.842 ( -4.215 -5.998 0.160) 7.333 2.877 ( -0.213 2.355 -0.139) 2.369 2.921 ( -1.472 -2.091 3.081) 4.004 3.035 ( -4.604 -0.047 -1.605) 4.876 3.102 ( -0.105 3.123 -3.533) 4.717 3.132 ( 1.928 3.177 -1.369) 3.961 3.162 ( -1.990 4.668 1.787) 5.380 3.257 ( -1.055 0.362 2.407) 2.653 3.266 ( 2.426 -2.605 3.984) 5.342 3.353 ( 1.558 1.763 3.170) 3.948 3.380 ( -1.316 2.022 -0.428) 2.450 3.392 ( -0.867 0.163 1.738) 1.949 3.440 ( -0.161 -3.236 5.394) 6.293 3.527 ( -0.745 1.359 -0.931) 1.808 3.604 ( 0.533 2.788 3.161) 4.248 3.680 ( 3.030 7.997 0.146) 8.553 3.765 ( -3.619 -2.012 -5.795) 7.122 3.856 ( -2.674 -0.695 1.564) 3.174 3.902 ( 1.879 0.076 -4.915) 5.263 3.949 ( -1.927 2.761 -2.328) 4.093 4.037 ( 4.356 3.390 1.075) 5.623 4.087 ( 1.908 4.370 -1.395) 4.968 4.105 ( -1.552 5.228 -0.880) 5.524 4.170 ( 2.543 -1.561 -3.593) 4.671 4.270 ( 1.470 -0.247 -1.767) 2.312 4.362 ( 1.389 -1.069 -1.467) 2.286 4.455 ( 1.376 4.450 0.679) 4.707 4.521 ( -4.319 1.871 -2.473) 5.317 4.701 ( 1.774 0.494 4.236) 4.619 4.721 ( -2.542 -4.678 3.810) 6.547 4.778 ( -1.348 -0.154 -0.512) 1.450 4.863 ( -0.683 2.525 -0.132) 2.620 4.891 ( 1.805 -0.247 2.537) 3.124 4.954 ( -0.944 0.556 -2.463) 2.696 5.108 ( -0.710 2.857 3.974) 4.946 5.205 ( -1.214 1.428 -0.774) 2.028 5.463 ( -1.617 2.738 -1.235) 3.411 5.487 ( 1.921 6.811 -3.617) 7.947 5.644 ( 4.216 1.638 0.819) 4.597 5.677 ( -3.127 -1.857 -0.913) 3.750 5.711 ( 6.711 0.923 0.906) 6.834 5.738 ( -3.771 0.030 0.772) 3.850 5.819 ( -1.589 -0.070 3.081) 3.467 5.881 ( -4.917 -1.736 5.389) 7.499 5.929 ( 3.191 -3.978 2.072) 5.505 6.028 ( 2.765 -4.161 -1.378) 5.182 6.158 ( -0.788 -2.756 -4.022) 4.939 6.226 ( 0.029 -4.970 -5.624) 7.505 6.382 ( -3.039 -1.558 5.540) 6.508 6.537 ( -0.093 -1.036 -0.565) 1.184 6.565 ( 0.127 -3.192 1.912) 3.723 6.880 ( 4.300 -4.924 -12.108) 13.760 8.963 ( 0.151 -0.567 1.191) 1.328 9.022 ( -0.302 -2.482 -1.542) 2.937 9.154 ( -0.206 -0.250 -0.146) 0.355 9.169 ( 0.475 -0.536 -0.406) 0.823 9.359 ( 1.010 0.237 1.562) 1.875 9.414 ( -1.077 -1.265 2.677) 3.150 9.497 ( -0.615 0.958 -2.209) 2.485 9.549 ( 0.603 -0.102 -1.614) 1.726 10.171 ( -0.685 0.954 2.902) 3.130 10.247 ( -1.715 -1.325 2.302) 3.162 10.421 ( -0.527 2.948 -1.646) 3.417 10.505 ( 2.162 0.396 -2.385) 3.244 11.802 ( -0.727 0.506 1.034) 1.362 11.836 ( -0.185 -0.705 1.075) 1.298 11.945 ( -0.213 2.340 -0.629) 2.432 11.987 ( 1.249 0.909 -1.432) 2.107 13.302 ( -0.869 0.526 0.598) 1.178 13.317 ( 0.317 0.018 0.619) 0.695 13.363 ( -0.294 -0.486 -0.101) 0.577 13.394 ( 1.259 -1.046 -0.724) 1.790 14.589 ( -1.954 1.230 1.504) 2.756 14.624 ( -1.614 -0.159 1.833) 2.448 14.682 ( 0.894 2.514 -0.368) 2.694 14.733 ( 1.350 0.756 -1.616) 2.237 14.894 ( -1.565 1.121 4.804) 5.176 15.014 ( 0.938 -0.841 -1.822) 2.215 15.070 ( 2.228 0.517 -2.994) 3.768 15.095 ( -0.009 -0.136 -3.307) 3.310 15.205 ( -3.911 -0.001 5.950) 7.120 15.228 ( 0.226 -2.624 4.053) 4.834 15.480 ( 0.009 -1.601 0.010) 1.601 15.595 ( 1.069 -5.306 -3.564) 6.480 16.313 ( 0.229 0.415 0.578) 0.747 16.320 ( -0.310 0.044 0.735) 0.799 16.367 ( 0.881 1.859 -0.519) 2.122 16.383 ( -0.449 1.193 -0.804) 1.507 17.557 ( -0.431 0.492 0.913) 1.123 17.593 ( 0.650 -0.283 -0.963) 1.196 17.619 ( -0.467 -0.905 0.604) 1.184 17.648 ( 0.360 -1.327 -0.739) 1.561 20.758 ( -1.430 1.552 0.900) 2.294 20.799 ( 1.492 0.571 -0.485) 1.670 20.933 ( -1.834 -1.665 -0.496) 2.526 20.947 ( 2.256 -1.990 -0.447) 3.041 25.092 ( 0.173 -2.871 4.054) 4.971 25.106 ( -5.140 -3.861 6.746) 9.319 25.321 ( -3.025 -6.145 -3.885) 7.874 25.410 ( 7.159 -10.435 -4.232) 13.343 28.345 ( 0.094 -0.114 0.316) 0.349 28.357 ( 0.014 0.230 -0.213) 0.314 28.366 ( -0.316 -0.633 0.255) 0.751 28.379 ( 0.197 -0.334 -0.350) 0.522 29.653 ( 0.419 0.548 0.271) 0.741 29.671 ( -0.539 0.123 -0.579) 0.801 29.780 ( 0.332 -0.163 0.941) 1.011 29.816 ( -0.165 -0.879 -0.687) 1.128 32.022 ( -0.152 2.084 1.409) 2.521 32.059 ( -0.132 0.765 0.024) 0.777 32.224 ( 0.326 3.969 0.953) 4.095 32.262 ( 0.038 3.563 -0.813) 3.655 32.456 ( 0.954 2.996 -1.341) 3.418 32.522 ( -2.510 3.959 -3.456) 5.824 32.622 ( 0.561 0.103 3.612) 3.657 32.696 ( 2.195 1.800 0.325) 2.857 32.869 ( -0.762 1.424 0.183) 1.626 32.947 ( 0.550 0.918 -4.601) 4.724 33.110 ( -1.135 -1.072 1.707) 2.313 33.124 ( 1.189 -4.687 -0.293) 4.845 33.719 ( -4.674 7.875 7.954) 12.130 34.034 ( 0.937 6.944 -5.824) 9.111 34.120 ( -3.033 -5.483 5.373) 8.254 34.401 ( 6.067 -3.631 -7.013) 9.959 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -1.001 6.889 4.279) 8.171 1.430 ( 0.753 9.977 5.675) 11.503 1.497 ( -5.085 9.575 -0.603) 10.858 1.514 ( -2.620 6.291 2.045) 7.115 1.633 ( -7.919 5.454 -3.214) 10.138 1.739 ( -3.848 1.486 -0.647) 4.175 1.770 ( 1.730 1.156 -1.341) 2.476 1.905 ( -0.225 0.176 -3.715) 3.726 1.974 ( -1.590 -0.580 3.238) 3.653 2.139 ( 3.222 -0.768 1.173) 3.514 2.186 ( 1.901 -0.232 -5.020) 5.373 2.312 ( -3.087 -1.046 -1.873) 3.759 2.371 ( 1.984 -1.513 -7.170) 7.592 2.407 ( 3.274 0.432 -2.248) 3.995 2.519 ( -4.673 -3.023 -5.999) 8.183 2.532 ( -3.207 -1.073 9.319) 9.914 2.561 ( 0.741 -1.235 0.514) 1.529 2.611 ( -0.308 1.638 0.353) 1.704 2.667 ( -1.025 -1.516 0.891) 2.035 2.768 ( -3.626 2.681 -1.237) 4.676 2.797 ( 1.165 1.606 2.549) 3.230 2.886 ( 0.962 1.111 4.464) 4.700 2.941 ( 0.522 2.303 0.288) 2.378 3.001 ( 2.960 1.189 2.860) 4.284 3.108 ( 0.051 7.015 2.152) 7.338 3.136 ( -0.333 3.329 1.023) 3.498 3.176 ( 1.476 1.141 2.808) 3.371 3.208 ( -2.401 1.081 -0.327) 2.654 3.295 ( 0.950 1.704 -0.047) 1.952 3.349 ( -1.462 1.144 0.646) 1.966 3.381 ( 2.585 -1.366 -1.620) 3.343 3.461 ( 2.074 1.931 1.152) 3.059 3.509 ( 3.948 4.263 1.853) 6.098 3.579 ( 0.327 4.967 3.567) 6.124 3.639 ( 2.483 -2.437 4.716) 5.861 3.675 ( 0.030 -2.636 -4.403) 5.131 3.748 ( 2.948 4.361 0.527) 5.290 3.767 ( -1.869 0.067 -2.451) 3.083 3.949 ( 1.676 6.093 0.046) 6.320 3.998 ( 4.855 -4.162 1.320) 6.530 4.014 ( -2.960 3.605 -3.474) 5.816 4.074 ( -1.160 4.377 -3.750) 5.880 4.135 ( 1.716 1.136 0.662) 2.161 4.230 ( 5.474 -1.116 -4.638) 7.261 4.310 ( 2.104 -0.831 -0.956) 2.456 4.373 ( 4.154 -1.756 -4.450) 6.336 4.433 ( -3.051 2.048 -2.066) 4.215 4.502 ( 2.219 2.546 1.938) 3.893 4.667 ( -5.272 0.583 5.664) 7.760 4.707 ( -4.761 5.861 -1.531) 7.705 4.738 ( -1.844 -2.162 2.165) 3.572 4.818 ( -3.965 2.139 -0.784) 4.572 4.920 ( -0.391 -0.220 1.960) 2.011 4.944 ( 1.351 -2.417 1.539) 3.168 5.061 ( -5.924 5.944 1.936) 8.612 5.147 ( -3.519 -0.902 -1.231) 3.836 5.328 ( -9.428 2.386 -2.539) 10.051 5.466 ( -4.715 -2.732 -1.719) 5.714 5.543 ( -8.834 1.426 0.051) 8.949 5.598 ( -6.471 -0.520 0.984) 6.566 5.675 ( -3.256 3.071 1.702) 4.788 5.747 ( -2.048 3.544 -1.990) 4.551 5.780 ( -1.455 0.874 4.857) 5.145 5.892 ( 2.667 -2.966 0.432) 4.012 5.988 ( 1.092 -6.769 -1.051) 6.937 6.083 ( 0.725 -1.580 5.150) 5.435 6.162 ( 2.190 -1.570 -4.561) 5.298 6.223 ( 2.500 -1.792 -4.192) 5.199 6.433 ( 5.627 -2.872 4.106) 7.534 6.587 ( 5.201 -1.416 -0.465) 5.410 6.648 ( 6.693 -3.036 1.021) 7.420 6.941 ( 6.722 -6.889 -10.144) 13.984 8.987 ( 1.579 -1.036 1.408) 2.356 9.014 ( 0.298 -1.502 -1.335) 2.031 9.153 ( -0.244 -0.257 0.216) 0.415 9.187 ( 1.595 -1.845 -0.357) 2.464 9.398 ( 2.225 -0.355 0.970) 2.453 9.418 ( 0.515 -0.663 2.152) 2.310 9.486 ( 0.601 1.567 -1.856) 2.502 9.560 ( 1.091 -0.129 -1.377) 1.762 10.182 ( 0.288 0.873 2.779) 2.928 10.231 ( -1.161 -0.957 2.062) 2.553 10.406 ( 0.107 3.536 -2.459) 4.308 10.523 ( 0.815 0.119 -1.509) 1.719 11.780 ( -1.384 0.397 -0.335) 1.478 11.807 ( -3.419 -0.670 1.946) 3.991 11.956 ( 1.421 2.372 -0.898) 2.907 12.001 ( 0.654 0.952 -0.511) 1.263 13.283 ( -1.094 0.045 0.249) 1.123 13.312 ( -1.393 -0.681 0.625) 1.672 13.359 ( 0.119 0.293 -0.067) 0.323 13.413 ( 0.827 -1.114 -0.389) 1.441 14.574 ( 0.009 1.680 0.494) 1.752 14.628 ( 1.159 0.277 0.673) 1.368 14.699 ( 0.749 2.667 0.565) 2.827 14.758 ( 1.884 0.615 -0.538) 2.054 14.905 ( 0.423 1.147 3.586) 3.789 15.022 ( 1.012 -0.867 -2.443) 2.783 15.070 ( -0.459 1.161 -1.400) 1.876 15.109 ( 2.701 -0.172 -2.877) 3.950 15.159 ( -3.863 1.673 5.062) 6.584 15.253 ( -0.093 -3.444 4.708) 5.834 15.446 ( -3.016 -0.916 -0.257) 3.162 15.612 ( 2.194 -6.824 -3.534) 7.992 16.269 ( -3.548 1.343 0.001) 3.794 16.296 ( -2.403 0.235 0.662) 2.503 16.377 ( 0.041 1.200 -0.379) 1.259 16.389 ( 0.534 0.749 -0.397) 1.002 17.547 ( -0.965 0.717 0.639) 1.362 17.594 ( -0.162 -0.818 -0.976) 1.283 17.612 ( -0.475 -0.405 0.709) 0.945 17.647 ( -0.164 -1.481 -0.565) 1.593 20.725 ( -1.291 1.268 0.467) 1.868 20.830 ( 0.258 -1.631 -0.611) 1.760 20.917 ( 1.104 -0.166 0.251) 1.145 20.991 ( 2.409 -1.851 -0.703) 3.119 25.050 ( -2.326 -1.024 3.089) 4.000 25.150 ( 1.652 -4.533 6.735) 8.285 25.220 ( -4.012 -2.309 -3.305) 5.687 25.562 ( 9.206 -16.812 -4.109) 19.603 28.339 ( -0.854 -0.181 0.136) 0.884 28.348 ( -0.652 0.559 -0.189) 0.880 28.361 ( -0.351 -0.905 0.366) 1.037 28.383 ( 0.212 -0.339 -0.303) 0.502 29.660 ( 0.143 0.753 -0.347) 0.842 29.673 ( 1.017 0.175 0.252) 1.062 29.796 ( 0.858 -0.442 0.489) 1.082 29.821 ( 1.058 -1.077 -0.472) 1.582 32.000 ( -2.444 2.366 1.637) 3.775 32.034 ( -2.219 1.306 -0.556) 2.634 32.264 ( 2.793 3.180 0.280) 4.242 32.280 ( 1.985 3.267 -0.490) 3.855 32.464 ( 0.218 3.010 -2.314) 3.803 32.493 ( 1.259 3.776 1.001) 4.105 32.639 ( 0.358 1.063 0.546) 1.248 32.747 ( 2.862 -0.026 -0.441) 2.896 32.851 ( -1.046 2.425 0.842) 2.772 32.913 ( -2.114 0.282 -3.533) 4.127 33.065 ( -4.019 -1.271 0.529) 4.248 33.100 ( -3.627 -3.836 0.031) 5.279 33.615 ( -9.572 12.235 8.779) 17.843 34.044 ( 2.983 3.451 -3.455) 5.722 34.152 ( 4.082 -3.055 0.095) 5.099 34.483 ( 4.811 -5.397 -4.502) 8.518 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( -4.369 1.053 2.606) 5.195 1.336 ( -4.167 8.538 5.379) 10.918 1.370 ( -7.861 -0.335 -1.546) 8.019 1.527 ( -3.101 4.328 0.363) 5.337 1.611 ( 5.242 8.071 6.712) 11.733 1.670 ( -2.617 -0.496 -0.507) 2.711 1.802 ( 0.617 -2.908 -3.944) 4.939 1.876 ( -0.981 5.430 -3.560) 6.567 2.005 ( 4.090 -2.457 5.903) 7.590 2.138 ( -0.755 0.814 -6.850) 6.939 2.181 ( -2.812 -0.695 0.939) 3.045 2.270 ( 3.516 -2.407 -4.286) 6.044 2.356 ( 0.433 1.027 -2.352) 2.603 2.415 ( -0.145 -3.350 -6.674) 7.469 2.436 ( -1.560 -2.023 -0.575) 2.619 2.471 ( -5.047 4.549 2.058) 7.099 2.573 ( 0.515 -2.254 2.148) 3.156 2.624 ( -1.390 5.600 1.711) 6.018 2.686 ( 2.119 -0.522 4.117) 4.660 2.727 ( 0.841 2.562 -2.675) 3.799 2.842 ( 1.117 3.439 -0.382) 3.636 2.943 ( 2.247 1.590 6.290) 6.867 2.972 ( 1.567 2.056 0.109) 2.587 3.010 ( -1.916 -4.747 0.627) 5.157 3.101 ( -3.568 9.038 3.350) 10.278 3.148 ( 0.073 -4.307 4.174) 5.998 3.156 ( -0.424 2.248 -0.128) 2.291 3.312 ( 5.967 2.562 8.502) 10.698 3.317 ( 1.076 4.194 -2.070) 4.800 3.338 ( 0.407 0.382 -3.272) 3.320 3.386 ( -3.668 2.538 -2.536) 5.131 3.465 ( 3.650 2.378 -3.964) 5.890 3.509 ( -0.560 0.579 -2.375) 2.508 3.604 ( 0.244 6.210 2.791) 6.812 3.657 ( 0.108 1.898 0.625) 2.001 3.739 ( 1.404 -0.186 1.931) 2.395 3.763 ( 2.420 -0.434 -4.441) 5.077 3.812 ( 3.767 7.500 5.078) 9.810 3.911 ( -3.114 -0.253 -3.112) 4.410 3.997 ( -0.632 4.223 1.028) 4.392 4.007 ( -2.248 3.505 -1.680) 4.490 4.090 ( 1.917 0.095 -0.595) 2.010 4.199 ( 3.214 -5.404 0.054) 6.287 4.287 ( 2.293 5.175 -0.832) 5.721 4.322 ( 1.569 1.428 -4.165) 4.674 4.404 ( 2.051 1.000 -2.461) 3.357 4.466 ( 4.989 -1.814 -3.086) 6.141 4.481 ( -6.462 7.287 0.316) 9.745 4.564 ( -2.266 4.530 1.237) 5.214 4.657 ( 0.778 1.698 -0.107) 1.871 4.703 ( -2.299 -0.876 -0.788) 2.583 4.788 ( -0.945 -3.065 8.511) 9.096 4.901 ( -4.576 -1.922 2.561) 5.585 4.930 ( -3.692 0.450 1.703) 4.091 4.998 ( 0.423 1.863 1.046) 2.178 5.097 ( -0.436 -1.655 -2.626) 3.135 5.163 ( -6.742 1.383 -1.518) 7.048 5.311 ( -7.856 -3.511 -0.972) 8.660 5.401 ( -5.524 -4.203 -1.266) 7.056 5.526 ( -3.707 -3.652 0.756) 5.258 5.648 ( -0.755 8.954 1.801) 9.164 5.724 ( 0.901 4.774 -2.785) 5.600 5.782 ( -1.400 1.040 4.009) 4.372 5.851 ( -3.561 -5.887 -7.680) 10.311 6.007 ( 0.560 0.305 4.356) 4.403 6.106 ( -1.127 -2.915 5.367) 6.211 6.180 ( 2.182 -2.361 -3.610) 4.834 6.243 ( 1.042 0.229 -2.166) 2.414 6.574 ( 6.664 -4.117 1.808) 8.039 6.692 ( 4.724 -4.558 1.929) 6.842 6.765 ( 5.646 -0.481 -1.425) 5.843 6.967 ( 0.628 -5.879 -7.332) 9.419 9.018 ( 0.834 -0.848 -0.157) 1.200 9.026 ( 1.295 -1.470 1.110) 2.251 9.144 ( -0.849 -0.377 0.829) 1.244 9.207 ( 0.537 -2.734 -0.639) 2.859 9.436 ( 2.057 -0.432 -1.197) 2.419 9.457 ( 1.814 -0.689 1.030) 2.197 9.504 ( 1.802 1.404 0.200) 2.293 9.567 ( 0.248 0.172 -0.794) 0.849 10.207 ( 0.817 0.522 2.051) 2.268 10.224 ( -0.447 -0.434 1.560) 1.679 10.405 ( 1.012 3.562 -1.882) 4.154 10.518 ( -0.553 0.442 -1.388) 1.558 11.752 ( -3.024 -0.085 1.620) 3.432 11.761 ( -0.283 -0.244 -0.941) 1.013 11.976 ( 1.042 2.088 -0.357) 2.360 12.002 ( -0.394 1.414 0.103) 1.471 13.270 ( -0.310 -0.417 0.045) 0.522 13.287 ( -1.281 -0.924 0.021) 1.580 13.360 ( -0.340 0.507 1.014) 1.183 13.417 ( -0.041 -1.122 -0.565) 1.257 14.593 ( 1.932 2.324 -0.565) 3.074 14.648 ( 0.501 1.593 -0.773) 1.840 14.720 ( 0.807 1.996 1.998) 2.938 14.792 ( 1.985 0.241 -0.930) 2.205 14.934 ( 0.855 1.702 2.215) 2.921 15.026 ( 0.401 -0.889 -2.070) 2.288 15.060 ( -0.254 1.620 1.182) 2.022 15.120 ( -2.436 2.367 3.884) 5.160 15.151 ( 3.022 -1.187 -2.632) 4.180 15.264 ( -1.463 -3.371 4.762) 6.015 15.388 ( -2.981 0.037 0.556) 3.032 15.629 ( 1.878 -8.239 -4.591) 9.617 16.214 ( -2.123 1.560 0.022) 2.635 16.251 ( -2.529 0.115 0.303) 2.550 16.371 ( -0.520 1.055 -0.101) 1.181 16.384 ( -0.476 0.822 -0.469) 1.060 17.534 ( -0.612 0.976 0.498) 1.255 17.580 ( -0.690 -0.663 -0.740) 1.210 17.611 ( -0.021 -0.472 0.369) 0.600 17.637 ( -0.610 -1.555 -0.341) 1.705 20.724 ( 0.944 -0.045 0.206) 0.967 20.803 ( -2.141 -2.556 -0.479) 3.369 20.960 ( 2.469 0.588 0.318) 2.558 21.019 ( 0.984 -1.310 -0.748) 1.801 25.042 ( 0.081 -0.131 0.668) 0.685 25.152 ( -1.801 0.222 -2.449) 3.048 25.217 ( 0.958 -6.517 9.379) 11.461 25.670 ( 4.901 -20.647 -5.813) 22.003 28.323 ( -0.748 -0.021 0.043) 0.750 28.335 ( -0.602 0.695 -0.333) 0.978 28.357 ( -0.288 -1.145 0.659) 1.352 28.383 ( 0.005 -0.446 -0.344) 0.564 29.666 ( 0.585 1.075 -0.136) 1.232 29.690 ( 0.484 0.293 0.159) 0.588 29.817 ( 1.331 -0.828 -0.062) 1.568 29.838 ( 0.608 -1.441 -0.074) 1.566 31.965 ( -1.981 2.595 1.524) 3.604 31.991 ( -1.706 2.204 -0.635) 2.859 32.303 ( 1.648 3.212 -0.147) 3.614 32.314 ( 1.337 2.538 0.035) 2.869 32.471 ( 1.469 3.489 -1.081) 3.938 32.558 ( 4.530 2.586 2.258) 5.684 32.652 ( 1.232 2.799 -1.331) 3.336 32.739 ( -3.669 -1.366 -4.435) 5.916 32.847 ( 0.363 -0.322 0.823) 0.956 32.865 ( -0.615 0.961 -0.858) 1.427 32.985 ( -4.743 -1.304 -0.274) 4.927 33.008 ( -5.346 -2.668 -0.659) 6.011 33.534 ( -4.501 16.519 13.323) 21.694 34.098 ( 4.572 1.493 -4.849) 6.829 34.230 ( 3.969 -3.068 -0.988) 5.113 34.506 ( 0.028 -4.863 -3.721) 6.123 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.294 1.143 3.277) 3.704 1.274 ( -2.602 4.469 2.452) 5.723 1.357 ( 0.961 3.335 2.314) 4.172 1.448 ( -2.569 1.276 -3.413) 4.458 1.609 ( -4.416 -1.141 -0.234) 4.567 1.718 ( 2.493 1.570 4.635) 5.492 1.816 ( 1.927 -1.453 1.150) 2.674 1.852 ( 1.982 0.161 -3.178) 3.749 2.061 ( -1.581 2.044 -0.164) 2.589 2.129 ( -3.261 -0.706 0.194) 3.343 2.168 ( 4.962 1.620 0.241) 5.225 2.287 ( 2.789 -0.542 -7.999) 8.489 2.367 ( 0.353 -0.268 0.480) 0.654 2.389 ( -1.537 2.188 -0.263) 2.686 2.446 ( 3.217 -2.462 -4.481) 6.041 2.456 ( 2.913 2.129 6.150) 7.131 2.576 ( -1.209 2.914 -4.092) 5.167 2.612 ( -1.227 1.878 7.142) 7.486 2.730 ( 1.811 -1.070 -3.542) 4.119 2.746 ( 0.744 2.020 0.881) 2.326 2.785 ( -5.252 0.612 0.788) 5.346 2.960 ( -4.323 4.140 -1.029) 6.074 2.979 ( 1.595 3.109 -0.193) 3.500 3.021 ( -0.643 2.322 0.733) 2.518 3.074 ( 1.337 0.041 5.885) 6.035 3.147 ( -5.972 -5.164 8.637) 11.702 3.192 ( 3.075 -1.156 1.864) 3.777 3.259 ( -0.629 3.918 -1.021) 4.097 3.312 ( -1.156 2.058 -2.288) 3.287 3.377 ( 1.858 3.462 -3.883) 5.523 3.431 ( 4.441 1.153 4.039) 6.112 3.439 ( -4.874 -0.091 0.905) 4.958 3.562 ( -0.510 6.908 -1.190) 7.028 3.592 ( 5.272 -2.198 -4.111) 7.038 3.639 ( -2.588 3.474 -3.591) 5.627 3.738 ( -3.030 4.107 -6.071) 7.931 3.779 ( 2.111 1.891 0.228) 2.843 3.861 ( -0.852 0.494 6.014) 6.094 3.871 ( -5.535 8.243 -1.912) 10.111 3.954 ( 0.639 4.089 2.456) 4.812 3.985 ( 1.546 4.954 -0.794) 5.250 4.142 ( 4.611 5.951 2.972) 8.094 4.156 ( -2.968 -3.163 -7.070) 8.294 4.297 ( -1.826 2.994 -1.092) 3.673 4.337 ( -0.279 6.299 -0.452) 6.322 4.409 ( 0.746 2.690 0.478) 2.832 4.445 ( 2.094 0.465 -2.539) 3.324 4.511 ( 0.555 3.163 -1.001) 3.364 4.619 ( 3.705 -2.242 4.164) 6.008 4.691 ( 2.246 -0.917 -0.129) 2.429 4.701 ( 3.505 -0.204 2.467) 4.291 4.750 ( -4.766 -1.513 -1.293) 5.165 4.871 ( -5.091 -1.025 4.337) 6.766 4.916 ( 3.053 -0.998 6.995) 7.697 5.016 ( 0.928 -2.534 -2.347) 3.576 5.058 ( -2.258 -0.930 0.004) 2.442 5.112 ( 2.481 -0.986 -1.853) 3.250 5.262 ( 1.537 -2.884 5.179) 6.124 5.328 ( -0.173 -2.643 -6.073) 6.625 5.454 ( -3.109 -8.737 -2.932) 9.726 5.639 ( -1.509 8.858 0.943) 9.035 5.690 ( -2.520 4.098 -3.102) 5.724 5.792 ( 1.249 1.575 -0.385) 2.047 5.815 ( 3.233 -0.153 -2.527) 4.106 6.028 ( -0.800 0.680 4.283) 4.410 6.098 ( -2.205 -3.411 4.526) 6.081 6.208 ( 2.409 -3.168 -2.230) 4.562 6.240 ( -0.066 0.002 -2.125) 2.126 6.661 ( 0.866 -4.920 2.040) 5.396 6.728 ( -1.598 -5.591 2.078) 6.175 6.826 ( 0.101 -0.240 -3.353) 3.363 6.932 ( 1.718 -2.850 -5.233) 6.202 9.028 ( -0.322 -0.610 0.653) 0.950 9.042 ( 0.001 -1.276 0.692) 1.452 9.140 ( 0.088 -0.907 1.368) 1.643 9.204 ( -0.166 -2.817 -1.185) 3.061 9.452 ( -0.535 0.078 -0.867) 1.022 9.462 ( -0.760 -0.520 -1.059) 1.403 9.537 ( 0.911 0.656 1.234) 1.669 9.573 ( 0.742 -0.124 -0.218) 0.783 10.208 ( -1.052 0.307 1.196) 1.622 10.246 ( 1.280 -0.389 1.583) 2.072 10.421 ( 1.223 2.992 -0.343) 3.251 10.492 ( -1.031 1.153 -2.308) 2.778 11.720 ( -1.041 0.385 1.222) 1.651 11.766 ( 1.282 -0.889 -0.905) 1.804 11.987 ( -0.212 1.934 0.101) 1.948 11.992 ( -0.268 1.827 0.079) 1.848 13.267 ( -0.402 -0.701 0.125) 0.818 13.277 ( 0.766 -0.784 -0.437) 1.180 13.357 ( -0.754 0.443 1.736) 1.944 13.411 ( -0.201 -1.038 -0.851) 1.358 14.629 ( 1.676 2.558 -0.783) 3.157 14.643 ( 0.369 2.349 -1.565) 2.847 14.731 ( -1.325 1.717 2.790) 3.534 14.808 ( 0.234 0.754 -1.119) 1.370 14.958 ( 0.815 1.174 0.787) 1.631 15.008 ( -1.099 -0.299 -1.446) 1.840 15.059 ( -1.411 1.565 1.663) 2.685 15.121 ( 0.715 0.926 3.594) 3.780 15.186 ( 1.569 -2.599 -2.029) 3.651 15.250 ( -2.097 -2.476 4.551) 5.589 15.356 ( -0.775 0.799 1.403) 1.791 15.634 ( 1.442 -8.080 -5.369) 9.808 16.198 ( 0.113 0.994 0.507) 1.122 16.219 ( -0.595 0.420 -0.207) 0.757 16.364 ( -0.046 1.185 0.061) 1.187 16.378 ( 0.263 0.853 -0.609) 1.080 17.532 ( 0.096 1.016 0.700) 1.237 17.567 ( -0.207 -0.177 -0.891) 0.932 17.616 ( 0.406 -0.735 0.135) 0.851 17.626 ( -0.289 -1.592 -0.166) 1.626 20.753 ( 1.006 -1.583 0.057) 1.876 20.764 ( -0.920 -1.528 -0.303) 1.810 20.989 ( 0.088 0.326 0.432) 0.549 21.019 ( -0.243 -0.737 -0.932) 1.212 25.049 ( 0.357 -0.084 -0.021) 0.367 25.130 ( 0.748 0.903 -2.368) 2.642 25.267 ( -1.598 -8.472 11.728) 14.556 25.679 ( 0.032 -20.210 -7.903) 21.700 28.316 ( 0.005 0.062 0.101) 0.118 28.326 ( -0.024 0.714 -0.428) 0.833 28.358 ( -0.058 -1.168 0.755) 1.392 28.381 ( 0.083 -0.551 -0.393) 0.682 29.676 ( 0.344 1.052 0.320) 1.153 29.690 ( -0.342 0.589 -0.322) 0.753 29.835 ( -0.442 -1.099 0.048) 1.185 29.840 ( 0.453 -1.552 -0.174) 1.627 31.947 ( -0.748 2.860 1.153) 3.173 31.978 ( 0.627 2.265 -0.166) 2.356 32.325 ( -0.060 2.905 0.469) 2.943 32.327 ( 0.682 3.197 0.105) 3.271 32.490 ( 0.201 3.256 0.575) 3.312 32.593 ( -3.511 3.571 -4.054) 6.443 32.659 ( 1.354 2.004 0.159) 2.424 32.695 ( 2.097 -0.091 -1.814) 2.774 32.838 ( 1.042 0.163 -0.398) 1.127 32.879 ( -4.757 -0.843 -1.280) 4.998 32.904 ( 3.060 -1.967 0.863) 3.739 32.953 ( -0.468 -1.293 -1.395) 1.959 33.570 ( -0.690 15.406 16.300) 22.440 34.144 ( 3.577 1.876 -7.855) 8.833 34.268 ( -0.144 -4.285 0.905) 4.382 34.463 ( -1.904 -3.594 -4.292) 5.913 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.536 7.533 1.303) 7.664 1.331 ( 4.531 2.292 4.118) 6.538 1.444 ( 3.271 -0.311 -2.953) 4.418 1.447 ( 7.650 2.282 1.352) 8.097 1.535 ( -1.259 6.096 6.202) 8.787 1.764 ( 0.997 2.519 4.091) 4.907 1.855 ( -1.690 0.273 -1.408) 2.217 1.901 ( 6.906 -3.468 -5.385) 9.419 1.990 ( -5.750 -0.043 5.923) 8.255 2.137 ( 4.032 1.181 -1.578) 4.488 2.172 ( -1.410 4.033 -9.789) 10.680 2.270 ( -3.468 0.041 -4.275) 5.505 2.376 ( 1.391 0.432 -1.422) 2.035 2.410 ( 2.159 -4.935 -6.753) 8.638 2.472 ( 0.239 0.152 2.656) 2.672 2.518 ( -0.579 8.310 -0.778) 8.366 2.552 ( 2.424 2.533 5.054) 6.151 2.590 ( -2.551 -3.276 -1.434) 4.393 2.722 ( 1.386 -5.898 5.389) 8.108 2.760 ( -1.269 1.635 0.413) 2.111 2.804 ( 5.413 1.103 -0.174) 5.527 2.828 ( -6.077 2.918 2.485) 7.185 2.983 ( -5.320 2.369 2.379) 6.291 3.039 ( 2.259 3.005 1.356) 3.997 3.068 ( -2.558 -0.711 4.226) 4.991 3.135 ( 0.317 -0.209 0.712) 0.807 3.202 ( -4.110 6.467 1.126) 7.744 3.245 ( -0.051 1.298 -0.578) 1.421 3.298 ( 0.335 -0.263 -0.244) 0.491 3.374 ( -0.911 -2.458 5.640) 6.219 3.417 ( 2.132 5.486 -1.236) 6.014 3.484 ( -5.014 4.949 -5.312) 8.823 3.519 ( 0.697 1.104 -3.466) 3.703 3.535 ( 1.794 0.893 1.068) 2.271 3.627 ( -5.231 4.902 1.760) 7.382 3.689 ( -1.386 2.917 -3.012) 4.417 3.786 ( 0.470 1.522 -4.339) 4.622 3.838 ( 0.657 3.507 6.581) 7.486 3.947 ( 4.855 1.788 4.715) 6.999 3.953 ( 2.140 4.511 -0.739) 5.048 4.029 ( -1.425 3.668 -1.643) 4.265 4.091 ( 1.735 -3.042 -0.682) 3.568 4.175 ( -2.213 1.368 -3.125) 4.066 4.183 ( -4.396 4.531 0.413) 6.327 4.342 ( -1.831 2.085 -6.999) 7.529 4.392 ( -4.526 2.105 -3.112) 5.882 4.481 ( 4.083 3.476 1.876) 5.680 4.590 ( -0.127 -2.166 -0.892) 2.346 4.617 ( 2.150 0.044 2.217) 3.089 4.687 ( -0.339 -1.162 1.061) 1.609 4.718 ( 1.324 2.200 -3.435) 4.289 4.799 ( 0.224 -2.340 3.542) 4.252 4.856 ( 4.944 0.529 6.391) 8.098 4.944 ( -3.169 0.975 -0.242) 3.324 5.010 ( 1.859 0.282 2.564) 3.180 5.126 ( 4.414 1.137 1.660) 4.851 5.182 ( 7.891 -0.487 -1.951) 8.143 5.328 ( 4.619 -3.111 -6.906) 8.872 5.387 ( 7.088 -5.350 2.172) 9.142 5.445 ( 4.560 -6.522 0.692) 7.987 5.614 ( -0.393 6.663 0.333) 6.683 5.664 ( 0.034 5.972 0.191) 5.975 5.789 ( 0.070 4.138 -1.934) 4.568 5.896 ( 4.936 -3.446 -2.821) 6.648 6.017 ( -2.696 0.299 3.868) 4.724 6.079 ( -2.250 -3.997 3.621) 5.844 6.221 ( -0.099 -0.495 -3.163) 3.203 6.242 ( 1.531 -3.677 -0.820) 4.067 6.596 ( -7.475 -1.916 2.621) 8.150 6.690 ( -4.462 -0.795 -0.426) 4.552 6.752 ( -5.138 -5.636 0.660) 7.655 6.957 ( 2.271 -4.310 -7.915) 9.294 9.004 ( -2.066 -0.591 0.411) 2.188 9.044 ( -0.242 -1.499 0.501) 1.599 9.155 ( 0.406 -1.104 1.491) 1.899 9.192 ( -0.448 -2.061 -1.224) 2.438 9.399 ( -3.284 0.644 -0.640) 3.408 9.447 ( -1.388 -0.856 0.480) 1.700 9.546 ( -0.450 0.446 0.412) 0.756 9.575 ( -0.356 -0.254 -1.049) 1.136 10.192 ( -1.419 0.672 1.710) 2.321 10.270 ( 0.140 -1.267 1.719) 2.140 10.438 ( 0.381 2.459 0.521) 2.543 10.468 ( 0.329 1.624 -3.641) 4.000 11.730 ( 1.634 0.812 0.545) 1.904 11.793 ( 1.700 -1.102 0.144) 2.031 11.976 ( -0.411 2.222 -0.667) 2.356 11.989 ( -0.637 1.495 0.408) 1.675 13.268 ( 0.551 0.006 0.117) 0.563 13.299 ( 1.634 -1.108 -0.294) 1.996 13.350 ( -0.810 0.410 1.443) 1.705 13.403 ( -0.211 -0.938 -0.722) 1.202 14.627 ( -0.147 2.466 -1.117) 2.712 14.666 ( 1.494 1.448 -1.192) 2.398 14.701 ( -2.993 2.151 2.450) 4.426 14.787 ( -2.323 0.818 -0.156) 2.468 14.944 ( -2.722 0.434 1.986) 3.398 15.004 ( 1.548 -0.526 -1.792) 2.426 15.036 ( -1.221 1.484 0.354) 1.955 15.149 ( 0.116 -1.037 -0.443) 1.133 15.183 ( -0.204 -1.762 0.938) 2.006 15.246 ( -2.087 -2.209 7.452) 8.048 15.381 ( 3.090 0.967 -0.691) 3.311 15.628 ( 0.621 -7.114 -4.773) 8.589 16.214 ( 1.713 1.417 0.078) 2.224 16.240 ( 2.381 0.358 0.221) 2.418 16.369 ( 0.433 1.380 -0.094) 1.449 16.387 ( 0.893 0.532 -0.441) 1.129 17.541 ( 0.347 0.722 0.919) 1.219 17.568 ( 0.822 0.196 -0.951) 1.272 17.621 ( 0.027 -1.241 0.224) 1.261 17.631 ( 0.788 -1.274 -0.402) 1.551 20.731 ( -0.901 -0.171 0.243) 0.949 20.797 ( 2.239 -2.110 -0.502) 3.117 20.963 ( -2.676 0.435 0.414) 2.742 21.007 ( -0.866 -0.878 -0.854) 1.500 25.054 ( 0.118 -0.530 0.427) 0.691 25.158 ( 3.722 -0.221 -2.501) 4.490 25.265 ( -5.451 -9.398 12.315) 16.422 25.604 ( -3.432 -16.889 -8.450) 19.195 28.323 ( 0.618 0.055 0.089) 0.627 28.331 ( 0.725 0.576 -0.300) 0.973 28.362 ( 0.134 -0.979 0.680) 1.199 28.382 ( 0.154 -0.599 -0.444) 0.762 29.671 ( -0.902 0.829 -0.237) 1.247 29.686 ( -0.037 0.594 0.262) 0.650 29.811 ( -1.680 -0.701 -0.071) 1.822 29.843 ( -0.357 -1.566 -0.067) 1.607 31.953 ( 0.989 3.034 0.927) 3.323 32.005 ( 2.098 1.644 -0.016) 2.665 32.308 ( -2.068 3.371 -0.204) 3.961 32.323 ( -1.518 3.662 0.078) 3.965 32.466 ( -1.568 3.167 -0.801) 3.624 32.562 ( 0.676 2.304 2.104) 3.193 32.640 ( -2.309 1.446 -1.654) 3.187 32.693 ( -0.672 2.101 -3.430) 4.078 32.818 ( 0.075 1.191 -0.355) 1.245 32.925 ( 3.022 -3.006 -0.029) 4.262 32.960 ( 5.302 -0.121 0.365) 5.316 32.992 ( 4.896 -2.321 -0.857) 5.486 33.643 ( -0.197 12.723 14.843) 19.550 34.135 ( 0.755 5.412 -12.064) 13.244 34.237 ( -4.501 -6.625 5.929) 9.965 34.412 ( -0.924 -3.449 -5.857) 6.860 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -1.100 10.734 6.221) 12.455 1.407 ( 2.019 1.308 -1.747) 2.973 1.467 ( 3.015 6.653 -0.820) 7.350 1.594 ( 5.892 9.724 5.978) 12.846 1.711 ( 10.171 1.137 3.550) 10.832 1.758 ( -2.270 3.913 1.351) 4.721 1.834 ( 1.402 0.451 -4.748) 4.971 1.902 ( -4.064 0.275 0.934) 4.179 1.985 ( 2.207 -1.799 -7.536) 8.056 2.058 ( -2.726 4.904 0.119) 5.612 2.183 ( -2.666 2.369 -1.400) 3.831 2.259 ( 6.767 -1.677 -2.646) 7.457 2.329 ( 1.592 -5.364 -8.081) 9.829 2.399 ( -3.141 0.922 0.192) 3.279 2.459 ( -2.399 -0.188 -4.311) 4.938 2.502 ( -2.254 1.268 1.685) 3.086 2.536 ( 0.198 6.049 5.282) 8.033 2.675 ( 5.203 -0.849 0.556) 5.300 2.711 ( -4.899 1.884 2.156) 5.674 2.739 ( 0.371 4.035 1.704) 4.396 2.833 ( 5.563 -9.192 -0.585) 10.761 2.895 ( -1.874 4.052 1.105) 4.599 2.937 ( 0.108 -1.299 3.871) 4.085 3.059 ( 1.709 -2.893 2.237) 4.036 3.073 ( 1.597 1.103 3.115) 3.670 3.142 ( -0.313 9.326 3.032) 9.811 3.179 ( -1.106 1.023 -2.284) 2.736 3.232 ( 0.236 1.709 0.943) 1.967 3.267 ( -3.308 0.769 -0.058) 3.397 3.389 ( -2.889 -1.916 0.065) 3.467 3.397 ( -3.966 2.620 1.448) 4.969 3.433 ( 0.704 -1.887 6.709) 7.005 3.455 ( -4.784 1.939 -3.958) 6.504 3.545 ( -2.165 1.004 -0.138) 2.391 3.566 ( 2.474 3.086 -1.079) 4.099 3.710 ( 0.409 4.768 -0.121) 4.787 3.755 ( -0.082 7.473 1.156) 7.562 3.884 ( -2.174 -4.502 4.243) 6.557 3.928 ( 0.333 2.726 -4.651) 5.402 3.968 ( -0.738 0.457 -1.094) 1.397 4.052 ( 2.867 6.295 -1.259) 7.031 4.098 ( -5.936 -0.293 -3.098) 6.703 4.113 ( -0.060 3.609 0.559) 3.653 4.185 ( -3.407 -0.980 -3.647) 5.086 4.251 ( 4.406 0.460 -0.821) 4.505 4.335 ( -1.241 4.593 -1.825) 5.096 4.463 ( -2.645 -0.411 -2.668) 3.779 4.555 ( 1.666 1.318 0.183) 2.132 4.678 ( -0.895 0.367 1.167) 1.516 4.719 ( 1.198 -2.752 0.231) 3.010 4.766 ( 3.610 -2.761 -0.263) 4.552 4.833 ( 1.718 0.021 5.866) 6.113 4.885 ( -2.203 1.838 -0.234) 2.879 4.958 ( 2.124 2.678 -0.123) 3.420 5.064 ( 2.537 2.428 3.542) 4.988 5.191 ( 2.737 2.135 -0.622) 3.527 5.359 ( 10.639 2.752 -2.846) 11.352 5.454 ( 10.005 -1.393 -4.154) 10.922 5.484 ( 5.057 -1.211 0.552) 5.229 5.578 ( 6.212 0.151 1.950) 6.513 5.671 ( 6.058 1.280 0.234) 6.196 5.686 ( 1.597 1.800 4.114) 4.766 5.796 ( 1.989 2.618 -1.127) 3.475 5.923 ( -1.966 -1.714 0.996) 2.792 5.966 ( -4.396 -1.194 2.480) 5.187 6.043 ( -2.560 -5.659 -0.157) 6.213 6.200 ( -0.734 -2.081 -2.920) 3.661 6.251 ( 0.099 -4.084 -2.599) 4.842 6.467 ( -7.975 -0.969 4.393) 9.157 6.585 ( -4.329 3.452 -2.313) 6.001 6.643 ( -8.008 -8.986 3.439) 12.518 6.917 ( -0.609 -4.966 -11.272) 12.332 8.972 ( -1.512 -0.465 0.664) 1.715 9.036 ( -0.538 -2.551 -0.623) 2.680 9.163 ( -0.205 -0.523 0.388) 0.683 9.173 ( -0.955 -0.702 -0.414) 1.256 9.354 ( -1.261 0.703 0.563) 1.550 9.425 ( -1.415 -1.490 1.931) 2.820 9.525 ( -1.219 0.600 -1.582) 2.086 9.558 ( -0.611 -0.076 -1.103) 1.263 10.177 ( -1.327 0.898 2.509) 2.977 10.266 ( -1.430 -1.552 2.050) 2.942 10.437 ( -0.479 2.467 -0.383) 2.542 10.476 ( 2.271 1.122 -3.350) 4.200 11.777 ( 2.709 0.707 0.483) 2.841 11.821 ( 0.854 -0.542 1.027) 1.442 11.964 ( -1.002 1.814 -0.208) 2.082 11.978 ( 0.154 1.379 -1.091) 1.765 13.288 ( 1.318 0.633 0.342) 1.501 13.320 ( -0.031 -0.620 0.623) 0.879 13.350 ( 0.888 -0.105 0.060) 0.896 13.394 ( -0.449 -0.945 -0.554) 1.183 14.617 ( -1.220 1.665 0.760) 2.199 14.651 ( -1.768 0.847 0.102) 1.963 14.683 ( -0.694 1.589 1.121) 2.065 14.737 ( -1.655 0.754 -1.195) 2.176 14.910 ( -2.468 1.018 3.814) 4.656 15.011 ( -0.135 -0.834 -0.160) 0.860 15.041 ( 2.301 1.001 -2.777) 3.742 15.122 ( -0.789 -1.542 -3.894) 4.262 15.203 ( 0.392 -1.057 3.436) 3.616 15.237 ( -3.064 -1.672 7.280) 8.073 15.443 ( 3.574 -0.369 -0.681) 3.657 15.610 ( -0.158 -5.977 -3.790) 7.079 16.265 ( 3.587 1.388 -0.023) 3.847 16.289 ( 2.441 0.378 0.631) 2.549 16.371 ( -0.179 1.592 -0.356) 1.642 16.396 ( -0.064 0.420 -0.369) 0.563 17.552 ( 0.300 0.508 0.925) 1.097 17.582 ( 1.049 0.094 -0.801) 1.323 17.622 ( -0.107 -1.208 0.326) 1.256 17.642 ( 0.688 -1.259 -0.639) 1.571 20.736 ( 1.236 1.056 0.568) 1.722 20.817 ( -0.399 -0.780 -0.633) 1.081 20.924 ( -0.747 -0.508 0.238) 0.934 20.976 ( -1.977 -1.437 -0.763) 2.560 25.064 ( 0.534 -1.535 1.795) 2.421 25.196 ( -7.803 -7.703 10.191) 14.969 25.242 ( 6.840 -3.420 -2.626) 8.086 25.482 ( -5.337 -12.290 -6.939) 15.089 28.336 ( 0.659 0.024 0.120) 0.671 28.347 ( 0.973 0.300 -0.134) 1.027 28.367 ( 0.003 -0.715 0.480) 0.861 28.381 ( -0.013 -0.516 -0.455) 0.689 29.654 ( -0.584 0.774 -0.191) 0.988 29.683 ( -0.461 0.080 0.090) 0.476 29.784 ( -1.107 -0.123 0.292) 1.152 29.829 ( -0.860 -1.250 -0.268) 1.541 31.990 ( 2.179 2.676 1.165) 3.642 32.042 ( 1.725 1.026 -0.059) 2.008 32.252 ( -3.224 3.906 0.241) 5.070 32.286 ( -1.983 3.619 -0.390) 4.145 32.452 ( 0.443 3.131 -1.896) 3.687 32.583 ( -1.179 4.118 -1.461) 4.526 32.598 ( -0.953 -0.808 3.021) 3.269 32.668 ( 0.520 2.453 -1.034) 2.713 32.853 ( 2.194 0.949 0.915) 2.560 32.946 ( 1.699 -0.312 -3.814) 4.188 33.069 ( 4.669 -3.984 -0.291) 6.145 33.079 ( 3.701 -1.080 1.385) 4.096 33.706 ( -0.163 9.538 10.877) 14.468 34.071 ( -0.720 7.206 -9.809) 12.193 34.179 ( -5.526 -6.763 7.244) 11.347 34.373 ( 0.993 -2.980 -7.658) 8.277 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -1.741 4.413 1.795) 5.072 1.475 ( 0.059 -1.482 -2.285) 2.724 1.695 ( 2.017 10.069 0.636) 10.289 1.765 ( -1.783 2.804 3.695) 4.970 1.789 ( -2.808 -1.277 -0.403) 3.110 1.814 ( 0.152 1.891 1.879) 2.670 1.914 ( 1.905 2.316 -0.926) 3.138 1.934 ( 1.499 3.150 -6.640) 7.501 2.002 ( 1.831 3.632 -1.261) 4.259 2.067 ( -4.503 4.549 -1.113) 6.497 2.147 ( 3.374 -7.172 1.793) 8.126 2.212 ( 2.811 -6.097 -3.874) 7.752 2.342 ( 2.697 4.189 0.461) 5.003 2.439 ( -1.514 -0.133 -1.218) 1.948 2.448 ( 1.203 0.747 5.966) 6.132 2.501 ( 0.704 2.106 -1.479) 2.668 2.547 ( -1.802 -2.502 -2.198) 3.787 2.603 ( -1.385 -9.008 0.152) 9.115 2.682 ( -0.677 1.453 2.794) 3.221 2.750 ( 1.052 -3.579 3.296) 4.978 2.809 ( -1.637 0.412 5.503) 5.756 2.842 ( -4.109 -3.094 5.061) 7.217 3.006 ( -0.299 5.329 -5.470) 7.643 3.051 ( -1.438 0.961 -4.699) 5.007 3.170 ( -0.461 4.199 2.244) 4.784 3.198 ( 0.944 3.851 -0.365) 3.981 3.216 ( -0.224 0.689 2.342) 2.451 3.245 ( -3.094 -0.410 0.876) 3.241 3.265 ( 3.170 -0.533 0.449) 3.246 3.327 ( -3.473 -4.803 7.803) 9.799 3.354 ( 0.600 -0.088 4.529) 4.570 3.372 ( 2.238 -2.037 5.739) 6.488 3.490 ( 2.399 1.316 -3.271) 4.265 3.506 ( -1.018 -0.002 -3.037) 3.203 3.704 ( 0.830 3.207 -1.422) 3.605 3.733 ( 0.989 4.600 -1.070) 4.826 3.783 ( -4.843 -3.341 -3.981) 7.104 3.868 ( -1.165 -0.793 1.955) 2.410 3.929 ( 1.861 6.374 -0.198) 6.643 3.980 ( 1.553 4.644 -3.037) 5.762 4.060 ( 5.210 -2.464 -4.165) 7.111 4.095 ( -0.930 -5.196 -3.017) 6.080 4.183 ( 0.677 2.523 -4.248) 4.987 4.194 ( 1.939 2.253 -3.322) 4.458 4.290 ( -0.960 2.555 -0.048) 2.729 4.336 ( -0.870 -1.576 0.184) 1.810 4.547 ( 0.795 4.184 -1.163) 4.414 4.563 ( -3.356 3.202 -0.041) 4.639 4.652 ( -1.178 -1.739 8.018) 8.289 4.672 ( 0.524 -2.423 2.368) 3.429 4.737 ( -0.157 -2.309 -1.314) 2.662 4.778 ( -0.860 -6.779 4.072) 7.955 4.997 ( 1.490 7.171 -0.443) 7.337 5.037 ( -0.807 6.469 -1.090) 6.609 5.118 ( 0.271 -2.658 -0.818) 2.794 5.170 ( 0.688 -4.784 -1.955) 5.214 5.522 ( -0.638 2.750 -0.219) 2.831 5.582 ( 1.747 0.164 -1.599) 2.374 5.617 ( 3.338 -0.242 1.615) 3.716 5.670 ( -0.359 -2.006 -0.136) 2.043 5.715 ( -4.376 5.169 1.206) 6.879 5.796 ( 3.134 0.885 -0.822) 3.358 5.810 ( -3.529 0.129 -0.680) 3.596 5.845 ( 0.707 -2.010 -2.089) 2.984 5.931 ( 0.095 2.185 2.200) 3.102 5.974 ( 2.811 -1.442 1.179) 3.372 6.104 ( 0.472 -1.301 -3.318) 3.595 6.137 ( -0.089 -3.603 -3.512) 5.033 6.372 ( -3.744 0.487 8.240) 9.064 6.422 ( -2.868 -4.864 6.890) 8.909 6.642 ( 2.049 5.450 -4.443) 7.325 6.763 ( 2.583 -6.684 -7.867) 10.641 8.962 ( 0.071 0.475 0.353) 0.596 8.982 ( -0.008 -1.596 -0.561) 1.692 9.155 ( -0.215 0.304 -0.451) 0.585 9.162 ( 0.102 -0.305 -0.585) 0.668 9.369 ( 0.332 0.821 1.720) 1.935 9.389 ( -0.290 -1.252 2.046) 2.416 9.518 ( -0.137 1.155 -1.719) 2.076 9.539 ( 0.376 -0.911 -1.694) 1.959 10.193 ( -1.019 1.271 3.420) 3.789 10.219 ( -1.494 -1.402 3.375) 3.948 10.471 ( 0.663 2.062 -3.179) 3.846 10.500 ( 1.575 -0.881 -3.157) 3.636 11.812 ( -0.766 0.546 1.462) 1.739 11.823 ( -0.745 -0.629 1.515) 1.802 11.981 ( 0.393 1.325 -0.861) 1.629 11.995 ( 0.850 -0.117 -1.159) 1.442 13.312 ( -1.192 0.502 0.761) 1.500 13.319 ( -0.333 -0.079 0.976) 1.034 13.360 ( 0.570 0.268 -0.614) 0.880 13.373 ( 1.186 -0.964 -0.728) 1.693 14.612 ( -1.701 0.988 1.345) 2.383 14.623 ( -1.487 -0.155 1.540) 2.146 14.723 ( 1.244 1.571 -1.017) 2.247 14.740 ( 1.196 -0.202 -1.272) 1.757 14.935 ( -0.675 2.758 1.950) 3.445 14.986 ( 0.474 -2.226 -0.944) 2.464 15.083 ( 1.823 0.649 -3.291) 3.818 15.091 ( 1.297 -0.238 -3.580) 3.815 15.193 ( -1.652 -0.578 4.667) 4.985 15.198 ( -1.729 -0.793 4.147) 4.562 15.472 ( -0.106 0.834 -0.136) 0.852 15.512 ( 0.331 -3.220 -1.590) 3.606 16.317 ( 0.063 0.114 0.530) 0.546 16.319 ( -0.088 -0.086 0.556) 0.570 16.392 ( 0.193 0.746 -0.425) 0.880 16.397 ( -0.021 0.227 -0.560) 0.605 17.568 ( -0.225 0.678 0.442) 0.840 17.582 ( 0.030 -0.767 -0.190) 0.791 17.613 ( 0.064 0.246 -0.024) 0.255 17.625 ( 0.237 -0.986 -0.507) 1.134 20.787 ( -0.621 1.314 0.040) 1.454 20.803 ( 0.581 -0.270 -0.560) 0.850 20.910 ( -0.966 -0.511 -0.020) 1.093 20.916 ( 1.241 -1.054 -0.047) 1.628 25.054 ( -0.754 -0.986 3.154) 3.389 25.057 ( -1.805 -1.333 3.682) 4.312 25.243 ( -0.294 -1.591 -2.778) 3.215 25.268 ( 2.568 -4.282 -3.070) 5.861 28.347 ( -0.088 0.313 0.357) 0.483 28.355 ( -0.241 -0.464 0.339) 0.623 28.364 ( 0.113 0.398 -0.349) 0.541 28.372 ( 0.247 -0.431 -0.403) 0.640 29.665 ( 0.141 0.571 0.150) 0.607 29.672 ( -0.189 -0.121 -0.166) 0.279 29.782 ( 0.092 0.382 0.325) 0.511 29.796 ( -0.045 -1.005 -0.303) 1.050 32.053 ( -0.155 1.125 0.934) 1.470 32.065 ( -0.174 -0.127 0.469) 0.517 32.284 ( 0.012 2.181 0.065) 2.182 32.302 ( -0.070 0.476 -0.706) 0.855 32.511 ( 0.187 2.762 0.614) 2.836 32.557 ( -1.015 -1.329 1.379) 2.168 32.640 ( 0.600 2.946 -1.992) 3.606 32.695 ( 0.992 -1.837 -2.167) 3.009 32.900 ( 0.305 1.851 1.080) 2.164 32.937 ( 0.349 -1.683 -0.430) 1.772 33.065 ( 0.597 -0.822 -1.545) 1.849 33.081 ( 0.081 -1.786 -1.350) 2.240 33.873 ( -4.380 7.527 8.243) 11.991 34.002 ( -4.564 -5.829 7.705) 10.685 34.189 ( 3.086 7.394 -6.221) 10.143 34.315 ( 4.253 -5.408 -6.582) 9.522 ======================= Grid point 88 (46/70) ======================= q-point: ( 0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( -2.813 3.997 0.985) 4.986 1.459 ( -1.444 -3.892 -0.107) 4.152 1.609 ( -10.131 4.559 1.635) 11.229 1.657 ( -9.956 0.243 0.140) 9.960 1.776 ( -3.580 10.926 -0.451) 11.506 1.803 ( 0.723 3.513 1.212) 3.786 1.873 ( -4.081 1.031 -2.152) 4.727 1.894 ( -0.983 2.487 0.008) 2.674 2.004 ( -2.758 0.943 -3.903) 4.872 2.057 ( 4.496 -3.531 -1.616) 5.941 2.185 ( 3.135 0.608 0.176) 3.198 2.269 ( 2.732 -3.917 -2.862) 5.568 2.366 ( -2.244 0.812 -3.043) 3.867 2.403 ( 0.340 3.205 -1.852) 3.717 2.440 ( -4.951 -5.781 -3.228) 8.267 2.492 ( -1.783 -3.665 -1.079) 4.216 2.541 ( 2.968 1.144 3.018) 4.385 2.605 ( 0.637 -3.835 2.809) 4.796 2.660 ( -1.848 3.863 7.655) 8.771 2.782 ( -1.538 -7.169 9.965) 12.372 2.818 ( 3.026 2.185 1.660) 4.085 2.848 ( 0.466 -0.213 5.312) 5.337 3.013 ( 2.295 4.517 -6.743) 8.434 3.050 ( 0.863 4.602 0.724) 4.738 3.104 ( -3.185 -2.541 -2.394) 4.726 3.160 ( -1.860 -4.069 0.808) 4.547 3.216 ( 1.586 3.750 3.358) 5.278 3.304 ( -1.308 -4.411 4.315) 6.308 3.335 ( 7.266 7.020 3.645) 10.740 3.345 ( 0.007 4.672 -0.012) 4.672 3.377 ( -0.926 -0.072 -2.460) 2.630 3.454 ( 5.289 -3.472 4.371) 7.691 3.545 ( 6.809 -0.100 -0.467) 6.826 3.582 ( 3.510 -3.572 0.158) 5.011 3.640 ( -1.666 2.577 -2.826) 4.171 3.702 ( 0.144 -1.275 -0.874) 1.553 3.790 ( 1.753 6.394 -1.455) 6.787 3.859 ( 0.827 4.060 0.442) 4.167 3.974 ( -1.386 3.305 -1.216) 3.785 4.006 ( 3.346 0.378 -4.853) 5.907 4.034 ( -0.868 -1.432 0.196) 1.686 4.113 ( -0.954 -2.088 -5.491) 5.951 4.155 ( 1.198 1.717 -1.798) 2.760 4.213 ( 3.327 -1.951 -5.742) 6.917 4.318 ( 2.563 2.014 0.132) 3.262 4.348 ( 2.709 -0.985 -0.308) 2.899 4.494 ( -3.713 4.449 0.159) 5.797 4.532 ( -1.412 0.756 -0.092) 1.605 4.668 ( -1.338 -0.412 7.500) 7.629 4.686 ( -1.203 -3.373 2.516) 4.377 4.710 ( -1.057 0.285 -1.232) 1.648 4.793 ( -0.405 -7.881 4.928) 9.304 4.980 ( -2.744 6.259 -1.531) 7.004 5.017 ( -1.315 8.725 0.078) 8.824 5.082 ( -2.162 -3.087 -3.157) 4.917 5.157 ( -2.161 -1.035 -0.767) 2.516 5.380 ( -11.142 3.419 -1.802) 11.793 5.452 ( -11.525 2.458 -0.183) 11.786 5.483 ( -13.034 -5.062 -0.032) 13.983 5.547 ( -9.154 -5.066 0.315) 10.467 5.754 ( 1.749 2.632 2.481) 4.018 5.776 ( 3.674 -0.605 -1.922) 4.190 5.828 ( -1.151 2.788 -0.487) 3.056 5.856 ( -0.947 0.821 -0.698) 1.435 5.978 ( 3.241 3.441 1.917) 5.101 6.043 ( 1.686 -2.403 2.492) 3.850 6.126 ( 2.449 -0.854 -4.299) 5.021 6.168 ( 4.019 -3.665 -3.536) 6.487 6.416 ( 3.890 1.055 7.077) 8.145 6.478 ( 4.449 -5.275 5.814) 9.023 6.701 ( 6.125 4.545 -3.763) 8.505 6.809 ( 5.710 -6.483 -6.946) 11.085 8.977 ( 1.242 0.019 0.425) 1.313 8.988 ( 0.896 -1.055 -0.538) 1.485 9.154 ( -0.093 0.324 0.005) 0.337 9.164 ( 0.370 -0.766 -0.277) 0.895 9.395 ( 1.662 0.166 1.146) 2.025 9.404 ( 1.064 -0.672 1.293) 1.804 9.519 ( 1.011 1.701 -1.356) 2.399 9.547 ( 1.206 -1.143 -1.476) 2.223 10.199 ( -0.188 0.833 3.119) 3.234 10.214 ( -0.775 -0.795 2.885) 3.091 10.467 ( 0.660 2.707 -3.029) 4.115 10.509 ( 0.917 -1.511 -2.531) 3.087 11.787 ( -2.069 0.377 0.608) 2.189 11.795 ( -2.734 -0.474 1.368) 3.094 11.993 ( 1.086 1.390 -0.557) 1.850 12.009 ( 0.895 -0.172 -0.507) 1.043 13.288 ( -1.503 0.462 0.414) 1.626 13.299 ( -1.700 -0.630 0.513) 1.885 13.371 ( 0.585 0.919 -0.156) 1.100 13.392 ( 0.760 -1.113 -0.291) 1.379 14.608 ( 0.843 1.566 0.342) 1.811 14.628 ( 1.342 -0.429 0.505) 1.497 14.744 ( 1.127 1.746 0.088) 2.080 14.763 ( 1.557 -0.240 -0.242) 1.594 14.944 ( 0.933 2.630 0.788) 2.900 14.994 ( 1.052 -2.176 -1.751) 2.985 15.092 ( 0.898 1.053 -2.220) 2.616 15.106 ( 1.705 -0.327 -2.512) 3.053 15.177 ( -2.183 0.533 4.488) 5.019 15.198 ( -0.901 -1.945 4.539) 5.019 15.450 ( -1.864 1.510 -0.514) 2.453 15.505 ( -0.158 -4.166 -1.865) 4.567 16.287 ( -2.846 0.599 0.236) 2.918 16.295 ( -2.499 -0.281 0.453) 2.556 16.394 ( -0.053 0.551 -0.298) 0.629 16.398 ( 0.104 0.121 -0.374) 0.407 17.561 ( -0.648 0.782 0.328) 1.067 17.577 ( -0.478 -0.864 -0.111) 0.994 17.611 ( -0.224 0.267 -0.057) 0.353 17.623 ( -0.237 -0.967 -0.419) 1.080 20.755 ( -1.781 1.790 0.007) 2.525 20.793 ( -1.513 -2.051 -0.437) 2.586 20.929 ( 2.453 1.153 0.104) 2.712 20.956 ( 2.598 -1.643 -0.263) 3.085 25.045 ( -0.618 0.624 2.702) 2.841 25.078 ( 0.638 -2.764 3.997) 4.902 25.215 ( -0.590 2.143 -2.615) 3.432 25.317 ( 3.632 -8.703 -3.144) 9.941 28.340 ( -0.796 0.241 0.241) 0.866 28.347 ( -0.702 -0.489 0.272) 0.897 28.361 ( -0.193 0.677 -0.235) 0.742 28.374 ( 0.083 -0.590 -0.347) 0.689 29.673 ( 0.541 0.498 -0.084) 0.740 29.677 ( 0.837 0.081 0.117) 0.849 29.791 ( 0.687 0.054 0.202) 0.718 29.801 ( 0.702 -0.899 -0.228) 1.164 32.035 ( -1.944 1.266 0.997) 2.525 32.047 ( -1.759 0.038 0.276) 1.781 32.309 ( 2.279 1.471 -0.215) 2.721 32.318 ( 1.805 0.696 -0.499) 1.998 32.517 ( 0.285 2.390 0.339) 2.431 32.543 ( -0.508 0.444 1.306) 1.470 32.658 ( 1.933 1.936 -1.363) 3.056 32.713 ( 1.919 -2.923 -2.054) 4.055 32.893 ( -1.475 1.733 0.721) 2.388 32.911 ( -2.509 -0.295 -0.787) 2.645 33.035 ( -2.810 -1.108 -1.418) 3.337 33.044 ( -3.378 -1.860 -1.029) 3.991 33.824 ( -4.718 9.223 8.097) 13.148 33.976 ( -1.798 -6.578 6.120) 9.163 34.243 ( 5.409 7.441 -5.716) 10.830 34.376 ( 4.785 -6.025 -5.228) 9.302 ======================= Grid point 89 (47/70) ======================= q-point: ( 0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -5.027 2.263 1.021) 5.607 1.357 ( -8.128 -1.323 -0.390) 8.244 1.459 ( -3.933 4.630 0.504) 6.096 1.553 ( -0.562 -4.937 0.740) 5.024 1.662 ( -8.236 6.154 -1.244) 10.356 1.746 ( -6.772 -0.004 -0.443) 6.786 1.804 ( 0.130 2.661 0.352) 2.687 1.873 ( -3.011 -4.157 -0.571) 5.165 2.027 ( 6.647 4.264 -0.136) 7.899 2.110 ( 1.972 -3.556 -3.285) 5.228 2.233 ( -2.113 6.292 3.445) 7.478 2.267 ( 2.656 3.332 -4.174) 5.965 2.347 ( 2.863 -2.354 -3.629) 5.187 2.360 ( -2.752 -4.842 -2.288) 6.021 2.405 ( 0.612 0.216 -0.735) 0.981 2.446 ( -1.408 -3.677 -0.031) 3.938 2.590 ( 0.879 3.014 3.157) 4.452 2.646 ( 2.830 -1.599 2.247) 3.951 2.698 ( 0.032 2.240 5.315) 5.768 2.787 ( -1.525 -2.385 4.110) 4.991 2.892 ( 3.413 1.529 5.243) 6.440 2.924 ( 2.463 -0.898 6.082) 6.622 2.952 ( -4.490 1.917 0.014) 4.882 3.027 ( -2.498 -1.761 1.486) 3.398 3.093 ( 0.833 2.490 1.679) 3.117 3.171 ( -0.688 -2.466 1.544) 2.990 3.258 ( -3.069 4.483 -1.452) 5.624 3.297 ( 2.537 -0.129 -0.009) 2.541 3.339 ( 0.254 -0.319 -1.780) 1.826 3.356 ( -0.281 -0.641 -1.189) 1.380 3.430 ( -2.088 1.927 -1.388) 3.162 3.466 ( 5.273 -0.042 -1.785) 5.567 3.572 ( -2.923 5.071 -4.022) 7.102 3.682 ( -2.755 -3.806 -3.818) 6.054 3.701 ( 9.869 4.737 5.079) 12.068 3.774 ( 4.860 2.071 4.534) 6.962 3.795 ( 3.957 5.143 -2.739) 7.044 3.840 ( -3.332 -1.373 -2.385) 4.321 3.950 ( 1.519 0.660 -1.548) 2.267 3.968 ( 0.926 -5.001 -4.000) 6.471 4.083 ( 0.273 4.113 0.354) 4.137 4.108 ( 2.372 1.633 -1.281) 3.152 4.176 ( 0.659 1.700 2.131) 2.805 4.259 ( 4.267 -5.155 -4.587) 8.113 4.370 ( 4.815 1.638 -2.009) 5.469 4.419 ( 3.246 -2.365 1.881) 4.435 4.445 ( -0.404 4.215 -0.967) 4.343 4.507 ( -1.071 -1.413 0.316) 1.800 4.648 ( -4.807 -0.551 6.275) 7.924 4.677 ( -1.953 -1.219 2.007) 3.055 4.714 ( 1.973 3.331 -0.224) 3.878 4.785 ( -2.425 -3.143 2.603) 4.747 4.925 ( -2.800 7.183 1.554) 7.865 4.961 ( -3.445 5.040 -2.133) 6.467 5.029 ( -2.134 -1.528 -4.685) 5.370 5.074 ( -4.804 2.670 -0.564) 5.524 5.179 ( -8.832 -1.648 -2.278) 9.269 5.263 ( -8.200 -3.022 2.095) 8.987 5.296 ( -5.518 -2.936 -1.328) 6.390 5.389 ( -7.567 -8.038 -0.604) 11.056 5.787 ( 0.296 3.896 2.417) 4.594 5.799 ( -1.556 2.161 -0.290) 2.678 5.823 ( 1.649 2.934 -2.240) 4.043 5.840 ( 1.176 1.603 -0.524) 2.056 6.026 ( 0.625 1.889 2.377) 3.100 6.059 ( -0.595 -2.018 2.576) 3.325 6.136 ( 1.103 -0.223 -3.754) 3.919 6.200 ( 1.242 -4.409 -2.588) 5.262 6.536 ( 4.598 0.450 5.117) 6.894 6.587 ( 3.370 -4.530 5.309) 7.750 6.796 ( 5.490 2.479 -3.728) 7.084 6.864 ( 3.185 -4.618 -5.721) 8.012 9.004 ( 1.251 -0.377 0.318) 1.344 9.007 ( 1.187 -0.596 0.161) 1.338 9.146 ( -0.783 0.568 0.351) 1.029 9.166 ( -0.178 -1.508 -0.216) 1.534 9.433 ( 2.066 0.174 -0.351) 2.103 9.442 ( 2.103 -0.691 0.341) 2.240 9.535 ( 1.071 1.563 -0.331) 1.924 9.560 ( 0.645 -0.880 -0.813) 1.361 10.215 ( 0.148 0.288 2.371) 2.393 10.219 ( -0.043 -0.189 2.216) 2.224 10.466 ( 0.701 2.699 -2.229) 3.570 10.507 ( 0.156 -1.437 -1.970) 2.443 11.753 ( -2.230 0.146 0.930) 2.421 11.757 ( -1.225 -0.223 -0.036) 1.246 12.008 ( 0.611 1.099 -0.097) 1.261 12.017 ( 0.161 0.152 0.007) 0.222 13.268 ( -0.848 0.123 0.311) 0.912 13.274 ( -1.139 -0.474 0.242) 1.257 13.376 ( -0.154 0.999 0.328) 1.063 13.396 ( -0.058 -1.084 -0.224) 1.109 14.639 ( 2.340 2.059 -0.685) 3.191 14.662 ( 1.936 -0.208 -0.627) 2.046 14.761 ( 0.548 1.940 0.815) 2.174 14.788 ( 1.133 -0.724 -0.189) 1.357 14.969 ( 1.273 1.946 0.044) 2.326 15.004 ( 0.780 -1.494 -1.474) 2.239 15.096 ( 0.229 1.835 -0.237) 1.865 15.126 ( 1.528 -1.299 -1.490) 2.499 15.162 ( -1.973 1.872 4.523) 5.278 15.204 ( -1.271 -2.677 4.799) 5.640 15.412 ( -1.515 2.561 -1.250) 3.228 15.492 ( 0.227 -5.719 -2.983) 6.454 16.237 ( -2.293 0.872 0.157) 2.458 16.249 ( -2.392 -0.354 0.249) 2.431 16.386 ( -0.488 0.553 -0.193) 0.762 16.392 ( -0.440 0.013 -0.324) 0.546 17.552 ( -0.410 0.883 0.270) 1.011 17.567 ( -0.434 -0.703 -0.086) 0.830 17.605 ( -0.288 0.008 -0.100) 0.305 17.613 ( -0.548 -0.845 -0.308) 1.053 20.734 ( -0.462 0.993 -0.000) 1.095 20.761 ( -1.494 -1.784 -0.272) 2.343 20.975 ( 2.117 0.898 0.013) 2.299 20.995 ( 1.557 -1.171 -0.336) 1.977 25.055 ( 0.184 1.673 2.203) 2.772 25.112 ( 0.401 -4.202 4.936) 6.494 25.197 ( 0.034 4.834 -2.493) 5.439 25.356 ( 2.353 -11.916 -3.807) 12.729 28.327 ( -0.667 0.355 0.236) 0.792 28.336 ( -0.585 -0.539 0.187) 0.817 28.356 ( -0.259 0.788 -0.096) 0.835 28.371 ( -0.087 -0.739 -0.418) 0.853 29.685 ( 0.689 0.790 -0.025) 1.049 29.693 ( 0.679 -0.072 0.130) 0.695 29.806 ( 0.808 -0.196 -0.056) 0.833 29.813 ( 0.564 -0.951 -0.039) 1.106 32.006 ( -1.614 1.406 0.961) 2.346 32.016 ( -1.477 0.379 0.208) 1.539 32.346 ( 1.599 1.122 -0.063) 1.955 32.348 ( 1.223 0.887 0.307) 1.541 32.532 ( 1.400 2.782 -0.137) 3.118 32.574 ( 2.967 -1.128 1.824) 3.661 32.687 ( 1.827 1.646 -1.942) 3.134 32.719 ( -0.848 -1.171 -2.697) 3.060 32.847 ( -2.210 0.846 -0.459) 2.411 32.870 ( -1.887 -0.762 -0.698) 2.152 32.958 ( -4.719 -0.658 -0.796) 4.830 32.969 ( -3.272 -1.452 -1.082) 3.740 33.806 ( -2.144 11.668 10.138) 15.605 33.996 ( 0.265 -8.278 6.503) 10.530 34.305 ( 4.300 6.244 -6.858) 10.223 34.415 ( 2.156 -4.979 -5.557) 7.767 ======================= Grid point 90 (48/70) ======================= q-point: (-0.50 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 1.350 1.739 2.893) 3.636 1.298 ( 1.940 -1.152 1.918) 2.961 1.434 ( 0.016 4.346 -3.239) 5.420 1.494 ( -5.980 0.885 -4.753) 7.690 1.588 ( 1.997 1.483 1.464) 2.886 1.694 ( 1.661 -5.599 3.270) 6.693 1.817 ( 0.312 1.525 0.383) 1.603 1.836 ( 0.736 -0.689 -2.676) 2.860 2.122 ( 0.700 3.856 0.869) 4.015 2.147 ( -3.927 3.386 2.316) 5.679 2.175 ( 5.005 -1.435 0.576) 5.238 2.260 ( -5.110 -5.481 -2.224) 7.817 2.333 ( 3.914 3.147 -2.583) 5.648 2.396 ( 1.944 -2.284 -1.879) 3.539 2.420 ( 0.228 0.326 -1.600) 1.649 2.457 ( 3.684 -2.743 -1.061) 4.714 2.611 ( -1.438 3.955 5.887) 7.237 2.689 ( -3.245 0.540 3.769) 5.003 2.705 ( 0.476 0.648 -0.793) 1.129 2.790 ( 2.052 -1.380 -1.367) 2.825 2.829 ( -7.014 4.134 3.724) 8.953 2.957 ( -4.998 -6.328 4.430) 9.201 2.969 ( 0.174 0.281 4.456) 4.468 3.013 ( -0.951 0.066 4.992) 5.082 3.093 ( 0.287 2.907 3.231) 4.356 3.171 ( 0.280 -1.531 0.369) 1.599 3.201 ( -0.863 6.111 0.206) 6.175 3.325 ( 1.838 -5.275 -1.475) 5.777 3.328 ( 0.807 3.503 -0.049) 3.595 3.368 ( 2.654 0.060 2.977) 3.988 3.432 ( -1.617 2.539 -4.324) 5.268 3.487 ( -1.450 1.251 -5.276) 5.613 3.536 ( 1.713 -0.653 -4.959) 5.287 3.594 ( -0.074 -1.859 -5.036) 5.369 3.737 ( -4.363 1.539 -4.765) 6.642 3.757 ( -3.143 -1.018 -4.367) 5.476 3.869 ( 4.775 3.257 2.322) 6.229 3.892 ( 1.899 4.548 3.779) 6.211 3.970 ( 4.331 4.739 2.268) 6.809 4.050 ( -1.806 2.650 -0.563) 3.256 4.073 ( 0.776 4.853 0.293) 4.924 4.119 ( -2.372 -1.668 -2.917) 4.113 4.191 ( 3.036 -1.672 4.424) 5.620 4.268 ( -1.977 -4.844 -2.484) 5.792 4.435 ( 0.690 3.948 -0.299) 4.019 4.448 ( 3.237 2.118 -1.003) 3.996 4.509 ( -0.231 -0.328 2.548) 2.579 4.519 ( 2.716 -0.393 2.866) 3.967 4.602 ( -0.912 0.792 1.460) 1.895 4.615 ( -1.770 -1.543 5.097) 5.612 4.734 ( -1.595 1.418 -2.516) 3.299 4.773 ( 0.364 -0.386 -3.822) 3.858 4.866 ( -3.581 5.185 2.666) 6.842 4.940 ( 2.729 2.236 -0.889) 3.638 4.976 ( -0.716 -0.581 -1.759) 1.986 5.042 ( 1.667 -3.448 -2.613) 4.636 5.077 ( 0.557 0.106 0.050) 0.569 5.191 ( -1.206 -9.537 -0.326) 9.618 5.246 ( 0.265 0.008 -0.381) 0.464 5.299 ( -0.980 -4.624 -1.027) 4.837 5.772 ( -1.419 4.861 0.372) 5.078 5.803 ( 0.947 1.675 1.226) 2.282 5.829 ( 0.190 4.848 -1.395) 5.048 5.866 ( 1.090 1.623 -1.104) 2.246 6.026 ( -1.284 0.908 2.157) 2.669 6.066 ( -0.493 -0.942 3.150) 3.324 6.139 ( 1.416 -1.643 -3.022) 3.719 6.194 ( -0.186 -4.393 -2.979) 5.311 6.606 ( -0.067 -0.614 4.993) 5.031 6.636 ( -0.977 -3.429 5.316) 6.401 6.834 ( 0.076 1.088 -4.603) 4.730 6.874 ( 1.552 -2.861 -4.871) 5.858 9.018 ( -0.164 -0.195 0.549) 0.606 9.023 ( 0.174 -0.660 0.532) 0.866 9.137 ( -0.073 0.528 0.336) 0.630 9.159 ( -0.081 -1.718 -0.568) 1.811 9.453 ( -0.038 0.074 -0.579) 0.585 9.456 ( -0.769 -0.191 -0.692) 1.052 9.552 ( 0.642 0.807 0.346) 1.088 9.566 ( 0.461 -0.584 -0.337) 0.817 10.219 ( -0.637 0.758 1.838) 2.088 10.235 ( 0.172 -0.777 2.036) 2.186 10.470 ( 0.676 1.978 -1.453) 2.546 10.496 ( -0.148 -0.666 -2.075) 2.185 11.732 ( -0.310 0.808 0.659) 1.088 11.749 ( 0.494 -0.897 -0.120) 1.031 12.013 ( -0.099 0.774 0.121) 0.789 12.016 ( -0.279 0.540 0.081) 0.614 13.261 ( -0.037 0.017 0.333) 0.336 13.266 ( 0.268 -0.406 0.137) 0.505 13.372 ( -0.479 0.966 0.581) 1.225 13.391 ( -0.266 -1.009 -0.303) 1.086 14.673 ( 1.336 1.603 -0.872) 2.261 14.679 ( 0.596 0.990 -1.187) 1.656 14.768 ( -0.571 1.959 0.870) 2.218 14.801 ( 0.489 -1.294 -0.917) 1.660 14.981 ( -0.146 1.152 0.134) 1.169 14.999 ( -0.742 -0.665 -0.596) 1.161 15.095 ( -0.707 2.121 0.368) 2.266 15.138 ( 0.203 -2.160 -1.213) 2.485 15.155 ( -0.794 2.004 4.346) 4.851 15.200 ( -1.635 -2.513 5.520) 6.282 15.395 ( 0.781 3.331 -1.888) 3.908 15.490 ( 1.358 -6.405 -3.549) 7.447 16.215 ( -0.111 0.676 0.295) 0.746 16.223 ( -0.290 -0.072 0.071) 0.307 16.381 ( 0.093 0.557 -0.138) 0.581 16.386 ( 0.126 0.020 -0.374) 0.395 17.550 ( 0.046 0.842 0.348) 0.912 17.563 ( 0.024 -0.364 -0.160) 0.399 17.603 ( 0.196 -0.440 -0.188) 0.517 17.604 ( -0.237 -0.619 -0.207) 0.694 20.736 ( 0.221 -0.210 0.008) 0.305 20.742 ( -0.065 -0.742 -0.227) 0.778 20.996 ( 0.021 0.409 0.035) 0.411 21.006 ( -0.079 -0.615 -0.412) 0.744 25.066 ( -0.338 2.018 2.206) 3.009 25.133 ( -1.057 -4.848 5.440) 7.363 25.191 ( 0.590 5.306 -2.332) 5.826 25.361 ( 0.589 -12.467 -4.529) 13.277 28.321 ( -0.023 0.416 0.303) 0.515 28.330 ( -0.026 -0.418 0.099) 0.430 28.353 ( 0.006 0.663 0.003) 0.663 28.368 ( 0.060 -0.795 -0.502) 0.943 29.694 ( 0.127 0.671 0.168) 0.704 29.699 ( -0.132 0.158 -0.038) 0.210 29.816 ( -0.285 -0.643 -0.059) 0.706 29.816 ( 0.287 -0.687 -0.059) 0.747 31.992 ( -0.364 1.603 0.877) 1.864 32.004 ( 0.108 0.357 0.348) 0.510 32.364 ( 0.267 1.212 0.806) 1.479 32.368 ( 0.694 0.910 0.640) 1.311 32.553 ( 0.003 3.185 0.775) 3.278 32.609 ( -2.529 -2.109 -0.269) 3.304 32.682 ( 1.741 1.520 -2.852) 3.671 32.699 ( 0.231 0.152 -2.522) 2.538 32.832 ( -0.308 -0.482 -0.362) 0.676 32.842 ( 0.417 -1.579 -0.318) 1.664 32.903 ( 0.146 0.917 -0.785) 1.216 32.927 ( -0.255 -1.390 -1.456) 2.029 33.838 ( -0.985 11.956 12.087) 17.030 34.037 ( -0.132 -8.834 7.887) 11.843 34.319 ( 1.298 4.833 -8.445) 9.817 34.399 ( -0.213 -3.410 -6.708) 7.528 ======================= Grid point 91 (49/70) ======================= q-point: (-0.33 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 5.056 2.282 1.062) 5.648 1.400 ( 1.890 -1.934 -0.368) 2.729 1.447 ( 6.717 5.255 1.598) 8.677 1.482 ( 8.696 0.833 -1.155) 8.812 1.642 ( 3.718 5.920 -0.482) 7.007 1.787 ( 5.565 -6.477 -1.491) 8.669 1.823 ( 1.445 3.410 0.061) 3.704 1.892 ( 4.588 -2.911 1.942) 5.770 2.002 ( -7.772 5.627 1.004) 9.647 2.139 ( -3.898 -5.759 -6.898) 9.795 2.189 ( 3.016 2.995 -0.095) 4.252 2.267 ( -1.926 1.079 -1.854) 2.882 2.348 ( 4.232 -1.612 -1.704) 4.839 2.408 ( -1.560 -2.837 -5.097) 6.039 2.436 ( 1.787 1.127 1.503) 2.593 2.492 ( 0.004 -4.528 0.518) 4.558 2.583 ( -3.169 1.633 1.398) 3.829 2.631 ( -2.902 -2.338 2.090) 4.272 2.671 ( -1.398 6.383 5.562) 8.581 2.780 ( -2.876 -0.220 4.555) 5.391 2.816 ( -1.774 -2.515 5.236) 6.074 2.881 ( -4.466 -6.516 9.013) 11.985 2.962 ( 0.790 9.973 -0.713) 10.030 3.074 ( 3.944 -0.907 3.687) 5.475 3.116 ( 1.287 3.122 0.926) 3.501 3.156 ( -0.898 2.134 -2.794) 3.628 3.263 ( 3.052 0.159 5.148) 5.987 3.300 ( -4.343 2.248 -1.063) 5.005 3.332 ( -2.992 1.053 -2.577) 4.086 3.347 ( -0.960 2.630 -1.006) 2.975 3.398 ( -2.828 -3.763 -6.486) 8.014 3.447 ( -0.210 -5.728 -1.009) 5.820 3.562 ( 3.968 4.118 -0.535) 5.743 3.613 ( -3.209 1.287 -2.718) 4.398 3.654 ( 3.697 0.908 2.109) 4.352 3.728 ( 2.420 -4.798 -0.316) 5.383 3.843 ( -10.419 6.849 -2.032) 12.633 3.901 ( -4.246 1.187 0.209) 4.414 3.978 ( 1.657 1.547 2.036) 3.047 4.013 ( -0.599 -0.226 -1.258) 1.411 4.062 ( 1.441 4.703 -4.482) 6.654 4.152 ( -1.327 -1.624 -6.117) 6.467 4.171 ( 0.982 4.174 4.598) 6.287 4.239 ( -2.026 -0.986 -0.482) 2.304 4.383 ( -4.673 6.127 -3.720) 8.557 4.475 ( 1.178 3.501 0.175) 3.698 4.518 ( -6.721 -4.186 -0.744) 7.953 4.527 ( 1.653 0.424 2.196) 2.781 4.640 ( 2.743 0.362 6.221) 6.808 4.664 ( 1.132 -2.407 4.142) 4.922 4.688 ( -0.803 0.279 -1.586) 1.800 4.734 ( 0.275 -3.642 1.909) 4.121 4.909 ( 5.115 2.738 -0.240) 5.807 4.943 ( 1.685 -0.118 -2.736) 3.215 5.044 ( 4.239 1.789 -1.501) 4.840 5.097 ( 4.310 -4.273 -1.402) 6.229 5.188 ( 10.850 2.571 -0.196) 11.152 5.242 ( 7.906 -2.560 -2.614) 8.711 5.304 ( 6.648 -2.744 0.496) 7.209 5.339 ( 5.467 -4.830 0.175) 7.297 5.754 ( -0.729 7.205 1.009) 7.311 5.804 ( -1.386 5.810 -0.175) 5.976 5.845 ( 1.943 -0.712 -1.241) 2.413 5.867 ( 0.081 -1.150 -0.297) 1.191 6.014 ( -1.262 2.292 1.425) 2.979 6.053 ( -2.976 0.326 2.914) 4.178 6.158 ( 1.463 -3.986 -2.072) 4.725 6.171 ( -0.334 -3.765 -3.345) 5.048 6.573 ( -6.401 0.054 6.147) 8.875 6.611 ( -5.002 -3.921 5.741) 8.565 6.768 ( -3.841 3.712 -5.031) 7.338 6.859 ( -0.581 -5.376 -6.168) 8.203 9.001 ( -1.685 0.289 0.279) 1.732 9.016 ( -1.077 -1.234 0.207) 1.651 9.148 ( 0.774 0.271 0.507) 0.964 9.162 ( 0.518 -1.129 -0.360) 1.293 9.414 ( -2.785 0.856 -0.345) 2.934 9.430 ( -2.125 -0.838 0.196) 2.292 9.555 ( -0.392 0.554 -0.180) 0.702 9.566 ( -0.278 -0.555 -0.828) 1.034 10.212 ( -1.234 1.314 2.285) 2.910 10.241 ( -0.786 -1.595 2.462) 3.037 10.474 ( 0.588 1.233 -1.510) 2.036 10.485 ( 0.409 0.154 -2.864) 2.897 11.749 ( 1.761 1.126 0.552) 2.161 11.772 ( 1.780 -1.152 0.344) 2.148 12.005 ( -0.607 0.831 -0.202) 1.049 12.008 ( -0.686 0.470 0.108) 0.838 13.272 ( 1.040 0.371 0.347) 1.157 13.282 ( 1.337 -0.663 0.212) 1.508 13.365 ( -0.554 0.971 0.406) 1.189 13.384 ( -0.325 -1.011 -0.304) 1.104 14.669 ( -0.538 1.633 -0.964) 1.971 14.683 ( -0.317 0.156 -0.673) 0.760 14.747 ( -1.894 2.391 0.676) 3.124 14.783 ( -2.243 -1.116 -0.131) 2.508 14.964 ( -1.529 1.327 0.782) 2.170 14.988 ( -0.054 -1.083 -0.451) 1.174 15.074 ( -0.923 2.266 -0.887) 2.603 15.119 ( -1.014 -2.249 -1.958) 3.150 15.175 ( 0.233 1.037 3.853) 3.997 15.206 ( -0.929 -1.891 5.250) 5.657 15.418 ( 2.363 2.951 -1.535) 4.080 15.501 ( 1.403 -5.620 -2.719) 6.399 16.235 ( 2.046 0.752 0.183) 2.187 16.243 ( 2.180 -0.086 0.200) 2.191 16.388 ( 0.589 0.567 -0.153) 0.831 16.393 ( 0.687 0.011 -0.342) 0.767 17.555 ( 0.293 0.754 0.400) 0.903 17.567 ( 0.566 -0.344 -0.197) 0.691 17.604 ( 0.264 -0.256 -0.113) 0.385 17.610 ( 0.648 -0.803 -0.314) 1.079 20.738 ( 0.593 0.823 0.009) 1.015 20.761 ( 1.681 -1.573 -0.280) 2.319 20.974 ( -2.203 0.708 0.044) 2.315 20.990 ( -1.535 -0.881 -0.367) 1.808 25.063 ( -1.174 1.689 2.297) 3.083 25.125 ( -2.826 -4.818 5.544) 7.870 25.196 ( 1.326 4.070 -2.419) 4.917 25.336 ( -0.747 -10.520 -4.583) 11.499 28.328 ( 0.545 0.402 0.321) 0.749 28.336 ( 0.557 -0.246 0.065) 0.612 28.356 ( 0.286 0.417 0.059) 0.509 28.369 ( 0.246 -0.734 -0.535) 0.941 29.686 ( -0.859 0.650 -0.048) 1.078 29.693 ( -0.517 0.045 0.154) 0.541 29.803 ( -0.948 0.021 -0.057) 0.949 29.815 ( -0.424 -1.129 -0.040) 1.207 32.002 ( 1.018 1.841 0.769) 2.239 32.021 ( 1.353 -0.088 0.403) 1.414 32.357 ( -1.568 1.690 0.050) 2.306 32.367 ( -1.373 0.830 0.277) 1.628 32.523 ( -2.099 2.746 -0.043) 3.457 32.568 ( -1.632 -1.572 1.924) 2.973 32.669 ( -0.310 2.171 -2.264) 3.152 32.706 ( 0.462 -0.983 -2.812) 3.015 32.837 ( 1.043 1.069 -0.696) 1.647 32.867 ( 2.242 -2.277 -0.382) 3.218 32.954 ( 4.642 -0.087 -0.759) 4.704 32.964 ( 4.848 -0.994 -0.711) 5.000 33.875 ( -1.716 10.804 11.832) 16.114 34.059 ( -2.151 -8.355 8.767) 12.300 34.271 ( -1.403 5.020 -8.810) 10.237 34.352 ( -0.692 -3.329 -7.894) 8.595 ======================= Grid point 92 (50/70) ======================= q-point: (-0.17 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 0.339 3.312 1.132) 3.517 1.448 ( 4.200 0.750 -0.448) 4.290 1.600 ( 6.654 7.771 2.301) 10.486 1.685 ( 10.869 -1.696 0.030) 11.001 1.741 ( 6.319 3.982 -0.327) 7.476 1.813 ( -0.010 -0.776 0.421) 0.883 1.873 ( 0.569 3.398 -1.683) 3.835 1.927 ( 1.636 -0.483 -4.221) 4.553 1.958 ( 0.995 2.442 4.039) 4.823 2.092 ( 3.027 -9.944 -5.319) 11.676 2.174 ( -4.391 5.344 -2.347) 7.304 2.205 ( -1.745 0.893 -2.935) 3.530 2.334 ( 0.662 2.879 -3.810) 4.821 2.437 ( 0.351 -0.061 0.314) 0.475 2.438 ( -3.089 -1.441 5.269) 6.276 2.473 ( 2.948 -2.566 -2.454) 4.615 2.589 ( 0.430 -0.862 0.311) 1.012 2.642 ( 0.568 -6.899 1.714) 7.131 2.680 ( -1.043 1.486 3.598) 4.030 2.706 ( -5.035 -0.745 4.797) 6.994 2.811 ( -1.532 2.546 6.015) 6.709 2.872 ( -1.771 -4.289 7.213) 8.577 3.000 ( 3.758 7.326 -2.704) 8.666 3.100 ( -1.666 1.396 -4.666) 5.148 3.160 ( 2.006 7.792 2.517) 8.430 3.170 ( 1.400 1.122 1.823) 2.557 3.250 ( -0.829 -1.978 1.726) 2.753 3.260 ( -3.625 -0.771 -1.809) 4.124 3.268 ( -1.737 1.275 1.043) 2.394 3.329 ( -0.210 -0.106 0.335) 0.409 3.340 ( -3.521 -4.086 6.929) 8.781 3.394 ( -2.512 -5.037 -2.905) 6.334 3.548 ( -4.967 3.068 0.589) 5.868 3.599 ( -7.920 4.418 -0.154) 9.070 3.649 ( 3.479 4.395 -0.046) 5.606 3.724 ( -0.782 -3.747 -1.731) 4.200 3.809 ( 2.135 0.516 4.568) 5.068 3.875 ( 3.827 -3.891 0.437) 5.476 3.935 ( -2.703 6.648 -2.834) 7.716 4.010 ( -2.345 4.360 -7.362) 8.871 4.064 ( -0.417 -4.696 -6.085) 7.698 4.096 ( 1.144 -2.481 -2.827) 3.931 4.182 ( -0.326 2.624 -2.327) 3.523 4.185 ( -1.264 1.439 -1.034) 2.177 4.329 ( -0.630 5.612 -0.889) 5.717 4.380 ( -5.637 -0.386 -0.194) 5.654 4.512 ( 2.691 4.143 -0.481) 4.963 4.574 ( 2.145 -0.289 0.404) 2.202 4.645 ( -2.678 -1.266 7.388) 7.960 4.675 ( -1.238 0.144 1.723) 2.126 4.724 ( 1.676 -1.486 0.250) 2.254 4.766 ( 0.712 -5.885 3.052) 6.668 4.961 ( 2.577 4.954 -1.533) 5.791 5.019 ( 3.449 1.974 1.698) 4.322 5.088 ( 2.718 0.376 -2.576) 3.764 5.155 ( 2.432 -4.678 -1.665) 5.529 5.398 ( 10.713 1.618 -2.582) 11.138 5.428 ( 13.234 2.268 -0.003) 13.427 5.472 ( 9.950 -2.702 -0.208) 10.312 5.514 ( 12.175 -4.747 1.060) 13.111 5.759 ( 0.533 7.275 1.163) 7.387 5.773 ( -1.605 5.430 -0.433) 5.679 5.837 ( -1.188 -0.780 -0.929) 1.698 5.893 ( 1.475 -4.570 -0.669) 4.849 5.970 ( -5.303 2.088 1.392) 5.867 5.990 ( -4.041 1.166 1.822) 4.583 6.138 ( -1.023 -2.646 -3.341) 4.383 6.167 ( -0.182 -4.170 -2.378) 4.804 6.458 ( -8.957 0.604 7.446) 11.663 6.509 ( -8.834 -4.829 6.773) 12.134 6.675 ( -2.695 5.624 -5.143) 8.083 6.798 ( -1.535 -6.775 -7.624) 10.314 8.972 ( -1.305 0.564 0.199) 1.436 8.994 ( -1.025 -1.692 -0.311) 2.003 9.161 ( 0.263 0.125 0.039) 0.294 9.165 ( -0.180 -0.281 -0.328) 0.468 9.372 ( -1.532 1.129 0.750) 2.045 9.397 ( -1.589 -1.386 1.351) 2.504 9.537 ( -0.959 0.675 -1.232) 1.701 9.551 ( -0.652 -0.603 -1.236) 1.522 10.200 ( -1.430 1.473 3.070) 3.693 10.232 ( -1.580 -1.788 3.177) 3.974 10.474 ( 0.543 1.311 -2.525) 2.896 10.487 ( 1.457 -0.001 -3.291) 3.599 11.792 ( 2.020 0.829 0.981) 2.394 11.808 ( 1.454 -0.792 1.079) 1.976 11.990 ( -0.850 0.833 -0.333) 1.236 11.995 ( -0.312 0.358 -0.818) 0.946 13.299 ( 1.495 0.570 0.538) 1.689 13.310 ( 1.134 -0.530 0.645) 1.408 13.357 ( -0.214 0.741 -0.235) 0.806 13.375 ( -0.515 -1.026 -0.460) 1.237 14.646 ( -2.113 1.125 0.880) 2.551 14.657 ( -2.320 -0.076 0.696) 2.423 14.720 ( -0.783 1.733 -0.343) 1.932 14.742 ( -1.038 -0.395 -1.129) 1.584 14.945 ( -1.309 2.241 1.737) 3.123 14.986 ( -0.087 -1.822 -0.105) 1.827 15.067 ( 1.270 1.537 -2.949) 3.559 15.096 ( 0.102 -1.337 -3.331) 3.590 15.191 ( -0.645 0.190 3.910) 3.968 15.209 ( -1.585 -1.338 4.739) 5.173 15.455 ( 1.980 1.647 -0.639) 2.654 15.510 ( 0.835 -4.097 -1.824) 4.562 16.284 ( 2.774 0.602 0.230) 2.848 16.291 ( 2.475 -0.147 0.420) 2.514 16.394 ( 0.095 0.710 -0.288) 0.772 16.400 ( 0.160 -0.005 -0.347) 0.382 17.564 ( 0.333 0.703 0.437) 0.893 17.578 ( 0.550 -0.582 -0.201) 0.826 17.609 ( 0.312 0.055 -0.044) 0.320 17.620 ( 0.561 -0.949 -0.452) 1.191 20.761 ( 1.859 1.515 0.026) 2.398 20.792 ( 1.609 -1.622 -0.453) 2.329 20.929 ( -2.346 0.794 0.116) 2.479 20.949 ( -2.488 -1.285 -0.278) 2.814 25.053 ( -1.088 0.563 2.522) 2.804 25.091 ( -3.538 -3.493 4.876) 6.964 25.217 ( 2.428 1.117 -2.554) 3.696 25.294 ( -1.380 -6.880 -3.903) 8.030 28.341 ( 0.550 0.401 0.300) 0.744 28.349 ( 0.662 -0.302 0.192) 0.753 28.361 ( 0.244 0.271 -0.059) 0.369 28.371 ( 0.200 -0.554 -0.503) 0.774 29.670 ( -0.721 0.772 -0.018) 1.057 29.681 ( -0.705 -0.320 0.051) 0.776 29.787 ( -0.734 0.507 0.110) 0.898 29.804 ( -0.611 -1.207 -0.136) 1.360 32.032 ( 1.584 1.588 0.831) 2.391 32.050 ( 1.365 -0.262 0.423) 1.452 32.312 ( -2.664 2.167 -0.190) 3.440 32.329 ( -2.228 0.645 -0.392) 2.352 32.507 ( -0.006 2.645 -0.115) 2.648 32.559 ( -0.546 -2.643 2.085) 3.410 32.656 ( -0.534 3.263 -1.939) 3.833 32.694 ( 0.202 -0.323 -1.985) 2.022 32.871 ( 2.135 1.183 0.502) 2.492 32.908 ( 2.509 -2.643 -0.509) 3.680 33.031 ( 3.784 -0.073 -1.460) 4.056 33.050 ( 3.913 -1.609 -0.764) 4.300 33.890 ( -2.654 8.923 9.978) 13.646 34.045 ( -4.233 -7.120 8.893) 12.153 34.205 ( -0.631 6.264 -7.797) 10.022 34.307 ( 0.699 -4.214 -8.013) 9.081 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -20.677 0.000 -15.800) 26.023 0.857 ( 20.677 0.000 15.800) 26.023 1.140 ( 3.132 0.000 -16.899) 17.187 1.140 ( -3.132 0.000 16.899) 17.187 1.583 ( -1.096 0.000 -35.914) 35.931 1.583 ( 1.096 0.000 35.914) 35.931 1.789 ( 0.132 0.000 -9.914) 9.915 1.789 ( -0.132 0.000 9.914) 9.915 1.983 ( -5.727 0.000 -0.661) 5.765 1.983 ( 5.727 0.000 0.661) 5.765 2.171 ( -8.237 0.000 -4.922) 9.595 2.171 ( 8.237 0.000 4.922) 9.595 2.194 ( 0.099 0.000 -3.458) 3.460 2.194 ( -0.099 0.000 3.458) 3.460 2.528 ( 4.770 0.000 -4.097) 6.288 2.528 ( -4.770 0.000 4.097) 6.288 2.583 ( 3.993 0.000 -2.180) 4.549 2.583 ( -3.993 0.000 2.180) 4.549 2.733 ( -4.496 0.000 -8.091) 9.257 2.733 ( 4.496 0.000 8.091) 9.257 2.867 ( -11.918 0.000 -4.168) 12.626 2.867 ( 11.918 0.000 4.168) 12.626 2.975 ( -2.557 0.000 -4.527) 5.200 2.975 ( 2.557 0.000 4.527) 5.200 3.093 ( 1.996 0.000 -0.710) 2.119 3.093 ( -1.996 0.000 0.710) 2.119 3.159 ( -6.783 0.000 -8.380) 10.781 3.159 ( 6.783 0.000 8.380) 10.781 3.257 ( -0.236 0.000 -0.009) 0.236 3.257 ( 0.236 0.000 0.009) 0.236 3.278 ( -2.277 0.000 -0.513) 2.334 3.278 ( 2.277 0.000 0.513) 2.334 3.397 ( -2.387 0.000 -4.788) 5.350 3.397 ( 2.387 0.000 4.788) 5.350 3.536 ( -9.079 0.000 -0.634) 9.101 3.536 ( 9.079 0.000 0.634) 9.101 3.640 ( -2.755 0.000 -4.535) 5.306 3.640 ( 2.755 0.000 4.535) 5.306 3.833 ( 1.946 0.000 -3.201) 3.746 3.833 ( -1.946 0.000 3.201) 3.746 3.961 ( -4.234 0.000 -1.934) 4.655 3.961 ( 4.234 0.000 1.934) 4.655 4.155 ( -4.094 0.000 -6.971) 8.084 4.155 ( 4.094 0.000 6.971) 8.084 4.350 ( -1.127 0.000 -0.378) 1.188 4.350 ( 1.127 0.000 0.378) 1.188 4.477 ( 3.341 0.000 -9.019) 9.618 4.477 ( -3.341 0.000 9.019) 9.618 4.710 ( -1.805 0.000 -2.205) 2.850 4.710 ( 1.805 0.000 2.205) 2.850 4.779 ( -0.487 0.000 -3.536) 3.569 4.779 ( 0.487 0.000 3.536) 3.569 4.846 ( -1.305 0.000 -5.088) 5.252 4.846 ( 1.305 0.000 5.088) 5.252 5.040 ( -6.571 0.000 -0.471) 6.588 5.040 ( 6.571 0.000 0.471) 6.588 5.312 ( -0.455 0.000 -1.756) 1.814 5.312 ( 0.455 0.000 1.756) 1.814 5.541 ( -1.000 0.000 -0.096) 1.005 5.541 ( 1.000 0.000 0.096) 1.005 5.643 ( 4.795 0.000 -2.018) 5.203 5.643 ( -4.795 0.000 2.018) 5.203 5.723 ( -3.522 0.000 -1.311) 3.758 5.723 ( 3.522 0.000 1.311) 3.758 5.957 ( -3.649 0.000 0.224) 3.656 5.957 ( 3.649 0.000 -0.224) 3.656 6.419 ( -2.355 0.000 -0.794) 2.485 6.419 ( 2.355 0.000 0.794) 2.485 6.660 ( -2.029 0.000 -0.121) 2.032 6.660 ( 2.029 0.000 0.121) 2.032 7.085 ( 18.839 0.000 -7.698) 20.351 7.085 ( -18.839 0.000 7.698) 20.351 9.055 ( -1.843 0.000 -3.796) 4.220 9.055 ( 1.843 0.000 3.796) 4.220 9.260 ( -6.154 0.000 0.603) 6.184 9.260 ( 6.154 0.000 -0.603) 6.184 9.371 ( 0.517 0.000 -2.856) 2.902 9.371 ( -0.517 0.000 2.856) 2.902 9.521 ( 2.754 0.000 -1.262) 3.029 9.521 ( -2.754 0.000 1.262) 3.029 10.202 ( 0.671 0.000 -3.559) 3.622 10.202 ( -0.671 0.000 3.559) 3.622 10.357 ( 1.581 0.000 -1.422) 2.126 10.357 ( -1.581 0.000 1.422) 2.126 11.763 ( 1.009 0.000 -1.492) 1.801 11.763 ( -1.009 0.000 1.492) 1.801 11.904 ( 0.795 0.000 -1.051) 1.318 11.904 ( -0.795 0.000 1.051) 1.318 13.309 ( -2.000 0.000 -0.870) 2.181 13.309 ( 2.000 0.000 0.870) 2.181 13.415 ( -1.098 0.000 -0.296) 1.137 13.415 ( 1.098 0.000 0.296) 1.137 14.553 ( 1.671 0.000 -1.629) 2.333 14.553 ( -1.671 0.000 1.629) 2.333 14.710 ( -1.473 0.000 0.135) 1.479 14.710 ( 1.473 0.000 -0.135) 1.479 15.052 ( -1.080 0.000 -1.582) 1.916 15.052 ( 1.080 0.000 1.582) 1.916 15.065 ( 0.115 0.000 -1.924) 1.928 15.065 ( -0.115 0.000 1.924) 1.928 15.435 ( 1.644 0.000 -4.556) 4.844 15.435 ( -1.644 0.000 4.556) 4.844 15.947 ( -21.577 0.000 4.084) 21.960 15.947 ( 21.577 0.000 -4.084) 21.960 16.156 ( 2.192 0.000 -0.991) 2.405 16.156 ( -2.192 0.000 0.991) 2.405 16.289 ( 1.049 0.000 -0.595) 1.206 16.289 ( -1.049 0.000 0.595) 1.206 17.566 ( 1.240 0.000 -1.481) 1.932 17.566 ( -1.240 0.000 1.481) 1.932 17.693 ( 1.400 0.000 -0.769) 1.597 17.693 ( -1.400 0.000 0.769) 1.597 20.743 ( 4.086 0.000 -2.204) 4.643 20.743 ( -4.086 0.000 2.204) 4.643 21.054 ( 1.909 0.000 -1.096) 2.201 21.054 ( -1.909 0.000 1.096) 2.201 25.413 ( -7.442 0.000 -12.038) 14.153 25.413 ( 7.442 0.000 12.038) 14.153 26.189 ( -55.933 0.000 -4.093) 56.082 26.189 ( 55.933 0.000 4.093) 56.082 28.368 ( -0.008 0.000 -1.355) 1.355 28.368 ( 0.008 0.000 1.355) 1.355 28.428 ( -4.415 0.000 0.294) 4.425 28.428 ( 4.415 0.000 -0.294) 4.425 29.672 ( 0.541 0.000 -1.239) 1.352 29.672 ( -0.541 0.000 1.239) 1.352 29.796 ( 0.204 0.000 -0.934) 0.956 29.796 ( -0.204 0.000 0.934) 0.956 31.939 ( -1.297 0.000 0.256) 1.322 31.939 ( 1.297 0.000 -0.256) 1.322 31.964 ( -1.310 0.000 -1.721) 2.162 31.964 ( 1.310 0.000 1.721) 2.162 32.331 ( -0.448 0.000 -0.407) 0.605 32.331 ( 0.448 0.000 0.407) 0.605 32.348 ( 0.610 0.000 -0.452) 0.759 32.348 ( -0.610 0.000 0.452) 0.759 32.658 ( -1.918 0.000 -2.743) 3.347 32.658 ( 1.918 0.000 2.743) 3.347 33.269 ( 1.759 0.000 -6.412) 6.649 33.269 ( -1.759 0.000 6.412) 6.649 33.503 ( -24.930 0.000 -0.369) 24.932 33.503 ( 24.930 0.000 0.369) 24.932 34.539 ( -10.865 0.000 0.687) 10.886 34.539 ( 10.865 0.000 -0.687) 10.886 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 10.118 0.000 -7.368) 12.516 1.013 ( 9.790 0.000 -19.150) 21.507 1.283 ( 7.693 0.000 1.223) 7.790 1.309 ( 4.208 0.000 14.975) 15.555 1.495 ( 5.118 0.000 -11.272) 12.380 1.678 ( -9.675 0.000 13.650) 16.731 1.730 ( -0.381 0.000 -9.186) 9.194 1.853 ( -8.164 0.000 1.589) 8.317 1.967 ( -11.221 0.000 -1.110) 11.276 2.000 ( 10.793 0.000 17.225) 20.327 2.096 ( 5.416 0.000 -2.047) 5.790 2.181 ( -0.271 0.000 -3.726) 3.735 2.241 ( 1.018 0.000 4.969) 5.072 2.337 ( 11.467 0.000 5.314) 12.639 2.421 ( -5.326 0.000 6.463) 8.375 2.481 ( -6.860 0.000 -8.300) 10.768 2.488 ( -5.738 0.000 -7.494) 9.438 2.613 ( -3.736 0.000 -7.802) 8.650 2.670 ( 6.368 0.000 -2.132) 6.716 2.727 ( -0.332 0.000 6.590) 6.598 2.880 ( 6.598 0.000 8.519) 10.776 2.904 ( -0.639 0.000 0.406) 0.757 2.938 ( -7.735 0.000 -2.573) 8.152 2.981 ( -7.157 0.000 -0.705) 7.191 2.987 ( -0.856 0.000 -0.081) 0.860 3.089 ( -0.420 0.000 1.314) 1.380 3.106 ( -5.579 0.000 1.423) 5.757 3.217 ( -1.781 0.000 -6.756) 6.987 3.249 ( 1.319 0.000 4.516) 4.705 3.260 ( 2.322 0.000 0.901) 2.490 3.292 ( 3.921 0.000 4.964) 6.326 3.324 ( 3.075 0.000 -1.403) 3.380 3.388 ( 2.817 0.000 -0.934) 2.968 3.472 ( 0.404 0.000 4.662) 4.680 3.479 ( 1.236 0.000 3.000) 3.245 3.563 ( -2.153 0.000 -0.610) 2.238 3.610 ( 0.397 0.000 -4.856) 4.872 3.753 ( 0.785 0.000 -0.551) 0.959 3.772 ( -6.421 0.000 -0.941) 6.490 3.880 ( 4.930 0.000 6.138) 7.873 3.917 ( -0.086 0.000 1.192) 1.195 4.032 ( -4.100 0.000 -5.091) 6.537 4.112 ( 7.842 0.000 1.326) 7.953 4.196 ( -4.270 0.000 -0.606) 4.313 4.262 ( -7.967 0.000 -5.045) 9.429 4.337 ( -0.205 0.000 2.391) 2.399 4.501 ( 0.952 0.000 -6.930) 6.995 4.523 ( 3.208 0.000 14.762) 15.106 4.651 ( 0.746 0.000 0.250) 0.787 4.676 ( -1.527 0.000 -6.410) 6.590 4.789 ( 0.218 0.000 -0.100) 0.240 4.791 ( -0.810 0.000 -6.575) 6.625 4.798 ( -1.523 0.000 1.525) 2.155 4.858 ( -1.784 0.000 1.752) 2.500 4.965 ( -0.328 0.000 1.501) 1.536 5.124 ( 0.399 0.000 0.543) 0.674 5.265 ( -0.780 0.000 -3.480) 3.566 5.302 ( -1.777 0.000 0.477) 1.840 5.481 ( -4.553 0.000 1.640) 4.839 5.483 ( -7.084 0.000 -0.011) 7.084 5.629 ( -2.754 0.000 -0.811) 2.871 5.654 ( 1.802 0.000 5.961) 6.227 5.714 ( 2.307 0.000 -3.630) 4.302 5.774 ( 2.941 0.000 -4.125) 5.066 5.961 ( 4.335 0.000 1.339) 4.537 6.010 ( 2.266 0.000 -2.683) 3.512 6.396 ( -0.146 0.000 -2.117) 2.122 6.404 ( -11.433 0.000 7.667) 13.766 6.603 ( 5.745 0.000 -6.168) 8.428 6.678 ( 1.845 0.000 3.400) 3.869 6.991 ( 3.671 0.000 -0.212) 3.677 7.366 ( 12.290 0.000 -15.098) 19.468 9.030 ( 0.392 0.000 -1.542) 1.591 9.122 ( 1.546 0.000 3.856) 4.154 9.184 ( -0.582 0.000 0.397) 0.704 9.331 ( 0.365 0.000 -0.218) 0.426 9.377 ( 1.691 0.000 -2.985) 3.430 9.422 ( 4.393 0.000 1.046) 4.516 9.491 ( 0.585 0.000 1.049) 1.201 9.548 ( 0.422 0.000 -0.180) 0.459 10.195 ( -1.840 0.000 3.586) 4.030 10.196 ( 1.244 0.000 -3.335) 3.559 10.329 ( -2.270 0.000 1.269) 2.600 10.366 ( 0.178 0.000 -1.841) 1.850 11.757 ( -0.311 0.000 1.367) 1.402 11.772 ( 0.635 0.000 -1.084) 1.256 11.890 ( -0.895 0.000 0.167) 0.911 11.903 ( -0.451 0.000 -0.853) 0.965 13.285 ( -0.049 0.000 -0.900) 0.902 13.358 ( 3.041 0.000 -0.883) 3.167 13.390 ( -1.314 0.000 -0.540) 1.421 13.432 ( 0.563 0.000 0.412) 0.697 14.539 ( -0.551 0.000 1.095) 1.226 14.578 ( 1.588 0.000 -1.297) 2.050 14.678 ( -1.715 0.000 0.024) 1.715 14.724 ( -0.025 0.000 0.380) 0.381 15.015 ( -1.448 0.000 -0.296) 1.478 15.034 ( -0.489 0.000 -2.523) 2.570 15.081 ( 0.241 0.000 -0.856) 0.889 15.090 ( -1.643 0.000 3.668) 4.019 15.326 ( -11.442 0.000 9.986) 15.187 15.409 ( -0.860 0.000 -3.893) 3.987 15.654 ( -8.497 0.000 14.262) 16.601 16.002 ( -4.870 0.000 -3.022) 5.731 16.173 ( 0.940 0.000 0.983) 1.359 16.244 ( -0.228 0.000 1.465) 1.483 16.287 ( 0.164 0.000 0.330) 0.368 16.379 ( 2.839 0.000 5.293) 6.006 17.544 ( -1.746 0.000 1.479) 2.288 17.569 ( 0.145 0.000 -2.412) 2.416 17.679 ( -0.757 0.000 1.341) 1.540 17.706 ( -0.055 0.000 -1.316) 1.317 20.732 ( 2.682 0.000 -0.358) 2.705 20.821 ( 5.170 0.000 -3.676) 6.344 21.023 ( -1.898 0.000 1.372) 2.342 21.064 ( -0.205 0.000 -1.876) 1.887 25.247 ( -5.476 0.000 -6.791) 8.724 25.391 ( -25.014 0.000 10.003) 26.940 25.686 ( 6.843 0.000 20.394) 21.512 27.005 ( 11.997 0.000 13.529) 18.082 28.352 ( -0.843 0.000 -1.095) 1.382 28.353 ( -1.911 0.000 1.239) 2.277 28.401 ( -0.235 0.000 1.608) 1.625 28.544 ( 3.916 0.000 2.102) 4.445 29.651 ( -1.977 0.000 -0.312) 2.002 29.668 ( -0.063 0.000 -1.307) 1.308 29.814 ( 1.324 0.000 0.961) 1.636 29.817 ( 2.318 0.000 -0.885) 2.481 31.922 ( -0.763 0.000 0.495) 0.909 31.937 ( 0.226 0.000 -0.675) 0.712 32.008 ( 2.037 0.000 0.858) 2.210 32.036 ( 7.246 0.000 5.157) 8.894 32.322 ( -0.160 0.000 -0.709) 0.727 32.326 ( -1.385 0.000 -0.041) 1.385 32.351 ( 0.694 0.000 -0.286) 0.751 32.358 ( 0.641 0.000 -0.281) 0.700 32.641 ( 2.480 0.000 -0.832) 2.616 32.727 ( 4.047 0.000 2.690) 4.859 32.918 ( -17.222 0.000 -12.792) 21.453 33.222 ( -3.592 0.000 -5.632) 6.680 33.258 ( -3.190 0.000 4.855) 5.809 33.660 ( 1.595 0.000 -11.692) 11.800 34.501 ( 5.213 0.000 -3.986) 6.563 34.759 ( 9.718 0.000 -6.793) 11.856 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 17.938 0.000 10.118) 20.595 1.153 ( 12.174 0.000 -13.175) 17.939 1.381 ( 8.390 0.000 -20.266) 21.934 1.387 ( -4.269 0.000 12.386) 13.101 1.498 ( -7.447 0.000 -1.478) 7.592 1.577 ( 5.349 0.000 11.562) 12.739 1.723 ( -6.556 0.000 10.466) 12.350 1.760 ( -10.369 0.000 -1.007) 10.418 1.834 ( 14.064 0.000 3.077) 14.396 2.044 ( -7.113 0.000 -6.289) 9.495 2.104 ( -1.362 0.000 -0.136) 1.369 2.198 ( 1.650 0.000 -1.518) 2.242 2.203 ( -5.506 0.000 -1.278) 5.652 2.341 ( -1.881 0.000 -0.920) 2.093 2.360 ( -1.551 0.000 -2.283) 2.760 2.376 ( -0.729 0.000 0.320) 0.796 2.523 ( -1.761 0.000 -6.501) 6.736 2.667 ( 6.971 0.000 7.990) 10.604 2.771 ( -6.929 0.000 -5.173) 8.647 2.787 ( 6.368 0.000 -1.118) 6.466 2.826 ( 1.085 0.000 -0.730) 1.308 2.887 ( -3.046 0.000 -7.600) 8.187 2.902 ( 1.409 0.000 5.988) 6.152 2.939 ( -3.157 0.000 -0.611) 3.215 3.048 ( 3.049 0.000 -1.067) 3.230 3.049 ( 4.549 0.000 6.561) 7.984 3.115 ( 4.278 0.000 4.546) 6.243 3.197 ( -0.790 0.000 -0.833) 1.149 3.247 ( -1.083 0.000 -4.743) 4.865 3.303 ( 1.789 0.000 9.383) 9.552 3.348 ( -0.333 0.000 3.432) 3.448 3.353 ( -2.998 0.000 -1.383) 3.301 3.407 ( -0.089 0.000 -4.705) 4.706 3.488 ( 7.797 0.000 -0.424) 7.808 3.538 ( 4.199 0.000 3.960) 5.772 3.576 ( 1.339 0.000 -4.539) 4.732 3.585 ( -1.249 0.000 -1.161) 1.706 3.662 ( -3.194 0.000 0.888) 3.315 3.712 ( -4.510 0.000 1.617) 4.791 3.812 ( -8.005 0.000 -2.178) 8.296 3.847 ( -12.537 0.000 0.567) 12.550 3.966 ( 1.446 0.000 3.035) 3.362 4.088 ( -5.256 0.000 -3.239) 6.174 4.174 ( -0.447 0.000 3.771) 3.797 4.284 ( 7.825 0.000 5.850) 9.770 4.415 ( 3.658 0.000 3.350) 4.960 4.471 ( 1.578 0.000 -8.530) 8.675 4.542 ( -9.462 0.000 4.735) 10.580 4.651 ( 0.430 0.000 2.867) 2.899 4.714 ( 2.009 0.000 1.264) 2.374 4.744 ( -1.368 0.000 -2.520) 2.867 4.753 ( -2.268 0.000 -3.286) 3.992 4.788 ( 3.596 0.000 -8.702) 9.416 4.834 ( -1.008 0.000 1.375) 1.705 5.007 ( 4.526 0.000 -3.715) 5.856 5.093 ( -2.345 0.000 1.860) 2.993 5.271 ( -1.441 0.000 2.091) 2.539 5.290 ( 3.017 0.000 -2.755) 4.086 5.379 ( -1.904 0.000 -2.472) 3.120 5.410 ( -4.251 0.000 2.623) 4.995 5.589 ( -3.405 0.000 7.595) 8.323 5.679 ( -2.804 0.000 -4.932) 5.673 5.732 ( 0.769 0.000 10.363) 10.392 5.797 ( 2.786 0.000 -8.049) 8.518 6.025 ( 1.971 0.000 -4.358) 4.783 6.080 ( 5.613 0.000 3.453) 6.590 6.208 ( -9.961 0.000 4.933) 11.116 6.350 ( -3.290 0.000 -4.641) 5.689 6.775 ( 13.718 0.000 -3.960) 14.278 6.792 ( 7.019 0.000 5.682) 9.031 7.041 ( 0.089 0.000 -0.333) 0.345 7.335 ( -7.541 0.000 -9.049) 11.779 9.046 ( 1.408 0.000 0.634) 1.544 9.108 ( -1.041 0.000 -2.320) 2.543 9.251 ( 2.938 0.000 3.509) 4.577 9.315 ( -1.411 0.000 0.530) 1.508 9.418 ( 4.016 0.000 0.508) 4.048 9.462 ( 1.734 0.000 -0.539) 1.815 9.539 ( -1.370 0.000 0.763) 1.568 9.551 ( 2.556 0.000 -1.693) 3.066 10.190 ( -0.033 0.000 2.536) 2.536 10.222 ( 2.439 0.000 -1.954) 3.125 10.290 ( -2.356 0.000 1.697) 2.903 10.345 ( -1.440 0.000 -1.868) 2.359 11.765 ( 0.370 0.000 1.277) 1.330 11.777 ( 0.395 0.000 -0.648) 0.760 11.875 ( -0.564 0.000 -0.663) 0.871 11.884 ( -1.086 0.000 -0.242) 1.113 13.295 ( 1.167 0.000 0.333) 1.213 13.359 ( -1.595 0.000 -0.611) 1.708 13.404 ( 2.473 0.000 -1.981) 3.168 13.438 ( -0.266 0.000 0.863) 0.903 14.543 ( 0.575 0.000 0.277) 0.638 14.582 ( -0.997 0.000 0.454) 1.096 14.667 ( 1.202 0.000 -1.568) 1.976 14.715 ( -1.281 0.000 1.048) 1.655 15.001 ( -0.409 0.000 1.302) 1.365 15.015 ( -0.499 0.000 -2.810) 2.854 15.031 ( -5.117 0.000 9.687) 10.955 15.057 ( -1.345 0.000 -3.709) 3.945 15.295 ( 1.385 0.000 5.161) 5.343 15.382 ( -0.336 0.000 -3.316) 3.333 15.656 ( -0.741 0.000 12.238) 12.260 15.866 ( -5.880 0.000 -8.522) 10.354 16.187 ( 0.309 0.000 0.598) 0.673 16.225 ( -1.713 0.000 0.434) 1.767 16.297 ( 0.776 0.000 0.203) 0.802 16.364 ( -3.276 0.000 0.928) 3.405 17.526 ( -1.056 0.000 2.272) 2.506 17.552 ( -0.362 0.000 -3.211) 3.232 17.674 ( -0.807 0.000 1.887) 2.052 17.686 ( -0.660 0.000 -2.014) 2.119 20.812 ( 5.192 0.000 -0.011) 5.192 20.883 ( 3.083 0.000 -2.150) 3.759 20.999 ( -1.615 0.000 1.691) 2.338 21.034 ( -1.507 0.000 -2.660) 3.057 25.145 ( -2.848 0.000 -3.718) 4.684 25.149 ( -7.779 0.000 6.255) 9.982 25.982 ( 11.145 0.000 27.158) 29.356 26.821 ( -18.910 0.000 -21.065) 28.308 28.328 ( -1.302 0.000 1.152) 1.738 28.331 ( -0.716 0.000 -1.009) 1.237 28.411 ( 0.241 0.000 2.647) 2.658 28.510 ( -3.286 0.000 -5.661) 6.546 29.632 ( 0.105 0.000 0.588) 0.597 29.659 ( -0.227 0.000 -1.426) 1.444 29.847 ( 1.415 0.000 1.414) 2.000 29.855 ( 1.973 0.000 -0.982) 2.204 31.916 ( -0.083 0.000 0.592) 0.598 31.936 ( -0.146 0.000 -0.976) 0.987 32.041 ( 1.310 0.000 0.577) 1.431 32.101 ( -1.830 0.000 0.495) 1.896 32.311 ( -0.127 0.000 1.373) 1.379 32.318 ( 0.181 0.000 -1.168) 1.181 32.359 ( 0.433 0.000 -0.125) 0.451 32.366 ( 0.208 0.000 0.012) 0.209 32.734 ( 4.528 0.000 -0.927) 4.622 32.816 ( 3.932 0.000 0.704) 3.995 32.941 ( 8.213 0.000 16.472) 18.406 33.096 ( -6.620 0.000 -3.206) 7.356 33.253 ( 1.345 0.000 9.863) 9.955 33.585 ( -0.358 0.000 -19.737) 19.740 34.603 ( 7.249 0.000 -4.228) 8.392 34.793 ( -2.007 0.000 -2.220) 2.993 ======================= Grid point 121 (54/70) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -5.059 0.000 -7.867) 9.354 1.149 ( 5.059 0.000 7.867) 9.354 1.355 ( 1.933 0.000 -13.605) 13.742 1.355 ( -1.933 0.000 13.605) 13.742 1.567 ( 11.998 0.000 -6.335) 13.567 1.567 ( -11.998 0.000 6.335) 13.567 1.749 ( 0.049 0.000 -12.297) 12.297 1.749 ( -0.049 0.000 12.297) 12.297 1.954 ( -10.014 0.000 -8.671) 13.246 1.954 ( 10.014 0.000 8.671) 13.246 2.133 ( -2.490 0.000 -0.589) 2.559 2.133 ( 2.490 0.000 0.589) 2.559 2.258 ( -8.525 0.000 -5.313) 10.045 2.258 ( 8.525 0.000 5.313) 10.045 2.378 ( 1.551 0.000 -1.917) 2.466 2.378 ( -1.551 0.000 1.917) 2.466 2.547 ( -9.159 0.000 -2.084) 9.393 2.547 ( 9.159 0.000 2.084) 9.393 2.759 ( -2.720 0.000 -5.062) 5.747 2.759 ( 2.720 0.000 5.062) 5.747 2.853 ( -4.102 0.000 -2.072) 4.596 2.853 ( 4.102 0.000 2.072) 4.596 2.912 ( 4.789 0.000 -3.929) 6.194 2.912 ( -4.789 0.000 3.929) 6.194 3.116 ( 2.444 0.000 -0.967) 2.629 3.116 ( -2.444 0.000 0.967) 2.629 3.197 ( -2.173 0.000 -5.121) 5.563 3.197 ( 2.173 0.000 5.121) 5.563 3.237 ( -6.195 0.000 -3.830) 7.283 3.237 ( 6.195 0.000 3.830) 7.283 3.346 ( 0.008 0.000 -1.335) 1.335 3.346 ( -0.008 0.000 1.335) 1.335 3.465 ( 9.626 0.000 -7.517) 12.213 3.465 ( -9.626 0.000 7.517) 12.213 3.579 ( 0.304 0.000 -3.301) 3.315 3.579 ( -0.304 0.000 3.301) 3.315 3.631 ( -4.486 0.000 0.804) 4.558 3.631 ( 4.486 0.000 -0.804) 4.558 3.675 ( -3.967 0.000 -2.839) 4.879 3.675 ( 3.967 0.000 2.839) 4.879 3.973 ( -18.581 0.000 -6.183) 19.582 3.973 ( 18.581 0.000 6.183) 19.582 4.015 ( -2.124 0.000 -2.734) 3.463 4.015 ( 2.124 0.000 2.734) 3.463 4.419 ( -2.178 0.000 -3.150) 3.830 4.419 ( 2.178 0.000 3.150) 3.830 4.469 ( 3.639 0.000 -7.119) 7.995 4.469 ( -3.639 0.000 7.119) 7.995 4.685 ( -2.843 0.000 -3.452) 4.472 4.685 ( 2.843 0.000 3.452) 4.472 4.721 ( 0.674 0.000 -3.058) 3.131 4.721 ( -0.674 0.000 3.058) 3.131 4.824 ( 1.664 0.000 -0.966) 1.924 4.824 ( -1.664 0.000 0.966) 1.924 5.062 ( 3.727 0.000 -6.321) 7.338 5.062 ( -3.727 0.000 6.321) 7.338 5.294 ( -0.964 0.000 -4.714) 4.812 5.294 ( 0.964 0.000 4.714) 4.812 5.362 ( 1.560 0.000 -2.089) 2.607 5.362 ( -1.560 0.000 2.089) 2.607 5.605 ( -0.664 0.000 -9.147) 9.171 5.605 ( 0.664 0.000 9.147) 9.171 5.784 ( 0.323 0.000 -8.471) 8.478 5.784 ( -0.323 0.000 8.471) 8.478 6.061 ( 4.871 0.000 -4.294) 6.494 6.061 ( -4.871 0.000 4.294) 6.494 6.241 ( -5.591 0.000 -4.714) 7.313 6.241 ( 5.591 0.000 4.714) 7.313 6.931 ( -2.983 0.000 -3.507) 4.604 6.931 ( 2.983 0.000 3.507) 4.604 7.088 ( -12.804 0.000 -1.704) 12.917 7.088 ( 12.804 0.000 1.704) 12.917 9.078 ( -1.108 0.000 -2.280) 2.535 9.078 ( 1.108 0.000 2.280) 2.535 9.293 ( -1.300 0.000 -0.059) 1.301 9.293 ( 1.300 0.000 0.059) 1.301 9.488 ( 0.746 0.000 -3.234) 3.319 9.488 ( -0.746 0.000 3.234) 3.319 9.533 ( -1.936 0.000 -1.919) 2.726 9.533 ( 1.936 0.000 1.919) 2.726 10.217 ( -1.572 0.000 -1.372) 2.087 10.217 ( 1.572 0.000 1.372) 2.087 10.301 ( -2.052 0.000 -1.827) 2.748 10.301 ( 2.052 0.000 1.827) 2.748 11.777 ( -0.127 0.000 -0.875) 0.884 11.777 ( 0.127 0.000 0.875) 0.884 11.869 ( 0.396 0.000 -0.479) 0.621 11.869 ( -0.396 0.000 0.479) 0.621 13.325 ( -1.613 0.000 -0.862) 1.829 13.325 ( 1.613 0.000 0.862) 1.829 13.430 ( 1.319 0.000 -1.533) 2.022 13.430 ( -1.319 0.000 1.533) 2.022 14.560 ( 1.329 0.000 -0.479) 1.412 14.560 ( -1.329 0.000 0.479) 1.412 14.691 ( 1.942 0.000 -1.697) 2.580 14.691 ( -1.942 0.000 1.697) 2.580 15.005 ( 0.905 0.000 -3.492) 3.607 15.005 ( -0.905 0.000 3.492) 3.607 15.019 ( 1.241 0.000 -7.688) 7.787 15.019 ( -1.241 0.000 7.688) 7.787 15.350 ( -1.487 0.000 -3.638) 3.930 15.350 ( 1.487 0.000 3.638) 3.930 15.733 ( -2.684 0.000 -11.668) 11.972 15.733 ( 2.684 0.000 11.668) 11.972 16.199 ( -1.000 0.000 -0.099) 1.005 16.199 ( 1.000 0.000 0.099) 1.005 16.319 ( -1.687 0.000 -0.182) 1.696 16.319 ( 1.687 0.000 0.182) 1.696 17.531 ( 0.013 0.000 -3.107) 3.107 17.531 ( -0.013 0.000 3.107) 3.107 17.672 ( 0.294 0.000 -1.977) 1.999 17.672 ( -0.294 0.000 1.977) 1.999 20.889 ( -2.164 0.000 -0.937) 2.359 20.889 ( 2.164 0.000 0.937) 2.359 20.996 ( -0.706 0.000 -2.458) 2.557 20.996 ( 0.706 0.000 2.458) 2.557 25.106 ( 0.555 0.000 -3.365) 3.410 25.106 ( -0.555 0.000 3.365) 3.410 26.362 ( -14.927 0.000 -30.719) 34.154 26.362 ( 14.927 0.000 30.719) 34.154 28.320 ( 0.187 0.000 -1.100) 1.116 28.320 ( -0.187 0.000 1.100) 1.116 28.441 ( -1.331 0.000 -4.452) 4.646 28.441 ( 1.331 0.000 4.452) 4.646 29.645 ( -0.472 0.000 -1.421) 1.498 29.645 ( 0.472 0.000 1.421) 1.498 29.868 ( 0.041 0.000 -1.314) 1.315 29.868 ( -0.041 0.000 1.314) 1.315 31.924 ( -0.435 0.000 -0.948) 1.043 31.924 ( 0.435 0.000 0.948) 1.043 32.067 ( -1.326 0.000 -0.737) 1.517 32.067 ( 1.326 0.000 0.737) 1.517 32.316 ( 0.281 0.000 -1.618) 1.642 32.316 ( -0.281 0.000 1.618) 1.642 32.365 ( 0.274 0.000 -0.102) 0.293 32.365 ( -0.274 0.000 0.102) 0.293 32.821 ( -3.788 0.000 -1.424) 4.047 32.821 ( 3.788 0.000 1.424) 4.047 33.022 ( 0.712 0.000 -3.383) 3.457 33.022 ( -0.712 0.000 3.383) 3.457 33.435 ( -4.359 0.000 -24.545) 24.929 33.435 ( 4.359 0.000 24.545) 24.929 34.711 ( 6.262 0.000 -2.387) 6.702 34.711 ( -6.262 0.000 2.387) 6.702 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( -15.634 7.855 -15.351) 23.276 0.924 ( 15.634 7.855 15.351) 23.276 1.177 ( 3.440 3.992 -15.828) 16.682 1.177 ( -3.440 3.992 15.828) 16.682 1.733 ( -1.498 6.046 -9.754) 11.573 1.733 ( 1.498 6.046 9.754) 11.573 1.845 ( -2.712 6.737 -8.650) 11.295 1.845 ( 2.712 6.737 8.650) 11.295 1.940 ( -1.712 0.663 -5.270) 5.581 1.940 ( 1.712 0.663 5.270) 5.581 2.152 ( -0.873 -0.739 -5.280) 5.403 2.152 ( 0.873 -0.739 5.280) 5.403 2.264 ( -0.646 5.637 -5.055) 7.599 2.264 ( 0.646 5.637 5.055) 7.599 2.470 ( 3.554 -3.093 -5.952) 7.591 2.470 ( -3.554 -3.093 5.952) 7.591 2.592 ( 2.435 1.536 -3.116) 4.242 2.592 ( -2.435 1.536 3.116) 4.242 2.738 ( -7.347 -3.198 -5.724) 9.848 2.738 ( 7.347 -3.198 5.724) 9.848 2.802 ( -3.108 -0.335 -6.324) 7.055 2.802 ( 3.108 -0.335 6.324) 7.055 2.935 ( -4.952 -3.528 -5.341) 8.093 2.935 ( 4.952 -3.528 5.341) 8.093 3.097 ( 1.217 0.580 -0.694) 1.516 3.097 ( -1.217 0.580 0.694) 1.516 3.175 ( -2.590 -0.726 -5.147) 5.808 3.175 ( 2.590 -0.726 5.147) 5.808 3.276 ( -4.916 3.286 -2.399) 6.381 3.276 ( 4.916 3.286 2.399) 6.381 3.312 ( -3.096 2.685 -1.278) 4.292 3.312 ( 3.096 2.685 1.278) 4.292 3.498 ( -7.950 -1.754 -2.863) 8.630 3.498 ( 7.950 -1.754 2.863) 8.630 3.530 ( -1.909 8.504 -0.400) 8.725 3.530 ( 1.909 8.504 0.400) 8.725 3.673 ( -3.960 2.833 -4.597) 6.696 3.673 ( 3.960 2.833 4.597) 6.696 3.818 ( -4.976 -0.091 -1.195) 5.118 3.818 ( 4.976 -0.091 1.195) 5.118 4.004 ( -0.254 2.432 -1.898) 3.095 4.004 ( 0.254 2.432 1.898) 3.095 4.150 ( -2.449 -0.302 -6.308) 6.773 4.150 ( 2.449 -0.302 6.308) 6.773 4.334 ( -2.972 -0.571 -3.288) 4.469 4.334 ( 2.972 -0.571 3.288) 4.469 4.408 ( 1.675 -4.111 -5.587) 7.136 4.408 ( -1.675 -4.111 5.587) 7.136 4.742 ( -4.494 -0.711 -3.023) 5.462 4.742 ( 4.494 -0.711 3.023) 5.462 4.768 ( -2.036 1.508 -2.785) 3.765 4.768 ( 2.036 1.508 2.785) 3.765 4.905 ( -0.366 4.151 -4.127) 5.865 4.905 ( 0.366 4.151 4.127) 5.865 5.069 ( -4.330 1.262 -1.222) 4.673 5.069 ( 4.330 1.262 1.222) 4.673 5.429 ( -3.084 1.788 -4.960) 6.108 5.429 ( 3.084 1.788 4.960) 6.108 5.520 ( -1.270 6.291 -3.361) 7.244 5.520 ( 1.270 6.291 3.361) 7.244 5.685 ( -3.035 1.571 -1.342) 3.672 5.685 ( 3.035 1.571 1.342) 3.672 5.799 ( 0.771 8.636 -5.358) 10.193 5.799 ( -0.771 8.636 5.358) 10.193 6.001 ( -0.855 3.970 -1.814) 4.447 6.001 ( 0.855 3.970 1.814) 4.447 6.384 ( -0.741 -4.296 -2.932) 5.254 6.384 ( 0.741 -4.296 2.932) 5.254 6.571 ( 0.743 -8.554 -4.254) 9.582 6.571 ( -0.743 -8.554 4.254) 9.582 6.946 ( -6.394 -11.026 0.439) 12.753 6.946 ( 6.394 -11.026 -0.439) 12.753 9.047 ( -1.520 -0.905 -3.528) 3.947 9.047 ( 1.520 -0.905 3.528) 3.947 9.226 ( -3.829 -2.721 0.075) 4.698 9.226 ( 3.829 -2.721 -0.075) 4.698 9.386 ( -0.046 1.146 -3.164) 3.365 9.386 ( 0.046 1.146 3.164) 3.365 9.514 ( 1.097 -0.482 -1.642) 2.033 9.514 ( -1.097 -0.482 1.642) 2.033 10.196 ( 0.805 -0.006 -3.264) 3.362 10.196 ( -0.805 -0.006 3.264) 3.362 10.398 ( 2.866 2.791 -2.730) 4.843 10.398 ( -2.866 2.791 2.730) 4.843 11.782 ( 2.501 1.628 -1.048) 3.163 11.782 ( -2.501 1.628 1.048) 3.163 11.909 ( 1.660 0.600 -1.676) 2.434 11.909 ( -1.660 0.600 1.676) 2.434 13.308 ( -1.531 -0.072 -0.935) 1.795 13.308 ( 1.531 -0.072 0.935) 1.795 13.410 ( -0.764 -0.521 -0.354) 0.990 13.410 ( 0.764 -0.521 0.354) 0.990 14.567 ( 2.098 1.383 -1.519) 2.936 14.567 ( -2.098 1.383 1.519) 2.936 14.698 ( 1.915 -0.960 -0.954) 2.345 14.698 ( -1.915 -0.960 0.954) 2.345 15.046 ( 0.166 -0.774 -1.146) 1.392 15.046 ( -0.166 -0.774 1.146) 1.392 15.061 ( -1.001 -0.576 -0.579) 1.292 15.061 ( 1.001 -0.576 0.579) 1.292 15.383 ( 1.414 -4.470 -3.316) 5.743 15.383 ( -1.414 -4.470 3.316) 5.743 15.768 ( 7.103 -11.263 -7.819) 15.442 15.768 ( -7.103 -11.263 7.819) 15.442 16.242 ( -2.752 4.553 -1.459) 5.517 16.242 ( 2.752 4.553 1.459) 5.517 16.307 ( -2.443 1.383 -0.387) 2.833 16.307 ( 2.443 1.383 0.387) 2.833 17.569 ( 1.154 0.239 -1.471) 1.885 17.569 ( -1.154 0.239 1.471) 1.885 17.680 ( 0.854 -1.121 -1.009) 1.733 17.680 ( -0.854 -1.121 1.009) 1.733 20.750 ( 2.519 0.623 -1.962) 3.253 20.750 ( -2.519 0.623 1.962) 3.253 21.023 ( 1.369 -2.603 -1.450) 3.279 21.023 ( -1.369 -2.603 1.450) 3.279 25.374 ( -6.800 -3.877 -10.688) 13.248 25.374 ( 6.800 -3.877 10.688) 13.248 25.902 ( -29.562 -22.216 2.823) 37.087 25.902 ( 29.562 -22.216 -2.823) 37.087 28.363 ( 0.098 -0.424 -1.021) 1.110 28.363 ( -0.098 -0.424 1.021) 1.110 28.404 ( 0.999 -1.522 -0.661) 1.936 28.404 ( -0.999 -1.522 0.661) 1.936 29.664 ( -1.461 -0.571 -0.794) 1.759 29.664 ( 1.461 -0.571 0.794) 1.759 29.803 ( -0.834 0.448 -0.950) 1.342 29.803 ( 0.834 0.448 0.950) 1.342 31.972 ( 0.551 1.851 -1.898) 2.708 31.972 ( -0.551 1.851 1.898) 2.708 32.040 ( -3.122 6.180 -1.774) 7.147 32.040 ( 3.122 6.180 1.774) 7.147 32.349 ( -1.240 1.866 -1.206) 2.544 32.349 ( 1.240 1.866 1.206) 2.544 32.487 ( -3.806 10.195 -4.011) 11.598 32.487 ( 3.806 10.195 4.011) 11.598 32.718 ( -0.555 5.771 -1.880) 6.095 32.718 ( 0.555 5.771 1.880) 6.095 33.244 ( 1.186 -2.320 -5.672) 6.242 33.244 ( -1.186 -2.320 5.672) 6.242 33.570 ( -17.248 6.437 3.301) 18.703 33.570 ( 17.248 6.437 -3.301) 18.703 34.472 ( -3.392 -5.924 -2.502) 7.271 34.472 ( 3.392 -5.924 2.502) 7.271 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 8.713 18.142 -2.717) 20.308 1.061 ( 6.951 5.479 -15.897) 18.195 1.283 ( 2.639 1.818 12.617) 13.018 1.402 ( 12.994 3.097 14.693) 19.858 1.586 ( -4.014 4.133 -6.711) 8.845 1.732 ( -6.655 5.387 -1.380) 8.672 1.762 ( 0.362 5.051 -6.856) 8.523 1.810 ( -8.367 -1.036 1.083) 8.500 1.988 ( -0.430 6.055 -3.341) 6.930 2.063 ( 5.896 -2.802 3.698) 7.502 2.105 ( -2.131 -2.157 -4.024) 5.038 2.176 ( -0.735 7.414 7.501) 10.572 2.287 ( 2.086 3.000 -2.310) 4.323 2.365 ( 8.160 2.031 7.646) 11.365 2.418 ( -3.886 1.206 2.499) 4.775 2.447 ( -2.222 -1.666 -2.578) 3.789 2.485 ( -5.633 0.705 -6.406) 8.559 2.588 ( -1.235 -0.964 -3.098) 3.472 2.628 ( 3.198 -3.080 -1.340) 4.638 2.790 ( 0.744 5.277 5.219) 7.459 2.814 ( -1.552 -6.665 -1.215) 6.950 2.893 ( 3.584 -1.501 1.066) 4.029 2.920 ( 3.050 1.460 7.471) 8.201 2.992 ( -1.397 -1.764 0.819) 2.395 3.039 ( -6.041 4.000 -6.449) 9.699 3.048 ( -5.210 0.410 3.052) 6.052 3.097 ( 0.871 -1.631 -1.101) 2.152 3.164 ( -3.540 -1.722 -1.128) 4.095 3.202 ( -0.640 -1.503 2.707) 3.162 3.293 ( 2.187 2.659 0.248) 3.452 3.349 ( 2.012 3.630 1.570) 4.437 3.393 ( 4.073 4.046 -0.593) 5.772 3.414 ( -1.647 -2.448 -2.580) 3.920 3.504 ( -2.046 6.475 2.495) 7.234 3.530 ( -1.719 3.890 0.165) 4.256 3.626 ( 0.242 4.369 -0.092) 4.377 3.637 ( 0.890 4.202 -2.184) 4.819 3.716 ( -0.341 -3.475 -1.835) 3.944 3.801 ( 3.455 1.651 4.843) 6.174 3.874 ( 0.134 1.121 3.158) 3.354 3.974 ( -1.946 3.407 -4.018) 5.616 4.052 ( -1.481 2.213 -1.871) 3.255 4.114 ( 4.117 -0.241 2.502) 4.824 4.200 ( 0.223 0.892 -0.890) 1.279 4.247 ( -4.254 -0.383 -3.775) 5.701 4.364 ( -0.904 1.284 3.155) 3.524 4.431 ( 2.281 -4.731 -5.397) 7.531 4.474 ( 6.140 -2.829 7.398) 10.022 4.641 ( -4.556 -2.165 1.341) 5.220 4.699 ( -2.710 1.722 -3.026) 4.412 4.785 ( -0.656 -0.127 -0.783) 1.029 4.813 ( -0.637 0.784 1.051) 1.458 4.858 ( 0.762 5.937 -4.247) 7.339 4.894 ( -2.340 4.009 3.245) 5.664 4.982 ( -2.926 -2.184 -1.925) 4.128 5.119 ( -0.270 -0.371 -0.246) 0.520 5.296 ( -7.563 6.320 3.412) 10.430 5.449 ( -3.188 1.034 1.694) 3.755 5.471 ( -6.485 0.904 -2.169) 6.898 5.528 ( 0.665 6.424 -1.354) 6.599 5.601 ( -5.993 -0.491 -1.786) 6.272 5.660 ( 0.323 0.884 1.668) 1.915 5.808 ( -1.292 5.671 2.284) 6.249 5.831 ( 2.991 9.064 -0.061) 9.545 6.015 ( 3.884 4.523 0.054) 5.962 6.045 ( 1.751 3.207 -0.833) 3.747 6.296 ( -9.720 -9.499 3.261) 13.976 6.378 ( -1.606 -3.557 -1.315) 4.118 6.546 ( 6.989 -4.413 -3.710) 9.060 6.635 ( 4.428 -4.062 1.878) 6.296 6.928 ( 5.174 -5.493 -0.012) 7.546 7.196 ( 12.328 -14.860 -10.230) 21.851 9.024 ( 0.480 -0.522 -1.580) 1.732 9.102 ( 1.311 -1.901 3.352) 4.071 9.177 ( 0.168 -0.594 0.537) 0.818 9.296 ( 1.987 -3.307 -1.806) 4.259 9.385 ( 1.862 -0.201 -3.069) 3.595 9.424 ( 2.629 1.358 2.622) 3.953 9.485 ( -0.146 -0.505 1.035) 1.160 9.547 ( 0.966 -0.115 0.024) 0.973 10.195 ( -0.811 0.135 2.308) 2.450 10.200 ( 1.491 0.769 -1.927) 2.555 10.348 ( -3.705 1.781 2.795) 4.971 10.415 ( 0.279 3.420 -2.498) 4.245 11.749 ( -1.189 0.137 -0.022) 1.197 11.818 ( 1.477 3.298 -0.358) 3.632 11.871 ( -2.304 -1.031 0.776) 2.641 11.928 ( 0.507 1.614 -0.960) 1.945 13.284 ( -0.334 -0.125 -0.821) 0.895 13.348 ( 2.102 -0.841 -0.055) 2.264 13.382 ( -1.328 -0.748 -0.368) 1.568 13.430 ( 0.785 -0.347 -0.369) 0.934 14.546 ( -0.885 0.788 1.026) 1.567 14.600 ( 1.583 1.980 -0.827) 2.667 14.662 ( -1.517 -1.122 0.701) 2.013 14.726 ( 1.061 0.094 -0.399) 1.137 15.013 ( -1.254 -0.219 -1.308) 1.825 15.025 ( -0.716 -0.879 -1.728) 2.066 15.072 ( 0.615 -0.821 -1.154) 1.544 15.111 ( 1.301 1.026 2.549) 3.040 15.239 ( -10.900 -5.266 10.857) 16.261 15.404 ( -1.129 -1.723 -2.392) 3.157 15.612 ( -5.071 -3.791 9.941) 11.786 15.905 ( 1.548 -11.748 -4.798) 12.784 16.165 ( -1.677 2.334 0.046) 2.874 16.250 ( -1.251 1.393 0.040) 1.873 16.296 ( 0.045 1.404 -0.157) 1.413 16.385 ( 1.523 0.038 1.963) 2.485 17.546 ( -1.733 0.199 1.345) 2.203 17.573 ( 0.035 0.313 -2.035) 2.060 17.670 ( -0.698 -0.947 1.298) 1.752 17.689 ( 0.161 -1.359 -1.369) 1.936 20.726 ( 1.285 -0.365 0.094) 1.339 20.826 ( 4.790 0.409 -2.700) 5.513 20.999 ( -1.599 -2.304 1.064) 3.000 21.037 ( 0.696 -2.048 -1.901) 2.879 25.221 ( -5.391 -2.587 -5.348) 8.022 25.339 ( -19.861 -4.504 8.773) 22.174 25.618 ( 7.064 -6.551 18.187) 20.581 26.484 ( 19.354 -39.981 -7.546) 45.055 28.347 ( -1.300 -0.367 -0.011) 1.351 28.350 ( -1.217 -0.287 0.068) 1.252 28.396 ( -0.052 -0.439 1.225) 1.303 28.448 ( 2.394 -4.944 -1.226) 5.628 29.638 ( -0.782 -0.222 -0.351) 0.885 29.682 ( -0.099 0.127 0.003) 0.161 29.802 ( 1.483 -0.248 -0.321) 1.538 29.839 ( 2.092 0.721 0.213) 2.223 31.911 ( -3.023 2.083 -1.095) 3.831 31.948 ( -2.246 1.175 0.959) 2.710 32.054 ( 2.954 5.183 -0.655) 6.002 32.127 ( 3.788 3.779 0.408) 5.366 32.334 ( 0.023 1.445 -0.575) 1.555 32.382 ( 1.183 3.716 1.040) 4.036 32.434 ( -0.897 7.159 -1.080) 7.296 32.637 ( 7.209 4.307 4.136) 9.361 32.750 ( 3.157 12.241 9.080) 15.565 32.774 ( 5.236 7.693 5.831) 10.982 32.989 ( -26.522 11.795 -8.171) 30.155 33.207 ( -4.141 -1.622 -3.337) 5.560 33.264 ( -4.893 3.215 4.517) 7.395 33.679 ( 1.733 2.150 -11.869) 12.186 34.442 ( 4.678 -5.566 -2.419) 7.662 34.671 ( 9.454 -7.952 -6.014) 13.740 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 12.979 10.026 9.219) 18.814 1.157 ( 10.908 2.396 -10.161) 15.099 1.338 ( -1.047 -1.778 3.433) 4.006 1.459 ( -10.844 -1.835 0.022) 10.998 1.553 ( 0.473 7.892 -11.324) 13.811 1.669 ( 0.060 3.642 11.839) 12.387 1.754 ( 7.029 4.879 8.512) 12.069 1.824 ( 0.692 4.490 4.349) 6.289 1.908 ( 4.839 9.456 -9.794) 14.449 1.984 ( -5.373 -3.381 -5.616) 8.476 2.151 ( -0.967 -1.344 1.988) 2.587 2.179 ( -1.901 3.644 5.172) 6.606 2.243 ( -3.186 3.664 -5.380) 7.247 2.319 ( -2.459 -1.236 -2.282) 3.576 2.388 ( 0.708 2.137 -0.012) 2.252 2.406 ( -1.052 2.045 0.493) 2.352 2.516 ( 0.632 0.297 -1.850) 1.977 2.693 ( 3.871 1.408 2.023) 4.589 2.697 ( 2.735 -4.383 -0.920) 5.247 2.788 ( -0.885 -5.067 1.109) 5.261 2.835 ( 3.311 1.247 1.517) 3.850 2.865 ( -5.230 2.610 -3.112) 6.622 2.875 ( -4.333 -2.516 -3.923) 6.364 2.942 ( -1.530 -0.083 -5.533) 5.741 3.034 ( 0.900 0.649 0.068) 1.111 3.050 ( 0.992 -0.671 0.641) 1.358 3.140 ( 3.798 1.303 7.510) 8.516 3.164 ( 3.105 1.769 4.473) 5.725 3.223 ( 0.077 -2.063 1.651) 2.644 3.328 ( -3.721 -2.453 -0.493) 4.483 3.350 ( 1.556 2.275 -0.177) 2.762 3.387 ( -0.178 3.036 2.074) 3.681 3.430 ( 3.004 3.123 -1.789) 4.688 3.516 ( 2.407 3.732 0.085) 4.442 3.545 ( -0.525 0.023 -4.090) 4.123 3.575 ( 4.161 2.083 -0.163) 4.656 3.662 ( 2.010 5.456 -1.331) 5.965 3.701 ( -2.610 4.097 0.880) 4.937 3.788 ( -6.174 3.265 4.498) 8.308 3.815 ( -5.520 0.914 -2.031) 5.952 3.880 ( -6.118 5.026 -2.289) 8.242 4.012 ( -0.961 2.713 3.242) 4.335 4.145 ( -4.072 4.306 1.477) 6.108 4.174 ( 0.584 0.670 1.054) 1.379 4.270 ( 6.495 -1.361 3.437) 7.473 4.377 ( 1.691 -5.035 -5.866) 7.913 4.453 ( -4.056 -0.502 2.104) 4.596 4.496 ( -4.342 -1.036 3.480) 5.660 4.659 ( -0.947 0.492 -0.399) 1.140 4.684 ( 7.075 -3.185 0.769) 7.797 4.751 ( -1.170 0.292 -1.489) 1.916 4.765 ( -2.709 -0.077 -0.793) 2.824 4.854 ( 1.730 6.103 -7.568) 9.875 4.883 ( -1.251 4.446 4.040) 6.136 4.982 ( 3.222 -1.878 -5.860) 6.946 5.075 ( -3.300 -1.382 0.914) 3.692 5.229 ( -1.432 0.034 5.461) 5.646 5.336 ( -4.712 -1.615 -4.161) 6.491 5.417 ( -1.194 3.674 2.249) 4.470 5.483 ( -1.655 7.592 -3.601) 8.565 5.582 ( -1.106 -3.886 5.956) 7.197 5.666 ( -0.241 -0.974 -3.616) 3.753 5.772 ( -2.068 2.955 3.922) 5.329 5.854 ( -0.987 6.516 0.235) 6.594 6.051 ( 0.009 2.490 0.355) 2.516 6.101 ( 1.884 0.931 0.353) 2.131 6.156 ( -3.349 -3.100 2.022) 4.992 6.322 ( -3.216 -2.993 -3.732) 5.765 6.711 ( 11.368 -4.801 -1.442) 12.425 6.777 ( 8.802 -2.370 2.447) 9.438 6.996 ( 0.539 -4.259 0.532) 4.326 7.212 ( -4.971 -11.193 -7.030) 14.121 9.042 ( 1.519 -0.449 0.282) 1.609 9.101 ( -0.781 -0.840 -1.493) 1.882 9.234 ( 2.502 -1.634 3.733) 4.782 9.292 ( -0.550 -2.181 -1.267) 2.582 9.409 ( 2.674 -0.474 -0.955) 2.879 9.488 ( 2.655 1.727 1.018) 3.326 9.509 ( 0.762 -2.078 -1.023) 2.438 9.558 ( 0.364 0.309 0.877) 0.998 10.197 ( 0.244 0.572 1.435) 1.564 10.228 ( 1.523 0.653 -0.803) 1.841 10.306 ( -1.623 1.892 2.627) 3.622 10.387 ( -1.761 3.447 -2.449) 4.580 11.743 ( 0.782 -0.860 -0.872) 1.453 11.806 ( -2.935 0.680 2.309) 3.795 11.867 ( 1.810 1.163 -1.543) 2.648 11.920 ( -0.907 2.275 -0.265) 2.464 13.288 ( 0.927 -0.702 -0.006) 1.162 13.345 ( -1.634 -1.363 -0.236) 2.140 13.392 ( 1.976 -0.885 -0.737) 2.287 13.433 ( -0.229 -0.566 -0.249) 0.659 14.546 ( 0.475 0.450 0.320) 0.728 14.592 ( -1.872 0.792 1.112) 2.317 14.675 ( 2.441 1.093 -1.270) 2.960 14.732 ( -0.292 1.379 -0.189) 1.423 14.991 ( -1.525 -0.382 2.150) 2.663 15.005 ( -0.513 -1.051 -2.103) 2.406 15.056 ( -1.256 1.036 -1.053) 1.939 15.078 ( -3.770 2.846 5.280) 7.085 15.234 ( 2.759 -4.879 4.746) 7.345 15.361 ( -1.624 -2.323 -3.215) 4.286 15.628 ( 0.024 -2.865 10.319) 10.710 15.822 ( -4.406 -5.456 -9.138) 11.519 16.175 ( 1.210 -0.981 0.835) 1.767 16.223 ( -1.389 0.611 -0.264) 1.540 16.299 ( 0.573 1.199 -0.310) 1.365 16.367 ( -2.895 0.024 0.727) 2.985 17.528 ( -0.984 0.199 1.977) 2.218 17.555 ( -0.568 0.265 -2.754) 2.824 17.665 ( -0.688 -0.857 1.750) 2.067 17.676 ( -0.437 -0.911 -1.746) 2.018 20.783 ( 4.243 -2.256 -0.013) 4.805 20.880 ( 1.657 -0.854 -1.595) 2.454 20.981 ( -0.555 -1.363 1.036) 1.800 21.029 ( -0.502 -0.461 -1.918) 2.036 25.124 ( -3.825 -1.634 0.733) 4.223 25.146 ( -5.522 -0.717 1.449) 5.754 25.883 ( 9.411 -9.618 24.050) 27.558 26.484 ( -6.237 -28.810 -22.646) 37.172 28.325 ( -1.063 -0.221 0.547) 1.215 28.329 ( -0.853 -0.206 -0.489) 1.005 28.404 ( 0.133 -0.673 1.888) 2.009 28.451 ( -0.497 -3.932 -3.176) 5.079 29.636 ( 0.420 0.425 0.605) 0.851 29.669 ( -0.639 0.659 -1.025) 1.376 29.840 ( 2.158 -0.414 0.226) 2.209 29.869 ( 0.944 0.509 -0.001) 1.073 31.879 ( -0.131 -0.357 -0.612) 0.721 31.916 ( -1.881 0.155 0.954) 2.115 32.105 ( 2.590 5.606 0.177) 6.178 32.163 ( 0.671 3.646 -1.511) 4.003 32.342 ( 1.071 2.309 0.004) 2.546 32.393 ( -0.316 4.350 0.513) 4.391 32.430 ( 0.579 6.374 -0.792) 6.449 32.577 ( -12.001 14.862 -4.379) 19.599 32.734 ( 5.025 0.321 -0.189) 5.039 32.844 ( 3.027 2.336 1.462) 4.094 32.996 ( 3.033 4.740 14.098) 15.180 33.078 ( -6.970 -1.663 -2.876) 7.721 33.290 ( 3.565 6.204 17.521) 18.926 33.617 ( 0.538 3.491 -19.371) 19.690 34.542 ( 6.793 -5.831 -2.809) 9.383 34.717 ( -1.024 -7.193 -2.688) 7.747 ======================= Grid point 129 (58/70) ======================= q-point: ( 0.50 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -3.289 4.571 -5.220) 7.678 1.201 ( 3.289 4.571 5.220) 7.678 1.315 ( 2.393 -2.495 -10.419) 10.978 1.315 ( -2.393 -2.495 10.419) 10.978 1.668 ( 10.149 6.614 -5.159) 13.166 1.668 ( -10.149 6.614 5.159) 13.166 1.771 ( -4.396 2.481 -13.875) 14.765 1.771 ( 4.396 2.481 13.875) 14.765 2.016 ( -9.731 3.001 -8.700) 13.394 2.016 ( 9.731 3.001 8.700) 13.394 2.163 ( 1.589 4.548 -4.116) 6.337 2.163 ( -1.589 4.548 4.116) 6.337 2.232 ( -6.783 -1.186 -5.202) 8.630 2.232 ( 6.783 -1.186 5.202) 8.630 2.419 ( 1.393 3.203 -3.349) 4.839 2.419 ( -1.393 3.203 3.349) 4.839 2.569 ( -8.559 2.872 -3.790) 9.791 2.569 ( 8.559 2.872 3.790) 9.791 2.737 ( -0.664 -2.571 -5.777) 6.358 2.737 ( 0.664 -2.571 5.777) 6.358 2.826 ( 0.150 -3.763 -6.538) 7.545 2.826 ( -0.150 -3.763 6.538) 7.545 2.911 ( 0.080 2.247 -1.849) 2.911 2.911 ( -0.080 2.247 1.849) 2.911 3.052 ( 0.663 -2.911 -4.239) 5.185 3.052 ( -0.663 -2.911 4.239) 5.185 3.206 ( -0.954 -0.272 -1.881) 2.127 3.206 ( 0.954 -0.272 1.881) 2.127 3.228 ( -2.372 -0.235 -3.315) 4.083 3.228 ( 2.372 -0.235 3.315) 4.083 3.367 ( -1.056 1.396 -0.987) 2.009 3.367 ( 1.056 1.396 0.987) 2.009 3.501 ( 3.637 2.454 -4.149) 6.039 3.501 ( -3.637 2.454 4.149) 6.039 3.581 ( -3.086 2.034 0.365) 3.714 3.581 ( 3.086 2.034 -0.365) 3.714 3.665 ( -1.766 4.318 -2.014) 5.081 3.665 ( 1.766 4.318 2.014) 5.081 3.768 ( -2.477 6.068 -4.377) 7.881 3.768 ( 2.477 6.068 4.377) 7.881 3.985 ( -15.682 1.474 -4.611) 16.412 3.985 ( 15.682 1.474 4.611) 16.412 4.082 ( -3.102 5.347 -2.516) 6.674 4.082 ( 3.102 5.347 2.516) 6.674 4.348 ( 0.960 -6.536 -8.645) 10.880 4.348 ( -0.960 -6.536 8.645) 10.880 4.442 ( -5.609 -0.948 -2.579) 6.245 4.442 ( 5.609 -0.948 2.579) 6.245 4.693 ( -2.741 0.871 -3.355) 4.419 4.693 ( 2.741 0.871 3.355) 4.419 4.756 ( 0.842 0.872 -3.233) 3.453 4.756 ( -0.842 0.872 3.233) 3.453 4.867 ( 3.088 5.077 -5.430) 8.050 4.867 ( -3.088 5.077 5.430) 8.050 5.020 ( 4.287 -2.691 -5.490) 7.467 5.020 ( -4.287 -2.691 5.490) 7.467 5.262 ( -1.256 -2.653 -4.496) 5.370 5.262 ( 1.256 -2.653 4.496) 5.370 5.437 ( -1.735 5.434 -2.241) 6.128 5.437 ( 1.735 5.434 2.241) 6.128 5.609 ( -0.100 -1.429 -9.244) 9.354 5.609 ( 0.100 -1.429 9.244) 9.354 5.809 ( -1.256 2.343 -5.736) 6.322 5.809 ( 1.256 2.343 5.736) 6.322 6.062 ( 0.844 0.602 -1.436) 1.771 6.062 ( -0.844 0.602 1.436) 1.771 6.230 ( -4.773 -0.789 -2.867) 5.623 6.230 ( 4.773 -0.789 2.867) 5.623 6.883 ( -3.046 -4.676 -2.632) 6.170 6.883 ( 3.046 -4.676 2.632) 6.170 7.026 ( -8.166 -5.489 -2.346) 10.115 7.026 ( 8.166 -5.489 2.346) 10.115 9.074 ( -1.002 -0.453 -1.979) 2.264 9.074 ( 1.002 -0.453 1.979) 2.264 9.274 ( -0.328 -1.918 -2.233) 2.962 9.274 ( 0.328 -1.918 2.233) 2.962 9.470 ( -2.878 -1.269 -1.472) 3.472 9.470 ( 2.878 -1.269 1.472) 3.472 9.546 ( -1.229 0.869 -1.954) 2.467 9.546 ( 1.229 0.869 1.954) 2.467 10.219 ( -0.720 0.278 -1.085) 1.332 10.219 ( 0.720 0.278 1.085) 1.332 10.334 ( -2.202 3.027 -2.547) 4.528 10.334 ( 2.202 3.027 2.547) 4.528 11.766 ( 1.827 -0.856 -1.722) 2.652 11.766 ( -1.827 -0.856 1.722) 2.652 11.896 ( 0.054 2.326 -0.258) 2.341 11.896 ( -0.054 2.326 0.258) 2.341 13.313 ( -1.511 -1.175 -0.483) 1.974 13.313 ( 1.511 -1.175 0.483) 1.974 13.420 ( 0.389 -0.890 -1.850) 2.090 13.420 ( -0.389 -0.890 1.850) 2.090 14.564 ( -0.082 0.483 -0.262) 0.555 14.564 ( 0.082 0.483 0.262) 0.555 14.712 ( -1.299 1.881 0.321) 2.308 14.712 ( 1.299 1.881 -0.321) 2.308 14.987 ( 0.612 -0.763 -4.204) 4.316 14.987 ( -0.612 -0.763 4.204) 4.316 15.051 ( 1.873 2.193 -6.812) 7.397 15.051 ( -1.873 2.193 6.812) 7.397 15.308 ( -2.356 -3.776 -3.790) 5.845 15.308 ( 2.356 -3.776 3.790) 5.845 15.704 ( -1.342 -3.213 -12.665) 13.135 15.704 ( 1.342 -3.213 12.665) 13.135 16.199 ( -1.072 -0.081 -0.602) 1.232 16.199 ( 1.072 -0.081 0.602) 1.232 16.321 ( -1.970 0.504 0.293) 2.055 16.321 ( 1.970 0.504 -0.293) 2.055 17.533 ( -0.142 0.203 -2.687) 2.698 17.533 ( 0.142 0.203 2.687) 2.698 17.664 ( 0.233 -0.748 -1.782) 1.947 17.664 ( -0.233 -0.748 1.782) 1.947 20.856 ( -2.935 -2.857 -0.706) 4.156 20.856 ( 2.935 -2.857 0.706) 4.156 21.001 ( -0.860 0.283 -2.121) 2.306 21.001 ( 0.860 0.283 2.121) 2.306 25.098 ( 0.540 -0.744 -3.198) 3.328 25.098 ( -0.540 -0.744 3.198) 3.328 26.190 ( -9.616 -15.990 -27.773) 33.459 26.190 ( 9.616 -15.990 27.773) 33.459 28.318 ( 0.148 -0.178 -0.849) 0.880 28.318 ( -0.148 -0.178 0.849) 0.880 28.422 ( -0.620 -1.594 -2.855) 3.328 28.422 ( 0.620 -1.594 2.855) 3.328 29.652 ( -0.669 0.597 -1.136) 1.447 29.652 ( 0.669 0.597 1.136) 1.447 29.870 ( -0.097 -0.058 -1.004) 1.011 29.870 ( 0.097 -0.058 1.004) 1.011 31.890 ( 0.631 -0.795 -0.373) 1.081 31.890 ( -0.631 -0.795 0.373) 1.081 32.147 ( -1.382 5.397 -1.286) 5.718 32.147 ( 1.382 5.397 1.286) 5.718 32.373 ( -1.736 3.729 -0.566) 4.153 32.373 ( 1.736 3.729 0.566) 4.153 32.448 ( -2.311 8.384 -0.109) 8.697 32.448 ( 2.311 8.384 0.109) 8.697 32.837 ( -4.716 1.384 -1.370) 5.103 32.837 ( 4.716 1.384 1.370) 5.103 33.007 ( 1.651 -1.506 -2.229) 3.157 33.007 ( -1.651 -1.506 2.229) 3.157 33.489 ( -2.831 5.856 -25.207) 26.033 33.489 ( 2.831 5.856 25.207) 26.033 34.646 ( -1.032 -6.190 -1.923) 6.563 34.646 ( 1.032 -6.190 1.923) 6.563 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( -6.343 15.561 -6.601) 18.054 1.161 ( 6.343 15.561 6.601) 18.054 1.290 ( -0.318 7.549 -7.825) 10.877 1.290 ( 0.318 7.549 7.825) 10.877 1.747 ( -6.059 -1.066 -1.703) 6.383 1.747 ( 6.059 -1.066 1.703) 6.383 1.860 ( -1.059 -1.174 -3.712) 4.035 1.860 ( 1.059 -1.174 3.712) 4.035 2.059 ( -4.653 2.636 -8.957) 10.432 2.059 ( 4.653 2.636 8.957) 10.432 2.189 ( -1.602 3.928 -7.307) 8.449 2.189 ( 1.602 3.928 7.307) 8.449 2.376 ( 1.185 -1.628 -2.706) 3.373 2.376 ( -1.185 -1.628 2.706) 3.373 2.468 ( 0.326 7.783 -5.453) 9.509 2.468 ( -0.326 7.783 5.453) 9.509 2.623 ( -8.684 -4.258 -5.969) 11.365 2.623 ( 8.684 -4.258 5.969) 11.365 2.691 ( 0.830 5.319 -6.363) 8.334 2.691 ( -0.830 5.319 6.363) 8.334 2.828 ( -6.491 3.613 -5.784) 9.415 2.828 ( 6.491 3.613 5.784) 9.415 2.915 ( 3.664 0.963 -2.378) 4.473 2.915 ( -3.664 0.963 2.378) 4.473 3.083 ( 1.533 -1.657 -0.987) 2.464 3.083 ( -1.533 -1.657 0.987) 2.464 3.176 ( -0.506 1.314 -4.069) 4.305 3.176 ( 0.506 1.314 4.069) 4.305 3.313 ( -4.097 0.461 -0.468) 4.149 3.313 ( 4.097 0.461 0.468) 4.149 3.393 ( -6.448 3.271 -0.618) 7.256 3.393 ( 6.448 3.271 0.618) 7.256 3.462 ( -4.251 1.480 -4.944) 6.686 3.462 ( 4.251 1.480 4.944) 6.686 3.659 ( 1.234 1.627 -2.372) 3.130 3.659 ( -1.234 1.627 2.372) 3.130 3.750 ( 1.563 5.706 -0.759) 5.965 3.750 ( -1.563 5.706 0.759) 5.965 3.838 ( -7.183 0.760 -3.326) 7.952 3.838 ( 7.183 0.760 3.326) 7.952 4.027 ( -1.243 1.662 -0.720) 2.197 4.027 ( 1.243 1.662 0.720) 2.197 4.136 ( -0.742 -2.345 -6.654) 7.094 4.136 ( 0.742 -2.345 6.654) 7.094 4.322 ( -0.265 -1.810 -3.997) 4.396 4.322 ( 0.265 -1.810 3.997) 4.396 4.392 ( -3.933 3.902 -1.754) 5.811 4.392 ( 3.933 3.902 1.754) 5.811 4.718 ( -5.468 0.313 -2.093) 5.864 4.718 ( 5.468 0.313 2.093) 5.864 4.812 ( -0.455 1.658 -3.093) 3.539 4.812 ( 0.455 1.658 3.093) 3.539 4.954 ( 1.036 -0.611 -3.736) 3.925 4.954 ( -1.036 -0.611 3.736) 3.925 5.105 ( 1.984 3.883 -1.961) 4.781 5.105 ( -1.984 3.883 1.961) 4.781 5.405 ( 1.274 -0.088 -2.716) 3.001 5.405 ( -1.274 -0.088 2.716) 3.001 5.646 ( -4.540 3.090 -2.445) 6.011 5.646 ( 4.540 3.090 2.445) 6.011 5.706 ( -5.012 1.263 -1.935) 5.519 5.706 ( 5.012 1.263 1.935) 5.519 5.962 ( 1.464 3.463 -9.133) 9.877 5.962 ( -1.464 3.463 9.133) 9.877 6.074 ( 0.526 1.980 -7.588) 7.859 6.074 ( -0.526 1.980 7.588) 7.859 6.192 ( -6.130 -12.556 -2.238) 14.151 6.192 ( 6.130 -12.556 2.238) 14.151 6.466 ( -2.301 -0.432 -1.115) 2.593 6.466 ( 2.301 -0.432 1.115) 2.593 6.765 ( 4.422 -7.063 -5.198) 9.821 6.765 ( -4.422 -7.063 5.198) 9.821 9.022 ( -0.827 -1.576 -2.832) 3.345 9.022 ( 0.827 -1.576 2.832) 3.345 9.179 ( -1.260 -1.810 -0.461) 2.253 9.179 ( 1.260 -1.810 0.461) 2.253 9.403 ( -0.821 0.511 -3.581) 3.709 9.403 ( 0.821 0.511 3.581) 3.709 9.508 ( 0.725 -0.162 -2.763) 2.861 9.508 ( -0.725 -0.162 2.763) 2.861 10.209 ( 0.803 1.210 -3.596) 3.878 10.209 ( -0.803 1.210 3.596) 3.878 10.435 ( 3.707 1.021 -3.836) 5.431 10.435 ( -3.707 1.021 3.836) 5.431 11.813 ( 1.095 1.282 -1.691) 2.388 11.813 ( -1.095 1.282 1.691) 2.388 11.928 ( 2.297 1.302 -2.270) 3.482 11.928 ( -2.297 1.302 2.270) 3.482 13.308 ( -0.808 0.182 -0.771) 1.131 13.308 ( 0.808 0.182 0.771) 1.131 13.395 ( 0.275 -0.965 -0.981) 1.403 13.395 ( -0.275 -0.965 0.981) 1.403 14.598 ( 2.110 1.566 -1.800) 3.185 14.598 ( -2.110 1.566 1.800) 3.185 14.686 ( 2.682 -0.026 -2.043) 3.371 14.686 ( -2.682 -0.026 2.043) 3.371 15.025 ( 0.024 -1.412 -3.570) 3.839 15.025 ( -0.024 -1.412 3.570) 3.839 15.037 ( 1.595 -1.467 -2.708) 3.469 15.037 ( -1.595 -1.467 2.708) 3.469 15.309 ( 2.234 -2.625 -2.655) 4.351 15.309 ( -2.234 -2.625 2.655) 4.351 15.601 ( 2.587 -6.112 -7.246) 9.826 15.601 ( -2.587 -6.112 7.246) 9.826 16.307 ( -1.342 2.125 -0.307) 2.532 16.307 ( 1.342 2.125 0.307) 2.532 16.333 ( -3.019 1.464 -1.047) 3.515 16.333 ( 3.019 1.464 1.047) 3.515 17.573 ( 0.778 0.147 -1.393) 1.603 17.573 ( -0.778 0.147 1.393) 1.603 17.656 ( 0.571 -1.292 -1.087) 1.783 17.656 ( -0.571 -1.292 1.087) 1.783 20.764 ( 0.634 0.804 -1.527) 1.838 20.764 ( -0.634 0.804 1.527) 1.838 20.973 ( 0.504 -2.323 -0.890) 2.538 20.973 ( -0.504 -2.323 0.890) 2.538 25.277 ( -5.384 -5.741 -7.073) 10.581 25.277 ( 5.384 -5.741 7.073) 10.581 25.527 ( 13.380 -15.147 -9.891) 22.501 25.527 ( -13.380 -15.147 9.891) 22.501 28.355 ( 0.004 -0.356 -0.351) 0.500 28.355 ( -0.004 -0.356 0.351) 0.500 28.383 ( 0.236 -0.719 -0.412) 0.861 28.383 ( -0.236 -0.719 0.412) 0.861 29.657 ( -1.143 -0.094 -0.716) 1.352 29.657 ( 1.143 -0.094 0.716) 1.352 29.807 ( -0.826 -0.116 -1.204) 1.465 29.807 ( 0.826 -0.116 1.204) 1.465 32.012 ( 0.288 2.141 -2.053) 2.980 32.012 ( -0.288 2.141 2.053) 2.980 32.154 ( -1.072 5.480 -1.474) 5.775 32.154 ( 1.072 5.480 1.474) 5.775 32.396 ( -2.181 3.005 -1.764) 4.111 32.396 ( 2.181 3.005 1.764) 4.111 32.635 ( -2.796 4.807 -1.646) 5.800 32.635 ( 2.796 4.807 1.646) 5.800 32.829 ( 1.241 4.403 -1.598) 4.846 32.829 ( -1.241 4.403 1.598) 4.846 33.189 ( 0.680 -3.172 -3.122) 4.502 33.189 ( -0.680 -3.172 3.122) 4.502 33.721 ( 8.730 8.466 -9.362) 15.347 33.721 ( -8.730 8.466 9.362) 15.347 34.351 ( 4.713 -5.897 -6.047) 9.673 34.351 ( -4.713 -5.897 6.047) 9.673 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 5.253 20.906 -1.383) 21.600 1.217 ( 2.281 10.087 -4.914) 11.450 1.343 ( 2.537 4.388 4.663) 6.887 1.453 ( 8.554 3.978 10.887) 14.406 1.602 ( -8.452 0.360 3.109) 9.013 1.760 ( -3.733 0.379 -0.574) 3.796 1.798 ( -3.671 -0.817 4.077) 5.547 1.859 ( -1.182 -1.485 -5.244) 5.576 2.008 ( 2.860 0.288 -5.830) 6.500 2.101 ( -2.599 2.888 -3.994) 5.572 2.214 ( 1.265 4.606 0.030) 4.777 2.235 ( -1.874 2.294 3.912) 4.908 2.320 ( -1.395 -0.511 -4.002) 4.269 2.375 ( -1.976 -0.007 3.549) 4.062 2.438 ( 3.494 -4.100 -11.736) 12.913 2.479 ( -0.027 2.640 -2.064) 3.351 2.501 ( -1.949 6.295 3.477) 7.451 2.638 ( -1.968 2.358 -0.433) 3.101 2.643 ( 0.425 7.069 -5.861) 9.193 2.716 ( -1.578 -0.988 3.973) 4.388 2.847 ( 4.824 -1.584 -0.335) 5.088 2.861 ( -4.394 -0.825 5.467) 7.062 2.943 ( 0.331 4.067 3.996) 5.712 3.006 ( 3.432 -0.303 1.912) 3.940 3.060 ( 2.484 4.641 5.178) 7.383 3.096 ( 1.680 1.051 0.574) 2.063 3.144 ( -0.965 1.674 -1.386) 2.378 3.173 ( -0.684 3.274 5.901) 6.784 3.220 ( -5.690 6.413 -3.412) 9.227 3.335 ( 1.516 2.225 0.037) 2.692 3.344 ( -1.613 -3.126 -2.364) 4.238 3.434 ( 2.189 3.112 -1.250) 4.005 3.470 ( -0.481 2.364 1.701) 2.952 3.579 ( 1.216 2.546 -3.110) 4.199 3.627 ( 2.240 -0.182 -0.060) 2.248 3.640 ( -0.894 -1.415 -5.568) 5.814 3.674 ( -2.670 6.425 -1.347) 7.087 3.776 ( -0.123 4.111 1.648) 4.431 3.830 ( 4.550 3.186 4.587) 7.204 3.935 ( -1.531 4.627 1.032) 4.982 4.017 ( -0.957 1.224 -0.606) 1.667 4.068 ( -0.139 -0.270 -0.056) 0.309 4.118 ( 6.342 -1.489 -1.812) 6.761 4.211 ( 4.517 -0.813 -2.610) 5.280 4.278 ( -1.443 2.386 -2.627) 3.831 4.327 ( -1.670 -3.744 -3.631) 5.477 4.365 ( 2.721 0.914 4.797) 5.590 4.489 ( 3.661 3.049 3.349) 5.823 4.602 ( -6.165 -0.064 1.396) 6.321 4.724 ( -5.127 -0.308 0.370) 5.150 4.795 ( -1.695 0.949 0.335) 1.971 4.827 ( 0.482 1.204 2.334) 2.670 4.920 ( -2.473 -1.398 -1.765) 3.345 4.957 ( 1.896 2.262 -3.044) 4.240 5.006 ( -5.448 5.801 3.893) 8.859 5.119 ( -1.362 0.977 -1.838) 2.487 5.350 ( -6.495 -1.071 1.757) 6.813 5.422 ( -0.592 0.378 -1.043) 1.258 5.497 ( -7.959 0.420 0.124) 7.971 5.568 ( -5.577 1.207 -1.745) 5.967 5.662 ( -4.370 1.299 -0.574) 4.595 5.687 ( -4.891 2.878 -0.117) 5.676 5.904 ( -3.669 0.841 -3.526) 5.158 5.983 ( -0.839 1.891 4.930) 5.347 6.059 ( -1.313 -6.193 2.074) 6.662 6.088 ( 0.619 1.111 1.799) 2.204 6.143 ( 2.637 1.294 -3.755) 4.767 6.259 ( 0.655 -6.827 0.852) 6.911 6.496 ( 5.943 -0.166 -2.092) 6.303 6.563 ( 7.094 -2.065 1.708) 7.583 6.814 ( 5.185 -5.659 3.930) 8.623 6.917 ( 10.804 -11.720 -7.071) 17.438 9.010 ( 0.768 -0.976 -1.604) 2.028 9.059 ( 1.256 -2.366 2.496) 3.661 9.166 ( 0.622 -0.538 0.484) 0.954 9.225 ( 2.455 -3.317 -1.413) 4.362 9.383 ( 0.832 0.042 -2.949) 3.064 9.453 ( 2.530 0.588 2.310) 3.476 9.476 ( -1.027 0.074 1.188) 1.572 9.545 ( 1.520 -0.096 0.029) 1.523 10.204 ( 0.207 0.861 -0.713) 1.137 10.226 ( 0.952 1.581 1.365) 2.295 10.380 ( -3.927 1.466 3.818) 5.670 10.464 ( 1.301 1.483 -3.410) 3.940 11.761 ( -2.350 0.945 -0.065) 2.533 11.846 ( -0.546 -0.801 -0.633) 1.158 11.891 ( -0.613 3.274 1.425) 3.623 11.959 ( 1.312 1.548 -1.188) 2.351 13.283 ( -0.939 0.113 -0.366) 1.014 13.333 ( 0.449 -0.625 0.301) 0.826 13.365 ( -0.890 -0.834 -0.027) 1.220 13.417 ( 0.913 -0.881 -0.976) 1.601 14.568 ( -1.368 1.410 1.417) 2.422 14.643 ( -1.157 1.914 1.095) 2.490 14.649 ( 2.132 0.347 -0.521) 2.222 14.731 ( 2.514 0.534 -0.921) 2.730 14.995 ( -0.956 -1.540 -1.469) 2.333 15.010 ( -0.700 -0.602 -1.127) 1.457 15.050 ( 1.143 -1.386 -0.820) 1.974 15.084 ( 2.188 -2.174 3.678) 4.800 15.216 ( -6.338 1.375 5.458) 8.476 15.353 ( -0.004 -2.912 -1.529) 3.289 15.528 ( -2.170 -4.421 3.015) 5.775 15.681 ( 3.413 -9.244 -4.094) 10.670 16.226 ( -4.236 2.842 -0.215) 5.105 16.284 ( -2.229 1.562 -0.509) 2.769 16.332 ( 0.564 2.095 -0.231) 2.182 16.383 ( 0.725 0.013 0.542) 0.905 17.551 ( -1.518 0.336 0.945) 1.820 17.578 ( -0.089 0.147 -1.354) 1.365 17.647 ( -0.616 -1.283 0.986) 1.731 17.662 ( 0.154 -1.400 -0.886) 1.664 20.725 ( -0.652 0.290 0.619) 0.944 20.830 ( 3.312 -0.144 -1.485) 3.633 20.949 ( -0.803 -2.283 0.509) 2.473 21.003 ( 1.727 -1.511 -1.129) 2.557 25.158 ( -4.666 -3.495 -2.084) 6.191 25.249 ( -11.218 -4.285 4.709) 12.899 25.457 ( 6.193 -9.365 12.463) 16.774 25.823 ( 16.121 -26.272 -13.584) 33.685 28.341 ( -1.061 -0.245 -0.150) 1.099 28.345 ( -1.019 -0.150 0.034) 1.030 28.386 ( 0.108 -0.576 0.426) 0.725 28.391 ( 0.616 -1.542 -0.320) 1.691 29.641 ( -0.153 0.458 -0.189) 0.519 29.680 ( 0.660 -0.112 0.318) 0.741 29.799 ( 0.973 -0.175 -0.713) 1.219 29.839 ( 1.743 -0.570 0.449) 1.888 31.965 ( -3.159 2.844 -2.070) 4.728 31.986 ( -2.784 2.533 2.020) 4.272 32.170 ( 2.862 5.952 -1.102) 6.695 32.202 ( 2.708 4.018 0.137) 4.847 32.373 ( 0.080 2.683 -0.384) 2.711 32.460 ( 2.972 3.901 2.508) 5.508 32.569 ( -2.128 5.661 -1.376) 6.203 32.688 ( 2.371 1.952 -2.587) 4.016 32.839 ( 0.606 3.503 2.927) 4.605 32.860 ( 0.403 0.869 -0.056) 0.959 33.109 ( -6.682 -1.165 0.725) 6.822 33.160 ( -4.044 -2.903 -0.937) 5.066 33.550 ( -12.256 18.784 16.543) 27.869 33.755 ( 2.587 6.082 -11.720) 13.455 34.319 ( 2.706 -6.314 1.359) 7.003 34.503 ( 8.338 -8.421 -6.460) 13.497 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 5.302 5.329 -5.953) 9.589 1.258 ( 2.630 9.369 2.750) 10.112 1.320 ( -4.398 1.746 3.102) 5.658 1.445 ( -7.477 0.133 -0.842) 7.526 1.630 ( 3.186 2.103 -3.590) 5.241 1.714 ( -2.844 1.924 13.392) 13.825 1.801 ( 6.628 2.105 0.193) 6.957 1.861 ( 1.210 -3.005 0.983) 3.386 1.979 ( -4.828 2.739 -5.065) 7.515 2.038 ( 2.484 -0.557 -4.329) 5.022 2.187 ( 1.686 5.523 -0.008) 5.775 2.280 ( -0.843 -2.819 -1.583) 3.341 2.294 ( -1.062 5.512 0.419) 5.629 2.360 ( -1.336 4.557 5.041) 6.925 2.410 ( -2.403 0.648 1.262) 2.791 2.444 ( 2.162 2.446 -8.097) 8.730 2.522 ( 2.411 0.772 2.836) 3.801 2.618 ( 1.377 -0.619 -0.577) 1.616 2.693 ( -2.835 -1.359 6.221) 6.970 2.762 ( 3.888 -0.257 2.182) 4.465 2.779 ( -2.271 0.073 -1.769) 2.879 2.899 ( 0.757 2.424 -5.038) 5.642 2.933 ( -0.420 6.792 -0.335) 6.813 3.026 ( -0.568 -0.032 -5.502) 5.532 3.034 ( -3.208 3.855 -4.226) 6.558 3.087 ( -2.395 3.720 -0.329) 4.436 3.127 ( 1.501 -0.326 4.191) 4.463 3.215 ( 3.145 2.560 3.758) 5.529 3.253 ( 0.632 3.775 4.382) 5.819 3.314 ( -2.121 1.930 -2.532) 3.826 3.385 ( 0.966 2.230 1.431) 2.821 3.451 ( -1.382 0.745 4.364) 4.638 3.495 ( 5.223 2.757 1.130) 6.013 3.538 ( -0.652 1.468 -7.130) 7.308 3.591 ( -0.856 3.844 -4.310) 5.838 3.651 ( 4.707 2.778 -0.243) 5.471 3.723 ( 3.465 -0.535 0.490) 3.540 3.797 ( 2.515 6.340 2.638) 7.313 3.816 ( -7.020 5.508 -2.443) 9.251 3.919 ( -1.499 3.956 4.625) 6.268 3.963 ( -3.938 3.636 -3.075) 6.179 4.038 ( -2.370 0.067 0.795) 2.501 4.180 ( -1.318 -0.649 -2.269) 2.703 4.238 ( 1.174 4.345 2.947) 5.380 4.261 ( 1.206 2.014 -2.375) 3.339 4.297 ( 2.700 -2.564 -1.160) 3.900 4.439 ( -9.400 0.709 -0.909) 9.470 4.516 ( 2.299 0.883 7.236) 7.643 4.592 ( 5.111 -3.176 0.850) 6.078 4.682 ( 0.660 -0.334 0.033) 0.740 4.733 ( -2.058 -2.067 1.344) 3.212 4.792 ( -2.481 3.677 -0.585) 4.474 4.920 ( 2.738 -0.012 -3.674) 4.582 4.987 ( -0.168 5.160 4.274) 6.702 5.000 ( 2.872 3.146 -4.093) 5.907 5.048 ( -4.514 -1.114 -0.789) 4.716 5.228 ( -5.759 -1.410 5.391) 8.014 5.294 ( -6.366 -1.480 -6.317) 9.090 5.467 ( -0.973 -5.418 6.331) 8.389 5.505 ( -0.363 4.052 -0.143) 4.071 5.583 ( -5.436 1.092 -0.391) 5.559 5.640 ( 0.674 0.522 -4.771) 4.846 5.795 ( -4.205 -1.974 -2.375) 5.217 5.918 ( -6.823 -3.076 3.121) 8.109 6.080 ( 1.060 1.418 2.209) 2.831 6.111 ( 0.502 2.080 -0.364) 2.170 6.176 ( 2.796 1.915 -2.461) 4.188 6.253 ( -1.664 -3.039 1.610) 3.821 6.630 ( 9.234 -2.757 -1.807) 9.805 6.722 ( 8.318 -2.441 1.033) 8.730 6.897 ( 0.339 -5.595 3.795) 6.769 6.986 ( 0.141 -10.168 -5.464) 11.544 9.030 ( 1.735 -0.781 -0.291) 1.925 9.077 ( -0.036 -1.569 -0.055) 1.571 9.196 ( 1.174 -1.995 2.883) 3.697 9.238 ( 0.318 -3.085 -2.390) 3.915 9.403 ( 2.622 -0.121 -1.755) 3.157 9.477 ( 0.250 -1.144 -0.768) 1.401 9.514 ( 2.542 0.986 2.328) 3.586 9.562 ( 0.314 0.142 0.638) 0.725 10.210 ( 0.900 0.793 -0.859) 1.476 10.245 ( -0.479 0.872 1.904) 2.149 10.355 ( -0.147 2.771 3.164) 4.209 10.448 ( -1.163 2.412 -3.191) 4.166 11.736 ( 0.105 0.076 -1.270) 1.277 11.798 ( -3.636 -0.829 1.941) 4.204 11.916 ( 1.953 3.095 -0.612) 3.711 11.963 ( -0.319 2.107 -0.410) 2.170 13.274 ( 0.222 -0.513 -0.285) 0.627 13.314 ( -1.732 -1.500 0.291) 2.310 13.378 ( 1.360 -0.591 0.012) 1.483 13.418 ( -0.260 -0.920 -0.923) 1.328 14.564 ( 0.290 1.482 0.866) 1.741 14.613 ( -1.916 1.467 0.950) 2.594 14.705 ( 3.209 1.623 -0.790) 3.682 14.760 ( 0.870 1.502 -0.522) 1.813 14.977 ( -1.052 -0.894 1.879) 2.331 14.995 ( -0.192 -0.095 -2.120) 2.131 15.066 ( 2.091 0.360 -3.736) 4.297 15.131 ( -2.506 -0.378 5.885) 6.407 15.165 ( 0.756 0.564 4.589) 4.685 15.307 ( -2.802 -2.632 -3.139) 4.963 15.549 ( 1.471 -4.996 4.857) 7.122 15.675 ( -0.934 -8.124 -5.917) 10.094 16.182 ( -0.477 1.483 0.289) 1.584 16.240 ( -2.214 0.738 -0.645) 2.421 16.335 ( 0.131 2.081 -0.287) 2.105 16.370 ( -1.825 0.398 0.417) 1.913 17.535 ( -0.794 0.479 1.365) 1.650 17.560 ( -0.786 0.286 -1.839) 2.020 17.643 ( -0.409 -1.278 1.201) 1.801 17.654 ( -0.334 -1.258 -1.025) 1.657 20.746 ( 2.352 -1.426 0.296) 2.766 20.843 ( -1.211 -2.573 -0.818) 2.959 20.965 ( 2.031 -0.243 0.457) 2.096 21.018 ( 0.415 -0.653 -1.148) 1.384 25.091 ( -2.213 -1.550 0.673) 2.784 25.126 ( -4.299 -1.107 0.736) 4.500 25.649 ( 6.219 -13.480 16.553) 22.235 25.926 ( 3.991 -25.857 -17.676) 31.575 28.322 ( -0.783 -0.061 -0.014) 0.785 28.326 ( -0.892 -0.022 -0.067) 0.895 28.389 ( -0.002 -0.835 0.544) 0.997 28.396 ( 0.119 -1.834 -0.559) 1.920 29.648 ( 0.746 0.803 0.393) 1.164 29.680 ( -0.388 0.538 -0.463) 0.809 29.829 ( 2.141 -0.727 -0.249) 2.275 29.864 ( 0.602 -0.901 0.228) 1.107 31.914 ( -1.138 2.998 -1.335) 3.474 31.945 ( -2.624 2.500 1.588) 3.957 32.219 ( 2.385 5.479 -0.062) 5.976 32.240 ( 1.521 4.342 -0.519) 4.630 32.392 ( 2.150 2.979 0.032) 3.674 32.493 ( -0.769 5.335 0.042) 5.391 32.558 ( 1.329 5.654 -0.247) 5.813 32.696 ( -2.456 -0.048 -4.241) 4.901 32.781 ( -1.246 3.608 -1.242) 4.015 32.884 ( 1.722 1.468 2.669) 3.499 33.024 ( -4.081 -1.423 1.650) 4.626 33.038 ( -7.504 -2.582 -1.568) 8.089 33.547 ( -1.202 16.752 24.924) 30.055 33.730 ( 2.556 8.222 -17.446) 19.455 34.407 ( 5.368 -7.348 0.652) 9.123 34.553 ( 0.545 -8.747 -4.488) 9.846 ======================= Grid point 137 (62/70) ======================= q-point: ( 0.50 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.355 0.541 -1.156) 1.861 1.259 ( 1.355 0.541 1.156) 1.861 1.332 ( -1.834 4.637 -1.919) 5.343 1.332 ( 1.834 4.637 1.919) 5.343 1.705 ( 5.006 -1.207 -9.823) 11.091 1.705 ( -5.006 -1.207 9.823) 11.091 1.856 ( 1.010 3.475 -4.443) 5.731 1.856 ( -1.010 3.475 4.443) 5.731 2.002 ( -2.247 -1.219 -8.309) 8.693 2.002 ( 2.247 -1.219 8.309) 8.693 2.213 ( -1.017 1.267 -3.451) 3.815 2.213 ( 1.017 1.267 3.451) 3.815 2.346 ( 3.775 7.543 -6.991) 10.956 2.346 ( -3.775 7.543 6.991) 10.956 2.432 ( 0.035 -1.734 -4.799) 5.103 2.432 ( -0.035 -1.734 4.799) 5.103 2.636 ( 1.876 -0.535 -5.297) 5.645 2.636 ( -1.876 -0.535 5.297) 5.645 2.670 ( -5.136 0.379 -5.003) 7.180 2.670 ( 5.136 0.379 5.003) 7.180 2.800 ( -1.121 3.069 -2.226) 3.954 2.800 ( 1.121 3.069 2.226) 3.954 2.987 ( -0.964 1.123 -2.812) 3.178 2.987 ( 0.964 1.123 2.812) 3.178 3.086 ( -2.483 7.836 -3.725) 9.024 3.086 ( 2.483 7.836 3.725) 9.024 3.183 ( -1.861 1.408 -2.697) 3.567 3.183 ( 1.861 1.408 2.697) 3.567 3.260 ( -0.724 2.247 -0.840) 2.506 3.260 ( 0.724 2.247 0.840) 2.506 3.398 ( 2.046 1.764 -3.101) 4.112 3.398 ( -2.046 1.764 3.101) 4.112 3.531 ( 1.921 0.153 -2.676) 3.298 3.531 ( -1.921 0.153 2.676) 3.298 3.646 ( -4.727 3.153 -0.664) 5.721 3.646 ( 4.727 3.153 0.664) 5.721 3.742 ( -0.181 2.650 -2.016) 3.334 3.742 ( 0.181 2.650 2.016) 3.334 3.869 ( -3.893 4.882 -0.599) 6.273 3.869 ( 3.893 4.882 0.599) 6.273 4.043 ( -1.738 2.099 -1.124) 2.948 4.043 ( 1.738 2.099 1.124) 2.948 4.141 ( -7.151 1.567 -4.536) 8.612 4.141 ( 7.151 1.567 4.536) 8.612 4.277 ( 2.178 1.183 -3.467) 4.262 4.277 ( -2.178 1.183 3.467) 4.262 4.443 ( -6.964 1.354 -3.128) 7.754 4.443 ( 6.964 1.354 3.128) 7.754 4.701 ( -1.198 -1.211 -1.704) 2.409 4.701 ( 1.198 -1.211 1.704) 2.409 4.751 ( -2.804 0.181 -0.273) 2.824 4.751 ( 2.804 0.181 0.273) 2.824 4.955 ( 2.047 0.350 -5.413) 5.798 4.955 ( -2.047 0.350 5.413) 5.798 5.012 ( 1.182 3.500 -4.012) 5.453 5.012 ( -1.182 3.500 4.012) 5.453 5.208 ( 0.745 -2.477 -6.562) 7.053 5.208 ( -0.745 -2.477 6.562) 7.053 5.499 ( -2.854 -2.437 -2.351) 4.429 5.499 ( 2.854 -2.437 2.351) 4.429 5.559 ( -3.134 0.528 -8.675) 9.238 5.559 ( 3.134 0.528 8.675) 9.238 5.812 ( -1.866 -2.320 -2.782) 4.075 5.812 ( 1.866 -2.320 2.782) 4.075 6.103 ( 1.210 2.946 -5.838) 6.650 6.103 ( -1.210 2.946 5.838) 6.650 6.219 ( 2.933 -0.674 -2.291) 3.782 6.219 ( -2.933 -0.674 2.291) 3.782 6.779 ( -5.242 -4.939 -0.589) 7.227 6.779 ( 5.242 -4.939 0.589) 7.227 6.916 ( -3.337 -5.174 -3.322) 6.995 6.916 ( 3.337 -5.174 3.322) 6.995 9.061 ( -0.709 -0.851 -1.261) 1.679 9.061 ( 0.709 -0.851 1.261) 1.679 9.224 ( -0.285 -2.924 -2.961) 4.171 9.224 ( 0.285 -2.924 2.961) 4.171 9.452 ( -2.136 -0.565 -0.675) 2.311 9.452 ( 2.136 -0.565 0.675) 2.311 9.558 ( -0.323 0.341 -1.796) 1.856 9.558 ( 0.323 0.341 1.796) 1.856 10.229 ( 1.436 0.640 -1.756) 2.357 10.229 ( -1.436 0.640 1.756) 2.357 10.398 ( -2.243 3.074 -3.167) 4.951 10.398 ( 2.243 3.074 3.167) 4.951 11.751 ( 2.281 -0.541 -1.960) 3.055 11.751 ( -2.281 -0.541 1.960) 3.055 11.946 ( -0.894 2.621 -0.032) 2.770 11.946 ( 0.894 2.621 0.032) 2.770 13.287 ( -1.114 -1.210 0.076) 1.647 13.287 ( 1.114 -1.210 -0.076) 1.647 13.401 ( 0.090 -0.872 -2.127) 2.300 13.401 ( -0.090 -0.872 2.127) 2.300 14.584 ( -1.015 1.614 -0.369) 1.942 14.584 ( 1.015 1.614 0.369) 1.942 14.750 ( -0.067 1.765 -1.787) 2.512 14.750 ( 0.067 1.765 1.787) 2.512 14.980 ( 0.102 0.003 -2.528) 2.530 14.980 ( -0.102 0.003 2.528) 2.530 15.094 ( 3.209 1.980 -6.442) 7.464 15.094 ( -3.209 1.980 6.442) 7.464 15.235 ( -3.087 -3.000 -3.897) 5.806 15.235 ( 3.087 -3.000 3.897) 5.806 15.612 ( 1.366 -5.864 -12.653) 14.013 15.612 ( -1.366 -5.864 12.653) 14.013 16.200 ( -1.544 0.296 -0.855) 1.790 16.200 ( 1.544 0.296 0.855) 1.790 16.342 ( 0.209 1.481 -0.341) 1.534 16.342 ( -0.209 1.481 0.341) 1.534 17.539 ( -0.319 0.439 -1.849) 1.927 17.539 ( 0.319 0.439 1.849) 1.927 17.645 ( 0.005 -1.199 -1.118) 1.640 17.645 ( -0.005 -1.199 1.118) 1.640 20.799 ( -2.912 -2.742 -0.414) 4.021 20.799 ( 2.912 -2.742 0.414) 4.021 21.003 ( -0.753 -0.001 -1.527) 1.703 21.003 ( 0.753 -0.001 1.527) 1.703 25.082 ( 0.517 -0.713 -2.864) 2.996 25.082 ( -0.517 -0.713 2.864) 2.996 25.830 ( -2.363 -19.285 -20.429) 28.193 25.830 ( 2.363 -19.285 20.429) 28.193 28.316 ( 0.019 0.020 -0.260) 0.262 28.316 ( -0.019 0.020 0.260) 0.262 28.393 ( -0.049 -1.340 -0.724) 1.523 28.393 ( 0.049 -1.340 0.724) 1.523 29.666 ( -0.746 0.835 -0.724) 1.334 29.666 ( 0.746 0.835 0.724) 1.334 29.860 ( -0.353 -0.948 -0.397) 1.087 29.860 ( 0.353 -0.948 0.397) 1.087 31.912 ( 1.422 2.600 -1.040) 3.141 31.912 ( -1.422 2.600 1.040) 3.141 32.248 ( -0.491 4.907 -0.469) 4.954 32.248 ( 0.491 4.907 0.469) 4.954 32.448 ( -2.045 3.932 -1.908) 4.825 32.448 ( 2.045 3.932 1.908) 4.825 32.600 ( -3.234 5.948 -1.313) 6.897 32.600 ( 3.234 5.948 1.313) 6.897 32.860 ( -6.051 0.693 -1.436) 6.258 32.860 ( 6.051 0.693 1.436) 6.258 32.966 ( -1.584 -2.527 -0.465) 3.019 32.966 ( 1.584 -2.527 0.465) 3.019 33.662 ( 0.946 11.280 -23.162) 25.780 33.662 ( -0.946 11.280 23.162) 25.780 34.501 ( -2.128 -7.990 -3.789) 9.095 34.501 ( 2.128 -7.990 3.789) 9.095 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 4.271 6.025 -3.119) 8.017 1.397 ( -4.271 6.025 3.119) 8.017 1.520 ( -2.635 15.961 -8.728) 18.382 1.520 ( 2.635 15.961 8.728) 18.382 1.744 ( 1.545 1.533 -0.932) 2.368 1.744 ( -1.545 1.533 0.932) 2.368 1.839 ( 0.896 -0.164 -3.978) 4.081 1.839 ( -0.896 -0.164 3.978) 4.081 2.065 ( -0.499 -1.752 -8.315) 8.512 2.065 ( 0.499 -1.752 8.315) 8.512 2.220 ( 2.167 -0.701 -6.480) 6.868 2.220 ( -2.167 -0.701 6.480) 6.868 2.335 ( -1.148 -0.059 -2.481) 2.735 2.335 ( 1.148 -0.059 2.481) 2.735 2.521 ( -4.698 -3.833 -5.033) 7.880 2.521 ( 4.698 -3.833 5.033) 7.880 2.611 ( -2.557 3.920 -5.754) 7.417 2.611 ( 2.557 3.920 5.754) 7.417 2.771 ( 1.591 0.845 -8.776) 8.959 2.771 ( -1.591 0.845 8.776) 8.959 2.842 ( -5.375 -0.225 -1.828) 5.682 2.842 ( 5.375 -0.225 1.828) 5.682 2.993 ( -2.821 0.318 -2.902) 4.059 2.993 ( 2.821 0.318 2.902) 4.059 3.098 ( -0.249 5.436 -1.887) 5.759 3.098 ( 0.249 5.436 1.887) 5.759 3.238 ( 0.716 5.310 -6.017) 8.056 3.238 ( -0.716 5.310 6.017) 8.056 3.293 ( -1.884 -2.076 -1.351) 3.112 3.293 ( 1.884 -2.076 1.351) 3.112 3.428 ( -3.925 2.267 -2.878) 5.369 3.428 ( 3.925 2.267 2.878) 5.369 3.553 ( -0.388 2.894 -6.981) 7.567 3.553 ( 0.388 2.894 6.981) 7.567 3.648 ( -2.500 0.476 -5.915) 6.439 3.648 ( 2.500 0.476 5.915) 6.439 3.730 ( -2.170 -4.986 -7.748) 9.466 3.730 ( 2.170 -4.986 7.748) 9.466 3.919 ( -0.354 5.038 -2.426) 5.602 3.919 ( 0.354 5.038 2.426) 5.602 4.081 ( -2.485 -1.387 -4.254) 5.118 4.081 ( 2.485 -1.387 4.254) 5.118 4.087 ( -2.587 3.198 -0.989) 4.231 4.087 ( 2.587 3.198 0.989) 4.231 4.298 ( -1.230 -0.367 -4.133) 4.328 4.298 ( 1.230 -0.367 4.133) 4.328 4.483 ( -3.472 4.111 -2.157) 5.797 4.483 ( 3.472 4.111 2.157) 5.797 4.752 ( -1.241 -0.592 -1.927) 2.367 4.752 ( 1.241 -0.592 1.927) 2.367 4.827 ( -0.596 2.521 -4.775) 5.432 4.827 ( 0.596 2.521 4.775) 5.432 4.917 ( 0.539 -1.723 -1.489) 2.339 4.917 ( -0.539 -1.723 1.489) 2.339 5.174 ( 0.214 1.260 -3.017) 3.277 5.174 ( -0.214 1.260 3.017) 3.277 5.451 ( -5.130 4.394 0.874) 6.811 5.451 ( 5.130 4.394 -0.874) 6.811 5.659 ( -6.963 0.213 -0.945) 7.031 5.659 ( 6.963 0.213 0.945) 7.031 5.731 ( -6.066 0.191 -1.243) 6.195 5.731 ( 6.066 0.191 1.243) 6.195 5.886 ( -0.615 -6.098 -3.359) 6.989 5.886 ( 0.615 -6.098 3.359) 6.989 6.009 ( 1.915 -3.211 -4.727) 6.027 6.009 ( -1.915 -3.211 4.727) 6.027 6.123 ( -0.642 -1.209 -3.841) 4.077 6.123 ( 0.642 -1.209 3.841) 4.077 6.487 ( 2.213 1.266 -4.984) 5.599 6.487 ( -2.213 1.266 4.984) 5.599 6.666 ( 3.931 -3.699 -9.852) 11.234 6.666 ( -3.931 -3.699 9.852) 11.234 8.991 ( -0.300 -1.444 -1.830) 2.350 8.991 ( 0.300 -1.444 1.830) 2.350 9.158 ( -0.081 -0.543 -0.535) 0.766 9.158 ( 0.081 -0.543 0.535) 0.766 9.406 ( -0.698 -0.144 -3.044) 3.127 9.406 ( 0.698 -0.144 3.044) 3.127 9.507 ( 0.568 0.017 -2.710) 2.769 9.507 ( -0.568 0.017 2.710) 2.769 10.234 ( 0.546 1.164 -3.404) 3.639 10.234 ( -0.546 1.164 3.404) 3.639 10.444 ( 2.988 0.110 -3.704) 4.760 10.444 ( -2.988 0.110 3.704) 4.760 11.830 ( 0.664 0.515 -1.459) 1.684 11.830 ( -0.664 0.515 1.459) 1.684 11.956 ( 1.640 1.382 -1.686) 2.728 11.956 ( -1.640 1.382 1.686) 2.728 13.315 ( 0.081 0.523 -0.506) 0.733 13.315 ( -0.081 0.523 0.506) 0.733 13.375 ( 0.537 -1.012 -1.029) 1.540 13.375 ( -0.537 -1.012 1.029) 1.540 14.622 ( 1.653 0.940 -1.754) 2.587 14.622 ( -1.653 0.940 1.754) 2.587 14.698 ( 1.760 1.025 -2.034) 2.878 14.698 ( -1.760 1.025 2.034) 2.878 14.998 ( 0.997 -0.895 -5.462) 5.624 14.998 ( -0.997 -0.895 5.462) 5.624 15.023 ( 2.020 -0.029 -1.638) 2.601 15.023 ( -2.020 -0.029 1.638) 2.601 15.271 ( -1.159 -1.648 -0.463) 2.067 15.271 ( 1.159 -1.648 0.463) 2.067 15.516 ( 0.595 -2.941 -4.208) 5.168 15.516 ( -0.595 -2.941 4.208) 5.168 16.325 ( -1.025 0.181 -0.364) 1.103 16.325 ( 1.025 0.181 0.364) 1.103 16.367 ( -0.923 1.627 -0.737) 2.011 16.367 ( 0.923 1.627 0.737) 2.011 17.575 ( 0.443 0.074 -1.065) 1.155 17.575 ( -0.443 0.074 1.065) 1.155 17.632 ( 0.325 -1.113 -0.924) 1.483 17.632 ( -0.325 -1.113 0.924) 1.483 20.780 ( -0.425 0.767 -1.001) 1.331 20.780 ( 0.425 0.767 1.001) 1.331 20.935 ( -0.906 -1.585 0.038) 1.826 20.935 ( 0.906 -1.585 -0.038) 1.826 25.170 ( -3.652 -4.818 -2.950) 6.727 25.170 ( 3.652 -4.818 2.950) 6.727 25.310 ( 5.284 -7.782 -4.919) 10.615 25.310 ( -5.284 -7.782 4.919) 10.615 28.352 ( -0.113 0.032 -0.372) 0.390 28.352 ( 0.113 0.032 0.372) 0.390 28.372 ( 0.367 -0.476 -0.416) 0.731 28.372 ( -0.367 -0.476 0.416) 0.731 29.660 ( -0.694 0.396 -0.541) 0.965 29.660 ( 0.694 0.396 0.541) 0.965 29.799 ( -0.448 -0.573 -1.075) 1.298 29.799 ( 0.448 -0.573 1.075) 1.298 32.048 ( -0.007 1.469 -1.272) 1.943 32.048 ( 0.007 1.469 1.272) 1.943 32.243 ( -0.095 3.550 -1.190) 3.746 32.243 ( 0.095 3.550 1.190) 3.746 32.465 ( -1.833 4.020 -2.278) 4.971 32.465 ( 1.833 4.020 2.278) 4.971 32.678 ( -0.165 -0.108 -2.193) 2.202 32.678 ( 0.165 -0.108 2.193) 2.202 32.886 ( 0.260 2.061 -2.081) 2.940 32.886 ( -0.260 2.061 2.081) 2.940 33.123 ( -1.332 -3.609 -0.139) 3.849 33.123 ( 1.332 -3.609 0.139) 3.849 33.886 ( 4.652 8.491 -9.925) 13.865 33.886 ( -4.652 8.491 9.925) 13.865 34.253 ( 6.578 -4.375 -8.714) 11.762 34.253 ( -6.578 -4.375 8.714) 11.762 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -2.582 4.105 2.234) 5.339 1.438 ( -0.043 4.936 -6.417) 8.096 1.483 ( 0.354 13.657 -2.839) 13.953 1.612 ( -8.381 3.782 4.335) 10.165 1.630 ( 1.689 10.435 10.618) 14.983 1.746 ( -2.617 -3.754 3.088) 5.520 1.793 ( -1.640 2.305 2.984) 4.112 1.827 ( -1.364 1.402 -4.560) 4.962 2.043 ( 3.452 2.604 -6.882) 8.127 2.093 ( -1.701 -3.087 2.802) 4.503 2.168 ( -2.273 -4.842 2.071) 5.736 2.235 ( -3.391 -2.589 -5.037) 6.601 2.283 ( -2.381 -1.267 -2.594) 3.742 2.388 ( 6.248 0.452 0.267) 6.270 2.420 ( -1.970 1.839 -2.267) 3.522 2.520 ( -0.625 0.070 -1.164) 1.323 2.644 ( 2.824 4.676 2.756) 6.118 2.657 ( -1.574 0.685 -2.970) 3.431 2.689 ( -4.757 1.898 2.411) 5.661 2.764 ( -2.291 -1.085 3.015) 3.939 2.835 ( 1.716 0.149 -5.039) 5.326 2.863 ( 1.346 4.097 3.560) 5.592 2.989 ( 2.073 1.253 1.267) 2.734 3.041 ( 0.088 -3.258 1.332) 3.521 3.118 ( -0.130 1.602 -1.545) 2.229 3.143 ( 3.924 8.048 1.142) 9.026 3.208 ( -1.903 3.240 -0.149) 3.760 3.273 ( 0.642 4.067 -1.684) 4.448 3.300 ( -2.149 -1.190 -3.225) 4.054 3.313 ( 4.504 2.918 7.623) 9.322 3.402 ( 3.002 4.505 0.472) 5.434 3.429 ( -0.929 -1.868 -3.205) 3.824 3.530 ( -5.558 5.039 1.353) 7.623 3.572 ( 1.930 -2.650 -3.599) 4.868 3.609 ( 3.013 -1.018 -8.462) 9.040 3.680 ( 2.210 2.533 2.502) 4.190 3.786 ( 4.928 1.186 8.934) 10.272 3.798 ( -1.714 5.018 -0.464) 5.323 3.937 ( 1.763 1.598 -0.522) 2.436 3.964 ( -1.444 -4.094 -1.149) 4.491 3.999 ( 4.887 0.153 2.101) 5.322 4.052 ( -0.361 2.577 -0.432) 2.637 4.133 ( 1.352 2.202 -1.062) 2.794 4.179 ( 6.118 -1.541 -0.781) 6.357 4.265 ( -1.001 -0.268 -2.919) 3.098 4.329 ( 1.032 2.173 -0.178) 2.412 4.422 ( -1.349 2.808 0.601) 3.173 4.539 ( 0.484 1.753 1.875) 2.612 4.688 ( -2.610 3.798 -0.282) 4.617 4.702 ( -5.933 2.028 0.637) 6.302 4.767 ( -4.395 -2.416 0.383) 5.030 4.887 ( 2.151 4.199 3.190) 5.695 4.918 ( -0.431 -0.713 -1.697) 1.890 4.937 ( 2.346 -2.462 -1.148) 3.589 5.110 ( -5.354 3.522 0.899) 6.471 5.133 ( -5.147 -0.433 1.996) 5.538 5.323 ( -8.893 -0.520 1.760) 9.081 5.431 ( -8.699 -1.018 -1.600) 8.904 5.515 ( -6.191 1.615 -2.647) 6.924 5.596 ( -4.428 0.723 -0.657) 4.535 5.678 ( -4.222 2.131 -0.629) 4.771 5.753 ( -2.382 3.508 0.686) 4.296 5.801 ( -2.822 -6.426 -3.435) 7.814 5.895 ( -2.756 -4.153 2.241) 5.465 6.014 ( 4.445 -1.131 1.208) 4.743 6.073 ( 3.446 -2.318 -4.530) 6.145 6.151 ( 2.218 -2.107 0.791) 3.160 6.189 ( 2.280 -2.028 3.481) 4.629 6.515 ( 3.050 1.439 2.859) 4.421 6.559 ( 7.283 0.808 -2.139) 7.633 6.719 ( 3.402 -4.224 7.326) 9.115 6.756 ( 8.792 -5.801 -8.037) 13.250 8.990 ( 1.065 -0.937 -1.271) 1.905 9.015 ( 1.270 -1.982 1.555) 2.822 9.158 ( 0.373 -0.229 0.410) 0.600 9.179 ( 1.329 -1.488 -0.528) 2.064 9.386 ( 0.589 0.319 -2.469) 2.559 9.439 ( 1.236 -1.245 0.856) 1.952 9.494 ( 0.441 1.176 1.578) 2.017 9.541 ( 1.666 -0.357 0.021) 1.704 10.225 ( 0.138 1.109 -1.195) 1.636 10.251 ( 0.309 0.789 2.148) 2.309 10.407 ( -2.292 1.438 3.009) 4.047 10.475 ( 1.881 -0.257 -3.388) 3.883 11.781 ( -2.836 1.039 0.142) 3.023 11.830 ( -2.000 -0.811 0.288) 2.177 11.949 ( 0.693 2.492 0.510) 2.636 11.985 ( 1.617 1.038 -1.108) 2.218 13.288 ( -1.447 0.431 0.254) 1.531 13.322 ( -1.370 -0.550 0.342) 1.515 13.355 ( 0.432 -0.072 -0.262) 0.510 13.398 ( 0.974 -1.000 -0.977) 1.704 14.598 ( -1.125 1.667 1.891) 2.761 14.650 ( 0.301 0.190 1.194) 1.246 14.692 ( 1.677 2.352 -0.855) 3.012 14.744 ( 3.097 0.616 -1.092) 3.342 14.972 ( -1.100 -0.548 0.483) 1.321 14.998 ( -0.641 -0.608 -0.037) 0.884 15.034 ( 2.194 0.002 -0.976) 2.401 15.062 ( 2.442 -0.375 -0.366) 2.498 15.233 ( -2.384 0.077 1.471) 2.803 15.302 ( 0.558 -2.493 0.307) 2.573 15.461 ( -2.446 -2.098 -0.332) 3.239 15.550 ( 0.751 -4.830 -0.326) 4.899 16.267 ( -3.691 1.531 -0.197) 4.001 16.300 ( -2.578 0.201 -0.355) 2.611 16.369 ( 0.390 1.560 -0.210) 1.621 16.389 ( 0.323 0.446 0.291) 0.623 17.559 ( -1.108 0.429 0.529) 1.301 17.578 ( -0.180 -0.095 -0.648) 0.679 17.624 ( -0.520 -1.018 0.393) 1.209 17.636 ( -0.029 -1.268 -0.354) 1.316 20.736 ( -1.639 0.887 0.537) 1.940 20.816 ( 0.411 -1.252 -0.608) 1.452 20.924 ( 1.153 -0.338 0.329) 1.245 20.975 ( 2.307 -1.359 -0.685) 2.764 25.101 ( -2.569 -2.012 -0.328) 3.279 25.184 ( -5.333 -2.249 1.615) 6.009 25.281 ( 4.390 -8.271 5.947) 11.092 25.445 ( 8.325 -13.938 -7.162) 17.744 28.339 ( -0.858 0.101 -0.145) 0.876 28.345 ( -0.815 0.211 -0.026) 0.842 28.371 ( -0.145 -0.727 0.657) 0.990 28.376 ( 0.185 -0.521 -0.471) 0.726 29.654 ( 0.292 0.861 -0.185) 0.928 29.680 ( 0.930 0.084 0.361) 1.001 29.794 ( 0.621 -0.311 -0.671) 0.966 29.822 ( 1.188 -1.143 0.457) 1.711 32.014 ( -2.353 2.148 -1.267) 3.429 32.031 ( -2.197 1.782 1.216) 3.079 32.262 ( 2.249 3.412 -0.581) 4.128 32.277 ( 2.585 3.360 0.359) 4.255 32.438 ( -0.103 3.901 -0.479) 3.932 32.530 ( 3.223 3.383 3.086) 5.600 32.635 ( -1.292 0.928 -0.868) 1.812 32.703 ( 0.494 -0.287 -3.669) 3.713 32.867 ( -1.301 0.337 -0.141) 1.352 32.889 ( -1.021 1.629 1.685) 2.556 33.062 ( -4.497 -2.859 -0.228) 5.334 33.100 ( -3.849 -3.307 -0.382) 5.089 33.829 ( -5.773 10.573 12.099) 17.073 33.917 ( 3.078 9.963 -8.073) 13.188 34.213 ( 0.134 -4.643 5.136) 6.925 34.361 ( 6.833 -6.318 -7.764) 12.119 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -4.722 2.708 -3.175) 6.302 1.355 ( -1.434 0.525 4.512) 4.764 1.436 ( -8.681 5.015 0.835) 10.061 1.459 ( -3.057 4.036 -5.222) 7.274 1.665 ( -1.784 -1.004 -4.268) 4.733 1.750 ( -4.035 1.313 6.076) 7.411 1.777 ( 3.595 -1.901 6.233) 7.442 1.865 ( 3.150 3.871 -0.537) 5.019 2.027 ( -1.940 2.034 0.482) 2.852 2.079 ( 1.371 5.051 -2.505) 5.803 2.144 ( 1.073 -6.166 -2.942) 6.916 2.269 ( 2.267 -2.847 5.175) 6.326 2.278 ( 2.303 0.405 -3.333) 4.071 2.383 ( 1.509 1.221 -0.044) 1.941 2.442 ( -0.285 -1.344 2.261) 2.646 2.522 ( -7.562 2.682 1.089) 8.097 2.551 ( 2.574 0.865 0.502) 2.761 2.667 ( -0.083 4.457 -4.137) 6.082 2.701 ( 0.568 4.534 2.959) 5.444 2.734 ( -1.680 -1.372 2.004) 2.953 2.847 ( 2.087 2.651 -0.824) 3.474 2.947 ( -3.172 -2.447 -5.601) 6.886 2.980 ( 4.354 5.735 0.843) 7.250 3.047 ( 0.030 1.962 1.525) 2.485 3.124 ( 0.561 2.776 1.054) 3.022 3.143 ( -0.601 0.423 -2.806) 2.901 3.218 ( 1.057 3.599 1.593) 4.076 3.256 ( 2.328 3.637 -2.911) 5.207 3.293 ( 2.331 1.814 -0.331) 2.972 3.392 ( -5.051 -2.737 2.822) 6.401 3.394 ( 0.773 6.231 -0.776) 6.326 3.459 ( 1.216 3.594 4.326) 5.754 3.486 ( 1.088 -4.854 -1.083) 5.091 3.573 ( 3.244 1.848 -6.616) 7.597 3.649 ( -1.867 1.757 0.781) 2.680 3.695 ( -2.606 4.289 -2.404) 5.564 3.739 ( 3.436 0.627 -1.273) 3.717 3.898 ( -0.406 -0.316 1.432) 1.521 3.922 ( 3.385 3.660 5.615) 7.509 3.967 ( -1.898 2.917 -2.117) 4.073 4.012 ( -1.525 5.399 0.886) 5.680 4.090 ( 1.603 3.817 0.517) 4.172 4.146 ( -6.089 -2.132 -4.600) 7.923 4.256 ( 7.278 -0.746 0.183) 7.318 4.285 ( 5.553 0.476 -4.784) 7.345 4.340 ( 0.990 4.683 0.956) 4.880 4.495 ( -0.869 2.957 1.823) 3.581 4.508 ( 2.690 0.441 4.128) 4.947 4.609 ( -4.068 3.062 2.912) 5.866 4.677 ( -0.167 1.365 2.042) 2.462 4.700 ( -1.591 -0.739 -0.052) 1.755 4.856 ( -4.182 1.131 -2.265) 4.889 4.911 ( -1.086 -0.607 0.064) 1.246 4.979 ( 1.925 -2.600 -1.297) 3.486 5.036 ( -3.551 -1.292 -2.351) 4.450 5.063 ( -1.698 0.792 7.146) 7.387 5.178 ( -6.998 -2.375 3.487) 8.172 5.268 ( -5.357 -2.178 -3.728) 6.881 5.382 ( -6.002 -3.647 -0.087) 7.024 5.507 ( -6.542 -6.292 -3.061) 9.579 5.634 ( 0.690 7.435 -2.001) 7.731 5.704 ( -2.710 4.372 -2.907) 5.909 5.755 ( 0.216 1.734 -0.002) 1.748 5.845 ( -4.034 -1.924 3.048) 5.410 6.090 ( 2.109 -0.941 2.737) 3.581 6.104 ( 2.437 -2.631 -4.033) 5.396 6.175 ( 0.301 -2.336 1.300) 2.690 6.215 ( -0.485 -1.756 0.933) 2.047 6.611 ( 5.703 0.502 1.732) 5.982 6.697 ( 7.460 -0.304 -2.282) 7.807 6.789 ( 0.613 -5.126 3.022) 5.982 6.844 ( 3.034 -5.294 -2.615) 6.638 9.014 ( 1.839 -0.757 -0.445) 2.038 9.043 ( 0.817 -1.787 0.612) 2.058 9.165 ( -0.150 -1.113 1.409) 1.802 9.186 ( 0.032 -2.079 -1.503) 2.566 9.406 ( 2.501 0.438 -1.433) 2.915 9.458 ( 0.719 -0.951 -0.604) 1.337 9.529 ( 1.725 0.673 1.937) 2.680 9.562 ( 0.531 -0.211 0.200) 0.605 10.227 ( 0.872 0.931 -1.389) 1.886 10.257 ( -1.120 0.288 2.511) 2.764 10.406 ( 0.663 2.370 2.492) 3.502 10.475 ( -0.106 0.412 -3.024) 3.053 11.743 ( -0.838 0.588 -0.866) 1.341 11.783 ( -3.063 -0.756 1.337) 3.426 11.971 ( 1.308 2.383 -0.138) 2.721 11.998 ( 0.249 1.358 -0.479) 1.462 13.270 ( -0.521 0.039 -0.058) 0.526 13.292 ( -1.699 -0.834 0.423) 1.940 13.371 ( 1.022 -0.051 -0.143) 1.033 13.401 ( -0.160 -0.815 -0.817) 1.165 14.601 ( 0.541 2.254 1.271) 2.644 14.647 ( -0.992 1.710 0.688) 2.094 14.734 ( 2.848 1.464 -0.880) 3.321 14.784 ( 1.024 0.718 0.201) 1.266 14.968 ( 0.184 -0.002 1.246) 1.259 14.992 ( 0.330 -0.220 -1.823) 1.866 15.075 ( 3.249 0.579 -2.822) 4.342 15.103 ( 1.462 -0.908 1.928) 2.584 15.203 ( -1.921 1.294 2.786) 3.623 15.275 ( -3.229 -0.650 -0.550) 3.339 15.452 ( 1.793 -4.399 -0.758) 4.811 15.539 ( -1.649 -5.763 -0.138) 5.996 16.214 ( -1.700 1.571 0.008) 2.314 16.249 ( -2.586 0.182 -0.556) 2.651 16.369 ( -0.210 1.286 -0.065) 1.305 16.381 ( -0.947 0.598 0.160) 1.131 17.546 ( -0.547 0.637 0.730) 1.112 17.565 ( -0.747 0.165 -0.879) 1.165 17.619 ( -0.229 -1.137 0.436) 1.239 17.629 ( -0.426 -1.276 -0.362) 1.393 20.730 ( 0.650 -0.200 0.315) 0.750 20.795 ( -1.911 -2.264 -0.286) 2.976 20.966 ( 2.535 0.304 0.199) 2.561 21.004 ( 1.008 -0.793 -0.615) 1.422 25.073 ( -0.594 0.004 0.422) 0.728 25.114 ( -2.806 0.255 0.262) 2.830 25.397 ( 3.920 -11.825 8.321) 14.981 25.516 ( 3.704 -16.551 -9.044) 19.222 28.324 ( -0.638 0.277 0.062) 0.698 28.329 ( -0.761 0.336 -0.192) 0.853 28.371 ( -0.221 -0.897 0.759) 1.196 28.374 ( -0.008 -0.716 -0.611) 0.942 29.666 ( 0.893 1.035 0.203) 1.382 29.690 ( 0.091 0.432 -0.158) 0.469 29.813 ( 1.547 -0.784 -0.279) 1.757 29.840 ( 0.452 -1.473 0.201) 1.554 31.973 ( -1.134 2.799 -1.074) 3.205 31.995 ( -2.252 2.208 1.205) 3.376 32.303 ( 2.056 3.346 0.191) 3.932 32.321 ( 1.516 3.359 0.385) 3.705 32.457 ( 2.434 3.636 -0.140) 4.377 32.585 ( -0.113 4.032 0.040) 4.034 32.634 ( 1.518 1.998 -0.321) 2.530 32.670 ( -0.607 -1.795 -1.957) 2.724 32.826 ( -1.657 1.139 -1.258) 2.372 32.893 ( 0.377 -0.760 2.305) 2.456 32.977 ( -5.198 -2.606 -0.553) 5.841 32.994 ( -5.972 -1.963 -0.912) 6.352 33.831 ( -1.963 12.006 16.190) 20.252 33.921 ( 2.511 10.615 -11.441) 15.808 34.279 ( 3.499 -5.688 4.275) 7.929 34.400 ( 1.515 -6.899 -6.748) 9.769 ======================= Grid point 145 (66/70) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -3.423 2.624 -1.873) 4.703 1.290 ( 3.423 2.624 1.873) 4.703 1.390 ( -1.500 0.656 -5.285) 5.533 1.390 ( 1.500 0.656 5.285) 5.533 1.679 ( 4.099 -0.766 -7.003) 8.151 1.679 ( -4.099 -0.766 7.003) 8.151 1.858 ( -2.742 -1.966 -0.146) 3.377 1.858 ( 2.742 -1.966 0.146) 3.377 2.051 ( -1.822 5.188 -4.225) 6.935 2.051 ( 1.822 5.188 4.225) 6.935 2.210 ( 6.520 -1.568 -4.388) 8.014 2.210 ( -6.520 -1.568 4.388) 8.014 2.367 ( -4.601 -0.661 -1.623) 4.923 2.367 ( 4.601 -0.661 1.623) 4.923 2.463 ( 2.320 0.537 -4.503) 5.094 2.463 ( -2.320 0.537 4.503) 5.094 2.618 ( -2.458 1.340 -8.186) 8.651 2.618 ( 2.458 1.340 8.186) 8.651 2.713 ( 1.304 3.655 -3.723) 5.378 2.713 ( -1.304 3.655 3.723) 5.378 2.878 ( 0.055 0.466 -6.550) 6.566 2.878 ( -0.055 0.466 6.550) 6.566 3.013 ( -1.667 5.190 -2.729) 6.096 3.013 ( 1.667 5.190 2.729) 6.096 3.173 ( -0.528 2.194 -4.407) 4.951 3.173 ( 0.528 2.194 4.407) 4.951 3.251 ( -4.276 -1.667 -0.589) 4.627 3.251 ( 4.276 -1.667 0.589) 4.627 3.308 ( -0.454 3.834 -3.395) 5.141 3.308 ( 0.454 3.834 3.395) 5.141 3.478 ( -0.547 -4.018 -5.109) 6.523 3.478 ( 0.547 -4.018 5.109) 6.523 3.517 ( -5.571 8.098 -4.504) 10.812 3.517 ( 5.571 8.098 4.504) 10.812 3.637 ( 0.026 -1.819 -4.743) 5.080 3.637 ( -0.026 -1.819 4.743) 5.080 3.829 ( -3.975 6.454 -3.547) 8.369 3.829 ( 3.975 6.454 3.547) 8.369 3.966 ( -4.059 3.896 -0.516) 5.650 3.966 ( 4.059 3.896 0.516) 5.650 4.005 ( -3.421 -1.776 -8.612) 9.435 4.005 ( 3.421 -1.776 8.612) 9.435 4.230 ( -7.151 4.710 -6.052) 10.486 4.230 ( 7.151 4.710 6.052) 10.486 4.345 ( 1.512 4.452 -2.087) 5.144 4.345 ( -1.512 4.452 2.087) 5.144 4.498 ( -2.939 4.021 -2.890) 5.759 4.498 ( 2.939 4.021 2.890) 5.759 4.663 ( -2.926 -2.032 -1.672) 3.935 4.663 ( 2.926 -2.032 1.672) 3.935 4.743 ( -5.416 -1.687 -1.371) 5.836 4.743 ( 5.416 -1.687 1.371) 5.836 4.933 ( 0.377 -1.429 -3.634) 3.923 4.933 ( -0.377 -1.429 3.634) 3.923 5.041 ( 3.439 -1.361 -3.794) 5.298 5.041 ( -3.439 -1.361 3.794) 5.298 5.177 ( -1.482 -2.125 -9.360) 9.712 5.177 ( 1.482 -2.125 9.360) 9.712 5.369 ( -3.479 -7.388 -5.595) 9.899 5.369 ( 3.479 -7.388 5.595) 9.899 5.655 ( -0.680 7.595 -0.895) 7.678 5.655 ( 0.680 7.595 0.895) 7.678 5.788 ( -2.864 0.897 0.394) 3.027 5.788 ( 2.864 0.897 -0.394) 3.027 6.116 ( 0.762 -1.985 -4.270) 4.771 6.116 ( -0.762 -1.985 4.270) 4.771 6.195 ( -0.242 -1.971 -2.526) 3.213 6.195 ( 0.242 -1.971 2.526) 3.213 6.716 ( -2.895 -1.656 -3.587) 4.898 6.716 ( 2.895 -1.656 3.587) 4.898 6.833 ( -0.230 -3.585 -4.743) 5.950 6.833 ( 0.230 -3.585 4.743) 5.950 9.042 ( -0.371 -0.994 -0.572) 1.206 9.042 ( 0.371 -0.994 0.572) 1.206 9.173 ( -0.143 -2.088 -2.085) 2.954 9.173 ( 0.143 -2.088 2.085) 2.954 9.447 ( -1.604 -0.032 -0.209) 1.618 9.447 ( 1.604 -0.032 0.209) 1.618 9.560 ( -0.313 -0.032 -1.130) 1.173 9.560 ( 0.313 -0.032 1.130) 1.173 10.241 ( 1.502 0.605 -1.913) 2.506 10.241 ( -1.502 0.605 1.913) 2.506 10.443 ( -1.549 1.595 -2.700) 3.498 10.443 ( 1.549 1.595 2.700) 3.498 11.745 ( 1.590 -0.162 -1.442) 2.153 11.745 ( -1.590 -0.162 1.442) 2.153 11.991 ( -0.599 1.876 -0.147) 1.974 11.991 ( 0.599 1.876 0.147) 1.974 13.271 ( 0.120 -0.482 -0.166) 0.523 13.271 ( -0.120 -0.482 0.166) 0.523 13.388 ( 0.095 -0.477 -1.624) 1.695 13.388 ( -0.095 -0.477 1.624) 1.695 14.625 ( -1.258 2.414 -0.436) 2.757 14.625 ( 1.258 2.414 0.436) 2.757 14.776 ( 0.685 0.857 -2.216) 2.473 14.776 ( -0.685 0.857 2.216) 2.473 14.984 ( -0.459 0.291 -1.386) 1.489 14.984 ( 0.459 0.291 1.386) 1.489 15.115 ( 1.854 0.121 -4.199) 4.592 15.115 ( -1.854 0.121 4.199) 4.592 15.211 ( -0.395 0.526 -4.896) 4.940 15.211 ( 0.395 0.526 4.896) 4.940 15.496 ( 2.516 -5.618 -9.756) 11.536 15.496 ( -2.516 -5.618 9.756) 11.536 16.210 ( -0.782 0.686 -0.677) 1.241 16.210 ( 0.782 0.686 0.677) 1.241 16.368 ( 0.090 1.014 -0.419) 1.101 16.368 ( -0.090 1.014 0.419) 1.101 17.549 ( -0.266 0.526 -1.075) 1.226 17.549 ( 0.266 0.526 1.075) 1.226 17.621 ( -0.194 -1.233 -0.396) 1.309 17.621 ( 0.194 -1.233 0.396) 1.309 20.757 ( -1.790 -1.552 -0.314) 2.389 20.757 ( 1.790 -1.552 0.314) 2.389 21.002 ( -0.505 -0.152 -0.893) 1.037 21.002 ( 0.505 -0.152 0.893) 1.037 25.080 ( 0.518 0.796 -2.838) 2.993 25.080 ( -0.518 0.796 2.838) 2.993 25.491 ( 0.549 -15.083 -12.633) 19.683 25.491 ( -0.549 -15.083 12.633) 19.683 28.320 ( -0.031 0.372 -0.296) 0.476 28.320 ( 0.031 0.372 0.296) 0.476 28.371 ( 0.101 -0.879 -0.722) 1.142 28.371 ( -0.101 -0.879 0.722) 1.142 29.683 ( -0.576 0.873 -0.454) 1.140 29.683 ( 0.576 0.873 0.454) 1.140 29.837 ( -0.744 -1.329 0.039) 1.524 29.837 ( 0.744 -1.329 -0.039) 1.524 31.968 ( 0.927 2.676 -1.014) 3.008 31.968 ( -0.927 2.676 1.014) 3.008 32.329 ( -0.596 3.378 -0.034) 3.431 32.329 ( 0.596 3.378 0.034) 3.431 32.522 ( -2.449 3.648 -3.054) 5.351 32.522 ( 2.449 3.648 3.054) 5.351 32.666 ( -0.316 1.085 -0.767) 1.366 32.666 ( 0.316 1.085 0.767) 1.366 32.854 ( -5.051 -1.203 -1.461) 5.394 32.854 ( 5.051 -1.203 1.461) 5.394 32.925 ( -1.866 -1.443 -1.489) 2.789 32.925 ( 1.866 -1.443 1.489) 2.789 33.888 ( 2.501 11.193 -18.099) 21.427 33.888 ( -2.501 11.193 18.099) 21.427 34.359 ( -1.303 -6.388 -6.702) 9.350 34.359 ( 1.303 -6.388 6.702) 9.350 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -0.245 -0.068 -1.477) 1.499 1.443 ( 0.245 -0.068 1.477) 1.499 1.725 ( -0.386 4.118 -3.466) 5.396 1.725 ( 0.386 4.118 3.466) 5.396 1.843 ( 0.304 5.144 -3.536) 6.249 1.843 ( -0.304 5.144 3.536) 6.249 1.874 ( 1.854 3.320 -2.811) 4.728 1.874 ( -1.854 3.320 2.811) 4.728 2.035 ( -1.252 1.145 -3.135) 3.564 2.035 ( 1.252 1.145 3.135) 3.564 2.159 ( -4.851 -5.330 -0.626) 7.234 2.159 ( 4.851 -5.330 0.626) 7.234 2.383 ( -2.925 4.117 -4.043) 6.469 2.383 ( 2.925 4.117 4.043) 6.469 2.483 ( 0.354 0.726 -0.816) 1.148 2.483 ( -0.354 0.726 0.816) 1.148 2.576 ( -1.648 -6.786 -2.464) 7.405 2.576 ( 1.648 -6.786 2.464) 7.405 2.759 ( 0.134 0.361 -3.021) 3.046 2.759 ( -0.134 0.361 3.021) 3.046 2.895 ( -1.436 2.291 -5.022) 5.704 2.895 ( 1.436 2.291 5.022) 5.704 2.954 ( 1.940 -2.068 -5.191) 5.915 2.954 ( -1.940 -2.068 5.191) 5.915 3.185 ( -5.155 3.415 -0.139) 6.185 3.185 ( 5.155 3.415 0.139) 6.185 3.250 ( -4.877 -1.925 -0.041) 5.244 3.250 ( 4.877 -1.925 0.041) 5.244 3.350 ( 0.058 4.947 -6.467) 8.143 3.350 ( -0.058 4.947 6.467) 8.143 3.433 ( -0.956 -2.705 -4.162) 5.055 3.433 ( 0.956 -2.705 4.162) 5.055 3.522 ( -0.499 -1.940 -9.968) 10.167 3.522 ( 0.499 -1.940 9.968) 10.167 3.599 ( -1.043 -3.636 -11.245) 11.864 3.599 ( 1.043 -3.636 11.245) 11.864 3.821 ( -1.760 9.225 -4.977) 10.628 3.821 ( 1.760 9.225 4.977) 10.628 3.952 ( -0.607 -1.305 -1.710) 2.235 3.952 ( 0.607 -1.305 1.710) 2.235 4.088 ( -1.637 0.838 -3.811) 4.231 4.088 ( 1.637 0.838 3.811) 4.231 4.112 ( -1.781 -0.731 -4.608) 4.994 4.112 ( 1.781 -0.731 4.608) 4.994 4.318 ( -0.353 1.595 -2.113) 2.671 4.318 ( 0.353 1.595 2.113) 2.671 4.544 ( -1.710 2.258 -1.067) 3.026 4.544 ( 1.710 2.258 1.067) 3.026 4.698 ( -0.257 -1.969 -1.804) 2.683 4.698 ( 0.257 -1.969 1.804) 2.683 4.804 ( 0.322 -4.461 -4.332) 6.226 4.804 ( -0.322 -4.461 4.332) 6.226 4.994 ( -1.610 7.749 -1.448) 8.046 4.994 ( 1.610 7.749 1.448) 8.046 5.133 ( 0.050 -5.002 -1.787) 5.312 5.133 ( -0.050 -5.002 1.787) 5.312 5.540 ( -2.929 4.280 -1.437) 5.382 5.540 ( 2.929 4.280 1.437) 5.382 5.655 ( -4.165 -2.796 -1.641) 5.278 5.655 ( 4.165 -2.796 1.641) 5.278 5.750 ( 3.074 4.033 -2.457) 5.636 5.750 ( -3.074 4.033 2.457) 5.636 5.821 ( -5.080 -2.526 0.418) 5.688 5.821 ( 5.080 -2.526 -0.418) 5.688 5.970 ( -0.310 -0.714 -1.458) 1.653 5.970 ( 0.310 -0.714 1.458) 1.653 6.086 ( -1.033 -1.723 -1.631) 2.588 6.086 ( 1.033 -1.723 1.631) 2.588 6.507 ( 1.960 1.009 -4.716) 5.206 6.507 ( -1.960 1.009 4.716) 5.206 6.603 ( 2.397 -2.596 -7.430) 8.227 6.603 ( -2.397 -2.596 7.430) 8.227 8.971 ( -0.064 -0.554 -0.633) 0.843 8.971 ( 0.064 -0.554 0.633) 0.843 9.153 ( 0.080 -0.068 -0.229) 0.251 9.153 ( -0.080 -0.068 0.229) 0.251 9.402 ( -0.234 -0.123 -1.197) 1.226 9.402 ( 0.234 -0.123 1.197) 1.226 9.507 ( 0.243 0.002 -1.127) 1.153 9.507 ( -0.243 0.002 1.127) 1.153 10.250 ( 0.191 0.426 -1.427) 1.502 10.250 ( -0.191 0.426 1.427) 1.502 10.445 ( 1.123 -0.017 -1.555) 1.918 10.445 ( -1.123 -0.017 1.555) 1.918 11.835 ( 0.188 0.126 -0.520) 0.567 11.835 ( -0.188 0.126 0.520) 0.567 11.976 ( 0.550 0.569 -0.579) 0.980 11.976 ( -0.550 0.569 0.579) 0.980 13.327 ( 1.062 0.515 -0.492) 1.279 13.327 ( -1.062 0.515 0.492) 1.279 13.358 ( 0.449 -0.651 -0.577) 0.979 13.358 ( -0.449 -0.651 0.577) 0.979 14.636 ( 0.682 0.462 -0.715) 1.091 14.636 ( -0.682 0.462 0.715) 1.091 14.714 ( 0.633 0.429 -0.897) 1.179 14.714 ( -0.633 0.429 0.897) 1.179 14.990 ( 0.471 -0.108 -2.017) 2.074 14.990 ( -0.471 -0.108 2.017) 2.074 15.030 ( 0.737 0.441 -0.437) 0.963 15.030 ( -0.737 0.441 0.437) 0.963 15.243 ( -0.638 -1.007 -0.188) 1.207 15.243 ( 0.638 -1.007 0.188) 1.207 15.481 ( 0.160 -0.845 -1.367) 1.615 15.481 ( -0.160 -0.845 1.367) 1.615 16.325 ( -0.273 -0.043 -0.072) 0.285 16.325 ( 0.273 -0.043 0.072) 0.285 16.388 ( -0.164 0.558 -0.186) 0.611 16.388 ( 0.164 0.558 0.186) 0.611 17.577 ( 0.179 0.070 -0.452) 0.491 17.577 ( -0.179 0.070 0.452) 0.491 17.616 ( 0.130 -0.504 -0.419) 0.668 17.616 ( -0.130 -0.504 0.419) 0.668 20.792 ( -0.388 0.367 -0.358) 0.643 20.792 ( 0.388 0.367 0.358) 0.643 20.913 ( -0.897 -0.629 0.183) 1.111 20.913 ( 0.897 -0.629 -0.183) 1.111 25.104 ( -1.301 -1.813 -0.643) 2.322 25.104 ( 1.301 -1.813 0.643) 2.322 25.212 ( 0.986 -2.458 -1.164) 2.893 25.212 ( -0.986 -2.458 1.164) 2.893 28.355 ( 0.059 0.329 -0.484) 0.588 28.355 ( -0.059 0.329 0.484) 0.588 28.363 ( 0.304 -0.434 -0.501) 0.729 28.363 ( -0.304 -0.434 0.501) 0.729 29.668 ( -0.236 0.292 -0.223) 0.437 29.668 ( 0.236 0.292 0.223) 0.437 29.789 ( -0.133 -0.364 -0.437) 0.584 29.789 ( 0.133 -0.364 0.437) 0.584 32.067 ( -0.030 0.483 -0.400) 0.628 32.067 ( 0.030 0.483 0.400) 0.628 32.289 ( 0.006 1.158 -0.583) 1.296 32.289 ( -0.006 1.158 0.583) 1.296 32.542 ( -0.818 3.384 -2.430) 4.246 32.542 ( 0.818 3.384 2.430) 4.246 32.647 ( -0.288 -2.312 -2.503) 3.419 32.647 ( 0.288 -2.312 2.503) 3.419 32.922 ( -0.252 1.470 -1.251) 1.946 32.922 ( 0.252 1.470 1.251) 1.946 33.058 ( -0.423 -2.498 -0.759) 2.644 33.058 ( 0.423 -2.498 0.759) 2.644 34.042 ( 4.791 7.304 -9.792) 13.122 34.042 ( -4.791 7.304 9.792) 13.122 34.165 ( 5.792 -5.140 -9.700) 12.412 34.165 ( -5.792 -5.140 9.700) 12.412 ======================= Grid point 151 (68/70) ======================= q-point: ( 0.17 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( -2.828 2.252 1.907) 4.087 1.458 ( -1.877 -2.623 -0.632) 3.287 1.631 ( -9.356 2.142 0.010) 9.598 1.665 ( -8.244 -1.309 1.579) 8.495 1.746 ( -5.257 9.658 -1.999) 11.176 1.824 ( -3.347 1.136 -0.265) 3.544 1.827 ( -2.425 4.996 0.826) 5.614 1.911 ( 4.391 3.178 -0.059) 5.421 2.004 ( -6.582 -5.800 2.719) 9.185 2.049 ( 1.589 -3.246 -2.077) 4.168 2.141 ( 3.986 3.916 -1.046) 5.685 2.197 ( 3.090 -1.440 -2.485) 4.218 2.323 ( -3.198 5.828 -1.957) 6.930 2.411 ( 0.570 2.614 2.531) 3.683 2.442 ( -4.654 -3.515 1.403) 5.998 2.472 ( -0.488 -2.099 -0.306) 2.176 2.578 ( 1.424 -2.199 1.325) 2.936 2.644 ( 0.437 -6.745 1.062) 6.842 2.755 ( 1.572 4.725 -1.709) 5.265 2.804 ( 7.031 3.512 -3.072) 8.438 2.864 ( 0.571 2.409 -1.743) 3.028 2.926 ( -0.719 -0.194 2.274) 2.393 2.981 ( 1.618 -1.623 4.829) 5.345 3.008 ( 2.728 -2.486 -1.578) 4.013 3.118 ( -1.703 3.967 3.138) 5.337 3.195 ( -0.069 -2.875 2.436) 3.769 3.254 ( -1.157 2.588 0.908) 2.977 3.295 ( -2.184 1.957 -5.059) 5.848 3.315 ( 0.885 0.593 -3.810) 3.956 3.349 ( -0.761 -4.843 1.041) 5.012 3.416 ( 1.312 4.629 -6.186) 7.837 3.478 ( 1.145 2.170 1.205) 2.734 3.538 ( 8.141 -1.989 -2.053) 8.628 3.604 ( 1.174 2.597 -2.530) 3.810 3.618 ( 4.911 -1.878 5.542) 7.640 3.647 ( 1.940 -3.089 1.890) 4.109 3.813 ( 1.657 4.444 7.488) 8.864 3.875 ( -1.630 2.471 0.172) 2.965 3.906 ( -1.880 -1.786 -5.513) 6.093 3.924 ( -1.018 -0.845 -2.585) 2.904 4.044 ( 1.185 2.692 -1.162) 3.162 4.090 ( 0.743 -0.858 1.404) 1.805 4.150 ( 2.183 0.574 1.386) 2.649 4.162 ( 2.606 -0.469 0.198) 2.655 4.317 ( 0.618 4.039 -0.254) 4.094 4.360 ( 4.026 0.074 1.724) 4.381 4.492 ( -3.404 4.558 0.676) 5.729 4.553 ( -1.520 -0.770 1.969) 2.604 4.683 ( -0.259 0.336 -0.861) 0.960 4.703 ( -0.338 -1.704 1.204) 2.113 4.775 ( -1.206 -1.083 -2.517) 2.994 4.827 ( 0.605 -5.881 -0.721) 5.955 4.949 ( -2.096 4.706 -0.909) 5.231 5.018 ( -0.267 7.529 1.942) 7.780 5.057 ( -5.769 -5.184 -0.180) 7.759 5.138 ( -1.863 -2.982 -0.543) 3.557 5.367 ( -12.060 4.928 0.532) 13.039 5.439 ( -12.521 3.103 -1.026) 12.940 5.475 ( -11.686 -4.988 -0.585) 12.719 5.537 ( -9.571 -5.803 -1.156) 11.252 5.755 ( 2.289 3.662 -0.072) 4.319 5.792 ( 1.362 4.357 -0.223) 4.571 5.813 ( 0.117 1.240 0.821) 1.492 5.869 ( -1.554 -0.680 1.507) 2.269 6.001 ( 4.862 0.797 -0.196) 4.931 6.033 ( 4.172 -1.316 -3.570) 5.647 6.094 ( 0.943 -1.875 1.340) 2.490 6.133 ( 2.134 -3.779 0.574) 4.377 6.551 ( 2.774 2.424 6.874) 7.799 6.577 ( 6.905 0.701 -2.074) 7.244 6.647 ( 3.280 -2.807 3.125) 5.330 6.663 ( 7.168 -3.818 -6.588) 10.458 8.978 ( 1.172 -0.157 -0.460) 1.269 8.986 ( 1.211 -0.978 0.538) 1.646 9.157 ( 0.184 0.067 0.308) 0.365 9.161 ( 0.456 -0.459 0.018) 0.647 9.396 ( 0.736 0.753 -1.387) 1.741 9.415 ( 0.942 -1.144 -0.168) 1.492 9.515 ( 1.087 0.936 0.891) 1.689 9.531 ( 1.501 -0.693 0.296) 1.680 10.244 ( -0.110 0.854 -0.257) 0.898 10.256 ( -0.151 -0.259 1.273) 1.308 10.436 ( -0.259 1.435 0.841) 1.683 10.461 ( 1.251 -1.070 -1.661) 2.338 11.799 ( -2.790 0.876 0.340) 2.944 11.815 ( -2.511 -0.764 0.451) 2.663 11.985 ( 1.177 1.213 -0.094) 1.693 11.996 ( 1.503 0.063 -0.691) 1.655 13.299 ( -1.810 0.588 0.552) 1.982 13.311 ( -2.005 -0.638 0.548) 2.174 13.362 ( 1.080 0.712 -0.689) 1.466 13.379 ( 1.075 -0.956 -0.853) 1.672 14.630 ( -0.318 1.446 1.844) 2.365 14.649 ( 0.394 -0.451 1.452) 1.570 14.731 ( 2.262 1.471 -1.215) 2.959 14.748 ( 2.942 -0.305 -1.391) 3.269 14.974 ( -0.913 0.580 0.873) 1.390 14.987 ( -0.624 -0.625 0.606) 1.071 15.046 ( 2.367 0.891 -1.625) 3.006 15.058 ( 2.370 -0.291 -1.258) 2.699 15.231 ( -0.725 0.270 0.368) 0.857 15.255 ( 0.354 -2.119 0.619) 2.236 15.449 ( -2.399 0.661 0.062) 2.489 15.480 ( -1.064 -2.546 0.298) 2.775 16.288 ( -2.926 0.709 -0.148) 3.014 16.298 ( -2.578 -0.337 -0.230) 2.610 16.390 ( 0.035 0.644 0.015) 0.645 16.395 ( 0.051 0.107 0.112) 0.163 17.568 ( -0.704 0.452 0.262) 0.876 17.575 ( -0.374 -0.270 -0.086) 0.470 17.611 ( -0.366 -0.257 -0.043) 0.450 17.616 ( -0.196 -0.735 -0.173) 0.780 20.758 ( -1.895 1.350 0.264) 2.341 20.787 ( -1.431 -1.595 -0.041) 2.143 20.930 ( 2.364 0.792 0.000) 2.493 20.950 ( 2.545 -1.211 -0.319) 2.837 25.090 ( -0.055 1.015 0.313) 1.064 25.143 ( 2.005 -4.157 1.295) 4.794 25.180 ( -1.159 0.656 0.513) 1.427 25.252 ( 2.473 -6.515 -2.109) 7.281 28.344 ( -0.782 0.381 0.114) 0.878 28.350 ( -0.755 0.039 -0.077) 0.760 28.361 ( -0.144 -0.152 0.371) 0.425 28.366 ( 0.040 -0.472 -0.426) 0.637 29.671 ( 0.602 0.755 -0.100) 0.971 29.680 ( 0.834 -0.173 0.162) 0.867 29.791 ( 0.563 0.098 -0.255) 0.626 29.800 ( 0.772 -0.903 0.191) 1.203 32.045 ( -1.767 0.987 -0.397) 2.063 32.052 ( -1.680 0.350 0.345) 1.750 32.309 ( 2.125 1.501 0.106) 2.604 32.317 ( 2.333 0.757 0.558) 2.515 32.515 ( -0.399 3.891 -0.703) 3.975 32.572 ( 0.556 -0.744 1.414) 1.692 32.635 ( 1.124 1.271 -0.758) 1.858 32.680 ( 1.269 -2.189 -0.725) 2.633 32.885 ( -2.555 1.516 -1.051) 3.151 32.906 ( -2.271 -0.039 -0.024) 2.271 33.018 ( -3.206 -1.051 -0.250) 3.383 33.038 ( -3.249 -2.711 0.399) 4.250 34.000 ( -2.928 7.441 8.236) 11.479 34.093 ( 0.804 5.428 -1.963) 5.828 34.130 ( 1.611 -2.104 2.728) 3.804 34.243 ( 5.686 -6.264 -7.867) 11.552 ======================= Grid point 152 (69/70) ======================= q-point: ( 0.33 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -3.085 0.553 2.737) 4.161 1.357 ( -6.020 1.380 0.755) 6.222 1.458 ( -8.265 1.196 0.439) 8.363 1.515 ( -7.206 -3.598 -4.521) 9.237 1.667 ( -2.068 5.745 0.103) 6.107 1.753 ( -3.524 -1.741 0.539) 3.968 1.805 ( -1.482 3.194 1.302) 3.754 1.890 ( -6.388 -3.581 1.937) 7.575 2.038 ( 8.363 1.034 -0.114) 8.427 2.077 ( 3.499 -1.407 -0.912) 3.880 2.196 ( 3.021 6.536 -2.147) 7.513 2.269 ( -0.032 3.024 -0.856) 3.143 2.294 ( 1.644 -0.429 1.477) 2.251 2.352 ( -2.051 -3.438 1.229) 4.188 2.427 ( -1.489 -0.236 1.698) 2.270 2.472 ( -2.133 -4.282 2.453) 5.375 2.592 ( 2.478 2.550 -0.539) 3.596 2.661 ( 3.228 -4.457 -0.766) 5.557 2.760 ( -1.545 5.715 -1.819) 6.193 2.848 ( -2.715 1.708 0.094) 3.209 2.906 ( 0.538 1.188 -3.717) 3.939 2.922 ( 1.988 7.717 1.212) 8.060 3.026 ( 3.337 -7.246 -3.698) 8.793 3.051 ( 2.744 -2.284 5.294) 6.386 3.144 ( 2.740 5.351 -0.083) 6.012 3.184 ( -3.269 3.745 -3.593) 6.134 3.219 ( -3.697 -0.558 2.640) 4.577 3.274 ( 3.114 -4.613 2.745) 6.206 3.315 ( 2.321 2.362 0.962) 3.448 3.374 ( 1.484 -1.529 -2.521) 3.301 3.386 ( -2.056 0.470 -3.736) 4.290 3.478 ( 0.862 -4.067 -2.228) 4.717 3.521 ( -5.841 3.259 2.170) 7.032 3.566 ( -2.096 -1.288 -2.109) 3.240 3.738 ( -6.038 3.331 -3.605) 7.782 3.758 ( -2.958 1.261 -6.175) 6.962 3.795 ( 11.352 8.394 4.243) 14.742 3.845 ( 4.795 -1.193 3.534) 6.075 3.929 ( 0.594 -1.782 2.923) 3.474 4.011 ( 10.787 -5.834 6.307) 13.791 4.053 ( -1.372 1.108 -2.276) 2.879 4.085 ( -0.971 0.122 -3.285) 3.428 4.214 ( 2.063 4.562 2.479) 5.586 4.236 ( 3.289 0.396 -0.767) 3.401 4.353 ( 4.926 5.890 -0.240) 7.682 4.446 ( -1.253 2.509 1.807) 3.336 4.475 ( 5.947 -0.105 3.395) 6.849 4.536 ( -0.472 -1.172 1.729) 2.141 4.659 ( -2.932 2.584 -0.597) 3.953 4.694 ( -1.974 -0.319 -0.458) 2.051 4.732 ( -1.775 1.859 -0.733) 2.673 4.801 ( -3.035 -5.286 -2.740) 6.683 4.910 ( -3.112 0.062 -0.752) 3.203 4.937 ( -2.702 -1.913 -2.958) 4.440 5.008 ( -2.733 1.382 3.408) 4.582 5.063 ( -5.464 -0.465 0.551) 5.511 5.167 ( -8.199 1.517 1.113) 8.412 5.251 ( -8.536 -1.811 -3.017) 9.233 5.289 ( -5.290 -2.164 1.057) 5.813 5.370 ( -7.402 -6.372 -1.586) 9.895 5.780 ( 0.479 5.842 -1.839) 6.143 5.800 ( 0.785 4.553 0.240) 4.626 5.826 ( -0.176 1.868 1.022) 2.137 5.848 ( -0.674 0.940 1.415) 1.828 6.061 ( 2.075 -0.113 -2.520) 3.267 6.074 ( 1.373 0.828 0.435) 1.662 6.108 ( -0.185 -3.725 3.071) 4.832 6.151 ( 0.326 -4.726 -2.013) 5.147 6.642 ( 3.278 2.539 4.836) 6.370 6.700 ( 5.350 -1.392 1.952) 5.863 6.708 ( 2.981 -1.138 -3.402) 4.664 6.755 ( 4.288 -3.897 -2.269) 6.223 9.005 ( 1.690 -0.055 -0.105) 1.694 9.014 ( 1.361 -1.033 0.387) 1.752 9.153 ( -0.710 -0.158 0.381) 0.821 9.159 ( -0.581 -0.794 -0.452) 1.083 9.419 ( 2.145 0.887 -0.855) 2.474 9.439 ( 1.553 -1.045 -0.567) 1.956 9.542 ( 1.100 0.665 0.968) 1.609 9.554 ( 0.766 -0.537 0.298) 0.982 10.244 ( 0.289 0.771 -0.371) 0.903 10.256 ( -0.549 -0.364 1.293) 1.451 10.445 ( 0.695 1.656 0.728) 1.938 10.469 ( 0.466 -0.862 -1.449) 1.749 11.756 ( -1.683 0.693 -0.132) 1.825 11.769 ( -2.409 -0.672 0.655) 2.585 12.005 ( 0.927 1.113 -0.155) 1.457 12.014 ( 0.633 0.215 -0.358) 0.758 13.274 ( -1.024 0.275 0.223) 1.083 13.280 ( -1.409 -0.420 0.361) 1.514 13.375 ( 0.628 0.450 -0.410) 0.875 13.386 ( 0.171 -0.656 -0.597) 0.903 14.644 ( 0.906 1.896 1.185) 2.413 14.665 ( 0.482 -0.063 0.896) 1.019 14.763 ( 1.640 1.498 -0.714) 2.333 14.785 ( 1.110 -0.576 -0.132) 1.257 14.975 ( 0.598 0.575 0.461) 0.949 14.986 ( 0.527 -0.453 -0.637) 0.943 15.087 ( 2.776 0.545 -1.845) 3.378 15.094 ( 1.676 -0.255 0.156) 1.703 15.222 ( -0.198 1.342 0.100) 1.360 15.257 ( -0.699 -1.730 0.576) 1.952 15.408 ( -1.402 0.245 -0.359) 1.468 15.449 ( -2.488 -3.573 0.921) 4.450 16.238 ( -2.079 0.865 -0.091) 2.254 16.248 ( -2.332 -0.225 -0.304) 2.362 16.385 ( -0.485 0.471 0.092) 0.682 16.388 ( -0.635 0.127 0.021) 0.648 17.558 ( -0.403 0.582 0.290) 0.765 17.565 ( -0.509 -0.138 -0.115) 0.540 17.603 ( -0.324 -0.346 -0.080) 0.481 17.608 ( -0.459 -0.775 -0.132) 0.911 20.736 ( -0.596 0.748 0.158) 0.970 20.758 ( -1.495 -1.516 -0.007) 2.129 20.975 ( 2.139 0.582 0.003) 2.217 20.988 ( 1.566 -0.773 -0.246) 1.763 25.101 ( 0.894 3.097 0.706) 3.299 25.147 ( -0.988 3.029 -0.485) 3.223 25.209 ( 2.242 -6.927 2.679) 7.758 25.272 ( 0.989 -8.993 -2.898) 9.500 28.332 ( -0.587 0.427 0.237) 0.763 28.336 ( -0.631 0.170 -0.189) 0.680 28.359 ( -0.263 -0.280 0.474) 0.610 28.362 ( -0.141 -0.508 -0.538) 0.753 29.685 ( 0.838 0.817 0.060) 1.172 29.694 ( 0.552 -0.091 -0.011) 0.560 29.804 ( 0.864 -0.057 -0.107) 0.873 29.814 ( 0.491 -1.046 0.058) 1.157 32.014 ( -1.161 1.318 -0.358) 1.793 32.022 ( -1.560 0.517 0.414) 1.694 32.352 ( 1.939 1.600 0.563) 2.576 32.361 ( 1.562 0.763 0.880) 1.948 32.528 ( 2.135 3.599 -0.353) 4.200 32.596 ( 2.076 -3.282 -0.084) 3.884 32.654 ( -0.248 2.386 -1.267) 2.713 32.676 ( -0.511 0.346 -0.451) 0.764 32.838 ( -1.724 0.525 -0.567) 1.889 32.861 ( -1.936 -1.861 0.046) 2.686 32.948 ( -4.175 -0.407 -0.143) 4.197 32.959 ( -4.496 -1.433 -0.081) 4.719 34.021 ( -0.113 7.763 9.715) 12.437 34.092 ( 0.448 4.497 -2.376) 5.106 34.192 ( 3.044 -1.512 1.835) 3.863 34.277 ( 2.215 -6.162 -7.722) 10.124 ======================= Grid point 153 (70/70) ======================= q-point: ( 0.50 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( -0.892 1.369 -4.468) 4.757 1.334 ( 0.892 1.369 4.468) 4.757 1.381 ( -2.244 -0.750 -6.279) 6.710 1.381 ( 2.244 -0.750 6.279) 6.710 1.689 ( -0.040 1.552 -5.794) 5.999 1.689 ( 0.040 1.552 5.794) 5.999 1.807 ( -2.099 -2.688 -1.301) 3.650 1.807 ( 2.099 -2.688 1.301) 3.650 2.151 ( -2.484 3.181 -2.652) 4.829 2.151 ( 2.484 3.181 2.652) 4.829 2.204 ( 4.617 1.933 -3.039) 5.856 2.204 ( -4.617 1.933 3.039) 5.856 2.349 ( -2.797 -1.169 -2.572) 3.975 2.349 ( 2.797 -1.169 2.572) 3.975 2.420 ( 0.380 -3.377 -1.382) 3.669 2.420 ( -0.380 -3.377 1.382) 3.669 2.677 ( -4.750 4.152 -2.024) 6.626 2.677 ( 4.750 4.152 2.024) 6.626 2.757 ( -3.465 -2.114 -1.287) 4.258 2.757 ( 3.465 -2.114 1.287) 4.258 2.917 ( 2.904 6.976 -4.902) 9.007 2.917 ( -2.904 6.976 4.902) 9.007 3.090 ( -0.415 -6.541 -1.749) 6.784 3.090 ( 0.415 -6.541 1.749) 6.784 3.137 ( -1.273 3.397 -0.596) 3.676 3.137 ( 1.273 3.397 0.596) 3.676 3.256 ( -3.546 -0.257 -5.107) 6.222 3.256 ( 3.546 -0.257 5.107) 6.222 3.355 ( -1.401 0.242 -4.431) 4.654 3.355 ( 1.401 0.242 4.431) 4.654 3.398 ( 2.702 -0.008 -1.960) 3.338 3.398 ( -2.702 -0.008 1.960) 3.338 3.551 ( 2.245 -2.301 -3.301) 4.608 3.551 ( -2.245 -2.301 3.301) 4.608 3.659 ( -0.677 1.030 -0.267) 1.261 3.659 ( 0.677 1.030 0.267) 1.261 3.928 ( -1.919 0.834 -2.069) 2.942 3.928 ( 1.919 0.834 2.069) 2.942 3.997 ( 0.289 3.683 -1.859) 4.136 3.997 ( -0.289 3.683 1.859) 4.136 4.086 ( -4.613 5.850 -1.611) 7.622 4.086 ( 4.613 5.850 1.611) 7.622 4.253 ( -1.429 -2.289 -1.350) 3.017 4.253 ( 1.429 -2.289 1.350) 3.017 4.433 ( -0.982 3.975 -0.105) 4.096 4.433 ( 0.982 3.975 0.105) 4.096 4.567 ( -2.848 2.536 -1.432) 4.073 4.567 ( 2.848 2.536 1.432) 4.073 4.618 ( -2.757 -2.793 -3.214) 5.073 4.618 ( 2.757 -2.793 3.214) 5.073 4.719 ( -1.618 -0.167 -1.328) 2.100 4.719 ( 1.618 -0.167 1.328) 2.100 4.912 ( 0.292 -0.316 -1.312) 1.381 4.912 ( -0.292 -0.316 1.312) 1.381 4.980 ( 0.784 -3.967 -2.938) 4.998 4.980 ( -0.784 -3.967 2.938) 4.998 5.128 ( -1.686 -1.063 -4.442) 4.869 5.128 ( 1.686 -1.063 4.442) 4.869 5.274 ( -1.682 -2.577 -1.815) 3.573 5.274 ( 1.682 -2.577 1.815) 3.573 5.789 ( 1.397 3.857 -1.494) 4.366 5.789 ( -1.397 3.857 1.494) 4.366 5.841 ( 0.878 3.667 -1.560) 4.081 5.841 ( -0.878 3.667 1.560) 4.081 6.076 ( 1.523 -0.268 -3.297) 3.642 6.076 ( -1.523 -0.268 3.297) 3.642 6.133 ( -0.433 -4.171 -3.657) 5.564 6.133 ( 0.433 -4.171 3.657) 5.564 6.704 ( -0.842 0.140 -3.531) 3.633 6.704 ( 0.842 0.140 3.531) 3.633 6.775 ( 0.528 -2.113 -3.771) 4.355 6.775 ( -0.528 -2.113 3.771) 4.355 9.027 ( -0.070 -0.464 -0.168) 0.499 9.027 ( 0.070 -0.464 0.168) 0.499 9.147 ( -0.017 -0.661 -0.718) 0.976 9.147 ( 0.017 -0.661 0.718) 0.976 9.448 ( -0.663 0.058 -0.087) 0.671 9.448 ( 0.663 0.058 0.087) 0.671 9.559 ( -0.175 -0.069 -0.423) 0.463 9.559 ( 0.175 -0.069 0.423) 0.463 10.250 ( 0.589 0.233 -0.824) 1.039 10.250 ( -0.589 0.233 0.824) 1.039 10.462 ( -0.521 0.418 -1.072) 1.263 10.462 ( 0.521 0.418 1.072) 1.263 11.744 ( 0.550 -0.010 -0.522) 0.759 11.744 ( -0.550 -0.010 0.522) 0.759 12.016 ( -0.197 0.665 -0.082) 0.699 12.016 ( 0.197 0.665 0.082) 0.699 13.266 ( 0.069 -0.078 -0.115) 0.156 13.266 ( -0.069 -0.078 0.115) 0.156 13.383 ( 0.046 -0.114 -0.598) 0.611 13.383 ( -0.046 -0.114 0.598) 0.611 14.665 ( -0.698 1.360 -0.193) 1.541 14.665 ( 0.698 1.360 0.193) 1.541 14.784 ( 0.351 0.106 -0.925) 0.995 14.784 ( -0.351 0.106 0.925) 0.995 14.989 ( -0.191 0.158 -0.584) 0.635 14.989 ( 0.191 0.158 0.584) 0.635 15.112 ( 0.487 -0.148 -1.455) 1.541 15.112 ( -0.487 -0.148 1.455) 1.541 15.234 ( 0.906 1.132 -2.945) 3.282 15.234 ( -0.906 1.132 2.945) 3.282 15.410 ( 1.429 -2.767 -4.355) 5.354 15.410 ( -1.429 -2.767 4.355) 5.354 16.221 ( -0.196 0.336 -0.256) 0.465 16.221 ( 0.196 0.336 0.256) 0.465 16.380 ( -0.004 0.296 -0.167) 0.340 16.380 ( 0.004 0.296 0.167) 0.340 17.558 ( -0.082 0.333 -0.391) 0.520 17.558 ( 0.082 0.333 0.391) 0.520 17.601 ( -0.152 -0.634 -0.027) 0.653 17.601 ( 0.152 -0.634 0.027) 0.653 20.738 ( -0.542 -0.469 -0.144) 0.731 20.738 ( 0.542 -0.469 0.144) 0.731 20.999 ( -0.180 -0.086 -0.291) 0.352 20.999 ( 0.180 -0.086 0.291) 0.352 25.124 ( 0.627 3.986 -3.784) 5.532 25.124 ( -0.627 3.986 3.784) 5.532 25.256 ( 0.880 -9.053 -6.858) 11.391 25.256 ( -0.880 -9.053 6.858) 11.391 28.328 ( 0.011 0.350 -0.363) 0.504 28.328 ( -0.011 0.350 0.363) 0.504 28.358 ( 0.056 -0.443 -0.570) 0.724 28.358 ( -0.056 -0.443 0.570) 0.724 29.697 ( -0.232 0.435 -0.152) 0.516 29.697 ( 0.232 0.435 0.152) 0.516 29.816 ( -0.332 -0.661 0.014) 0.740 29.816 ( 0.332 -0.661 -0.014) 0.740 32.005 ( 0.313 1.011 -0.401) 1.132 32.005 ( -0.313 1.011 0.401) 1.132 32.375 ( 0.024 1.220 -0.096) 1.224 32.375 ( -0.024 1.220 0.096) 1.224 32.584 ( -2.169 2.507 -2.463) 4.130 32.584 ( 2.169 2.507 2.463) 4.130 32.658 ( -1.333 -1.319 -1.142) 2.196 32.658 ( 1.333 -1.319 1.142) 2.196 32.834 ( -1.267 -0.553 -0.430) 1.448 32.834 ( 1.267 -0.553 0.430) 1.448 32.905 ( -0.543 -0.670 -0.825) 1.193 32.905 ( 0.543 -0.670 0.825) 1.193 34.070 ( 1.484 6.935 -11.430) 13.452 34.070 ( -1.484 6.935 11.430) 13.452 34.251 ( 0.005 -4.663 -7.857) 9.136 34.251 ( -0.005 -4.663 7.857) 9.136 =================== 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 3/31104 10.0 32.822 39.996 40.180 0.000 4.440 0.000 3/31104 20.0 4.835 5.979 6.503 0.000 0.888 0.000 3/31104 30.0 2.149 2.591 2.917 0.000 0.432 0.000 3/31104 40.0 1.370 1.614 1.845 0.000 0.283 0.000 3/31104 50.0 1.025 1.183 1.360 0.000 0.212 0.000 3/31104 60.0 0.834 0.944 1.087 0.000 0.170 0.000 3/31104 70.0 0.711 0.793 0.912 0.000 0.142 0.000 3/31104 80.0 0.624 0.687 0.790 0.000 0.122 0.000 3/31104 90.0 0.559 0.609 0.700 0.000 0.106 0.000 3/31104 100.0 0.509 0.548 0.632 0.000 0.093 0.000 3/31104 110.0 0.468 0.500 0.577 0.000 0.082 0.000 3/31104 120.0 0.435 0.461 0.534 0.000 0.073 0.000 3/31104 130.0 0.407 0.429 0.498 0.000 0.065 0.000 3/31104 140.0 0.384 0.402 0.468 0.000 0.058 0.000 3/31104 150.0 0.364 0.379 0.443 0.000 0.052 0.000 3/31104 160.0 0.347 0.359 0.422 0.000 0.047 0.000 3/31104 170.0 0.332 0.342 0.403 0.000 0.042 0.000 3/31104 180.0 0.319 0.328 0.387 0.000 0.039 0.000 3/31104 190.0 0.308 0.315 0.373 0.000 0.035 0.000 3/31104 200.0 0.298 0.303 0.361 0.000 0.032 0.000 3/31104 210.0 0.289 0.293 0.350 0.000 0.029 0.000 3/31104 220.0 0.281 0.284 0.340 0.000 0.027 0.000 3/31104 230.0 0.274 0.276 0.331 0.000 0.025 0.000 3/31104 240.0 0.267 0.268 0.323 0.000 0.023 0.000 3/31104 250.0 0.261 0.262 0.315 0.000 0.022 0.000 3/31104 260.0 0.256 0.256 0.309 0.000 0.020 0.000 3/31104 270.0 0.251 0.250 0.303 0.000 0.019 0.000 3/31104 280.0 0.246 0.245 0.297 0.000 0.018 0.000 3/31104 290.0 0.242 0.240 0.291 0.000 0.017 0.000 3/31104 300.0 0.237 0.236 0.286 0.000 0.016 0.000 3/31104 310.0 0.234 0.232 0.282 0.000 0.015 0.000 3/31104 320.0 0.230 0.228 0.277 0.000 0.014 0.000 3/31104 330.0 0.226 0.224 0.273 0.000 0.014 0.000 3/31104 340.0 0.223 0.221 0.269 0.000 0.013 0.000 3/31104 350.0 0.220 0.218 0.265 0.000 0.012 0.000 3/31104 360.0 0.217 0.214 0.262 0.000 0.012 0.000 3/31104 370.0 0.214 0.211 0.258 0.000 0.011 0.000 3/31104 380.0 0.211 0.208 0.255 0.000 0.011 0.000 3/31104 390.0 0.208 0.206 0.251 0.000 0.011 0.000 3/31104 400.0 0.205 0.203 0.248 0.000 0.010 0.000 3/31104 410.0 0.202 0.200 0.245 0.000 0.010 0.000 3/31104 420.0 0.200 0.198 0.242 0.000 0.010 0.000 3/31104 430.0 0.197 0.195 0.239 0.000 0.009 0.000 3/31104 440.0 0.195 0.193 0.236 0.000 0.009 0.000 3/31104 450.0 0.192 0.190 0.233 0.000 0.009 0.000 3/31104 460.0 0.190 0.188 0.231 0.000 0.008 0.000 3/31104 470.0 0.187 0.186 0.228 0.000 0.008 0.000 3/31104 480.0 0.185 0.183 0.225 0.000 0.008 0.000 3/31104 490.0 0.183 0.181 0.223 0.000 0.008 0.000 3/31104 500.0 0.181 0.179 0.220 0.000 0.008 0.000 3/31104 510.0 0.178 0.177 0.218 0.000 0.007 0.000 3/31104 520.0 0.176 0.175 0.215 0.000 0.007 0.000 3/31104 530.0 0.174 0.173 0.213 0.000 0.007 0.000 3/31104 540.0 0.172 0.171 0.210 0.000 0.007 0.000 3/31104 550.0 0.170 0.169 0.208 0.000 0.007 0.000 3/31104 560.0 0.168 0.167 0.206 0.000 0.007 0.000 3/31104 570.0 0.166 0.165 0.203 0.000 0.006 0.000 3/31104 580.0 0.164 0.163 0.201 0.000 0.006 0.000 3/31104 590.0 0.162 0.161 0.199 0.000 0.006 0.000 3/31104 600.0 0.161 0.160 0.197 0.000 0.006 0.000 3/31104 610.0 0.159 0.158 0.195 0.000 0.006 0.000 3/31104 620.0 0.157 0.156 0.193 0.000 0.006 0.000 3/31104 630.0 0.155 0.155 0.191 0.000 0.006 0.000 3/31104 640.0 0.154 0.153 0.189 0.000 0.006 0.000 3/31104 650.0 0.152 0.151 0.187 0.000 0.006 0.000 3/31104 660.0 0.150 0.150 0.185 0.000 0.005 0.000 3/31104 670.0 0.149 0.148 0.183 0.000 0.005 0.000 3/31104 680.0 0.147 0.147 0.181 0.000 0.005 0.000 3/31104 690.0 0.145 0.145 0.179 0.000 0.005 0.000 3/31104 700.0 0.144 0.143 0.177 0.000 0.005 0.000 3/31104 710.0 0.142 0.142 0.175 0.000 0.005 0.000 3/31104 720.0 0.141 0.141 0.174 0.000 0.005 0.000 3/31104 730.0 0.140 0.139 0.172 0.000 0.005 0.000 3/31104 740.0 0.138 0.138 0.170 0.000 0.005 0.000 3/31104 750.0 0.137 0.136 0.168 0.000 0.005 0.000 3/31104 760.0 0.135 0.135 0.167 0.000 0.005 0.000 3/31104 770.0 0.134 0.134 0.165 0.000 0.005 0.000 3/31104 780.0 0.133 0.132 0.164 0.000 0.004 0.000 3/31104 790.0 0.131 0.131 0.162 0.000 0.004 0.000 3/31104 800.0 0.130 0.130 0.160 0.000 0.004 0.000 3/31104 810.0 0.129 0.129 0.159 0.000 0.004 0.000 3/31104 820.0 0.127 0.127 0.157 0.000 0.004 0.000 3/31104 830.0 0.126 0.126 0.156 0.000 0.004 0.000 3/31104 840.0 0.125 0.125 0.155 0.000 0.004 0.000 3/31104 850.0 0.124 0.124 0.153 0.000 0.004 0.000 3/31104 860.0 0.123 0.123 0.152 0.000 0.004 0.000 3/31104 870.0 0.122 0.122 0.150 0.000 0.004 0.000 3/31104 880.0 0.120 0.120 0.149 0.000 0.004 0.000 3/31104 890.0 0.119 0.119 0.148 0.000 0.004 0.000 3/31104 900.0 0.118 0.118 0.146 0.000 0.004 0.000 3/31104 910.0 0.117 0.117 0.145 0.000 0.004 0.000 3/31104 920.0 0.116 0.116 0.144 0.000 0.004 0.000 3/31104 930.0 0.115 0.115 0.142 0.000 0.004 0.000 3/31104 940.0 0.114 0.114 0.141 0.000 0.004 0.000 3/31104 950.0 0.113 0.113 0.140 0.000 0.004 0.000 3/31104 960.0 0.112 0.112 0.139 0.000 0.004 0.000 3/31104 970.0 0.111 0.111 0.138 0.000 0.004 0.000 3/31104 980.0 0.110 0.110 0.136 0.000 0.003 0.000 3/31104 990.0 0.109 0.109 0.135 0.000 0.003 0.000 3/31104 1000.0 0.108 0.108 0.134 0.000 0.003 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m694.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:09:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|