----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:56:19]------------------------- 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: [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.502367500101553 0.000000000000000 0.000000000000000 b 0.000000000000000 10.899586410000000 0.000000000000000 c -0.301915971722317 0.000000000000000 10.395602602426003 Atomic positions (fractional): *1 Sr 0.96863133452022 0.19218506891784 0.98584579128725 87.620 2 Sr 0.03136866547978 0.80781493108216 0.01415420871275 87.620 3 Sr 0.96863133452022 0.30781493108216 0.48584579128725 87.620 4 Sr 0.03136866547978 0.69218506891784 0.51415420871275 87.620 *5 P 0.56444752721251 0.65251456147702 0.79285342479451 30.974 6 P 0.43555247278749 0.34748543852298 0.20714657520549 30.974 *7 P 0.07007600819591 0.01293734323687 0.28284516017309 30.974 8 P 0.92992399180409 0.98706265676312 0.71715483982691 30.974 9 P 0.43555247278749 0.15251456147702 0.70714657520549 30.974 10 P 0.92992399180409 0.51293734323688 0.21715483982691 30.974 11 P 0.07007600819591 0.48706265676312 0.78284516017309 30.974 12 P 0.56444752721251 0.84748543852298 0.29285342479451 30.974 *13 O 0.09939571528885 0.11140560632659 0.66855155963916 15.999 *14 O 0.95919189260672 0.51358783338576 0.36177560258146 15.999 15 O 0.04080810739328 0.48641216661424 0.63822439741854 15.999 *16 O 0.49844679279069 0.74740369541602 0.38661764097577 15.999 17 O 0.95919189260672 0.98641216661424 0.86177560258146 15.999 *18 O 0.01792004843685 0.62272380963571 0.14394696290813 15.999 19 O 0.50155320720931 0.24740369541602 0.11338235902423 15.999 *20 O 0.39678860718678 0.97289238383597 0.33091878459410 15.999 21 O 0.90060428471115 0.88859439367341 0.33144844036084 15.999 22 O 0.50155320720931 0.25259630458398 0.61338235902423 15.999 *23 O 0.53103959314759 0.67352631463882 0.65084302492888 15.999 24 O 0.04080810739328 0.01358783338576 0.13822439741854 15.999 25 O 0.46896040685241 0.17352631463882 0.84915697507112 15.999 26 O 0.98207995156315 0.37727619036429 0.85605303709187 15.999 27 O 0.09939571528885 0.38859439367340 0.16855155963916 15.999 28 O 0.39678860718678 0.52710761616403 0.83091878459410 15.999 29 O 0.98207995156315 0.12272380963571 0.35605303709187 15.999 30 O 0.46896040685241 0.32647368536118 0.34915697507112 15.999 31 O 0.90060428471115 0.61140560632659 0.83144844036084 15.999 32 O 0.60321139281322 0.02710761616403 0.66908121540590 15.999 33 O 0.49844679279069 0.75259630458398 0.88661764097577 15.999 34 O 0.60321139281322 0.47289238383597 0.16908121540590 15.999 35 O 0.01792004843685 0.87727619036429 0.64394696290813 15.999 36 O 0.53103959314759 0.82647368536118 0.15084302492888 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.502367500101553 0.000000000000000 0.000000000000000 b 0.000000000000000 10.899586410000000 0.000000000000000 c -0.301915971722317 0.000000000000000 10.395602602426003 Atomic positions (fractional): *1 Sr 0.96863133452022 0.19218506891784 0.98584579128725 87.620 > 1 2 Sr 0.03136866547978 0.80781493108216 0.01415420871275 87.620 > 2 3 Sr 0.96863133452022 0.30781493108216 0.48584579128725 87.620 > 3 4 Sr 0.03136866547978 0.69218506891784 0.51415420871275 87.620 > 4 *5 P 0.56444752721251 0.65251456147702 0.79285342479451 30.974 > 5 6 P 0.43555247278749 0.34748543852298 0.20714657520549 30.974 > 6 *7 P 0.07007600819591 0.01293734323687 0.28284516017309 30.974 > 7 8 P 0.92992399180409 0.98706265676312 0.71715483982691 30.974 > 8 9 P 0.43555247278749 0.15251456147702 0.70714657520549 30.974 > 9 10 P 0.92992399180409 0.51293734323688 0.21715483982691 30.974 > 10 11 P 0.07007600819591 0.48706265676312 0.78284516017309 30.974 > 11 12 P 0.56444752721251 0.84748543852298 0.29285342479451 30.974 > 12 *13 O 0.09939571528885 0.11140560632659 0.66855155963916 15.999 > 13 *14 O 0.95919189260672 0.51358783338576 0.36177560258146 15.999 > 14 15 O 0.04080810739328 0.48641216661424 0.63822439741854 15.999 > 15 *16 O 0.49844679279069 0.74740369541602 0.38661764097577 15.999 > 16 17 O 0.95919189260672 0.98641216661424 0.86177560258146 15.999 > 17 *18 O 0.01792004843685 0.62272380963571 0.14394696290813 15.999 > 18 19 O 0.50155320720931 0.24740369541602 0.11338235902423 15.999 > 19 *20 O 0.39678860718678 0.97289238383597 0.33091878459410 15.999 > 20 21 O 0.90060428471115 0.88859439367341 0.33144844036084 15.999 > 21 22 O 0.50155320720931 0.25259630458398 0.61338235902423 15.999 > 22 *23 O 0.53103959314759 0.67352631463882 0.65084302492888 15.999 > 23 24 O 0.04080810739328 0.01358783338576 0.13822439741854 15.999 > 24 25 O 0.46896040685241 0.17352631463882 0.84915697507112 15.999 > 25 26 O 0.98207995156315 0.37727619036429 0.85605303709187 15.999 > 26 27 O 0.09939571528885 0.38859439367340 0.16855155963916 15.999 > 27 28 O 0.39678860718678 0.52710761616403 0.83091878459410 15.999 > 28 29 O 0.98207995156315 0.12272380963571 0.35605303709187 15.999 > 29 30 O 0.46896040685241 0.32647368536118 0.34915697507112 15.999 > 30 31 O 0.90060428471115 0.61140560632659 0.83144844036084 15.999 > 31 32 O 0.60321139281322 0.02710761616403 0.66908121540590 15.999 > 32 33 O 0.49844679279069 0.75259630458398 0.88661764097577 15.999 > 33 34 O 0.60321139281322 0.47289238383597 0.16908121540590 15.999 > 34 35 O 0.01792004843685 0.87727619036429 0.64394696290813 15.999 > 35 36 O 0.53103959314759 0.82647368536118 0.15084302492888 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.507102500304658 0.000000000000000 0.000000000000000 b 0.000000000000000 10.899586410000000 0.000000000000000 c -0.301915971722317 0.000000000000000 10.395602602426003 Atomic positions (fractional): *1 Sr 0.32287711150674 0.19218506891784 0.98584579128725 87.620 > 1 2 Sr 0.65621044484007 0.19218506891784 0.98584579128725 87.620 > 1 3 Sr 0.98954377817341 0.19218506891784 0.98584579128725 87.620 > 1 4 Sr 0.01045622182659 0.80781493108216 0.01415420871275 87.620 > 2 5 Sr 0.34378955515993 0.80781493108216 0.01415420871275 87.620 > 2 6 Sr 0.67712288849326 0.80781493108216 0.01415420871275 87.620 > 2 7 Sr 0.32287711150674 0.30781493108216 0.48584579128725 87.620 > 3 8 Sr 0.65621044484007 0.30781493108216 0.48584579128725 87.620 > 3 9 Sr 0.98954377817341 0.30781493108216 0.48584579128725 87.620 > 3 10 Sr 0.01045622182659 0.69218506891784 0.51415420871275 87.620 > 4 11 Sr 0.34378955515993 0.69218506891784 0.51415420871275 87.620 > 4 12 Sr 0.67712288849326 0.69218506891784 0.51415420871275 87.620 > 4 *13 P 0.18814917573750 0.65251456147702 0.79285342479451 30.974 > 5 14 P 0.52148250907084 0.65251456147702 0.79285342479451 30.974 > 5 15 P 0.85481584240417 0.65251456147702 0.79285342479451 30.974 > 5 16 P 0.14518415759583 0.34748543852298 0.20714657520549 30.974 > 6 17 P 0.47851749092916 0.34748543852298 0.20714657520549 30.974 > 6 18 P 0.81185082426250 0.34748543852298 0.20714657520549 30.974 > 6 *19 P 0.02335866939864 0.01293734323687 0.28284516017309 30.974 > 7 20 P 0.35669200273197 0.01293734323687 0.28284516017309 30.974 > 7 21 P 0.69002533606530 0.01293734323687 0.28284516017309 30.974 > 7 22 P 0.30997466393470 0.98706265676312 0.71715483982691 30.974 > 8 23 P 0.64330799726803 0.98706265676312 0.71715483982691 30.974 > 8 24 P 0.97664133060136 0.98706265676312 0.71715483982691 30.974 > 8 25 P 0.14518415759583 0.15251456147702 0.70714657520549 30.974 > 9 26 P 0.47851749092916 0.15251456147702 0.70714657520549 30.974 > 9 27 P 0.81185082426250 0.15251456147702 0.70714657520549 30.974 > 9 28 P 0.30997466393470 0.51293734323688 0.21715483982691 30.974 > 10 29 P 0.64330799726803 0.51293734323688 0.21715483982691 30.974 > 10 30 P 0.97664133060136 0.51293734323688 0.21715483982691 30.974 > 10 31 P 0.02335866939864 0.48706265676312 0.78284516017309 30.974 > 11 32 P 0.35669200273197 0.48706265676312 0.78284516017309 30.974 > 11 33 P 0.69002533606530 0.48706265676312 0.78284516017309 30.974 > 11 34 P 0.18814917573750 0.84748543852298 0.29285342479451 30.974 > 12 35 P 0.52148250907084 0.84748543852298 0.29285342479451 30.974 > 12 36 P 0.85481584240417 0.84748543852298 0.29285342479451 30.974 > 12 *37 O 0.03313190509628 0.11140560632659 0.66855155963916 15.999 > 13 38 O 0.36646523842962 0.11140560632659 0.66855155963916 15.999 > 13 39 O 0.69979857176295 0.11140560632659 0.66855155963916 15.999 > 13 *40 O 0.31973063086891 0.51358783338576 0.36177560258146 15.999 > 14 41 O 0.65306396420224 0.51358783338576 0.36177560258146 15.999 > 14 42 O 0.98639729753557 0.51358783338576 0.36177560258146 15.999 > 14 43 O 0.01360270246443 0.48641216661424 0.63822439741854 15.999 > 15 44 O 0.34693603579776 0.48641216661424 0.63822439741854 15.999 > 15 45 O 0.68026936913109 0.48641216661424 0.63822439741854 15.999 > 15 *46 O 0.16614893093023 0.74740369541602 0.38661764097577 15.999 > 16 47 O 0.49948226426356 0.74740369541602 0.38661764097577 15.999 > 16 48 O 0.83281559759690 0.74740369541602 0.38661764097577 15.999 > 16 49 O 0.31973063086891 0.98641216661424 0.86177560258146 15.999 > 17 50 O 0.65306396420224 0.98641216661424 0.86177560258146 15.999 > 17 51 O 0.98639729753557 0.98641216661424 0.86177560258146 15.999 > 17 *52 O 0.00597334947895 0.62272380963571 0.14394696290813 15.999 > 18 53 O 0.33930668281228 0.62272380963571 0.14394696290813 15.999 > 18 54 O 0.67264001614562 0.62272380963571 0.14394696290813 15.999 > 18 55 O 0.16718440240310 0.24740369541602 0.11338235902423 15.999 > 19 56 O 0.50051773573644 0.24740369541602 0.11338235902423 15.999 > 19 57 O 0.83385106906977 0.24740369541602 0.11338235902423 15.999 > 19 *58 O 0.13226286906226 0.97289238383597 0.33091878459410 15.999 > 20 59 O 0.46559620239559 0.97289238383597 0.33091878459410 15.999 > 20 60 O 0.79892953572893 0.97289238383597 0.33091878459410 15.999 > 20 61 O 0.30020142823705 0.88859439367341 0.33144844036084 15.999 > 21 62 O 0.63353476157038 0.88859439367341 0.33144844036084 15.999 > 21 63 O 0.96686809490372 0.88859439367341 0.33144844036084 15.999 > 21 64 O 0.16718440240310 0.25259630458398 0.61338235902423 15.999 > 22 65 O 0.50051773573644 0.25259630458398 0.61338235902423 15.999 > 22 66 O 0.83385106906977 0.25259630458398 0.61338235902423 15.999 > 22 *67 O 0.17701319771586 0.67352631463882 0.65084302492888 15.999 > 23 68 O 0.51034653104920 0.67352631463882 0.65084302492888 15.999 > 23 69 O 0.84367986438253 0.67352631463882 0.65084302492888 15.999 > 23 70 O 0.01360270246443 0.01358783338576 0.13822439741854 15.999 > 24 71 O 0.34693603579776 0.01358783338576 0.13822439741854 15.999 > 24 72 O 0.68026936913109 0.01358783338576 0.13822439741854 15.999 > 24 73 O 0.15632013561747 0.17352631463882 0.84915697507112 15.999 > 25 74 O 0.48965346895080 0.17352631463882 0.84915697507112 15.999 > 25 75 O 0.82298680228414 0.17352631463882 0.84915697507112 15.999 > 25 76 O 0.32735998385438 0.37727619036429 0.85605303709187 15.999 > 26 77 O 0.66069331718772 0.37727619036429 0.85605303709187 15.999 > 26 78 O 0.99402665052105 0.37727619036429 0.85605303709187 15.999 > 26 79 O 0.03313190509628 0.38859439367340 0.16855155963916 15.999 > 27 80 O 0.36646523842962 0.38859439367340 0.16855155963916 15.999 > 27 81 O 0.69979857176295 0.38859439367340 0.16855155963916 15.999 > 27 82 O 0.13226286906226 0.52710761616403 0.83091878459410 15.999 > 28 83 O 0.46559620239559 0.52710761616403 0.83091878459410 15.999 > 28 84 O 0.79892953572893 0.52710761616403 0.83091878459410 15.999 > 28 85 O 0.32735998385438 0.12272380963571 0.35605303709187 15.999 > 29 86 O 0.66069331718772 0.12272380963571 0.35605303709187 15.999 > 29 87 O 0.99402665052105 0.12272380963571 0.35605303709187 15.999 > 29 88 O 0.15632013561747 0.32647368536118 0.34915697507112 15.999 > 30 89 O 0.48965346895080 0.32647368536118 0.34915697507112 15.999 > 30 90 O 0.82298680228414 0.32647368536118 0.34915697507112 15.999 > 30 91 O 0.30020142823705 0.61140560632659 0.83144844036084 15.999 > 31 92 O 0.63353476157038 0.61140560632659 0.83144844036084 15.999 > 31 93 O 0.96686809490372 0.61140560632659 0.83144844036084 15.999 > 31 94 O 0.20107046427107 0.02710761616403 0.66908121540590 15.999 > 32 95 O 0.53440379760441 0.02710761616403 0.66908121540590 15.999 > 32 96 O 0.86773713093774 0.02710761616403 0.66908121540590 15.999 > 32 97 O 0.16614893093023 0.75259630458398 0.88661764097577 15.999 > 33 98 O 0.49948226426356 0.75259630458398 0.88661764097577 15.999 > 33 99 O 0.83281559759690 0.75259630458398 0.88661764097577 15.999 > 33 100 O 0.20107046427107 0.47289238383597 0.16908121540590 15.999 > 34 101 O 0.53440379760441 0.47289238383597 0.16908121540590 15.999 > 34 102 O 0.86773713093774 0.47289238383597 0.16908121540590 15.999 > 34 103 O 0.00597334947895 0.87727619036429 0.64394696290813 15.999 > 35 104 O 0.33930668281228 0.87727619036429 0.64394696290813 15.999 > 35 105 O 0.67264001614562 0.87727619036429 0.64394696290813 15.999 > 35 106 O 0.17701319771586 0.82647368536118 0.15084302492888 15.999 > 36 107 O 0.51034653104920 0.82647368536118 0.15084302492888 15.999 > 36 108 O 0.84367986438253 0.82647368536118 0.15084302492888 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6046655 0.0000000 -0.0118106 0.0000000 2.6044252 0.0000000 -0.0118136 0.0000000 2.5650662 -------------------------- Born effective charges -------------------------- 1 Sr 2.4262019 0.0411291 -0.0317518 -0.0218322 2.6832072 -0.0238412 0.0100717 -0.0670804 2.8097147 2 Sr 2.4262019 0.0411291 -0.0317518 -0.0218322 2.6832072 -0.0238412 0.0100717 -0.0670804 2.8097147 3 Sr 2.4262019 -0.0411291 -0.0317518 0.0218322 2.6832072 0.0238412 0.0100717 0.0670804 2.8097147 4 Sr 2.4262019 -0.0411291 -0.0317518 0.0218322 2.6832072 0.0238412 0.0100717 0.0670804 2.8097147 5 P 3.5797592 0.3608156 -0.0057240 -0.3371643 3.2157590 -0.2369895 -0.0355652 0.3970078 2.9271210 6 P 3.5797592 0.3608156 -0.0057240 -0.3371643 3.2157590 -0.2369895 -0.0355652 0.3970078 2.9271210 7 P 3.6027254 0.3676386 0.0253691 -0.4697490 3.4337916 -0.1445512 -0.0509815 0.1433034 2.9357936 8 P 3.6027254 0.3676386 0.0253691 -0.4697490 3.4337916 -0.1445512 -0.0509815 0.1433034 2.9357936 9 P 3.5797592 -0.3608156 -0.0057240 0.3371643 3.2157590 0.2369895 -0.0355652 -0.3970078 2.9271210 10 P 3.6027254 -0.3676386 0.0253691 0.4697490 3.4337916 0.1445512 -0.0509815 -0.1433034 2.9357936 11 P 3.6027254 -0.3676386 0.0253691 0.4697490 3.4337916 0.1445512 -0.0509815 -0.1433034 2.9357936 12 P 3.5797592 -0.3608156 -0.0057240 0.3371643 3.2157590 0.2369895 -0.0355652 -0.3970078 2.9271210 13 O -2.4058765 -1.0054526 -0.0437712 -0.7580646 -1.7560693 0.1904735 0.0035775 0.2875948 -1.0590324 14 O -0.9879315 0.0454613 -0.0432530 -0.0827601 -1.5093602 -0.2000663 -0.0535967 -0.0324182 -2.0262250 15 O -0.9879315 0.0454613 -0.0432530 -0.0827601 -1.5093602 -0.2000663 -0.0535967 -0.0324182 -2.0262250 16 O -1.4538630 -0.0553167 0.1595967 -0.1764285 -1.4271983 0.4774385 0.1655635 0.5329668 -1.5281719 17 O -0.9879315 -0.0454613 -0.0432530 0.0827601 -1.5093602 0.2000663 -0.0535967 0.0324182 -2.0262250 18 O -1.0047343 -0.0658815 0.1024151 -0.2363643 -1.9658160 0.6010567 0.1227918 0.5379470 -1.3383219 19 O -1.4538630 0.0553167 0.1595967 0.1764285 -1.4271983 -0.4774385 0.1655635 -0.5329668 -1.5281719 20 O -2.3259844 1.0594729 -0.1190404 0.8421689 -1.6505965 -0.0639578 -0.1263694 0.0047259 -0.8974342 21 O -2.4058765 -1.0054526 -0.0437712 -0.7580646 -1.7560693 0.1904735 0.0035775 0.2875948 -1.0590324 22 O -1.4538630 -0.0553167 0.1595967 -0.1764285 -1.4271983 0.4774385 0.1655635 0.5329668 -1.5281719 23 O -1.4302968 -0.0462259 -0.0438404 0.0328259 -1.0237175 0.3557503 -0.0354917 0.0680596 -1.8234439 24 O -0.9879315 -0.0454613 -0.0432530 0.0827601 -1.5093602 0.2000663 -0.0535967 0.0324182 -2.0262250 25 O -1.4302968 0.0462259 -0.0438404 -0.0328259 -1.0237175 -0.3557503 -0.0354917 -0.0680596 -1.8234439 26 O -1.0047343 -0.0658815 0.1024151 -0.2363643 -1.9658160 0.6010567 0.1227918 0.5379470 -1.3383219 27 O -2.4058765 1.0054526 -0.0437712 0.7580646 -1.7560693 -0.1904735 0.0035775 -0.2875948 -1.0590324 28 O -2.3259844 -1.0594729 -0.1190404 -0.8421689 -1.6505965 0.0639578 -0.1263694 -0.0047259 -0.8974342 29 O -1.0047343 0.0658815 0.1024151 0.2363643 -1.9658160 -0.6010567 0.1227918 -0.5379470 -1.3383219 30 O -1.4302968 -0.0462259 -0.0438404 0.0328259 -1.0237175 0.3557503 -0.0354917 0.0680596 -1.8234439 31 O -2.4058765 1.0054526 -0.0437712 0.7580646 -1.7560693 -0.1904735 0.0035775 -0.2875948 -1.0590324 32 O -2.3259844 1.0594729 -0.1190404 0.8421689 -1.6505965 -0.0639578 -0.1263694 0.0047259 -0.8974342 33 O -1.4538630 0.0553167 0.1595967 0.1764285 -1.4271983 -0.4774385 0.1655635 -0.5329668 -1.5281719 34 O -2.3259844 -1.0594729 -0.1190404 -0.8421689 -1.6505965 0.0639578 -0.1263694 -0.0047259 -0.8974342 35 O -1.0047343 0.0658815 0.1024151 0.2363643 -1.9658160 -0.6010567 0.1227918 -0.5379470 -1.3383219 36 O -1.4302968 0.0462259 -0.0438404 -0.0328259 -1.0237175 -0.3557503 -0.0354917 -0.0680596 -1.8234439 ---------------------------------------------------------------------------- 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: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4482 Number of blocks in projector: 4482 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 456 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 456 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 972 / 972 (1) 459 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4482, 4402), data: False |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (972, 955), data: False |-- (972, 13), data: (972, 30) @ (30, 13) |-- (472, 459), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (972, 954), data: False |-- (972, 16), data: (972, 34) @ (34, 16) |-- (472, 456), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 16), data: (972, 34) @ (34, 16) |-- (472, 456), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 108 / 108 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1120 - Time: 1.567 Solver_block: 200 / 1120 - Time: 2.147 Solver_block: 300 / 1120 - Time: 1.424 Solver_block: 400 / 1120 - Time: 1.814 Solver_block: 500 / 1120 - Time: 1.292 Solver_block: 600 / 1120 - Time: 2.086 Solver_block: 700 / 1120 - Time: 1.541 Solver_block: 800 / 1120 - Time: 1.306 Solver_block: 900 / 1120 - Time: 2.302 Solver_block: 1000 / 1120 - Time: 1.287 Solver_block: 1100 / 1120 - Time: 1.617 Solver_block: 1120 / 1120 - Time: 0.347 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.289 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 324/324 Permutation basis: 17766/17766 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4482 Number of blocks in projector: 4482 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: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 456 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 972 / 972 (1) 456 eigenvectors found. (1) Complementary block size: 34 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 972 Use submatrix version of eigh solver. (1) Block: 500 / 972 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 972 / 972 (1) 459 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 522 Use submatrix version of eigh solver. (1) Block: 522 / 522 (2) Block: 250 / 522 (2) 241 eigenvectors found. (2) Block: 522 / 522 (2) 263 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4482, 4402), data: False |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (522, 513), data: False |-- (522, 513), data: False |-- (522, 9), data: (522, 18) @ (18, 9) |-- (272, 263), data: True |-- (250, 241), data: True |-- (972, 955), data: False |-- (972, 13), data: (972, 30) @ (30, 13) |-- (472, 459), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (972, 954), data: False |-- (972, 16), data: (972, 34) @ (34, 16) |-- (472, 456), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (972, 954), data: False |-- (972, 16), data: (972, 34) @ (34, 16) |-- (472, 456), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:57:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:57:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.502367500101553 0.000000000000000 0.000000000000000 b 0.000000000000000 10.899586410000000 0.000000000000000 c -0.301915971722317 0.000000000000000 10.395602602426003 Atomic positions (fractional): 1 Sr 0.96863133452022 0.19218506891784 0.98584579128725 87.620 2 Sr 0.03136866547978 0.80781493108216 0.01415420871275 87.620 3 Sr 0.96863133452022 0.30781493108216 0.48584579128725 87.620 4 Sr 0.03136866547978 0.69218506891784 0.51415420871275 87.620 5 P 0.56444752721251 0.65251456147702 0.79285342479451 30.974 6 P 0.43555247278749 0.34748543852298 0.20714657520549 30.974 7 P 0.07007600819591 0.01293734323687 0.28284516017309 30.974 8 P 0.92992399180409 0.98706265676312 0.71715483982691 30.974 9 P 0.43555247278749 0.15251456147702 0.70714657520549 30.974 10 P 0.92992399180409 0.51293734323688 0.21715483982691 30.974 11 P 0.07007600819591 0.48706265676312 0.78284516017309 30.974 12 P 0.56444752721251 0.84748543852298 0.29285342479451 30.974 13 O 0.09939571528885 0.11140560632659 0.66855155963916 15.999 14 O 0.95919189260672 0.51358783338576 0.36177560258146 15.999 15 O 0.04080810739328 0.48641216661424 0.63822439741854 15.999 16 O 0.49844679279069 0.74740369541602 0.38661764097577 15.999 17 O 0.95919189260672 0.98641216661424 0.86177560258146 15.999 18 O 0.01792004843685 0.62272380963571 0.14394696290813 15.999 19 O 0.50155320720931 0.24740369541602 0.11338235902423 15.999 20 O 0.39678860718678 0.97289238383597 0.33091878459410 15.999 21 O 0.90060428471115 0.88859439367341 0.33144844036084 15.999 22 O 0.50155320720931 0.25259630458398 0.61338235902423 15.999 23 O 0.53103959314759 0.67352631463882 0.65084302492888 15.999 24 O 0.04080810739328 0.01358783338576 0.13822439741854 15.999 25 O 0.46896040685241 0.17352631463882 0.84915697507112 15.999 26 O 0.98207995156315 0.37727619036429 0.85605303709187 15.999 27 O 0.09939571528885 0.38859439367340 0.16855155963916 15.999 28 O 0.39678860718678 0.52710761616403 0.83091878459410 15.999 29 O 0.98207995156315 0.12272380963571 0.35605303709187 15.999 30 O 0.46896040685241 0.32647368536118 0.34915697507112 15.999 31 O 0.90060428471115 0.61140560632659 0.83144844036084 15.999 32 O 0.60321139281322 0.02710761616403 0.66908121540590 15.999 33 O 0.49844679279069 0.75259630458398 0.88661764097577 15.999 34 O 0.60321139281322 0.47289238383597 0.16908121540590 15.999 35 O 0.01792004843685 0.87727619036429 0.64394696290813 15.999 36 O 0.53103959314759 0.82647368536118 0.15084302492888 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.507102500304658 0.000000000000000 0.000000000000000 b 0.000000000000000 10.899586410000000 0.000000000000000 c -0.301915971722317 0.000000000000000 10.395602602426003 Atomic positions (fractional): 1 Sr 0.32287711150674 0.19218506891784 0.98584579128725 87.620 > 1 2 Sr 0.65621044484007 0.19218506891784 0.98584579128725 87.620 > 1 3 Sr 0.98954377817341 0.19218506891784 0.98584579128725 87.620 > 1 4 Sr 0.01045622182659 0.80781493108216 0.01415420871275 87.620 > 4 5 Sr 0.34378955515993 0.80781493108216 0.01415420871275 87.620 > 4 6 Sr 0.67712288849326 0.80781493108216 0.01415420871275 87.620 > 4 7 Sr 0.32287711150674 0.30781493108216 0.48584579128725 87.620 > 7 8 Sr 0.65621044484007 0.30781493108216 0.48584579128725 87.620 > 7 9 Sr 0.98954377817341 0.30781493108216 0.48584579128725 87.620 > 7 10 Sr 0.01045622182659 0.69218506891784 0.51415420871275 87.620 > 10 11 Sr 0.34378955515993 0.69218506891784 0.51415420871275 87.620 > 10 12 Sr 0.67712288849326 0.69218506891784 0.51415420871275 87.620 > 10 13 P 0.18814917573750 0.65251456147702 0.79285342479451 30.974 > 13 14 P 0.52148250907084 0.65251456147702 0.79285342479451 30.974 > 13 15 P 0.85481584240417 0.65251456147702 0.79285342479451 30.974 > 13 16 P 0.14518415759583 0.34748543852298 0.20714657520549 30.974 > 16 17 P 0.47851749092916 0.34748543852298 0.20714657520549 30.974 > 16 18 P 0.81185082426250 0.34748543852298 0.20714657520549 30.974 > 16 19 P 0.02335866939864 0.01293734323687 0.28284516017309 30.974 > 19 20 P 0.35669200273197 0.01293734323687 0.28284516017309 30.974 > 19 21 P 0.69002533606530 0.01293734323687 0.28284516017309 30.974 > 19 22 P 0.30997466393470 0.98706265676312 0.71715483982691 30.974 > 22 23 P 0.64330799726803 0.98706265676312 0.71715483982691 30.974 > 22 24 P 0.97664133060136 0.98706265676312 0.71715483982691 30.974 > 22 25 P 0.14518415759583 0.15251456147702 0.70714657520549 30.974 > 25 26 P 0.47851749092916 0.15251456147702 0.70714657520549 30.974 > 25 27 P 0.81185082426250 0.15251456147702 0.70714657520549 30.974 > 25 28 P 0.30997466393470 0.51293734323688 0.21715483982691 30.974 > 28 29 P 0.64330799726803 0.51293734323688 0.21715483982691 30.974 > 28 30 P 0.97664133060136 0.51293734323688 0.21715483982691 30.974 > 28 31 P 0.02335866939864 0.48706265676312 0.78284516017309 30.974 > 31 32 P 0.35669200273197 0.48706265676312 0.78284516017309 30.974 > 31 33 P 0.69002533606530 0.48706265676312 0.78284516017309 30.974 > 31 34 P 0.18814917573750 0.84748543852298 0.29285342479451 30.974 > 34 35 P 0.52148250907084 0.84748543852298 0.29285342479451 30.974 > 34 36 P 0.85481584240417 0.84748543852298 0.29285342479451 30.974 > 34 37 O 0.03313190509628 0.11140560632659 0.66855155963916 15.999 > 37 38 O 0.36646523842962 0.11140560632659 0.66855155963916 15.999 > 37 39 O 0.69979857176295 0.11140560632659 0.66855155963916 15.999 > 37 40 O 0.31973063086891 0.51358783338576 0.36177560258146 15.999 > 40 41 O 0.65306396420224 0.51358783338576 0.36177560258146 15.999 > 40 42 O 0.98639729753557 0.51358783338576 0.36177560258146 15.999 > 40 43 O 0.01360270246443 0.48641216661424 0.63822439741854 15.999 > 43 44 O 0.34693603579776 0.48641216661424 0.63822439741854 15.999 > 43 45 O 0.68026936913109 0.48641216661424 0.63822439741854 15.999 > 43 46 O 0.16614893093023 0.74740369541602 0.38661764097577 15.999 > 46 47 O 0.49948226426356 0.74740369541602 0.38661764097577 15.999 > 46 48 O 0.83281559759690 0.74740369541602 0.38661764097577 15.999 > 46 49 O 0.31973063086891 0.98641216661424 0.86177560258146 15.999 > 49 50 O 0.65306396420224 0.98641216661424 0.86177560258146 15.999 > 49 51 O 0.98639729753557 0.98641216661424 0.86177560258146 15.999 > 49 52 O 0.00597334947895 0.62272380963571 0.14394696290813 15.999 > 52 53 O 0.33930668281228 0.62272380963571 0.14394696290813 15.999 > 52 54 O 0.67264001614562 0.62272380963571 0.14394696290813 15.999 > 52 55 O 0.16718440240310 0.24740369541602 0.11338235902423 15.999 > 55 56 O 0.50051773573644 0.24740369541602 0.11338235902423 15.999 > 55 57 O 0.83385106906977 0.24740369541602 0.11338235902423 15.999 > 55 58 O 0.13226286906226 0.97289238383597 0.33091878459410 15.999 > 58 59 O 0.46559620239559 0.97289238383597 0.33091878459410 15.999 > 58 60 O 0.79892953572893 0.97289238383597 0.33091878459410 15.999 > 58 61 O 0.30020142823705 0.88859439367341 0.33144844036084 15.999 > 61 62 O 0.63353476157038 0.88859439367341 0.33144844036084 15.999 > 61 63 O 0.96686809490372 0.88859439367341 0.33144844036084 15.999 > 61 64 O 0.16718440240310 0.25259630458398 0.61338235902423 15.999 > 64 65 O 0.50051773573644 0.25259630458398 0.61338235902423 15.999 > 64 66 O 0.83385106906977 0.25259630458398 0.61338235902423 15.999 > 64 67 O 0.17701319771586 0.67352631463882 0.65084302492888 15.999 > 67 68 O 0.51034653104920 0.67352631463882 0.65084302492888 15.999 > 67 69 O 0.84367986438253 0.67352631463882 0.65084302492888 15.999 > 67 70 O 0.01360270246443 0.01358783338576 0.13822439741854 15.999 > 70 71 O 0.34693603579776 0.01358783338576 0.13822439741854 15.999 > 70 72 O 0.68026936913109 0.01358783338576 0.13822439741854 15.999 > 70 73 O 0.15632013561747 0.17352631463882 0.84915697507112 15.999 > 73 74 O 0.48965346895080 0.17352631463882 0.84915697507112 15.999 > 73 75 O 0.82298680228414 0.17352631463882 0.84915697507112 15.999 > 73 76 O 0.32735998385438 0.37727619036429 0.85605303709187 15.999 > 76 77 O 0.66069331718772 0.37727619036429 0.85605303709187 15.999 > 76 78 O 0.99402665052105 0.37727619036429 0.85605303709187 15.999 > 76 79 O 0.03313190509628 0.38859439367340 0.16855155963916 15.999 > 79 80 O 0.36646523842962 0.38859439367340 0.16855155963916 15.999 > 79 81 O 0.69979857176295 0.38859439367340 0.16855155963916 15.999 > 79 82 O 0.13226286906226 0.52710761616403 0.83091878459410 15.999 > 82 83 O 0.46559620239559 0.52710761616403 0.83091878459410 15.999 > 82 84 O 0.79892953572893 0.52710761616403 0.83091878459410 15.999 > 82 85 O 0.32735998385438 0.12272380963571 0.35605303709187 15.999 > 85 86 O 0.66069331718772 0.12272380963571 0.35605303709187 15.999 > 85 87 O 0.99402665052105 0.12272380963571 0.35605303709187 15.999 > 85 88 O 0.15632013561747 0.32647368536118 0.34915697507112 15.999 > 88 89 O 0.48965346895080 0.32647368536118 0.34915697507112 15.999 > 88 90 O 0.82298680228414 0.32647368536118 0.34915697507112 15.999 > 88 91 O 0.30020142823705 0.61140560632659 0.83144844036084 15.999 > 91 92 O 0.63353476157038 0.61140560632659 0.83144844036084 15.999 > 91 93 O 0.96686809490372 0.61140560632659 0.83144844036084 15.999 > 91 94 O 0.20107046427107 0.02710761616403 0.66908121540590 15.999 > 94 95 O 0.53440379760441 0.02710761616403 0.66908121540590 15.999 > 94 96 O 0.86773713093774 0.02710761616403 0.66908121540590 15.999 > 94 97 O 0.16614893093023 0.75259630458398 0.88661764097577 15.999 > 97 98 O 0.49948226426356 0.75259630458398 0.88661764097577 15.999 > 97 99 O 0.83281559759690 0.75259630458398 0.88661764097577 15.999 > 97 100 O 0.20107046427107 0.47289238383597 0.16908121540590 15.999 > 100 101 O 0.53440379760441 0.47289238383597 0.16908121540590 15.999 > 100 102 O 0.86773713093774 0.47289238383597 0.16908121540590 15.999 > 100 103 O 0.00597334947895 0.87727619036429 0.64394696290813 15.999 > 103 104 O 0.33930668281228 0.87727619036429 0.64394696290813 15.999 > 103 105 O 0.67264001614562 0.87727619036429 0.64394696290813 15.999 > 103 106 O 0.17701319771586 0.82647368536118 0.15084302492888 15.999 > 106 107 O 0.51034653104920 0.82647368536118 0.15084302492888 15.999 > 106 108 O 0.84367986438253 0.82647368536118 0.15084302492888 15.999 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6046655 0.0000000 -0.0118106 0.0000000 2.6044252 0.0000000 -0.0118136 0.0000000 2.5650662 -------------------------- Born effective charges -------------------------- 1 Sr 2.4262019 0.0411291 -0.0317518 -0.0218322 2.6832072 -0.0238412 0.0100717 -0.0670804 2.8097147 2 Sr 2.4262019 0.0411291 -0.0317518 -0.0218322 2.6832072 -0.0238412 0.0100717 -0.0670804 2.8097147 3 Sr 2.4262019 -0.0411291 -0.0317518 0.0218322 2.6832072 0.0238412 0.0100717 0.0670804 2.8097147 4 Sr 2.4262019 -0.0411291 -0.0317518 0.0218322 2.6832072 0.0238412 0.0100717 0.0670804 2.8097147 5 P 3.5797592 0.3608156 -0.0057240 -0.3371643 3.2157590 -0.2369895 -0.0355652 0.3970078 2.9271210 6 P 3.5797592 0.3608156 -0.0057240 -0.3371643 3.2157590 -0.2369895 -0.0355652 0.3970078 2.9271210 7 P 3.6027254 0.3676386 0.0253691 -0.4697490 3.4337916 -0.1445512 -0.0509815 0.1433034 2.9357936 8 P 3.6027254 0.3676386 0.0253691 -0.4697490 3.4337916 -0.1445512 -0.0509815 0.1433034 2.9357936 9 P 3.5797592 -0.3608156 -0.0057240 0.3371643 3.2157590 0.2369895 -0.0355652 -0.3970078 2.9271210 10 P 3.6027254 -0.3676386 0.0253691 0.4697490 3.4337916 0.1445512 -0.0509815 -0.1433034 2.9357936 11 P 3.6027254 -0.3676386 0.0253691 0.4697490 3.4337916 0.1445512 -0.0509815 -0.1433034 2.9357936 12 P 3.5797592 -0.3608156 -0.0057240 0.3371643 3.2157590 0.2369895 -0.0355652 -0.3970078 2.9271210 13 O -2.4058765 -1.0054526 -0.0437712 -0.7580646 -1.7560693 0.1904735 0.0035775 0.2875948 -1.0590324 14 O -0.9879315 0.0454613 -0.0432530 -0.0827601 -1.5093602 -0.2000663 -0.0535967 -0.0324182 -2.0262250 15 O -0.9879315 0.0454613 -0.0432530 -0.0827601 -1.5093602 -0.2000663 -0.0535967 -0.0324182 -2.0262250 16 O -1.4538630 -0.0553167 0.1595967 -0.1764285 -1.4271983 0.4774385 0.1655635 0.5329668 -1.5281719 17 O -0.9879315 -0.0454613 -0.0432530 0.0827601 -1.5093602 0.2000663 -0.0535967 0.0324182 -2.0262250 18 O -1.0047343 -0.0658815 0.1024151 -0.2363643 -1.9658160 0.6010567 0.1227918 0.5379470 -1.3383219 19 O -1.4538630 0.0553167 0.1595967 0.1764285 -1.4271983 -0.4774385 0.1655635 -0.5329668 -1.5281719 20 O -2.3259844 1.0594729 -0.1190404 0.8421689 -1.6505965 -0.0639578 -0.1263694 0.0047259 -0.8974342 21 O -2.4058765 -1.0054526 -0.0437712 -0.7580646 -1.7560693 0.1904735 0.0035775 0.2875948 -1.0590324 22 O -1.4538630 -0.0553167 0.1595967 -0.1764285 -1.4271983 0.4774385 0.1655635 0.5329668 -1.5281719 23 O -1.4302968 -0.0462259 -0.0438404 0.0328259 -1.0237175 0.3557503 -0.0354917 0.0680596 -1.8234439 24 O -0.9879315 -0.0454613 -0.0432530 0.0827601 -1.5093602 0.2000663 -0.0535967 0.0324182 -2.0262250 25 O -1.4302968 0.0462259 -0.0438404 -0.0328259 -1.0237175 -0.3557503 -0.0354917 -0.0680596 -1.8234439 26 O -1.0047343 -0.0658815 0.1024151 -0.2363643 -1.9658160 0.6010567 0.1227918 0.5379470 -1.3383219 27 O -2.4058765 1.0054526 -0.0437712 0.7580646 -1.7560693 -0.1904735 0.0035775 -0.2875948 -1.0590324 28 O -2.3259844 -1.0594729 -0.1190404 -0.8421689 -1.6505965 0.0639578 -0.1263694 -0.0047259 -0.8974342 29 O -1.0047343 0.0658815 0.1024151 0.2363643 -1.9658160 -0.6010567 0.1227918 -0.5379470 -1.3383219 30 O -1.4302968 -0.0462259 -0.0438404 0.0328259 -1.0237175 0.3557503 -0.0354917 0.0680596 -1.8234439 31 O -2.4058765 1.0054526 -0.0437712 0.7580646 -1.7560693 -0.1904735 0.0035775 -0.2875948 -1.0590324 32 O -2.3259844 1.0594729 -0.1190404 0.8421689 -1.6505965 -0.0639578 -0.1263694 0.0047259 -0.8974342 33 O -1.4538630 0.0553167 0.1595967 0.1764285 -1.4271983 -0.4774385 0.1655635 -0.5329668 -1.5281719 34 O -2.3259844 -1.0594729 -0.1190404 -0.8421689 -1.6505965 0.0639578 -0.1263694 -0.0047259 -0.8974342 35 O -1.0047343 0.0658815 0.1024151 0.2363643 -1.9658160 -0.6010567 0.1227918 -0.5379470 -1.3383219 36 O -1.4302968 0.0462259 -0.0438404 -0.0328259 -1.0237175 -0.3557503 -0.0354917 -0.0680596 -1.8234439 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 40, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 46, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 52, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 58, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:58:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:58:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.502367500101553 0.000000000000000 0.000000000000000 b 0.000000000000000 10.899586410000000 0.000000000000000 c -0.301915971722317 0.000000000000000 10.395602602426003 Atomic positions (fractional): 1 Sr 0.96863133452022 0.19218506891784 0.98584579128725 87.620 2 Sr 0.03136866547978 0.80781493108216 0.01415420871275 87.620 3 Sr 0.96863133452022 0.30781493108216 0.48584579128725 87.620 4 Sr 0.03136866547978 0.69218506891784 0.51415420871275 87.620 5 P 0.56444752721251 0.65251456147702 0.79285342479451 30.974 6 P 0.43555247278749 0.34748543852298 0.20714657520549 30.974 7 P 0.07007600819591 0.01293734323687 0.28284516017309 30.974 8 P 0.92992399180409 0.98706265676312 0.71715483982691 30.974 9 P 0.43555247278749 0.15251456147702 0.70714657520549 30.974 10 P 0.92992399180409 0.51293734323688 0.21715483982691 30.974 11 P 0.07007600819591 0.48706265676312 0.78284516017309 30.974 12 P 0.56444752721251 0.84748543852298 0.29285342479451 30.974 13 O 0.09939571528885 0.11140560632659 0.66855155963916 15.999 14 O 0.95919189260672 0.51358783338576 0.36177560258146 15.999 15 O 0.04080810739328 0.48641216661424 0.63822439741854 15.999 16 O 0.49844679279069 0.74740369541602 0.38661764097577 15.999 17 O 0.95919189260672 0.98641216661424 0.86177560258146 15.999 18 O 0.01792004843685 0.62272380963571 0.14394696290813 15.999 19 O 0.50155320720931 0.24740369541602 0.11338235902423 15.999 20 O 0.39678860718678 0.97289238383597 0.33091878459410 15.999 21 O 0.90060428471115 0.88859439367341 0.33144844036084 15.999 22 O 0.50155320720931 0.25259630458398 0.61338235902423 15.999 23 O 0.53103959314759 0.67352631463882 0.65084302492888 15.999 24 O 0.04080810739328 0.01358783338576 0.13822439741854 15.999 25 O 0.46896040685241 0.17352631463882 0.84915697507112 15.999 26 O 0.98207995156315 0.37727619036429 0.85605303709187 15.999 27 O 0.09939571528885 0.38859439367340 0.16855155963916 15.999 28 O 0.39678860718678 0.52710761616403 0.83091878459410 15.999 29 O 0.98207995156315 0.12272380963571 0.35605303709187 15.999 30 O 0.46896040685241 0.32647368536118 0.34915697507112 15.999 31 O 0.90060428471115 0.61140560632659 0.83144844036084 15.999 32 O 0.60321139281322 0.02710761616403 0.66908121540590 15.999 33 O 0.49844679279069 0.75259630458398 0.88661764097577 15.999 34 O 0.60321139281322 0.47289238383597 0.16908121540590 15.999 35 O 0.01792004843685 0.87727619036429 0.64394696290813 15.999 36 O 0.53103959314759 0.82647368536118 0.15084302492888 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.507102500304658 0.000000000000000 0.000000000000000 b 0.000000000000000 10.899586410000000 0.000000000000000 c -0.301915971722317 0.000000000000000 10.395602602426003 Atomic positions (fractional): 1 Sr 0.32287711150674 0.19218506891784 0.98584579128725 87.620 > 1 2 Sr 0.65621044484007 0.19218506891784 0.98584579128725 87.620 > 1 3 Sr 0.98954377817341 0.19218506891784 0.98584579128725 87.620 > 1 4 Sr 0.01045622182659 0.80781493108216 0.01415420871275 87.620 > 4 5 Sr 0.34378955515993 0.80781493108216 0.01415420871275 87.620 > 4 6 Sr 0.67712288849326 0.80781493108216 0.01415420871275 87.620 > 4 7 Sr 0.32287711150674 0.30781493108216 0.48584579128725 87.620 > 7 8 Sr 0.65621044484007 0.30781493108216 0.48584579128725 87.620 > 7 9 Sr 0.98954377817341 0.30781493108216 0.48584579128725 87.620 > 7 10 Sr 0.01045622182659 0.69218506891784 0.51415420871275 87.620 > 10 11 Sr 0.34378955515993 0.69218506891784 0.51415420871275 87.620 > 10 12 Sr 0.67712288849326 0.69218506891784 0.51415420871275 87.620 > 10 13 P 0.18814917573750 0.65251456147702 0.79285342479451 30.974 > 13 14 P 0.52148250907084 0.65251456147702 0.79285342479451 30.974 > 13 15 P 0.85481584240417 0.65251456147702 0.79285342479451 30.974 > 13 16 P 0.14518415759583 0.34748543852298 0.20714657520549 30.974 > 16 17 P 0.47851749092916 0.34748543852298 0.20714657520549 30.974 > 16 18 P 0.81185082426250 0.34748543852298 0.20714657520549 30.974 > 16 19 P 0.02335866939864 0.01293734323687 0.28284516017309 30.974 > 19 20 P 0.35669200273197 0.01293734323687 0.28284516017309 30.974 > 19 21 P 0.69002533606530 0.01293734323687 0.28284516017309 30.974 > 19 22 P 0.30997466393470 0.98706265676312 0.71715483982691 30.974 > 22 23 P 0.64330799726803 0.98706265676312 0.71715483982691 30.974 > 22 24 P 0.97664133060136 0.98706265676312 0.71715483982691 30.974 > 22 25 P 0.14518415759583 0.15251456147702 0.70714657520549 30.974 > 25 26 P 0.47851749092916 0.15251456147702 0.70714657520549 30.974 > 25 27 P 0.81185082426250 0.15251456147702 0.70714657520549 30.974 > 25 28 P 0.30997466393470 0.51293734323688 0.21715483982691 30.974 > 28 29 P 0.64330799726803 0.51293734323688 0.21715483982691 30.974 > 28 30 P 0.97664133060136 0.51293734323688 0.21715483982691 30.974 > 28 31 P 0.02335866939864 0.48706265676312 0.78284516017309 30.974 > 31 32 P 0.35669200273197 0.48706265676312 0.78284516017309 30.974 > 31 33 P 0.69002533606530 0.48706265676312 0.78284516017309 30.974 > 31 34 P 0.18814917573750 0.84748543852298 0.29285342479451 30.974 > 34 35 P 0.52148250907084 0.84748543852298 0.29285342479451 30.974 > 34 36 P 0.85481584240417 0.84748543852298 0.29285342479451 30.974 > 34 37 O 0.03313190509628 0.11140560632659 0.66855155963916 15.999 > 37 38 O 0.36646523842962 0.11140560632659 0.66855155963916 15.999 > 37 39 O 0.69979857176295 0.11140560632659 0.66855155963916 15.999 > 37 40 O 0.31973063086891 0.51358783338576 0.36177560258146 15.999 > 40 41 O 0.65306396420224 0.51358783338576 0.36177560258146 15.999 > 40 42 O 0.98639729753557 0.51358783338576 0.36177560258146 15.999 > 40 43 O 0.01360270246443 0.48641216661424 0.63822439741854 15.999 > 43 44 O 0.34693603579776 0.48641216661424 0.63822439741854 15.999 > 43 45 O 0.68026936913109 0.48641216661424 0.63822439741854 15.999 > 43 46 O 0.16614893093023 0.74740369541602 0.38661764097577 15.999 > 46 47 O 0.49948226426356 0.74740369541602 0.38661764097577 15.999 > 46 48 O 0.83281559759690 0.74740369541602 0.38661764097577 15.999 > 46 49 O 0.31973063086891 0.98641216661424 0.86177560258146 15.999 > 49 50 O 0.65306396420224 0.98641216661424 0.86177560258146 15.999 > 49 51 O 0.98639729753557 0.98641216661424 0.86177560258146 15.999 > 49 52 O 0.00597334947895 0.62272380963571 0.14394696290813 15.999 > 52 53 O 0.33930668281228 0.62272380963571 0.14394696290813 15.999 > 52 54 O 0.67264001614562 0.62272380963571 0.14394696290813 15.999 > 52 55 O 0.16718440240310 0.24740369541602 0.11338235902423 15.999 > 55 56 O 0.50051773573644 0.24740369541602 0.11338235902423 15.999 > 55 57 O 0.83385106906977 0.24740369541602 0.11338235902423 15.999 > 55 58 O 0.13226286906226 0.97289238383597 0.33091878459410 15.999 > 58 59 O 0.46559620239559 0.97289238383597 0.33091878459410 15.999 > 58 60 O 0.79892953572893 0.97289238383597 0.33091878459410 15.999 > 58 61 O 0.30020142823705 0.88859439367341 0.33144844036084 15.999 > 61 62 O 0.63353476157038 0.88859439367341 0.33144844036084 15.999 > 61 63 O 0.96686809490372 0.88859439367341 0.33144844036084 15.999 > 61 64 O 0.16718440240310 0.25259630458398 0.61338235902423 15.999 > 64 65 O 0.50051773573644 0.25259630458398 0.61338235902423 15.999 > 64 66 O 0.83385106906977 0.25259630458398 0.61338235902423 15.999 > 64 67 O 0.17701319771586 0.67352631463882 0.65084302492888 15.999 > 67 68 O 0.51034653104920 0.67352631463882 0.65084302492888 15.999 > 67 69 O 0.84367986438253 0.67352631463882 0.65084302492888 15.999 > 67 70 O 0.01360270246443 0.01358783338576 0.13822439741854 15.999 > 70 71 O 0.34693603579776 0.01358783338576 0.13822439741854 15.999 > 70 72 O 0.68026936913109 0.01358783338576 0.13822439741854 15.999 > 70 73 O 0.15632013561747 0.17352631463882 0.84915697507112 15.999 > 73 74 O 0.48965346895080 0.17352631463882 0.84915697507112 15.999 > 73 75 O 0.82298680228414 0.17352631463882 0.84915697507112 15.999 > 73 76 O 0.32735998385438 0.37727619036429 0.85605303709187 15.999 > 76 77 O 0.66069331718772 0.37727619036429 0.85605303709187 15.999 > 76 78 O 0.99402665052105 0.37727619036429 0.85605303709187 15.999 > 76 79 O 0.03313190509628 0.38859439367340 0.16855155963916 15.999 > 79 80 O 0.36646523842962 0.38859439367340 0.16855155963916 15.999 > 79 81 O 0.69979857176295 0.38859439367340 0.16855155963916 15.999 > 79 82 O 0.13226286906226 0.52710761616403 0.83091878459410 15.999 > 82 83 O 0.46559620239559 0.52710761616403 0.83091878459410 15.999 > 82 84 O 0.79892953572893 0.52710761616403 0.83091878459410 15.999 > 82 85 O 0.32735998385438 0.12272380963571 0.35605303709187 15.999 > 85 86 O 0.66069331718772 0.12272380963571 0.35605303709187 15.999 > 85 87 O 0.99402665052105 0.12272380963571 0.35605303709187 15.999 > 85 88 O 0.15632013561747 0.32647368536118 0.34915697507112 15.999 > 88 89 O 0.48965346895080 0.32647368536118 0.34915697507112 15.999 > 88 90 O 0.82298680228414 0.32647368536118 0.34915697507112 15.999 > 88 91 O 0.30020142823705 0.61140560632659 0.83144844036084 15.999 > 91 92 O 0.63353476157038 0.61140560632659 0.83144844036084 15.999 > 91 93 O 0.96686809490372 0.61140560632659 0.83144844036084 15.999 > 91 94 O 0.20107046427107 0.02710761616403 0.66908121540590 15.999 > 94 95 O 0.53440379760441 0.02710761616403 0.66908121540590 15.999 > 94 96 O 0.86773713093774 0.02710761616403 0.66908121540590 15.999 > 94 97 O 0.16614893093023 0.75259630458398 0.88661764097577 15.999 > 97 98 O 0.49948226426356 0.75259630458398 0.88661764097577 15.999 > 97 99 O 0.83281559759690 0.75259630458398 0.88661764097577 15.999 > 97 100 O 0.20107046427107 0.47289238383597 0.16908121540590 15.999 > 100 101 O 0.53440379760441 0.47289238383597 0.16908121540590 15.999 > 100 102 O 0.86773713093774 0.47289238383597 0.16908121540590 15.999 > 100 103 O 0.00597334947895 0.87727619036429 0.64394696290813 15.999 > 103 104 O 0.33930668281228 0.87727619036429 0.64394696290813 15.999 > 103 105 O 0.67264001614562 0.87727619036429 0.64394696290813 15.999 > 103 106 O 0.17701319771586 0.82647368536118 0.15084302492888 15.999 > 106 107 O 0.51034653104920 0.82647368536118 0.15084302492888 15.999 > 106 108 O 0.84367986438253 0.82647368536118 0.15084302492888 15.999 > 106 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6046655 0.0000000 -0.0118106 0.0000000 2.6044252 0.0000000 -0.0118136 0.0000000 2.5650662 -------------------------- Born effective charges -------------------------- 1 Sr 2.4262019 0.0411291 -0.0317518 -0.0218322 2.6832072 -0.0238412 0.0100717 -0.0670804 2.8097147 2 Sr 2.4262019 0.0411291 -0.0317518 -0.0218322 2.6832072 -0.0238412 0.0100717 -0.0670804 2.8097147 3 Sr 2.4262019 -0.0411291 -0.0317518 0.0218322 2.6832072 0.0238412 0.0100717 0.0670804 2.8097147 4 Sr 2.4262019 -0.0411291 -0.0317518 0.0218322 2.6832072 0.0238412 0.0100717 0.0670804 2.8097147 5 P 3.5797592 0.3608156 -0.0057240 -0.3371643 3.2157590 -0.2369895 -0.0355652 0.3970078 2.9271210 6 P 3.5797592 0.3608156 -0.0057240 -0.3371643 3.2157590 -0.2369895 -0.0355652 0.3970078 2.9271210 7 P 3.6027254 0.3676386 0.0253691 -0.4697490 3.4337916 -0.1445512 -0.0509815 0.1433034 2.9357936 8 P 3.6027254 0.3676386 0.0253691 -0.4697490 3.4337916 -0.1445512 -0.0509815 0.1433034 2.9357936 9 P 3.5797592 -0.3608156 -0.0057240 0.3371643 3.2157590 0.2369895 -0.0355652 -0.3970078 2.9271210 10 P 3.6027254 -0.3676386 0.0253691 0.4697490 3.4337916 0.1445512 -0.0509815 -0.1433034 2.9357936 11 P 3.6027254 -0.3676386 0.0253691 0.4697490 3.4337916 0.1445512 -0.0509815 -0.1433034 2.9357936 12 P 3.5797592 -0.3608156 -0.0057240 0.3371643 3.2157590 0.2369895 -0.0355652 -0.3970078 2.9271210 13 O -2.4058765 -1.0054526 -0.0437712 -0.7580646 -1.7560693 0.1904735 0.0035775 0.2875948 -1.0590324 14 O -0.9879315 0.0454613 -0.0432530 -0.0827601 -1.5093602 -0.2000663 -0.0535967 -0.0324182 -2.0262250 15 O -0.9879315 0.0454613 -0.0432530 -0.0827601 -1.5093602 -0.2000663 -0.0535967 -0.0324182 -2.0262250 16 O -1.4538630 -0.0553167 0.1595967 -0.1764285 -1.4271983 0.4774385 0.1655635 0.5329668 -1.5281719 17 O -0.9879315 -0.0454613 -0.0432530 0.0827601 -1.5093602 0.2000663 -0.0535967 0.0324182 -2.0262250 18 O -1.0047343 -0.0658815 0.1024151 -0.2363643 -1.9658160 0.6010567 0.1227918 0.5379470 -1.3383219 19 O -1.4538630 0.0553167 0.1595967 0.1764285 -1.4271983 -0.4774385 0.1655635 -0.5329668 -1.5281719 20 O -2.3259844 1.0594729 -0.1190404 0.8421689 -1.6505965 -0.0639578 -0.1263694 0.0047259 -0.8974342 21 O -2.4058765 -1.0054526 -0.0437712 -0.7580646 -1.7560693 0.1904735 0.0035775 0.2875948 -1.0590324 22 O -1.4538630 -0.0553167 0.1595967 -0.1764285 -1.4271983 0.4774385 0.1655635 0.5329668 -1.5281719 23 O -1.4302968 -0.0462259 -0.0438404 0.0328259 -1.0237175 0.3557503 -0.0354917 0.0680596 -1.8234439 24 O -0.9879315 -0.0454613 -0.0432530 0.0827601 -1.5093602 0.2000663 -0.0535967 0.0324182 -2.0262250 25 O -1.4302968 0.0462259 -0.0438404 -0.0328259 -1.0237175 -0.3557503 -0.0354917 -0.0680596 -1.8234439 26 O -1.0047343 -0.0658815 0.1024151 -0.2363643 -1.9658160 0.6010567 0.1227918 0.5379470 -1.3383219 27 O -2.4058765 1.0054526 -0.0437712 0.7580646 -1.7560693 -0.1904735 0.0035775 -0.2875948 -1.0590324 28 O -2.3259844 -1.0594729 -0.1190404 -0.8421689 -1.6505965 0.0639578 -0.1263694 -0.0047259 -0.8974342 29 O -1.0047343 0.0658815 0.1024151 0.2363643 -1.9658160 -0.6010567 0.1227918 -0.5379470 -1.3383219 30 O -1.4302968 -0.0462259 -0.0438404 0.0328259 -1.0237175 0.3557503 -0.0354917 0.0680596 -1.8234439 31 O -2.4058765 1.0054526 -0.0437712 0.7580646 -1.7560693 -0.1904735 0.0035775 -0.2875948 -1.0590324 32 O -2.3259844 1.0594729 -0.1190404 0.8421689 -1.6505965 -0.0639578 -0.1263694 0.0047259 -0.8974342 33 O -1.4538630 0.0553167 0.1595967 0.1764285 -1.4271983 -0.4774385 0.1655635 -0.5329668 -1.5281719 34 O -2.3259844 -1.0594729 -0.1190404 -0.8421689 -1.6505965 0.0639578 -0.1263694 -0.0047259 -0.8974342 35 O -1.0047343 0.0658815 0.1024151 0.2363643 -1.9658160 -0.6010567 0.1227918 -0.5379470 -1.3383219 36 O -1.4302968 0.0462259 -0.0438404 -0.0328259 -1.0237175 -0.3557503 -0.0354917 -0.0680596 -1.8234439 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyz) 0.00000000 (yyz) 0.00000000 (yzy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 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 1.409 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.145 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.315 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.991 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.362 ( 0.000 0.000 0.000) 0.000 4.512 ( 0.000 0.000 0.000) 0.000 4.586 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.218 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.273 ( 0.000 0.000 0.000) 0.000 5.365 ( 0.000 0.000 0.000) 0.000 5.399 ( 0.000 0.000 0.000) 0.000 5.467 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 6.859 ( 0.000 0.000 0.000) 0.000 7.004 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.301 ( 0.000 0.000 0.000) 0.000 8.354 ( 0.000 0.000 0.000) 0.000 8.447 ( 0.000 0.000 0.000) 0.000 8.466 ( 0.000 0.000 0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.067 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 11.168 ( 0.000 0.000 0.000) 0.000 11.530 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 11.633 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 0.000) 0.000 12.491 ( 0.000 0.000 0.000) 0.000 12.542 ( 0.000 0.000 0.000) 0.000 12.546 ( 0.000 0.000 0.000) 0.000 13.820 ( 0.000 0.000 0.000) 0.000 13.838 ( 0.000 0.000 0.000) 0.000 14.087 ( 0.000 0.000 0.000) 0.000 14.212 ( 0.000 0.000 0.000) 0.000 14.338 ( 0.000 0.000 0.000) 0.000 14.370 ( 0.000 0.000 0.000) 0.000 14.372 ( 0.000 0.000 0.000) 0.000 14.377 ( 0.000 0.000 0.000) 0.000 16.126 ( 0.000 0.000 0.000) 0.000 16.193 ( 0.000 0.000 0.000) 0.000 16.255 ( 0.000 0.000 0.000) 0.000 16.328 ( 0.000 0.000 0.000) 0.000 17.234 ( 0.000 0.000 0.000) 0.000 17.240 ( 0.000 0.000 0.000) 0.000 17.487 ( 0.000 0.000 0.000) 0.000 17.575 ( 0.000 0.000 0.000) 0.000 19.973 ( 0.000 0.000 0.000) 0.000 20.060 ( 0.000 0.000 0.000) 0.000 20.133 ( 0.000 0.000 0.000) 0.000 20.228 ( 0.000 0.000 0.000) 0.000 22.606 ( 0.000 0.000 0.000) 0.000 22.639 ( 0.000 0.000 0.000) 0.000 22.945 ( 0.000 0.000 0.000) 0.000 23.011 ( 0.000 0.000 0.000) 0.000 25.282 ( 0.000 0.000 0.000) 0.000 25.286 ( 0.000 0.000 0.000) 0.000 25.286 ( 0.000 0.000 0.000) 0.000 25.293 ( 0.000 0.000 0.000) 0.000 29.496 ( 0.000 0.000 0.000) 0.000 29.507 ( 0.000 0.000 0.000) 0.000 29.747 ( 0.000 0.000 0.000) 0.000 29.805 ( 0.000 0.000 0.000) 0.000 30.626 ( 0.000 0.000 0.000) 0.000 30.990 ( 0.000 0.000 0.000) 0.000 31.392 ( 0.000 0.000 0.000) 0.000 32.165 ( 0.000 0.000 0.000) 0.000 33.008 ( 0.000 0.000 0.000) 0.000 33.075 ( 0.000 0.000 0.000) 0.000 33.529 ( 0.000 0.000 0.000) 0.000 33.547 ( 0.000 0.000 0.000) 0.000 35.833 ( 0.000 0.000 0.000) 0.000 35.914 ( 0.000 0.000 0.000) 0.000 36.424 ( 0.000 0.000 0.000) 0.000 36.718 ( 0.000 0.000 0.000) 0.000 37.241 ( 0.000 0.000 0.000) 0.000 37.470 ( 0.000 0.000 0.000) 0.000 37.758 ( 0.000 0.000 0.000) 0.000 38.997 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 22.501 0.000 4.441) 22.935 0.480 ( 27.114 0.000 17.612) 32.332 1.078 ( 51.365 0.000 -15.872) 53.762 1.705 ( 18.305 0.000 -3.069) 18.560 2.053 ( 6.375 0.000 -1.963) 6.670 2.124 ( 6.721 0.000 7.089) 9.769 2.162 ( 13.674 0.000 -2.233) 13.855 2.175 ( 0.818 0.000 -3.113) 3.218 2.249 ( 3.404 0.000 12.260) 12.724 2.350 ( 4.240 0.000 5.490) 6.937 2.387 ( 5.736 0.000 -6.763) 8.868 2.561 ( 3.463 0.000 -6.993) 7.804 2.702 ( 5.317 0.000 4.460) 6.940 2.873 ( 21.483 0.000 1.271) 21.521 2.921 ( 10.279 0.000 1.663) 10.412 3.269 ( 2.501 0.000 3.135) 4.011 3.413 ( 0.918 0.000 -0.508) 1.049 3.821 ( 0.222 0.000 2.125) 2.137 3.952 ( 4.359 0.000 -4.298) 6.122 3.992 ( 9.862 0.000 9.561) 13.736 4.145 ( -3.024 0.000 -8.147) 8.690 4.179 ( -6.135 0.000 -0.702) 6.175 4.392 ( 4.452 0.000 -0.232) 4.458 4.516 ( 0.843 0.000 2.389) 2.534 4.547 ( -3.826 0.000 9.154) 9.922 4.610 ( 0.384 0.000 -10.599) 10.606 4.783 ( -5.369 0.000 1.237) 5.509 4.837 ( -4.474 0.000 -2.038) 4.916 4.973 ( 0.878 0.000 -12.735) 12.765 4.984 ( 1.237 0.000 4.957) 5.109 5.162 ( -5.978 0.000 -2.556) 6.502 5.217 ( 0.938 0.000 2.021) 2.228 5.367 ( 2.883 0.000 1.202) 3.124 5.436 ( 3.705 0.000 -0.568) 3.748 5.439 ( 4.827 0.000 1.632) 5.096 5.477 ( 1.952 0.000 2.911) 3.505 6.784 ( 4.056 0.000 -0.471) 4.084 6.885 ( 3.393 0.000 -3.512) 4.883 7.033 ( -1.729 0.000 3.044) 3.501 7.132 ( 2.171 0.000 0.314) 2.194 8.177 ( 7.892 0.000 1.560) 8.045 8.216 ( 3.489 0.000 -0.749) 3.568 8.306 ( 0.517 0.000 0.719) 0.885 8.347 ( -0.565 0.000 0.105) 0.574 8.527 ( 7.648 0.000 2.361) 8.004 8.542 ( 4.210 0.000 -2.292) 4.794 8.586 ( 5.444 0.000 0.793) 5.502 8.695 ( 3.860 0.000 -1.052) 4.001 10.979 ( -6.291 0.000 0.609) 6.320 11.021 ( -3.949 0.000 1.913) 4.388 11.069 ( -2.181 0.000 -0.086) 2.183 11.182 ( -2.415 0.000 0.157) 2.420 11.427 ( -8.766 0.000 -2.055) 9.004 11.553 ( -6.815 0.000 3.338) 7.589 11.574 ( -2.473 0.000 1.916) 3.128 11.626 ( -4.672 0.000 -0.658) 4.718 12.454 ( 1.547 0.000 -0.237) 1.565 12.482 ( -0.309 0.000 0.877) 0.930 12.617 ( 5.143 0.000 0.125) 5.145 12.623 ( 5.786 0.000 0.936) 5.862 13.896 ( 5.086 0.000 0.818) 5.152 13.919 ( 8.998 0.000 -0.390) 9.007 14.156 ( -5.040 0.000 0.389) 5.055 14.207 ( -8.615 0.000 0.630) 8.638 14.394 ( 12.177 0.000 0.713) 12.198 14.535 ( 8.636 0.000 -0.494) 8.650 14.633 ( 14.896 0.000 -0.297) 14.899 15.849 ( -13.555 0.000 -15.956) 20.936 16.190 ( 6.055 0.000 -0.299) 6.062 16.297 ( 4.936 0.000 -0.105) 4.937 16.336 ( 1.002 0.000 -0.211) 1.024 16.525 ( 5.065 0.000 -7.231) 8.828 17.121 ( -10.999 0.000 0.416) 11.007 17.128 ( -10.955 0.000 -0.450) 10.964 17.342 ( -14.031 0.000 1.719) 14.136 17.507 ( -15.154 0.000 -5.035) 15.969 20.065 ( 1.651 0.000 -1.134) 2.003 20.111 ( 4.278 0.000 3.543) 5.554 20.267 ( 10.449 0.000 9.494) 14.118 20.292 ( 6.320 0.000 -0.343) 6.329 22.599 ( -0.786 0.000 0.569) 0.970 22.661 ( 1.677 0.000 -0.507) 1.753 22.942 ( -0.391 0.000 -0.708) 0.809 22.993 ( -1.815 0.000 0.889) 2.021 25.471 ( 19.719 0.000 1.338) 19.765 25.471 ( 17.837 0.000 -0.329) 17.840 25.566 ( 23.893 0.000 -1.314) 23.929 28.386 ( 1.060 0.000 -27.364) 27.385 29.477 ( -1.856 0.000 -0.587) 1.946 29.501 ( -0.690 0.000 0.491) 0.847 29.746 ( -0.275 0.000 0.959) 0.998 29.945 ( 0.863 0.000 -4.966) 5.040 30.665 ( 3.919 0.000 0.190) 3.924 31.017 ( 2.737 0.000 -0.214) 2.746 31.373 ( -1.573 0.000 -0.684) 1.716 32.103 ( -7.693 0.000 5.765) 9.613 32.967 ( -3.932 0.000 0.727) 3.998 33.276 ( -5.924 0.000 40.355) 40.787 33.476 ( -5.181 0.000 -1.337) 5.351 33.497 ( -4.930 0.000 -0.267) 4.937 35.837 ( 0.372 0.000 0.613) 0.717 35.911 ( -0.219 0.000 -0.392) 0.449 36.419 ( -0.452 0.000 -0.198) 0.494 36.698 ( -2.013 0.000 -0.680) 2.125 37.233 ( -0.781 0.000 -0.082) 0.786 37.435 ( -3.225 0.000 0.228) 3.233 37.736 ( -4.874 0.000 -19.043) 19.657 38.874 ( -11.707 0.000 1.522) 11.806 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( 21.994 0.000 5.206) 22.601 1.063 ( 28.703 0.000 10.210) 30.465 1.838 ( 6.372 0.000 -3.494) 7.267 1.967 ( 24.733 0.000 -9.907) 26.643 2.104 ( -5.054 0.000 6.431) 8.180 2.112 ( -2.437 0.000 -5.226) 5.766 2.194 ( 6.844 0.000 -4.770) 8.342 2.347 ( 14.602 0.000 -1.898) 14.725 2.501 ( 6.561 0.000 -8.286) 10.570 2.591 ( 19.953 0.000 8.988) 21.884 2.620 ( 11.821 0.000 -2.034) 11.995 2.781 ( 2.644 0.000 10.896) 11.212 2.889 ( 23.655 0.000 3.616) 23.930 3.086 ( 6.642 0.000 2.874) 7.237 3.263 ( 13.733 0.000 -1.142) 13.781 3.323 ( 0.568 0.000 1.488) 1.592 3.418 ( -0.582 0.000 7.027) 7.051 3.758 ( -7.097 0.000 0.845) 7.148 4.028 ( 2.215 0.000 -6.402) 6.774 4.060 ( -4.031 0.000 -11.200) 11.903 4.108 ( -0.532 0.000 0.314) 0.618 4.257 ( 11.812 0.000 -0.897) 11.846 4.446 ( -6.661 0.000 10.469) 12.408 4.580 ( 10.157 0.000 2.901) 10.563 4.595 ( -0.214 0.000 -8.979) 8.981 4.644 ( 13.695 0.000 -5.025) 14.588 4.657 ( -11.560 0.000 1.243) 11.626 4.684 ( -1.920 0.000 0.234) 1.934 4.994 ( -0.463 0.000 6.969) 6.984 5.013 ( 3.131 0.000 -2.354) 3.917 5.111 ( 1.095 0.000 -1.770) 2.081 5.268 ( 3.929 0.000 1.141) 4.092 5.415 ( 2.571 0.000 -0.819) 2.698 5.510 ( 4.399 0.000 0.144) 4.402 5.568 ( 7.180 0.000 0.201) 7.183 5.602 ( 11.229 0.000 -0.324) 11.234 6.909 ( 8.454 0.000 0.667) 8.481 7.016 ( 9.923 0.000 -3.447) 10.504 7.058 ( 5.636 0.000 1.111) 5.744 7.210 ( 6.413 0.000 0.462) 6.430 8.276 ( 0.396 0.000 0.429) 0.584 8.288 ( 0.455 0.000 0.541) 0.707 8.351 ( 5.102 0.000 3.073) 5.956 8.361 ( 3.739 0.000 -2.386) 4.436 8.677 ( 9.554 0.000 -2.985) 10.009 8.717 ( 10.347 0.000 1.810) 10.504 8.781 ( 13.886 0.000 4.447) 14.581 8.851 ( 12.080 0.000 -3.098) 12.471 10.807 ( -11.765 0.000 1.408) 11.849 10.832 ( -14.840 0.000 -0.916) 14.868 10.944 ( -10.906 0.000 0.539) 10.919 11.029 ( -12.015 0.000 -0.376) 12.021 11.276 ( -2.833 0.000 -1.881) 3.401 11.491 ( 2.206 0.000 3.553) 4.183 11.589 ( 2.078 0.000 -1.994) 2.880 11.593 ( 4.249 0.000 1.576) 4.532 12.496 ( 1.643 0.000 0.559) 1.736 12.501 ( 2.729 0.000 -0.070) 2.730 12.705 ( 3.181 0.000 -0.165) 3.186 12.718 ( 2.863 0.000 1.103) 3.068 13.910 ( -5.252 0.000 -0.010) 5.252 14.013 ( -10.372 0.000 0.929) 10.414 14.136 ( 10.866 0.000 -0.668) 10.886 14.186 ( 7.277 0.000 0.698) 7.310 14.644 ( 11.162 0.000 0.580) 11.177 14.718 ( 9.126 0.000 -0.699) 9.153 14.877 ( 7.848 0.000 0.797) 7.888 15.535 ( -15.633 0.000 -6.940) 17.104 16.321 ( 4.461 0.000 -2.000) 4.889 16.366 ( 0.610 0.000 0.118) 0.621 16.394 ( 2.077 0.000 -1.265) 2.432 16.533 ( -6.081 0.000 1.817) 6.347 16.818 ( -18.158 0.000 -1.398) 18.212 16.822 ( -16.734 0.000 1.084) 16.769 16.962 ( -21.847 0.000 3.002) 22.052 17.134 ( -18.515 0.000 -3.520) 18.846 20.182 ( 10.997 0.000 -1.039) 11.046 20.292 ( 13.676 0.000 -1.307) 13.738 20.488 ( 13.184 0.000 -0.543) 13.195 20.536 ( 15.316 0.000 4.223) 15.888 22.569 ( -2.363 0.000 0.938) 2.542 22.677 ( -0.783 0.000 -0.954) 1.234 22.916 ( -2.507 0.000 -0.727) 2.610 22.936 ( -4.012 0.000 1.090) 4.158 25.965 ( 29.828 0.000 -0.380) 29.830 26.014 ( 31.768 0.000 2.501) 31.867 26.179 ( 34.907 0.000 -2.351) 34.986 28.391 ( 0.511 0.000 -11.894) 11.905 29.422 ( -3.478 0.000 -1.021) 3.625 29.476 ( -1.894 0.000 0.887) 2.092 29.723 ( -2.561 0.000 1.688) 3.067 29.957 ( 0.262 0.000 -3.267) 3.277 30.789 ( 8.485 0.000 0.376) 8.494 31.109 ( 6.609 0.000 -0.440) 6.624 31.348 ( -0.091 0.000 -1.232) 1.235 31.913 ( -10.137 0.000 2.309) 10.397 32.855 ( -7.125 0.000 1.600) 7.302 33.136 ( -9.554 0.000 19.375) 21.602 33.322 ( -9.811 0.000 -2.669) 10.168 33.352 ( -9.293 0.000 -0.080) 9.294 35.848 ( 0.668 0.000 0.990) 1.194 35.907 ( -0.106 0.000 -0.751) 0.758 36.409 ( -0.342 0.000 -0.360) 0.497 36.636 ( -3.990 0.000 -1.207) 4.168 37.212 ( -1.228 0.000 -0.241) 1.252 37.352 ( -4.659 0.000 0.444) 4.680 37.594 ( -7.819 0.000 -8.759) 11.742 38.564 ( -18.001 0.000 2.380) 18.157 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 20.352 0.000 6.529) 21.374 1.618 ( 25.079 0.000 4.367) 25.456 1.954 ( 5.655 0.000 -3.692) 6.753 1.979 ( -5.438 0.000 0.397) 5.453 2.070 ( 1.191 0.000 -3.625) 3.816 2.128 ( 3.096 0.000 -0.368) 3.118 2.458 ( 10.689 0.000 -0.258) 10.692 2.625 ( 5.820 0.000 -9.590) 11.218 2.752 ( 20.401 0.000 -2.836) 20.597 2.781 ( 2.530 0.000 -0.844) 2.667 2.836 ( 4.334 0.000 5.527) 7.023 2.966 ( 13.648 0.000 5.269) 14.630 3.206 ( 6.092 0.000 0.003) 6.092 3.212 ( 1.879 0.000 0.334) 1.909 3.319 ( 3.951 0.000 7.997) 8.919 3.399 ( -1.076 0.000 3.846) 3.993 3.422 ( 3.284 0.000 1.973) 3.831 3.624 ( -4.805 0.000 1.346) 4.990 3.983 ( -3.668 0.000 -8.857) 9.586 4.017 ( -2.269 0.000 -3.622) 4.274 4.070 ( -2.992 0.000 2.228) 3.730 4.311 ( -5.749 0.000 3.545) 6.754 4.370 ( -0.575 0.000 -6.500) 6.526 4.395 ( -11.751 0.000 0.971) 11.791 4.572 ( 0.254 0.000 -6.082) 6.087 4.639 ( 1.493 0.000 6.368) 6.540 4.760 ( 0.052 0.000 0.126) 0.136 4.993 ( 8.890 0.000 -2.780) 9.315 5.048 ( 5.474 0.000 7.209) 9.052 5.096 ( 10.791 0.000 -4.739) 11.785 5.134 ( -0.547 0.000 -0.572) 0.791 5.370 ( 5.590 0.000 0.471) 5.610 5.466 ( 2.032 0.000 0.347) 2.061 5.647 ( 9.422 0.000 -2.522) 9.753 5.725 ( 7.752 0.000 0.727) 7.786 5.908 ( 16.693 0.000 0.554) 16.702 7.123 ( 13.007 0.000 3.219) 13.400 7.272 ( 14.953 0.000 -2.398) 15.144 7.304 ( 17.903 0.000 -1.224) 17.945 7.424 ( 14.523 0.000 0.147) 14.524 8.263 ( -0.030 0.000 1.048) 1.048 8.268 ( -1.389 0.000 -0.133) 1.396 8.445 ( 3.593 0.000 2.260) 4.244 8.454 ( 3.951 0.000 -2.583) 4.721 8.926 ( 15.115 0.000 -4.009) 15.638 8.968 ( 14.298 0.000 3.047) 14.619 9.100 ( 16.496 0.000 5.314) 17.330 9.164 ( 18.565 0.000 -4.216) 19.037 10.486 ( -17.642 0.000 -0.979) 17.669 10.529 ( -14.357 0.000 0.872) 14.383 10.654 ( -16.747 0.000 1.634) 16.826 10.746 ( -14.696 0.000 -1.383) 14.761 11.358 ( 10.596 0.000 -1.120) 10.655 11.631 ( 10.855 0.000 1.799) 11.003 11.707 ( 9.216 0.000 -0.720) 9.244 11.732 ( 9.393 0.000 1.336) 9.488 12.542 ( 2.372 0.000 0.222) 2.382 12.542 ( 0.681 0.000 -0.036) 0.682 12.735 ( -1.006 0.000 1.178) 1.549 12.749 ( 1.558 0.000 -0.586) 1.665 13.762 ( -8.240 0.000 -0.323) 8.246 13.798 ( -10.312 0.000 0.561) 10.327 14.286 ( -0.038 0.000 1.633) 1.634 14.300 ( 3.679 0.000 -0.965) 3.803 14.806 ( 3.149 0.000 0.104) 3.151 14.857 ( 2.263 0.000 -0.726) 2.377 14.963 ( 1.751 0.000 0.246) 1.768 15.248 ( -11.655 0.000 -3.082) 12.055 16.181 ( -17.965 0.000 1.262) 18.009 16.182 ( -21.196 0.000 -1.327) 21.237 16.239 ( -15.198 0.000 -2.423) 15.390 16.281 ( -17.205 0.000 1.530) 17.273 16.566 ( -5.141 0.000 -2.065) 5.541 16.593 ( -5.722 0.000 2.075) 6.086 16.648 ( -5.000 0.000 1.209) 5.144 16.856 ( -9.482 0.000 -0.301) 9.487 20.509 ( 20.518 0.000 -0.397) 20.522 20.646 ( 20.556 0.000 -0.571) 20.564 20.815 ( 18.560 0.000 -0.466) 18.566 20.874 ( 17.708 0.000 0.651) 17.720 22.500 ( -4.659 0.000 1.311) 4.840 22.615 ( -5.278 0.000 -1.255) 5.425 22.823 ( -7.548 0.000 0.734) 7.584 22.830 ( -6.205 0.000 -0.404) 6.218 26.621 ( 33.874 0.000 -0.263) 33.875 26.677 ( 32.255 0.000 2.159) 32.327 26.895 ( 34.482 0.000 -1.938) 34.537 28.387 ( -0.617 0.000 -5.964) 5.996 29.338 ( -4.705 0.000 -1.408) 4.911 29.422 ( -3.651 0.000 1.063) 3.802 29.628 ( -7.154 0.000 2.048) 7.442 29.931 ( -3.085 0.000 -2.661) 4.074 31.008 ( 13.062 0.000 0.548) 13.074 31.288 ( 11.175 0.000 -0.650) 11.194 31.394 ( 5.083 0.000 -1.322) 5.252 31.752 ( -4.602 0.000 0.942) 4.698 32.687 ( -9.566 0.000 2.516) 9.891 32.917 ( -12.877 0.000 10.699) 16.742 33.083 ( -13.388 0.000 -3.787) 13.913 33.129 ( -12.510 0.000 0.887) 12.541 35.864 ( 0.803 0.000 0.945) 1.240 35.908 ( 0.209 0.000 -0.659) 0.691 36.408 ( 0.324 0.000 -0.316) 0.453 36.540 ( -5.121 0.000 -1.524) 5.343 37.186 ( -1.210 0.000 -0.470) 1.298 37.263 ( -3.930 0.000 0.550) 3.968 37.431 ( -7.614 0.000 -4.680) 8.938 38.193 ( -17.916 0.000 2.433) 18.080 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 16.990 0.000 5.301) 17.797 1.873 ( -3.334 0.000 -1.424) 3.626 1.966 ( -1.291 0.000 -4.144) 4.340 2.064 ( 16.488 0.000 1.336) 16.542 2.224 ( 10.412 0.000 2.550) 10.720 2.250 ( 8.716 0.000 -0.402) 8.725 2.666 ( 9.710 0.000 0.285) 9.714 2.695 ( 1.139 0.000 -2.148) 2.431 2.805 ( 1.791 0.000 2.284) 2.902 2.893 ( -0.474 0.000 -2.575) 2.618 3.010 ( 2.695 0.000 -4.841) 5.540 3.055 ( 0.189 0.000 1.760) 1.771 3.207 ( -3.157 0.000 -4.180) 5.238 3.241 ( 4.356 0.000 4.504) 6.266 3.359 ( -2.164 0.000 4.131) 4.663 3.416 ( -3.259 0.000 3.305) 4.642 3.537 ( 9.512 0.000 3.571) 10.160 3.563 ( -0.151 0.000 -0.558) 0.578 3.877 ( -6.091 0.000 -2.158) 6.462 3.978 ( -1.116 0.000 -2.633) 2.860 4.023 ( -1.371 0.000 3.543) 3.799 4.208 ( -5.932 0.000 0.674) 5.970 4.242 ( -2.207 0.000 -0.619) 2.292 4.259 ( -8.348 0.000 -4.760) 9.610 4.610 ( 2.817 0.000 -3.249) 4.300 4.692 ( 2.399 0.000 1.761) 2.976 4.723 ( -1.790 0.000 1.632) 2.422 5.007 ( -1.493 0.000 -1.501) 2.117 5.080 ( -3.255 0.000 -0.462) 3.288 5.138 ( 1.993 0.000 6.338) 6.644 5.342 ( 8.735 0.000 -7.127) 11.274 5.474 ( 4.239 0.000 -0.556) 4.275 5.494 ( 1.223 0.000 1.207) 1.719 5.837 ( 2.557 0.000 3.419) 4.269 5.844 ( 8.942 0.000 -3.665) 9.664 6.187 ( 10.118 0.000 1.228) 10.192 7.445 ( 17.759 0.000 2.572) 17.945 7.573 ( 13.324 0.000 -1.171) 13.376 7.657 ( 13.465 0.000 0.958) 13.499 7.711 ( 11.477 0.000 -2.027) 11.654 8.277 ( 3.519 0.000 -2.028) 4.062 8.324 ( 6.027 0.000 2.559) 6.548 8.477 ( -1.233 0.000 0.696) 1.415 8.490 ( -0.139 0.000 -1.537) 1.543 9.257 ( 17.176 0.000 -4.710) 17.810 9.278 ( 15.343 0.000 3.639) 15.768 9.421 ( 14.262 0.000 4.850) 15.064 9.562 ( 19.234 0.000 -4.810) 19.826 10.173 ( -12.172 0.000 0.436) 12.180 10.274 ( -10.256 0.000 -0.545) 10.271 10.309 ( -16.546 0.000 2.935) 16.804 10.467 ( -12.144 0.000 -1.988) 12.306 11.688 ( 21.617 0.000 -0.439) 21.622 11.905 ( 15.051 0.000 -2.231) 15.216 11.963 ( 16.731 0.000 3.022) 17.002 11.978 ( 14.844 0.000 0.726) 14.862 12.517 ( -2.889 0.000 0.392) 2.915 12.556 ( -1.796 0.000 -0.566) 1.883 12.705 ( -1.563 0.000 1.826) 2.404 12.770 ( -0.062 0.000 -1.355) 1.356 13.601 ( -7.508 0.000 -0.094) 7.509 13.620 ( -6.956 0.000 0.155) 6.958 14.159 ( -11.633 0.000 1.862) 11.781 14.237 ( -9.342 0.000 -1.438) 9.452 14.670 ( -17.313 0.000 -0.036) 17.313 14.679 ( -20.427 0.000 -0.415) 20.431 14.932 ( -5.926 0.000 -0.159) 5.928 15.061 ( -8.080 0.000 -1.003) 8.142 15.891 ( -4.122 0.000 -2.393) 4.767 15.905 ( -5.187 0.000 2.061) 5.582 15.957 ( -7.346 0.000 -1.416) 7.481 15.968 ( -10.155 0.000 1.254) 10.233 16.472 ( -4.912 0.000 -0.576) 4.945 16.515 ( -3.903 0.000 0.038) 3.903 16.571 ( -4.837 0.000 0.707) 4.889 16.679 ( -8.968 0.000 0.413) 8.977 20.954 ( 22.105 0.000 -0.356) 22.107 21.068 ( 19.478 0.000 1.816) 19.562 21.196 ( 17.847 0.000 -0.086) 17.847 21.241 ( 18.388 0.000 -2.282) 18.529 22.387 ( -6.098 0.000 1.542) 6.290 22.474 ( -7.971 0.000 -1.360) 8.086 22.630 ( -11.307 0.000 0.559) 11.321 22.665 ( -9.860 0.000 -0.269) 9.863 27.270 ( 25.292 0.000 1.662) 25.347 27.287 ( 31.087 0.000 -0.286) 31.089 27.511 ( 25.482 0.000 -1.511) 25.527 28.346 ( -3.822 0.000 -2.435) 4.532 29.237 ( -4.808 0.000 -1.925) 5.179 29.329 ( -5.439 0.000 0.835) 5.503 29.442 ( -10.785 0.000 2.255) 11.018 29.833 ( -5.821 0.000 -1.824) 6.100 31.305 ( 15.784 0.000 0.653) 15.797 31.549 ( 14.218 0.000 -0.772) 14.239 31.550 ( 9.854 0.000 -0.976) 9.902 31.757 ( 4.935 0.000 -0.124) 4.937 32.477 ( -11.105 0.000 3.181) 11.552 32.637 ( -15.040 0.000 4.879) 15.811 32.790 ( -14.957 0.000 -4.275) 15.556 32.861 ( -13.666 0.000 2.150) 13.834 35.880 ( 0.685 0.000 0.551) 0.879 35.914 ( 0.366 0.000 -0.303) 0.475 36.411 ( -1.407 0.000 0.603) 1.531 36.452 ( -1.967 0.000 -2.135) 2.903 37.165 ( -0.781 0.000 -0.670) 1.029 37.201 ( -2.179 0.000 0.458) 2.227 37.294 ( -5.447 0.000 -2.095) 5.836 37.874 ( -13.183 0.000 1.830) 13.309 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -1.585 0.000 -0.775) 1.764 1.942 ( 0.271 0.000 -3.409) 3.419 2.000 ( 7.236 0.000 4.470) 8.506 2.322 ( 8.743 0.000 1.538) 8.877 2.393 ( 4.936 0.000 1.711) 5.224 2.397 ( 3.396 0.000 -2.039) 3.962 2.717 ( 2.104 0.000 4.945) 5.374 2.765 ( -0.772 0.000 1.365) 1.569 2.806 ( -5.605 0.000 -4.797) 7.378 2.851 ( 1.073 0.000 -0.363) 1.133 3.016 ( 4.251 0.000 -5.602) 7.032 3.113 ( 1.530 0.000 0.588) 1.639 3.146 ( -1.948 0.000 -1.595) 2.517 3.287 ( -0.375 0.000 2.242) 2.273 3.300 ( -2.762 0.000 2.911) 4.013 3.362 ( -1.049 0.000 1.068) 1.497 3.549 ( 0.492 0.000 -0.804) 0.943 3.709 ( 4.394 0.000 1.389) 4.608 3.757 ( -4.409 0.000 -0.562) 4.445 3.970 ( 0.042 0.000 -0.815) 0.816 4.021 ( 1.081 0.000 1.911) 2.196 4.094 ( -6.312 0.000 -1.997) 6.620 4.138 ( -1.397 0.000 0.535) 1.496 4.216 ( -0.540 0.000 -0.645) 0.841 4.653 ( 1.188 0.000 -0.972) 1.535 4.700 ( 0.138 0.000 -0.859) 0.870 4.726 ( 0.053 0.000 1.487) 1.488 4.980 ( -0.793 0.000 -0.749) 1.091 5.030 ( -1.185 0.000 -0.265) 1.214 5.157 ( 0.050 0.000 2.795) 2.795 5.441 ( 2.174 0.000 -2.731) 3.491 5.500 ( 0.043 0.000 0.279) 0.282 5.556 ( 2.718 0.000 -1.082) 2.926 5.846 ( -0.794 0.000 2.582) 2.701 5.970 ( 3.272 0.000 -1.839) 3.753 6.320 ( 3.176 0.000 0.777) 3.269 7.736 ( 2.889 0.000 -0.272) 2.902 7.751 ( 8.034 0.000 -0.462) 8.048 7.818 ( 5.525 0.000 2.996) 6.285 7.887 ( 6.032 0.000 -1.793) 6.293 8.381 ( 3.821 0.000 -2.851) 4.768 8.398 ( -0.825 0.000 1.799) 1.979 8.401 ( -4.187 0.000 1.002) 4.306 8.509 ( 2.908 0.000 -0.466) 2.945 9.531 ( 7.551 0.000 2.001) 7.812 9.588 ( 15.249 0.000 -4.631) 15.937 9.649 ( 6.986 0.000 2.539) 7.433 9.796 ( 1.786 0.000 -2.234) 2.860 9.943 ( -12.673 0.000 3.083) 13.042 10.119 ( -4.847 0.000 -1.160) 4.983 10.132 ( 1.274 0.000 1.389) 1.885 10.284 ( -5.032 0.000 -1.194) 5.172 12.151 ( 19.993 0.000 -0.782) 20.009 12.199 ( 12.292 0.000 0.180) 12.293 12.299 ( 13.286 0.000 0.659) 13.302 12.338 ( 16.718 0.000 0.449) 16.724 12.452 ( -1.573 0.000 1.590) 2.236 12.484 ( -3.752 0.000 -2.320) 4.412 12.637 ( -6.742 0.000 2.715) 7.268 12.691 ( -8.791 0.000 -2.033) 9.023 13.465 ( -5.234 0.000 0.107) 5.235 13.524 ( -2.448 0.000 -0.015) 2.448 13.913 ( -9.126 0.000 0.851) 9.166 14.023 ( -8.038 0.000 -0.721) 8.070 14.228 ( -16.827 0.000 -0.246) 16.829 14.284 ( -14.045 0.000 0.040) 14.045 14.788 ( -5.264 0.000 0.055) 5.264 14.915 ( -4.834 0.000 -0.271) 4.841 15.896 ( 0.987 0.000 0.789) 1.264 15.917 ( 2.378 0.000 -1.621) 2.878 15.922 ( 3.033 0.000 0.838) 3.147 15.936 ( 1.966 0.000 -0.616) 2.061 16.399 ( -0.884 0.000 0.898) 1.260 16.436 ( -2.720 0.000 -0.942) 2.879 16.465 ( -4.415 0.000 1.052) 4.538 16.501 ( -7.544 0.000 -0.455) 7.557 21.340 ( 14.350 0.000 -0.706) 14.367 21.367 ( 8.568 0.000 1.513) 8.700 21.452 ( 4.845 0.000 0.487) 4.870 21.571 ( 11.652 0.000 -1.863) 11.800 22.300 ( -1.097 0.000 1.048) 1.517 22.336 ( -3.804 0.000 -0.779) 3.882 22.400 ( -9.700 0.000 0.529) 9.715 22.459 ( -8.921 0.000 -0.378) 8.928 27.649 ( 10.616 0.000 0.898) 10.654 27.841 ( 23.077 0.000 -0.412) 23.080 27.880 ( 10.022 0.000 -0.865) 10.059 28.197 ( -11.836 0.000 -0.234) 11.838 29.167 ( -1.055 0.000 -2.488) 2.703 29.227 ( -3.521 0.000 0.236) 3.528 29.240 ( -7.786 0.000 2.577) 8.202 29.737 ( -2.725 0.000 -0.637) 2.798 31.607 ( 12.180 0.000 0.687) 12.199 31.728 ( 4.901 0.000 -0.914) 4.985 31.822 ( 10.547 0.000 -1.191) 10.614 31.903 ( 7.256 0.000 0.277) 7.261 32.278 ( -6.780 0.000 2.603) 7.263 32.347 ( -11.905 0.000 1.051) 11.951 32.516 ( -9.764 0.000 -2.860) 10.174 32.620 ( -8.367 0.000 1.735) 8.545 35.890 ( 0.273 0.000 0.151) 0.312 35.920 ( 0.183 0.000 -0.052) 0.190 36.362 ( -1.686 0.000 -0.034) 1.687 36.455 ( 0.604 0.000 -0.582) 0.839 37.156 ( -0.147 0.000 -0.482) 0.504 37.174 ( -0.586 0.000 0.179) 0.612 37.216 ( -2.095 0.000 -0.396) 2.133 37.686 ( -5.002 0.000 0.698) 5.050 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( 0.000 24.810 0.000) 24.810 0.580 ( 0.000 30.951 0.000) 30.951 0.838 ( 0.000 43.244 0.000) 43.244 1.375 ( 0.000 -4.323 0.000) 4.323 1.854 ( 0.000 6.692 0.000) 6.692 1.983 ( 0.000 -11.831 0.000) 11.831 2.131 ( 0.000 -2.078 0.000) 2.078 2.180 ( 0.000 1.773 0.000) 1.773 2.203 ( 0.000 1.978 0.000) 1.978 2.355 ( 0.000 0.274 0.000) 0.274 2.419 ( 0.000 3.152 0.000) 3.152 2.471 ( 0.000 -5.415 0.000) 5.415 2.644 ( 0.000 0.435 0.000) 0.435 2.707 ( 0.000 -0.865 0.000) 0.865 2.808 ( 0.000 2.702 0.000) 2.702 3.000 ( 0.000 0.931 0.000) 0.931 3.212 ( 0.000 -3.996 0.000) 3.996 3.437 ( 0.000 1.428 0.000) 1.428 3.812 ( 0.000 -3.623 0.000) 3.623 3.861 ( 0.000 -21.371 0.000) 21.371 4.155 ( 0.000 12.755 0.000) 12.755 4.288 ( 0.000 -6.885 0.000) 6.885 4.318 ( 0.000 -3.583 0.000) 3.583 4.535 ( 0.000 0.182 0.000) 0.182 4.608 ( 0.000 6.566 0.000) 6.566 4.667 ( 0.000 2.907 0.000) 2.907 4.830 ( 0.000 -0.897 0.000) 0.897 4.909 ( 0.000 2.247 0.000) 2.247 5.103 ( 0.000 -8.646 0.000) 8.646 5.109 ( 0.000 5.970 0.000) 5.970 5.208 ( 0.000 -5.179 0.000) 5.179 5.239 ( 0.000 2.789 0.000) 2.789 5.304 ( 0.000 5.027 0.000) 5.027 5.362 ( 0.000 -6.723 0.000) 6.723 5.397 ( 0.000 -1.212 0.000) 1.212 5.639 ( 0.000 0.106 0.000) 0.106 6.759 ( 0.000 1.579 0.000) 1.579 6.915 ( 0.000 -5.681 0.000) 5.681 7.202 ( 0.000 6.071 0.000) 6.071 7.240 ( 0.000 2.117 0.000) 2.117 8.088 ( 0.000 1.034 0.000) 1.034 8.125 ( 0.000 -3.099 0.000) 3.099 8.357 ( 0.000 -8.093 0.000) 8.093 8.367 ( 0.000 -7.117 0.000) 7.117 8.394 ( 0.000 6.493 0.000) 6.493 8.435 ( 0.000 4.874 0.000) 4.874 8.574 ( 0.000 1.472 0.000) 1.472 8.621 ( 0.000 1.288 0.000) 1.288 10.907 ( 0.000 0.606 0.000) 0.606 11.044 ( 0.000 -3.520 0.000) 3.520 11.085 ( 0.000 1.872 0.000) 1.872 11.216 ( 0.000 -1.001 0.000) 1.001 11.538 ( 0.000 0.893 0.000) 0.893 11.623 ( 0.000 -1.090 0.000) 1.090 11.627 ( 0.000 1.676 0.000) 1.676 11.703 ( 0.000 -0.590 0.000) 0.590 12.473 ( 0.000 -0.562 0.000) 0.562 12.486 ( 0.000 -0.469 0.000) 0.469 12.558 ( 0.000 1.126 0.000) 1.126 12.564 ( 0.000 1.636 0.000) 1.636 13.871 ( 0.000 5.068 0.000) 5.068 14.082 ( 0.000 -0.651 0.000) 0.651 14.220 ( 0.000 0.671 0.000) 0.671 14.225 ( 0.000 -0.147 0.000) 0.147 14.346 ( 0.000 -1.533 0.000) 1.533 14.362 ( 0.000 -0.876 0.000) 0.876 14.401 ( 0.000 1.332 0.000) 1.332 14.463 ( 0.000 -0.731 0.000) 0.731 16.139 ( 0.000 1.306 0.000) 1.306 16.201 ( 0.000 0.994 0.000) 0.994 16.238 ( 0.000 -1.740 0.000) 1.740 16.341 ( 0.000 -2.031 0.000) 2.031 17.272 ( 0.000 3.282 0.000) 3.282 17.471 ( 0.000 -1.761 0.000) 1.761 17.546 ( 0.000 0.501 0.000) 0.501 17.573 ( 0.000 -0.218 0.000) 0.218 19.968 ( 0.000 -0.336 0.000) 0.336 20.041 ( 0.000 -2.445 0.000) 2.445 20.144 ( 0.000 1.089 0.000) 1.089 20.220 ( 0.000 -0.879 0.000) 0.879 22.677 ( 0.000 3.863 0.000) 3.863 22.920 ( 0.000 -2.566 0.000) 2.566 23.004 ( 0.000 0.226 0.000) 0.226 23.014 ( 0.000 0.136 0.000) 0.136 25.286 ( 0.000 0.011 0.000) 0.011 25.286 ( 0.000 0.001 0.000) 0.001 25.293 ( 0.000 -0.003 0.000) 0.003 25.297 ( 0.000 -0.113 0.000) 0.113 29.546 ( 0.000 3.847 0.000) 3.847 29.736 ( 0.000 -1.176 0.000) 1.176 29.742 ( 0.000 0.242 0.000) 0.242 29.796 ( 0.000 -1.012 0.000) 1.012 31.028 ( 0.000 4.003 0.000) 4.003 31.353 ( 0.000 -4.066 0.000) 4.066 32.175 ( 0.000 0.949 0.000) 0.949 32.243 ( 0.000 -0.840 0.000) 0.840 33.022 ( 0.000 0.045 0.000) 0.045 33.064 ( 0.000 -1.046 0.000) 1.046 33.537 ( 0.000 0.795 0.000) 0.795 33.552 ( 0.000 0.430 0.000) 0.430 35.840 ( 0.000 0.756 0.000) 0.756 35.906 ( 0.000 -0.885 0.000) 0.885 36.439 ( 0.000 1.709 0.000) 1.709 36.670 ( 0.000 -5.555 0.000) 5.555 37.342 ( 0.000 9.356 0.000) 9.356 37.738 ( 0.000 -2.305 0.000) 2.305 38.416 ( 0.000 3.952 0.000) 3.952 38.917 ( 0.000 -8.303 0.000) 8.303 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.09 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 13.290 24.403 -3.430) 27.998 0.819 ( 14.295 24.798 5.934) 29.232 1.235 ( 40.808 16.810 -5.638) 44.493 1.649 ( 21.218 -4.714 -2.480) 21.876 1.956 ( 2.617 -9.721 1.814) 10.229 2.109 ( -1.578 -3.939 -1.898) 4.648 2.169 ( 10.577 0.773 3.639) 11.212 2.192 ( 1.289 0.710 -3.477) 3.776 2.265 ( 14.031 2.155 9.092) 16.858 2.384 ( 5.871 4.070 11.568) 13.596 2.449 ( 7.932 5.575 -7.998) 12.568 2.598 ( 1.483 2.950 -8.084) 8.732 2.701 ( 2.395 -0.345 3.328) 4.115 2.837 ( 21.222 -3.892 1.401) 21.622 2.885 ( 7.170 -2.771 2.090) 7.966 3.204 ( 10.156 -3.214 0.974) 10.697 3.417 ( -0.191 0.628 -2.680) 2.760 3.630 ( 20.677 -14.674 4.362) 25.727 3.818 ( 0.774 -15.497 -2.429) 15.706 3.843 ( 3.701 -8.323 2.093) 9.346 4.139 ( -1.195 11.213 -3.973) 11.956 4.225 ( -3.961 -4.339 -8.732) 10.524 4.345 ( 2.729 -5.469 6.292) 8.772 4.511 ( -2.110 2.162 3.576) 4.681 4.612 ( -0.017 3.918 -8.700) 9.541 4.646 ( -1.212 5.422 5.508) 7.823 4.847 ( 0.746 -0.197 -1.379) 1.580 4.886 ( -5.067 4.676 4.109) 8.026 4.986 ( -6.121 0.859 0.369) 6.192 5.099 ( -1.071 4.107 -3.517) 5.512 5.141 ( -5.017 -1.830 -2.171) 5.765 5.207 ( -0.295 0.552 1.286) 1.431 5.332 ( -2.346 -4.077 -1.487) 4.933 5.364 ( 7.722 -0.832 -0.805) 7.809 5.468 ( 4.700 -1.518 1.416) 5.138 5.541 ( -1.303 4.562 1.634) 5.018 6.799 ( 3.908 1.604 0.069) 4.225 6.946 ( 2.780 -4.456 0.904) 5.329 6.991 ( -4.436 7.200 -2.648) 8.862 7.199 ( -3.236 3.072 1.857) 4.833 8.158 ( 4.512 -1.995 -0.837) 5.004 8.197 ( 7.777 0.964 1.554) 7.989 8.333 ( -0.650 -0.519 -0.090) 0.837 8.348 ( -0.147 -0.280 0.721) 0.787 8.489 ( 7.379 -0.060 -0.312) 7.386 8.572 ( 6.348 1.353 1.787) 6.732 8.632 ( 5.101 2.543 -0.103) 5.701 8.684 ( 5.977 -0.981 -1.194) 6.174 10.950 ( -2.394 -1.725 1.260) 3.208 11.022 ( -2.050 -1.175 0.047) 2.363 11.060 ( -3.212 0.529 0.620) 3.314 11.178 ( -3.720 -0.784 0.572) 3.844 11.435 ( -8.799 0.893 -1.313) 8.941 11.551 ( -3.448 -1.841 1.038) 4.044 11.560 ( -8.622 0.127 2.548) 8.991 11.606 ( -2.866 -0.937 -1.622) 3.423 12.492 ( 0.539 0.947 0.958) 1.451 12.497 ( 1.553 2.734 -0.773) 3.238 12.612 ( 4.215 0.513 0.609) 4.290 12.641 ( 5.183 0.985 0.071) 5.277 13.909 ( 3.649 1.742 -0.401) 4.063 13.950 ( 5.975 2.774 0.627) 6.617 14.120 ( -5.107 -3.315 0.571) 6.115 14.184 ( -6.384 -2.575 -0.278) 6.889 14.429 ( 11.743 3.255 0.305) 12.190 14.538 ( 9.653 0.207 -0.495) 9.668 14.643 ( 14.075 1.189 -0.062) 14.126 15.327 ( 23.110 -38.567 -12.196) 46.586 16.207 ( 5.897 1.211 -0.159) 6.022 16.272 ( 6.546 -2.632 1.050) 7.133 16.295 ( 6.440 -3.149 -1.073) 7.249 16.345 ( 1.676 -2.625 -0.344) 3.133 17.157 ( -11.324 2.971 -0.203) 11.709 17.265 ( -17.497 5.646 -1.822) 18.475 17.338 ( -14.276 -0.049 2.524) 14.498 17.466 ( -14.043 -3.027 -2.231) 14.538 20.044 ( 3.449 -1.727 -0.025) 3.857 20.077 ( 5.873 -2.584 2.305) 6.818 20.230 ( 9.095 -0.636 1.847) 9.302 20.295 ( 7.185 -0.800 0.785) 7.272 22.694 ( 0.942 3.721 -0.589) 3.884 22.765 ( -8.380 10.781 0.870) 13.683 22.922 ( -0.294 -2.208 -0.527) 2.289 22.990 ( -2.296 -0.464 0.699) 2.445 25.460 ( 18.209 -0.249 0.108) 18.211 25.484 ( 20.846 0.249 0.807) 20.863 25.585 ( 24.758 2.575 -1.272) 24.924 26.735 ( 73.514 -74.289 -6.569) 104.721 29.537 ( -0.957 3.630 0.587) 3.800 29.678 ( -4.284 3.645 -1.128) 5.737 29.739 ( -0.402 -0.468 0.722) 0.950 29.839 ( 2.731 -3.674 -1.200) 4.732 31.050 ( 2.274 3.624 -0.408) 4.298 31.338 ( -1.143 -3.562 -0.979) 3.867 31.600 ( -33.738 37.469 -12.580) 51.966 32.098 ( -8.608 -0.589 4.308) 9.644 32.975 ( -3.718 0.807 1.436) 4.066 33.166 ( -0.090 -7.692 23.680) 24.898 33.484 ( -5.213 0.741 -1.030) 5.365 33.498 ( -5.187 0.270 -0.684) 5.239 35.841 ( 0.233 0.617 0.394) 0.768 35.903 ( -0.199 -0.849 0.158) 0.886 36.433 ( -0.537 1.622 -0.152) 1.715 36.649 ( -1.880 -4.928 -0.598) 5.308 37.290 ( -3.937 8.205 -0.052) 9.100 37.678 ( -5.516 -0.845 2.353) 6.056 37.951 ( -22.261 26.477 -11.358) 36.408 38.795 ( -11.572 -8.302 1.305) 14.302 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.18 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 17.645 12.771 -0.027) 21.782 1.184 ( 20.552 13.045 9.549) 26.148 1.848 ( 3.248 -1.412 -1.601) 3.887 1.935 ( 17.823 -0.295 -9.235) 20.076 2.055 ( -0.780 -5.903 -0.471) 5.973 2.116 ( -2.975 0.271 5.654) 6.395 2.233 ( 20.429 -5.632 -1.314) 21.232 2.356 ( 8.248 8.629 -5.195) 13.018 2.549 ( 11.269 3.289 -3.914) 12.375 2.569 ( 14.756 -0.321 6.378) 16.079 2.634 ( 8.399 2.216 -4.610) 9.833 2.740 ( 2.393 -4.453 9.263) 10.553 2.922 ( 17.705 0.133 1.225) 17.748 3.025 ( 11.978 -1.620 4.321) 12.836 3.196 ( 8.417 -6.391 3.443) 11.115 3.349 ( 2.291 2.398 0.606) 3.372 3.425 ( 1.392 1.942 1.679) 2.920 3.775 ( -1.171 0.329 0.608) 1.360 3.826 ( 5.682 -15.497 -5.752) 17.479 4.026 ( -2.629 -5.437 -1.868) 6.321 4.186 ( 0.183 -0.550 -7.523) 7.546 4.219 ( 13.781 2.230 -3.505) 14.394 4.370 ( -4.735 -6.089 8.741) 11.657 4.509 ( -5.917 -2.659 -2.069) 6.809 4.594 ( 10.750 3.725 0.202) 11.379 4.722 ( -1.659 3.135 0.733) 3.622 4.743 ( 6.649 6.889 -0.517) 9.589 4.813 ( -6.490 9.044 -3.294) 11.609 4.964 ( 2.183 -2.265 4.136) 5.196 5.007 ( -2.446 -1.781 0.338) 3.045 5.146 ( 2.126 2.929 -1.466) 3.905 5.272 ( 4.837 1.109 1.690) 5.243 5.334 ( 3.698 -6.434 -2.731) 7.908 5.527 ( 4.815 -1.217 0.156) 4.969 5.564 ( 9.021 1.756 0.291) 9.195 5.626 ( 8.849 1.114 0.584) 8.938 6.919 ( 8.056 1.578 1.159) 8.290 7.039 ( 7.935 -0.233 -1.150) 8.021 7.043 ( 8.021 0.794 -1.724) 8.243 7.196 ( 4.067 -1.703 1.108) 4.547 8.237 ( 2.161 -1.531 -1.067) 2.855 8.304 ( 2.362 -1.469 0.227) 2.791 8.336 ( -0.092 0.306 1.157) 1.200 8.379 ( 4.161 1.033 0.921) 4.385 8.681 ( 11.383 0.644 -1.360) 11.482 8.724 ( 9.624 0.206 1.815) 9.796 8.819 ( 13.270 3.340 2.227) 13.864 8.867 ( 12.455 1.588 -2.402) 12.784 10.802 ( -12.282 0.199 0.756) 12.307 10.865 ( -13.614 2.735 -0.301) 13.889 10.921 ( -11.084 -2.131 0.625) 11.304 11.018 ( -12.158 -1.188 -0.418) 12.223 11.298 ( -1.767 2.343 -1.698) 3.391 11.488 ( 3.051 -1.031 3.712) 4.914 11.543 ( 2.562 -2.360 -1.877) 3.957 11.600 ( 3.333 -0.771 1.129) 3.603 12.512 ( 1.447 1.640 0.617) 2.272 12.530 ( 1.728 2.623 -0.490) 3.179 12.687 ( 2.563 -1.290 0.902) 3.007 12.722 ( 2.359 -0.205 -0.005) 2.368 13.929 ( -3.363 2.101 -0.180) 3.969 14.016 ( -7.516 0.344 1.489) 7.670 14.125 ( 8.674 -1.096 0.094) 8.744 14.172 ( 6.801 -1.596 -0.839) 7.036 14.663 ( 10.261 2.088 -0.116) 10.472 14.737 ( 9.395 2.022 -0.321) 9.615 14.859 ( 6.697 -1.697 0.410) 6.921 15.367 ( -8.389 -16.331 -5.787) 19.250 16.332 ( 4.154 1.027 -1.880) 4.674 16.349 ( 0.871 -1.413 0.077) 1.662 16.393 ( 2.151 -0.351 -1.117) 2.449 16.434 ( 0.588 -7.000 1.790) 7.249 16.830 ( -19.525 1.954 -0.819) 19.640 16.883 ( -19.093 3.712 -0.311) 19.453 16.958 ( -21.701 -0.215 2.956) 21.902 17.098 ( -19.131 -3.151 -2.061) 19.498 20.183 ( 11.700 0.210 -0.945) 11.740 20.274 ( 13.874 -1.880 -0.753) 14.021 20.471 ( 14.238 -1.099 -0.027) 14.280 20.521 ( 14.838 -1.395 2.378) 15.092 22.642 ( -4.378 6.554 0.762) 7.919 22.709 ( -1.281 3.359 -0.660) 3.655 22.897 ( -2.521 -2.082 -0.554) 3.316 22.923 ( -4.409 -1.497 0.866) 4.736 25.961 ( 30.089 0.589 -0.140) 30.095 26.063 ( 33.920 2.279 2.508) 34.089 26.201 ( 34.192 4.675 -2.755) 34.620 27.700 ( 28.692 -51.887 -6.196) 59.614 29.502 ( -2.795 3.105 1.001) 4.296 29.577 ( -5.501 7.327 -1.791) 9.336 29.713 ( -2.700 -0.782 1.495) 3.183 29.882 ( 1.192 -5.101 -2.006) 5.609 31.121 ( 3.576 6.441 -1.967) 7.625 31.191 ( -6.039 24.886 -2.157) 25.699 31.326 ( 0.573 -2.310 -0.915) 2.550 31.891 ( -10.781 -2.577 1.468) 11.181 32.869 ( -6.829 1.527 2.564) 7.452 33.088 ( -7.753 -4.689 16.353) 18.695 33.329 ( -9.956 0.615 -2.361) 10.250 33.347 ( -9.528 -0.252 -0.968) 9.581 35.851 ( 0.660 0.390 0.759) 1.079 35.900 ( -0.036 -0.716 -0.235) 0.755 36.421 ( -0.547 1.314 -0.350) 1.466 36.596 ( -3.352 -3.856 -1.035) 5.213 37.219 ( -2.956 4.318 -0.671) 5.276 37.543 ( -7.375 1.356 2.267) 7.834 37.634 ( -11.235 16.124 -8.350) 21.353 38.490 ( -17.532 -7.831 2.107) 19.316 ======================= Grid point 14 (10/84) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 18.238 5.170 4.119) 19.399 1.616 ( 21.033 3.626 4.594) 21.833 1.873 ( 0.018 -6.527 -4.045) 7.679 2.027 ( -2.336 0.341 -0.998) 2.563 2.093 ( 6.313 2.830 2.935) 7.515 2.160 ( 7.114 3.348 -3.182) 8.482 2.476 ( 7.681 -1.574 -0.399) 7.851 2.588 ( 7.170 -1.926 -5.229) 9.081 2.723 ( 4.300 0.008 -0.117) 4.302 2.799 ( 8.021 0.595 -6.811) 10.539 2.852 ( 9.714 -0.503 4.162) 10.580 2.898 ( 11.230 -3.964 8.355) 14.548 3.111 ( 8.453 -7.373 -1.153) 11.276 3.209 ( -2.575 -6.187 1.617) 6.893 3.340 ( 9.586 3.542 4.633) 11.220 3.351 ( 0.300 3.597 3.725) 5.187 3.467 ( 2.728 1.557 1.279) 3.392 3.701 ( -5.315 4.900 0.472) 7.244 3.907 ( -0.708 -8.096 -9.670) 12.632 3.964 ( -0.127 -3.242 1.684) 3.655 4.115 ( -7.988 3.326 0.862) 8.696 4.267 ( -3.601 -7.111 0.538) 7.989 4.325 ( -6.890 -2.411 -1.360) 7.425 4.391 ( -1.196 0.588 -3.928) 4.148 4.648 ( -1.834 4.901 -0.828) 5.298 4.703 ( -0.905 6.999 0.975) 7.124 4.778 ( 1.346 2.452 2.432) 3.706 4.996 ( 4.733 -0.490 1.001) 4.862 5.030 ( 4.557 -3.545 -1.334) 5.925 5.069 ( 9.809 3.249 0.633) 10.352 5.187 ( 4.178 1.399 -1.563) 4.675 5.375 ( 5.120 -0.434 -0.184) 5.141 5.447 ( 4.740 -0.223 0.360) 4.759 5.643 ( 8.899 -0.878 -1.547) 9.075 5.753 ( 8.138 2.722 0.490) 8.595 5.894 ( 15.411 -1.418 0.863) 15.501 7.133 ( 13.400 1.608 2.552) 13.735 7.283 ( 15.251 0.868 -1.750) 15.376 7.299 ( 16.934 -0.566 -1.191) 16.986 7.391 ( 14.860 -3.349 -0.113) 15.233 8.250 ( 0.341 -0.425 -0.519) 0.752 8.298 ( -0.697 2.455 1.283) 2.857 8.387 ( 3.284 -4.423 -0.844) 5.573 8.460 ( 3.234 -0.740 0.560) 3.365 8.944 ( 14.871 1.719 -1.253) 15.023 8.985 ( 15.468 1.149 1.304) 15.566 9.120 ( 15.478 2.106 3.743) 16.063 9.175 ( 17.756 0.948 -3.760) 18.175 10.490 ( -16.857 0.823 -0.244) 16.879 10.559 ( -15.185 2.675 0.086) 15.419 10.633 ( -16.385 -1.989 1.527) 16.576 10.732 ( -14.858 -1.473 -1.329) 14.990 11.391 ( 10.461 3.439 -1.073) 11.064 11.641 ( 10.730 1.051 1.808) 10.932 11.664 ( 9.733 -3.870 -0.609) 10.491 11.733 ( 9.436 -0.633 1.486) 9.574 12.545 ( 0.965 0.679 0.783) 1.416 12.560 ( 1.329 1.408 -0.768) 2.083 12.710 ( -0.420 -1.872 1.135) 2.230 12.745 ( 0.711 -0.901 -0.571) 1.282 13.815 ( -7.313 5.411 0.409) 9.107 13.845 ( -8.662 5.093 -0.004) 10.048 14.232 ( -0.096 -5.136 2.015) 5.518 14.279 ( 1.427 -3.257 -1.699) 3.940 14.817 ( 3.500 1.266 -0.420) 3.746 14.863 ( 1.124 0.975 -0.265) 1.511 14.946 ( 2.545 -1.849 -0.258) 3.156 15.172 ( -8.819 -7.428 -2.392) 11.776 16.181 ( -17.595 0.375 0.983) 17.626 16.194 ( -19.955 0.821 -0.986) 19.996 16.238 ( -15.935 -0.203 -2.241) 16.093 16.266 ( -16.232 -1.508 1.440) 16.365 16.573 ( -4.817 0.764 -1.556) 5.119 16.611 ( -6.761 1.783 1.434) 7.138 16.641 ( -5.258 -0.758 1.025) 5.410 16.811 ( -9.084 -4.284 -0.166) 10.044 20.518 ( 20.704 1.039 -0.394) 20.733 20.631 ( 20.647 -1.657 -0.396) 20.717 20.809 ( 18.808 -0.378 -0.514) 18.819 20.861 ( 18.054 -1.343 0.476) 18.110 22.544 ( -5.653 4.416 1.145) 7.264 22.640 ( -5.508 2.637 -0.997) 6.187 22.799 ( -7.458 -2.460 0.474) 7.868 22.814 ( -6.418 -1.675 -0.208) 6.636 26.618 ( 33.662 1.208 -0.089) 33.684 26.762 ( 33.304 5.244 2.850) 33.835 26.895 ( 33.555 2.625 -2.997) 33.790 28.076 ( 11.445 -27.863 -4.025) 30.390 29.410 ( -6.373 4.003 -0.121) 7.527 29.469 ( -5.066 5.304 -0.666) 7.365 29.619 ( -6.859 -0.639 1.961) 7.163 29.868 ( -2.740 -5.620 -2.142) 6.609 31.166 ( 6.345 13.760 -0.948) 15.182 31.305 ( 10.413 2.092 -0.345) 10.627 31.385 ( 5.619 -0.968 -1.234) 5.834 31.723 ( -4.577 -3.189 0.587) 5.609 32.706 ( -9.402 2.033 3.310) 10.173 32.894 ( -11.928 -2.492 10.300) 15.956 33.088 ( -13.485 0.412 -3.541) 13.948 33.120 ( -12.684 -0.812 -0.362) 12.715 35.867 ( 0.819 0.334 0.788) 1.184 35.903 ( 0.294 -0.517 -0.339) 0.685 36.415 ( 0.004 0.729 -0.366) 0.816 36.517 ( -4.169 -2.235 -1.323) 4.912 37.168 ( -2.038 1.508 -0.779) 2.652 37.399 ( -6.764 -0.780 -0.101) 6.810 37.441 ( -7.709 11.966 -3.242) 14.599 38.132 ( -17.200 -6.577 2.203) 18.546 ======================= Grid point 15 (11/84) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 15.327 2.008 4.099) 15.992 1.864 ( -0.637 -1.083 -2.381) 2.692 1.983 ( 7.016 -1.142 -0.850) 7.159 2.032 ( 10.886 4.366 1.604) 11.838 2.234 ( 7.486 -1.212 1.184) 7.675 2.350 ( 9.751 9.626 0.032) 13.702 2.638 ( 7.740 -4.202 -5.703) 10.492 2.650 ( 0.714 -5.393 2.366) 5.932 2.779 ( 2.269 -0.506 -0.396) 2.358 2.893 ( 2.007 -1.180 -3.859) 4.507 2.953 ( -1.353 -0.442 4.851) 5.055 3.040 ( 4.105 -6.018 1.756) 7.493 3.143 ( -1.500 -3.994 -3.306) 5.398 3.242 ( 1.923 -3.751 3.536) 5.502 3.338 ( 0.710 1.999 0.210) 2.132 3.476 ( 0.431 4.901 2.044) 5.328 3.560 ( 3.821 0.403 1.833) 4.257 3.612 ( 0.998 5.933 1.437) 6.186 3.824 ( -5.579 -8.209 -4.991) 11.110 3.933 ( -7.286 -1.840 3.205) 8.170 3.990 ( 0.191 -0.272 0.015) 0.333 4.157 ( -8.679 -1.837 -2.913) 9.337 4.215 ( -2.206 -4.775 0.958) 5.347 4.317 ( -4.091 -0.217 -3.851) 5.622 4.631 ( -0.103 5.954 -1.550) 6.153 4.738 ( 2.241 4.746 3.351) 6.227 4.787 ( 1.095 4.771 1.544) 5.133 5.000 ( -1.202 -0.862 -0.202) 1.493 5.065 ( -1.222 -1.304 -1.468) 2.312 5.159 ( 1.840 3.009 3.099) 4.696 5.350 ( 7.206 -2.984 -5.296) 9.427 5.454 ( 1.834 -3.105 -0.784) 3.690 5.517 ( 3.129 5.482 2.281) 6.712 5.830 ( 7.052 -1.270 -1.595) 7.340 5.874 ( 4.234 3.501 0.572) 5.524 6.155 ( 9.524 -3.389 1.412) 10.207 7.456 ( 17.215 1.386 1.972) 17.382 7.593 ( 13.376 1.622 -0.575) 13.486 7.631 ( 13.359 -2.125 0.418) 13.533 7.706 ( 13.412 -0.757 -1.942) 13.573 8.281 ( 3.602 0.532 -1.848) 4.083 8.344 ( 5.392 2.079 2.372) 6.247 8.431 ( 0.513 -3.504 -1.205) 3.741 8.496 ( 0.409 -0.628 0.437) 0.867 9.260 ( 15.592 1.210 -0.127) 15.639 9.318 ( 16.723 2.751 -0.108) 16.949 9.421 ( 13.318 0.240 3.633) 13.807 9.550 ( 18.011 -1.366 -4.448) 18.602 10.184 ( -12.330 1.108 0.676) 12.399 10.279 ( -13.262 -0.479 0.847) 13.298 10.308 ( -13.663 0.947 1.077) 13.738 10.450 ( -12.343 -1.784 -1.921) 12.618 11.708 ( 20.620 2.122 -0.504) 20.735 11.887 ( 14.309 -2.108 -2.052) 14.609 11.955 ( 17.959 -0.234 2.609) 18.149 11.981 ( 15.068 -0.038 1.253) 15.120 12.525 ( -2.481 0.967 0.499) 2.709 12.571 ( -1.382 1.367 -0.766) 2.089 12.686 ( -1.436 -1.572 1.731) 2.744 12.758 ( -0.246 -1.435 -1.246) 1.916 13.659 ( -7.664 5.915 0.924) 9.725 13.682 ( -7.289 6.628 -0.771) 9.882 14.110 ( -11.049 -5.274 1.988) 12.403 14.188 ( -9.609 -5.349 -1.681) 11.125 14.684 ( -19.099 1.606 -0.194) 19.168 14.708 ( -15.668 3.275 -0.375) 16.011 14.905 ( -7.833 -2.981 -0.056) 8.381 15.015 ( -7.767 -4.686 -1.000) 9.126 15.890 ( -5.286 0.205 -1.282) 5.443 15.916 ( -5.183 0.887 0.674) 5.301 15.948 ( -8.170 -0.801 -0.630) 8.233 15.967 ( -8.547 -0.246 0.745) 8.583 16.478 ( -5.120 0.634 -0.217) 5.164 16.526 ( -3.955 1.199 -0.164) 4.136 16.562 ( -4.864 -1.017 0.760) 5.027 16.650 ( -8.003 -2.753 0.161) 8.465 20.965 ( 22.074 1.118 -0.269) 22.103 21.057 ( 19.968 -1.134 1.514) 20.058 21.194 ( 18.073 -0.119 -0.289) 18.076 21.232 ( 18.316 -0.921 -1.865) 18.434 22.414 ( -6.936 2.774 1.360) 7.593 22.495 ( -8.259 2.170 -1.074) 8.607 22.610 ( -11.014 -2.165 0.529) 11.237 22.649 ( -9.764 -1.666 -0.330) 9.911 27.264 ( 28.609 1.234 0.229) 28.636 27.364 ( 25.936 5.158 1.462) 26.484 27.507 ( 26.054 0.898 -1.974) 26.145 28.210 ( 2.349 -13.326 -1.808) 13.651 29.267 ( -7.108 2.486 -1.028) 7.600 29.353 ( -6.808 1.700 -0.059) 7.018 29.449 ( -9.154 1.561 2.041) 9.508 29.776 ( -5.520 -5.606 -1.550) 8.019 31.371 ( 12.800 6.242 -0.052) 14.241 31.547 ( 10.253 -0.266 -1.476) 10.362 31.556 ( 13.520 0.667 -0.141) 13.537 31.732 ( 5.198 -2.697 -0.020) 5.856 32.498 ( -11.161 2.128 3.639) 11.931 32.628 ( -14.583 -1.029 5.112) 15.487 32.794 ( -14.786 0.487 -3.998) 15.324 32.850 ( -13.505 -1.062 1.004) 13.584 35.883 ( 0.683 0.319 0.483) 0.895 35.910 ( 0.414 -0.362 -0.158) 0.572 36.412 ( -1.335 0.177 0.366) 1.395 36.445 ( -1.607 -0.675 -1.817) 2.518 37.135 ( -1.184 -0.010 -0.621) 1.337 37.275 ( -5.131 -1.995 -1.916) 5.829 37.322 ( -4.064 9.401 0.393) 10.250 37.827 ( -12.490 -5.015 1.683) 13.564 ======================= Grid point 16 (12/84) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -0.925 1.713 -0.912) 2.150 2.000 ( 5.910 2.982 -5.399) 8.542 2.033 ( 1.998 4.528 7.558) 9.035 2.306 ( 10.836 1.121 1.476) 10.994 2.373 ( 4.740 -2.019 -2.222) 5.611 2.460 ( -0.267 5.022 -0.134) 5.031 2.668 ( 2.631 -3.370 5.630) 7.069 2.739 ( 0.074 -5.549 -4.718) 7.284 2.792 ( -1.479 1.211 1.744) 2.587 2.871 ( -2.304 2.530 -1.150) 3.610 2.919 ( 1.002 -6.736 -2.556) 7.274 3.098 ( 0.894 3.637 1.656) 4.095 3.145 ( 0.488 -5.527 -3.258) 6.434 3.257 ( 2.607 -6.664 3.521) 7.976 3.392 ( 2.151 4.774 -0.546) 5.265 3.429 ( -2.817 8.566 2.053) 9.248 3.534 ( -0.833 -0.600 -0.780) 1.289 3.689 ( -5.082 -10.917 -1.592) 12.147 3.734 ( 2.674 1.996 0.678) 3.405 3.850 ( -0.425 -4.400 2.860) 5.265 3.939 ( -5.982 -6.170 -2.261) 8.887 4.035 ( -0.892 2.332 -0.497) 2.546 4.189 ( -0.577 -1.963 0.314) 2.070 4.266 ( -1.025 -1.285 -1.284) 2.086 4.623 ( -0.399 4.064 -0.081) 4.085 4.774 ( 1.114 5.620 1.186) 5.851 4.819 ( 1.057 6.407 0.610) 6.522 4.977 ( -0.706 -0.445 -0.286) 0.882 5.035 ( -0.960 0.515 -0.917) 1.424 5.180 ( 0.313 1.966 1.453) 2.464 5.443 ( 2.502 -5.907 -3.234) 7.184 5.467 ( 0.058 -3.553 0.475) 3.585 5.563 ( 1.055 6.407 0.847) 6.548 5.875 ( -0.099 2.248 1.360) 2.629 5.962 ( 2.732 -0.036 -1.549) 3.141 6.280 ( 3.014 -4.210 0.770) 5.234 7.726 ( 3.918 -0.242 -0.241) 3.933 7.769 ( 8.280 0.114 0.145) 8.282 7.814 ( 3.959 0.756 2.001) 4.500 7.893 ( 5.474 0.184 -1.592) 5.703 8.374 ( 2.448 0.025 -2.099) 3.225 8.399 ( -0.665 0.115 0.794) 1.042 8.432 ( 0.274 2.549 0.865) 2.706 8.519 ( 2.502 0.669 -0.080) 2.591 9.523 ( 8.350 -0.094 1.191) 8.435 9.623 ( 11.910 2.773 -3.475) 12.712 9.630 ( 7.450 -1.729 2.280) 7.980 9.780 ( 2.777 -1.630 -2.193) 3.896 9.954 ( -11.614 1.310 2.874) 12.036 10.110 ( -0.278 -2.288 1.440) 2.718 10.128 ( -5.132 0.995 -1.130) 5.348 10.262 ( -5.256 -2.214 -1.214) 5.831 12.155 ( 20.034 0.448 -0.756) 20.054 12.196 ( 14.162 -0.375 0.064) 14.167 12.309 ( 14.019 0.905 0.740) 14.068 12.337 ( 16.808 -0.093 0.531) 16.816 12.459 ( -3.033 0.748 1.242) 3.362 12.492 ( -5.786 0.702 -1.824) 6.107 12.627 ( -5.811 -0.795 2.262) 6.286 12.680 ( -8.433 -1.183 -1.740) 8.692 13.510 ( -6.072 4.699 0.315) 7.684 13.572 ( -3.177 5.033 -0.211) 5.955 13.873 ( -8.990 -4.318 0.880) 10.012 13.979 ( -7.828 -4.862 -0.752) 9.246 14.265 ( -15.305 4.400 -0.192) 15.926 14.355 ( -12.708 7.313 -0.049) 14.662 14.722 ( -6.409 -6.701 0.125) 9.273 14.865 ( -5.101 -5.352 -0.328) 7.401 15.891 ( 1.258 -0.427 0.456) 1.405 15.904 ( 2.701 -0.813 -0.255) 2.833 15.933 ( 2.444 0.599 -0.373) 2.544 15.940 ( 1.944 0.349 -0.479) 2.033 16.396 ( -1.766 -0.200 0.843) 1.967 16.446 ( -2.971 0.889 -0.668) 3.172 16.456 ( -4.073 -1.054 1.328) 4.412 16.492 ( -6.515 -0.644 -0.926) 6.612 21.346 ( 13.599 0.686 -0.366) 13.621 21.369 ( 9.344 0.161 1.287) 9.434 21.459 ( 5.626 0.743 0.244) 5.680 21.556 ( 11.370 -1.521 -1.744) 11.603 22.307 ( -2.227 0.763 0.944) 2.536 22.347 ( -4.610 1.092 -0.413) 4.756 22.390 ( -8.806 -0.901 0.332) 8.859 22.448 ( -8.415 -1.074 -0.428) 8.494 27.672 ( 10.358 2.355 0.733) 10.647 27.822 ( 16.738 -1.687 -0.644) 16.835 27.909 ( 14.245 2.714 -0.501) 14.510 28.159 ( -7.888 -3.829 -0.125) 8.769 29.156 ( -2.626 -0.630 -1.297) 2.995 29.202 ( -6.585 -1.362 0.789) 6.770 29.306 ( -4.090 5.179 0.781) 6.645 29.685 ( -2.570 -5.305 -0.530) 5.919 31.627 ( 10.430 1.929 0.253) 10.610 31.721 ( 4.744 -0.711 -1.070) 4.915 31.826 ( 10.819 0.464 -0.792) 10.858 31.891 ( 8.361 -1.179 0.429) 8.455 32.288 ( -8.055 0.963 2.470) 8.480 32.342 ( -12.022 -0.523 1.172) 12.090 32.532 ( -8.888 1.545 -2.440) 9.346 32.616 ( -7.952 -0.513 1.212) 8.060 35.893 ( 0.265 0.297 0.137) 0.421 35.917 ( 0.195 -0.300 -0.016) 0.358 36.370 ( -1.406 0.943 -0.077) 1.695 36.446 ( 0.440 -0.942 -0.511) 1.159 37.120 ( -0.315 -0.732 -0.262) 0.839 37.202 ( -1.913 -1.431 -0.696) 2.488 37.270 ( -1.238 6.994 0.303) 7.109 37.650 ( -4.684 -3.853 0.645) 6.099 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( 0.000 20.860 0.000) 20.860 1.123 ( 0.000 27.780 0.000) 27.780 1.204 ( 0.000 -12.343 0.000) 12.343 1.484 ( 0.000 8.351 0.000) 8.351 1.724 ( 0.000 0.212 0.000) 0.212 2.015 ( 0.000 -1.602 0.000) 1.602 2.026 ( 0.000 0.446 0.000) 0.446 2.225 ( 0.000 -6.987 0.000) 6.987 2.241 ( 0.000 1.722 0.000) 1.722 2.250 ( 0.000 -2.074 0.000) 2.074 2.453 ( 0.000 2.250 0.000) 2.250 2.470 ( 0.000 1.473 0.000) 1.473 2.652 ( 0.000 0.563 0.000) 0.563 2.680 ( 0.000 -2.177 0.000) 2.177 2.908 ( 0.000 8.758 0.000) 8.758 3.016 ( 0.000 -0.127 0.000) 0.127 3.145 ( 0.000 -2.004 0.000) 2.004 3.276 ( 0.000 -17.230 0.000) 17.230 3.679 ( 0.000 2.782 0.000) 2.782 3.756 ( 0.000 -3.539 0.000) 3.539 4.193 ( 0.000 -2.255 0.000) 2.255 4.218 ( 0.000 -4.653 0.000) 4.653 4.379 ( 0.000 10.375 0.000) 10.375 4.514 ( 0.000 -4.066 0.000) 4.066 4.710 ( 0.000 4.175 0.000) 4.175 4.735 ( 0.000 2.938 0.000) 2.938 4.824 ( 0.000 1.576 0.000) 1.576 4.938 ( 0.000 -8.805 0.000) 8.805 4.984 ( 0.000 5.619 0.000) 5.619 5.096 ( 0.000 -6.189 0.000) 6.189 5.152 ( 0.000 1.626 0.000) 1.626 5.224 ( 0.000 -6.742 0.000) 6.742 5.282 ( 0.000 2.642 0.000) 2.642 5.347 ( 0.000 -3.841 0.000) 3.841 5.474 ( 0.000 9.805 0.000) 9.805 5.606 ( 0.000 -4.293 0.000) 4.293 6.791 ( 0.000 1.810 0.000) 1.810 6.833 ( 0.000 -3.151 0.000) 3.151 7.283 ( 0.000 2.309 0.000) 2.309 7.283 ( 0.000 1.897 0.000) 1.897 8.116 ( 0.000 2.397 0.000) 2.397 8.129 ( 0.000 3.822 0.000) 3.822 8.209 ( 0.000 -7.250 0.000) 7.250 8.231 ( 0.000 -6.994 0.000) 6.994 8.498 ( 0.000 4.843 0.000) 4.843 8.541 ( 0.000 5.505 0.000) 5.505 8.566 ( 0.000 -2.296 0.000) 2.296 8.614 ( 0.000 -2.249 0.000) 2.249 10.929 ( 0.000 1.855 0.000) 1.855 10.977 ( 0.000 -3.361 0.000) 3.361 11.130 ( 0.000 2.846 0.000) 2.846 11.182 ( 0.000 -2.559 0.000) 2.559 11.562 ( 0.000 1.721 0.000) 1.721 11.596 ( 0.000 -1.773 0.000) 1.773 11.661 ( 0.000 1.788 0.000) 1.788 11.688 ( 0.000 -1.103 0.000) 1.103 12.469 ( 0.000 0.160 0.000) 0.160 12.476 ( 0.000 -0.533 0.000) 0.533 12.579 ( 0.000 0.916 0.000) 0.916 12.584 ( 0.000 0.436 0.000) 0.436 13.977 ( 0.000 5.620 0.000) 5.620 14.055 ( 0.000 -2.657 0.000) 2.657 14.224 ( 0.000 0.112 0.000) 0.112 14.228 ( 0.000 -0.016 0.000) 0.016 14.328 ( 0.000 -0.104 0.000) 0.104 14.341 ( 0.000 -1.203 0.000) 1.203 14.424 ( 0.000 1.239 0.000) 1.239 14.446 ( 0.000 -1.103 0.000) 1.103 16.167 ( 0.000 1.652 0.000) 1.652 16.201 ( 0.000 -2.047 0.000) 2.047 16.235 ( 0.000 2.701 0.000) 2.701 16.291 ( 0.000 -3.181 0.000) 3.181 17.347 ( 0.000 4.443 0.000) 4.443 17.422 ( 0.000 -3.535 0.000) 3.535 17.557 ( 0.000 0.617 0.000) 0.617 17.567 ( 0.000 -0.437 0.000) 0.437 19.968 ( 0.000 0.587 0.000) 0.587 19.994 ( 0.000 -2.201 0.000) 2.201 20.169 ( 0.000 1.549 0.000) 1.549 20.198 ( 0.000 -1.490 0.000) 1.490 22.765 ( 0.000 5.210 0.000) 5.210 22.855 ( 0.000 -4.376 0.000) 4.376 23.009 ( 0.000 0.307 0.000) 0.307 23.013 ( 0.000 -0.155 0.000) 0.155 25.286 ( 0.000 0.005 0.000) 0.005 25.286 ( 0.000 0.006 0.000) 0.006 25.293 ( 0.000 0.035 0.000) 0.035 25.294 ( 0.000 -0.110 0.000) 0.110 29.629 ( 0.000 4.680 0.000) 4.680 29.700 ( 0.000 -2.871 0.000) 2.871 29.751 ( 0.000 0.767 0.000) 0.767 29.772 ( 0.000 -1.414 0.000) 1.414 31.128 ( 0.000 6.525 0.000) 6.525 31.252 ( 0.000 -6.550 0.000) 6.550 32.197 ( 0.000 1.396 0.000) 1.396 32.223 ( 0.000 -1.337 0.000) 1.337 33.026 ( 0.000 0.561 0.000) 0.561 33.043 ( 0.000 -1.159 0.000) 1.159 33.552 ( 0.000 0.665 0.000) 0.665 33.558 ( 0.000 0.069 0.000) 0.069 35.859 ( 0.000 1.278 0.000) 1.278 35.884 ( 0.000 -1.356 0.000) 1.356 36.487 ( 0.000 3.469 0.000) 3.469 36.567 ( 0.000 -5.184 0.000) 5.184 37.526 ( 0.000 9.490 0.000) 9.490 37.667 ( 0.000 -5.668 0.000) 5.668 38.531 ( 0.000 8.736 0.000) 8.736 38.725 ( 0.000 -11.548 0.000) 11.548 ======================= Grid point 23 (14/84) ======================= q-point: ( 0.09 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 12.315 21.398 -1.010) 24.709 1.218 ( 11.801 18.346 -6.366) 22.724 1.524 ( 23.630 -8.443 -3.304) 25.310 1.595 ( 18.282 8.828 2.591) 20.467 1.720 ( 1.488 -5.142 2.407) 5.869 1.969 ( -0.993 -12.021 1.133) 12.115 2.189 ( 3.507 1.483 1.561) 4.115 2.204 ( -1.845 0.077 2.501) 3.109 2.330 ( 12.185 4.303 6.795) 14.600 2.401 ( 8.362 -2.303 7.063) 11.185 2.565 ( 12.720 4.356 -1.909) 13.580 2.612 ( 4.810 -1.748 -2.756) 5.812 2.712 ( 9.106 2.218 -2.157) 9.618 2.769 ( 17.728 -3.380 1.208) 18.087 2.932 ( 0.212 11.820 0.110) 11.822 3.221 ( 14.528 1.261 -3.170) 14.923 3.281 ( 1.923 -16.182 -0.989) 16.326 3.373 ( 16.430 -10.603 -3.828) 19.926 3.656 ( -0.068 3.865 2.871) 4.815 3.765 ( 2.852 -5.577 -0.644) 6.297 4.167 ( -1.486 0.016 -1.920) 2.428 4.225 ( 1.014 -5.497 3.185) 6.433 4.348 ( -2.247 9.963 -2.727) 10.571 4.492 ( -2.245 -5.143 0.812) 5.670 4.724 ( 0.741 7.289 -5.241) 9.009 4.755 ( 1.087 5.189 3.953) 6.613 4.819 ( 0.248 -2.011 -1.052) 2.283 4.899 ( -4.424 -5.907 0.116) 7.380 5.003 ( 0.996 4.570 0.555) 4.710 5.079 ( -0.135 -2.439 2.497) 3.494 5.116 ( -5.676 -0.556 -0.776) 5.755 5.173 ( -0.990 -5.968 0.033) 6.050 5.309 ( 1.473 3.741 -0.227) 4.027 5.388 ( 3.888 -3.212 1.209) 5.186 5.472 ( 2.014 5.728 -1.824) 6.340 5.561 ( -1.235 -2.398 -0.426) 2.731 6.832 ( 4.146 1.836 -0.315) 4.545 6.873 ( 3.970 -2.942 -0.240) 4.947 7.123 ( -7.268 6.155 -0.134) 9.525 7.204 ( -6.432 -2.405 1.455) 7.020 8.159 ( 3.795 2.312 -1.441) 4.672 8.216 ( 4.084 -1.403 0.614) 4.362 8.283 ( 6.459 -0.637 0.618) 6.520 8.323 ( 3.890 -2.603 1.948) 5.069 8.543 ( 3.874 3.746 0.146) 5.390 8.581 ( 5.417 -0.309 1.399) 5.604 8.654 ( 7.117 0.162 -0.502) 7.136 8.663 ( 7.428 -1.162 -1.079) 7.595 10.943 ( -0.763 0.967 0.752) 1.443 10.978 ( -0.712 -2.624 0.337) 2.740 11.098 ( -3.849 2.778 0.496) 4.772 11.148 ( -4.007 -2.392 0.603) 4.705 11.461 ( -8.681 1.932 -0.400) 8.902 11.503 ( -7.725 -2.620 0.269) 8.162 11.576 ( -5.709 1.111 0.147) 5.818 11.594 ( -4.389 -0.734 -0.883) 4.536 12.510 ( 2.414 0.843 0.892) 2.708 12.520 ( 3.404 -0.019 0.059) 3.404 12.635 ( 3.242 1.461 -0.319) 3.570 12.651 ( 4.259 -0.115 -0.422) 4.282 13.959 ( -0.273 3.386 -0.126) 3.399 14.000 ( 2.013 1.112 0.859) 2.455 14.065 ( -4.281 -0.920 -0.539) 4.412 14.118 ( -3.384 -4.255 -1.333) 5.598 14.494 ( 12.407 3.310 -0.340) 12.846 14.534 ( 11.691 -0.964 -0.502) 11.741 14.687 ( 14.082 4.216 -0.299) 14.703 14.846 ( 20.949 -15.076 -3.566) 26.055 16.223 ( 5.476 0.714 0.138) 5.524 16.242 ( 4.298 -1.302 -0.602) 4.531 16.276 ( 3.969 1.004 0.051) 4.094 16.309 ( 2.190 -2.010 -0.297) 2.988 17.222 ( -12.213 3.764 0.113) 12.781 17.281 ( -13.721 -2.230 -0.478) 13.909 17.369 ( -16.039 2.626 0.828) 16.273 17.415 ( -14.848 -2.498 -0.535) 15.066 20.024 ( 4.953 -0.224 0.064) 4.959 20.037 ( 5.403 -1.617 0.184) 5.643 20.241 ( 7.484 1.376 0.360) 7.618 20.271 ( 7.222 -1.622 0.419) 7.413 22.776 ( 0.642 4.900 -0.536) 4.971 22.860 ( 0.019 -3.736 -0.454) 3.764 22.911 ( -6.697 4.636 0.747) 8.179 22.970 ( -3.851 -1.950 0.639) 4.364 25.463 ( 19.288 0.563 0.076) 19.296 25.477 ( 20.800 -0.785 0.404) 20.819 25.680 ( 31.801 8.356 -1.006) 32.896 25.941 ( 49.218 -22.826 -1.734) 54.282 29.615 ( -1.406 4.386 0.681) 4.656 29.680 ( -1.855 -2.347 0.486) 3.031 29.750 ( -0.179 1.564 -0.569) 1.674 29.787 ( 1.117 -2.419 -0.944) 2.827 31.139 ( 1.310 5.818 -0.443) 5.980 31.250 ( -0.010 -5.795 -0.600) 5.826 31.972 ( -19.388 9.619 -6.508) 22.601 32.072 ( -11.754 -2.712 0.024) 12.063 33.000 ( -2.715 2.065 4.087) 5.323 33.056 ( -0.808 -4.315 10.146) 11.055 33.498 ( -5.330 0.582 -0.896) 5.436 33.502 ( -5.385 0.071 -0.771) 5.441 35.859 ( 0.026 1.217 0.341) 1.264 35.883 ( -0.106 -1.304 0.331) 1.349 36.478 ( -0.786 3.293 -0.196) 3.391 36.554 ( -1.209 -4.895 -0.353) 5.054 37.463 ( -5.436 9.359 -0.834) 10.855 37.607 ( -5.383 -6.051 -1.885) 8.316 38.326 ( -16.421 16.087 -0.996) 23.010 38.592 ( -12.183 -13.128 0.708) 17.924 ======================= Grid point 24 (15/84) ======================= q-point: ( 0.18 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 6.518 17.481 -4.730) 19.247 1.470 ( 13.869 13.225 4.858) 19.770 1.713 ( -0.793 -9.685 -3.625) 10.372 1.845 ( 8.601 -13.478 1.128) 16.028 2.012 ( 7.576 3.459 -0.348) 8.335 2.079 ( 7.374 -3.504 3.051) 8.716 2.236 ( 12.203 7.577 4.494) 15.051 2.405 ( 15.074 -6.351 -0.206) 16.359 2.539 ( 9.974 0.572 1.560) 10.112 2.577 ( 8.424 -2.526 -0.760) 8.827 2.681 ( 6.592 1.800 3.082) 7.496 2.724 ( 9.100 0.627 -2.309) 9.409 2.912 ( -0.669 4.889 2.766) 5.656 3.051 ( 3.155 -8.121 4.672) 9.887 3.161 ( 22.610 14.036 1.983) 26.686 3.406 ( 4.710 1.550 1.073) 5.074 3.475 ( 5.155 0.245 -7.184) 8.845 3.513 ( 12.206 -15.258 -5.046) 20.180 3.758 ( 4.423 0.727 0.306) 4.493 3.871 ( 2.670 -9.490 -2.992) 10.303 4.179 ( 0.655 2.602 1.167) 2.925 4.259 ( -0.030 -4.634 2.665) 5.345 4.341 ( 3.404 6.588 -1.554) 7.576 4.451 ( -1.544 -4.533 -2.681) 5.488 4.692 ( 0.079 5.407 1.079) 5.514 4.752 ( -5.248 -0.442 0.851) 5.335 4.842 ( 6.589 2.938 1.748) 7.423 4.892 ( 4.202 -3.169 0.572) 5.294 4.975 ( -3.403 6.038 -0.047) 6.931 5.003 ( -0.902 2.288 -0.901) 2.619 5.143 ( 3.685 -1.906 -1.134) 4.301 5.203 ( 4.268 -7.180 -4.704) 9.587 5.359 ( 4.763 7.094 2.410) 8.878 5.477 ( 4.203 -4.820 2.072) 6.723 5.597 ( 9.687 2.117 -0.413) 9.924 5.630 ( 8.204 -0.947 -0.007) 8.259 6.966 ( 9.195 2.945 0.338) 9.661 7.009 ( 10.254 -1.851 -0.711) 10.444 7.084 ( 3.904 2.701 -1.047) 4.861 7.145 ( 1.681 -3.569 1.282) 4.148 8.231 ( 2.257 0.774 -1.363) 2.748 8.261 ( 1.650 -2.335 -0.689) 2.941 8.357 ( 0.542 1.637 1.447) 2.251 8.383 ( 2.739 -0.795 1.308) 3.137 8.699 ( 11.461 1.242 0.210) 11.530 8.720 ( 9.676 -0.763 1.565) 9.831 8.873 ( 13.837 2.192 -0.139) 14.010 8.891 ( 13.282 0.375 -0.990) 13.324 10.821 ( -11.753 1.921 0.620) 11.925 10.867 ( -11.309 -2.721 0.502) 11.642 10.929 ( -12.985 3.168 -0.104) 13.366 10.984 ( -12.525 -2.540 -0.358) 12.785 11.356 ( 0.719 3.775 -1.168) 4.017 11.431 ( 3.088 -4.204 0.161) 5.219 11.540 ( 2.173 1.360 0.770) 2.677 11.573 ( 2.978 -1.918 1.436) 3.823 12.548 ( 1.221 1.962 0.602) 2.388 12.567 ( 1.163 0.504 -0.414) 1.333 12.677 ( 1.184 0.746 0.628) 1.534 12.705 ( 1.203 -1.605 -0.342) 2.034 13.983 ( 0.580 3.369 0.595) 3.470 14.021 ( -0.789 -0.300 2.442) 2.583 14.104 ( 3.700 -0.575 -0.409) 3.767 14.127 ( 4.486 -2.790 -3.004) 6.077 14.715 ( 8.872 3.274 -0.994) 9.509 14.765 ( 10.045 -1.012 -0.577) 10.112 14.862 ( 4.092 4.958 -0.152) 6.431 15.053 ( 1.619 -15.096 -2.510) 15.389 16.327 ( 1.815 -0.560 0.451) 1.953 16.339 ( 2.553 -1.766 1.092) 3.291 16.361 ( 3.322 0.599 -1.419) 3.662 16.381 ( 2.851 -1.039 -1.627) 3.443 16.873 ( -20.681 2.453 -0.415) 20.830 16.909 ( -20.944 -1.050 -0.501) 20.976 16.981 ( -20.733 2.841 1.619) 20.989 17.038 ( -20.157 -3.233 -0.080) 20.415 20.196 ( 13.041 1.358 -0.698) 13.130 20.232 ( 13.904 -2.405 -0.439) 14.118 20.467 ( 14.490 0.715 0.135) 14.508 20.491 ( 14.427 -1.671 0.849) 14.548 22.757 ( -3.765 5.333 -0.271) 6.534 22.792 ( -4.060 5.231 0.605) 6.649 22.842 ( -2.709 -3.792 -0.622) 4.701 22.878 ( -5.054 -3.578 0.745) 6.237 25.992 ( 31.495 2.658 -0.037) 31.607 26.047 ( 33.458 -2.795 0.645) 33.581 26.414 ( 37.567 18.321 -1.445) 41.821 26.889 ( 40.605 -34.520 -2.339) 53.346 29.569 ( -3.400 3.840 1.053) 5.236 29.626 ( -3.769 -1.594 0.345) 4.107 29.730 ( -2.187 3.121 -0.599) 3.857 29.799 ( -0.299 -4.108 -1.459) 4.369 31.192 ( 4.316 4.060 -0.912) 5.996 31.267 ( 2.331 -3.869 -1.094) 4.648 31.602 ( -14.207 16.172 -3.012) 21.736 31.806 ( -12.577 -7.134 -0.708) 14.477 32.913 ( -6.183 3.390 5.491) 8.937 32.992 ( -6.070 -5.108 10.374) 13.060 33.339 ( -10.098 0.479 -1.959) 10.297 33.345 ( -9.986 -0.124 -1.607) 10.115 35.864 ( 0.450 0.950 0.521) 1.173 35.883 ( 0.173 -1.082 0.286) 1.132 36.458 ( -1.140 2.690 -0.432) 2.954 36.519 ( -2.103 -3.976 -0.678) 4.549 37.342 ( -5.874 7.773 -1.506) 9.858 37.473 ( -7.189 -6.023 -2.595) 9.731 37.990 ( -15.635 18.493 -0.171) 24.218 38.288 ( -16.655 -13.852 1.346) 21.704 ======================= Grid point 25 (16/84) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 11.837 7.636 -1.367) 14.153 1.696 ( 5.014 -11.122 -3.953) 12.824 1.795 ( 12.868 12.232 3.991) 18.197 1.988 ( 5.339 -6.603 3.490) 9.181 2.146 ( 4.007 3.150 5.098) 7.209 2.186 ( 11.385 -1.076 0.310) 11.439 2.447 ( 6.382 3.435 -0.974) 7.313 2.572 ( 3.932 -4.994 -4.930) 8.044 2.702 ( 5.450 -1.523 -1.971) 5.992 2.730 ( 5.549 -3.902 -4.740) 8.276 2.880 ( 6.280 3.408 5.770) 9.184 2.915 ( 5.008 5.635 2.806) 8.044 2.993 ( 10.145 -5.966 4.661) 12.659 3.062 ( 1.527 -8.182 2.469) 8.681 3.449 ( 4.849 5.981 4.127) 8.736 3.478 ( 4.810 7.780 -2.609) 9.511 3.504 ( 2.619 4.032 -2.613) 5.472 3.711 ( 0.425 -12.226 -9.034) 15.208 3.759 ( -2.420 3.502 1.007) 4.374 3.888 ( 2.343 -7.680 2.114) 8.303 4.136 ( -3.452 -0.537 -0.134) 3.496 4.160 ( -7.772 -1.558 3.346) 8.604 4.330 ( -7.823 2.316 -2.725) 8.602 4.380 ( -4.307 -2.110 -3.698) 6.056 4.712 ( 1.791 2.960 1.832) 3.915 4.752 ( 2.696 -0.877 0.796) 2.945 4.925 ( -0.659 8.751 -0.616) 8.797 4.975 ( 2.562 -1.183 1.602) 3.245 4.995 ( 4.898 1.343 3.495) 6.165 5.111 ( 8.133 -4.489 -0.506) 9.304 5.198 ( 3.341 4.998 -2.900) 6.675 5.313 ( 4.849 -5.670 -3.518) 8.249 5.507 ( 8.449 5.368 1.358) 10.101 5.600 ( 8.906 -4.036 0.133) 9.779 5.809 ( 9.973 3.038 0.487) 10.437 5.859 ( 12.622 -2.355 0.878) 12.870 7.191 ( 13.381 4.517 1.452) 14.197 7.273 ( 13.398 -3.071 0.161) 13.746 7.297 ( 16.767 0.663 -1.325) 16.832 7.322 ( 16.945 -2.873 -1.358) 17.241 8.256 ( 1.277 1.277 -0.661) 1.923 8.301 ( 2.306 -3.537 -0.461) 4.247 8.362 ( 0.508 3.501 0.701) 3.606 8.426 ( 1.710 -2.936 0.960) 3.531 8.977 ( 15.600 1.553 0.843) 15.700 8.994 ( 16.451 -0.228 1.100) 16.489 9.164 ( 14.613 2.155 0.225) 14.773 9.186 ( 15.867 -0.115 -2.371) 16.044 10.520 ( -16.406 2.417 0.432) 16.588 10.570 ( -16.440 -2.555 0.693) 16.651 10.633 ( -15.126 3.073 -0.208) 15.437 10.692 ( -15.094 -2.889 -1.041) 15.403 11.474 ( 10.263 5.393 -1.019) 11.638 11.577 ( 10.039 -5.423 -0.989) 11.453 11.669 ( 10.574 1.978 2.135) 10.968 11.708 ( 9.990 -1.952 1.959) 10.366 12.564 ( 0.242 1.247 0.730) 1.465 12.579 ( 0.413 0.066 -0.430) 0.600 12.690 ( 0.008 0.284 0.541) 0.611 12.716 ( 0.386 -1.976 -0.560) 2.089 13.938 ( -5.353 7.296 2.735) 9.453 13.973 ( -4.116 7.274 -0.830) 8.398 14.118 ( -3.379 -5.902 1.319) 6.928 14.174 ( -1.731 -7.722 -3.031) 8.474 14.851 ( 3.647 2.294 -1.050) 4.434 14.895 ( 1.369 -0.970 -0.401) 1.725 14.914 ( 1.582 2.397 -0.480) 2.912 15.022 ( -3.280 -7.795 -0.972) 8.513 16.194 ( -15.625 1.029 1.306) 15.713 16.206 ( -18.043 0.248 -0.566) 18.053 16.231 ( -16.921 -0.415 -1.310) 16.976 16.237 ( -16.341 -1.228 -0.051) 16.387 16.593 ( -4.854 1.368 -0.740) 5.097 16.619 ( -5.001 -1.302 0.030) 5.168 16.658 ( -8.560 3.075 0.966) 9.147 16.727 ( -8.951 -4.388 0.254) 9.972 20.547 ( 20.965 2.081 -0.350) 21.071 20.591 ( 20.905 -2.481 -0.275) 21.053 20.810 ( 18.908 0.662 -0.352) 18.923 20.832 ( 18.572 -1.560 0.086) 18.638 22.640 ( -7.036 5.536 0.805) 8.989 22.702 ( -6.084 3.568 -0.169) 7.055 22.735 ( -7.419 -4.257 0.092) 8.554 22.769 ( -6.392 -3.187 -0.280) 7.148 26.669 ( 34.050 4.034 -0.057) 34.289 26.750 ( 34.428 -4.105 0.649) 34.678 27.112 ( 30.699 18.878 -1.320) 36.063 27.543 ( 24.905 -27.567 -1.865) 37.197 29.472 ( -6.421 3.229 0.854) 7.237 29.520 ( -6.848 -1.163 0.180) 6.949 29.652 ( -5.424 4.949 -0.244) 7.347 29.758 ( -3.850 -6.083 -1.510) 7.356 31.320 ( 8.142 2.681 -1.619) 8.723 31.359 ( 6.978 -1.775 -1.477) 7.350 31.448 ( -0.467 12.034 -0.173) 12.045 31.629 ( -3.940 -7.369 -0.157) 8.357 32.759 ( -9.338 3.647 5.482) 11.426 32.832 ( -10.185 -4.024 8.315) 13.750 33.096 ( -13.532 0.509 -2.954) 13.860 33.106 ( -13.213 -0.610 -2.034) 13.383 35.876 ( 0.727 0.687 0.507) 1.122 35.890 ( 0.506 -0.778 0.161) 0.942 36.436 ( -0.925 1.566 -0.560) 1.903 36.472 ( -2.399 -2.363 -0.914) 3.489 37.237 ( -4.349 5.146 -1.488) 6.900 37.333 ( -6.240 -4.840 -2.305) 8.227 37.710 ( -11.990 14.935 0.663) 19.164 37.960 ( -15.222 -11.849 1.588) 19.355 ======================= Grid point 26 (17/84) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 12.359 1.109 0.630) 12.425 1.823 ( 7.201 -3.391 -2.191) 8.256 2.020 ( 7.764 4.945 0.362) 9.212 2.104 ( 7.642 -1.840 3.637) 8.661 2.278 ( 8.350 8.725 4.296) 12.818 2.443 ( 11.335 -6.732 0.848) 13.211 2.542 ( 3.895 5.761 -2.039) 7.247 2.638 ( 3.636 -0.671 -4.635) 5.929 2.768 ( 1.696 -2.025 -1.912) 3.261 2.796 ( 2.352 -8.160 -0.405) 8.502 2.939 ( 2.030 1.409 -2.468) 3.492 3.018 ( 3.389 3.680 6.482) 8.188 3.030 ( -1.766 -4.340 0.221) 4.690 3.164 ( 3.007 -7.551 4.942) 9.512 3.411 ( -5.223 7.903 -5.330) 10.869 3.561 ( 1.991 1.578 0.569) 2.603 3.569 ( -0.429 -0.395 2.719) 2.781 3.618 ( -5.287 -10.520 -5.061) 12.815 3.755 ( 3.894 11.109 1.423) 11.857 3.945 ( 0.372 -3.095 2.114) 3.767 3.996 ( -7.158 1.270 1.187) 7.366 4.057 ( -4.036 -7.506 0.836) 8.563 4.173 ( -6.531 2.970 -2.410) 7.569 4.256 ( -5.547 -5.192 -2.929) 8.143 4.767 ( 2.616 5.762 -0.435) 6.343 4.815 ( 3.376 0.865 0.999) 3.625 4.904 ( -1.065 8.656 2.313) 9.023 4.981 ( -0.838 -1.061 -0.823) 1.583 5.056 ( 0.692 1.531 1.319) 2.137 5.175 ( 0.016 -6.947 1.283) 7.065 5.284 ( 3.545 2.389 -2.004) 4.722 5.372 ( 1.498 -5.263 -1.921) 5.800 5.656 ( 5.518 7.961 0.570) 9.703 5.777 ( 6.645 -4.774 -1.230) 8.274 5.964 ( 5.252 5.797 0.653) 7.849 6.071 ( 7.697 -5.497 1.288) 9.545 7.500 ( 15.468 3.251 1.083) 15.843 7.565 ( 13.211 -3.515 0.916) 13.701 7.643 ( 15.420 2.228 -1.284) 15.633 7.682 ( 15.365 -1.813 -1.666) 15.561 8.303 ( 3.556 1.948 -1.511) 4.327 8.353 ( 2.769 -3.084 -0.757) 4.213 8.406 ( 3.886 2.898 1.029) 4.956 8.464 ( 2.272 -2.773 1.202) 3.781 9.299 ( 15.051 2.603 1.735) 15.373 9.338 ( 16.310 -1.055 1.866) 16.451 9.451 ( 13.260 3.104 -1.214) 13.673 9.511 ( 15.537 -2.872 -3.495) 16.182 10.212 ( -13.181 1.917 1.229) 13.377 10.250 ( -14.438 -2.105 1.783) 14.699 10.349 ( -12.291 2.984 -0.976) 12.686 10.406 ( -12.555 -2.936 -1.627) 12.996 11.762 ( 18.185 3.558 -0.746) 18.545 11.831 ( 15.571 -3.711 -1.247) 16.056 11.960 ( 17.578 0.681 2.020) 17.707 11.974 ( 16.160 -0.680 1.632) 16.257 12.552 ( -1.562 1.810 0.606) 2.466 12.582 ( -0.867 -0.873 -0.059) 1.232 12.677 ( -1.266 1.319 0.427) 1.878 12.719 ( -0.638 -2.575 -0.877) 2.794 13.799 ( -8.064 8.873 2.113) 12.175 13.844 ( -8.101 9.897 -1.302) 12.856 13.978 ( -9.870 -8.263 1.717) 12.987 14.046 ( -9.726 -9.682 -2.136) 13.889 14.738 ( -16.298 4.200 -0.071) 16.830 14.794 ( -11.647 5.745 -0.727) 13.007 14.828 ( -11.945 -5.033 0.115) 12.963 14.909 ( -8.333 -6.376 -0.941) 10.535 15.901 ( -6.941 0.911 -0.947) 7.065 15.919 ( -7.684 -0.871 -0.926) 7.788 15.944 ( -6.212 0.683 0.754) 6.295 15.958 ( -6.911 -0.709 0.635) 6.976 16.498 ( -5.459 1.646 0.479) 5.722 16.534 ( -5.278 -1.971 0.887) 5.703 16.555 ( -4.368 1.866 -0.474) 4.774 16.596 ( -5.850 -2.703 -0.408) 6.458 20.993 ( 21.819 1.880 0.077) 21.900 21.029 ( 21.037 -1.856 0.774) 21.133 21.196 ( 18.255 0.460 -0.634) 18.272 21.212 ( 18.247 -1.107 -1.131) 18.315 22.480 ( -8.665 4.050 1.076) 9.625 22.543 ( -9.421 1.129 0.801) 9.522 22.559 ( -9.592 -1.619 -0.817) 9.761 22.606 ( -9.429 -2.897 -0.552) 9.879 27.311 ( 28.160 3.563 -0.092) 28.385 27.378 ( 26.447 -2.975 0.358) 26.616 27.640 ( 21.631 12.891 -0.856) 25.196 27.921 ( 13.007 -16.686 -0.877) 21.175 29.313 ( -8.904 2.433 0.122) 9.231 29.352 ( -9.438 -1.557 0.268) 9.569 29.526 ( -6.450 6.215 0.109) 8.958 29.653 ( -5.745 -7.216 -0.973) 9.274 31.488 ( 8.869 5.112 -1.666) 10.371 31.537 ( 9.864 -1.032 -1.802) 10.080 31.583 ( 11.950 2.820 0.734) 12.300 31.662 ( 6.972 -4.734 0.425) 8.439 32.547 ( -11.802 2.969 4.651) 13.028 32.597 ( -13.254 -2.318 5.297) 14.460 32.807 ( -14.247 0.920 -3.119) 14.614 32.828 ( -13.612 -1.256 -1.352) 13.737 35.891 ( 0.636 0.541 0.328) 0.897 35.902 ( 0.527 -0.564 0.112) 0.779 36.418 ( -1.154 0.499 -0.259) 1.283 36.430 ( -1.157 -0.781 -1.072) 1.760 37.165 ( -2.621 2.885 -1.040) 4.034 37.225 ( -4.159 -3.278 -1.519) 5.510 37.513 ( -7.502 10.737 0.831) 13.125 37.697 ( -10.517 -8.928 1.305) 13.857 ======================= Grid point 27 (18/84) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 0.968 3.723 -0.443) 3.872 1.964 ( 3.862 -4.528 0.546) 5.976 2.175 ( 6.234 8.223 0.725) 10.344 2.291 ( 10.004 -4.246 -1.572) 10.981 2.413 ( 2.503 5.071 2.664) 6.251 2.491 ( -3.388 -3.515 1.546) 5.120 2.660 ( 3.843 6.338 -0.993) 7.478 2.716 ( 3.356 4.688 -0.907) 5.836 2.796 ( 1.511 -3.295 -0.204) 3.631 2.833 ( 0.815 -5.463 -0.679) 5.565 2.940 ( -4.604 4.049 -1.182) 6.245 3.004 ( 3.988 -5.742 -0.325) 6.998 3.110 ( 4.725 -2.296 -0.235) 5.258 3.173 ( -1.737 -3.240 4.011) 5.441 3.332 ( -0.494 -3.239 -1.888) 3.781 3.432 ( -8.116 -10.737 -0.099) 13.460 3.566 ( -0.149 4.945 -1.814) 5.269 3.595 ( -0.866 1.890 0.327) 2.105 3.829 ( -0.371 7.937 1.289) 8.049 3.867 ( -0.528 3.686 1.351) 3.962 3.890 ( -4.593 -0.725 -0.234) 4.656 4.046 ( 1.070 -11.021 0.490) 11.083 4.092 ( -1.592 3.726 -0.814) 4.133 4.185 ( -1.576 -5.863 -1.244) 6.197 4.794 ( 0.236 10.911 -0.947) 10.955 4.870 ( 1.582 2.917 1.500) 3.642 4.905 ( 0.888 3.203 1.427) 3.617 4.959 ( -0.979 -1.779 -0.853) 2.202 5.053 ( -0.363 2.214 -0.075) 2.245 5.163 ( -0.696 -6.988 0.470) 7.039 5.328 ( 1.062 -0.827 -0.577) 1.465 5.386 ( 0.194 -4.782 -0.722) 4.840 5.722 ( 1.303 8.703 0.235) 8.803 5.850 ( 1.266 -4.891 -0.316) 5.062 6.033 ( 1.713 7.081 0.037) 7.285 6.172 ( 2.426 -7.266 0.570) 7.682 7.731 ( 4.689 0.758 0.136) 4.752 7.751 ( 6.303 -1.306 0.752) 6.481 7.849 ( 4.415 2.298 0.119) 4.979 7.883 ( 4.893 -1.259 -0.967) 5.144 8.384 ( 2.872 0.874 -1.594) 3.399 8.398 ( 1.981 -0.412 -0.444) 2.072 8.482 ( 1.918 2.630 0.914) 3.381 8.518 ( 2.463 -1.054 0.574) 2.740 9.539 ( 7.242 1.817 1.387) 7.594 9.584 ( 6.219 -2.754 1.928) 7.069 9.683 ( 9.434 3.302 -2.931) 10.416 9.739 ( 5.541 -2.741 -2.376) 6.623 9.993 ( -8.437 2.869 2.361) 9.219 10.054 ( -3.975 -3.508 1.791) 5.596 10.159 ( -5.683 2.351 -1.181) 6.262 10.211 ( -5.651 -3.071 -1.227) 6.548 12.167 ( 19.464 0.879 -0.600) 19.493 12.184 ( 17.424 -0.875 -0.266) 17.448 12.325 ( 15.742 0.724 0.810) 15.780 12.334 ( 16.683 -0.277 0.706) 16.701 12.479 ( -6.298 1.345 0.723) 6.481 12.498 ( -8.173 -0.364 -0.410) 8.191 12.623 ( -5.114 0.717 0.643) 5.204 12.651 ( -7.010 -1.896 -0.991) 7.329 13.624 ( -7.544 7.348 0.732) 10.557 13.697 ( -4.846 8.131 -0.559) 9.481 13.763 ( -8.636 -7.123 0.858) 11.228 13.854 ( -6.766 -8.201 -0.800) 10.662 14.388 ( -12.216 8.660 -0.040) 14.974 14.527 ( -9.253 9.889 -0.242) 13.546 14.566 ( -9.254 -8.888 0.155) 12.832 14.724 ( -6.621 -9.717 -0.331) 11.764 15.886 ( 1.799 -0.011 0.163) 1.807 15.891 ( 2.377 -0.557 -0.006) 2.442 15.941 ( 2.145 0.343 -0.432) 2.215 15.944 ( 1.997 0.045 -0.444) 2.046 16.400 ( -3.146 0.793 1.030) 3.404 16.425 ( -4.166 -1.828 1.359) 4.748 16.467 ( -3.253 1.031 -0.811) 3.508 16.482 ( -4.385 -0.623 -0.958) 4.531 21.361 ( 12.030 0.758 0.358) 12.059 21.370 ( 10.621 -0.175 0.906) 10.661 21.481 ( 7.893 1.725 -0.529) 8.097 21.520 ( 10.229 -2.269 -1.331) 10.562 22.327 ( -4.836 1.427 0.891) 5.120 22.354 ( -7.248 -1.105 0.947) 7.392 22.388 ( -5.737 1.409 -0.802) 5.962 22.421 ( -7.097 -1.800 -0.579) 7.345 27.727 ( 10.661 3.274 0.207) 11.154 27.783 ( 12.688 -2.647 -0.426) 12.969 27.976 ( 11.000 4.535 -0.179) 11.899 28.070 ( 1.561 -5.438 -0.017) 5.658 29.156 ( -4.966 0.657 -0.296) 5.018 29.176 ( -6.363 -1.401 0.295) 6.522 29.421 ( -3.185 7.180 0.096) 7.855 29.561 ( -2.636 -7.713 -0.282) 8.156 31.667 ( 7.018 2.197 -0.637) 7.381 31.701 ( 4.979 -1.471 -1.157) 5.319 31.840 ( 11.172 1.120 0.037) 11.228 31.865 ( 10.323 -1.521 0.516) 10.448 32.308 ( -10.305 1.182 2.078) 10.579 32.328 ( -11.723 -0.942 1.561) 11.863 32.566 ( -7.605 2.017 -1.376) 7.988 32.599 ( -7.352 -1.389 -0.017) 7.482 35.900 ( 0.246 0.480 0.103) 0.549 35.910 ( 0.220 -0.481 0.051) 0.531 36.394 ( -0.741 1.526 -0.193) 1.707 36.423 ( -0.041 -1.524 -0.354) 1.565 37.130 ( -0.854 1.563 -0.380) 1.821 37.167 ( -1.486 -2.189 -0.520) 2.696 37.411 ( -2.522 8.017 0.366) 8.412 37.550 ( -3.794 -6.793 0.515) 7.798 ======================= Grid point 55 (19/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -40.816 0.000 21.967) 46.352 0.600 ( 14.756 0.000 30.015) 33.446 0.878 ( -1.647 0.000 41.801) 41.834 1.473 ( -3.884 0.000 6.510) 7.581 1.610 ( 13.599 0.000 -15.327) 20.490 2.052 ( -4.603 0.000 -1.326) 4.790 2.101 ( -1.558 0.000 -6.618) 6.799 2.130 ( -1.297 0.000 -1.132) 1.722 2.201 ( 4.964 0.000 -6.360) 8.068 2.371 ( 3.699 0.000 4.958) 6.186 2.422 ( 1.616 0.000 5.816) 6.037 2.469 ( -6.656 0.000 -3.253) 7.408 2.656 ( -2.675 0.000 7.186) 7.667 2.754 ( 1.699 0.000 -1.712) 2.412 2.755 ( 4.238 0.000 4.767) 6.379 2.960 ( 2.407 0.000 -3.344) 4.120 3.135 ( 1.770 0.000 -7.777) 7.976 3.613 ( 4.805 0.000 6.955) 8.453 3.675 ( -3.146 0.000 -20.396) 20.637 4.025 ( -0.198 0.000 11.164) 11.166 4.083 ( -6.067 0.000 -9.780) 11.509 4.323 ( -0.692 0.000 5.589) 5.631 4.360 ( 2.215 0.000 3.194) 3.887 4.553 ( -0.709 0.000 4.113) 4.174 4.668 ( 1.874 0.000 -2.672) 3.263 4.765 ( 0.049 0.000 -0.747) 0.749 4.800 ( 2.133 0.000 4.144) 4.660 4.876 ( -0.861 0.000 -2.021) 2.197 4.924 ( 3.712 0.000 -2.880) 4.698 5.159 ( -4.457 0.000 -1.285) 4.639 5.203 ( 0.897 0.000 -1.886) 2.089 5.221 ( -1.410 0.000 -3.970) 4.213 5.363 ( -1.426 0.000 -0.283) 1.454 5.379 ( -0.284 0.000 -1.695) 1.718 5.639 ( 4.012 0.000 14.643) 15.183 6.434 ( -17.022 0.000 -8.091) 18.847 6.775 ( 9.447 0.000 2.129) 9.684 6.842 ( -4.554 0.000 -1.532) 4.804 7.046 ( 10.460 0.000 -0.815) 10.491 7.098 ( 0.417 0.000 -1.027) 1.109 8.089 ( 1.172 0.000 0.903) 1.480 8.169 ( -0.942 0.000 -0.995) 1.370 8.305 ( -1.806 0.000 0.398) 1.850 8.347 ( 1.577 0.000 -0.671) 1.714 8.452 ( 1.552 0.000 0.470) 1.622 8.482 ( -6.327 0.000 -0.287) 6.334 8.538 ( 0.357 0.000 0.657) 0.747 8.596 ( 2.640 0.000 -0.756) 2.746 10.932 ( 8.466 0.000 0.644) 8.491 11.044 ( 0.608 0.000 -2.183) 2.266 11.094 ( -0.056 0.000 1.067) 1.068 11.163 ( -0.355 0.000 -0.594) 0.692 11.521 ( -1.582 0.000 -0.415) 1.636 11.593 ( 7.815 0.000 -2.117) 8.097 11.641 ( 1.912 0.000 1.579) 2.479 11.659 ( -2.756 0.000 1.111) 2.971 12.453 ( -0.636 0.000 0.915) 1.115 12.493 ( 0.481 0.000 0.116) 0.495 12.533 ( 1.193 0.000 -0.928) 1.511 12.538 ( 0.357 0.000 -0.805) 0.880 13.823 ( -1.372 0.000 0.262) 1.396 13.837 ( 1.077 0.000 -0.096) 1.082 14.141 ( -37.267 0.000 0.412) 37.269 14.201 ( 3.836 0.000 -1.088) 3.987 14.344 ( 1.794 0.000 0.540) 1.874 14.369 ( 3.050 0.000 -0.106) 3.052 14.371 ( -4.460 0.000 -0.089) 4.461 14.376 ( -1.837 0.000 -0.202) 1.849 16.133 ( -0.089 0.000 0.708) 0.713 16.189 ( 0.606 0.000 -0.644) 0.884 16.266 ( 0.108 0.000 0.995) 1.001 16.325 ( -0.155 0.000 -0.422) 0.449 17.234 ( 0.339 0.000 0.011) 0.339 17.239 ( -0.350 0.000 -0.086) 0.361 17.497 ( 1.578 0.000 1.001) 1.868 17.569 ( -1.927 0.000 -0.693) 2.048 20.063 ( -1.420 0.000 0.309) 1.453 20.121 ( 3.871 0.000 -1.093) 4.022 20.231 ( -0.379 0.000 0.238) 0.447 20.232 ( 12.317 0.000 0.240) 12.319 22.610 ( 0.567 0.000 0.382) 0.684 22.637 ( -0.549 0.000 -0.254) 0.605 22.949 ( -0.821 0.000 0.423) 0.924 23.004 ( 0.887 0.000 -0.884) 1.252 25.281 ( 1.722 0.000 -0.085) 1.724 25.283 ( -0.879 0.000 -0.197) 0.901 25.291 ( -7.870 0.000 0.111) 7.871 25.293 ( -1.625 0.000 -0.010) 1.625 29.498 ( -0.554 0.000 0.157) 0.576 29.507 ( 0.466 0.000 -0.067) 0.470 29.753 ( 0.864 0.000 0.629) 1.069 29.800 ( -0.767 0.000 -0.482) 0.906 30.654 ( 0.076 0.000 2.892) 2.893 30.949 ( -0.001 0.000 -4.085) 4.085 31.443 ( -0.729 0.000 5.462) 5.511 32.143 ( 1.338 0.000 -11.761) 11.837 33.074 ( 0.261 0.000 6.283) 6.288 33.337 ( 15.536 0.000 0.238) 15.538 33.519 ( -1.236 0.000 -0.931) 1.548 33.529 ( 0.070 0.000 -1.804) 1.805 35.939 ( 0.039 0.000 9.944) 9.944 36.401 ( -0.129 0.000 -2.425) 2.428 36.618 ( 5.296 0.000 0.466) 5.316 36.710 ( -0.609 0.000 -0.936) 1.116 37.248 ( 0.041 0.000 0.808) 0.809 37.431 ( 0.298 0.000 -3.721) 3.733 38.998 ( 1.646 0.000 0.117) 1.651 39.039 ( -16.356 0.000 -0.895) 16.381 ======================= Grid point 56 (20/84) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 37.483 0.000 -3.132) 37.613 0.940 ( 18.376 0.000 26.486) 32.237 1.106 ( 22.553 0.000 22.840) 32.098 1.649 ( 15.122 0.000 -0.516) 15.131 1.988 ( 8.194 0.000 -10.869) 13.612 2.008 ( 3.998 0.000 -2.983) 4.988 2.128 ( 9.645 0.000 -6.468) 11.613 2.135 ( 1.300 0.000 0.180) 1.312 2.327 ( -3.519 0.000 0.633) 3.576 2.346 ( 4.179 0.000 -8.845) 9.783 2.506 ( 9.557 0.000 9.403) 13.407 2.566 ( 15.134 0.000 10.726) 18.550 2.801 ( 11.260 0.000 4.650) 12.182 2.876 ( 7.822 0.000 -4.201) 8.879 2.952 ( 16.954 0.000 5.158) 17.721 3.219 ( 9.217 0.000 -7.450) 11.851 3.313 ( 16.559 0.000 -7.057) 18.000 3.663 ( 3.233 0.000 -22.316) 22.549 3.814 ( 13.027 0.000 -1.218) 13.084 3.954 ( -5.243 0.000 -9.748) 11.068 3.981 ( -3.879 0.000 10.089) 10.809 4.243 ( -6.424 0.000 5.366) 8.370 4.412 ( 4.147 0.000 2.124) 4.659 4.516 ( -1.463 0.000 3.054) 3.387 4.672 ( -1.720 0.000 -7.418) 7.614 4.746 ( -4.081 0.000 0.284) 4.091 4.787 ( -5.072 0.000 4.925) 7.070 4.840 ( -1.391 0.000 4.319) 4.538 5.020 ( 5.639 0.000 -0.617) 5.672 5.069 ( -4.141 0.000 6.987) 8.122 5.128 ( -4.676 0.000 -1.015) 4.785 5.246 ( 1.659 0.000 -2.161) 2.724 5.390 ( -0.203 0.000 1.458) 1.472 5.422 ( 5.647 0.000 -1.121) 5.757 5.599 ( -21.253 0.000 15.069) 26.053 5.616 ( -6.194 0.000 10.732) 12.391 6.811 ( 2.749 0.000 -3.872) 4.748 6.813 ( 2.912 0.000 3.795) 4.783 7.083 ( -1.707 0.000 1.634) 2.363 7.122 ( 2.023 0.000 -1.408) 2.465 8.195 ( 3.556 0.000 -1.344) 3.801 8.204 ( 8.418 0.000 1.025) 8.480 8.311 ( 2.234 0.000 -0.245) 2.248 8.344 ( -1.482 0.000 -0.383) 1.531 8.506 ( 3.873 0.000 -1.330) 4.095 8.565 ( 7.732 0.000 1.435) 7.864 8.614 ( 8.258 0.000 2.119) 8.526 8.663 ( 3.154 0.000 -2.157) 3.821 10.977 ( -4.980 0.000 -0.871) 5.056 11.011 ( -3.779 0.000 -2.571) 4.571 11.071 ( -2.347 0.000 0.634) 2.431 11.171 ( -2.053 0.000 -1.188) 2.372 11.396 ( -9.603 0.000 -1.043) 9.660 11.549 ( -6.142 0.000 -1.445) 6.310 11.610 ( -5.609 0.000 -2.583) 6.175 11.610 ( -2.886 0.000 1.716) 3.358 12.457 ( 1.637 0.000 0.545) 1.726 12.496 ( 0.204 0.000 0.333) 0.391 12.612 ( 5.079 0.000 -0.648) 5.120 12.631 ( 6.235 0.000 -0.208) 6.239 13.913 ( 5.667 0.000 0.835) 5.729 13.914 ( 8.801 0.000 -0.262) 8.805 14.163 ( -6.296 0.000 0.292) 6.303 14.207 ( -7.914 0.000 -0.964) 7.973 14.422 ( 13.106 0.000 2.219) 13.293 14.503 ( 10.035 0.000 -3.290) 10.560 14.639 ( 17.636 0.000 1.308) 17.685 15.098 ( 39.895 0.000 -39.800) 56.353 16.193 ( 5.345 0.000 0.526) 5.371 16.279 ( 5.079 0.000 -2.369) 5.605 16.320 ( 10.349 0.000 -2.789) 10.718 16.328 ( 1.009 0.000 -0.527) 1.138 17.118 ( -11.531 0.000 -0.509) 11.542 17.128 ( -10.589 0.000 0.332) 10.594 17.382 ( -12.735 0.000 2.291) 12.940 17.400 ( -14.820 0.000 -3.613) 15.255 20.036 ( 0.461 0.000 -1.811) 1.868 20.105 ( 0.095 0.000 -0.827) 0.832 20.291 ( 6.201 0.000 0.094) 6.202 20.386 ( 6.380 0.000 0.375) 6.391 22.615 ( -0.211 0.000 1.094) 1.114 22.645 ( 1.006 0.000 -1.074) 1.472 22.932 ( -0.854 0.000 -0.324) 0.914 23.002 ( -1.147 0.000 -0.004) 1.147 25.465 ( 17.757 0.000 -0.309) 17.760 25.505 ( 20.847 0.000 1.293) 20.887 25.556 ( 24.767 0.000 1.485) 24.811 26.658 ( 78.382 0.000 -72.179) 106.553 29.470 ( -2.144 0.000 -0.100) 2.146 29.509 ( -0.310 0.000 0.296) 0.429 29.770 ( 0.507 0.000 1.393) 1.482 29.811 ( 1.481 0.000 -3.341) 3.655 30.695 ( 3.887 0.000 2.897) 4.847 30.973 ( 2.768 0.000 -4.082) 4.932 31.408 ( -2.665 0.000 4.596) 5.313 32.065 ( -7.444 0.000 -9.535) 12.097 33.042 ( -3.672 0.000 6.226) 7.228 33.441 ( -6.417 0.000 -2.199) 6.783 33.452 ( -4.616 0.000 -4.523) 6.463 33.531 ( -0.703 0.000 -2.507) 2.604 35.941 ( -0.396 0.000 9.781) 9.789 36.391 ( -0.703 0.000 -2.794) 2.881 36.476 ( -16.281 0.000 15.947) 22.790 36.674 ( -2.849 0.000 -1.832) 3.387 37.228 ( -1.725 0.000 0.583) 1.821 37.403 ( -2.652 0.000 -3.301) 4.234 38.118 ( -38.958 0.000 34.693) 52.166 38.890 ( -11.712 0.000 0.196) 11.713 ======================= Grid point 57 (21/84) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 19.142 0.000 14.006) 23.719 1.358 ( 20.794 0.000 18.600) 27.899 1.685 ( 22.224 0.000 -10.721) 24.674 1.867 ( 5.069 0.000 -2.138) 5.502 1.988 ( -2.314 0.000 -7.169) 7.534 2.163 ( 16.555 0.000 4.118) 17.060 2.207 ( -5.475 0.000 3.939) 6.744 2.317 ( 7.618 0.000 -8.651) 11.527 2.319 ( 14.109 0.000 -1.227) 14.162 2.499 ( 8.748 0.000 -8.695) 12.334 2.771 ( 14.778 0.000 7.936) 16.774 2.821 ( 7.735 0.000 1.097) 7.812 3.018 ( 8.189 0.000 -4.227) 9.215 3.075 ( 10.827 0.000 1.356) 10.911 3.345 ( 18.956 0.000 10.452) 21.646 3.372 ( 5.176 0.000 1.258) 5.327 3.574 ( 6.762 0.000 5.735) 8.866 3.713 ( 1.367 0.000 -19.175) 19.224 3.862 ( -6.965 0.000 9.574) 11.839 3.897 ( -0.500 0.000 -8.005) 8.020 4.062 ( 5.317 0.000 -4.666) 7.074 4.172 ( 2.953 0.000 -1.363) 3.252 4.532 ( -2.650 0.000 -2.925) 3.946 4.550 ( -0.416 0.000 1.606) 1.659 4.580 ( -7.468 0.000 -4.361) 8.648 4.635 ( 3.602 0.000 1.106) 3.768 4.671 ( 3.736 0.000 2.255) 4.364 4.827 ( 0.067 0.000 12.756) 12.756 5.046 ( 0.893 0.000 4.143) 4.238 5.084 ( -0.110 0.000 1.781) 1.785 5.119 ( 3.315 0.000 2.913) 4.413 5.291 ( 3.661 0.000 -0.815) 3.751 5.386 ( 2.621 0.000 0.631) 2.696 5.512 ( -1.417 0.000 0.046) 1.417 5.562 ( 5.883 0.000 -0.737) 5.929 5.585 ( 11.523 0.000 -1.315) 11.598 6.939 ( 9.783 0.000 2.821) 10.181 6.946 ( 10.345 0.000 -3.563) 10.941 7.096 ( 3.924 0.000 2.234) 4.516 7.202 ( 6.921 0.000 -1.235) 7.030 8.285 ( 2.411 0.000 0.338) 2.434 8.296 ( -0.019 0.000 0.045) 0.049 8.316 ( 1.502 0.000 -2.097) 2.580 8.408 ( 6.055 0.000 2.680) 6.622 8.627 ( 8.770 0.000 -2.002) 8.996 8.748 ( 11.233 0.000 1.424) 11.323 8.787 ( 10.451 0.000 -3.393) 10.988 8.865 ( 15.086 0.000 3.957) 15.596 10.808 ( -15.094 0.000 -1.434) 15.162 10.829 ( -11.328 0.000 0.834) 11.359 10.959 ( -10.014 0.000 0.957) 10.060 11.012 ( -12.881 0.000 -1.259) 12.942 11.243 ( -2.131 0.000 -1.361) 2.529 11.482 ( 1.347 0.000 -3.587) 3.831 11.569 ( 2.808 0.000 -0.585) 2.869 11.616 ( 3.861 0.000 0.751) 3.933 12.507 ( 2.781 0.000 0.603) 2.846 12.513 ( 1.592 0.000 0.990) 1.875 12.697 ( 2.889 0.000 -0.762) 2.988 12.729 ( 2.958 0.000 -0.018) 2.958 13.917 ( -6.275 0.000 0.637) 6.308 14.021 ( -10.139 0.000 -0.184) 10.141 14.126 ( 10.574 0.000 -0.275) 10.577 14.193 ( 8.289 0.000 0.048) 8.289 14.662 ( 10.296 0.000 1.229) 10.369 14.694 ( 9.241 0.000 -1.651) 9.387 14.932 ( 8.409 0.000 5.347) 9.965 15.319 ( -4.245 0.000 -13.977) 14.607 16.290 ( 2.253 0.000 -1.228) 2.566 16.360 ( 1.865 0.000 -1.833) 2.615 16.373 ( 1.573 0.000 0.604) 1.685 16.524 ( 2.205 0.000 -1.838) 2.871 16.788 ( -19.707 0.000 -1.542) 19.767 16.839 ( -16.152 0.000 0.726) 16.169 17.025 ( -20.916 0.000 3.275) 21.171 17.035 ( -17.233 0.000 -5.387) 18.056 20.147 ( 11.578 0.000 -2.365) 11.817 20.228 ( 12.748 0.000 -3.754) 13.289 20.486 ( 13.228 0.000 0.248) 13.230 20.585 ( 12.815 0.000 0.403) 12.821 22.595 ( -2.004 0.000 1.710) 2.635 22.648 ( -1.273 0.000 -1.912) 2.297 22.904 ( -2.342 0.000 -0.551) 2.406 22.952 ( -3.967 0.000 0.475) 3.996 25.961 ( 30.011 0.000 -0.097) 30.011 26.048 ( 31.153 0.000 -0.172) 31.154 26.209 ( 36.857 0.000 7.207) 37.555 27.663 ( 31.012 0.000 -48.950) 57.947 29.412 ( -3.618 0.000 -0.046) 3.619 29.490 ( -1.694 0.000 0.498) 1.766 29.761 ( -1.949 0.000 2.176) 2.921 29.837 ( 0.892 0.000 -5.989) 6.055 30.820 ( 8.390 0.000 2.706) 8.816 31.064 ( 6.658 0.000 -3.948) 7.740 31.364 ( -1.121 0.000 3.144) 3.338 31.878 ( -9.452 0.000 -6.294) 11.356 32.939 ( -6.744 0.000 6.273) 9.211 33.262 ( -11.006 0.000 -3.458) 11.537 33.288 ( -11.083 0.000 -3.067) 11.499 33.413 ( -9.474 0.000 3.525) 10.109 35.938 ( -0.370 0.000 8.628) 8.636 36.195 ( -10.680 0.000 20.402) 23.028 36.374 ( -0.654 0.000 -3.409) 3.472 36.595 ( -4.712 0.000 -3.024) 5.599 37.193 ( -1.602 0.000 -0.601) 1.711 37.332 ( -3.914 0.000 -2.355) 4.567 37.664 ( -13.789 0.000 14.242) 19.823 38.571 ( -18.568 0.000 -1.712) 18.647 ======================= Grid point 58 (22/84) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 17.254 0.000 10.145) 20.015 1.764 ( 16.472 0.000 8.129) 18.369 1.864 ( 0.736 0.000 -4.633) 4.691 1.933 ( -0.992 0.000 -1.970) 2.206 2.041 ( 15.153 0.000 -1.449) 15.222 2.145 ( -0.068 0.000 0.915) 0.918 2.448 ( 8.264 0.000 -0.360) 8.271 2.465 ( 7.499 0.000 -6.835) 10.146 2.649 ( 6.589 0.000 -5.916) 8.855 2.694 ( 18.718 0.000 -1.010) 18.745 2.953 ( 5.666 0.000 2.895) 6.362 3.018 ( 9.472 0.000 -1.780) 9.638 3.177 ( 0.680 0.000 -4.119) 4.175 3.235 ( 9.694 0.000 5.142) 10.973 3.427 ( 1.582 0.000 5.548) 5.769 3.578 ( 1.853 0.000 7.277) 7.510 3.601 ( -1.944 0.000 11.461) 11.624 3.713 ( -7.251 0.000 7.849) 10.686 3.761 ( 4.742 0.000 -10.471) 11.495 3.874 ( -1.198 0.000 -7.958) 8.048 4.074 ( -1.736 0.000 -1.564) 2.337 4.223 ( -0.751 0.000 -7.553) 7.590 4.338 ( -11.573 0.000 -2.379) 11.815 4.363 ( -10.481 0.000 -2.711) 10.826 4.503 ( 0.816 0.000 -1.981) 2.142 4.792 ( -2.013 0.000 2.486) 3.199 4.818 ( 1.407 0.000 11.170) 11.258 4.915 ( 14.779 0.000 -5.814) 15.882 5.052 ( -0.687 0.000 0.902) 1.134 5.135 ( -0.044 0.000 0.584) 0.586 5.184 ( 6.059 0.000 6.459) 8.857 5.383 ( 4.698 0.000 -1.736) 5.008 5.470 ( 4.785 0.000 3.000) 5.648 5.586 ( 7.820 0.000 -3.674) 8.640 5.737 ( 10.573 0.000 0.373) 10.579 5.885 ( 16.484 0.000 -2.792) 16.719 7.192 ( 13.255 0.000 3.704) 13.763 7.210 ( 15.495 0.000 -3.864) 15.969 7.302 ( 17.847 0.000 0.984) 17.874 7.418 ( 13.813 0.000 -0.698) 13.831 8.260 ( -2.589 0.000 -0.602) 2.658 8.279 ( 0.838 0.000 0.485) 0.968 8.413 ( 4.617 0.000 -1.504) 4.856 8.496 ( 2.392 0.000 2.709) 3.614 8.863 ( 14.374 0.000 -2.365) 14.567 9.023 ( 15.441 0.000 2.534) 15.648 9.075 ( 17.656 0.000 -4.812) 18.300 9.197 ( 16.889 0.000 4.492) 17.476 10.471 ( -16.593 0.000 -0.462) 16.599 10.539 ( -15.583 0.000 0.184) 15.584 10.689 ( -15.620 0.000 1.880) 15.733 10.710 ( -15.728 0.000 -2.223) 15.884 11.344 ( 11.523 0.000 -0.142) 11.524 11.593 ( 9.363 0.000 -4.277) 10.294 11.714 ( 11.030 0.000 0.279) 11.034 11.749 ( 9.069 0.000 0.360) 9.076 12.550 ( 0.844 0.000 0.769) 1.142 12.555 ( 1.975 0.000 1.002) 2.214 12.730 ( 0.918 0.000 -1.288) 1.582 12.749 ( -0.592 0.000 0.286) 0.658 13.760 ( -8.309 0.000 0.023) 8.309 13.805 ( -10.522 0.000 0.160) 10.524 14.280 ( 2.844 0.000 -1.071) 3.038 14.316 ( 1.138 0.000 1.279) 1.712 14.812 ( 2.645 0.000 0.548) 2.702 14.835 ( 2.539 0.000 -1.342) 2.872 14.998 ( -0.102 0.000 3.529) 3.531 15.170 ( -7.299 0.000 -4.574) 8.614 16.156 ( -21.630 0.000 -1.208) 21.664 16.189 ( -13.564 0.000 -1.280) 13.624 16.211 ( -17.059 0.000 0.588) 17.069 16.304 ( -18.476 0.000 0.766) 18.492 16.530 ( -3.914 0.000 -1.515) 4.197 16.623 ( -5.693 0.000 0.999) 5.780 16.691 ( -8.140 0.000 2.941) 8.655 16.826 ( -5.992 0.000 -2.723) 6.582 20.490 ( 21.257 0.000 -1.299) 21.297 20.592 ( 22.362 0.000 -4.120) 22.738 20.816 ( 18.775 0.000 0.538) 18.782 20.881 ( 15.928 0.000 -0.078) 15.928 22.532 ( -4.460 0.000 1.954) 4.869 22.579 ( -5.457 0.000 -2.333) 5.935 22.821 ( -6.027 0.000 -0.422) 6.042 22.836 ( -7.662 0.000 0.587) 7.684 26.619 ( 33.879 0.000 0.070) 33.879 26.701 ( 32.236 0.000 -0.330) 32.238 26.951 ( 34.191 0.000 8.642) 35.266 28.057 ( 12.879 0.000 -24.720) 27.874 29.325 ( -4.898 0.000 0.080) 4.898 29.437 ( -3.748 0.000 0.481) 3.778 29.676 ( -6.847 0.000 2.848) 7.415 29.822 ( -2.383 0.000 -7.120) 7.508 31.038 ( 12.959 0.000 2.440) 13.186 31.242 ( 11.206 0.000 -3.812) 11.837 31.397 ( 4.695 0.000 1.904) 5.066 31.728 ( -3.972 0.000 -3.565) 5.337 32.780 ( -9.308 0.000 6.513) 11.361 33.002 ( -14.191 0.000 -4.644) 14.932 33.012 ( -15.666 0.000 -1.515) 15.739 33.191 ( -12.419 0.000 4.307) 13.144 35.937 ( -0.109 0.000 7.031) 7.032 36.058 ( -4.566 0.000 13.354) 14.114 36.366 ( 0.164 0.000 -4.206) 4.210 36.488 ( -5.446 0.000 -3.815) 6.649 37.163 ( -1.318 0.000 -1.077) 1.703 37.255 ( -3.353 0.000 -1.241) 3.576 37.457 ( -8.242 0.000 6.701) 10.622 38.188 ( -18.266 0.000 -3.027) 18.515 ======================= Grid point 59 (23/84) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 6.359 0.000 -0.841) 6.414 1.824 ( -2.491 0.000 -3.204) 4.058 1.949 ( 9.725 0.000 4.007) 10.519 2.133 ( 11.846 0.000 3.906) 12.473 2.221 ( 7.692 0.000 -1.085) 7.768 2.334 ( 11.578 0.000 6.839) 13.447 2.602 ( 8.938 0.000 -6.707) 11.175 2.602 ( 6.295 0.000 -3.907) 7.409 2.778 ( 6.440 0.000 0.531) 6.462 2.947 ( 6.282 0.000 -0.187) 6.285 3.032 ( -0.215 0.000 8.005) 8.008 3.105 ( -2.759 0.000 1.730) 3.256 3.139 ( -1.695 0.000 -3.178) 3.602 3.303 ( 3.511 0.000 4.487) 5.697 3.509 ( -1.849 0.000 7.806) 8.022 3.521 ( -6.280 0.000 4.082) 7.490 3.579 ( -3.394 0.000 2.879) 4.450 3.621 ( 4.615 0.000 5.918) 7.505 3.784 ( -2.337 0.000 -6.891) 7.276 3.870 ( 1.326 0.000 -5.745) 5.896 4.017 ( -3.104 0.000 -4.151) 5.183 4.132 ( -7.481 0.000 -5.205) 9.114 4.144 ( -6.001 0.000 -6.883) 9.131 4.199 ( -5.197 0.000 -4.738) 7.033 4.568 ( 4.419 0.000 -1.109) 4.556 4.722 ( -2.672 0.000 1.859) 3.255 4.850 ( -0.134 0.000 9.214) 9.215 5.009 ( -1.524 0.000 1.223) 1.954 5.091 ( -2.644 0.000 1.457) 3.019 5.156 ( 8.728 0.000 -10.265) 13.474 5.261 ( 0.282 0.000 6.014) 6.020 5.447 ( 1.934 0.000 -3.710) 4.183 5.568 ( 3.911 0.000 7.442) 8.407 5.773 ( 9.691 0.000 -3.749) 10.391 5.914 ( 5.370 0.000 3.661) 6.499 6.161 ( 9.992 0.000 -3.746) 10.671 7.491 ( 15.808 0.000 2.094) 15.946 7.529 ( 15.099 0.000 -3.218) 15.438 7.673 ( 9.507 0.000 -1.768) 9.670 7.688 ( 15.730 0.000 2.291) 15.896 8.240 ( 2.246 0.000 -1.669) 2.798 8.364 ( 7.228 0.000 1.425) 7.367 8.466 ( 0.255 0.000 -0.845) 0.883 8.497 ( -2.628 0.000 1.293) 2.929 9.180 ( 16.517 0.000 -3.011) 16.790 9.346 ( 15.280 0.000 3.188) 15.609 9.461 ( 19.149 0.000 -5.410) 19.899 9.520 ( 13.814 0.000 5.140) 14.739 10.191 ( -10.234 0.000 1.340) 10.321 10.255 ( -11.699 0.000 -1.365) 11.778 10.369 ( -15.299 0.000 3.155) 15.620 10.411 ( -12.774 0.000 -3.676) 13.292 11.689 ( 21.947 0.000 0.656) 21.957 11.847 ( 15.953 0.000 -3.526) 16.338 11.984 ( 14.265 0.000 -0.166) 14.266 11.998 ( 16.566 0.000 0.535) 16.575 12.532 ( -2.346 0.000 1.103) 2.592 12.550 ( -3.316 0.000 -0.203) 3.323 12.737 ( -0.800 0.000 -2.015) 2.167 12.737 ( -0.335 0.000 1.527) 1.563 13.601 ( -7.196 0.000 0.127) 7.197 13.622 ( -7.284 0.000 -0.013) 7.284 14.200 ( -11.841 0.000 2.215) 12.046 14.203 ( -9.500 0.000 -1.972) 9.702 14.668 ( -19.865 0.000 -0.604) 19.875 14.669 ( -17.448 0.000 -0.031) 17.448 14.948 ( -5.983 0.000 1.773) 6.240 15.038 ( -6.811 0.000 -1.297) 6.933 15.848 ( -5.122 0.000 -1.896) 5.462 15.918 ( -8.398 0.000 -0.852) 8.441 15.952 ( -4.232 0.000 1.075) 4.367 15.986 ( -9.293 0.000 0.599) 9.312 16.468 ( -3.308 0.000 0.132) 3.311 16.514 ( -5.364 0.000 -0.103) 5.365 16.595 ( -4.896 0.000 1.614) 5.155 16.679 ( -8.825 0.000 -0.517) 8.840 20.942 ( 22.101 0.000 -0.765) 22.114 21.067 ( 23.123 0.000 -2.139) 23.222 21.204 ( 18.214 0.000 0.896) 18.236 21.204 ( 15.493 0.000 -0.875) 15.518 22.421 ( -6.301 0.000 1.792) 6.551 22.438 ( -7.660 0.000 -2.216) 7.974 22.644 ( -11.139 0.000 0.790) 11.167 22.657 ( -10.004 0.000 -0.511) 10.018 27.281 ( 30.616 0.000 -0.383) 30.618 27.303 ( 26.243 0.000 1.174) 26.269 27.545 ( 23.409 0.000 5.709) 24.095 28.206 ( 3.257 0.000 -11.001) 11.473 29.220 ( -5.227 0.000 0.054) 5.227 29.336 ( -6.149 0.000 -0.027) 6.149 29.497 ( -10.381 0.000 3.415) 10.928 29.739 ( -4.583 0.000 -7.058) 8.416 31.334 ( 15.715 0.000 2.224) 15.872 31.502 ( 14.263 0.000 -3.710) 14.738 31.553 ( 9.875 0.000 1.438) 9.979 31.739 ( 5.096 0.000 -1.902) 5.440 32.568 ( -12.193 0.000 5.644) 13.436 32.671 ( -17.540 0.000 -1.304) 17.588 32.705 ( -13.912 0.000 -4.309) 14.564 32.926 ( -13.761 0.000 3.576) 14.218 35.940 ( -0.073 0.000 5.713) 5.713 36.004 ( -1.788 0.000 8.677) 8.860 36.372 ( -0.699 0.000 -5.899) 5.941 36.388 ( -2.387 0.000 -2.927) 3.777 37.142 ( -0.667 0.000 -0.952) 1.162 37.200 ( -2.003 0.000 -0.493) 2.063 37.327 ( -4.938 0.000 4.719) 6.830 37.859 ( -13.522 0.000 -3.343) 13.929 ======================= Grid point 60 (24/84) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( -0.310 0.000 -1.727) 1.755 1.851 ( 2.150 0.000 -4.193) 4.712 2.134 ( 4.556 0.000 7.430) 8.716 2.318 ( 6.992 0.000 -3.623) 7.875 2.362 ( 3.003 0.000 1.260) 3.257 2.457 ( 0.749 0.000 2.721) 2.822 2.705 ( 2.997 0.000 -0.361) 3.019 2.791 ( 4.940 0.000 0.048) 4.940 2.877 ( 1.519 0.000 8.102) 8.243 2.906 ( -1.462 0.000 -1.592) 2.161 2.956 ( -1.960 0.000 6.995) 7.264 3.154 ( 5.535 0.000 1.715) 5.795 3.176 ( 3.048 0.000 3.618) 4.731 3.329 ( -2.125 0.000 3.417) 4.024 3.388 ( -5.204 0.000 2.129) 5.622 3.422 ( -6.288 0.000 8.072) 10.232 3.531 ( -0.136 0.000 -0.659) 0.673 3.712 ( -2.741 0.000 -4.214) 5.027 3.719 ( 1.814 0.000 -0.108) 1.817 3.903 ( 1.954 0.000 -5.510) 5.847 3.978 ( 0.898 0.000 -6.011) 6.077 4.012 ( -5.844 0.000 -6.181) 8.506 4.037 ( -1.942 0.000 -7.904) 8.139 4.138 ( -1.029 0.000 -7.639) 7.708 4.641 ( 2.474 0.000 0.092) 2.475 4.697 ( -0.362 0.000 0.627) 0.724 4.824 ( -2.026 0.000 7.385) 7.658 4.996 ( 0.399 0.000 1.673) 1.720 5.064 ( -0.192 0.000 2.763) 2.769 5.219 ( -4.099 0.000 3.938) 5.684 5.300 ( 6.240 0.000 -9.925) 11.724 5.472 ( 0.913 0.000 -3.161) 3.290 5.620 ( 0.750 0.000 7.596) 7.633 5.940 ( 6.432 0.000 -1.536) 6.613 5.950 ( -1.395 0.000 6.198) 6.353 6.278 ( 1.957 0.000 -4.885) 5.262 7.730 ( 3.532 0.000 -0.298) 3.545 7.740 ( 5.919 0.000 -0.617) 5.951 7.843 ( 8.748 0.000 -2.709) 9.158 7.872 ( 3.672 0.000 2.475) 4.428 8.321 ( 1.718 0.000 -2.568) 3.089 8.413 ( -4.043 0.000 -0.226) 4.049 8.440 ( 0.324 0.000 2.378) 2.400 8.508 ( 4.268 0.000 0.316) 4.279 9.506 ( 15.573 0.000 -3.586) 15.981 9.570 ( 4.334 0.000 2.048) 4.793 9.711 ( 3.135 0.000 3.622) 4.791 9.742 ( 7.558 0.000 -3.103) 8.170 10.012 ( -11.279 0.000 3.631) 11.849 10.087 ( -3.671 0.000 -2.214) 4.287 10.165 ( -2.327 0.000 2.041) 3.095 10.240 ( -2.886 0.000 -3.144) 4.268 12.141 ( 18.717 0.000 -0.125) 18.718 12.197 ( 15.752 0.000 -0.356) 15.756 12.307 ( 14.454 0.000 0.162) 14.455 12.332 ( 14.267 0.000 -1.010) 14.302 12.445 ( -5.453 0.000 -1.597) 5.682 12.481 ( -1.817 0.000 1.268) 2.216 12.649 ( -7.983 0.000 -2.178) 8.275 12.684 ( -6.934 0.000 2.116) 7.249 13.472 ( -5.039 0.000 0.652) 5.081 13.518 ( -2.770 0.000 -0.602) 2.835 13.939 ( -10.406 0.000 1.724) 10.548 14.000 ( -6.905 0.000 -1.653) 7.100 14.228 ( -16.222 0.000 0.291) 16.225 14.278 ( -14.314 0.000 -0.551) 14.325 14.807 ( -5.309 0.000 1.816) 5.611 14.903 ( -4.444 0.000 -0.895) 4.533 15.850 ( 1.707 0.000 -2.559) 3.077 15.871 ( 1.126 0.000 -2.701) 2.927 15.950 ( 3.000 0.000 2.193) 3.716 15.987 ( 3.591 0.000 2.580) 4.422 16.415 ( -3.165 0.000 -1.201) 3.385 16.417 ( -1.062 0.000 0.912) 1.400 16.489 ( -4.612 0.000 1.306) 4.794 16.494 ( -7.682 0.000 -0.315) 7.689 21.325 ( 14.373 0.000 -0.776) 14.394 21.394 ( 6.398 0.000 1.244) 6.518 21.469 ( 5.185 0.000 1.321) 5.351 21.515 ( 14.101 0.000 -3.612) 14.556 22.316 ( -2.408 0.000 -1.140) 2.664 22.322 ( -2.091 0.000 1.146) 2.385 22.416 ( -9.941 0.000 1.013) 9.993 22.446 ( -9.129 0.000 -0.932) 9.176 27.695 ( 10.054 0.000 3.620) 10.686 27.821 ( 22.236 0.000 -1.724) 22.303 27.884 ( 9.809 0.000 1.353) 9.902 28.159 ( -8.395 0.000 -3.430) 9.069 29.141 ( -1.497 0.000 -0.423) 1.556 29.216 ( -4.241 0.000 -1.179) 4.402 29.306 ( -7.393 0.000 4.395) 8.601 29.668 ( -1.344 0.000 -6.085) 6.232 31.638 ( 12.380 0.000 2.487) 12.627 31.729 ( 4.823 0.000 1.094) 4.945 31.776 ( 11.402 0.000 -3.190) 11.840 31.890 ( 7.594 0.000 -1.546) 7.750 32.309 ( -11.762 0.000 -0.028) 11.762 32.335 ( -13.659 0.000 -1.932) 13.795 32.499 ( -4.343 0.000 1.495) 4.593 32.669 ( -10.387 0.000 2.544) 10.694 35.940 ( -0.253 0.000 4.889) 4.895 35.986 ( -0.587 0.000 6.497) 6.524 36.320 ( -1.422 0.000 -4.239) 4.471 36.405 ( 1.373 0.000 -4.552) 4.755 37.138 ( 0.330 0.000 -0.549) 0.641 37.173 ( -0.772 0.000 -0.306) 0.831 37.265 ( -1.387 0.000 4.571) 4.777 37.657 ( -5.842 0.000 -3.618) 6.872 ======================= Grid point 61 (25/84) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 2.348 0.000 -1.253) 2.661 1.870 ( -1.585 0.000 -4.775) 5.031 2.077 ( -8.103 0.000 6.197) 10.201 2.298 ( -7.930 0.000 -0.046) 7.930 2.392 ( 0.242 0.000 -2.601) 2.612 2.409 ( -5.070 0.000 2.608) 5.702 2.647 ( -8.838 0.000 0.816) 8.875 2.759 ( -3.468 0.000 0.332) 3.484 2.923 ( 2.303 0.000 7.008) 7.376 2.988 ( 3.890 0.000 -3.246) 5.066 2.995 ( 3.885 0.000 9.733) 10.479 3.188 ( -7.231 0.000 -4.358) 8.443 3.233 ( 2.768 0.000 6.214) 6.803 3.257 ( -2.334 0.000 9.718) 9.994 3.350 ( 1.657 0.000 5.317) 5.569 3.357 ( 1.988 0.000 1.910) 2.756 3.552 ( 1.551 0.000 -0.850) 1.768 3.673 ( -5.940 0.000 -1.472) 6.120 3.729 ( 4.598 0.000 -3.809) 5.970 3.916 ( -2.780 0.000 -8.147) 8.609 3.931 ( 1.090 0.000 -4.674) 4.799 4.034 ( 2.054 0.000 -7.867) 8.131 4.082 ( 9.208 0.000 -3.213) 9.752 4.135 ( 1.203 0.000 -8.639) 8.722 4.672 ( 0.834 0.000 1.244) 1.498 4.681 ( -1.454 0.000 -0.993) 1.760 4.813 ( 0.272 0.000 7.048) 7.053 5.023 ( 1.953 0.000 2.941) 3.531 5.073 ( 0.560 0.000 1.567) 1.664 5.127 ( -4.355 0.000 2.094) 4.832 5.392 ( 3.051 0.000 -8.075) 8.632 5.478 ( -0.430 0.000 -1.093) 1.175 5.607 ( -2.492 0.000 4.894) 5.491 5.899 ( -3.381 0.000 6.340) 7.185 6.008 ( -0.324 0.000 1.755) 1.784 6.248 ( -4.166 0.000 -6.440) 7.670 7.738 ( -2.729 0.000 -0.134) 2.732 7.754 ( -9.198 0.000 -0.208) 9.201 7.768 ( -7.189 0.000 -1.895) 7.435 7.911 ( -3.504 0.000 0.779) 3.590 8.352 ( -1.441 0.000 -2.690) 3.052 8.375 ( 3.199 0.000 -0.464) 3.233 8.451 ( -1.012 0.000 3.090) 3.251 8.519 ( -2.103 0.000 0.297) 2.124 9.492 ( -10.557 0.000 -1.969) 10.739 9.621 ( -10.423 0.000 -0.300) 10.427 9.660 ( -11.245 0.000 1.959) 11.415 9.814 ( 5.165 0.000 -0.108) 5.166 9.922 ( 8.231 0.000 1.209) 8.319 10.115 ( -3.566 0.000 -0.289) 3.578 10.131 ( 5.704 0.000 -0.015) 5.704 10.284 ( 6.755 0.000 -1.067) 6.839 12.168 ( -21.443 0.000 0.866) 21.460 12.190 ( -11.778 0.000 -0.776) 11.804 12.285 ( -12.595 0.000 -0.680) 12.613 12.321 ( -18.151 0.000 -1.076) 18.183 12.426 ( 3.695 0.000 -0.992) 3.826 12.530 ( 3.110 0.000 2.323) 3.882 12.583 ( 6.359 0.000 -2.751) 6.928 12.722 ( 8.552 0.000 1.088) 8.621 13.469 ( 4.958 0.000 0.507) 4.984 13.519 ( 2.765 0.000 -0.508) 2.811 13.908 ( 7.627 0.000 0.420) 7.638 14.026 ( 9.326 0.000 -0.424) 9.336 14.236 ( 16.771 0.000 0.567) 16.780 14.276 ( 14.227 0.000 -0.708) 14.244 14.804 ( 5.094 0.000 1.610) 5.342 14.912 ( 5.343 0.000 -0.557) 5.372 15.855 ( -0.054 0.000 -2.056) 2.056 15.865 ( -2.073 0.000 -2.875) 3.545 15.974 ( -2.703 0.000 2.838) 3.920 15.983 ( -3.557 0.000 1.984) 4.073 16.385 ( 1.579 0.000 -0.509) 1.659 16.446 ( 5.826 0.000 -0.086) 5.827 16.456 ( 1.518 0.000 0.393) 1.568 16.512 ( 6.645 0.000 0.559) 6.668 21.338 ( -10.956 0.000 -1.421) 11.048 21.355 ( -14.903 0.000 1.088) 14.942 21.445 ( -4.151 0.000 -0.440) 4.175 21.582 ( -8.827 0.000 -0.715) 8.856 22.285 ( 0.047 0.000 -0.441) 0.443 22.345 ( 3.942 0.000 0.208) 3.947 22.398 ( 9.725 0.000 0.318) 9.731 22.460 ( 9.166 0.000 -0.240) 9.169 27.660 ( -12.662 0.000 1.874) 12.800 27.839 ( -22.172 0.000 -0.588) 22.180 27.916 ( -7.798 0.000 2.837) 8.298 28.161 ( 10.919 0.000 -3.926) 11.603 29.202 ( 7.214 0.000 -1.475) 7.363 29.207 ( 3.275 0.000 -1.671) 3.677 29.241 ( 1.104 0.000 5.237) 5.353 29.689 ( 3.760 0.000 -5.275) 6.478 31.613 ( -12.463 0.000 1.221) 12.523 31.758 ( -5.234 0.000 2.060) 5.624 31.815 ( -11.762 0.000 -1.769) 11.894 31.882 ( -4.736 0.000 -1.849) 5.085 32.238 ( 6.896 0.000 -1.038) 6.974 32.305 ( 9.916 0.000 -2.543) 10.237 32.587 ( 11.380 0.000 4.018) 12.068 32.609 ( 5.915 0.000 0.080) 5.915 35.935 ( -0.478 0.000 4.746) 4.770 35.984 ( 0.056 0.000 6.101) 6.101 36.321 ( 1.697 0.000 -4.125) 4.461 36.424 ( 0.823 0.000 -3.842) 3.929 37.149 ( 0.689 0.000 -0.320) 0.759 37.167 ( 0.203 0.000 -0.575) 0.610 37.285 ( 3.253 0.000 5.764) 6.618 37.632 ( 3.660 0.000 -4.765) 6.009 ======================= Grid point 62 (26/84) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -16.339 0.000 -0.912) 16.365 1.858 ( 1.362 0.000 -3.019) 3.312 2.041 ( 3.555 0.000 3.063) 4.693 2.097 ( -13.936 0.000 4.677) 14.700 2.253 ( -10.040 0.000 5.095) 11.259 2.267 ( -10.611 0.000 1.854) 10.772 2.504 ( -2.062 0.000 -13.088) 13.250 2.634 ( -8.834 0.000 -2.149) 9.091 2.903 ( -3.830 0.000 7.476) 8.400 2.987 ( -8.916 0.000 -7.129) 11.415 3.033 ( -2.213 0.000 -3.005) 3.732 3.055 ( -1.479 0.000 8.774) 8.898 3.237 ( 0.053 0.000 7.403) 7.404 3.303 ( 3.590 0.000 6.269) 7.224 3.369 ( -4.365 0.000 2.874) 5.226 3.446 ( 4.485 0.000 6.316) 7.746 3.456 ( -8.484 0.000 -4.012) 9.385 3.619 ( 1.300 0.000 4.935) 5.103 3.833 ( 4.779 0.000 -7.467) 8.865 3.915 ( 3.385 0.000 -6.103) 6.980 3.962 ( 3.120 0.000 -3.295) 4.538 4.123 ( 7.491 0.000 -6.653) 10.019 4.181 ( 3.876 0.000 -6.308) 7.403 4.306 ( 11.710 0.000 -0.352) 11.716 4.633 ( -3.621 0.000 -3.184) 4.822 4.679 ( -0.230 0.000 3.531) 3.539 4.813 ( -0.673 0.000 7.260) 7.291 5.036 ( -3.330 0.000 -3.472) 4.811 5.066 ( 1.789 0.000 3.978) 4.362 5.118 ( 2.232 0.000 3.483) 4.137 5.392 ( -4.126 0.000 -3.244) 5.248 5.447 ( -2.000 0.000 -1.111) 2.288 5.523 ( -5.955 0.000 2.693) 6.536 5.829 ( -4.175 0.000 3.001) 5.142 5.910 ( -9.365 0.000 2.957) 9.821 6.114 ( -8.944 0.000 -6.277) 10.927 7.405 ( -18.497 0.000 -1.221) 18.537 7.577 ( -12.783 0.000 -0.575) 12.796 7.646 ( -10.754 0.000 -0.344) 10.760 7.744 ( -13.053 0.000 1.263) 13.114 8.273 ( -4.645 0.000 -2.526) 5.288 8.314 ( -5.020 0.000 1.815) 5.338 8.471 ( -0.165 0.000 -0.004) 0.165 8.518 ( 1.373 0.000 1.172) 1.805 9.213 ( -15.490 0.000 -3.044) 15.786 9.344 ( -16.016 0.000 -2.916) 16.279 9.346 ( -17.358 0.000 4.021) 17.818 9.635 ( -18.920 0.000 2.559) 19.092 10.175 ( 13.884 0.000 0.637) 13.899 10.267 ( 17.142 0.000 -1.120) 17.179 10.274 ( 9.111 0.000 -0.544) 9.128 10.485 ( 12.399 0.000 -0.123) 12.400 11.703 ( -20.975 0.000 1.044) 21.001 11.879 ( -19.906 0.000 -4.786) 20.473 11.941 ( -12.779 0.000 1.006) 12.818 11.964 ( -15.480 0.000 -0.427) 15.485 12.517 ( 3.672 0.000 0.404) 3.694 12.573 ( 0.873 0.000 0.998) 1.326 12.670 ( 2.312 0.000 -1.508) 2.761 12.787 ( -0.688 0.000 0.350) 0.772 13.605 ( 7.714 0.000 0.320) 7.720 13.616 ( 6.731 0.000 -0.247) 6.736 14.135 ( 11.125 0.000 -0.562) 11.139 14.256 ( 9.633 0.000 0.538) 9.648 14.668 ( 17.550 0.000 -0.271) 17.552 14.682 ( 20.188 0.000 -0.107) 20.188 14.950 ( 6.035 0.000 1.466) 6.210 15.070 ( 8.845 0.000 -0.227) 8.848 15.862 ( 5.656 0.000 -2.149) 6.050 15.933 ( 3.404 0.000 1.688) 3.800 15.940 ( 10.367 0.000 -1.330) 10.452 15.982 ( 6.973 0.000 0.970) 7.041 16.487 ( 6.442 0.000 0.791) 6.491 16.510 ( 2.672 0.000 -0.559) 2.730 16.576 ( 5.481 0.000 1.264) 5.625 16.667 ( 7.968 0.000 -0.700) 7.999 20.956 ( -22.747 0.000 0.051) 22.747 21.016 ( -19.322 0.000 -3.169) 19.581 21.203 ( -17.221 0.000 0.408) 17.226 21.268 ( -19.310 0.000 0.379) 19.314 22.366 ( 6.227 0.000 -0.558) 6.252 22.487 ( 7.989 0.000 -0.044) 7.989 22.626 ( 11.082 0.000 0.167) 11.083 22.668 ( 9.981 0.000 0.007) 9.981 27.253 ( -26.294 0.000 -0.135) 26.295 27.293 ( -30.902 0.000 0.369) 30.905 27.585 ( -24.118 0.000 6.012) 24.856 28.279 ( 1.618 0.000 -9.272) 9.412 29.290 ( 4.043 0.000 3.168) 5.136 29.304 ( 5.285 0.000 -1.709) 5.554 29.414 ( 10.829 0.000 -0.288) 10.832 29.799 ( 6.488 0.000 -4.790) 8.064 31.311 ( -15.699 0.000 1.217) 15.746 31.528 ( -14.342 0.000 -2.754) 14.604 31.581 ( -9.340 0.000 2.109) 9.575 31.745 ( -6.151 0.000 -1.597) 6.355 32.460 ( 12.295 0.000 1.450) 12.380 32.542 ( 11.993 0.000 -3.300) 12.438 32.834 ( 13.839 0.000 -1.428) 13.912 32.867 ( 14.638 0.000 3.763) 15.114 35.926 ( -0.710 0.000 5.242) 5.290 36.000 ( 1.172 0.000 7.462) 7.553 36.363 ( 1.782 0.000 -4.403) 4.750 36.451 ( 2.882 0.000 -2.235) 3.647 37.164 ( 0.823 0.000 -0.207) 0.848 37.184 ( 1.723 0.000 -1.156) 2.075 37.403 ( 7.951 0.000 8.255) 11.461 37.791 ( 12.085 0.000 -6.594) 13.767 ======================= Grid point 63 (27/84) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( -15.374 0.000 5.740) 16.410 1.623 ( -27.881 0.000 4.684) 28.272 1.899 ( 1.206 0.000 -6.134) 6.252 2.038 ( -9.139 0.000 6.147) 11.014 2.148 ( 4.180 0.000 2.873) 5.072 2.172 ( -0.876 0.000 2.648) 2.789 2.446 ( -8.678 0.000 -0.642) 8.702 2.470 ( -1.835 0.000 -19.814) 19.899 2.764 ( -14.063 0.000 -4.870) 14.883 2.780 ( -8.999 0.000 4.112) 9.894 2.860 ( -14.763 0.000 -3.820) 15.249 2.946 ( -8.751 0.000 8.068) 11.903 3.087 ( -14.546 0.000 -6.613) 15.978 3.288 ( -7.894 0.000 7.992) 11.233 3.323 ( 4.414 0.000 5.836) 7.317 3.377 ( -2.792 0.000 -0.375) 2.817 3.481 ( -2.066 0.000 6.007) 6.352 3.679 ( 4.682 0.000 6.366) 7.902 3.901 ( 2.356 0.000 -13.673) 13.875 4.015 ( 5.401 0.000 -2.028) 5.770 4.071 ( 7.185 0.000 0.558) 7.206 4.284 ( 6.146 0.000 -1.456) 6.316 4.323 ( 12.119 0.000 -5.342) 13.244 4.457 ( -0.660 0.000 2.387) 2.477 4.535 ( -4.475 0.000 -5.208) 6.867 4.706 ( 4.681 0.000 6.292) 7.843 4.813 ( 0.141 0.000 3.679) 3.682 4.938 ( -6.766 0.000 -2.200) 7.114 5.080 ( -2.932 0.000 6.135) 6.800 5.160 ( 0.862 0.000 2.092) 2.263 5.172 ( -14.858 0.000 2.688) 15.100 5.379 ( -6.660 0.000 0.978) 6.732 5.424 ( -1.647 0.000 -3.675) 4.028 5.681 ( -11.468 0.000 1.069) 11.518 5.717 ( -7.203 0.000 0.030) 7.203 5.864 ( -14.868 0.000 -3.848) 15.358 7.078 ( -12.774 0.000 -1.236) 12.834 7.299 ( -13.237 0.000 0.396) 13.243 7.339 ( -17.068 0.000 2.056) 17.192 7.413 ( -16.298 0.000 -0.959) 16.326 8.245 ( 1.251 0.000 -0.699) 1.433 8.267 ( 0.080 0.000 -0.061) 0.100 8.414 ( -4.807 0.000 -1.005) 4.911 8.505 ( -3.319 0.000 2.548) 4.185 8.911 ( -13.419 0.000 -2.785) 13.705 9.005 ( -15.906 0.000 3.714) 16.334 9.005 ( -16.491 0.000 -4.121) 16.998 9.233 ( -19.087 0.000 2.943) 19.313 10.506 ( 17.892 0.000 1.062) 17.924 10.507 ( 13.587 0.000 -1.270) 13.646 10.631 ( 17.750 0.000 -0.609) 17.761 10.760 ( 14.266 0.000 0.072) 14.266 11.385 ( -10.144 0.000 1.766) 10.297 11.543 ( -12.423 0.000 -6.061) 13.823 11.706 ( -9.909 0.000 -1.198) 9.981 11.729 ( -8.313 0.000 0.931) 8.365 12.550 ( -2.601 0.000 0.970) 2.776 12.551 ( -0.624 0.000 0.799) 1.014 12.708 ( 1.119 0.000 -1.432) 1.817 12.754 ( -1.878 0.000 -0.021) 1.879 13.773 ( 8.547 0.000 0.734) 8.579 13.786 ( 9.759 0.000 -0.706) 9.785 14.261 ( 0.258 0.000 -0.942) 0.977 14.317 ( -3.944 0.000 0.753) 4.015 14.804 ( -3.300 0.000 -0.151) 3.303 14.860 ( -2.123 0.000 -0.336) 2.150 14.979 ( -2.125 0.000 1.678) 2.708 15.274 ( 12.532 0.000 -0.741) 12.554 16.157 ( 19.667 0.000 -1.091) 19.698 16.196 ( 18.910 0.000 -0.253) 18.912 16.252 ( 16.751 0.000 -1.191) 16.793 16.282 ( 17.857 0.000 1.816) 17.949 16.552 ( 3.319 0.000 -1.981) 3.865 16.603 ( 5.497 0.000 1.618) 5.730 16.648 ( 2.976 0.000 1.202) 3.210 16.841 ( 10.638 0.000 -1.672) 10.769 20.504 ( -20.455 0.000 -0.713) 20.468 20.602 ( -20.338 0.000 -4.492) 20.828 20.831 ( -18.245 0.000 1.119) 18.280 20.864 ( -19.957 0.000 -0.464) 19.962 22.485 ( 5.037 0.000 -0.112) 5.039 22.624 ( 5.103 0.000 -0.319) 5.113 22.811 ( 7.013 0.000 -0.366) 7.022 22.837 ( 6.554 0.000 0.356) 6.563 26.630 ( -33.748 0.000 0.726) 33.756 26.645 ( -32.817 0.000 -1.101) 32.835 26.991 ( -34.133 0.000 7.862) 35.027 28.224 ( -6.486 0.000 -21.501) 22.458 29.377 ( 4.045 0.000 2.458) 4.734 29.396 ( 3.839 0.000 -1.522) 4.130 29.601 ( 7.167 0.000 -0.592) 7.191 29.901 ( 3.021 0.000 -4.533) 5.447 31.019 ( -12.800 0.000 1.646) 12.905 31.263 ( -11.321 0.000 -3.115) 11.742 31.439 ( -4.423 0.000 3.294) 5.514 31.704 ( 2.800 0.000 -4.042) 4.917 32.697 ( 10.721 0.000 3.458) 11.265 32.759 ( 9.444 0.000 -3.415) 10.042 33.110 ( 12.915 0.000 -1.842) 13.046 33.148 ( 12.503 0.000 2.966) 12.850 35.916 ( -0.463 0.000 6.271) 6.288 36.046 ( 3.053 0.000 10.881) 11.301 36.379 ( 0.473 0.000 -3.428) 3.460 36.540 ( 5.274 0.000 -1.730) 5.550 37.183 ( 1.105 0.000 -0.177) 1.119 37.236 ( 3.474 0.000 -2.006) 4.012 37.613 ( 12.310 0.000 12.834) 17.783 38.095 ( 17.885 0.000 -7.755) 19.494 ======================= Grid point 64 (28/84) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -31.402 0.000 4.788) 31.765 1.054 ( -12.794 0.000 18.079) 22.148 1.890 ( -6.039 0.000 3.285) 6.874 1.968 ( 5.590 0.000 -7.341) 9.227 2.130 ( -6.815 0.000 -8.274) 10.719 2.148 ( -14.738 0.000 6.362) 16.052 2.255 ( -9.894 0.000 0.853) 9.930 2.340 ( -11.116 0.000 -13.845) 17.755 2.412 ( -10.572 0.000 5.061) 11.721 2.491 ( -21.344 0.000 -0.615) 21.353 2.574 ( -8.178 0.000 -5.241) 9.713 2.769 ( -8.079 0.000 10.322) 13.108 2.881 ( -4.960 0.000 -13.085) 13.994 3.006 ( -17.743 0.000 7.746) 19.360 3.314 ( -3.351 0.000 -2.165) 3.989 3.327 ( -14.643 0.000 5.180) 15.533 3.386 ( -0.749 0.000 3.566) 3.644 3.817 ( 7.939 0.000 5.181) 9.480 3.896 ( -2.496 0.000 -16.826) 17.010 4.045 ( -6.657 0.000 -2.472) 7.101 4.206 ( 5.603 0.000 0.877) 5.671 4.305 ( -8.755 0.000 5.114) 10.139 4.312 ( -4.368 0.000 -2.390) 4.979 4.562 ( 7.013 0.000 -1.932) 7.275 4.572 ( 11.123 0.000 -5.244) 12.297 4.674 ( -13.851 0.000 2.744) 14.121 4.755 ( -4.724 0.000 7.342) 8.730 4.847 ( 0.115 0.000 -7.072) 7.073 4.883 ( -2.561 0.000 10.235) 10.550 5.158 ( 7.697 0.000 11.015) 13.438 5.161 ( 0.530 0.000 2.650) 2.703 5.257 ( -4.018 0.000 0.717) 4.081 5.391 ( -1.662 0.000 -3.173) 3.582 5.507 ( -5.293 0.000 -0.064) 5.293 5.554 ( -8.124 0.000 -1.136) 8.203 5.595 ( -9.680 0.000 -1.010) 9.733 6.891 ( -6.444 0.000 -1.321) 6.578 7.068 ( -9.175 0.000 1.642) 9.321 7.070 ( -8.269 0.000 2.131) 8.539 7.189 ( -5.979 0.000 -1.512) 6.168 8.271 ( 0.152 0.000 -0.035) 0.156 8.282 ( -0.274 0.000 0.010) 0.274 8.299 ( -5.337 0.000 -2.138) 5.749 8.405 ( -5.398 0.000 2.143) 5.808 8.669 ( -11.436 0.000 -3.269) 11.894 8.717 ( -10.085 0.000 -1.731) 10.233 8.733 ( -10.730 0.000 2.619) 11.044 8.903 ( -13.293 0.000 2.317) 13.493 10.780 ( 12.088 0.000 -1.177) 12.145 10.842 ( 13.199 0.000 0.158) 13.200 10.942 ( 11.834 0.000 0.371) 11.840 11.025 ( 10.740 0.000 -0.697) 10.763 11.311 ( 3.327 0.000 1.824) 3.794 11.382 ( -2.423 0.000 -6.577) 7.009 11.561 ( -4.329 0.000 -1.562) 4.602 11.620 ( -1.987 0.000 0.912) 2.187 12.497 ( -2.233 0.000 0.657) 2.327 12.510 ( -2.724 0.000 0.743) 2.824 12.693 ( -2.790 0.000 -1.372) 3.109 12.706 ( -3.363 0.000 0.010) 3.363 13.920 ( 4.590 0.000 1.164) 4.735 13.989 ( 9.631 0.000 -1.498) 9.747 14.152 ( -10.384 0.000 0.995) 10.432 14.168 ( -6.569 0.000 -1.051) 6.653 14.638 ( -11.385 0.000 -0.096) 11.385 14.721 ( -9.247 0.000 -0.345) 9.253 14.887 ( -8.142 0.000 1.616) 8.300 15.557 ( 13.864 0.000 -5.008) 14.741 16.355 ( -2.248 0.000 0.372) 2.279 16.375 ( -4.703 0.000 2.024) 5.120 16.403 ( -2.560 0.000 -0.795) 2.681 16.437 ( 2.342 0.000 -6.680) 7.079 16.797 ( 18.050 0.000 -1.462) 18.110 16.839 ( 17.084 0.000 0.836) 17.104 16.920 ( 22.229 0.000 -1.167) 22.260 17.149 ( 19.060 0.000 -1.183) 19.097 20.186 ( -10.220 0.000 -0.481) 10.231 20.223 ( -16.351 0.000 -7.053) 17.807 20.492 ( -15.994 0.000 -0.018) 15.994 20.507 ( -13.346 0.000 1.307) 13.410 22.562 ( 2.555 0.000 0.175) 2.561 22.683 ( 0.731 0.000 -0.334) 0.804 22.914 ( 3.609 0.000 -1.079) 3.767 22.931 ( 2.802 0.000 0.781) 2.908 25.976 ( -29.888 0.000 0.744) 29.897 25.980 ( -31.252 0.000 -1.023) 31.269 26.264 ( -36.786 0.000 6.646) 37.382 27.930 ( -23.899 0.000 -48.907) 54.434 29.449 ( 2.860 0.000 1.637) 3.296 29.457 ( 2.299 0.000 -1.087) 2.543 29.700 ( 2.931 0.000 -0.589) 2.989 29.907 ( -1.754 0.000 -4.473) 4.805 30.807 ( -8.216 0.000 2.184) 8.501 31.077 ( -6.839 0.000 -3.537) 7.699 31.405 ( 0.318 0.000 4.614) 4.624 31.835 ( 9.349 0.000 -6.342) 11.297 32.890 ( 8.069 0.000 5.057) 9.523 32.918 ( 6.738 0.000 -0.945) 6.804 33.337 ( 9.440 0.000 -1.954) 9.640 33.364 ( 8.606 0.000 1.816) 8.795 35.917 ( 0.113 0.000 7.774) 7.775 36.149 ( 6.869 0.000 16.010) 17.421 36.388 ( 0.627 0.000 -2.652) 2.725 36.638 ( 4.159 0.000 -1.142) 4.313 37.207 ( 1.244 0.000 -0.014) 1.244 37.317 ( 4.381 0.000 -2.959) 5.286 37.929 ( 18.788 0.000 21.656) 28.670 38.478 ( 19.563 0.000 -6.694) 20.677 ======================= Grid point 65 (29/84) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -14.818 0.000 15.522) 21.460 0.838 ( -9.912 0.000 30.840) 32.393 1.432 ( -41.177 0.000 18.840) 45.282 1.748 ( -21.260 0.000 -23.474) 31.671 1.751 ( -16.994 0.000 3.500) 17.351 2.099 ( 5.782 0.000 -6.643) 8.807 2.111 ( -8.058 0.000 3.917) 8.960 2.181 ( -4.619 0.000 -3.196) 5.617 2.199 ( -3.093 0.000 0.650) 3.161 2.339 ( -0.705 0.000 2.169) 2.281 2.458 ( -4.798 0.000 -2.528) 5.423 2.621 ( -8.503 0.000 4.498) 9.619 2.741 ( -4.962 0.000 5.588) 7.473 2.801 ( -4.217 0.000 -8.089) 9.122 2.931 ( -21.196 0.000 6.125) 22.064 3.175 ( -7.815 0.000 -4.947) 9.249 3.299 ( -11.180 0.000 -7.879) 13.677 3.695 ( -16.435 0.000 -2.729) 16.660 3.789 ( -6.050 0.000 -18.299) 19.273 3.975 ( 4.211 0.000 10.619) 11.424 4.200 ( -5.295 0.000 -8.575) 10.078 4.274 ( 3.166 0.000 6.968) 7.654 4.300 ( 3.608 0.000 2.849) 4.597 4.534 ( 0.060 0.000 3.553) 3.554 4.626 ( 1.470 0.000 4.054) 4.312 4.729 ( 5.191 0.000 0.152) 5.193 4.807 ( -4.394 0.000 4.101) 6.010 4.829 ( 6.482 0.000 -4.018) 7.627 4.862 ( 1.804 0.000 -4.632) 4.971 5.181 ( -1.333 0.000 -1.775) 2.219 5.201 ( 2.037 0.000 0.183) 2.045 5.310 ( -5.883 0.000 -2.492) 6.390 5.410 ( -2.689 0.000 -0.733) 2.787 5.453 ( -5.576 0.000 -0.667) 5.616 5.504 ( 5.255 0.000 7.075) 8.813 5.616 ( 34.482 0.000 28.882) 44.980 6.783 ( -4.570 0.000 -1.591) 4.839 6.936 ( -4.650 0.000 1.653) 4.935 7.001 ( -0.042 0.000 0.449) 0.451 7.117 ( -2.099 0.000 -1.039) 2.342 8.153 ( -6.520 0.000 -0.719) 6.560 8.223 ( -3.793 0.000 0.016) 3.793 8.299 ( 0.525 0.000 0.267) 0.589 8.338 ( -1.443 0.000 -0.765) 1.633 8.488 ( -5.062 0.000 -1.431) 5.260 8.580 ( -4.346 0.000 0.178) 4.350 8.581 ( -4.571 0.000 1.453) 4.796 8.702 ( -7.522 0.000 -0.247) 7.526 10.956 ( -1.301 0.000 -3.300) 3.547 10.959 ( 6.262 0.000 -1.179) 6.372 11.080 ( 2.382 0.000 1.087) 2.618 11.165 ( 2.943 0.000 -1.428) 3.271 11.457 ( 7.767 0.000 -4.286) 8.871 11.465 ( 7.446 0.000 1.650) 7.626 11.544 ( 3.716 0.000 -0.983) 3.844 11.649 ( 3.280 0.000 0.905) 3.403 12.465 ( -1.390 0.000 0.850) 1.630 12.473 ( 0.059 0.000 0.002) 0.059 12.601 ( -5.409 0.000 -1.186) 5.538 12.612 ( -5.506 0.000 -0.248) 5.511 13.885 ( -5.446 0.000 -0.298) 5.455 13.928 ( -8.883 0.000 0.443) 8.894 14.148 ( 3.911 0.000 -0.415) 3.933 14.191 ( 8.831 0.000 -0.857) 8.873 14.388 ( -11.608 0.000 -0.088) 11.608 14.533 ( -8.943 0.000 -0.602) 8.963 14.641 ( -14.779 0.000 0.474) 14.787 15.613 ( -24.193 0.000 -37.290) 44.451 16.205 ( -6.876 0.000 1.107) 6.964 16.275 ( -9.853 0.000 -6.001) 11.536 16.311 ( -7.417 0.000 -3.278) 8.110 16.334 ( -1.080 0.000 -0.416) 1.157 17.113 ( 11.519 0.000 -0.386) 11.526 17.134 ( 10.508 0.000 0.220) 10.510 17.321 ( 15.392 0.000 -0.429) 15.398 17.485 ( 11.307 0.000 -2.536) 11.588 19.977 ( -4.659 0.000 -3.062) 5.576 20.080 ( -1.495 0.000 0.534) 1.587 20.251 ( -7.583 0.000 2.348) 7.939 20.304 ( -6.787 0.000 0.897) 6.846 22.595 ( 0.978 0.000 0.155) 0.990 22.665 ( -1.828 0.000 -0.101) 1.830 22.958 ( 0.120 0.000 0.909) 0.917 22.971 ( 2.273 0.000 -1.326) 2.632 25.457 ( -18.696 0.000 -0.243) 18.697 25.478 ( -18.176 0.000 0.376) 18.180 25.599 ( -26.705 0.000 2.326) 26.807 26.933 ( -80.196 0.000 -84.114) 116.218 29.491 ( 1.166 0.000 -0.559) 1.293 29.491 ( 1.202 0.000 0.810) 1.450 29.735 ( 1.023 0.000 -0.120) 1.030 29.847 ( -3.308 0.000 -2.613) 4.215 30.689 ( -3.726 0.000 2.641) 4.567 30.979 ( -2.851 0.000 -3.882) 4.816 31.431 ( 1.297 0.000 5.441) 5.593 32.029 ( 9.214 0.000 -8.238) 12.360 33.022 ( 4.486 0.000 6.009) 7.499 33.062 ( 9.027 0.000 6.559) 11.158 33.481 ( 4.854 0.000 -1.955) 5.233 33.492 ( 3.897 0.000 0.435) 3.921 35.928 ( 0.399 0.000 9.192) 9.201 36.366 ( 13.787 0.000 16.193) 21.267 36.398 ( 0.482 0.000 -2.353) 2.402 36.699 ( 1.811 0.000 -0.715) 1.947 37.232 ( 1.156 0.000 0.509) 1.263 37.396 ( 3.245 0.000 -3.600) 4.847 38.476 ( 36.494 0.000 31.617) 48.285 38.830 ( 14.242 0.000 -3.167) 14.590 ======================= Grid point 66 (30/84) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -26.460 18.770 14.560) 35.559 0.726 ( 5.449 17.560 19.768) 26.997 1.223 ( 3.725 27.641 26.522) 38.488 1.430 ( -3.418 -4.896 6.647) 8.935 1.663 ( 11.437 5.183 -14.628) 19.278 2.018 ( -0.881 -8.765 0.372) 8.817 2.091 ( 1.115 -2.413 -9.025) 9.408 2.106 ( -2.110 -2.217 -2.464) 3.929 2.184 ( 1.533 -0.621 -4.444) 4.742 2.264 ( 5.917 -1.384 -3.904) 7.222 2.455 ( -1.674 0.960 2.944) 3.521 2.596 ( -6.212 2.740 7.090) 9.816 2.636 ( 0.766 1.236 0.924) 1.723 2.673 ( 1.338 -3.946 -2.196) 4.710 2.826 ( 2.830 4.371 4.379) 6.803 2.965 ( -0.353 0.550 -3.531) 3.591 3.077 ( 0.223 -1.776 -5.801) 6.071 3.626 ( 2.949 1.015 9.891) 10.371 3.761 ( -0.386 3.190 -12.067) 12.487 3.886 ( -1.373 -16.541 2.880) 16.846 4.120 ( -2.168 7.372 3.157) 8.308 4.207 ( -2.999 -0.746 0.094) 3.092 4.423 ( -0.487 -0.157 5.091) 5.116 4.538 ( 1.131 -1.178 -2.304) 2.824 4.662 ( 1.650 -0.368 2.549) 3.058 4.753 ( -1.662 1.352 1.706) 2.739 4.859 ( -0.456 -1.315 1.573) 2.100 4.882 ( 3.993 1.740 -2.670) 5.109 4.969 ( 1.410 2.725 -1.733) 3.524 5.169 ( 2.382 -2.819 0.394) 3.712 5.208 ( -3.852 3.305 -2.300) 5.572 5.253 ( -1.835 1.594 -3.569) 4.318 5.293 ( -1.309 -2.809 1.220) 3.331 5.380 ( -0.461 -0.689 -1.680) 1.874 5.538 ( 2.067 -10.747 13.237) 17.175 5.858 ( -3.257 -25.328 14.189) 29.214 6.757 ( 0.795 2.080 0.437) 2.269 6.946 ( 0.864 -5.304 2.577) 5.959 7.072 ( -3.600 7.966 -10.778) 13.878 7.177 ( 5.194 3.766 -4.149) 7.640 8.089 ( 1.302 0.634 0.279) 1.475 8.119 ( -1.104 -2.586 -0.407) 2.841 8.358 ( 2.361 -7.229 0.097) 7.606 8.366 ( -1.999 -5.392 -0.126) 5.752 8.396 ( -0.185 5.355 0.177) 5.361 8.422 ( 1.015 3.925 -0.797) 4.132 8.582 ( -0.282 1.193 0.539) 1.339 8.616 ( -0.381 1.179 -0.484) 1.330 10.924 ( 2.975 0.089 1.323) 3.257 11.039 ( -1.342 -2.190 -1.065) 2.781 11.079 ( 1.128 0.522 -0.026) 1.243 11.176 ( 1.527 -0.205 -2.788) 3.185 11.526 ( -1.285 0.384 -0.638) 1.485 11.577 ( 2.553 -0.657 -2.201) 3.434 11.668 ( -3.006 1.137 1.693) 3.632 11.692 ( 2.555 1.883 -0.411) 3.200 12.472 ( 0.120 0.608 0.433) 0.756 12.492 ( 0.667 -0.165 0.540) 0.874 12.547 ( -0.918 1.206 -1.106) 1.876 12.558 ( -0.012 1.499 -0.743) 1.673 13.878 ( -2.061 5.338 0.669) 5.761 14.020 ( 19.856 5.918 -5.692) 21.487 14.170 ( -24.718 2.464 -1.534) 24.888 14.225 ( -5.096 2.279 -1.465) 5.772 14.336 ( 0.705 -0.984 -0.678) 1.388 14.351 ( 2.508 -1.019 -0.387) 2.735 14.390 ( -5.122 1.683 -1.109) 5.504 14.397 ( -0.765 1.515 -0.887) 1.915 16.147 ( 0.325 1.251 0.686) 1.463 16.195 ( -0.153 0.660 -0.606) 0.909 16.246 ( 0.239 -1.344 1.053) 1.724 16.325 ( -0.365 -1.067 -1.109) 1.581 17.273 ( -0.083 3.408 0.090) 3.410 17.376 ( -1.224 7.155 -6.791) 9.940 17.501 ( 2.184 0.757 0.455) 2.356 17.566 ( -1.735 -0.274 -0.730) 1.902 20.025 ( 3.152 -5.115 1.616) 6.222 20.042 ( 1.782 -4.064 0.256) 4.445 20.180 ( 0.856 -0.694 2.677) 2.895 20.223 ( 0.145 -0.865 0.233) 0.907 22.678 ( -0.536 4.181 0.124) 4.217 22.819 ( 1.187 11.092 -9.523) 14.667 22.926 ( -0.539 -2.377 0.548) 2.498 23.002 ( 0.697 -0.397 -1.287) 1.517 25.278 ( 3.774 -0.047 -0.322) 3.788 25.284 ( 2.086 -0.117 -0.357) 2.120 25.293 ( -5.391 0.112 0.099) 5.393 25.296 ( -4.553 0.152 -0.038) 4.555 29.548 ( 0.544 4.119 0.261) 4.163 29.663 ( -0.924 6.810 -5.486) 8.793 29.742 ( 0.906 -1.175 0.622) 1.609 29.791 ( -0.876 -1.019 -0.497) 1.433 30.982 ( -0.350 6.056 -4.820) 7.748 31.176 ( -1.308 27.606 -26.318) 38.163 31.450 ( -1.091 6.269 -1.112) 6.460 32.113 ( 0.899 -3.396 -13.166) 13.627 33.082 ( 0.822 0.919 6.462) 6.579 33.272 ( 11.427 -5.601 4.764) 13.589 33.527 ( -0.945 0.687 -1.063) 1.579 33.534 ( -0.241 0.484 -1.787) 1.866 35.951 ( 0.037 1.334 10.233) 10.320 36.292 ( 0.928 -14.973 11.989) 19.203 36.453 ( 0.515 -1.265 2.615) 2.950 36.656 ( -0.480 -5.565 -1.494) 5.782 37.349 ( 0.022 10.077 1.251) 10.155 37.618 ( 0.388 10.685 -6.821) 12.683 38.704 ( -8.681 -19.464 13.330) 25.138 38.909 ( 1.327 -9.164 -0.763) 9.291 ======================= Grid point 67 (31/84) ======================= q-point: ( 0.09 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 29.302 16.956 -1.555) 33.890 0.931 ( 15.299 8.265 18.975) 25.737 1.385 ( 12.735 17.968 11.448) 24.821 1.658 ( 20.966 0.962 6.497) 21.971 1.912 ( 1.367 -8.367 -6.030) 10.404 2.046 ( 5.549 2.098 -7.458) 9.530 2.081 ( 2.964 -2.123 -1.063) 3.798 2.181 ( 7.712 1.477 -4.887) 9.249 2.309 ( 1.070 -0.422 -3.870) 4.038 2.354 ( 8.018 0.608 -5.003) 9.471 2.525 ( 10.120 0.120 2.300) 10.379 2.599 ( 6.327 5.340 7.256) 11.009 2.738 ( 8.978 -4.195 3.698) 10.578 2.876 ( 19.920 -3.245 2.546) 20.343 2.927 ( 6.756 0.133 3.879) 7.792 3.173 ( 13.362 -2.239 -3.540) 14.003 3.291 ( 16.122 -1.802 -8.105) 18.134 3.721 ( -1.233 0.598 -11.546) 11.627 3.758 ( 8.054 -8.837 7.902) 14.331 3.862 ( 0.742 -6.443 -1.049) 6.570 4.061 ( -3.610 6.835 4.208) 8.801 4.121 ( -4.406 -0.434 -1.514) 4.679 4.423 ( 1.985 -0.550 2.868) 3.531 4.524 ( -2.331 -2.704 -2.165) 4.175 4.692 ( 0.975 1.930 1.984) 2.934 4.736 ( -1.586 1.942 1.215) 2.786 4.828 ( -2.694 -2.601 3.094) 4.858 4.883 ( -7.067 3.183 -0.317) 7.757 4.985 ( 3.053 -0.546 2.235) 3.823 5.117 ( -5.758 -0.289 -1.074) 5.864 5.151 ( -1.202 3.943 1.507) 4.389 5.242 ( 0.113 2.592 -0.696) 2.686 5.321 ( 1.533 -5.871 0.938) 6.140 5.372 ( 0.077 -4.069 2.860) 4.974 5.517 ( 0.052 -5.075 5.202) 7.268 5.622 ( -7.480 -2.067 5.954) 9.781 6.805 ( 4.358 1.243 0.482) 4.557 6.926 ( -3.352 7.362 -3.147) 8.679 6.981 ( 2.437 -4.732 2.233) 5.772 7.194 ( -1.849 2.299 -2.319) 3.753 8.142 ( 3.852 -2.917 -0.897) 4.915 8.221 ( 8.293 1.505 0.889) 8.476 8.319 ( -0.293 -1.280 -0.967) 1.631 8.362 ( 0.285 0.825 0.332) 0.934 8.474 ( 6.734 0.029 -0.996) 6.808 8.602 ( 7.631 1.745 0.982) 7.889 8.638 ( 5.874 1.035 0.640) 5.999 8.651 ( 5.626 -0.649 -1.776) 5.936 10.962 ( -2.665 -1.031 -0.067) 2.859 11.016 ( -2.016 0.194 -1.171) 2.339 11.059 ( -2.434 -0.443 0.023) 2.474 11.170 ( -3.725 -0.693 -1.449) 4.056 11.406 ( -9.249 1.087 -1.257) 9.397 11.539 ( -5.428 -2.077 -1.512) 6.005 11.575 ( -5.939 -1.419 -1.304) 6.244 11.606 ( -4.057 -0.380 1.341) 4.290 12.485 ( 1.249 2.378 -0.259) 2.698 12.515 ( 1.162 1.526 1.134) 2.228 12.617 ( 5.010 0.466 -0.289) 5.040 12.633 ( 5.563 0.194 -0.770) 5.619 13.892 ( 5.194 0.623 -0.861) 5.302 13.975 ( 4.113 3.721 1.462) 5.736 14.117 ( -5.171 -4.420 -1.128) 6.895 14.178 ( -5.837 -2.777 -0.070) 6.465 14.448 ( 12.560 2.552 1.757) 12.937 14.519 ( 10.246 1.330 -1.594) 10.454 14.646 ( 15.872 0.735 0.612) 15.900 14.920 ( 33.131 -13.286 -20.978) 41.404 16.208 ( 5.031 1.286 0.338) 5.204 16.262 ( 6.259 -1.629 -1.390) 6.615 16.287 ( 4.648 -1.381 0.576) 4.883 16.327 ( 1.769 -1.033 -1.125) 2.337 17.153 ( -11.744 3.445 -0.131) 12.239 17.210 ( -13.524 5.217 -2.744) 14.753 17.377 ( -14.193 -0.234 1.078) 14.236 17.405 ( -13.583 0.214 -2.065) 13.741 20.020 ( 1.515 -1.343 -1.798) 2.708 20.079 ( 1.922 -2.791 -0.797) 3.481 20.269 ( 6.873 -1.784 0.991) 7.170 20.327 ( 8.933 -3.345 1.299) 9.627 22.681 ( 0.285 3.973 -0.666) 4.038 22.745 ( -4.135 9.647 -2.038) 10.692 22.914 ( -0.732 -2.026 -0.196) 2.163 22.993 ( -1.542 -0.986 -0.372) 1.867 25.462 ( 18.137 0.057 0.157) 18.137 25.523 ( 23.568 0.419 3.143) 23.781 25.557 ( 23.522 1.482 -1.379) 23.609 26.230 ( 66.008 -29.674 -30.753) 78.634 29.549 ( -0.499 4.017 0.719) 4.111 29.612 ( -3.538 7.432 -4.362) 9.316 29.757 ( 0.321 -1.222 1.170) 1.722 29.795 ( 0.945 -1.613 -2.327) 2.985 30.987 ( 1.026 8.706 -6.461) 10.890 31.102 ( -2.819 22.865 -14.335) 27.134 31.398 ( -3.240 1.208 2.971) 4.559 32.027 ( -7.707 -4.256 -10.785) 13.923 33.061 ( -3.179 2.166 6.458) 7.517 33.396 ( -1.029 -7.014 -0.822) 7.137 33.457 ( -5.619 0.556 -2.683) 6.251 33.481 ( -4.763 -1.569 0.286) 5.023 35.952 ( -0.482 1.251 10.066) 10.155 36.247 ( -5.793 -12.771 15.774) 21.106 36.431 ( -2.154 0.697 1.148) 2.538 36.624 ( -2.495 -4.836 -2.089) 5.829 37.305 ( -3.953 8.424 1.586) 9.439 37.576 ( -3.972 8.759 -6.364) 11.533 38.161 ( -30.710 5.599 20.372) 37.276 38.801 ( -11.432 -9.265 -0.615) 14.728 ======================= Grid point 68 (32/84) ======================= q-point: ( 0.18 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 16.884 5.005 13.661) 22.288 1.380 ( 19.326 5.740 10.100) 22.549 1.728 ( 18.023 4.112 -10.528) 21.274 1.809 ( -2.342 -6.043 -3.649) 7.438 2.023 ( -1.056 1.500 -3.628) 4.066 2.176 ( -1.448 -0.936 -0.780) 1.892 2.228 ( 22.633 -1.695 0.798) 22.710 2.292 ( 6.927 -0.960 -2.109) 7.304 2.417 ( 11.782 11.904 -2.382) 16.917 2.500 ( 8.358 0.549 -6.662) 10.702 2.746 ( 6.883 -4.359 -2.796) 8.614 2.779 ( 14.955 -1.236 8.671) 17.332 2.931 ( 5.563 -1.983 0.086) 5.906 3.155 ( 11.910 2.460 3.835) 12.752 3.276 ( 15.403 -3.474 5.208) 16.627 3.403 ( 7.951 0.737 4.159) 9.003 3.539 ( 6.644 -3.440 5.464) 9.264 3.638 ( -1.174 -8.345 -10.491) 13.457 3.851 ( -2.232 -2.576 4.067) 5.306 3.971 ( -3.604 6.327 -1.994) 7.549 4.052 ( 10.757 -6.768 -3.037) 13.066 4.111 ( 4.860 4.821 -4.020) 7.938 4.450 ( -5.723 -5.722 -1.982) 8.332 4.539 ( -1.996 -3.617 -0.682) 4.187 4.627 ( 4.385 4.807 1.777) 6.744 4.699 ( -3.016 4.008 1.498) 5.234 4.752 ( -0.713 6.248 -0.121) 6.290 4.817 ( 1.559 -0.015 5.026) 5.263 5.004 ( 1.573 -2.847 2.014) 3.826 5.084 ( -0.203 -1.291 4.450) 4.637 5.158 ( 0.706 2.981 1.852) 3.579 5.243 ( 2.895 -6.663 -5.227) 8.949 5.347 ( 5.046 1.188 4.930) 7.154 5.514 ( 7.233 -1.183 -1.377) 7.457 5.570 ( 3.827 2.001 0.238) 4.324 5.616 ( 8.324 0.738 -1.563) 8.501 6.949 ( 10.004 1.002 1.973) 10.246 6.974 ( 8.010 2.879 -3.153) 9.077 7.066 ( 6.487 -2.352 1.774) 7.125 7.201 ( 4.097 -0.913 -0.660) 4.249 8.225 ( 2.785 -2.680 -0.196) 3.870 8.288 ( 2.283 -2.169 -1.394) 3.444 8.345 ( -1.386 1.841 -0.036) 2.305 8.416 ( 5.032 0.357 2.028) 5.437 8.645 ( 10.370 1.780 -1.858) 10.684 8.752 ( 10.049 -0.177 0.399) 10.059 8.811 ( 12.124 2.444 -1.859) 12.507 8.880 ( 14.332 1.312 2.725) 14.648 10.810 ( -13.521 0.718 0.032) 13.540 10.858 ( -12.462 2.492 -0.381) 12.714 10.939 ( -10.435 -2.003 1.123) 10.685 11.001 ( -12.899 -1.242 -1.343) 13.029 11.267 ( -1.168 2.510 -1.378) 3.093 11.485 ( 1.466 -0.769 -3.681) 4.036 11.525 ( 3.621 -2.477 0.362) 4.402 11.615 ( 3.827 -0.860 0.152) 3.926 12.517 ( 1.796 1.596 0.062) 2.403 12.542 ( 1.499 2.194 1.378) 2.993 12.691 ( 2.310 -0.554 -0.570) 2.443 12.720 ( 2.438 -0.980 -0.176) 2.634 13.925 ( -4.202 1.122 -0.217) 4.355 14.040 ( -7.688 1.866 0.699) 7.942 14.113 ( 8.646 -1.802 -1.316) 8.929 14.169 ( 8.170 -2.264 0.696) 8.506 14.667 ( 9.357 1.033 0.465) 9.426 14.726 ( 9.346 3.025 -0.655) 9.845 14.896 ( 7.103 -3.517 3.841) 8.808 15.197 ( 0.141 -11.432 -10.402) 15.457 16.301 ( 2.045 1.103 -1.295) 2.660 16.349 ( 2.011 -0.848 -0.472) 2.233 16.367 ( 1.956 -0.661 -0.507) 2.126 16.455 ( 3.944 -5.400 0.372) 6.697 16.813 ( -20.374 2.522 -0.856) 20.548 16.874 ( -17.956 2.445 -0.484) 18.128 17.001 ( -20.327 -1.025 0.209) 20.354 17.052 ( -19.161 0.261 -1.021) 19.190 20.149 ( 12.157 0.356 -2.244) 12.367 20.221 ( 12.985 -0.833 -3.379) 13.444 20.475 ( 13.574 -0.796 0.384) 13.602 20.557 ( 13.686 -2.575 0.627) 13.941 22.652 ( -3.229 4.924 0.204) 5.892 22.691 ( -2.123 4.680 -0.942) 5.224 22.886 ( -2.422 -1.967 -0.488) 3.158 22.936 ( -4.235 -1.774 0.327) 4.603 25.966 ( 30.351 1.252 0.715) 30.385 26.128 ( 33.217 8.082 -0.648) 34.192 26.176 ( 35.945 -3.299 5.539) 36.519 27.284 ( 38.850 -32.137 -30.571) 58.964 29.515 ( -4.374 5.747 -0.694) 7.255 29.531 ( -2.906 5.419 -1.157) 6.257 29.745 ( -2.039 -1.557 1.863) 3.171 29.809 ( 0.240 -2.644 -4.381) 5.122 31.015 ( 3.016 14.130 -5.318) 15.395 31.115 ( 4.712 7.403 -4.041) 9.661 31.352 ( -0.867 -0.636 3.002) 3.189 31.837 ( -9.315 -4.517 -6.934) 12.461 32.965 ( -6.539 2.908 6.430) 9.620 33.258 ( -10.637 -1.040 -2.543) 10.986 33.291 ( -11.095 0.276 -3.139) 11.534 33.349 ( -8.530 -5.573 4.215) 11.026 35.947 ( -0.499 1.006 8.904) 8.975 36.124 ( -6.153 -5.673 16.581) 18.573 36.394 ( -1.379 1.657 -2.287) 3.143 36.557 ( -3.932 -3.594 -2.990) 6.108 37.224 ( -3.619 4.970 1.357) 6.297 37.468 ( -5.972 6.314 -4.581) 9.825 37.720 ( -15.334 9.099 11.314) 21.117 38.491 ( -17.876 -8.401 -2.032) 19.856 ======================= Grid point 69 (33/84) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 16.587 1.379 9.248) 19.041 1.724 ( 11.303 -1.420 2.855) 11.744 1.796 ( 6.374 -4.630 0.735) 7.912 1.974 ( 0.996 3.269 -4.144) 5.372 2.086 ( 12.700 3.539 -3.203) 13.567 2.162 ( 3.010 2.715 0.553) 4.090 2.406 ( 4.984 -3.779 -6.169) 8.785 2.484 ( 7.518 -3.037 -4.128) 9.099 2.634 ( 6.763 0.881 -6.137) 9.174 2.771 ( 12.616 6.362 3.397) 14.532 2.898 ( 7.889 -3.676 1.184) 8.784 3.043 ( 8.298 -0.711 5.243) 9.841 3.074 ( 9.163 -2.133 -2.089) 9.637 3.258 ( -0.785 -2.184 4.820) 5.350 3.441 ( 5.601 1.234 0.200) 5.739 3.476 ( -2.405 -6.299 6.612) 9.443 3.587 ( 2.876 -2.772 10.687) 11.409 3.704 ( 1.183 -1.972 -5.072) 5.569 3.762 ( -4.977 -1.330 0.254) 5.158 3.934 ( 0.121 5.960 -2.131) 6.330 4.098 ( -2.458 1.912 -1.299) 3.374 4.214 ( -1.435 -0.050 -7.070) 7.214 4.287 ( -7.561 -4.905 -1.930) 9.216 4.344 ( -9.230 -1.109 -0.418) 9.306 4.597 ( -2.618 7.413 -2.709) 8.316 4.799 ( 3.112 -1.167 6.670) 7.453 4.820 ( 0.909 2.874 1.636) 3.429 4.940 ( 10.077 2.803 -3.704) 11.096 5.049 ( -0.960 -0.550 2.474) 2.710 5.125 ( 5.816 -2.330 0.847) 6.323 5.188 ( 2.688 1.469 3.481) 4.637 5.341 ( 5.078 -4.252 -3.472) 7.478 5.491 ( 7.347 2.731 4.565) 9.070 5.608 ( 6.370 1.172 -2.223) 6.847 5.752 ( 10.099 1.602 -0.615) 10.243 5.875 ( 15.291 -1.226 -2.795) 15.592 7.186 ( 13.526 0.596 1.980) 13.683 7.237 ( 15.488 1.771 -2.114) 15.732 7.293 ( 17.655 -0.879 0.623) 17.688 7.386 ( 13.506 -3.283 -0.392) 13.905 8.241 ( -0.085 -0.802 -0.355) 0.882 8.312 ( -0.369 2.567 -0.018) 2.593 8.365 ( 3.835 -4.146 -0.836) 5.710 8.489 ( 2.356 -1.174 1.900) 3.247 8.898 ( 14.724 3.242 -2.199) 15.236 9.025 ( 16.197 -0.183 1.288) 16.249 9.097 ( 16.169 2.433 -3.188) 16.658 9.200 ( 16.389 0.169 3.856) 16.838 10.488 ( -16.363 1.791 0.059) 16.461 10.558 ( -15.823 1.845 -0.231) 15.932 10.665 ( -15.496 -2.282 1.662) 15.751 10.698 ( -15.754 -1.281 -1.977) 15.929 11.376 ( 11.279 3.324 -0.293) 11.762 11.592 ( 8.973 -0.595 -3.898) 9.801 11.688 ( 11.696 -1.658 0.544) 11.825 11.749 ( 9.317 -0.562 0.054) 9.334 12.555 ( 1.393 0.750 0.075) 1.584 12.568 ( 0.725 1.007 1.517) 1.960 12.717 ( 0.668 -1.257 -0.829) 1.648 12.734 ( -0.575 -1.534 -0.125) 1.643 13.805 ( -6.996 4.971 -0.971) 8.637 13.863 ( -9.334 5.820 1.205) 11.065 14.238 ( 1.697 -4.726 -1.979) 5.397 14.277 ( 0.154 -4.372 2.000) 4.811 14.813 ( 3.236 0.466 0.031) 3.270 14.852 ( 1.392 1.779 -0.750) 2.380 14.964 ( 1.099 -3.291 2.385) 4.210 15.114 ( -5.370 -5.553 -3.304) 8.402 16.165 ( -20.776 0.816 -1.256) 20.830 16.195 ( -13.945 0.454 -1.483) 14.031 16.210 ( -16.990 0.010 0.924) 17.015 16.291 ( -17.402 -1.324 1.012) 17.482 16.547 ( -4.243 1.733 -1.000) 4.691 16.630 ( -5.549 0.675 0.613) 5.623 16.678 ( -8.357 -1.250 2.414) 8.788 16.791 ( -6.760 -3.303 -1.811) 7.739 20.498 ( 21.405 0.963 -1.349) 21.469 20.585 ( 22.149 -0.863 -3.567) 22.451 20.808 ( 18.786 -0.482 0.444) 18.797 20.868 ( 16.684 -1.367 0.121) 16.741 22.566 ( -5.411 3.435 0.846) 6.464 22.614 ( -5.662 3.518 -1.421) 6.816 22.799 ( -6.481 -2.408 -0.348) 6.923 22.820 ( -7.295 -1.773 0.528) 7.526 26.628 ( 33.720 1.925 1.076) 33.792 26.802 ( 32.468 9.949 -1.697) 34.000 26.909 ( 34.211 -4.338 7.657) 35.325 27.837 ( 19.449 -20.626 -18.529) 33.868 29.397 ( -6.610 5.908 -0.878) 8.909 29.465 ( -4.300 2.961 0.241) 5.226 29.661 ( -6.602 -1.440 2.477) 7.197 29.783 ( -2.787 -3.733 -5.784) 7.427 31.137 ( 9.326 8.885 -0.928) 12.915 31.266 ( 10.197 2.617 -3.316) 11.037 31.392 ( 5.130 -0.196 1.930) 5.484 31.695 ( -3.383 -3.625 -3.556) 6.102 32.808 ( -9.355 3.016 6.571) 11.824 32.999 ( -14.549 -0.399 -2.816) 14.825 33.017 ( -15.208 0.486 -2.662) 15.447 33.146 ( -11.571 -4.403 3.779) 12.944 35.944 ( -0.223 0.731 7.267) 7.307 36.037 ( -3.337 -2.003 11.895) 12.515 36.374 ( -0.319 0.893 -3.836) 3.951 36.467 ( -4.503 -1.928 -3.711) 6.145 37.166 ( -2.244 2.149 0.706) 3.187 37.347 ( -5.471 3.650 -2.413) 7.006 37.489 ( -8.819 6.684 5.387) 12.307 38.124 ( -17.411 -6.770 -2.999) 18.920 ======================= Grid point 70 (34/84) ======================= q-point: ( 0.36 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 3.568 -0.719 -2.864) 4.632 1.836 ( 5.234 0.970 -0.342) 5.334 2.020 ( 7.876 3.258 4.289) 9.541 2.098 ( 14.751 0.771 5.879) 15.898 2.227 ( 6.037 2.235 -2.456) 6.890 2.389 ( 10.202 4.329 1.959) 11.254 2.512 ( 7.868 -6.924 -6.552) 12.360 2.611 ( 5.698 -2.580 -2.122) 6.605 2.766 ( 6.762 0.113 -1.108) 6.853 2.903 ( 1.682 -1.289 2.929) 3.615 3.053 ( 7.008 -3.522 3.441) 8.565 3.085 ( -1.849 -3.342 -0.817) 3.906 3.121 ( -6.047 0.923 5.355) 8.130 3.301 ( 5.352 -0.659 2.248) 5.842 3.384 ( -5.596 -6.307 4.316) 9.472 3.539 ( -0.920 0.206 1.423) 1.707 3.637 ( -0.532 2.197 6.615) 6.990 3.661 ( 2.807 5.065 3.911) 6.988 3.695 ( -3.311 -9.726 -7.214) 12.554 3.929 ( -2.190 5.642 -2.894) 6.708 3.990 ( -4.629 -1.998 -1.452) 5.247 4.070 ( -9.056 -0.368 -5.664) 10.687 4.128 ( -6.500 -1.203 -4.928) 8.245 4.276 ( -0.908 0.451 -2.569) 2.762 4.605 ( 2.330 5.248 -0.925) 5.816 4.806 ( -1.090 7.231 1.213) 7.412 4.850 ( 1.390 0.117 6.360) 6.511 5.006 ( -1.795 -0.315 0.314) 1.849 5.052 ( 0.972 -1.363 0.014) 1.675 5.209 ( 3.151 1.754 -5.029) 6.189 5.255 ( 2.468 -0.206 3.446) 4.243 5.414 ( 2.327 -3.279 -3.153) 5.110 5.598 ( 3.114 3.223 5.907) 7.415 5.774 ( 8.644 -0.265 -3.313) 9.261 5.916 ( 5.038 0.748 2.327) 5.599 6.132 ( 9.328 -3.103 -3.607) 10.471 7.495 ( 15.917 0.788 1.996) 16.061 7.558 ( 15.347 2.591 -2.922) 15.836 7.642 ( 10.733 -2.770 -0.225) 11.087 7.684 ( 15.695 -0.834 0.690) 15.732 8.247 ( 2.391 0.868 -1.474) 2.940 8.381 ( 6.537 1.837 1.110) 6.880 8.412 ( 0.440 -4.107 -0.357) 4.146 8.511 ( -0.404 -0.054 0.896) 0.984 9.215 ( 16.054 3.480 -2.656) 16.640 9.363 ( 15.682 1.518 2.996) 16.038 9.446 ( 17.332 -1.331 -4.331) 17.914 9.515 ( 13.706 -0.709 4.053) 14.310 10.205 ( -10.831 1.447 1.399) 11.016 10.268 ( -11.972 1.259 -1.365) 12.115 10.351 ( -14.960 -1.735 2.579) 15.280 10.398 ( -12.990 -1.412 -3.226) 13.459 11.707 ( 20.916 1.838 0.460) 21.001 11.839 ( 15.630 -1.075 -2.880) 15.929 11.976 ( 16.076 -0.449 -0.074) 16.083 11.998 ( 15.706 -0.187 0.127) 15.707 12.542 ( -2.139 1.087 1.133) 2.654 12.562 ( -2.569 1.163 -0.331) 2.840 12.716 ( -0.571 -1.768 1.175) 2.199 12.727 ( -0.657 -1.336 -1.650) 2.223 13.657 ( -7.235 6.052 -0.885) 9.474 13.687 ( -7.783 6.609 0.993) 10.258 14.147 ( -10.284 -5.596 -0.899) 11.742 14.157 ( -10.547 -5.220 1.123) 11.821 14.681 ( -18.886 1.914 -0.041) 18.983 14.698 ( -15.475 2.995 -0.478) 15.769 14.920 ( -7.347 -3.050 1.555) 8.106 14.993 ( -7.124 -4.586 -1.150) 8.551 15.854 ( -5.719 0.700 -1.738) 6.018 15.911 ( -8.427 -0.682 -1.081) 8.524 15.955 ( -4.629 0.328 1.093) 4.767 15.984 ( -8.806 -0.282 0.670) 8.836 16.480 ( -3.584 1.300 0.427) 3.836 16.522 ( -5.321 0.816 -0.314) 5.392 16.585 ( -4.625 -1.108 1.405) 4.959 16.650 ( -8.189 -2.861 -0.276) 8.679 20.953 ( 22.200 1.173 -0.806) 22.245 21.055 ( 22.928 -1.278 -1.849) 23.038 21.190 ( 17.443 -0.521 -0.071) 17.451 21.211 ( 16.851 -0.095 0.168) 16.852 22.436 ( -7.133 1.949 0.351) 7.403 22.470 ( -7.908 2.939 -0.916) 8.486 22.622 ( -10.644 -2.300 0.470) 10.900 22.644 ( -10.133 -1.541 -0.129) 10.250 27.277 ( 29.183 1.473 0.976) 29.236 27.396 ( 25.518 7.916 0.375) 26.720 27.514 ( 24.633 -3.096 4.293) 25.195 28.098 ( 7.627 -10.871 -9.067) 16.080 29.256 ( -7.007 3.362 -0.021) 7.771 29.352 ( -6.851 1.391 -0.149) 6.992 29.493 ( -9.470 -0.087 2.667) 9.839 29.697 ( -4.670 -4.258 -6.055) 8.752 31.376 ( 13.695 4.079 0.878) 14.316 31.506 ( 12.951 0.164 -2.998) 13.295 31.558 ( 10.694 0.823 1.103) 10.782 31.718 ( 5.693 -2.182 -1.542) 6.289 32.590 ( -12.910 2.182 5.091) 14.048 32.669 ( -17.407 -0.219 -1.139) 17.445 32.716 ( -13.407 1.178 -3.747) 13.971 32.897 ( -13.009 -3.030 3.204) 13.736 35.945 ( -0.139 0.531 5.878) 5.904 35.996 ( -1.454 -0.793 8.192) 8.358 36.373 ( -0.911 0.056 -5.490) 5.565 36.385 ( -1.860 -0.309 -3.133) 3.657 37.133 ( -1.043 0.656 0.560) 1.353 37.253 ( -3.516 1.483 -0.507) 3.849 37.354 ( -5.010 5.090 2.896) 7.706 37.813 ( -12.759 -4.988 -3.181) 14.064 ======================= Grid point 71 (35/84) ======================= q-point: ( 0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 0.840 2.003 -1.387) 2.577 1.900 ( 2.221 3.956 -4.333) 6.273 2.182 ( 3.650 4.584 6.609) 8.832 2.329 ( 3.327 -1.110 -1.513) 3.820 2.354 ( 9.168 1.094 2.858) 9.665 2.460 ( -0.560 2.319 -0.437) 2.425 2.705 ( 5.286 -0.351 -0.790) 5.356 2.724 ( 6.067 -5.506 2.366) 8.528 2.871 ( -2.261 0.064 5.233) 5.701 2.893 ( 2.222 -2.180 0.539) 3.159 2.955 ( -4.807 -0.028 7.132) 8.601 3.064 ( -0.686 -5.747 1.093) 5.890 3.173 ( 3.025 -2.431 1.689) 4.232 3.305 ( -2.825 -5.472 0.800) 6.209 3.381 ( 4.281 -0.761 -1.122) 4.490 3.467 ( -2.619 2.150 1.650) 3.769 3.564 ( -6.264 -0.349 0.896) 6.337 3.643 ( -0.863 -4.216 0.731) 4.365 3.742 ( 1.719 2.460 0.116) 3.003 3.865 ( -7.453 -2.535 -3.425) 8.585 3.884 ( 0.520 -1.486 -1.255) 2.013 3.981 ( -0.206 2.221 -4.539) 5.057 4.055 ( -0.507 -0.783 -9.113) 9.161 4.260 ( -0.389 3.316 -3.122) 4.571 4.639 ( 0.536 2.994 1.964) 3.620 4.797 ( 0.233 7.718 -0.476) 7.736 4.848 ( -1.853 2.517 4.124) 5.174 4.987 ( 0.306 -0.782 1.227) 1.487 5.062 ( 0.396 -0.080 2.275) 2.311 5.220 ( -1.635 -0.257 2.079) 2.657 5.315 ( 3.548 -0.161 -7.539) 8.333 5.446 ( 1.390 -2.814 -2.749) 4.172 5.631 ( -0.146 2.223 6.138) 6.530 5.905 ( 3.211 -3.134 -0.553) 4.521 5.968 ( 1.520 1.916 3.044) 3.905 6.241 ( 1.868 -3.888 -4.591) 6.299 7.724 ( 3.588 0.178 0.100) 3.594 7.761 ( 6.207 1.155 -0.689) 6.351 7.846 ( 8.657 0.276 -1.267) 8.753 7.863 ( 2.643 -0.674 0.995) 2.904 8.326 ( 2.649 0.868 -2.141) 3.514 8.412 ( 0.882 -0.431 0.436) 1.075 8.461 ( -1.381 2.105 1.640) 3.005 8.520 ( 3.136 0.984 0.132) 3.290 9.517 ( 12.782 1.421 -2.046) 13.023 9.590 ( 5.522 2.051 0.760) 5.939 9.689 ( 4.086 -2.301 3.203) 5.679 9.731 ( 7.298 -1.228 -2.494) 7.809 10.018 ( -10.647 0.759 3.360) 11.191 10.094 ( -4.144 0.863 -2.313) 4.823 10.144 ( -3.238 -2.180 2.019) 4.395 10.219 ( -3.244 -2.124 -3.045) 4.930 12.145 ( 18.989 0.422 -0.184) 18.994 12.193 ( 17.029 -0.542 -0.394) 17.042 12.317 ( 14.853 0.871 0.022) 14.878 12.334 ( 14.667 0.164 -0.811) 14.690 12.458 ( -6.470 1.315 -1.276) 6.725 12.485 ( -3.787 0.440 1.047) 3.954 12.641 ( -7.313 -0.806 -1.817) 7.579 12.669 ( -6.541 -1.441 1.691) 6.908 13.519 ( -5.810 4.947 0.610) 7.655 13.564 ( -3.596 4.789 -0.566) 6.015 13.898 ( -10.248 -4.362 1.662) 11.261 13.955 ( -6.725 -4.849 -1.594) 8.442 14.270 ( -14.805 4.872 0.734) 15.604 14.346 ( -12.816 6.967 -0.885) 14.614 14.744 ( -6.476 -6.525 2.002) 9.409 14.851 ( -4.674 -5.591 -1.127) 7.374 15.851 ( 1.681 0.093 -2.409) 2.939 15.867 ( 1.318 -0.369 -2.468) 2.822 15.954 ( 2.938 0.353 1.968) 3.554 15.982 ( 3.476 -0.496 2.346) 4.223 16.406 ( -3.385 -0.159 -0.165) 3.393 16.436 ( -1.882 1.165 -0.080) 2.215 16.477 ( -7.027 -1.548 -0.413) 7.207 16.487 ( -3.998 -0.350 1.439) 4.264 21.336 ( 14.132 1.181 -0.631) 14.195 21.394 ( 7.355 -0.045 1.216) 7.455 21.470 ( 5.720 0.101 1.011) 5.810 21.506 ( 13.352 -0.955 -3.207) 13.765 22.320 ( -2.654 0.699 -0.091) 2.746 22.338 ( -3.533 1.448 0.063) 3.819 22.404 ( -9.277 -1.202 0.948) 9.403 22.435 ( -8.657 -1.122 -0.900) 8.776 27.713 ( 10.165 1.880 3.331) 10.861 27.819 ( 16.461 -0.529 0.112) 16.470 27.897 ( 13.502 1.759 -0.442) 13.623 28.126 ( -5.162 -3.397 -3.103) 6.915 29.144 ( -2.888 0.480 0.124) 2.930 29.215 ( -5.160 -0.529 0.073) 5.188 29.327 ( -5.792 2.646 2.091) 6.702 29.624 ( -1.484 -4.516 -5.440) 7.224 31.649 ( 11.170 1.019 1.986) 11.391 31.717 ( 5.915 -1.027 0.609) 6.034 31.793 ( 10.612 1.510 -2.265) 10.956 31.881 ( 8.081 -0.938 -1.389) 8.253 32.313 ( -12.394 0.439 -0.299) 12.405 32.334 ( -13.769 -0.141 -1.736) 13.879 32.520 ( -4.430 2.077 1.476) 5.111 32.656 ( -9.424 -1.350 2.323) 9.800 35.944 ( -0.269 0.449 5.011) 5.039 35.982 ( -0.542 -0.490 6.300) 6.342 36.328 ( -1.119 0.900 -4.225) 4.462 36.397 ( 1.124 -0.807 -4.487) 4.696 37.124 ( 0.071 0.034 0.797) 0.801 37.209 ( -0.826 0.636 0.589) 1.197 37.287 ( -1.749 3.938 2.076) 4.783 37.623 ( -5.455 -3.679 -3.406) 7.409 ======================= Grid point 72 (36/84) ======================= q-point: (-0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 1.560 1.854 -1.052) 2.641 1.903 ( -2.647 2.417 -4.821) 6.008 2.115 ( -7.868 4.161 5.674) 10.555 2.286 ( -9.414 1.484 0.006) 9.530 2.398 ( -2.174 0.207 -1.053) 2.424 2.488 ( 0.539 4.279 2.028) 4.766 2.603 ( -9.537 -1.493 2.205) 9.902 2.787 ( -2.383 2.674 -0.012) 3.582 2.848 ( 3.026 -4.962 4.806) 7.542 2.942 ( -0.737 -8.517 2.702) 8.966 3.008 ( 4.646 0.481 6.574) 8.064 3.038 ( -2.147 -3.881 -0.230) 4.442 3.185 ( -0.571 -4.953 -0.284) 4.994 3.231 ( -2.735 -6.869 0.839) 7.441 3.399 ( -2.288 1.617 1.621) 3.237 3.477 ( 2.888 4.096 2.924) 5.802 3.555 ( 4.209 4.202 3.115) 6.714 3.645 ( -2.074 -4.105 -4.051) 6.129 3.730 ( 0.487 0.596 -1.993) 2.137 3.800 ( 2.466 -3.522 -1.001) 4.415 3.934 ( 1.478 -3.705 -3.488) 5.299 4.003 ( 4.988 2.420 -3.286) 6.445 4.072 ( 2.055 -0.042 -7.462) 7.740 4.269 ( 1.850 4.419 -4.034) 6.263 4.642 ( 0.054 3.206 2.106) 3.836 4.795 ( -1.087 6.022 -1.458) 6.291 4.807 ( -1.922 0.656 4.413) 4.858 5.003 ( 0.760 -1.019 2.136) 2.486 5.071 ( 0.247 -0.157 1.025) 1.066 5.182 ( -1.461 3.761 2.329) 4.659 5.368 ( 1.774 -3.672 -7.436) 8.481 5.471 ( 0.921 -2.230 -1.689) 2.945 5.601 ( -3.040 2.169 5.010) 6.249 5.901 ( -2.034 -0.321 3.232) 3.833 5.997 ( -0.577 -0.558 1.660) 1.844 6.213 ( -4.079 -3.640 -5.896) 8.040 7.731 ( -3.542 -0.156 0.268) 3.556 7.756 ( -10.706 -0.797 -0.764) 10.763 7.786 ( -3.919 2.568 -1.061) 4.804 7.913 ( -3.252 -0.239 0.488) 3.297 8.361 ( -3.022 1.263 -2.192) 3.941 8.396 ( 3.083 1.489 0.026) 3.424 8.457 ( -2.062 0.813 2.598) 3.415 8.521 ( -2.388 -0.010 -0.031) 2.388 9.496 ( -10.269 0.576 -1.403) 10.381 9.604 ( -9.923 -1.744 -0.253) 10.078 9.684 ( -10.065 2.332 1.760) 10.480 9.803 ( 3.313 -1.167 0.222) 3.519 9.930 ( 8.108 1.039 0.768) 8.210 10.090 ( -2.106 -2.530 -0.397) 3.316 10.138 ( 6.174 0.875 -0.151) 6.237 10.264 ( 6.950 -2.071 -0.961) 7.315 12.170 ( -21.083 0.258 0.714) 21.097 12.190 ( -13.467 -0.102 -0.653) 13.484 12.292 ( -13.667 0.753 -0.748) 13.708 12.319 ( -18.102 -0.166 -1.070) 18.135 12.439 ( 4.563 1.250 -0.745) 4.790 12.527 ( 6.388 -0.586 1.601) 6.612 12.583 ( 4.337 0.510 -2.012) 4.808 12.707 ( 8.190 -1.663 0.876) 8.403 13.509 ( 5.170 4.271 0.231) 6.710 13.572 ( 4.063 5.426 -0.246) 6.783 13.867 ( 7.430 -4.445 0.333) 8.664 13.983 ( 9.214 -4.735 -0.340) 10.365 14.276 ( 15.183 4.653 0.901) 15.905 14.347 ( 13.031 7.251 -0.912) 14.941 14.739 ( 6.020 -6.693 1.681) 9.158 14.862 ( 5.770 -5.452 -0.684) 7.968 15.855 ( -0.389 -0.028 -2.018) 2.055 15.864 ( -1.804 -0.127 -2.591) 3.160 15.974 ( -2.767 0.007 2.546) 3.760 15.981 ( -3.372 -0.152 1.912) 3.880 16.383 ( 2.074 -0.156 -0.401) 2.118 16.433 ( 5.085 -1.404 -0.709) 5.323 16.464 ( 2.305 0.863 0.768) 2.578 16.509 ( 5.879 -0.268 0.757) 5.933 21.341 ( -11.318 0.394 -1.021) 11.370 21.360 ( -14.296 0.306 0.683) 14.315 21.454 ( -4.973 1.094 -0.374) 5.105 21.568 ( -8.759 -1.481 -0.552) 8.900 22.293 ( 1.126 0.850 -0.408) 1.469 22.350 ( 4.741 0.306 -0.001) 4.751 22.392 ( 8.767 -0.398 0.384) 8.784 22.450 ( 8.785 -0.975 -0.209) 8.841 27.685 ( -11.939 2.590 1.907) 12.365 27.840 ( -18.368 -0.344 0.852) 18.391 27.921 ( -9.970 0.895 1.105) 10.071 28.126 ( 7.032 -3.631 -3.632) 8.708 29.171 ( 4.337 -1.062 -0.086) 4.466 29.211 ( 5.940 -0.952 1.418) 6.181 29.293 ( 2.236 4.818 0.332) 5.322 29.642 ( 3.573 -4.844 -4.721) 7.650 31.637 ( -10.771 2.457 1.258) 11.119 31.753 ( -4.946 -0.557 2.077) 5.393 31.816 ( -11.586 0.135 -1.710) 11.713 31.868 ( -6.226 -1.356 -1.826) 6.629 32.247 ( 7.483 0.854 -1.264) 7.637 32.300 ( 9.813 -0.485 -2.397) 10.113 32.593 ( 10.510 0.633 3.492) 11.093 32.613 ( 6.377 0.293 0.396) 6.396 35.940 ( -0.452 0.461 4.850) 4.893 35.979 ( -0.042 -0.545 5.929) 5.955 36.331 ( 1.547 1.046 -4.068) 4.476 36.414 ( 0.828 -1.035 -3.853) 4.075 37.133 ( 0.707 0.206 1.152) 1.367 37.219 ( 1.561 1.978 -0.350) 2.544 37.292 ( 2.389 2.238 3.721) 4.956 37.599 ( 3.450 -3.474 -4.456) 6.620 ======================= Grid point 73 (37/84) ======================= q-point: (-0.36 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -14.150 4.223 -1.060) 14.805 1.872 ( 0.755 0.736 -1.793) 2.080 2.022 ( -7.163 -2.325 2.723) 8.008 2.030 ( -10.242 -1.342 1.877) 10.498 2.236 ( -11.246 -2.294 1.842) 11.625 2.411 ( -7.249 11.643 5.805) 14.893 2.484 ( -2.549 -2.671 -10.293) 10.935 2.677 ( -9.324 3.258 -0.900) 9.918 2.808 ( -7.931 -8.196 -8.972) 14.511 2.894 ( 1.026 -4.738 8.082) 9.424 2.999 ( -3.071 -5.364 0.202) 6.184 3.059 ( -1.867 -0.003 6.793) 7.045 3.191 ( -0.545 -1.338 0.070) 1.446 3.232 ( 1.454 -10.771 5.672) 12.260 3.383 ( -1.516 4.204 2.575) 5.158 3.503 ( -7.096 4.637 0.702) 8.506 3.507 ( -1.660 0.801 0.294) 1.866 3.640 ( 4.350 2.362 4.302) 6.558 3.811 ( 6.883 0.174 -3.118) 7.558 3.921 ( 2.401 -0.590 -5.030) 5.604 3.949 ( 5.903 -0.796 0.639) 5.991 4.121 ( 4.708 -2.065 -6.822) 8.542 4.158 ( 7.060 -0.789 -2.961) 7.696 4.350 ( 6.464 1.972 -1.633) 6.952 4.648 ( 0.237 6.117 -0.311) 6.130 4.755 ( -3.112 2.948 2.768) 5.103 4.772 ( -0.951 -1.369 2.606) 3.094 5.011 ( -0.560 -1.170 0.055) 1.298 5.061 ( -1.153 -0.989 -0.319) 1.553 5.182 ( 1.019 4.969 3.971) 6.442 5.361 ( -3.261 -4.859 -4.308) 7.266 5.459 ( -2.095 -2.027 -0.230) 2.924 5.520 ( -5.062 4.462 2.797) 7.304 5.842 ( -4.525 0.691 1.595) 4.848 5.909 ( -8.266 -0.011 2.341) 8.591 6.079 ( -8.786 -3.370 -6.250) 11.297 7.429 ( -17.698 2.564 -0.501) 17.890 7.589 ( -12.929 0.444 -0.756) 12.959 7.627 ( -11.925 -0.994 -0.301) 11.970 7.738 ( -13.923 -0.899 1.147) 13.999 8.288 ( -3.262 1.353 -2.170) 4.145 8.324 ( -5.883 1.244 1.419) 6.178 8.447 ( -1.188 -2.428 0.252) 2.715 8.500 ( 0.015 -1.905 0.846) 2.084 9.223 ( -15.284 1.307 -2.283) 15.509 9.326 ( -16.509 -0.920 -1.294) 16.585 9.402 ( -15.642 4.402 1.902) 16.361 9.619 ( -17.841 -1.746 2.478) 18.097 10.181 ( 13.752 0.634 0.396) 13.772 10.254 ( 16.492 -1.207 -0.797) 16.555 10.299 ( 10.300 2.429 -0.590) 10.598 10.468 ( 12.517 -1.848 -0.120) 12.654 11.723 ( -20.085 2.097 0.930) 20.216 11.880 ( -18.571 -0.249 -4.533) 19.118 11.920 ( -14.622 -1.635 1.299) 14.770 11.959 ( -15.694 -0.683 -0.844) 15.731 12.524 ( 2.790 0.767 0.305) 2.909 12.593 ( 0.927 1.684 1.366) 2.359 12.651 ( 2.081 -1.470 -1.708) 3.067 12.772 ( -0.320 -1.638 0.223) 1.684 13.642 ( 7.154 4.746 -0.680) 8.612 13.698 ( 7.713 7.571 0.685) 10.830 14.083 ( 10.429 -5.455 -0.694) 11.790 14.212 ( 10.169 -4.920 0.729) 11.320 14.687 ( 18.414 1.863 0.034) 18.508 14.709 ( 16.401 3.337 -0.225) 16.738 14.919 ( 7.948 -3.344 1.182) 8.703 15.025 ( 8.391 -4.579 -0.083) 9.559 15.869 ( 6.216 0.753 -1.930) 6.552 15.931 ( 9.286 -0.769 -1.234) 9.399 15.940 ( 4.615 0.483 1.406) 4.848 15.978 ( 6.680 -0.408 0.962) 6.761 16.487 ( 6.303 0.185 0.630) 6.337 16.524 ( 3.253 1.268 -0.492) 3.526 16.564 ( 5.617 -1.157 1.034) 5.827 16.646 ( 6.871 -2.045 -0.238) 7.173 20.964 ( -22.587 0.820 -0.114) 22.603 21.012 ( -19.800 -0.394 -2.758) 19.995 21.202 ( -17.533 0.032 0.390) 17.537 21.257 ( -19.196 -1.173 0.479) 19.237 22.393 ( 7.024 2.816 -0.656) 7.596 22.503 ( 8.381 1.627 -0.200) 8.540 22.607 ( 10.724 -1.969 0.218) 10.905 22.654 ( 9.865 -1.465 0.119) 9.974 27.273 ( -27.976 2.454 1.172) 28.108 27.350 ( -27.754 5.250 -0.372) 28.249 27.571 ( -24.449 -0.871 4.866) 24.944 28.151 ( -3.935 -12.563 -7.831) 15.318 29.285 ( 6.364 0.824 0.420) 6.431 29.368 ( 6.111 3.422 1.883) 7.253 29.410 ( 9.607 1.052 -1.862) 9.842 29.749 ( 6.408 -4.982 -3.921) 9.015 31.373 ( -13.312 6.000 0.283) 14.604 31.532 ( -13.823 0.415 -2.594) 14.071 31.581 ( -9.584 0.009 2.061) 9.803 31.722 ( -6.188 -2.482 -1.271) 6.787 32.469 ( 12.109 0.965 0.846) 12.177 32.536 ( 11.901 -0.677 -2.977) 12.286 32.838 ( 13.820 0.435 -0.774) 13.848 32.866 ( 14.462 -0.188 3.236) 14.821 35.931 ( -0.630 0.592 5.362) 5.431 35.990 ( 0.819 -0.970 7.097) 7.210 36.369 ( 1.731 0.674 -4.132) 4.531 36.439 ( 2.492 -1.181 -2.419) 3.668 37.155 ( 1.448 1.266 1.491) 2.434 37.264 ( 3.139 4.958 -2.347) 6.320 37.397 ( 7.598 0.339 7.097) 10.403 37.750 ( 11.487 -4.385 -6.126) 13.738 ======================= Grid point 74 (38/84) ======================= q-point: (-0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( -13.006 9.013 4.754) 16.522 1.602 ( -24.070 -0.186 3.945) 24.391 1.883 ( 1.027 -1.517 -3.498) 3.948 2.022 ( -5.336 -3.889 -2.134) 6.939 2.061 ( -1.451 -4.416 2.504) 5.280 2.266 ( -7.449 3.967 6.311) 10.538 2.390 ( -6.621 -6.976 -11.394) 14.910 2.521 ( -4.511 4.631 -5.685) 8.609 2.641 ( -8.900 -2.150 -11.247) 14.503 2.819 ( -12.189 -1.689 2.973) 12.660 2.871 ( -8.163 0.210 5.222) 9.692 2.949 ( -8.702 0.075 4.485) 9.790 3.070 ( -12.059 -2.680 -1.665) 12.465 3.240 ( -3.248 -6.705 3.961) 8.437 3.267 ( -4.143 -0.725 0.761) 4.274 3.453 ( -3.030 -0.688 2.497) 3.986 3.476 ( 0.398 9.495 7.572) 12.151 3.743 ( 4.954 2.402 4.440) 7.073 3.892 ( 0.467 -2.864 -4.864) 5.664 3.998 ( 5.955 5.019 -8.798) 11.750 4.064 ( 3.448 -4.356 5.471) 7.798 4.261 ( 8.783 -6.707 -3.560) 11.610 4.291 ( 6.873 0.911 -2.757) 7.461 4.450 ( 0.971 -0.018 1.302) 1.624 4.626 ( -2.749 6.761 -2.342) 7.665 4.729 ( 0.944 2.193 2.980) 3.818 4.778 ( 1.820 -1.638 1.865) 3.078 4.939 ( -6.470 0.152 -2.116) 6.809 5.043 ( -0.834 -4.201 1.571) 4.562 5.166 ( -14.499 1.504 4.462) 15.245 5.209 ( 0.057 1.980 2.346) 3.070 5.383 ( -6.270 -0.165 0.708) 6.312 5.430 ( -3.042 1.839 -1.606) 3.900 5.671 ( -11.006 -1.484 1.388) 11.192 5.737 ( -8.229 1.864 -0.976) 8.494 5.844 ( -13.734 -1.849 -4.197) 14.480 7.100 ( -13.589 2.650 -0.721) 13.864 7.301 ( -13.678 0.126 0.087) 13.679 7.325 ( -15.621 -1.471 1.249) 15.740 7.391 ( -17.160 -2.298 -0.217) 17.314 8.260 ( -0.639 -0.201 0.437) 0.800 8.271 ( 1.077 2.235 -1.256) 2.781 8.385 ( -4.203 -2.867 -0.659) 5.131 8.478 ( -2.903 -2.649 1.876) 4.355 8.917 ( -14.103 0.997 -2.121) 14.296 8.983 ( -16.368 -0.527 -1.214) 16.421 9.083 ( -15.465 5.358 0.492) 16.374 9.237 ( -18.422 0.211 2.595) 18.605 10.495 ( 16.161 0.431 0.260) 16.169 10.555 ( 15.376 3.435 -0.286) 15.757 10.612 ( 17.409 -1.894 -0.503) 17.519 10.745 ( 14.449 -1.601 0.006) 14.538 11.415 ( -10.111 3.151 1.510) 10.698 11.552 ( -12.367 0.876 -5.707) 13.648 11.684 ( -9.661 -2.315 -0.093) 9.935 11.708 ( -8.904 -2.028 -0.257) 9.136 12.540 ( -1.172 0.206 0.241) 1.214 12.584 ( -1.236 1.979 1.630) 2.846 12.683 ( 0.683 -1.943 -1.515) 2.557 12.750 ( -1.125 -0.768 -0.076) 1.364 13.797 ( 8.023 3.518 -0.955) 8.812 13.858 ( 7.636 6.589 0.897) 10.126 14.201 ( 0.318 -5.543 -1.148) 5.669 14.305 ( -1.607 -2.216 1.019) 2.921 14.824 ( -3.218 2.185 0.161) 3.894 14.861 ( -1.513 0.361 -0.466) 1.624 14.965 ( -2.492 -1.610 1.525) 3.335 15.191 ( 9.400 -8.084 -0.727) 12.419 16.159 ( 18.107 0.323 -1.011) 18.138 16.203 ( 17.679 0.284 -0.653) 17.693 16.242 ( 17.302 -0.603 -0.410) 17.318 16.280 ( 18.354 -0.376 1.669) 18.434 16.575 ( 4.025 2.313 -1.587) 4.906 16.607 ( 5.816 0.438 1.343) 5.985 16.643 ( 3.682 -0.518 1.156) 3.894 16.800 ( 10.069 -3.932 -1.133) 10.869 20.512 ( -20.638 0.903 -0.805) 20.673 20.592 ( -20.521 -1.082 -3.851) 20.908 20.824 ( -18.703 -0.545 0.854) 18.731 20.856 ( -19.642 -0.895 -0.095) 19.663 22.528 ( 5.885 4.292 -0.395) 7.295 22.647 ( 5.425 2.352 -0.303) 5.920 22.790 ( 7.160 -2.258 -0.315) 7.514 22.821 ( 6.458 -1.683 0.374) 6.684 26.633 ( -33.648 2.045 1.505) 33.744 26.729 ( -33.528 6.350 -1.179) 34.144 26.979 ( -33.532 -0.114 6.206) 34.102 27.955 ( -15.497 -24.661 -15.890) 33.179 29.404 ( 5.035 2.416 -0.571) 5.614 29.483 ( 5.449 7.064 0.658) 8.946 29.587 ( 7.066 -1.151 -1.097) 7.243 29.853 ( 3.290 -4.508 -3.052) 6.361 31.151 ( -7.894 11.838 -1.716) 14.332 31.280 ( -10.609 1.758 -2.809) 11.115 31.432 ( -4.845 -0.593 3.241) 5.860 31.680 ( 2.707 -2.772 -3.967) 5.545 32.701 ( 10.472 0.482 2.876) 10.871 32.751 ( 9.427 -0.745 -2.693) 9.832 33.114 ( 12.925 0.460 -1.314) 13.000 33.146 ( 12.603 -0.255 2.482) 12.847 35.924 ( -0.365 0.814 6.452) 6.514 36.024 ( 2.136 -2.094 9.926) 10.367 36.389 ( 0.767 1.041 -3.127) 3.384 36.513 ( 4.314 -2.587 -1.886) 5.372 37.193 ( 2.233 3.153 1.880) 4.297 37.347 ( 5.189 7.731 -3.753) 10.038 37.603 ( 12.308 -0.050 11.154) 16.610 38.040 ( 17.166 -5.796 -7.209) 19.500 ======================= Grid point 75 (39/84) ======================= q-point: (-0.18 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( -22.954 10.752 1.933) 25.421 1.219 ( -10.039 14.288 15.603) 23.418 1.873 ( -4.249 -2.660 1.483) 5.227 1.961 ( 3.873 -0.820 -8.905) 9.745 2.045 ( -13.243 -4.442 0.804) 13.991 2.076 ( -5.352 -8.130 -0.505) 9.747 2.235 ( -9.691 -11.859 -3.340) 15.675 2.302 ( -18.945 0.792 -13.213) 23.111 2.447 ( -8.891 6.414 -5.130) 12.104 2.519 ( -16.040 4.363 3.947) 17.085 2.644 ( -9.835 2.382 2.589) 10.445 2.798 ( -4.082 2.995 3.448) 6.125 2.858 ( -7.634 -2.395 -4.186) 9.030 2.997 ( -17.835 1.992 4.628) 18.533 3.197 ( -7.742 -7.885 2.701) 11.375 3.369 ( -6.916 2.066 2.514) 7.644 3.490 ( -0.882 10.035 5.777) 11.612 3.815 ( 1.510 -0.889 2.762) 3.271 3.835 ( -5.771 -9.128 -4.042) 11.531 4.022 ( -7.684 -3.938 -7.964) 11.746 4.098 ( 1.187 -2.261 -0.079) 2.555 4.297 ( -4.115 0.989 1.420) 4.464 4.402 ( 3.002 1.090 4.129) 5.220 4.526 ( 1.688 -3.936 -0.606) 4.325 4.584 ( 4.596 1.709 -3.198) 5.855 4.700 ( -3.384 -1.037 4.664) 5.855 4.750 ( -4.792 3.821 -1.045) 6.217 4.833 ( -0.653 1.455 -5.148) 5.389 4.944 ( -4.506 3.159 5.392) 7.704 5.078 ( 5.802 -4.946 4.569) 8.889 5.230 ( 2.376 2.347 7.309) 8.036 5.249 ( -5.963 0.784 -0.840) 6.073 5.360 ( -2.622 -2.549 -0.121) 3.659 5.514 ( -4.640 -1.901 -0.957) 5.105 5.553 ( -9.316 1.009 -0.794) 9.404 5.598 ( -8.310 0.924 -2.070) 8.614 6.896 ( -7.120 1.406 -1.125) 7.344 7.061 ( -8.278 -0.464 2.037) 8.538 7.087 ( -8.368 1.024 1.319) 8.533 7.164 ( -4.954 -2.649 -1.968) 5.952 8.263 ( -0.659 -0.851 1.246) 1.646 8.282 ( -2.629 -0.596 -1.684) 3.178 8.301 ( -2.182 0.816 -1.597) 2.824 8.392 ( -4.336 -1.104 1.607) 4.754 8.667 ( -11.110 0.556 -2.333) 11.366 8.703 ( -9.991 -0.690 -0.458) 10.025 8.801 ( -11.812 4.724 0.389) 12.727 8.909 ( -13.806 0.444 1.737) 13.922 10.788 ( 11.861 0.960 -0.471) 11.909 10.866 ( 12.932 2.451 -0.259) 13.164 10.918 ( 11.653 -2.277 0.427) 11.881 11.016 ( 11.064 -1.141 -0.660) 11.142 11.326 ( 1.355 1.529 0.786) 2.189 11.394 ( -1.541 1.153 -4.919) 5.282 11.541 ( -4.226 -1.888 -1.498) 4.865 11.596 ( -1.842 -2.351 0.466) 3.023 12.505 ( -1.736 1.355 0.034) 2.203 12.552 ( -1.795 3.348 1.546) 4.101 12.664 ( -2.484 -1.772 -1.268) 3.304 12.720 ( -2.533 0.310 -0.206) 2.560 13.933 ( 3.770 1.198 0.303) 3.967 13.988 ( 4.663 -0.064 -1.246) 4.827 14.123 ( -5.111 -1.385 -0.035) 5.296 14.187 ( -7.823 0.469 0.556) 7.857 14.670 ( -10.575 3.334 0.459) 11.098 14.734 ( -9.022 1.623 -0.592) 9.186 14.870 ( -7.452 -1.747 1.397) 7.780 15.386 ( 7.342 -16.670 -4.115) 18.675 16.345 ( -1.335 -1.467 -0.614) 2.076 16.362 ( -0.539 -2.751 -1.474) 3.167 16.378 ( -5.456 -0.389 0.452) 5.489 16.414 ( -2.914 -0.475 -0.163) 2.957 16.840 ( 19.441 2.413 -0.053) 19.590 16.872 ( 18.967 3.870 -1.554) 19.420 16.920 ( 21.777 0.008 -0.350) 21.780 17.112 ( 19.547 -3.500 -0.373) 19.862 20.182 ( -11.499 -0.180 -0.963) 11.540 20.217 ( -15.329 -0.629 -5.349) 16.247 20.478 ( -15.134 -0.828 0.660) 15.171 20.505 ( -14.086 -0.610 0.578) 14.111 22.628 ( 4.194 6.202 -0.574) 7.509 22.713 ( 1.144 3.119 -0.181) 3.327 22.897 ( 3.613 -1.875 -0.751) 4.139 22.916 ( 3.119 -1.717 0.392) 3.582 25.973 ( -30.479 1.245 1.164) 30.527 26.039 ( -32.945 3.999 -0.504) 33.191 26.266 ( -36.077 1.395 4.695) 36.408 27.445 ( -36.123 -39.377 -28.643) 60.628 29.483 ( 2.986 3.244 -0.804) 4.482 29.583 ( 4.286 7.926 -0.805) 9.047 29.687 ( 3.132 -1.026 -0.969) 3.435 29.870 ( -1.070 -3.242 -2.194) 4.058 31.068 ( -0.752 18.366 -7.640) 19.906 31.114 ( -4.719 6.220 -3.919) 8.736 31.391 ( 0.281 -0.613 4.375) 4.427 31.811 ( 9.528 -2.773 -7.062) 12.180 32.890 ( 7.909 -0.009 4.613) 9.156 32.912 ( 6.838 -0.565 -0.078) 6.862 33.342 ( 9.459 0.514 -1.560) 9.601 33.365 ( 8.808 0.035 1.385) 8.917 35.926 ( 0.199 1.046 8.011) 8.081 36.093 ( 4.154 -4.765 13.904) 15.274 36.405 ( 1.011 1.617 -2.099) 2.836 36.593 ( 3.448 -4.247 -1.450) 5.660 37.247 ( 2.919 5.992 2.274) 7.042 37.462 ( 6.101 10.108 -4.969) 12.810 37.916 ( 18.384 -0.045 17.437) 25.338 38.409 ( 18.885 -7.225 -6.362) 21.197 ======================= Grid point 76 (40/84) ======================= q-point: (-0.09 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -9.785 22.453 5.996) 25.216 1.078 ( -6.202 21.077 22.392) 31.370 1.469 ( -34.289 4.892 12.872) 36.950 1.712 ( -19.366 -3.745 4.206) 20.169 1.789 ( -14.778 2.310 -14.663) 20.946 2.021 ( -2.698 -9.016 -4.816) 10.572 2.096 ( 1.768 -3.746 -3.300) 5.296 2.167 ( -5.171 -4.190 -5.409) 8.576 2.176 ( -2.363 -0.769 -4.247) 4.921 2.280 ( -8.310 2.712 -0.959) 8.793 2.568 ( -3.441 4.594 3.100) 6.523 2.657 ( -10.410 1.624 1.256) 10.611 2.719 ( -4.921 -1.432 0.503) 5.150 2.800 ( 0.447 3.660 0.000) 3.687 2.887 ( -19.530 -4.668 5.858) 20.917 3.163 ( -11.929 0.965 -2.014) 12.136 3.352 ( -17.093 3.965 -7.205) 18.968 3.641 ( -8.596 -3.958 4.832) 10.626 3.793 ( -3.006 0.463 -8.463) 8.993 3.880 ( 0.916 -17.701 5.739) 18.631 4.130 ( 1.094 5.911 -1.269) 6.143 4.250 ( -1.903 0.342 0.351) 1.965 4.411 ( 0.399 2.574 6.464) 6.969 4.504 ( 1.636 -2.131 -2.063) 3.387 4.643 ( -0.745 1.977 4.338) 4.825 4.765 ( 4.729 -1.241 2.414) 5.453 4.795 ( 4.845 1.693 -2.949) 5.919 4.857 ( -1.162 0.958 0.426) 1.565 4.893 ( 3.634 4.279 -3.960) 6.870 5.158 ( -1.925 -2.903 -0.303) 3.496 5.199 ( 4.930 -0.741 0.354) 4.997 5.284 ( -1.779 -3.560 2.247) 4.570 5.374 ( -4.198 -3.596 1.097) 5.635 5.421 ( -1.335 -2.829 1.721) 3.570 5.456 ( 2.107 -2.350 6.322) 7.066 5.587 ( 12.646 -0.911 8.324) 15.167 6.787 ( -3.789 1.814 -1.221) 4.374 6.963 ( -2.728 -2.785 2.515) 4.639 7.007 ( 0.933 4.595 -1.013) 4.797 7.139 ( 1.397 1.180 -3.638) 4.072 8.155 ( -6.993 0.685 -1.531) 7.192 8.190 ( -4.934 -1.642 1.371) 5.378 8.309 ( 1.330 -0.590 -1.536) 2.116 8.354 ( -0.036 -0.845 0.579) 1.025 8.479 ( -7.190 0.998 -1.281) 7.371 8.553 ( -6.214 0.029 0.126) 6.216 8.635 ( -4.650 2.177 0.035) 5.134 8.694 ( -7.589 -0.875 -0.115) 7.640 10.927 ( 1.084 -0.528 -0.675) 1.382 11.009 ( 3.730 2.605 -1.879) 4.922 11.046 ( 1.629 -2.719 0.315) 3.186 11.158 ( 2.887 -1.038 -1.285) 3.327 11.434 ( 8.093 -0.269 -1.472) 8.231 11.517 ( 3.892 2.032 -1.384) 4.604 11.527 ( 8.973 -0.622 -0.552) 9.011 11.636 ( 4.336 -1.048 1.007) 4.574 12.478 ( -0.836 1.135 -0.343) 1.451 12.518 ( -1.981 2.587 1.303) 3.510 12.595 ( -3.194 1.001 -1.063) 3.511 12.634 ( -5.558 1.366 -0.502) 5.745 13.898 ( -2.947 1.498 -1.003) 3.455 13.961 ( -6.474 3.054 1.192) 7.257 14.106 ( 4.547 -3.377 -0.779) 5.717 14.185 ( 6.083 -1.176 -0.080) 6.196 14.430 ( -11.581 4.024 0.334) 12.265 14.540 ( -9.760 0.650 -0.327) 9.787 14.643 ( -14.303 0.326 -0.089) 14.307 15.239 ( -31.424 -28.127 -17.313) 45.589 16.212 ( -7.092 0.410 0.331) 7.111 16.249 ( -4.935 0.066 -0.803) 5.000 16.292 ( -5.643 -1.672 -0.656) 5.922 16.336 ( -1.222 -0.794 -0.713) 1.623 17.160 ( 11.077 2.652 0.100) 11.390 17.233 ( 14.626 7.435 -4.019) 16.892 17.314 ( 15.319 -0.516 0.259) 15.330 17.462 ( 12.466 -2.125 -1.170) 12.700 19.979 ( -5.199 0.358 -3.047) 6.037 20.064 ( -2.401 -1.694 0.082) 2.939 20.247 ( -7.350 -0.110 2.062) 7.635 20.295 ( -6.929 -1.056 0.490) 7.026 22.702 ( -0.997 4.073 0.295) 4.204 22.717 ( 4.851 9.357 -2.974) 10.951 22.933 ( 0.216 -2.331 0.676) 2.437 22.969 ( 2.370 -0.666 -1.327) 2.796 25.460 ( -18.931 0.370 0.226) 18.936 25.484 ( -19.967 0.438 0.467) 19.978 25.608 ( -26.737 1.337 1.329) 26.803 26.363 ( -68.591 -37.633 -31.825) 84.462 29.527 ( 1.513 3.836 -0.317) 4.135 29.650 ( 2.291 7.036 -3.309) 8.106 29.725 ( 1.010 -0.952 -0.402) 1.445 29.829 ( -2.422 -1.687 -1.175) 3.177 31.012 ( -2.462 5.589 -4.406) 7.530 31.148 ( 4.765 27.362 -21.477) 35.110 31.428 ( 2.474 3.293 2.191) 4.666 32.006 ( 9.111 -2.573 -9.906) 13.703 33.021 ( 4.701 -0.003 5.899) 7.543 33.054 ( 8.146 -0.836 6.362) 10.370 33.487 ( 4.833 0.541 -1.642) 5.132 33.497 ( 4.119 0.420 0.067) 4.140 35.939 ( 0.455 1.238 9.464) 9.555 36.206 ( 5.663 -10.750 15.818) 19.946 36.427 ( 1.334 1.652 -0.577) 2.201 36.644 ( 1.659 -5.260 -1.251) 5.656 37.310 ( 3.014 9.105 2.128) 9.824 37.570 ( 4.475 11.314 -6.031) 13.579 38.386 ( 26.197 -6.225 22.076) 34.820 38.750 ( 13.756 -8.364 -3.434) 16.461 ======================= Grid point 77 (41/84) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -12.553 17.988 9.459) 23.888 1.155 ( 0.775 24.190 6.017) 24.939 1.278 ( -4.720 -10.411 6.458) 13.130 1.582 ( 0.638 -11.405 6.387) 13.088 1.757 ( 7.405 14.619 2.160) 16.529 1.851 ( 6.343 3.523 -11.768) 13.825 1.997 ( 3.539 -7.004 -12.985) 15.172 2.027 ( -0.629 -7.840 -0.639) 7.891 2.237 ( 2.287 3.512 -6.600) 7.818 2.269 ( 5.121 0.087 -5.586) 7.579 2.484 ( -1.320 2.173 4.405) 5.086 2.540 ( -4.199 -3.914 6.714) 8.833 2.637 ( 0.285 0.454 -0.579) 0.789 2.664 ( -0.293 -1.133 0.797) 1.415 2.936 ( -1.163 5.768 1.010) 5.970 2.976 ( -2.621 0.192 -3.914) 4.715 3.112 ( 0.476 7.157 1.821) 7.400 3.398 ( -1.536 -21.296 9.967) 23.563 3.769 ( 0.928 3.813 5.870) 7.061 3.810 ( 1.163 -0.011 2.067) 2.372 4.249 ( -0.711 4.991 6.618) 8.319 4.299 ( -2.286 9.419 -4.042) 10.501 4.365 ( -0.853 -5.286 8.819) 10.317 4.469 ( 0.168 -6.832 -5.776) 8.948 4.690 ( -0.617 4.131 2.233) 4.736 4.766 ( -0.977 -1.935 0.162) 2.173 4.834 ( -0.104 0.474 1.599) 1.671 4.880 ( 1.097 -3.582 -2.339) 4.417 5.005 ( 0.449 5.119 1.013) 5.237 5.112 ( 2.721 -4.438 1.508) 5.420 5.184 ( -0.651 -0.505 0.713) 1.090 5.245 ( -0.372 -0.304 -2.750) 2.791 5.306 ( 3.847 -5.709 3.397) 7.677 5.329 ( -1.697 -4.517 0.355) 4.838 5.457 ( -2.814 8.447 -0.961) 8.955 5.607 ( -0.996 -8.094 0.017) 8.156 6.805 ( -0.224 2.911 1.720) 3.388 6.864 ( -0.393 -3.650 2.853) 4.650 7.181 ( -0.425 4.143 -8.736) 9.678 7.217 ( 2.676 0.280 -6.493) 7.028 8.117 ( 0.151 2.641 0.074) 2.646 8.127 ( 0.165 3.776 -0.146) 3.782 8.213 ( 0.987 -7.203 0.395) 7.281 8.232 ( 0.962 -7.128 0.043) 7.192 8.499 ( 1.027 4.971 0.100) 5.077 8.529 ( -1.871 5.492 -0.960) 5.880 8.571 ( 0.824 -2.243 0.456) 2.433 8.607 ( -0.630 -2.383 -0.624) 2.542 10.940 ( 0.861 1.637 1.044) 2.124 10.983 ( 0.006 -3.034 0.554) 3.084 11.111 ( 0.680 2.276 -1.791) 2.975 11.152 ( 1.011 -2.045 -2.625) 3.478 11.539 ( -0.409 1.031 -1.520) 1.882 11.560 ( 0.559 -1.163 -2.251) 2.595 11.693 ( -1.731 1.262 1.864) 2.840 11.706 ( 0.205 -0.066 1.140) 1.160 12.479 ( 0.991 0.359 1.004) 1.455 12.487 ( 1.118 -0.401 1.043) 1.581 12.568 ( -1.308 0.954 -1.102) 1.958 12.576 ( -0.973 0.254 -0.927) 1.367 13.983 ( -1.869 5.138 0.570) 5.497 14.045 ( 5.019 -1.431 -1.013) 5.316 14.209 ( -2.710 1.977 -0.576) 3.403 14.240 ( -3.086 -0.922 0.164) 3.225 14.322 ( -1.692 -0.100 -0.655) 1.817 14.332 ( -1.455 -0.970 -0.666) 1.871 14.412 ( 1.858 0.872 -1.079) 2.319 14.419 ( -1.599 0.356 -1.780) 2.419 16.172 ( 0.261 1.445 0.489) 1.548 16.198 ( -0.568 -1.025 -0.283) 1.206 16.243 ( 0.233 1.658 0.764) 1.841 16.288 ( -0.283 -2.656 -0.387) 2.699 17.347 ( 0.255 4.180 0.082) 4.188 17.408 ( -0.250 -1.949 -1.470) 2.454 17.533 ( 0.801 1.914 -1.489) 2.554 17.557 ( -0.904 -0.798 -0.947) 1.533 19.967 ( 1.477 -0.694 -0.091) 1.635 19.986 ( -0.367 -2.409 -0.712) 2.539 20.185 ( 0.054 0.796 1.258) 1.490 20.204 ( 0.176 -1.152 0.478) 1.260 22.771 ( -0.566 5.389 0.664) 5.459 22.862 ( -0.647 -4.277 0.712) 4.384 22.943 ( 1.065 3.620 -5.337) 6.537 22.986 ( 0.708 -1.396 -2.559) 3.000 25.279 ( 4.069 0.078 -0.447) 4.095 25.281 ( 3.118 -0.155 -0.437) 3.152 25.295 ( -4.417 0.099 0.116) 4.419 25.296 ( -4.365 -0.044 0.067) 4.366 29.635 ( 0.660 4.761 0.631) 4.848 29.706 ( 0.682 -2.840 0.612) 2.984 29.732 ( -0.625 2.106 -1.791) 2.835 29.765 ( -0.925 -1.658 -0.658) 2.010 31.107 ( -0.301 7.645 -1.683) 7.834 31.242 ( -0.462 -6.247 -1.239) 6.386 31.789 ( -1.640 17.215 -25.888) 31.132 32.011 ( -0.236 -8.073 -17.959) 19.692 33.111 ( 2.595 2.436 7.027) 7.877 33.175 ( 5.971 -4.519 7.346) 10.489 33.539 ( -0.714 0.475 -1.360) 1.608 33.542 ( -0.557 0.210 -1.634) 1.739 35.991 ( 0.048 3.256 11.431) 11.886 36.083 ( 0.174 -7.405 14.175) 15.994 36.480 ( -0.051 2.947 -0.861) 3.070 36.554 ( -0.246 -5.026 -1.495) 5.249 37.553 ( -0.784 10.710 2.848) 11.110 37.692 ( -1.234 -2.922 1.574) 3.541 38.552 ( -1.521 2.263 1.974) 3.366 38.704 ( 0.724 -11.723 -2.042) 11.922 ======================= Grid point 78 (42/84) ======================= q-point: ( 0.09 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 22.373 19.163 -0.524) 29.462 1.225 ( 4.941 20.084 7.334) 21.945 1.463 ( 18.026 -9.080 -1.901) 20.273 1.636 ( 3.878 -18.252 -0.464) 18.665 1.813 ( 5.170 11.814 6.022) 14.232 1.995 ( 0.216 -6.646 -0.045) 6.650 2.113 ( 9.218 3.252 -6.177) 11.563 2.166 ( 7.180 -2.352 -5.418) 9.297 2.339 ( 6.865 2.293 -8.797) 11.392 2.358 ( 6.384 0.053 -6.979) 9.458 2.564 ( 6.609 3.834 -2.398) 8.008 2.638 ( 2.812 -3.222 -0.596) 4.318 2.745 ( 19.682 4.056 11.323) 23.066 2.797 ( 21.351 -3.265 6.230) 22.480 3.007 ( 2.088 11.119 5.845) 12.734 3.181 ( 14.918 1.906 -1.505) 15.114 3.246 ( 14.602 -3.060 -6.334) 16.208 3.371 ( -1.176 -22.409 8.630) 24.042 3.774 ( 0.854 2.268 5.242) 5.775 3.816 ( -0.522 -1.915 5.530) 5.876 4.186 ( -3.766 8.040 -0.898) 8.924 4.270 ( -0.836 10.927 0.658) 10.978 4.347 ( -0.809 -7.439 3.601) 8.304 4.451 ( -0.903 -5.880 -4.354) 7.373 4.696 ( 0.499 0.309 3.707) 3.753 4.745 ( -2.915 -4.120 -4.307) 6.635 4.812 ( 0.263 4.716 2.081) 5.161 4.885 ( -0.050 -2.849 0.763) 2.950 5.030 ( 0.569 5.215 0.956) 5.332 5.107 ( -5.964 -0.403 -0.504) 5.999 5.144 ( -1.940 -2.810 2.190) 4.057 5.176 ( -5.338 -7.086 -1.378) 8.978 5.332 ( 4.694 3.070 2.737) 6.241 5.414 ( 2.205 2.755 1.227) 3.736 5.424 ( 5.211 0.580 -2.385) 5.760 5.553 ( -1.736 -5.441 -0.204) 5.715 6.838 ( 3.607 2.225 1.073) 4.372 6.889 ( 2.844 -3.561 1.595) 4.828 7.083 ( -4.591 7.267 -3.505) 9.283 7.184 ( -3.747 -3.327 -3.374) 6.041 8.137 ( 3.226 2.519 -0.877) 4.185 8.214 ( 1.916 -4.501 -0.402) 4.908 8.291 ( 8.465 1.981 -0.159) 8.695 8.343 ( 4.076 -2.503 0.088) 4.784 8.539 ( 4.044 4.923 -0.515) 6.391 8.607 ( 6.176 -1.444 0.991) 6.419 8.631 ( 6.141 -0.273 -1.625) 6.358 8.646 ( 8.004 -0.821 -0.245) 8.050 10.961 ( -0.619 0.962 0.956) 1.491 10.992 ( -0.170 -2.137 0.926) 2.335 11.086 ( -3.645 2.739 -1.587) 4.828 11.138 ( -3.841 -2.589 -1.687) 4.930 11.435 ( -8.372 2.126 -1.663) 8.796 11.483 ( -6.902 -3.031 -1.818) 7.754 11.579 ( -6.170 0.927 0.031) 6.239 11.596 ( -5.870 -0.756 0.768) 5.968 12.523 ( 2.342 1.437 0.271) 2.761 12.534 ( 2.491 0.305 1.388) 2.868 12.628 ( 4.541 0.613 -0.456) 4.605 12.635 ( 4.578 -0.127 -1.075) 4.704 13.935 ( 0.260 3.803 -1.569) 4.122 14.019 ( -0.947 -4.253 -0.663) 4.407 14.050 ( -2.143 2.823 0.405) 3.567 14.117 ( -3.170 -3.696 1.107) 4.993 14.501 ( 12.814 2.836 1.182) 13.178 14.533 ( 12.161 -0.306 0.584) 12.178 14.667 ( 14.015 1.805 -1.519) 14.212 14.735 ( 19.942 -6.445 -6.373) 21.905 16.228 ( 4.731 0.633 0.335) 4.785 16.238 ( 4.937 -0.783 0.163) 5.001 16.278 ( 3.139 0.493 0.188) 3.183 16.300 ( 2.150 -1.581 -0.496) 2.714 17.223 ( -12.574 3.456 -0.044) 13.040 17.258 ( -13.934 0.035 -1.602) 14.025 17.381 ( -14.803 0.702 0.121) 14.820 17.398 ( -13.828 -0.931 -0.755) 13.880 20.004 ( 3.559 -0.068 -1.643) 3.921 20.025 ( 4.346 -2.391 -1.133) 5.088 20.259 ( 7.217 0.678 0.979) 7.315 20.284 ( 7.733 -1.820 0.678) 7.974 22.769 ( -0.040 5.154 -0.154) 5.156 22.855 ( -0.273 -3.733 0.041) 3.743 22.890 ( -4.564 5.315 -2.367) 7.395 22.962 ( -2.710 -2.581 -1.263) 3.950 25.474 ( 19.698 1.182 0.958) 19.757 25.502 ( 22.124 -1.737 2.151) 22.296 25.637 ( 29.920 6.884 -2.961) 30.844 25.826 ( 43.932 -14.791 -8.254) 47.084 29.634 ( -0.884 4.575 1.260) 4.827 29.685 ( -2.268 0.532 -0.585) 2.401 29.734 ( 0.123 -0.476 -0.430) 0.653 29.758 ( 0.143 -2.133 -1.866) 2.838 31.109 ( 0.877 6.829 -2.067) 7.189 31.226 ( -0.773 -4.846 -1.925) 5.272 31.650 ( -9.118 18.031 -17.502) 26.732 31.902 ( -8.530 -9.765 -14.377) 19.360 33.125 ( -1.842 4.892 6.826) 8.598 33.243 ( -0.244 -7.930 5.772) 9.811 33.469 ( -6.091 0.535 -2.135) 6.477 33.474 ( -6.081 -0.087 -1.793) 6.340 35.989 ( -0.831 2.999 11.224) 11.648 36.072 ( -1.982 -6.454 14.027) 15.567 36.465 ( -1.312 2.796 -1.224) 3.322 36.533 ( -1.673 -4.550 -1.931) 5.218 37.480 ( -6.019 9.328 2.571) 11.395 37.610 ( -6.455 -3.915 1.736) 7.746 38.333 ( -16.857 12.361 1.642) 20.968 38.581 ( -11.821 -13.753 -1.761) 18.220 ======================= Grid point 79 (43/84) ======================= q-point: ( 0.18 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 7.499 11.735 5.736) 15.061 1.550 ( 12.453 2.930 4.018) 13.409 1.640 ( 1.681 -3.612 -3.958) 5.615 1.777 ( 12.872 -3.085 -6.489) 14.741 2.028 ( 6.121 0.330 1.112) 6.230 2.094 ( 9.062 -5.329 -1.667) 10.644 2.232 ( 6.335 3.028 -5.969) 9.215 2.282 ( 5.999 -1.414 -8.053) 10.141 2.497 ( 8.392 0.896 -5.019) 9.819 2.535 ( 11.059 -2.577 -4.960) 12.391 2.751 ( 13.523 5.077 4.804) 15.223 2.796 ( 13.567 0.208 6.529) 15.058 2.990 ( -0.876 9.221 5.345) 10.694 3.144 ( 6.602 -4.473 4.001) 8.922 3.254 ( 18.075 3.084 6.778) 19.549 3.405 ( 3.779 -6.736 2.477) 8.111 3.437 ( 9.450 -2.652 1.555) 9.937 3.486 ( 8.803 -4.626 -1.497) 10.057 3.806 ( 0.351 -0.643 5.463) 5.512 3.865 ( 4.584 -6.984 3.744) 9.154 4.181 ( 3.594 9.259 -7.895) 12.687 4.244 ( -2.053 9.294 3.695) 10.210 4.336 ( -1.470 -6.594 -5.603) 8.777 4.431 ( -3.770 -8.423 2.742) 9.627 4.697 ( 4.015 2.670 -0.007) 4.822 4.724 ( 1.176 -0.372 0.070) 1.235 4.866 ( 4.114 4.249 -0.827) 5.972 4.874 ( -2.240 6.540 -1.381) 7.049 4.951 ( 0.778 -2.706 0.323) 2.834 5.019 ( -2.854 -6.338 -1.269) 7.066 5.143 ( 4.482 -1.321 0.525) 4.702 5.167 ( 1.158 -2.152 2.002) 3.159 5.432 ( 4.761 6.452 4.746) 9.318 5.513 ( 5.268 -0.609 0.785) 5.361 5.573 ( 8.668 -0.420 -1.343) 8.781 5.602 ( 8.861 -1.984 -2.946) 9.546 6.971 ( 10.234 1.435 0.391) 10.342 7.002 ( 8.935 -1.459 -0.474) 9.066 7.070 ( 3.872 4.209 -0.040) 5.719 7.154 ( 2.257 -4.027 -0.338) 4.629 8.209 ( 2.895 0.831 -0.804) 3.117 8.243 ( 1.545 -2.484 -0.962) 3.079 8.375 ( 0.158 1.725 0.304) 1.759 8.407 ( 2.907 -1.388 0.864) 3.335 8.688 ( 10.714 2.713 -1.158) 11.112 8.733 ( 9.752 -1.872 -0.503) 9.943 8.862 ( 13.990 2.624 -0.413) 14.240 8.892 ( 14.049 -0.453 0.796) 14.079 10.838 ( -12.287 2.220 1.035) 12.528 10.884 ( -11.524 -2.060 1.100) 11.758 10.919 ( -12.559 2.246 -0.824) 12.785 10.967 ( -12.927 -2.380 -1.364) 13.215 11.329 ( 0.915 4.159 -1.361) 4.471 11.415 ( 2.519 -4.944 -1.479) 5.742 11.538 ( 3.087 2.225 -0.982) 3.930 11.583 ( 3.752 -2.371 -0.435) 4.459 12.556 ( 1.058 2.132 0.094) 2.382 12.573 ( 1.111 0.606 1.074) 1.659 12.683 ( 1.211 -0.034 -0.345) 1.260 12.697 ( 1.386 -1.346 -0.274) 1.951 13.967 ( 0.459 3.581 -1.756) 4.015 14.048 ( 4.707 -4.708 -2.356) 7.062 14.083 ( -1.273 2.496 1.400) 3.133 14.127 ( 4.898 -2.262 2.159) 5.811 14.708 ( 8.075 3.402 0.362) 8.770 14.771 ( 9.496 -1.219 1.381) 9.673 14.851 ( 4.718 2.369 -0.814) 5.342 14.983 ( 4.892 -10.325 -4.125) 12.147 16.325 ( 2.123 1.375 -1.273) 2.832 16.343 ( 2.574 0.422 0.507) 2.657 16.349 ( 2.495 -1.175 -0.648) 2.832 16.375 ( 3.431 -3.017 1.432) 4.788 16.864 ( -20.848 2.593 -0.464) 21.014 16.895 ( -19.855 -0.486 -0.756) 19.875 17.004 ( -20.574 1.443 0.409) 20.628 17.038 ( -20.104 -1.657 0.143) 20.173 20.164 ( 13.152 1.366 -2.145) 13.396 20.196 ( 13.441 -1.810 -2.552) 13.800 20.474 ( 13.991 0.971 0.440) 14.032 20.508 ( 14.108 -2.463 0.538) 14.331 22.744 ( -2.961 4.988 -0.852) 5.862 22.795 ( -4.607 5.239 -0.433) 6.989 22.832 ( -2.525 -3.447 -0.235) 4.279 22.886 ( -4.669 -3.697 0.092) 5.956 26.014 ( 31.944 3.787 2.219) 32.244 26.096 ( 34.215 -4.816 4.410) 34.832 26.347 ( 37.320 15.910 -4.831) 40.857 26.728 ( 41.432 -25.963 -12.554) 50.480 29.594 ( -3.394 3.823 1.557) 5.344 29.623 ( -3.930 2.178 -1.015) 4.607 29.718 ( -1.999 -0.454 -0.105) 2.052 29.753 ( -0.951 -3.171 -2.938) 4.426 31.152 ( 3.766 5.060 -2.682) 6.854 31.227 ( 1.614 -2.016 -2.805) 3.813 31.476 ( -5.892 14.373 -6.446) 16.818 31.707 ( -8.654 -9.859 -8.238) 15.491 33.046 ( -6.233 5.801 6.571) 10.756 33.171 ( -6.904 -7.356 5.207) 11.353 33.295 ( -11.045 0.139 -3.120) 11.478 33.297 ( -10.800 -0.372 -1.715) 10.942 35.976 ( -0.999 2.240 9.910) 10.209 36.032 ( -2.406 -4.010 12.287) 13.147 36.431 ( -1.799 2.478 -2.331) 3.848 36.487 ( -2.638 -3.609 -2.722) 5.234 37.348 ( -6.452 7.355 2.206) 10.030 37.463 ( -7.572 -4.506 1.574) 8.951 37.989 ( -15.912 16.814 0.215) 23.150 38.279 ( -16.587 -14.183 -2.245) 21.939 ======================= Grid point 80 (44/84) ======================= q-point: ( 0.27 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 12.678 1.417 5.169) 13.764 1.637 ( 4.808 -6.857 -1.941) 8.597 1.861 ( 12.530 8.848 3.271) 15.684 1.996 ( 8.703 -3.275 -2.837) 9.722 2.157 ( 7.024 3.437 -1.365) 7.938 2.199 ( 6.777 0.061 -1.178) 6.879 2.345 ( 4.340 0.668 -8.298) 9.388 2.414 ( 7.078 -4.148 -8.800) 12.031 2.659 ( 7.322 2.039 -1.748) 7.799 2.735 ( 8.517 -6.211 0.962) 10.585 2.968 ( -0.323 6.820 6.090) 9.149 3.021 ( 5.554 0.200 4.124) 6.920 3.094 ( 12.865 1.079 5.450) 14.013 3.167 ( 0.744 -6.669 7.351) 9.954 3.405 ( -1.677 0.640 1.422) 2.289 3.453 ( 2.929 -1.850 -4.399) 5.599 3.571 ( 4.940 0.729 4.104) 6.463 3.606 ( 0.829 -4.489 -2.653) 5.280 3.799 ( -0.738 5.580 4.086) 6.956 3.945 ( 2.582 -7.007 3.567) 8.275 4.158 ( -3.932 5.682 1.987) 7.190 4.222 ( -3.560 -0.161 -2.603) 4.413 4.237 ( -8.379 0.311 -3.322) 9.019 4.291 ( -6.506 -4.520 -2.064) 8.187 4.718 ( -0.560 5.099 -1.391) 5.315 4.777 ( 2.531 -1.655 2.145) 3.708 4.898 ( 2.820 5.291 -1.463) 6.171 4.992 ( 1.693 -2.723 0.080) 3.207 5.027 ( 5.237 2.836 -2.505) 6.461 5.089 ( 8.867 -1.756 -0.077) 9.040 5.207 ( 2.577 0.915 2.360) 3.612 5.257 ( 5.839 -4.211 -0.797) 7.243 5.557 ( 7.065 3.803 3.599) 8.794 5.608 ( 5.908 -1.377 0.508) 6.088 5.791 ( 10.840 2.489 -2.274) 11.353 5.839 ( 13.005 -2.542 -2.802) 13.544 7.223 ( 12.971 3.311 1.317) 13.451 7.264 ( 17.122 1.170 -1.183) 17.203 7.273 ( 15.954 -1.247 -0.493) 16.010 7.311 ( 13.868 -4.343 0.332) 14.536 8.244 ( 1.322 1.222 -0.452) 1.856 8.288 ( 2.541 -3.480 -0.728) 4.370 8.375 ( 0.582 3.874 0.407) 3.939 8.446 ( 1.538 -3.450 0.898) 3.883 8.960 ( 15.828 3.162 -1.735) 16.234 9.007 ( 16.627 -1.819 -0.652) 16.738 9.153 ( 14.762 3.039 -0.213) 15.073 9.193 ( 15.245 -1.213 2.149) 15.444 10.534 ( -16.046 3.094 0.905) 16.367 10.584 ( -16.252 -0.850 0.389) 16.279 10.629 ( -15.292 0.131 0.055) 15.293 10.664 ( -15.751 -2.312 -1.632) 16.003 11.456 ( 10.721 5.031 -0.758) 11.867 11.546 ( 9.728 -4.318 -1.872) 10.806 11.688 ( 11.253 1.554 -0.336) 11.365 11.725 ( 10.081 -1.961 -0.309) 10.274 12.575 ( 0.788 1.161 -0.016) 1.403 12.583 ( 0.049 0.400 1.225) 1.290 12.695 ( 0.287 -0.715 -0.369) 0.854 12.703 ( -0.337 -1.431 -0.422) 1.529 13.936 ( -3.899 8.843 -2.229) 9.918 14.000 ( -6.396 8.479 2.826) 10.990 14.109 ( -0.941 -8.789 -3.345) 9.451 14.160 ( -2.923 -7.970 2.744) 8.921 14.838 ( 3.688 2.320 -0.176) 4.361 14.895 ( 2.517 -3.352 0.667) 4.245 14.905 ( 0.484 3.574 -0.489) 3.640 14.999 ( -2.055 -6.166 -1.162) 6.602 16.180 ( -18.819 0.823 -1.390) 18.888 16.193 ( -16.934 -0.536 -1.497) 17.008 16.225 ( -15.115 1.563 1.260) 15.248 16.259 ( -15.594 -1.982 1.299) 15.773 16.587 ( -4.632 2.424 0.104) 5.229 16.628 ( -4.509 -1.670 0.759) 4.868 16.673 ( -9.557 1.719 0.531) 9.725 16.725 ( -8.516 -3.543 -0.487) 9.237 20.525 ( 21.652 1.811 -1.637) 21.789 20.560 ( 21.845 -1.817 -2.430) 22.055 20.810 ( 18.615 0.843 0.307) 18.637 20.837 ( 17.870 -1.825 0.276) 17.965 22.645 ( -6.562 4.742 -0.469) 8.110 22.689 ( -6.503 3.606 -0.826) 7.482 22.739 ( -6.700 -3.386 0.187) 7.509 22.772 ( -6.878 -3.357 0.499) 7.670 26.696 ( 33.956 5.239 2.779) 34.470 26.806 ( 34.192 -6.306 5.070) 35.136 27.051 ( 31.594 17.112 -4.352) 36.193 27.421 ( 27.842 -22.604 -9.855) 37.191 29.489 ( -7.095 3.804 0.699) 8.081 29.521 ( -6.343 1.369 -0.086) 6.490 29.644 ( -5.297 0.829 -0.113) 5.363 29.703 ( -3.880 -4.503 -3.724) 7.014 31.265 ( 7.627 4.115 -2.991) 9.168 31.309 ( 7.001 -0.257 -2.757) 7.529 31.444 ( 3.283 7.518 -0.226) 8.207 31.594 ( -1.289 -7.275 -3.094) 8.010 32.886 ( -10.025 5.121 6.476) 12.987 32.973 ( -13.157 -3.238 2.887) 13.853 33.029 ( -14.357 0.871 -3.537) 14.812 33.062 ( -11.822 -3.492 -0.678) 12.346 35.964 ( -0.641 1.467 8.035) 8.193 35.997 ( -1.609 -2.093 9.571) 9.928 36.396 ( -1.331 1.471 -3.512) 4.034 36.429 ( -2.773 -2.056 -3.538) 4.943 37.237 ( -4.461 4.966 1.670) 6.881 37.324 ( -5.988 -3.926 1.465) 7.309 37.707 ( -11.957 13.964 -0.872) 18.405 37.950 ( -15.167 -11.845 -2.613) 19.421 ======================= Grid point 81 (45/84) ======================= q-point: ( 0.36 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 7.427 0.969 -0.946) 7.549 1.816 ( 10.401 -3.040 1.543) 10.945 2.048 ( 7.689 5.047 2.927) 9.652 2.169 ( 7.970 -4.645 2.478) 9.552 2.300 ( 8.675 8.978 -2.560) 12.744 2.412 ( 9.188 -2.687 -3.209) 10.096 2.461 ( 10.073 4.099 -5.158) 12.036 2.558 ( 8.383 -3.801 -4.216) 10.123 2.775 ( 3.807 0.982 2.464) 4.639 2.857 ( 2.422 -8.532 5.473) 10.422 2.946 ( -1.769 2.451 2.166) 3.719 3.033 ( -0.696 -4.771 1.490) 5.047 3.159 ( -3.006 3.692 6.491) 8.050 3.249 ( 0.972 -4.925 4.279) 6.597 3.338 ( -3.710 2.341 -1.779) 4.733 3.464 ( -2.679 -9.922 -6.021) 11.911 3.601 ( 0.067 1.825 0.294) 1.849 3.637 ( 1.493 -1.526 1.985) 2.915 3.801 ( 1.659 10.219 2.917) 10.756 3.961 ( -1.110 -4.105 -1.402) 4.477 4.039 ( -8.620 4.120 1.906) 9.742 4.067 ( -6.794 -1.447 -0.626) 6.975 4.109 ( -4.763 2.487 -1.184) 5.503 4.208 ( -1.811 -6.064 -0.903) 6.393 4.742 ( 2.346 7.743 -1.730) 8.273 4.839 ( 3.258 -2.357 1.076) 4.163 4.921 ( -0.008 4.581 0.024) 4.581 4.984 ( -1.284 -2.429 0.604) 2.813 5.080 ( 0.331 4.705 0.357) 4.731 5.180 ( 0.511 -4.654 -1.919) 5.060 5.270 ( 2.851 2.454 1.727) 4.139 5.341 ( 2.401 -4.473 -0.974) 5.169 5.675 ( 3.988 4.620 1.608) 6.312 5.747 ( 6.284 -2.828 -1.689) 7.095 5.962 ( 5.829 4.274 -0.872) 7.280 6.054 ( 7.656 -5.108 -2.865) 9.640 7.526 ( 14.916 2.491 1.410) 15.188 7.581 ( 13.362 -3.239 0.029) 13.748 7.612 ( 15.454 2.686 -1.352) 15.744 7.657 ( 16.393 -2.047 -0.325) 16.523 8.276 ( 2.545 2.341 -1.065) 3.618 8.334 ( 2.007 -3.907 -0.768) 4.459 8.430 ( 4.775 3.159 1.055) 5.821 8.486 ( 2.340 -2.522 0.901) 3.556 9.292 ( 16.118 4.528 -1.977) 16.858 9.363 ( 17.478 -2.545 -0.364) 17.666 9.445 ( 13.120 2.000 0.120) 13.272 9.489 ( 13.218 -2.145 2.514) 13.625 10.241 ( -12.206 2.397 1.547) 12.535 10.281 ( -12.843 -1.089 0.660) 12.906 10.329 ( -13.743 0.617 -0.506) 13.767 10.363 ( -13.236 -2.221 -2.434) 13.640 11.752 ( 18.481 2.897 -0.174) 18.708 11.805 ( 16.201 -2.580 -1.371) 16.462 11.976 ( 16.872 0.485 -0.334) 16.883 11.989 ( 16.115 -0.715 -0.247) 16.133 12.568 ( -1.429 1.540 0.981) 2.319 12.581 ( -1.351 0.469 -0.030) 1.430 12.687 ( -0.919 -0.847 0.610) 1.391 12.697 ( -0.870 -1.595 -1.385) 2.285 13.810 ( -7.825 10.061 -1.914) 12.888 13.842 ( -8.827 9.725 2.016) 13.287 14.001 ( -8.898 -9.911 -2.255) 13.509 14.021 ( -10.143 -9.119 2.405) 13.849 14.743 ( -15.836 4.640 0.640) 16.514 14.777 ( -11.725 5.230 -0.872) 12.869 14.841 ( -11.097 -5.077 1.240) 12.266 14.889 ( -8.294 -6.201 -1.002) 10.404 15.872 ( -6.967 1.153 -1.478) 7.215 15.894 ( -7.996 -1.158 -1.304) 8.184 15.964 ( -5.906 0.621 0.951) 6.015 15.975 ( -7.517 -0.589 0.800) 7.583 16.514 ( -4.110 2.266 0.944) 4.787 16.542 ( -5.402 0.935 -0.542) 5.509 16.559 ( -4.317 -1.177 1.145) 4.619 16.590 ( -6.900 -3.126 -0.116) 7.576 20.983 ( 22.414 2.040 -0.975) 22.528 21.023 ( 22.636 -2.121 -1.334) 22.774 21.189 ( 17.743 0.404 0.036) 17.747 21.202 ( 17.379 -0.756 0.210) 17.397 22.489 ( -8.420 3.544 -0.379) 9.144 22.528 ( -8.889 2.330 -1.022) 9.246 22.570 ( -9.774 -2.358 0.824) 10.088 22.602 ( -9.842 -2.883 0.244) 10.258 27.334 ( 27.810 4.418 2.322) 28.254 27.424 ( 25.383 -4.945 4.448) 26.240 27.599 ( 22.732 12.529 -3.222) 26.155 27.854 ( 15.757 -14.531 -5.631) 22.162 29.320 ( -9.125 3.205 0.626) 9.691 29.362 ( -9.123 -0.933 0.594) 9.190 29.517 ( -6.663 3.261 -0.629) 7.445 29.602 ( -5.243 -5.440 -3.866) 8.487 31.453 ( 10.922 3.548 -1.273) 11.554 31.497 ( 10.863 -1.322 -1.920) 11.111 31.594 ( 10.705 3.170 0.425) 11.173 31.662 ( 7.747 -3.733 -0.590) 8.620 32.634 ( -15.267 2.135 2.675) 15.646 32.661 ( -16.953 -0.841 -0.129) 16.974 32.754 ( -11.817 3.112 -1.258) 12.285 32.825 ( -11.651 -4.335 1.812) 12.563 35.959 ( -0.372 0.952 6.380) 6.462 35.978 ( -0.834 -1.100 7.216) 7.347 36.375 ( -1.092 0.161 -4.597) 4.728 36.379 ( -1.200 -0.310 -3.736) 3.936 37.170 ( -2.335 3.016 1.549) 4.117 37.228 ( -3.537 -2.903 1.737) 4.894 37.508 ( -7.617 9.928 -1.181) 12.569 37.684 ( -10.647 -8.702 -2.589) 13.992 ======================= Grid point 82 (46/84) ======================= q-point: ( 0.45 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 1.591 3.973 -0.831) 4.360 1.929 ( 1.856 -1.832 -2.525) 3.630 2.246 ( 8.458 2.798 4.420) 9.945 2.299 ( 5.833 -2.175 1.450) 6.392 2.449 ( 3.395 7.469 0.898) 8.254 2.505 ( -0.812 0.162 -0.540) 0.989 2.671 ( 8.346 2.758 0.893) 8.835 2.727 ( 5.287 4.295 2.377) 7.214 2.826 ( 0.565 -6.259 2.908) 6.925 2.858 ( 1.638 -8.358 4.526) 9.645 2.922 ( -0.271 1.751 -3.320) 3.764 2.987 ( -4.442 -1.005 1.119) 4.690 3.124 ( 1.270 -2.547 2.092) 3.532 3.194 ( -4.944 -7.111 -0.391) 8.670 3.282 ( -0.830 -0.155 -3.170) 3.280 3.384 ( -4.019 -9.204 -3.415) 10.608 3.590 ( 0.336 6.020 2.706) 6.609 3.658 ( 0.222 -1.451 2.627) 3.009 3.847 ( 1.396 7.741 0.198) 7.868 3.880 ( -5.213 1.868 -1.444) 5.723 3.895 ( -5.019 1.710 2.211) 5.745 3.992 ( -0.158 -5.386 -3.915) 6.660 4.060 ( -0.385 5.809 -1.226) 5.950 4.198 ( 0.328 -7.728 1.610) 7.900 4.784 ( 1.710 10.270 -0.221) 10.414 4.888 ( 0.159 0.430 0.724) 0.857 4.910 ( -1.082 3.647 -0.357) 3.821 4.960 ( 0.026 -2.541 0.236) 2.552 5.077 ( -0.294 2.310 1.567) 2.807 5.163 ( -1.258 -6.203 -0.959) 6.402 5.310 ( 1.281 1.672 -0.366) 2.138 5.373 ( 1.327 -4.513 -0.816) 4.774 5.718 ( 0.528 6.376 0.233) 6.402 5.829 ( 2.095 -5.204 -1.733) 5.871 6.034 ( 1.663 5.236 -0.149) 5.496 6.144 ( 1.701 -6.196 -3.196) 7.176 7.738 ( 4.272 1.288 0.568) 4.498 7.763 ( 5.861 -1.017 0.303) 5.956 7.851 ( 4.869 0.414 0.129) 4.889 7.858 ( 4.985 -0.152 -1.445) 5.192 8.356 ( 4.284 2.122 -1.056) 4.896 8.393 ( 3.938 -1.672 0.071) 4.279 8.503 ( 0.249 2.123 0.984) 2.353 8.528 ( 1.703 -0.432 0.352) 1.792 9.560 ( 8.201 3.132 0.159) 8.780 9.619 ( 3.982 -1.853 0.580) 4.431 9.651 ( 8.461 1.188 0.821) 8.583 9.697 ( 7.342 -2.444 -1.395) 7.863 10.044 ( -8.743 2.110 2.712) 9.394 10.092 ( -6.026 -2.909 1.988) 6.980 10.123 ( -4.224 2.020 -2.360) 5.243 10.170 ( -3.962 -2.889 -2.816) 5.655 12.158 ( 19.244 0.949 -0.307) 19.269 12.177 ( 18.710 -1.065 -0.400) 18.745 12.331 ( 15.714 0.584 -0.220) 15.726 12.336 ( 15.520 0.001 -0.475) 15.527 12.485 ( -8.167 1.274 -0.501) 8.281 12.494 ( -7.541 0.326 0.394) 7.558 12.628 ( -5.817 -0.303 -0.819) 5.882 12.639 ( -5.647 -1.472 0.613) 5.868 13.641 ( -7.782 7.809 0.810) 11.054 13.683 ( -4.913 7.779 -0.795) 9.235 13.786 ( -9.592 -7.469 1.354) 12.232 13.833 ( -5.913 -8.003 -1.332) 10.040 14.403 ( -11.870 9.179 1.539) 15.084 14.512 ( -9.215 10.287 -1.269) 13.868 14.587 ( -9.098 -9.711 1.999) 13.457 14.707 ( -6.273 -9.758 -1.411) 11.686 15.854 ( 1.651 0.229 -2.160) 2.728 15.860 ( 1.578 -0.393 -2.164) 2.707 15.962 ( 2.963 0.498 1.738) 3.471 15.972 ( 3.195 -0.587 1.910) 3.769 16.412 ( -4.995 0.933 -0.113) 5.082 16.438 ( -6.348 -1.626 -0.568) 6.578 16.462 ( -1.915 0.835 0.700) 2.204 16.478 ( -2.675 -0.694 0.898) 2.905 21.364 ( 13.023 1.635 -0.128) 13.125 21.388 ( 10.108 -0.775 0.785) 10.168 21.473 ( 7.503 0.347 -0.057) 7.511 21.486 ( 10.740 -1.038 -1.869) 10.951 22.342 ( -4.708 1.618 0.360) 4.992 22.370 ( -5.611 1.980 -0.401) 5.964 22.375 ( -7.307 -1.834 0.701) 7.566 22.407 ( -7.388 -1.866 -0.747) 7.657 27.755 ( 10.790 2.459 2.620) 11.372 27.796 ( 11.699 -1.858 1.878) 11.993 27.954 ( 11.613 4.321 -1.992) 12.550 28.045 ( 2.855 -5.101 -2.484) 6.351 29.162 ( -5.024 1.470 0.960) 5.322 29.193 ( -5.990 -1.712 1.270) 6.358 29.405 ( -3.520 5.550 -1.394) 6.718 29.519 ( -2.151 -6.477 -3.779) 7.801 31.671 ( 8.867 1.348 1.111) 9.037 31.696 ( 7.139 -1.261 0.608) 7.275 31.825 ( 9.994 1.876 -1.434) 10.269 31.858 ( 9.110 -1.609 -1.206) 9.329 32.323 ( -13.374 0.485 -0.820) 13.408 32.330 ( -13.815 -0.313 -1.314) 13.881 32.568 ( -5.316 2.969 1.550) 6.283 32.620 ( -7.272 -2.524 1.873) 7.922 35.955 ( -0.330 0.747 5.355) 5.417 35.970 ( -0.436 -0.772 5.840) 5.907 36.350 ( -0.376 1.413 -4.244) 4.489 36.376 ( 0.470 -1.358 -4.350) 4.581 37.144 ( -0.314 1.983 1.854) 2.733 37.186 ( -0.707 -2.217 2.299) 3.270 37.400 ( -2.991 7.193 -1.421) 7.919 37.528 ( -4.405 -6.388 -2.738) 8.228 ======================= Grid point 83 (47/84) ======================= q-point: (-0.45 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( -0.481 2.479 -0.954) 2.700 1.914 ( -2.812 -1.394 -2.746) 4.170 2.228 ( -9.292 7.593 4.375) 12.773 2.354 ( -12.164 -3.471 2.996) 12.999 2.369 ( -3.594 4.060 -0.831) 5.486 2.462 ( -0.735 -4.052 -0.994) 4.236 2.715 ( -0.767 9.200 3.485) 9.868 2.757 ( -3.652 -1.009 4.445) 5.841 2.806 ( -1.128 -2.970 -3.537) 4.754 2.866 ( -1.127 -1.659 5.833) 6.168 2.989 ( -0.129 0.024 1.522) 1.527 3.013 ( 6.127 -1.177 -1.696) 6.465 3.050 ( -3.249 -4.135 -0.650) 5.299 3.115 ( -2.981 -7.554 -0.885) 8.169 3.349 ( 2.842 -2.164 -0.869) 3.677 3.398 ( 9.846 -7.370 -2.011) 12.462 3.619 ( -2.335 1.654 -0.502) 2.905 3.634 ( -0.658 0.775 2.194) 2.418 3.822 ( 1.355 7.944 1.203) 8.148 3.853 ( -0.093 6.143 1.297) 6.279 3.888 ( 3.626 -1.812 -0.637) 4.103 4.002 ( 0.702 -6.920 -1.824) 7.191 4.082 ( 2.755 6.086 -1.476) 6.842 4.221 ( 2.152 -7.621 1.413) 8.044 4.819 ( 1.982 13.115 0.718) 13.283 4.843 ( -3.618 2.490 -0.201) 4.396 4.863 ( -3.090 1.598 -1.662) 3.855 4.991 ( 1.646 -1.647 1.624) 2.839 5.069 ( -0.779 0.156 0.719) 1.072 5.147 ( -0.154 -8.950 -1.575) 9.089 5.327 ( 0.479 2.428 -0.069) 2.476 5.398 ( 0.945 -4.407 0.097) 4.508 5.709 ( -1.308 7.848 -0.239) 7.960 5.844 ( -0.375 -5.962 -0.741) 6.020 6.031 ( -2.162 4.246 -0.413) 4.783 6.125 ( -3.296 -5.439 -3.843) 7.430 7.734 ( -4.862 0.364 0.372) 4.889 7.742 ( -7.862 -0.586 0.028) 7.884 7.841 ( -3.677 3.147 -0.763) 4.900 7.892 ( -3.130 -2.092 -0.125) 3.767 8.393 ( -3.781 1.807 -0.754) 4.258 8.411 ( -0.163 -0.005 0.637) 0.657 8.481 ( -2.536 1.626 1.018) 3.180 8.510 ( -2.851 -1.242 -0.191) 3.116 9.519 ( -9.467 1.929 -0.597) 9.680 9.562 ( -9.194 -2.560 -0.223) 9.547 9.732 ( -6.359 2.616 1.494) 7.037 9.774 ( -1.068 -1.941 0.955) 2.413 9.965 ( 6.022 2.842 -0.113) 6.660 10.029 ( 1.671 -3.805 -0.516) 4.188 10.166 ( 6.934 2.207 -0.432) 7.289 10.215 ( 7.196 -2.913 -0.718) 7.796 12.177 ( -19.633 0.458 0.296) 19.641 12.185 ( -16.819 -0.374 -0.250) 16.825 12.307 ( -16.130 0.655 -0.867) 16.167 12.315 ( -17.700 -0.294 -0.988) 17.730 12.467 ( 6.654 1.827 -0.406) 6.912 12.503 ( 8.226 -1.857 0.082) 8.434 12.613 ( 4.760 2.551 -0.359) 5.412 12.665 ( 6.956 -2.768 0.404) 7.497 13.617 ( 5.882 7.115 -0.010) 9.231 13.702 ( 6.095 7.966 -0.070) 10.030 13.756 ( 7.202 -6.863 0.127) 9.949 13.861 ( 8.422 -8.096 -0.139) 11.683 14.403 ( 11.897 8.830 1.444) 14.886 14.520 ( 10.058 10.813 -1.031) 14.804 14.581 ( 8.502 -9.730 1.669) 13.029 14.718 ( 7.366 -9.907 -0.956) 12.383 15.856 ( -0.929 0.151 -1.953) 2.168 15.860 ( -1.384 -0.258 -2.136) 2.558 15.975 ( -2.873 0.128 2.042) 3.527 15.978 ( -3.060 -0.205 1.830) 3.571 16.385 ( 3.071 0.527 -0.399) 3.142 16.404 ( 4.090 -1.495 -0.670) 4.406 16.483 ( 3.314 1.107 0.771) 3.578 16.500 ( 4.505 -0.738 0.816) 4.637 21.351 ( -11.945 0.653 -0.515) 11.974 21.361 ( -12.987 -0.271 0.065) 12.990 21.485 ( -6.932 2.243 -0.199) 7.288 21.530 ( -8.299 -2.438 -0.259) 8.653 22.315 ( 3.649 1.471 -0.315) 3.947 22.342 ( 5.787 -1.234 -0.233) 5.922 22.399 ( 7.039 1.193 0.250) 7.144 22.426 ( 7.809 -1.557 -0.064) 7.963 27.747 ( -10.932 3.825 2.163) 11.782 27.811 ( -12.293 -2.813 2.439) 12.845 27.962 ( -10.253 3.578 -1.513) 10.964 28.043 ( -2.178 -4.892 -2.798) 6.041 29.167 ( 5.062 0.600 0.835) 5.166 29.187 ( 5.683 -1.397 1.447) 6.029 29.400 ( 3.167 6.626 -1.765) 7.553 29.528 ( 3.381 -7.058 -3.386) 8.527 31.690 ( -7.177 2.927 1.529) 7.900 31.734 ( -4.844 -1.691 1.968) 5.495 31.822 ( -11.090 0.586 -1.693) 11.234 31.841 ( -9.357 -1.406 -1.819) 9.635 32.266 ( 8.565 1.183 -1.675) 8.807 32.287 ( 9.397 -0.970 -2.061) 9.669 32.606 ( 8.864 0.714 2.344) 9.196 32.615 ( 7.406 -0.153 1.198) 7.504 35.951 ( -0.373 0.763 5.138) 5.208 35.966 ( -0.229 -0.811 5.541) 5.604 36.357 ( 1.216 1.667 -3.964) 4.469 36.388 ( 0.934 -1.661 -3.890) 4.332 37.158 ( 1.460 2.232 2.390) 3.581 37.203 ( 2.230 -2.361 2.865) 4.330 37.388 ( 2.037 6.770 -1.722) 7.276 37.510 ( 2.850 -6.062 -3.523) 7.568 ======================= Grid point 84 (48/84) ======================= q-point: (-0.36 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -8.646 4.103 1.164) 9.641 1.853 ( -3.135 -2.992 0.755) 4.399 2.024 ( -9.427 2.204 0.678) 9.705 2.053 ( -15.365 1.502 -1.238) 15.487 2.204 ( -10.059 2.116 -1.561) 10.397 2.357 ( -10.234 -10.788 -5.972) 16.024 2.608 ( -8.167 7.034 3.630) 11.373 2.693 ( -5.229 0.360 -0.147) 5.243 2.755 ( -2.630 1.954 -6.629) 7.394 2.860 ( 1.912 -0.060 5.698) 6.011 2.934 ( -3.300 -0.180 2.909) 4.403 3.027 ( -2.742 -7.905 0.119) 8.368 3.059 ( -0.957 -0.884 4.532) 4.716 3.117 ( 0.252 -6.556 4.037) 7.703 3.485 ( 6.108 6.659 -1.522) 9.163 3.514 ( -0.198 0.421 -1.321) 1.401 3.517 ( -5.061 0.881 -2.792) 5.847 3.672 ( 7.661 -9.412 -1.503) 12.228 3.805 ( -1.717 9.052 7.234) 11.714 3.943 ( 1.721 -1.305 2.479) 3.288 3.980 ( 6.761 3.014 -1.024) 7.473 4.034 ( 3.905 -5.126 -1.502) 6.617 4.181 ( 6.841 4.155 -1.223) 8.097 4.300 ( 5.682 -6.773 1.355) 8.945 4.762 ( -4.077 1.969 0.057) 4.528 4.792 ( -3.664 0.100 -2.328) 4.342 4.865 ( 2.242 14.097 -0.287) 14.277 5.007 ( -0.439 0.321 1.263) 1.375 5.040 ( -2.337 -1.028 -0.280) 2.569 5.142 ( -0.801 -11.547 -2.637) 11.872 5.325 ( -0.916 3.967 2.153) 4.605 5.401 ( -0.831 -3.692 0.755) 3.859 5.654 ( -4.850 8.418 0.557) 9.731 5.795 ( -5.437 -6.040 0.834) 8.169 5.940 ( -6.598 3.404 -1.634) 7.602 6.010 ( -7.829 -3.885 -4.602) 9.878 7.490 ( -15.445 3.691 0.172) 15.881 7.555 ( -13.050 -3.162 -0.170) 13.429 7.653 ( -14.920 2.826 -0.296) 15.188 7.706 ( -15.236 -2.544 0.644) 15.460 8.317 ( -2.967 1.970 -0.758) 3.641 8.349 ( -4.252 -0.093 -0.332) 4.266 8.408 ( -3.449 0.040 0.804) 3.542 8.452 ( -2.503 -3.128 0.409) 4.027 9.260 ( -15.048 2.419 -1.669) 15.333 9.301 ( -15.615 -1.855 -1.537) 15.800 9.491 ( -15.002 4.913 2.023) 15.915 9.571 ( -15.902 -3.564 2.268) 16.453 10.199 ( 14.301 1.308 -0.050) 14.361 10.227 ( 15.534 -1.616 -0.471) 15.625 10.356 ( 11.691 3.525 -0.360) 12.216 10.420 ( 12.477 -3.223 -0.182) 12.888 11.776 ( -17.875 3.519 0.539) 18.226 11.843 ( -15.732 -3.463 -0.647) 16.122 11.916 ( -18.155 1.006 -1.500) 18.244 11.940 ( -16.942 -1.326 -1.488) 17.059 12.547 ( 1.635 1.783 0.139) 2.423 12.586 ( 1.030 -2.169 0.390) 2.432 12.669 ( 1.311 3.097 -0.478) 3.397 12.728 ( 0.410 -3.028 0.036) 3.056 13.767 ( 7.314 8.304 -1.141) 11.124 13.859 ( 7.929 6.979 0.378) 10.570 13.959 ( 9.986 -5.150 -0.311) 11.240 14.078 ( 10.596 -9.302 1.076) 14.140 14.743 ( 15.603 4.277 0.396) 16.183 14.799 ( 12.024 5.809 -0.259) 13.356 14.836 ( 12.085 -4.988 0.836) 13.101 14.919 ( 9.156 -6.510 0.043) 11.235 15.887 ( 7.540 1.200 -1.593) 7.799 15.911 ( 8.955 -1.280 -1.450) 9.161 15.953 ( 4.944 0.824 1.250) 5.166 15.967 ( 5.930 -0.728 1.024) 6.062 16.498 ( 6.494 1.099 0.394) 6.598 16.525 ( 6.288 -1.589 -0.043) 6.485 16.564 ( 3.699 1.783 0.477) 4.134 16.604 ( 4.801 -2.347 0.325) 5.354 20.983 ( -21.994 1.111 -0.729) 22.034 21.001 ( -20.912 -0.805 -1.768) 21.002 21.208 ( -18.181 0.780 0.445) 18.204 21.231 ( -18.816 -1.510 0.550) 18.884 22.459 ( 8.693 4.004 -0.824) 9.607 22.521 ( 9.717 -1.487 -1.032) 9.884 22.578 ( 9.231 0.551 0.820) 9.283 22.616 ( 9.461 -2.461 0.390) 9.783 27.338 ( -27.917 4.251 2.616) 28.359 27.403 ( -26.581 -1.537 2.617) 26.754 27.633 ( -21.681 9.696 -1.280) 23.785 27.879 ( -13.763 -15.518 -5.117) 21.364 29.315 ( 8.082 2.163 0.266) 8.371 29.356 ( 9.206 -2.172 0.777) 9.491 29.507 ( 6.772 6.905 -1.661) 9.813 29.636 ( 6.655 -6.882 -2.494) 9.892 31.488 ( -10.290 5.221 -1.412) 11.625 31.535 ( -12.058 -0.492 -2.114) 12.252 31.592 ( -9.746 1.806 1.640) 10.047 31.657 ( -7.118 -4.329 -0.215) 8.334 32.492 ( 11.821 1.423 -0.554) 11.919 32.517 ( 11.763 -1.256 -2.003) 11.998 32.848 ( 13.864 0.661 0.613) 13.894 32.860 ( 14.108 -0.502 2.039) 14.263 35.947 ( -0.359 1.051 5.734) 5.841 35.968 ( 0.153 -1.264 6.362) 6.489 36.387 ( 1.680 1.246 -3.532) 4.104 36.413 ( 1.900 -1.534 -2.900) 3.791 37.206 ( 3.161 3.823 2.978) 5.786 37.275 ( 4.654 -3.046 2.907) 6.276 37.485 ( 7.655 8.193 -1.387) 11.298 37.637 ( 9.826 -7.682 -4.675) 13.320 ======================= Grid point 85 (49/84) ======================= q-point: (-0.27 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -7.407 10.140 8.016) 14.898 1.695 ( -16.635 10.200 -3.069) 19.753 1.804 ( -1.585 -8.138 4.178) 9.284 1.897 ( -6.254 -8.083 -4.846) 11.311 2.023 ( -6.946 0.544 -5.732) 9.022 2.121 ( -10.165 -10.980 -6.054) 16.141 2.432 ( -10.127 6.235 -2.885) 12.237 2.542 ( -9.229 -4.289 -4.460) 11.111 2.696 ( -4.733 8.617 -8.311) 12.873 2.836 ( -6.943 2.072 5.959) 9.381 2.853 ( -6.175 -0.075 7.899) 10.026 2.905 ( -8.732 -10.729 -3.793) 14.344 2.984 ( -5.898 2.026 6.261) 8.837 3.091 ( -1.875 -7.569 5.699) 9.658 3.373 ( -6.238 6.963 -2.548) 9.689 3.443 ( -2.814 -0.934 -1.767) 3.452 3.671 ( 5.701 10.883 5.587) 13.497 3.762 ( -1.563 3.734 4.899) 6.355 3.841 ( 4.096 -6.222 -2.489) 7.855 3.914 ( -2.629 -10.112 9.841) 14.353 4.098 ( 4.400 3.597 -4.424) 7.202 4.146 ( 5.842 -3.640 -0.440) 6.897 4.331 ( 7.572 4.067 -1.803) 8.783 4.421 ( 4.276 -3.947 0.979) 5.901 4.687 ( -3.131 1.257 0.318) 3.389 4.718 ( -3.554 -1.470 -2.786) 4.749 4.893 ( -0.211 10.159 -2.364) 10.433 4.946 ( -5.676 0.640 -0.969) 5.794 4.978 ( -3.218 -2.005 0.616) 3.841 5.087 ( -4.661 -8.324 -2.261) 9.804 5.293 ( -2.082 5.007 5.010) 7.383 5.361 ( -3.287 -2.313 1.252) 4.210 5.505 ( -9.076 5.662 1.104) 10.754 5.611 ( -11.418 -5.088 1.429) 12.582 5.775 ( -9.410 2.143 -2.663) 10.011 5.811 ( -11.146 -1.723 -3.760) 11.889 7.175 ( -14.118 5.153 -0.196) 15.030 7.267 ( -13.091 -4.177 -0.339) 13.746 7.316 ( -16.108 0.839 0.544) 16.139 7.344 ( -17.583 -2.221 0.631) 17.734 8.264 ( -1.656 1.062 0.047) 1.968 8.297 ( -1.753 -1.541 -0.785) 2.463 8.356 ( -1.289 2.081 0.062) 2.449 8.418 ( -1.524 -3.653 0.366) 3.975 8.945 ( -15.151 1.714 -1.604) 15.331 8.971 ( -16.032 -1.014 -1.370) 16.122 9.176 ( -15.682 4.250 0.962) 16.277 9.229 ( -16.938 -1.492 1.770) 17.095 10.519 ( 16.516 2.083 0.370) 16.651 10.565 ( 16.974 -2.623 0.209) 17.177 10.630 ( 15.005 4.079 -0.552) 15.559 10.700 ( 14.753 -3.298 -0.217) 15.119 11.491 ( -10.296 4.700 0.617) 11.335 11.559 ( -11.704 -1.407 -3.172) 12.208 11.640 ( -9.492 -0.967 -0.071) 9.542 11.665 ( -9.950 -2.482 -1.860) 10.422 12.557 ( -0.327 1.614 0.056) 1.648 12.591 ( -0.036 -1.588 0.839) 1.796 12.678 ( -0.254 1.902 -0.645) 2.025 12.721 ( -0.529 -2.224 -0.038) 2.287 13.894 ( 5.015 6.507 -1.659) 8.381 13.978 ( 3.142 2.206 -0.013) 3.839 14.109 ( 4.219 -0.373 -0.001) 4.236 14.219 ( 2.185 -7.088 1.535) 7.574 14.871 ( -2.731 2.305 0.845) 3.672 14.896 ( -0.058 3.404 -0.428) 3.431 14.926 ( -2.996 -1.450 0.775) 3.417 15.027 ( 2.908 -8.495 -0.568) 8.997 16.171 ( 15.828 0.946 -1.011) 15.888 16.192 ( 14.908 -1.210 -1.225) 15.008 16.247 ( 19.249 0.997 0.896) 19.295 16.267 ( 18.935 -1.001 1.368) 19.010 16.613 ( 4.155 0.941 1.118) 4.405 16.626 ( 3.892 0.060 0.218) 3.899 16.642 ( 8.445 2.757 -0.117) 8.884 16.718 ( 9.160 -4.634 -0.618) 10.284 20.536 ( -20.887 1.576 -1.303) 20.987 20.566 ( -20.826 -1.641 -2.459) 21.035 20.820 ( -19.136 0.303 0.521) 19.145 20.835 ( -19.359 -1.159 0.274) 19.395 22.622 ( 7.180 5.398 -0.826) 9.020 22.691 ( 6.805 0.500 -0.942) 6.888 22.741 ( 6.544 -1.413 0.429) 6.708 22.778 ( 6.178 -2.915 0.459) 6.847 26.699 ( -34.199 4.594 2.920) 34.630 26.776 ( -34.616 -2.521 2.942) 34.832 27.099 ( -30.930 14.914 -2.208) 34.409 27.476 ( -26.156 -24.881 -8.514) 37.091 29.460 ( 6.011 3.485 -0.318) 6.956 29.521 ( 6.633 -2.688 0.436) 7.170 29.640 ( 5.842 6.472 -1.478) 8.843 29.756 ( 4.506 -5.899 -1.598) 7.593 31.313 ( -8.185 2.826 -2.049) 8.899 31.330 ( -6.116 2.489 -3.712) 7.575 31.461 ( -2.241 6.262 0.840) 6.703 31.597 ( 1.869 -6.379 -3.324) 7.432 32.714 ( 9.941 0.941 1.274) 10.066 32.734 ( 9.534 -1.105 -0.857) 9.636 33.125 ( 12.914 0.725 -0.093) 12.934 33.138 ( 12.797 -0.588 1.304) 12.876 35.946 ( -0.012 1.592 7.062) 7.240 35.982 ( 0.781 -2.247 8.260) 8.596 36.416 ( 1.485 1.973 -2.640) 3.615 36.461 ( 2.680 -2.803 -2.221) 4.469 37.288 ( 4.738 6.320 3.582) 8.673 37.391 ( 6.465 -3.524 2.503) 7.777 37.695 ( 13.146 10.043 0.044) 16.543 37.891 ( 15.314 -10.069 -5.330) 19.087 ======================= Grid point 86 (50/84) ======================= q-point: (-0.18 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -13.445 18.797 -3.144) 23.324 1.509 ( -3.720 14.672 12.538) 19.654 1.755 ( -5.977 -12.381 -3.491) 14.184 1.818 ( -0.156 -13.270 4.552) 14.029 1.943 ( -0.992 -0.460 -10.356) 10.414 1.984 ( -3.946 -5.504 -5.239) 8.563 2.150 ( -17.858 3.729 -4.782) 18.860 2.257 ( -19.243 -5.629 -8.076) 21.615 2.523 ( -11.287 3.949 -6.419) 13.573 2.578 ( -15.794 -0.484 1.218) 15.848 2.668 ( -8.565 2.612 2.157) 9.211 2.759 ( -7.550 -6.623 0.189) 10.045 2.905 ( -1.968 7.339 3.356) 8.307 3.042 ( -5.570 -7.277 3.953) 9.981 3.186 ( -13.725 14.865 4.459) 20.717 3.395 ( -3.231 -2.298 1.201) 4.143 3.638 ( -9.873 -5.665 6.593) 13.154 3.683 ( -10.605 -3.844 10.375) 15.326 3.750 ( -4.075 6.370 0.106) 7.563 3.919 ( -4.829 -5.379 1.080) 7.309 4.160 ( 3.072 3.309 -6.853) 8.207 4.233 ( 2.419 -6.272 4.917) 8.329 4.399 ( -1.915 1.646 1.820) 3.112 4.454 ( 0.289 -3.355 -1.063) 3.531 4.646 ( 1.672 3.781 -3.113) 5.176 4.694 ( 3.003 -1.077 -2.913) 4.321 4.798 ( -5.297 2.874 -1.865) 6.309 4.874 ( -2.584 -2.972 -0.235) 3.945 4.956 ( 1.103 3.558 -0.628) 3.778 5.034 ( 2.345 -1.887 -0.232) 3.019 5.226 ( -6.306 1.737 6.314) 9.091 5.295 ( -3.301 -3.821 4.155) 6.539 5.337 ( -4.930 5.014 -0.191) 7.034 5.437 ( -5.063 -5.395 -2.255) 7.735 5.587 ( -7.962 2.135 -1.034) 8.307 5.612 ( -6.659 -0.212 -1.460) 6.820 6.956 ( -7.762 4.784 -0.467) 9.130 7.038 ( -9.646 -2.915 2.061) 10.286 7.097 ( -6.181 0.151 -0.050) 6.183 7.110 ( -3.264 -2.059 -1.965) 4.331 8.250 ( -0.662 -0.273 0.060) 0.718 8.259 ( -2.257 -1.243 -0.965) 2.751 8.333 ( -2.078 2.236 -0.505) 3.094 8.369 ( -3.274 -1.554 0.153) 3.627 8.682 ( -10.544 0.725 -1.415) 10.663 8.692 ( -10.081 -0.489 -0.729) 10.119 8.875 ( -13.734 3.029 0.070) 14.064 8.909 ( -14.480 -0.756 0.619) 14.513 10.818 ( 11.539 2.293 0.384) 11.771 10.868 ( 11.467 -2.911 0.658) 11.849 10.923 ( 12.342 3.348 -0.733) 12.809 10.980 ( 11.670 -2.685 -0.709) 11.996 11.365 ( -1.651 2.618 -0.578) 3.148 11.404 ( -1.958 -0.858 -1.988) 2.920 11.516 ( -2.362 0.066 -1.584) 2.845 11.547 ( -1.261 -2.646 -0.688) 3.011 12.541 ( -1.284 2.393 0.009) 2.716 12.581 ( -1.451 -1.207 0.938) 2.107 12.664 ( -0.901 2.370 -0.667) 2.622 12.708 ( -1.237 -1.697 -0.053) 2.101 13.957 ( 1.185 1.322 -1.537) 2.348 13.980 ( -1.808 -1.002 -1.621) 2.627 14.127 ( -1.630 1.995 1.324) 2.896 14.172 ( -5.129 -2.047 1.545) 5.734 14.741 ( -9.087 3.556 1.540) 9.879 14.782 ( -10.235 1.171 0.810) 10.333 14.853 ( -4.317 3.728 -0.934) 5.780 15.059 ( -1.582 -16.253 -2.132) 16.468 16.316 ( -1.587 -0.640 -0.895) 1.931 16.325 ( -0.309 -1.303 -0.062) 1.340 16.389 ( -5.111 0.871 1.160) 5.313 16.404 ( -4.138 -0.718 0.652) 4.251 16.877 ( 19.974 1.808 0.026) 20.056 16.903 ( 21.136 -0.811 -1.295) 21.192 16.962 ( 20.898 4.303 0.057) 21.336 17.040 ( 20.575 -4.124 0.095) 20.985 20.186 ( -13.079 0.595 -1.611) 13.191 20.202 ( -14.145 -1.003 -2.981) 14.490 20.472 ( -14.642 0.300 0.540) 14.655 20.487 ( -14.365 -1.117 0.349) 14.412 22.748 ( 5.421 6.057 -1.087) 8.201 22.784 ( 2.415 3.948 -0.214) 4.633 22.846 ( 3.882 -3.434 -0.386) 5.197 22.867 ( 3.139 -3.518 -0.001) 4.714 26.015 ( -32.120 3.052 2.333) 32.348 26.066 ( -34.090 -1.627 2.408) 34.214 26.398 ( -37.397 14.359 -2.705) 40.150 26.794 ( -40.941 -28.994 -11.244) 51.412 29.555 ( 3.568 4.167 -0.297) 5.494 29.623 ( 3.605 -2.697 0.234) 4.508 29.724 ( 2.433 4.596 -1.299) 5.361 29.804 ( 0.508 -3.981 -0.852) 4.102 31.181 ( -4.425 4.795 -1.727) 6.749 31.257 ( -1.605 -2.219 -2.591) 3.770 31.524 ( 8.185 13.778 -7.756) 17.804 31.721 ( 9.810 -7.435 -8.742) 15.098 32.892 ( 7.532 0.286 3.444) 8.287 32.901 ( 7.126 -0.635 1.747) 7.365 33.354 ( 9.433 0.669 -0.671) 9.481 33.363 ( 9.195 -0.317 0.400) 9.210 35.956 ( 0.544 2.238 8.880) 9.174 36.011 ( 1.547 -3.794 10.825) 11.575 36.445 ( 1.457 2.847 -1.839) 3.689 36.510 ( 2.236 -4.247 -1.727) 5.101 37.398 ( 5.715 9.112 3.977) 11.468 37.531 ( 6.975 -3.598 2.075) 8.118 38.009 ( 17.518 10.481 2.388) 20.554 38.229 ( 17.620 -11.860 -4.718) 21.757 ======================= Grid point 87 (51/84) ======================= q-point: (-0.09 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -5.629 24.971 0.596) 25.605 1.419 ( -13.692 11.745 13.016) 22.245 1.591 ( -19.385 -6.472 5.661) 21.206 1.631 ( -15.632 -7.429 1.618) 17.383 1.687 ( -4.134 4.105 -0.686) 5.866 1.899 ( -4.304 -5.992 -8.477) 11.238 2.013 ( -0.604 -2.843 -8.950) 9.410 2.051 ( 0.229 -4.050 -9.931) 10.728 2.254 ( -8.883 4.029 -4.163) 10.605 2.302 ( -9.931 -0.807 -4.031) 10.748 2.589 ( -1.873 -0.107 -1.387) 2.333 2.619 ( -5.277 -3.257 -1.372) 6.352 2.739 ( -11.905 2.942 3.405) 12.727 2.801 ( -16.253 -3.970 5.898) 17.740 3.017 ( -1.883 17.721 7.590) 19.370 3.229 ( -14.117 5.506 -0.742) 15.170 3.316 ( -20.695 -8.179 -4.266) 22.658 3.451 ( -7.571 -19.689 9.755) 23.241 3.723 ( 2.130 5.949 7.378) 9.714 3.801 ( -2.185 -1.010 0.525) 2.464 4.221 ( 2.632 3.306 0.728) 4.287 4.297 ( 3.114 0.333 3.234) 4.502 4.375 ( -1.096 -0.895 6.974) 7.116 4.450 ( 1.140 -4.107 -3.401) 5.453 4.719 ( -1.757 6.053 1.841) 6.566 4.770 ( 6.237 1.256 -2.819) 6.959 4.783 ( 2.019 -1.419 -4.180) 4.854 4.844 ( 0.714 -4.260 -0.196) 4.324 4.993 ( 1.887 6.756 -0.971) 7.082 5.103 ( -3.468 -2.496 2.424) 4.913 5.149 ( 6.401 -2.659 1.399) 7.071 5.206 ( -2.726 -5.425 2.805) 6.688 5.317 ( -1.581 0.083 0.333) 1.618 5.362 ( -2.392 -3.518 -1.560) 4.531 5.495 ( -1.626 4.683 0.914) 5.041 5.565 ( 2.082 -2.379 0.008) 3.162 6.843 ( -3.672 3.622 0.905) 5.236 6.906 ( -4.091 -3.243 3.035) 6.039 7.084 ( 4.469 3.638 -3.787) 6.895 7.135 ( 4.777 -1.664 -5.061) 7.155 8.182 ( -5.403 1.901 -1.935) 6.046 8.192 ( -4.555 1.589 1.304) 4.998 8.270 ( -3.757 -2.543 -1.854) 4.901 8.292 ( -4.530 -4.088 0.190) 6.105 8.535 ( -4.079 3.482 -0.571) 5.393 8.566 ( -3.229 0.390 0.029) 3.252 8.653 ( -7.845 0.359 -0.513) 7.870 8.671 ( -7.574 -1.456 -0.178) 7.715 10.939 ( 0.884 1.644 0.447) 1.919 10.983 ( 0.926 -2.989 0.811) 3.232 11.070 ( 3.411 3.116 -2.077) 5.065 11.124 ( 3.009 -2.564 -1.583) 4.259 11.446 ( 7.787 1.434 -1.484) 8.056 11.482 ( 6.139 -2.323 -1.472) 6.726 11.576 ( 8.328 2.626 0.075) 8.733 11.614 ( 6.579 -1.522 0.727) 6.792 12.502 ( -2.374 1.370 0.074) 2.742 12.524 ( -3.723 -0.950 0.619) 3.892 12.636 ( -2.504 1.982 -0.380) 3.216 12.651 ( -4.537 0.222 -0.331) 4.555 13.939 ( 0.949 2.882 -1.428) 3.353 13.991 ( 0.931 -1.666 -0.609) 2.003 14.081 ( 1.212 2.349 1.094) 2.860 14.144 ( 2.960 -3.260 0.994) 4.515 14.511 ( -12.866 3.891 1.343) 13.508 14.548 ( -12.043 -0.261 0.804) 12.073 14.671 ( -14.304 3.871 -1.921) 14.942 14.836 ( -22.025 -14.968 -4.309) 26.976 16.225 ( -5.363 1.226 0.348) 5.512 16.255 ( -4.525 -1.835 0.523) 4.911 16.274 ( -4.080 1.758 -0.142) 4.444 16.310 ( -2.429 -1.887 -0.205) 3.083 17.218 ( 12.242 3.352 -0.270) 12.696 17.271 ( 13.487 -2.063 -1.423) 13.718 17.355 ( 15.813 3.982 -0.473) 16.313 17.416 ( 14.339 -2.823 -0.290) 14.617 19.994 ( -5.255 1.264 -2.194) 5.833 20.026 ( -4.173 -2.143 -0.929) 4.782 20.252 ( -7.000 0.688 1.146) 7.127 20.271 ( -6.931 -1.295 0.402) 7.062 22.789 ( -0.764 5.036 0.789) 5.154 22.861 ( 4.924 4.477 -2.580) 7.137 22.877 ( 0.345 -2.622 0.089) 2.646 22.940 ( 3.577 -2.684 -2.223) 4.994 25.471 ( -20.198 0.771 0.886) 20.232 25.484 ( -21.429 -0.475 1.027) 21.459 25.672 ( -30.995 6.352 -1.601) 31.680 25.873 ( -45.085 -16.936 -7.587) 48.755 29.609 ( 1.885 4.484 0.071) 4.864 29.677 ( 1.983 -2.592 0.213) 3.271 29.744 ( -0.077 2.727 -1.251) 3.001 29.791 ( -1.293 -2.373 -0.478) 2.744 31.124 ( -1.497 6.876 -1.600) 7.216 31.245 ( 0.037 -5.447 -1.396) 5.623 31.717 ( 9.333 16.350 -20.967) 28.178 31.922 ( 9.097 -7.080 -14.772) 18.738 33.024 ( 5.365 0.399 5.830) 7.933 33.037 ( 6.562 -0.902 6.011) 8.944 33.498 ( 4.755 0.542 -1.142) 4.920 33.503 ( 4.494 0.055 -0.561) 4.529 35.976 ( 0.720 2.878 10.551) 10.961 36.053 ( 1.728 -5.896 13.118) 14.485 36.470 ( 1.003 3.141 -1.218) 3.515 36.545 ( 1.173 -4.990 -1.460) 5.330 37.508 ( 4.441 10.909 3.642) 12.329 37.654 ( 4.518 -3.072 1.667) 5.712 38.372 ( 16.404 5.888 3.578) 17.793 38.553 ( 13.320 -11.861 -3.191) 18.119 ======================= Grid point 110 (52/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -35.847 0.000 20.926) 41.508 1.093 ( 24.179 0.000 13.616) 27.749 1.302 ( 14.202 0.000 -9.806) 17.259 1.398 ( -7.908 0.000 4.769) 9.235 1.709 ( -1.561 0.000 18.549) 18.614 1.952 ( -6.518 0.000 -4.592) 7.973 1.958 ( -0.198 0.000 -8.233) 8.235 2.025 ( 3.938 0.000 -9.650) 10.422 2.206 ( -0.665 0.000 8.817) 8.842 2.374 ( 0.699 0.000 -6.018) 6.058 2.489 ( 6.399 0.000 6.914) 9.421 2.559 ( -1.772 0.000 2.778) 3.295 2.768 ( 0.298 0.000 2.931) 2.947 2.778 ( -0.281 0.000 2.925) 2.938 2.794 ( -0.651 0.000 2.408) 2.495 2.875 ( 1.872 0.000 -4.909) 5.254 3.036 ( 1.368 0.000 -0.826) 1.598 3.237 ( -4.265 0.000 -21.260) 21.684 3.752 ( 5.035 0.000 7.475) 9.012 3.903 ( -5.885 0.000 -8.411) 10.266 4.247 ( -1.016 0.000 10.202) 10.253 4.382 ( 1.923 0.000 -2.963) 3.533 4.458 ( 0.180 0.000 7.546) 7.549 4.567 ( -1.165 0.000 -4.362) 4.515 4.660 ( -1.107 0.000 6.648) 6.740 4.754 ( -3.082 0.000 0.146) 3.085 4.791 ( 1.621 0.000 -6.495) 6.695 4.803 ( 4.501 0.000 -4.382) 6.282 4.990 ( 2.460 0.000 8.107) 8.472 5.128 ( -2.511 0.000 -4.983) 5.580 5.138 ( 0.219 0.000 -1.523) 1.539 5.152 ( -0.798 0.000 -2.524) 2.648 5.354 ( 0.783 0.000 -0.582) 0.976 5.355 ( -1.528 0.000 -0.422) 1.585 5.948 ( 6.614 0.000 16.191) 17.490 6.231 ( -10.419 0.000 -12.829) 16.527 6.800 ( 11.318 0.000 0.604) 11.334 6.814 ( -8.453 0.000 -1.139) 8.529 7.044 ( 2.258 0.000 0.865) 2.418 7.071 ( -0.205 0.000 -1.625) 1.638 8.113 ( 1.769 0.000 1.500) 2.320 8.143 ( -1.628 0.000 -1.558) 2.254 8.316 ( -2.834 0.000 0.736) 2.928 8.332 ( 2.701 0.000 -0.889) 2.843 8.463 ( 2.650 0.000 0.620) 2.721 8.474 ( -3.677 0.000 -0.524) 3.714 8.555 ( 0.428 0.000 1.081) 1.163 8.577 ( 0.252 0.000 -1.141) 1.168 10.953 ( 2.376 0.000 1.669) 2.903 10.995 ( -0.150 0.000 -2.577) 2.581 11.119 ( -0.078 0.000 1.457) 1.459 11.145 ( -0.133 0.000 -1.187) 1.194 11.525 ( -2.297 0.000 0.881) 2.460 11.553 ( 4.035 0.000 -1.887) 4.455 11.666 ( 2.727 0.000 0.865) 2.861 11.672 ( -3.405 0.000 0.220) 3.412 12.477 ( -0.627 0.000 1.467) 1.596 12.498 ( -1.840 0.000 0.161) 1.847 12.510 ( 3.476 0.000 -1.033) 3.626 12.519 ( -0.315 0.000 -1.027) 1.075 13.829 ( -2.053 0.000 0.321) 2.078 13.834 ( 1.874 0.000 -0.217) 1.886 14.154 ( -16.137 0.000 0.930) 16.164 14.176 ( 8.366 0.000 -1.327) 8.471 14.356 ( 2.893 0.000 0.613) 2.957 14.365 ( -0.164 0.000 -0.339) 0.376 14.370 ( -6.537 0.000 -0.022) 6.537 14.371 ( 3.129 0.000 -0.180) 3.134 16.151 ( -0.165 0.000 1.108) 1.120 16.173 ( 0.210 0.000 -1.047) 1.068 16.289 ( 0.040 0.000 1.289) 1.289 16.311 ( -0.107 0.000 -0.956) 0.962 17.235 ( 0.558 0.000 0.073) 0.563 17.237 ( -0.564 0.000 -0.117) 0.576 17.522 ( 2.532 0.000 1.457) 2.922 17.549 ( -2.581 0.000 -1.269) 2.876 20.074 ( -2.967 0.000 0.882) 3.095 20.096 ( 4.255 0.000 -1.332) 4.459 20.235 ( -1.034 0.000 0.162) 1.047 20.236 ( 3.169 0.000 0.101) 3.171 22.619 ( 0.917 0.000 0.562) 1.075 22.630 ( -0.906 0.000 -0.483) 1.026 22.962 ( -1.373 0.000 0.933) 1.660 22.983 ( 1.417 0.000 -1.215) 1.866 25.279 ( 1.160 0.000 -0.049) 1.161 25.280 ( -0.382 0.000 -0.104) 0.396 25.293 ( -2.486 0.000 0.029) 2.486 25.293 ( -0.352 0.000 0.015) 0.352 29.501 ( -0.841 0.000 0.194) 0.863 29.505 ( 0.787 0.000 -0.141) 0.799 29.769 ( 1.348 0.000 0.960) 1.655 29.787 ( -1.297 0.000 -0.863) 1.558 30.734 ( 0.072 0.000 5.293) 5.294 30.847 ( -0.027 0.000 -6.033) 6.033 31.606 ( -1.123 0.000 11.489) 11.544 31.870 ( 1.217 0.000 -15.127) 15.176 33.215 ( -0.608 0.000 7.346) 7.371 33.320 ( 4.984 0.000 -2.924) 5.778 33.494 ( 1.563 0.000 -1.069) 1.894 33.498 ( -2.280 0.000 -1.068) 2.518 36.155 ( 0.235 0.000 10.964) 10.966 36.322 ( -0.266 0.000 -6.145) 6.151 36.638 ( 1.875 0.000 1.702) 2.533 36.679 ( -1.037 0.000 -2.201) 2.433 37.278 ( -0.110 0.000 2.475) 2.478 37.346 ( 0.345 0.000 -4.448) 4.461 39.004 ( 3.740 0.000 0.547) 3.780 39.020 ( -7.216 0.000 -1.022) 7.288 ======================= Grid point 111 (53/84) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 27.945 0.000 9.459) 29.503 1.354 ( 3.402 0.000 -1.510) 3.722 1.418 ( 13.239 0.000 20.711) 24.581 1.742 ( 15.338 0.000 -14.202) 20.903 1.797 ( 6.670 0.000 12.709) 14.353 1.983 ( 8.925 0.000 2.283) 9.212 2.005 ( 6.161 0.000 -5.584) 8.314 2.157 ( 7.663 0.000 -8.048) 11.113 2.195 ( 1.072 0.000 6.351) 6.441 2.354 ( -2.265 0.000 -0.120) 2.268 2.638 ( 7.823 0.000 -5.713) 9.687 2.680 ( 11.268 0.000 7.827) 13.720 2.838 ( 6.964 0.000 -0.070) 6.965 2.857 ( 8.056 0.000 -0.969) 8.114 3.042 ( 20.352 0.000 4.320) 20.806 3.103 ( 12.772 0.000 -1.064) 12.816 3.206 ( 18.056 0.000 -3.994) 18.492 3.234 ( 7.619 0.000 -16.499) 18.173 3.804 ( -2.430 0.000 -5.878) 6.361 3.887 ( 7.424 0.000 6.475) 9.851 4.189 ( -4.667 0.000 9.603) 10.677 4.393 ( 0.242 0.000 -6.069) 6.074 4.394 ( -6.858 0.000 9.742) 11.914 4.532 ( -1.273 0.000 -5.296) 5.447 4.601 ( -2.760 0.000 5.140) 5.834 4.723 ( -1.909 0.000 -1.578) 2.477 4.728 ( -5.793 0.000 -5.963) 8.313 4.930 ( 6.780 0.000 -1.792) 7.013 5.052 ( 3.428 0.000 5.994) 6.905 5.123 ( 1.369 0.000 0.746) 1.559 5.135 ( -0.191 0.000 -7.319) 7.321 5.136 ( 0.097 0.000 2.446) 2.448 5.399 ( 5.308 0.000 -1.008) 5.403 5.414 ( 4.433 0.000 1.141) 4.577 5.756 ( -24.922 0.000 0.302) 24.924 5.828 ( -16.728 0.000 9.464) 19.220 6.750 ( 3.481 0.000 -2.090) 4.060 6.899 ( 2.357 0.000 4.013) 4.654 7.082 ( 1.629 0.000 -2.503) 2.987 7.096 ( 1.028 0.000 0.080) 1.031 8.169 ( 4.012 0.000 -1.280) 4.211 8.215 ( 6.843 0.000 0.250) 6.848 8.309 ( 3.904 0.000 0.240) 3.911 8.332 ( -1.647 0.000 -0.801) 1.832 8.486 ( 3.044 0.000 -0.821) 3.153 8.586 ( 6.836 0.000 0.772) 6.880 8.621 ( 3.309 0.000 -1.944) 3.838 8.657 ( 10.485 0.000 2.035) 10.680 10.950 ( -2.838 0.000 -1.650) 3.283 10.960 ( -2.969 0.000 -2.003) 3.582 11.095 ( -3.212 0.000 1.699) 3.634 11.142 ( -2.245 0.000 -1.726) 2.832 11.388 ( -10.211 0.000 0.237) 10.214 11.528 ( -8.940 0.000 -1.174) 9.017 11.551 ( -2.749 0.000 -2.331) 3.604 11.637 ( -3.520 0.000 1.155) 3.704 12.471 ( 1.308 0.000 0.732) 1.499 12.495 ( 1.006 0.000 -0.368) 1.072 12.594 ( 5.210 0.000 -1.018) 5.309 12.621 ( 6.300 0.000 -0.664) 6.335 13.903 ( 8.684 0.000 -0.853) 8.726 13.927 ( 6.736 0.000 0.550) 6.758 14.169 ( -7.518 0.000 0.341) 7.526 14.169 ( -4.365 0.000 -2.274) 4.921 14.422 ( 14.616 0.000 -3.390) 15.004 14.474 ( 11.914 0.000 2.708) 12.218 14.710 ( 25.664 0.000 -6.569) 26.491 14.713 ( 26.708 0.000 7.689) 27.792 16.207 ( 4.565 0.000 0.839) 4.642 16.249 ( 6.600 0.000 -0.922) 6.664 16.309 ( 3.676 0.000 0.272) 3.686 16.317 ( 1.646 0.000 -0.636) 1.764 17.110 ( -11.952 0.000 -0.303) 11.956 17.133 ( -10.339 0.000 0.220) 10.341 17.351 ( -16.309 0.000 -1.828) 16.411 17.424 ( -12.008 0.000 1.913) 12.160 19.999 ( -1.427 0.000 -1.846) 2.333 20.095 ( -0.714 0.000 -0.351) 0.795 20.292 ( 6.358 0.000 -0.050) 6.358 20.359 ( 7.858 0.000 -1.975) 8.102 22.623 ( 0.052 0.000 -1.133) 1.135 22.638 ( 0.600 0.000 1.167) 1.312 22.932 ( -1.492 0.000 0.362) 1.535 22.994 ( -0.485 0.000 -0.740) 0.885 25.460 ( 17.879 0.000 -0.213) 17.880 25.501 ( 19.708 0.000 -0.815) 19.725 25.663 ( 33.591 0.000 9.586) 34.932 25.889 ( 50.340 0.000 -19.252) 53.896 29.472 ( -2.034 0.000 0.299) 2.056 29.511 ( -0.193 0.000 -0.091) 0.213 29.767 ( -0.675 0.000 -1.681) 1.811 29.797 ( 1.158 0.000 1.361) 1.787 30.773 ( 3.575 0.000 5.100) 6.228 30.873 ( 3.041 0.000 -5.883) 6.622 31.555 ( -4.274 0.000 10.528) 11.362 31.826 ( -4.337 0.000 -13.655) 14.327 33.162 ( -4.687 0.000 4.748) 6.672 33.331 ( -3.713 0.000 -7.560) 8.423 33.403 ( -7.087 0.000 -1.068) 7.167 33.501 ( -1.191 0.000 -0.652) 1.358 36.154 ( -0.948 0.000 10.875) 10.916 36.303 ( -1.165 0.000 -6.582) 6.684 36.609 ( -4.769 0.000 3.335) 5.819 36.624 ( -4.088 0.000 -3.355) 5.289 37.255 ( -2.169 0.000 2.252) 3.127 37.326 ( -1.928 0.000 -4.193) 4.615 38.568 ( -31.005 0.000 13.871) 33.966 38.879 ( -14.772 0.000 -1.604) 14.859 ======================= Grid point 112 (54/84) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 29.841 0.000 3.029) 29.994 1.519 ( 13.205 0.000 -1.339) 13.273 1.656 ( 7.496 0.000 3.457) 8.255 1.834 ( -2.396 0.000 -0.510) 2.449 1.891 ( 6.227 0.000 3.812) 7.301 2.152 ( 7.463 0.000 -6.619) 9.976 2.280 ( -3.208 0.000 1.644) 3.605 2.290 ( 11.284 0.000 -1.280) 11.357 2.330 ( 18.088 0.000 8.933) 20.174 2.365 ( 10.674 0.000 -4.019) 11.406 2.805 ( 8.701 0.000 -3.399) 9.342 2.875 ( 7.286 0.000 5.186) 8.944 2.954 ( 4.068 0.000 -12.791) 13.423 3.057 ( 14.253 0.000 6.619) 15.714 3.358 ( 12.014 0.000 -1.187) 12.073 3.398 ( 7.860 0.000 -10.060) 12.766 3.491 ( 14.847 0.000 1.172) 14.893 3.590 ( 14.977 0.000 -3.172) 15.309 3.815 ( 2.520 0.000 0.377) 2.548 4.033 ( 4.942 0.000 2.610) 5.589 4.075 ( -7.338 0.000 10.973) 13.201 4.250 ( -6.019 0.000 7.796) 9.849 4.365 ( -4.416 0.000 -11.505) 12.324 4.513 ( -4.925 0.000 -4.325) 6.555 4.577 ( -7.208 0.000 0.502) 7.225 4.652 ( 3.710 0.000 1.281) 3.924 4.703 ( 9.796 0.000 1.218) 9.872 5.034 ( 4.604 0.000 4.797) 6.648 5.093 ( -1.303 0.000 -1.231) 1.793 5.124 ( -2.595 0.000 5.355) 5.950 5.173 ( 5.978 0.000 2.496) 6.478 5.205 ( 5.057 0.000 -4.628) 6.855 5.470 ( 0.036 0.000 4.936) 4.937 5.504 ( -9.139 0.000 -1.332) 9.236 5.547 ( 5.734 0.000 -0.551) 5.760 5.554 ( 9.346 0.000 -1.859) 9.529 6.889 ( 9.618 0.000 -2.050) 9.834 7.010 ( 9.290 0.000 3.988) 10.110 7.133 ( 4.091 0.000 1.578) 4.384 7.167 ( 7.744 0.000 -2.308) 8.081 8.277 ( 5.437 0.000 -0.972) 5.523 8.289 ( 0.017 0.000 -0.665) 0.665 8.295 ( -1.036 0.000 -0.199) 1.055 8.445 ( 7.153 0.000 0.914) 7.212 8.603 ( 9.042 0.000 -0.445) 9.053 8.729 ( 8.746 0.000 -2.337) 9.053 8.769 ( 11.876 0.000 0.644) 11.893 8.923 ( 15.232 0.000 1.888) 15.348 10.781 ( -14.030 0.000 -1.233) 14.084 10.839 ( -10.824 0.000 0.207) 10.825 10.980 ( -9.389 0.000 1.225) 9.468 10.984 ( -13.065 0.000 -1.515) 13.153 11.233 ( -1.265 0.000 0.580) 1.391 11.406 ( -0.628 0.000 -3.642) 3.696 11.550 ( 3.886 0.000 -1.022) 4.018 11.625 ( 3.112 0.000 0.223) 3.120 12.519 ( 2.821 0.000 0.346) 2.842 12.527 ( 2.136 0.000 0.353) 2.164 12.679 ( 2.725 0.000 -0.865) 2.859 12.721 ( 3.136 0.000 -0.700) 3.214 13.934 ( -7.350 0.000 1.114) 7.433 14.000 ( -7.802 0.000 -1.988) 8.051 14.129 ( 8.839 0.000 0.594) 8.859 14.187 ( 9.005 0.000 -0.605) 9.025 14.661 ( 10.120 0.000 -1.563) 10.240 14.686 ( 9.500 0.000 1.203) 9.576 15.075 ( 6.896 0.000 -9.967) 12.120 15.097 ( 7.239 0.000 11.771) 13.818 16.278 ( 1.260 0.000 0.204) 1.276 16.340 ( 1.989 0.000 -0.174) 1.997 16.387 ( 2.388 0.000 0.849) 2.534 16.481 ( 7.335 0.000 -2.511) 7.753 16.767 ( -20.803 0.000 -0.475) 20.808 16.849 ( -15.971 0.000 0.306) 15.974 16.955 ( -19.486 0.000 -2.935) 19.706 17.081 ( -20.123 0.000 2.431) 20.269 20.106 ( 12.738 0.000 -1.345) 12.809 20.178 ( 10.558 0.000 -1.266) 10.634 20.493 ( 13.622 0.000 0.403) 13.628 20.568 ( 13.040 0.000 -1.610) 13.139 22.609 ( -1.926 0.000 -2.009) 2.783 22.631 ( -1.594 0.000 1.927) 2.500 22.896 ( -2.450 0.000 -0.164) 2.456 22.954 ( -3.610 0.000 -0.231) 3.617 25.961 ( 30.350 0.000 0.184) 30.351 26.023 ( 30.625 0.000 -1.646) 30.669 26.469 ( 41.050 0.000 20.145) 45.727 26.877 ( 43.906 0.000 -30.511) 53.466 29.419 ( -3.339 0.000 0.699) 3.411 29.493 ( -1.683 0.000 -0.259) 1.703 29.749 ( -1.306 0.000 -3.347) 3.593 29.804 ( -1.060 0.000 2.228) 2.468 30.891 ( 7.906 0.000 4.583) 9.138 30.970 ( 7.062 0.000 -5.402) 8.891 31.474 ( -3.269 0.000 8.181) 8.810 31.708 ( -5.611 0.000 -10.048) 11.508 33.041 ( -7.349 0.000 1.953) 7.604 33.183 ( -10.004 0.000 -7.264) 12.363 33.213 ( -11.525 0.000 0.061) 11.525 33.420 ( -6.955 0.000 -1.142) 7.048 36.133 ( -1.594 0.000 10.407) 10.528 36.272 ( -1.319 0.000 -7.229) 7.348 36.470 ( -8.528 0.000 8.741) 12.212 36.518 ( -5.881 0.000 -5.075) 7.768 37.206 ( -2.494 0.000 1.718) 3.028 37.275 ( -2.671 0.000 -3.183) 4.155 38.007 ( -23.274 0.000 18.099) 29.483 38.492 ( -21.166 0.000 -6.761) 22.219 ======================= Grid point 113 (55/84) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 6.935 0.000 6.614) 9.583 1.724 ( 1.730 0.000 -9.161) 9.323 1.840 ( 6.750 0.000 4.696) 8.223 1.950 ( 25.042 0.000 -7.601) 26.170 2.064 ( 7.094 0.000 9.430) 11.800 2.193 ( -0.389 0.000 6.317) 6.328 2.352 ( 10.069 0.000 -5.144) 11.307 2.384 ( 2.458 0.000 -5.926) 6.416 2.574 ( 10.627 0.000 -2.541) 10.927 2.767 ( 17.810 0.000 4.291) 18.319 2.974 ( 7.473 0.000 -1.244) 7.576 3.015 ( 6.509 0.000 5.130) 8.288 3.060 ( 6.490 0.000 -6.577) 9.240 3.339 ( 11.396 0.000 4.189) 12.142 3.473 ( 1.955 0.000 -7.800) 8.041 3.528 ( 3.318 0.000 3.689) 4.962 3.626 ( 0.673 0.000 -8.846) 8.872 3.733 ( 0.285 0.000 1.750) 1.773 3.861 ( 0.544 0.000 1.660) 1.747 3.907 ( -7.437 0.000 9.416) 11.999 4.056 ( -3.760 0.000 1.330) 3.988 4.126 ( -7.844 0.000 -0.456) 7.858 4.211 ( -8.761 0.000 -8.770) 12.396 4.369 ( -9.749 0.000 3.145) 10.244 4.472 ( 1.164 0.000 -1.116) 1.613 4.822 ( -2.534 0.000 0.336) 2.556 4.824 ( 9.413 0.000 -2.818) 9.826 5.034 ( -0.717 0.000 10.224) 10.249 5.075 ( -1.333 0.000 0.029) 1.333 5.153 ( 1.404 0.000 1.257) 1.884 5.285 ( 6.643 0.000 4.011) 7.760 5.297 ( 3.640 0.000 -5.617) 6.693 5.508 ( 7.138 0.000 -4.422) 8.396 5.583 ( 8.964 0.000 6.990) 11.367 5.741 ( 12.050 0.000 0.242) 12.052 5.810 ( 14.428 0.000 -4.564) 15.133 7.134 ( 14.742 0.000 -3.672) 15.192 7.255 ( 12.047 0.000 2.601) 12.325 7.338 ( 18.481 0.000 2.510) 18.651 7.400 ( 14.269 0.000 -1.171) 14.317 8.247 ( -3.065 0.000 -0.663) 3.136 8.279 ( 1.340 0.000 -0.445) 1.412 8.399 ( 5.091 0.000 -0.101) 5.092 8.539 ( 1.854 0.000 1.446) 2.351 8.840 ( 14.026 0.000 0.054) 14.026 8.991 ( 16.843 0.000 -3.449) 17.193 9.059 ( 16.179 0.000 1.007) 16.211 9.263 ( 17.791 0.000 2.068) 17.911 10.470 ( -15.050 0.000 0.343) 15.054 10.536 ( -16.719 0.000 -0.429) 16.724 10.666 ( -17.052 0.000 -2.122) 17.183 10.723 ( -14.783 0.000 1.648) 14.875 11.361 ( 12.605 0.000 2.108) 12.780 11.503 ( 9.673 0.000 -4.552) 10.691 11.706 ( 11.247 0.000 -0.833) 11.277 11.749 ( 8.735 0.000 -0.323) 8.741 12.567 ( 1.329 0.000 0.738) 1.520 12.571 ( 1.417 0.000 0.396) 1.471 12.703 ( 0.135 0.000 -1.375) 1.381 12.750 ( 0.372 0.000 -0.064) 0.377 13.763 ( -8.607 0.000 0.337) 8.614 13.803 ( -10.173 0.000 -0.460) 10.183 14.261 ( 1.665 0.000 -0.825) 1.858 14.331 ( 2.599 0.000 0.250) 2.611 14.812 ( 2.940 0.000 -0.925) 3.082 14.827 ( 2.239 0.000 0.984) 2.446 15.086 ( -2.179 0.000 -3.928) 4.492 15.097 ( -4.159 0.000 6.332) 7.576 16.140 ( -21.725 0.000 -0.375) 21.729 16.169 ( -12.777 0.000 -0.394) 12.783 16.228 ( -17.545 0.000 0.783) 17.562 16.311 ( -19.653 0.000 0.068) 19.653 16.513 ( -2.261 0.000 -0.217) 2.271 16.633 ( -5.605 0.000 0.069) 5.605 16.749 ( -9.724 0.000 2.925) 10.154 16.761 ( -2.689 0.000 -3.767) 4.628 20.476 ( 22.161 0.000 0.314) 22.163 20.521 ( 22.277 0.000 -2.735) 22.444 20.832 ( 19.197 0.000 1.034) 19.225 20.872 ( 16.526 0.000 -0.804) 16.546 22.532 ( -5.517 0.000 -2.302) 5.978 22.571 ( -4.571 0.000 1.996) 4.987 22.814 ( -6.073 0.000 -0.350) 6.083 22.843 ( -7.415 0.000 0.152) 7.417 26.623 ( 33.691 0.000 0.295) 33.693 26.678 ( 33.002 0.000 -1.564) 33.039 27.228 ( 31.473 0.000 19.955) 37.266 27.573 ( 27.093 0.000 -23.139) 35.629 29.338 ( -4.672 0.000 1.159) 4.813 29.439 ( -3.766 0.000 -0.292) 3.777 29.695 ( -4.041 0.000 -5.613) 6.916 29.737 ( -6.003 0.000 3.495) 6.946 31.100 ( 12.463 0.000 3.940) 13.071 31.156 ( 11.578 0.000 -4.804) 12.535 31.470 ( 3.135 0.000 5.571) 6.392 31.630 ( -0.780 0.000 -5.948) 5.999 32.869 ( -9.956 0.000 -2.228) 10.203 32.931 ( -14.280 0.000 -6.021) 15.498 32.949 ( -14.170 0.000 3.556) 14.609 33.227 ( -11.771 0.000 -0.362) 11.776 36.107 ( -1.536 0.000 9.597) 9.719 36.247 ( -0.695 0.000 -7.941) 7.971 36.309 ( -7.345 0.000 11.044) 13.264 36.395 ( -5.642 0.000 -5.980) 8.222 37.163 ( -1.706 0.000 1.027) 1.991 37.222 ( -2.224 0.000 -1.906) 2.929 37.653 ( -13.417 0.000 12.685) 18.464 38.077 ( -18.595 0.000 -8.389) 20.400 ======================= Grid point 114 (56/84) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 1.446 0.000 -3.887) 4.147 1.759 ( 2.134 0.000 -0.373) 2.167 2.073 ( 12.172 0.000 7.744) 14.427 2.114 ( 3.153 0.000 -2.298) 3.902 2.323 ( 7.906 0.000 7.667) 11.013 2.369 ( 8.793 0.000 -4.958) 10.094 2.469 ( 14.159 0.000 -5.284) 15.113 2.558 ( 9.983 0.000 -1.151) 10.049 2.810 ( 12.399 0.000 1.638) 12.506 3.000 ( 4.441 0.000 1.894) 4.828 3.062 ( 0.979 0.000 -4.893) 4.990 3.133 ( 4.310 0.000 4.946) 6.561 3.178 ( 4.305 0.000 7.853) 8.955 3.412 ( -3.957 0.000 3.853) 5.523 3.480 ( -0.390 0.000 -4.783) 4.799 3.556 ( 0.905 0.000 1.129) 1.447 3.622 ( 0.071 0.000 -9.016) 9.016 3.698 ( -1.639 0.000 5.803) 6.030 3.798 ( -5.455 0.000 11.256) 12.508 3.828 ( -2.552 0.000 -3.215) 4.105 3.889 ( -8.058 0.000 -7.980) 11.341 4.014 ( -5.026 0.000 -4.915) 7.030 4.047 ( -6.494 0.000 -8.632) 10.802 4.119 ( -13.334 0.000 3.852) 13.880 4.561 ( 5.619 0.000 0.323) 5.628 4.748 ( -2.914 0.000 0.551) 2.966 4.989 ( 7.303 0.000 -5.798) 9.325 5.036 ( -1.916 0.000 0.208) 1.928 5.043 ( -1.252 0.000 10.444) 10.518 5.123 ( -2.012 0.000 1.395) 2.448 5.346 ( 1.981 0.000 -6.437) 6.735 5.362 ( -0.169 0.000 4.431) 4.434 5.697 ( 10.470 0.000 -4.404) 11.359 5.749 ( 5.709 0.000 10.630) 12.066 5.961 ( 8.014 0.000 1.038) 8.081 6.056 ( 9.024 0.000 -6.729) 11.256 7.460 ( 16.893 0.000 -3.560) 17.264 7.527 ( 14.090 0.000 1.672) 14.189 7.648 ( 8.511 0.000 -0.814) 8.550 7.733 ( 15.781 0.000 1.970) 15.903 8.220 ( 2.175 0.000 -0.229) 2.187 8.371 ( 7.224 0.000 -0.662) 7.255 8.462 ( 0.670 0.000 0.381) 0.771 8.520 ( -3.361 0.000 0.987) 3.503 9.148 ( 15.835 0.000 -0.324) 15.839 9.367 ( 19.097 0.000 -3.959) 19.503 9.393 ( 15.809 0.000 1.539) 15.884 9.608 ( 14.784 0.000 3.720) 15.244 10.222 ( -8.946 0.000 1.771) 9.119 10.225 ( -13.156 0.000 -1.650) 13.259 10.335 ( -14.278 0.000 -3.897) 14.801 10.425 ( -14.115 0.000 2.588) 14.351 11.719 ( 21.910 0.000 2.495) 22.052 11.780 ( 17.845 0.000 -3.227) 18.135 11.974 ( 13.769 0.000 -0.800) 13.792 11.990 ( 16.414 0.000 -1.074) 16.449 12.543 ( -4.363 0.000 -0.549) 4.397 12.557 ( -2.047 0.000 1.406) 2.483 12.696 ( -1.282 0.000 -2.176) 2.525 12.764 ( 0.741 0.000 1.270) 1.470 13.605 ( -6.869 0.000 0.271) 6.874 13.619 ( -7.609 0.000 -0.265) 7.613 14.165 ( -9.942 0.000 -1.824) 10.108 14.237 ( -11.376 0.000 1.534) 11.479 14.660 ( -18.889 0.000 -0.179) 18.890 14.671 ( -18.194 0.000 0.225) 18.196 14.996 ( -6.903 0.000 2.933) 7.500 15.012 ( -5.996 0.000 -1.434) 6.165 15.824 ( -5.856 0.000 -0.515) 5.879 15.905 ( -9.690 0.000 -0.154) 9.691 15.967 ( -3.127 0.000 0.298) 3.141 15.993 ( -8.141 0.000 0.168) 8.143 16.477 ( -2.321 0.000 0.774) 2.446 16.510 ( -6.586 0.000 -0.370) 6.597 16.627 ( -5.526 0.000 1.539) 5.736 16.656 ( -7.745 0.000 -1.813) 7.954 20.935 ( 21.957 0.000 0.322) 21.960 21.008 ( 24.525 0.000 -3.082) 24.717 21.203 ( 15.227 0.000 0.324) 15.231 21.229 ( 18.650 0.000 1.570) 18.716 22.396 ( -7.136 0.000 -1.961) 7.401 22.453 ( -6.867 0.000 1.476) 7.024 22.646 ( -10.305 0.000 -0.621) 10.323 22.658 ( -10.760 0.000 0.553) 10.775 27.271 ( 29.467 0.000 -0.594) 29.473 27.309 ( 28.557 0.000 -0.257) 28.558 27.734 ( 17.312 0.000 13.318) 21.842 27.967 ( 13.164 0.000 -12.856) 18.400 29.235 ( -5.369 0.000 1.389) 5.546 29.333 ( -6.826 0.000 -0.158) 6.828 29.576 ( -9.330 0.000 4.907) 10.542 29.591 ( -4.945 0.000 -7.722) 9.170 31.388 ( 15.457 0.000 3.367) 15.820 31.423 ( 14.685 0.000 -4.193) 15.272 31.606 ( 9.197 0.000 3.940) 10.006 31.688 ( 6.580 0.000 -3.105) 7.276 32.600 ( -15.919 0.000 -3.762) 16.357 32.612 ( -16.660 0.000 -4.338) 17.216 32.701 ( -10.290 0.000 5.006) 11.443 32.961 ( -13.993 0.000 -0.082) 13.993 36.084 ( -1.310 0.000 8.569) 8.669 36.198 ( -4.295 0.000 10.203) 11.070 36.232 ( -0.692 0.000 -8.418) 8.446 36.301 ( -2.658 0.000 -6.067) 6.623 37.140 ( -0.613 0.000 0.677) 0.913 37.185 ( -1.411 0.000 -0.987) 1.721 37.457 ( -6.964 0.000 8.444) 10.945 37.752 ( -12.943 0.000 -7.593) 15.006 ======================= Grid point 115 (57/84) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 0.479 0.000 0.013) 0.479 1.793 ( 1.159 0.000 -1.721) 2.075 2.246 ( 8.178 0.000 -3.282) 8.812 2.261 ( 4.103 0.000 5.236) 6.652 2.413 ( -0.339 0.000 3.182) 3.200 2.426 ( 1.363 0.000 -4.822) 5.011 2.737 ( 6.729 0.000 2.765) 7.275 2.791 ( 12.378 0.000 -1.033) 12.421 2.933 ( -7.833 0.000 3.131) 8.436 3.016 ( -1.664 0.000 -0.057) 1.665 3.039 ( 6.291 0.000 4.204) 7.566 3.196 ( 0.739 0.000 1.686) 1.841 3.260 ( 4.540 0.000 7.554) 8.814 3.385 ( 2.012 0.000 2.175) 2.963 3.459 ( -1.694 0.000 4.042) 4.382 3.511 ( -3.605 0.000 0.382) 3.625 3.600 ( -1.411 0.000 -6.751) 6.897 3.612 ( -9.395 0.000 7.116) 11.786 3.716 ( -0.336 0.000 -0.276) 0.435 3.803 ( 0.418 0.000 -4.660) 4.679 3.827 ( 0.405 0.000 -5.155) 5.171 3.909 ( -3.568 0.000 -3.290) 4.853 3.924 ( -4.086 0.000 -5.099) 6.534 3.944 ( -3.468 0.000 -8.357) 9.048 4.654 ( 3.138 0.000 0.901) 3.265 4.708 ( -1.494 0.000 0.240) 1.513 4.984 ( -3.563 0.000 8.428) 9.150 5.019 ( 0.804 0.000 0.190) 0.826 5.105 ( -0.929 0.000 1.737) 1.970 5.121 ( 5.880 0.000 -7.745) 9.724 5.315 ( -3.854 0.000 5.685) 6.868 5.381 ( 1.979 0.000 -6.142) 6.453 5.812 ( -0.239 0.000 11.306) 11.309 5.888 ( 8.130 0.000 -4.622) 9.352 6.046 ( 0.878 0.000 3.525) 3.632 6.154 ( 1.310 0.000 -7.109) 7.229 7.729 ( 3.829 0.000 0.273) 3.839 7.732 ( 4.232 0.000 -0.169) 4.235 7.790 ( 11.515 0.000 -2.452) 11.773 7.908 ( 2.039 0.000 1.155) 2.344 8.291 ( 1.859 0.000 -0.396) 1.901 8.398 ( -5.341 0.000 -1.131) 5.459 8.484 ( 1.977 0.000 2.079) 2.869 8.513 ( 3.759 0.000 -0.080) 3.760 9.460 ( 14.700 0.000 -1.109) 14.742 9.611 ( 1.889 0.000 2.264) 2.948 9.683 ( 11.134 0.000 -2.918) 11.510 9.776 ( -0.202 0.000 2.855) 2.862 10.034 ( -3.000 0.000 -3.214) 4.397 10.075 ( -8.545 0.000 2.816) 8.997 10.175 ( -0.128 0.000 -3.214) 3.216 10.208 ( -5.694 0.000 2.280) 6.134 12.148 ( 16.837 0.000 0.808) 16.856 12.188 ( 20.278 0.000 -0.489) 20.284 12.306 ( 11.259 0.000 -1.527) 11.362 12.307 ( 16.578 0.000 -0.157) 16.579 12.423 ( -5.830 0.000 -0.742) 5.877 12.503 ( -4.613 0.000 1.255) 4.781 12.610 ( -5.561 0.000 -1.939) 5.890 12.717 ( -7.385 0.000 1.278) 7.495 13.488 ( -4.414 0.000 0.929) 4.510 13.502 ( -3.508 0.000 -0.987) 3.644 13.964 ( -6.328 0.000 -2.005) 6.638 13.975 ( -10.865 0.000 1.924) 11.034 14.239 ( -15.374 0.000 0.865) 15.398 14.265 ( -15.074 0.000 -0.827) 15.096 14.850 ( -5.446 0.000 2.415) 5.958 14.879 ( -4.445 0.000 -1.636) 4.736 15.817 ( 1.639 0.000 -0.766) 1.809 15.833 ( 0.201 0.000 -1.181) 1.198 15.986 ( 4.260 0.000 1.467) 4.506 16.021 ( 3.996 0.000 0.773) 4.070 16.394 ( -3.221 0.000 -0.937) 3.354 16.433 ( -2.482 0.000 0.699) 2.578 16.485 ( -6.251 0.000 -0.697) 6.290 16.510 ( -5.159 0.000 0.830) 5.225 21.313 ( 14.139 0.000 -0.317) 14.142 21.414 ( 5.798 0.000 0.784) 5.851 21.445 ( 14.388 0.000 -3.303) 14.763 21.504 ( 5.574 0.000 2.271) 6.019 22.296 ( -0.748 0.000 -0.915) 1.182 22.340 ( -2.560 0.000 0.651) 2.642 22.426 ( -9.750 0.000 -1.025) 9.803 22.435 ( -9.928 0.000 0.933) 9.972 27.770 ( 13.873 0.000 3.517) 14.312 27.775 ( 19.550 0.000 -2.997) 19.778 27.940 ( 3.764 0.000 4.721) 6.038 28.077 ( -2.458 0.000 -4.766) 5.363 29.146 ( -2.455 0.000 0.884) 2.609 29.192 ( -5.292 0.000 -1.019) 5.390 29.413 ( -5.989 0.000 6.742) 9.018 29.524 ( -0.798 0.000 -8.343) 8.381 31.697 ( 13.050 0.000 3.420) 13.491 31.710 ( 12.521 0.000 -3.423) 12.980 31.769 ( 3.957 0.000 2.980) 4.954 31.850 ( 7.063 0.000 -2.476) 7.485 32.288 ( -13.078 0.000 -2.692) 13.352 32.288 ( -12.876 0.000 -1.437) 12.956 32.554 ( -2.549 0.000 3.213) 4.101 32.693 ( -11.197 0.000 -0.320) 11.201 36.065 ( -0.925 0.000 7.584) 7.640 36.144 ( -1.783 0.000 9.140) 9.312 36.206 ( -0.691 0.000 -7.203) 7.236 36.287 ( 0.907 0.000 -7.455) 7.510 37.139 ( 0.399 0.000 0.556) 0.685 37.163 ( -0.739 0.000 -0.634) 0.974 37.377 ( -1.358 0.000 6.814) 6.948 37.555 ( -5.855 0.000 -6.663) 8.870 ======================= Grid point 116 (58/84) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 0.932 0.000 -0.918) 1.308 1.797 ( -1.224 0.000 -2.731) 2.993 2.180 ( -9.384 0.000 4.143) 10.258 2.333 ( -3.118 0.000 -1.154) 3.325 2.337 ( -3.541 0.000 1.978) 4.056 2.448 ( -0.209 0.000 0.329) 0.389 2.721 ( -11.111 0.000 5.153) 12.247 2.768 ( -8.657 0.000 0.159) 8.658 2.956 ( 4.559 0.000 0.952) 4.657 2.996 ( 2.119 0.000 -1.251) 2.461 3.117 ( -9.405 0.000 -3.166) 9.923 3.151 ( 4.406 0.000 6.105) 7.529 3.342 ( 2.128 0.000 5.793) 6.171 3.397 ( -2.550 0.000 1.490) 2.953 3.463 ( 0.022 0.000 0.738) 0.738 3.496 ( 5.691 0.000 10.832) 12.236 3.516 ( -2.091 0.000 2.157) 3.004 3.606 ( 2.963 0.000 -8.166) 8.687 3.707 ( 0.178 0.000 5.259) 5.262 3.785 ( -0.899 0.000 -1.510) 1.758 3.813 ( 0.692 0.000 -6.624) 6.660 3.904 ( 1.429 0.000 -5.667) 5.844 3.939 ( 3.575 0.000 -9.289) 9.953 3.989 ( 9.937 0.000 -5.454) 11.335 4.667 ( -2.967 0.000 -0.546) 3.017 4.699 ( 1.727 0.000 1.176) 2.090 4.947 ( -0.548 0.000 6.607) 6.629 5.062 ( -3.333 0.000 -0.511) 3.372 5.063 ( 3.079 0.000 0.564) 3.130 5.211 ( 3.351 0.000 -9.419) 9.997 5.245 ( -2.774 0.000 7.550) 8.043 5.419 ( 1.905 0.000 -4.672) 5.045 5.752 ( -6.011 0.000 8.739) 10.607 5.998 ( 2.495 0.000 -5.253) 5.815 6.026 ( -2.990 0.000 6.394) 7.059 6.110 ( -5.132 0.000 -5.349) 7.413 7.733 ( -3.197 0.000 -0.242) 3.206 7.740 ( -2.811 0.000 -0.832) 2.931 7.759 ( -14.178 0.000 0.704) 14.196 7.918 ( -1.883 0.000 -0.045) 1.883 8.306 ( -2.107 0.000 -1.803) 2.773 8.378 ( 5.043 0.000 0.714) 5.093 8.497 ( -2.450 0.000 1.600) 2.926 8.514 ( -2.192 0.000 -0.888) 2.365 9.461 ( -13.002 0.000 -1.076) 13.047 9.636 ( -12.080 0.000 1.771) 12.210 9.654 ( -2.930 0.000 -1.905) 3.495 9.811 ( 2.600 0.000 -0.662) 2.683 9.969 ( 4.650 0.000 3.272) 5.685 10.117 ( 6.618 0.000 -1.487) 6.783 10.127 ( -2.989 0.000 1.634) 3.406 10.251 ( 7.289 0.000 -2.121) 7.591 12.170 ( -14.033 0.000 -1.271) 14.091 12.180 ( -22.548 0.000 0.416) 22.552 12.283 ( -10.834 0.000 0.635) 10.853 12.306 ( -18.112 0.000 -0.301) 18.115 12.416 ( 5.348 0.000 -0.038) 5.349 12.535 ( 7.205 0.000 -2.061) 7.494 12.572 ( 2.651 0.000 2.020) 3.333 12.731 ( 7.993 0.000 -0.179) 7.995 13.483 ( 4.319 0.000 0.944) 4.421 13.506 ( 3.548 0.000 -0.857) 3.650 13.928 ( 6.573 0.000 1.546) 6.752 14.008 ( 10.399 0.000 -1.422) 10.495 14.249 ( 16.051 0.000 0.776) 16.070 14.258 ( 14.680 0.000 -1.063) 14.719 14.842 ( 4.751 0.000 2.134) 5.208 14.891 ( 5.564 0.000 -1.701) 5.819 15.823 ( -1.704 0.000 -1.331) 2.163 15.828 ( 0.239 0.000 -0.672) 0.713 16.002 ( -4.517 0.000 -0.015) 4.517 16.015 ( -3.492 0.000 1.322) 3.733 16.382 ( 2.531 0.000 0.222) 2.540 16.443 ( 4.932 0.000 -0.285) 4.940 16.469 ( 3.246 0.000 0.845) 3.354 16.518 ( 5.830 0.000 0.011) 5.830 21.317 ( -12.984 0.000 -0.683) 13.002 21.386 ( -15.795 0.000 2.194) 15.947 21.433 ( -3.688 0.000 -0.694) 3.753 21.550 ( -6.674 0.000 -2.288) 7.055 22.284 ( -0.197 0.000 0.309) 0.366 22.346 ( 3.082 0.000 -0.064) 3.083 22.409 ( 10.062 0.000 0.725) 10.088 22.451 ( 9.609 0.000 -0.663) 9.632 27.712 ( -15.850 0.000 3.272) 16.184 27.818 ( -19.435 0.000 -1.655) 19.506 27.986 ( -3.538 0.000 4.364) 5.618 28.055 ( 5.323 0.000 -6.496) 8.398 29.172 ( 3.118 0.000 -1.754) 3.578 29.184 ( 6.347 0.000 -0.258) 6.352 29.366 ( 0.959 0.000 7.635) 7.695 29.557 ( 4.563 0.000 -7.779) 9.018 31.651 ( -12.802 0.000 2.653) 13.074 31.763 ( -13.098 0.000 -3.317) 13.511 31.802 ( -6.235 0.000 2.423) 6.689 31.832 ( -3.239 0.000 -3.218) 4.566 32.244 ( 10.218 0.000 1.526) 10.331 32.274 ( 10.764 0.000 -0.357) 10.770 32.600 ( 3.748 0.000 -1.378) 3.993 32.658 ( 11.373 0.000 3.066) 11.779 36.059 ( -0.109 0.000 7.594) 7.595 36.130 ( -0.061 0.000 8.409) 8.410 36.211 ( 1.469 0.000 -7.074) 7.225 36.311 ( 1.900 0.000 -7.663) 7.895 37.152 ( 0.696 0.000 0.473) 0.842 37.153 ( -0.168 0.000 -0.780) 0.798 37.416 ( 4.876 0.000 7.435) 8.891 37.514 ( 2.240 0.000 -7.065) 7.411 ======================= Grid point 117 (59/84) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -9.492 0.000 3.017) 9.960 1.788 ( -0.777 0.000 -3.253) 3.344 2.083 ( 1.232 0.000 1.482) 1.927 2.222 ( -7.328 0.000 4.727) 8.721 2.234 ( -8.566 0.000 -4.927) 9.881 2.371 ( -7.357 0.000 4.534) 8.642 2.384 ( -16.943 0.000 2.984) 17.204 2.579 ( -9.429 0.000 -3.630) 10.104 2.853 ( -13.841 0.000 -4.390) 14.520 2.989 ( -4.550 0.000 1.815) 4.898 2.999 ( -2.014 0.000 0.457) 2.065 3.188 ( -2.467 0.000 3.594) 4.359 3.323 ( -10.944 0.000 -6.439) 12.697 3.394 ( -0.161 0.000 6.484) 6.486 3.421 ( 5.110 0.000 3.340) 6.105 3.482 ( -2.337 0.000 4.813) 5.350 3.604 ( 1.433 0.000 3.195) 3.502 3.662 ( 2.871 0.000 -1.146) 3.091 3.725 ( 2.575 0.000 5.553) 6.121 3.868 ( 6.143 0.000 -5.792) 8.443 3.886 ( 8.071 0.000 5.160) 9.579 3.996 ( 8.024 0.000 -6.372) 10.246 4.031 ( 5.957 0.000 -7.903) 9.897 4.242 ( 14.065 0.000 -5.974) 15.281 4.582 ( -5.332 0.000 -1.896) 5.659 4.735 ( 1.840 0.000 1.980) 2.703 4.912 ( -4.467 0.000 3.008) 5.386 5.022 ( 0.337 0.000 1.389) 1.429 5.125 ( 2.520 0.000 1.528) 2.947 5.216 ( -0.768 0.000 6.462) 6.508 5.242 ( 0.304 0.000 -9.855) 9.859 5.431 ( -1.342 0.000 -2.526) 2.860 5.599 ( -8.993 0.000 5.367) 10.472 5.925 ( -7.565 0.000 6.323) 9.860 5.942 ( -11.008 0.000 -4.494) 11.890 5.966 ( -5.791 0.000 -3.988) 7.031 7.408 ( -18.061 0.000 1.578) 18.130 7.557 ( -13.139 0.000 -1.394) 13.213 7.641 ( -8.978 0.000 -0.067) 8.978 7.755 ( -14.435 0.000 -0.244) 14.437 8.233 ( -3.211 0.000 -1.476) 3.534 8.347 ( -6.164 0.000 1.584) 6.364 8.470 ( -0.974 0.000 -0.233) 1.002 8.530 ( 2.802 0.000 0.040) 2.802 9.164 ( -15.486 0.000 -1.879) 15.600 9.320 ( -18.144 0.000 0.653) 18.155 9.398 ( -16.773 0.000 1.223) 16.817 9.653 ( -17.019 0.000 -0.766) 17.036 10.195 ( 14.123 0.000 1.367) 14.189 10.254 ( 8.578 0.000 -1.474) 8.703 10.275 ( 16.215 0.000 2.016) 16.340 10.467 ( 13.156 0.000 -1.655) 13.260 11.730 ( -19.692 0.000 1.904) 19.784 11.786 ( -21.127 0.000 -4.450) 21.590 11.957 ( -13.282 0.000 0.817) 13.307 11.968 ( -16.082 0.000 0.863) 16.105 12.530 ( 4.342 0.000 0.776) 4.411 12.579 ( 1.372 0.000 -0.618) 1.505 12.662 ( 1.910 0.000 0.917) 2.118 12.784 ( -1.060 0.000 -0.660) 1.248 13.611 ( 6.686 0.000 -0.302) 6.693 13.612 ( 7.768 0.000 0.411) 7.779 14.138 ( 10.528 0.000 0.888) 10.565 14.257 ( 10.422 0.000 -0.488) 10.434 14.662 ( 18.047 0.000 -0.305) 18.049 14.677 ( 19.287 0.000 -0.358) 19.291 14.982 ( 5.918 0.000 1.701) 6.158 15.048 ( 8.314 0.000 -2.128) 8.582 15.829 ( 6.022 0.000 -1.084) 6.119 15.914 ( 10.256 0.000 -0.991) 10.303 15.961 ( 2.941 0.000 0.904) 3.077 15.993 ( 7.176 0.000 0.219) 7.180 16.494 ( 2.144 0.000 -0.947) 2.344 16.500 ( 7.068 0.000 0.607) 7.094 16.614 ( 6.477 0.000 2.382) 6.901 16.652 ( 6.595 0.000 -0.998) 6.670 20.960 ( -20.877 0.000 -2.288) 21.002 20.966 ( -23.859 0.000 1.225) 23.890 21.207 ( -16.269 0.000 0.000) 16.269 21.258 ( -19.157 0.000 -1.264) 19.198 22.369 ( 6.603 0.000 0.827) 6.655 22.476 ( 7.580 0.000 -0.951) 7.639 22.634 ( 10.665 0.000 0.574) 10.681 22.665 ( 10.328 0.000 -0.247) 10.331 27.259 ( -27.863 0.000 0.604) 27.870 27.301 ( -30.089 0.000 0.485) 30.093 27.741 ( -20.331 0.000 10.144) 22.721 28.024 ( -8.031 0.000 -15.668) 17.606 29.268 ( 5.378 0.000 -1.898) 5.703 29.329 ( 5.892 0.000 0.595) 5.922 29.460 ( 7.629 0.000 5.295) 9.287 29.685 ( 7.602 0.000 -6.231) 9.829 31.352 ( -15.314 0.000 3.010) 15.607 31.460 ( -14.898 0.000 -3.903) 15.401 31.629 ( -8.231 0.000 2.836) 8.705 31.689 ( -7.795 0.000 -4.077) 8.797 32.522 ( 14.573 0.000 4.500) 15.252 32.534 ( 13.103 0.000 2.175) 13.283 32.788 ( 12.622 0.000 -3.503) 13.099 32.931 ( 14.110 0.000 2.708) 14.367 36.064 ( 0.061 0.000 8.523) 8.523 36.160 ( 2.713 0.000 8.374) 8.802 36.245 ( 1.953 0.000 -7.646) 7.891 36.365 ( 4.140 0.000 -6.750) 7.918 37.160 ( 1.036 0.000 -1.259) 1.631 37.168 ( 0.943 0.000 0.634) 1.137 37.581 ( 10.978 0.000 9.620) 14.597 37.634 ( 9.927 0.000 -9.299) 13.602 ======================= Grid point 118 (60/84) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -6.441 0.000 11.594) 13.263 1.753 ( -13.325 0.000 3.852) 13.870 1.805 ( -14.592 0.000 0.819) 14.615 2.061 ( -9.417 0.000 -15.290) 17.957 2.154 ( 3.056 0.000 -1.282) 3.314 2.192 ( -9.890 0.000 7.707) 12.539 2.283 ( 0.039 0.000 3.072) 3.072 2.416 ( -5.673 0.000 -6.340) 8.508 2.577 ( -12.334 0.000 -6.576) 13.977 2.799 ( -14.204 0.000 -0.569) 14.216 2.881 ( -9.704 0.000 4.476) 10.687 3.025 ( -16.267 0.000 -0.996) 16.297 3.082 ( -7.604 0.000 3.092) 8.208 3.386 ( -4.060 0.000 2.133) 4.586 3.409 ( -8.101 0.000 0.681) 8.130 3.465 ( 2.457 0.000 7.695) 8.078 3.568 ( -4.434 0.000 -1.834) 4.799 3.688 ( -1.486 0.000 0.243) 1.506 3.810 ( 4.397 0.000 5.841) 7.311 4.030 ( 8.560 0.000 -4.095) 9.489 4.051 ( 7.153 0.000 6.231) 9.486 4.150 ( 7.336 0.000 -8.387) 11.143 4.231 ( 13.469 0.000 -7.147) 15.248 4.448 ( 3.259 0.000 -3.271) 4.617 4.468 ( -4.570 0.000 -1.133) 4.708 4.796 ( 4.254 0.000 3.068) 5.245 4.811 ( -5.086 0.000 -1.132) 5.211 5.015 ( -2.345 0.000 6.073) 6.510 5.159 ( 1.585 0.000 0.166) 1.593 5.182 ( -8.114 0.000 -2.441) 8.473 5.209 ( -0.659 0.000 3.173) 3.241 5.348 ( -4.831 0.000 -3.260) 5.828 5.421 ( -7.899 0.000 3.881) 8.801 5.681 ( -12.910 0.000 -1.867) 13.045 5.737 ( -10.513 0.000 2.430) 10.790 5.775 ( -11.700 0.000 -4.270) 12.454 7.081 ( -13.503 0.000 1.593) 13.596 7.290 ( -11.853 0.000 -1.160) 11.909 7.374 ( -15.519 0.000 1.515) 15.593 7.385 ( -18.005 0.000 -2.065) 18.123 8.239 ( 2.468 0.000 0.092) 2.470 8.270 ( -1.039 0.000 0.358) 1.099 8.402 ( -5.239 0.000 -0.372) 5.252 8.543 ( -2.384 0.000 1.056) 2.607 8.863 ( -13.657 0.000 -2.079) 13.814 8.959 ( -16.431 0.000 -0.371) 16.435 9.056 ( -16.315 0.000 1.417) 16.377 9.273 ( -18.766 0.000 0.945) 18.790 10.484 ( 13.814 0.000 -1.071) 13.855 10.524 ( 17.507 0.000 0.807) 17.526 10.635 ( 17.937 0.000 1.001) 17.965 10.750 ( 14.336 0.000 -1.031) 14.373 11.430 ( -9.944 0.000 3.018) 10.392 11.430 ( -13.066 0.000 -5.084) 14.020 11.694 ( -10.706 0.000 0.109) 10.706 11.741 ( -8.412 0.000 0.434) 8.423 12.567 ( -0.824 0.000 0.682) 1.070 12.569 ( -2.283 0.000 0.644) 2.372 12.689 ( 0.831 0.000 -0.216) 0.858 12.751 ( -1.479 0.000 -0.183) 1.490 13.772 ( 9.118 0.000 -0.610) 9.138 13.789 ( 9.327 0.000 0.881) 9.368 14.252 ( -0.464 0.000 0.060) 0.468 14.329 ( -3.585 0.000 0.431) 3.611 14.802 ( -3.222 0.000 0.111) 3.223 14.847 ( -2.101 0.000 -0.982) 2.319 15.022 ( -1.044 0.000 2.749) 2.941 15.215 ( 9.363 0.000 -5.163) 10.692 16.141 ( 21.134 0.000 -0.468) 21.139 16.177 ( 14.389 0.000 -1.096) 14.431 16.239 ( 17.830 0.000 -0.417) 17.835 16.306 ( 19.808 0.000 0.691) 19.820 16.522 ( 1.673 0.000 -1.083) 1.993 16.626 ( 5.560 0.000 0.785) 5.615 16.692 ( 1.798 0.000 3.161) 3.637 16.800 ( 10.345 0.000 -2.400) 10.620 20.495 ( -21.183 0.000 0.137) 21.184 20.514 ( -22.076 0.000 -3.736) 22.390 20.851 ( -19.826 0.000 -0.881) 19.845 20.853 ( -17.560 0.000 1.094) 17.594 22.497 ( 5.372 0.000 1.291) 5.525 22.605 ( 4.871 0.000 -1.489) 5.093 22.809 ( 6.404 0.000 0.104) 6.405 22.843 ( 6.995 0.000 0.203) 6.998 26.631 ( -33.296 0.000 -0.492) 33.300 26.650 ( -33.490 0.000 1.263) 33.514 27.207 ( -32.854 0.000 14.891) 36.071 27.704 ( -23.013 0.000 -28.456) 36.597 29.366 ( 4.242 0.000 -1.601) 4.534 29.420 ( 3.550 0.000 1.747) 3.957 29.616 ( 6.284 0.000 2.422) 6.735 29.811 ( 4.345 0.000 -4.285) 6.103 31.071 ( -12.230 0.000 3.723) 12.784 31.184 ( -11.779 0.000 -4.592) 12.643 31.520 ( -2.447 0.000 5.114) 5.669 31.595 ( -0.296 0.000 -6.789) 6.795 32.781 ( 11.026 0.000 4.308) 11.837 32.802 ( 12.524 0.000 6.810) 14.256 33.048 ( 12.642 0.000 -4.584) 13.448 33.198 ( 11.720 0.000 2.214) 11.927 36.075 ( 0.618 0.000 9.346) 9.367 36.249 ( 5.534 0.000 9.301) 10.823 36.275 ( 1.552 0.000 -7.325) 7.488 36.469 ( 6.166 0.000 -5.784) 8.454 37.192 ( 1.367 0.000 1.103) 1.756 37.195 ( 2.465 0.000 -2.075) 3.222 37.871 ( 17.109 0.000 12.776) 21.353 37.901 ( 17.080 0.000 -12.094) 20.929 ======================= Grid point 119 (61/84) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -28.743 0.000 11.683) 31.027 1.440 ( -2.640 0.000 18.668) 18.854 1.753 ( -13.905 0.000 -18.472) 23.120 1.875 ( 1.177 0.000 -5.635) 5.756 1.980 ( -11.933 0.000 4.807) 12.865 2.147 ( -2.819 0.000 -6.378) 6.973 2.267 ( -3.742 0.000 0.311) 3.755 2.274 ( -13.175 0.000 1.352) 13.244 2.390 ( -4.717 0.000 -6.120) 7.727 2.469 ( -14.467 0.000 -5.927) 15.634 2.628 ( -15.426 0.000 13.535) 20.522 2.768 ( -5.443 0.000 2.518) 5.997 2.916 ( -7.947 0.000 3.289) 8.600 3.116 ( -18.961 0.000 2.749) 19.159 3.300 ( -5.398 0.000 1.411) 5.579 3.421 ( -11.936 0.000 -0.034) 11.936 3.458 ( -6.234 0.000 3.296) 7.052 3.562 ( -9.667 0.000 -10.321) 14.141 3.850 ( -3.200 0.000 -1.538) 3.551 4.127 ( -0.911 0.000 -6.059) 6.127 4.138 ( 1.072 0.000 10.743) 10.797 4.250 ( 2.445 0.000 -6.506) 6.950 4.415 ( -1.573 0.000 5.662) 5.876 4.424 ( 8.397 0.000 -9.158) 12.425 4.558 ( 11.326 0.000 1.423) 11.415 4.709 ( -12.238 0.000 0.728) 12.259 4.712 ( -3.822 0.000 -4.964) 6.265 4.957 ( -2.157 0.000 10.290) 10.514 5.012 ( -6.116 0.000 4.284) 7.467 5.186 ( -1.162 0.000 -0.150) 1.171 5.213 ( -4.349 0.000 -1.480) 4.593 5.271 ( 1.041 0.000 -6.669) 6.749 5.421 ( 13.225 0.000 7.738) 15.323 5.510 ( -1.794 0.000 0.191) 1.804 5.536 ( -8.822 0.000 -0.332) 8.828 5.565 ( -7.817 0.000 -2.045) 8.081 6.872 ( -7.714 0.000 -0.237) 7.718 7.069 ( -9.009 0.000 -1.662) 9.161 7.119 ( -8.477 0.000 2.610) 8.869 7.160 ( -4.968 0.000 -1.393) 5.160 8.271 ( -3.634 0.000 -0.497) 3.668 8.276 ( 0.064 0.000 0.518) 0.522 8.289 ( -1.520 0.000 0.414) 1.576 8.440 ( -6.896 0.000 1.287) 7.015 8.616 ( -10.555 0.000 -1.852) 10.716 8.704 ( -8.275 0.000 0.241) 8.279 8.768 ( -11.712 0.000 0.891) 11.746 8.934 ( -14.424 0.000 0.692) 14.440 10.768 ( 12.748 0.000 -0.002) 12.748 10.841 ( 11.293 0.000 -0.113) 11.293 10.957 ( 12.698 0.000 1.199) 12.755 11.005 ( 9.687 0.000 -1.301) 9.774 11.275 ( -0.700 0.000 -3.994) 4.055 11.350 ( 2.681 0.000 2.309) 3.538 11.542 ( -4.291 0.000 -0.298) 4.301 11.627 ( -2.339 0.000 -0.004) 2.339 12.514 ( -2.693 0.000 0.813) 2.813 12.524 ( -2.602 0.000 0.569) 2.664 12.673 ( -2.710 0.000 -0.432) 2.744 12.709 ( -3.302 0.000 0.387) 3.325 13.955 ( 5.149 0.000 2.336) 5.654 13.959 ( 8.480 0.000 -1.503) 8.612 14.147 ( -6.931 0.000 -1.132) 7.023 14.172 ( -9.616 0.000 0.979) 9.666 14.641 ( -11.034 0.000 0.501) 11.045 14.707 ( -9.287 0.000 -0.961) 9.337 14.942 ( -8.890 0.000 4.412) 9.925 15.358 ( 1.159 0.000 -13.980) 14.028 16.312 ( -1.715 0.000 -3.812) 4.180 16.347 ( -1.360 0.000 -0.675) 1.519 16.402 ( -2.659 0.000 -0.650) 2.737 16.428 ( -7.551 0.000 2.947) 8.105 16.772 ( 19.957 0.000 -0.934) 19.978 16.850 ( 16.315 0.000 0.261) 16.317 16.918 ( 21.355 0.000 0.914) 21.375 17.119 ( 19.345 0.000 -1.696) 19.419 20.117 ( -15.363 0.000 -2.969) 15.647 20.173 ( -9.688 0.000 -0.498) 9.701 20.497 ( -14.445 0.000 0.099) 14.445 20.536 ( -13.375 0.000 1.660) 13.477 22.576 ( 2.421 0.000 1.298) 2.747 22.665 ( 1.125 0.000 -1.440) 1.827 22.899 ( 2.938 0.000 -0.472) 2.975 22.945 ( 3.177 0.000 0.662) 3.245 25.967 ( -30.762 0.000 -0.440) 30.765 25.995 ( -30.188 0.000 1.253) 30.214 26.459 ( -40.856 0.000 14.598) 43.386 27.025 ( -42.997 0.000 -38.890) 57.975 29.436 ( 2.830 0.000 -1.050) 3.019 29.478 ( 2.069 0.000 1.258) 2.421 29.705 ( 2.704 0.000 1.250) 2.980 29.846 ( -0.267 0.000 -2.330) 2.345 30.872 ( -7.676 0.000 4.472) 8.884 30.988 ( -7.272 0.000 -5.233) 8.959 31.528 ( 2.180 0.000 8.154) 8.441 31.662 ( 6.456 0.000 -10.511) 12.336 32.988 ( 9.419 0.000 5.303) 10.810 33.027 ( 9.100 0.000 8.357) 12.355 33.275 ( 9.733 0.000 -4.275) 10.630 33.395 ( 7.432 0.000 1.406) 7.564 36.101 ( 1.281 0.000 10.141) 10.222 36.301 ( 1.396 0.000 -6.589) 6.735 36.389 ( 7.468 0.000 8.956) 11.662 36.587 ( 5.363 0.000 -4.198) 6.811 37.224 ( 1.721 0.000 1.830) 2.512 37.254 ( 3.367 0.000 -3.154) 4.613 38.292 ( 23.772 0.000 14.637) 27.917 38.300 ( 22.529 0.000 -12.056) 25.552 ======================= Grid point 120 (62/84) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -5.922 0.000 6.854) 9.058 1.361 ( -10.335 0.000 21.739) 24.071 1.361 ( -15.777 0.000 -11.634) 19.603 1.667 ( -18.987 0.000 2.169) 19.111 1.898 ( -17.734 0.000 8.694) 19.751 1.966 ( 4.126 0.000 -7.014) 8.137 2.082 ( -10.518 0.000 -6.043) 12.130 2.109 ( -2.715 0.000 -4.247) 5.041 2.286 ( -10.576 0.000 7.572) 13.007 2.346 ( 0.299 0.000 -7.624) 7.630 2.410 ( -0.421 0.000 9.825) 9.834 2.742 ( -15.822 0.000 4.629) 16.485 2.754 ( 0.469 0.000 4.208) 4.234 2.799 ( -3.665 0.000 0.891) 3.772 3.059 ( -20.001 0.000 6.254) 20.956 3.097 ( -13.537 0.000 -2.921) 13.849 3.185 ( -17.663 0.000 -4.759) 18.293 3.376 ( -7.653 0.000 -21.030) 22.379 3.716 ( -3.598 0.000 3.377) 4.934 4.028 ( -5.944 0.000 -8.120) 10.063 4.205 ( 4.020 0.000 11.893) 12.554 4.319 ( 3.961 0.000 -3.148) 5.060 4.421 ( 1.349 0.000 7.376) 7.499 4.565 ( 2.978 0.000 -6.329) 6.994 4.618 ( 2.553 0.000 4.973) 5.590 4.702 ( 4.456 0.000 -5.857) 7.359 4.722 ( 5.017 0.000 -2.458) 5.586 4.870 ( -7.690 0.000 3.235) 8.343 4.956 ( 0.653 0.000 9.757) 9.779 5.137 ( -1.513 0.000 -2.906) 3.277 5.167 ( -0.887 0.000 -2.754) 2.894 5.227 ( -4.606 0.000 -5.573) 7.230 5.392 ( -4.549 0.000 -0.405) 4.566 5.436 ( -5.317 0.000 -1.075) 5.424 5.667 ( 15.179 0.000 8.066) 17.189 5.909 ( 29.935 0.000 3.134) 30.099 6.743 ( -5.104 0.000 -1.424) 5.299 6.945 ( -4.386 0.000 -0.813) 4.461 7.034 ( -1.016 0.000 2.354) 2.564 7.100 ( -2.115 0.000 -0.570) 2.190 8.151 ( -5.047 0.000 0.459) 5.068 8.220 ( -4.775 0.000 -0.294) 4.784 8.314 ( 1.415 0.000 1.030) 1.750 8.321 ( -3.507 0.000 -0.900) 3.621 8.476 ( -3.149 0.000 0.096) 3.151 8.592 ( -3.632 0.000 1.057) 3.783 8.594 ( -5.871 0.000 0.012) 5.871 8.688 ( -10.340 0.000 -1.199) 10.409 10.928 ( 0.169 0.000 0.234) 0.289 10.943 ( 4.885 0.000 -0.217) 4.890 11.108 ( 2.443 0.000 1.711) 2.983 11.131 ( 3.281 0.000 -1.977) 3.831 11.404 ( 9.895 0.000 -1.528) 10.012 11.494 ( 6.027 0.000 1.657) 6.251 11.536 ( 5.701 0.000 0.038) 5.701 11.653 ( 3.598 0.000 -0.410) 3.622 12.477 ( -0.504 0.000 0.177) 0.534 12.483 ( -1.279 0.000 0.853) 1.538 12.585 ( -5.362 0.000 -0.281) 5.369 12.611 ( -5.986 0.000 0.237) 5.990 13.887 ( -7.074 0.000 0.585) 7.098 13.933 ( -8.004 0.000 -0.030) 8.004 14.145 ( 3.179 0.000 0.271) 3.191 14.177 ( 8.487 0.000 -0.591) 8.508 14.390 ( -12.124 0.000 0.474) 12.133 14.513 ( -9.621 0.000 -1.458) 9.731 14.654 ( -16.867 0.000 1.096) 16.903 14.990 ( -39.884 0.000 -22.600) 45.842 16.223 ( -4.097 0.000 -0.892) 4.193 16.229 ( -7.384 0.000 1.244) 7.488 16.306 ( -3.382 0.000 0.391) 3.404 16.321 ( -1.438 0.000 -0.841) 1.666 17.108 ( 11.943 0.000 -0.090) 11.943 17.136 ( 10.299 0.000 -0.035) 10.299 17.325 ( 16.273 0.000 0.838) 16.294 17.454 ( 11.732 0.000 -1.284) 11.802 19.970 ( 1.947 0.000 1.059) 2.216 20.088 ( -0.342 0.000 0.392) 0.520 20.284 ( -6.717 0.000 0.970) 6.786 20.326 ( -7.470 0.000 1.404) 7.601 22.604 ( 0.693 0.000 0.794) 1.054 22.657 ( -1.390 0.000 -0.735) 1.572 22.946 ( 2.106 0.000 -1.098) 2.375 22.977 ( 0.118 0.000 0.988) 0.995 25.457 ( -18.200 0.000 0.116) 18.200 25.487 ( -18.819 0.000 0.592) 18.829 25.672 ( -33.707 0.000 6.074) 34.250 25.976 ( -53.343 0.000 -26.186) 59.424 29.480 ( 1.658 0.000 -0.501) 1.732 29.505 ( 0.512 0.000 0.560) 0.759 29.743 ( 1.315 0.000 0.872) 1.578 29.820 ( -1.754 0.000 -1.067) 2.053 30.764 ( -3.403 0.000 5.063) 6.100 30.882 ( -3.145 0.000 -5.774) 6.575 31.586 ( 2.223 0.000 10.606) 10.836 31.796 ( 6.412 0.000 -13.744) 15.167 33.171 ( 4.499 0.000 8.678) 9.775 33.173 ( 8.593 0.000 3.530) 9.290 33.427 ( 5.462 0.000 -3.107) 6.284 33.496 ( 2.535 0.000 0.062) 2.536 36.133 ( 1.197 0.000 10.719) 10.785 36.320 ( 0.780 0.000 -6.126) 6.175 36.543 ( 6.733 0.000 5.418) 8.642 36.666 ( 2.441 0.000 -2.568) 3.543 37.260 ( 1.523 0.000 2.456) 2.890 37.316 ( 2.702 0.000 -4.054) 4.872 38.745 ( 20.050 0.000 -6.017) 20.933 38.805 ( 23.274 0.000 7.501) 24.453 ======================= Grid point 121 (63/84) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( -27.835 12.403 17.982) 35.383 1.161 ( 14.306 7.159 18.050) 24.119 1.348 ( 14.316 5.889 -11.574) 19.328 1.474 ( -8.114 4.599 -1.766) 9.493 1.726 ( 1.250 2.079 14.788) 14.986 1.905 ( 1.188 -5.993 -9.482) 11.280 1.952 ( -0.782 -2.172 -8.008) 8.335 1.966 ( 0.324 -5.901 -4.996) 7.738 2.165 ( 0.611 -6.444 3.188) 7.216 2.225 ( 3.614 -5.391 -1.553) 6.673 2.517 ( -2.258 -0.076 4.917) 5.411 2.614 ( 1.424 3.783 -2.391) 4.696 2.723 ( 3.975 -0.994 6.762) 7.906 2.760 ( -4.320 -1.319 6.495) 7.911 2.853 ( -4.638 1.921 -3.918) 6.368 2.878 ( 4.147 0.318 -4.803) 6.354 3.076 ( 0.906 6.626 7.872) 10.330 3.379 ( -1.932 12.210 -21.422) 24.733 3.807 ( 4.373 3.793 7.793) 9.708 3.912 ( -4.256 -3.642 -2.232) 6.030 4.202 ( 0.010 -1.680 5.554) 5.803 4.285 ( -1.574 -2.876 1.074) 3.450 4.492 ( 0.951 -0.461 2.792) 2.985 4.550 ( -2.684 -2.279 3.090) 4.685 4.649 ( 1.426 1.222 0.010) 1.877 4.736 ( -0.526 -0.304 -4.063) 4.108 4.822 ( 0.167 2.999 -1.676) 3.440 4.844 ( 2.537 3.224 -2.476) 4.792 5.039 ( 2.870 2.042 6.643) 7.519 5.150 ( -0.918 0.790 -2.601) 2.869 5.162 ( -1.431 1.119 -2.101) 2.777 5.172 ( -0.294 2.809 -3.383) 4.407 5.311 ( -2.757 -2.597 1.085) 3.940 5.341 ( 1.224 -1.324 -2.015) 2.704 5.788 ( 4.109 -15.703 11.987) 20.178 5.954 ( -5.130 -23.930 -3.661) 24.746 6.795 ( 2.074 2.496 3.516) 4.785 6.891 ( -1.471 4.551 -6.675) 8.212 7.012 ( -0.332 -1.946 3.386) 3.919 7.089 ( 1.810 0.601 -4.548) 4.932 8.099 ( 2.545 -0.468 0.650) 2.668 8.111 ( -2.489 -1.659 -0.540) 3.040 8.360 ( 3.358 -5.106 0.095) 6.112 8.363 ( -2.972 -4.163 -0.178) 5.118 8.401 ( -1.878 3.366 0.350) 3.871 8.410 ( 2.010 2.496 -0.520) 3.246 8.593 ( 0.403 1.251 0.581) 1.437 8.605 ( -0.646 1.192 -0.659) 1.508 10.954 ( 1.786 0.231 1.924) 2.635 10.999 ( -0.944 0.100 -2.584) 2.753 11.097 ( 0.879 -1.709 1.546) 2.466 11.131 ( -0.025 -1.396 -1.960) 2.407 11.524 ( -1.495 -0.230 0.460) 1.581 11.542 ( 2.023 -0.811 -1.414) 2.598 11.688 ( -2.665 1.604 0.470) 3.145 11.691 ( 2.271 1.951 0.097) 2.996 12.491 ( 0.476 0.922 1.361) 1.711 12.508 ( 0.349 0.695 1.189) 1.421 12.520 ( -0.685 1.010 -1.536) 1.962 12.536 ( -0.041 1.327 -1.471) 1.981 13.897 ( -3.882 6.164 1.350) 7.409 13.935 ( 7.259 7.590 -2.902) 10.896 14.168 ( -14.092 1.583 0.774) 14.202 14.192 ( 5.505 1.750 -1.618) 5.999 14.339 ( 1.046 -1.375 0.516) 1.803 14.347 ( 0.392 -1.310 -0.264) 1.392 14.382 ( -6.597 0.817 -0.083) 6.648 14.385 ( 4.591 0.838 -0.412) 4.685 16.163 ( 0.187 1.075 0.913) 1.423 16.180 ( -0.199 0.737 -0.882) 1.166 16.274 ( 0.400 -1.212 1.588) 2.037 16.302 ( -0.444 -1.078 -1.346) 1.781 17.278 ( -0.043 3.977 0.558) 4.016 17.300 ( -0.220 5.504 -1.971) 5.850 17.520 ( 2.443 -0.154 1.330) 2.786 17.546 ( -2.321 -0.334 -1.270) 2.667 20.036 ( -2.131 -3.815 0.311) 4.381 20.042 ( 3.706 -4.777 -0.300) 6.053 20.215 ( 0.513 -1.157 1.013) 1.621 20.225 ( 0.061 -0.918 -0.117) 0.928 22.685 ( -0.916 5.339 0.666) 5.458 22.713 ( 1.089 8.001 -2.680) 8.508 22.943 ( -1.125 -2.026 1.230) 2.624 22.972 ( 1.187 -1.314 -1.664) 2.430 25.275 ( 1.003 -0.235 0.001) 1.031 25.278 ( 0.663 -0.222 -0.232) 0.736 25.294 ( -2.376 0.129 0.050) 2.380 25.295 ( -0.781 0.153 -0.026) 0.796 29.558 ( 0.937 5.065 0.893) 5.227 29.588 ( -1.069 6.853 -2.429) 7.348 29.759 ( 1.344 -1.161 0.981) 2.029 29.777 ( -1.320 -1.084 -0.897) 1.929 30.893 ( -0.373 13.096 -1.118) 13.149 30.940 ( 0.240 11.277 -5.148) 12.399 31.570 ( -1.005 -3.633 10.342) 11.008 31.823 ( 0.984 -5.169 -15.276) 16.157 33.219 ( -0.124 0.521 6.760) 6.781 33.304 ( 4.428 -1.644 -1.326) 4.905 33.498 ( 0.919 0.376 -1.218) 1.572 33.502 ( -1.883 0.361 -1.262) 2.296 36.166 ( 0.235 1.245 10.535) 10.611 36.317 ( -0.230 -0.897 -4.637) 4.729 36.537 ( 1.229 -7.446 4.276) 8.674 36.610 ( -0.744 -6.112 -3.256) 6.965 37.400 ( -0.434 11.661 4.034) 12.347 37.498 ( 0.454 12.753 -5.865) 14.045 38.845 ( -5.419 -15.643 3.553) 16.932 38.888 ( 2.957 -11.568 -1.455) 12.029 ======================= Grid point 122 (64/84) ======================= q-point: ( 0.09 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 21.790 17.764 7.928) 29.210 1.376 ( 8.513 0.099 21.831) 23.432 1.419 ( 4.260 3.679 -3.369) 6.559 1.748 ( 9.913 -0.142 -10.868) 14.711 1.854 ( 8.042 3.313 5.764) 10.435 1.938 ( 7.303 -4.164 -0.927) 8.457 2.028 ( 12.366 0.055 -5.852) 13.681 2.041 ( -0.442 -4.331 -5.660) 7.141 2.242 ( 4.583 -3.255 -6.307) 8.448 2.296 ( 7.390 -5.357 1.533) 9.255 2.557 ( 6.317 -0.671 3.575) 7.290 2.682 ( 6.852 -1.799 0.741) 7.123 2.850 ( 8.737 2.674 3.349) 9.732 2.937 ( 11.307 3.769 -2.013) 12.088 3.008 ( 20.474 -0.891 9.171) 22.452 3.142 ( 16.587 0.586 -3.034) 16.873 3.164 ( 10.065 1.805 1.737) 10.372 3.387 ( 5.776 11.620 -17.268) 21.600 3.840 ( -1.115 0.042 -2.150) 2.422 3.918 ( 5.224 1.387 7.283) 9.069 4.160 ( -4.009 -5.976 5.048) 8.790 4.212 ( -4.711 -0.792 4.743) 6.732 4.468 ( -2.817 -1.986 0.247) 3.456 4.498 ( -1.262 -2.410 1.604) 3.158 4.636 ( -2.576 2.635 -1.771) 4.089 4.721 ( -0.847 0.717 -3.521) 3.692 4.791 ( -3.605 5.611 -2.673) 7.185 4.932 ( 4.650 -0.291 -1.043) 4.774 5.062 ( -0.710 -2.332 5.065) 5.621 5.106 ( -1.601 0.004 -0.503) 1.678 5.129 ( 1.150 0.187 -3.177) 3.384 5.207 ( -0.546 6.136 0.532) 6.183 5.332 ( 5.563 -5.280 0.862) 7.719 5.405 ( 4.065 -1.849 0.059) 4.466 5.643 ( -15.247 -10.695 3.290) 18.912 5.718 ( -10.850 -9.817 4.100) 15.196 6.792 ( 2.523 4.011 -1.759) 5.054 6.915 ( 1.757 1.785 1.936) 3.166 7.023 ( 1.480 -3.082 2.062) 3.993 7.125 ( 1.269 0.194 -4.306) 4.494 8.127 ( 4.290 -2.286 -0.450) 4.882 8.230 ( 7.627 1.219 0.023) 7.724 8.299 ( -1.050 -2.109 -0.959) 2.544 8.364 ( 0.764 0.968 -0.034) 1.234 8.459 ( 6.201 0.332 -0.520) 6.231 8.600 ( 8.559 0.004 -1.460) 8.683 8.624 ( 3.351 0.783 0.031) 3.442 8.662 ( 8.391 0.109 1.249) 8.484 10.955 ( -1.741 0.735 -0.519) 1.960 10.979 ( -2.734 1.741 -2.033) 3.827 11.072 ( -1.805 -1.907 0.791) 2.743 11.135 ( -3.193 -1.190 -1.572) 3.753 11.394 ( -9.703 0.649 0.020) 9.725 11.515 ( -4.373 -3.102 -1.016) 5.457 11.544 ( -7.825 1.436 -1.267) 8.056 11.629 ( -5.144 -0.789 0.971) 5.294 12.483 ( 1.057 1.750 -0.117) 2.048 12.537 ( 1.583 2.911 1.213) 3.529 12.593 ( 4.764 0.059 -1.785) 5.088 12.625 ( 6.221 0.369 -0.153) 6.234 13.881 ( 5.027 0.124 -0.258) 5.035 13.992 ( 3.696 4.214 0.084) 5.606 14.092 ( -3.676 -4.918 -0.783) 6.190 14.181 ( -5.391 -1.122 0.161) 5.509 14.475 ( 12.282 4.689 -2.406) 13.365 14.492 ( 12.389 2.000 2.237) 12.747 14.671 ( 23.065 -2.981 -1.395) 23.298 14.710 ( 22.847 -1.411 2.158) 22.992 16.217 ( 4.420 0.940 0.479) 4.544 16.248 ( 6.143 -0.084 -0.311) 6.151 16.299 ( 2.632 -1.189 0.477) 2.927 16.307 ( 2.548 -0.630 -0.665) 2.708 17.155 ( -12.198 4.157 0.368) 12.892 17.175 ( -11.574 3.612 -0.985) 12.165 17.354 ( -15.910 0.336 -1.693) 16.003 17.419 ( -12.168 -0.547 1.465) 12.268 19.984 ( 0.122 -1.213 -1.742) 2.126 20.069 ( 0.704 -2.838 -0.338) 2.943 20.280 ( 6.414 -0.991 0.223) 6.494 20.327 ( 8.414 -2.499 -0.793) 8.813 22.671 ( -0.632 4.818 -0.250) 4.866 22.715 ( -0.552 6.908 -0.859) 6.983 22.917 ( -1.431 -1.746 0.532) 2.319 22.979 ( -0.669 -1.692 -1.023) 2.088 25.467 ( 18.729 0.869 0.241) 18.751 25.519 ( 21.286 1.851 -1.546) 21.422 25.633 ( 31.508 -2.807 7.935) 32.613 25.814 ( 44.837 -6.764 -13.071) 47.190 29.550 ( -2.436 6.315 -1.926) 7.037 29.566 ( -0.367 5.331 0.999) 5.436 29.754 ( -0.878 -1.349 -1.557) 2.239 29.785 ( 1.002 -1.298 1.274) 2.077 30.905 ( 1.813 11.329 -0.159) 11.474 30.960 ( 2.205 9.980 -4.457) 11.150 31.522 ( -3.927 -3.245 9.580) 10.851 31.777 ( -4.241 -5.334 -13.504) 15.126 33.175 ( -4.321 1.433 3.928) 6.013 33.315 ( -3.374 -1.740 -6.446) 7.481 33.412 ( -6.816 0.949 -1.075) 6.965 33.484 ( -2.377 -1.525 0.264) 2.837 36.164 ( -0.987 1.165 10.439) 10.550 36.298 ( -1.287 -0.830 -4.970) 5.200 36.519 ( -3.266 -6.821 4.996) 9.064 36.566 ( -3.286 -5.209 -3.944) 7.314 37.357 ( -3.763 10.027 3.964) 11.420 37.466 ( -3.002 11.681 -5.367) 13.201 38.483 ( -25.924 -7.593 12.230) 29.653 38.769 ( -13.664 -11.081 -2.882) 17.827 ======================= Grid point 123 (65/84) ======================= q-point: ( 0.18 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 23.832 6.073 2.208) 24.693 1.550 ( 10.192 2.411 -2.625) 10.797 1.624 ( 13.132 -3.455 12.469) 18.435 1.755 ( 0.048 -4.101 -0.137) 4.104 1.923 ( -0.197 2.785 -4.721) 5.485 2.066 ( 4.157 -6.724 -7.932) 11.199 2.210 ( 7.457 -3.108 -3.399) 8.765 2.277 ( 10.038 -4.384 0.316) 10.958 2.334 ( 9.894 2.185 -4.783) 11.205 2.510 ( 14.460 3.307 3.732) 15.296 2.761 ( 12.381 1.357 2.904) 12.789 2.889 ( 10.482 -0.782 0.724) 10.536 2.953 ( 4.905 2.581 0.393) 5.556 3.143 ( 7.443 6.997 -1.074) 10.272 3.347 ( 11.792 -0.359 2.306) 12.021 3.396 ( 6.171 -1.222 -9.359) 11.277 3.481 ( 15.336 -0.242 4.191) 15.900 3.590 ( 10.100 -0.316 -2.670) 10.451 3.871 ( 2.536 6.090 -1.512) 6.768 4.016 ( 1.233 -3.731 5.728) 6.946 4.094 ( -0.769 -8.889 2.978) 9.406 4.130 ( -3.068 6.170 5.813) 9.015 4.416 ( -2.310 -4.132 -1.571) 4.987 4.461 ( -8.795 -1.636 -3.864) 9.744 4.631 ( 8.755 2.129 1.568) 9.146 4.661 ( -5.039 5.244 -4.997) 8.824 4.767 ( 4.405 5.124 0.957) 6.825 4.981 ( -0.916 -6.650 5.500) 8.679 5.035 ( 2.443 -2.836 0.944) 3.861 5.105 ( -4.433 -6.736 -4.201) 9.092 5.180 ( 5.782 0.542 2.948) 6.513 5.203 ( 1.792 2.197 2.467) 3.758 5.447 ( 2.795 1.023 3.981) 4.971 5.488 ( 8.023 -2.291 -0.855) 8.388 5.553 ( 0.307 0.414 -2.367) 2.422 5.583 ( 5.540 1.055 -1.312) 5.790 6.911 ( 9.048 2.389 -2.360) 9.651 7.012 ( 8.854 0.237 3.446) 9.504 7.098 ( 6.205 -2.321 1.417) 6.774 7.173 ( 5.388 -0.608 -2.016) 5.784 8.229 ( 3.586 -2.884 0.574) 4.638 8.266 ( 1.187 -1.492 -0.747) 2.047 8.334 ( -0.498 1.816 -1.076) 2.169 8.440 ( 5.851 -0.857 0.259) 5.919 8.620 ( 10.210 1.931 -0.553) 10.406 8.726 ( 9.195 -0.364 -1.982) 9.413 8.806 ( 12.121 3.177 0.529) 12.541 8.922 ( 15.346 -0.263 1.391) 15.411 10.802 ( -13.818 2.178 -0.806) 14.012 10.854 ( -10.926 1.536 -0.022) 11.034 10.964 ( -10.248 -1.690 1.484) 10.492 10.970 ( -12.630 -1.482 -1.730) 12.834 11.254 ( -0.391 2.313 0.336) 2.370 11.417 ( -0.341 0.661 -3.085) 3.173 11.518 ( 4.134 -2.536 -0.573) 4.884 11.611 ( 3.338 -1.686 -0.426) 3.764 12.517 ( 2.008 1.122 -0.100) 2.303 12.570 ( 1.674 2.893 1.256) 3.571 12.667 ( 2.232 -1.056 -1.601) 2.943 12.717 ( 2.563 -0.526 -0.143) 2.620 13.925 ( -5.521 -0.298 0.292) 5.537 14.023 ( -1.629 1.150 -2.263) 3.016 14.105 ( 3.242 -1.599 0.626) 3.668 14.186 ( 8.973 -0.340 0.717) 9.008 14.677 ( 9.048 1.657 0.395) 9.207 14.715 ( 9.141 3.221 -0.372) 9.699 14.995 ( 6.864 -7.309 -0.481) 10.039 15.046 ( 7.066 -5.479 2.390) 9.255 16.286 ( 1.094 0.851 -0.117) 1.391 16.338 ( 1.796 -0.146 -0.124) 1.806 16.377 ( 2.787 -0.832 0.976) 3.068 16.450 ( 6.592 -2.793 -0.896) 7.215 16.802 ( -21.157 3.271 -0.047) 21.409 16.867 ( -17.114 1.440 -0.285) 17.177 16.965 ( -19.716 1.083 -2.251) 19.874 17.073 ( -20.281 -0.962 1.598) 20.366 20.112 ( 13.134 0.685 -1.112) 13.198 20.174 ( 11.267 -0.495 -1.266) 11.349 20.483 ( 13.729 -0.746 0.402) 13.755 20.549 ( 13.578 -1.910 -1.074) 13.754 22.643 ( -2.580 3.737 -1.064) 4.664 22.687 ( -2.436 5.115 0.593) 5.697 22.880 ( -2.618 -1.844 -0.104) 3.204 22.936 ( -3.672 -1.986 -0.292) 4.185 25.987 ( 31.109 2.938 1.286) 31.274 26.073 ( 31.992 5.092 -3.101) 32.543 26.403 ( 40.003 -6.366 16.923) 43.899 26.743 ( 43.236 -12.752 -22.898) 50.560 29.484 ( -3.972 5.845 -1.118) 7.155 29.542 ( -2.225 4.731 0.970) 5.318 29.731 ( -1.621 -1.876 -3.105) 3.974 29.788 ( -1.309 -1.756 2.054) 3.003 30.979 ( 5.789 7.997 0.969) 9.920 31.036 ( 5.823 7.065 -3.666) 9.862 31.451 ( -2.670 -2.311 7.404) 8.203 31.666 ( -5.031 -4.551 -9.562) 11.724 33.057 ( -7.327 1.764 0.839) 7.583 33.173 ( -9.843 -0.982 -6.746) 11.974 33.228 ( -11.245 1.446 0.079) 11.338 33.388 ( -7.358 -3.193 0.356) 8.029 36.142 ( -1.658 1.008 10.024) 10.210 36.264 ( -1.699 -1.195 -4.653) 5.095 36.422 ( -6.138 -3.663 7.123) 10.091 36.479 ( -4.831 -3.538 -5.123) 7.881 37.273 ( -4.315 7.020 3.671) 9.021 37.385 ( -4.363 9.192 -4.269) 11.034 37.988 ( -21.659 -1.327 14.812) 26.272 38.409 ( -19.818 -8.632 -6.721) 22.637 ======================= Grid point 124 (66/84) ======================= q-point: ( 0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 2.322 -3.328 -3.164) 5.146 1.708 ( 8.542 -0.200 3.955) 9.415 1.900 ( 11.148 2.805 0.933) 11.533 1.969 ( 16.908 2.975 -6.298) 18.286 2.003 ( 10.916 -5.364 10.898) 16.331 2.130 ( 3.821 -3.546 -3.934) 6.531 2.281 ( 3.634 -3.191 -4.300) 6.472 2.448 ( 6.986 -1.472 0.034) 7.140 2.523 ( 9.504 1.052 -5.392) 10.977 2.830 ( 13.457 -0.445 2.229) 13.647 3.004 ( 4.881 -0.038 -3.617) 6.075 3.015 ( 8.361 5.622 6.704) 12.102 3.098 ( 6.941 3.258 0.359) 7.676 3.315 ( 8.473 -2.469 -0.223) 8.828 3.408 ( -0.720 -4.352 -3.170) 5.432 3.506 ( 3.106 -0.194 0.291) 3.125 3.640 ( 0.917 -1.323 -0.212) 1.624 3.695 ( 1.492 -4.291 0.126) 4.545 3.887 ( -5.387 0.212 9.659) 11.062 3.910 ( -3.069 2.717 -4.139) 5.825 4.085 ( -2.911 4.785 2.101) 5.982 4.122 ( -2.988 -0.446 -2.517) 3.933 4.214 ( -9.580 -0.983 -3.692) 10.314 4.366 ( -6.105 0.583 2.649) 6.680 4.557 ( -2.590 6.767 -1.143) 7.335 4.812 ( 3.786 0.893 -1.469) 4.158 4.874 ( 4.327 2.795 -1.136) 5.275 4.960 ( 1.196 -4.937 5.721) 7.651 5.066 ( 0.261 -3.417 -1.300) 3.666 5.137 ( 3.248 -2.251 0.394) 3.971 5.255 ( 3.988 -0.493 2.187) 4.575 5.300 ( 5.471 -0.484 1.086) 5.599 5.550 ( 6.058 3.540 -3.199) 7.712 5.605 ( 7.778 2.032 5.947) 10.000 5.732 ( 12.083 -0.754 -1.228) 12.169 5.800 ( 13.414 -1.099 -4.334) 14.139 7.155 ( 15.268 2.255 -3.042) 15.730 7.257 ( 11.948 0.327 2.152) 12.145 7.318 ( 18.505 -1.903 1.728) 18.683 7.379 ( 13.962 -2.219 -0.308) 14.141 8.238 ( -0.648 -0.495 0.106) 0.822 8.297 ( 0.512 1.437 -1.204) 1.943 8.363 ( 4.196 -2.775 0.368) 5.044 8.517 ( 1.832 -2.414 0.715) 3.114 8.874 ( 14.491 3.017 -0.308) 14.805 8.992 ( 16.618 -0.231 -2.937) 16.877 9.092 ( 15.735 3.482 1.097) 16.153 9.258 ( 17.413 -0.595 1.948) 17.531 10.492 ( -15.216 2.324 0.358) 15.396 10.551 ( -16.655 1.555 -0.341) 16.731 10.652 ( -16.937 -1.454 -2.097) 17.128 10.704 ( -14.802 -2.023 1.717) 15.038 11.387 ( 12.306 2.789 1.708) 12.734 11.515 ( 9.462 0.959 -3.836) 10.255 11.684 ( 11.667 -1.913 -0.674) 11.842 11.738 ( 9.032 -1.298 -0.971) 9.176 12.557 ( 1.455 0.108 -0.062) 1.460 12.598 ( 0.475 1.586 1.485) 2.224 12.687 ( 0.261 -1.450 -1.914) 2.416 12.737 ( 0.073 -1.310 0.287) 1.343 13.789 ( -7.364 3.595 -0.579) 8.215 13.878 ( -8.923 7.056 0.306) 11.380 14.203 ( 1.207 -5.888 -1.385) 6.168 14.308 ( 1.013 -3.051 1.064) 3.386 14.818 ( 2.851 0.669 0.356) 2.950 14.842 ( 1.866 1.870 -0.118) 2.644 15.025 ( -1.383 -5.446 1.705) 5.871 15.067 ( -2.259 -3.509 0.470) 4.200 16.147 ( -20.035 0.644 -0.521) 20.052 16.174 ( -14.097 0.349 -0.356) 14.106 16.229 ( -17.327 0.313 0.811) 17.349 16.304 ( -18.867 -0.902 0.284) 18.890 16.538 ( -3.165 2.553 0.052) 4.067 16.635 ( -5.322 0.297 -0.043) 5.330 16.717 ( -7.107 -2.553 0.614) 7.576 16.752 ( -6.660 -1.513 -1.172) 6.929 20.483 ( 22.129 0.774 0.186) 22.143 20.523 ( 22.194 0.081 -2.384) 22.322 20.822 ( 19.021 -0.715 0.825) 19.052 20.864 ( 17.217 -0.924 -0.442) 17.247 22.557 ( -5.821 2.795 -1.498) 6.629 22.610 ( -5.323 3.715 0.978) 6.565 22.792 ( -6.364 -2.282 -0.308) 6.768 22.827 ( -7.137 -1.749 0.192) 7.350 26.657 ( 33.692 3.979 1.803) 33.974 26.744 ( 33.315 6.682 -3.351) 34.143 27.155 ( 31.933 -7.199 17.219) 36.987 27.460 ( 28.860 -11.292 -18.734) 36.213 29.388 ( -5.529 4.729 -0.057) 7.275 29.474 ( -4.659 3.398 0.653) 5.803 29.671 ( -4.312 -2.436 -4.927) 6.986 29.718 ( -5.954 -2.043 2.928) 6.943 31.147 ( 10.796 4.494 1.698) 11.817 31.197 ( 10.403 4.174 -3.200) 11.657 31.459 ( 3.689 -1.071 4.921) 6.243 31.603 ( 0.043 -2.879 -5.315) 6.045 32.879 ( -10.612 1.032 -3.609) 11.256 32.924 ( -14.136 -0.481 -5.146) 15.051 32.972 ( -13.580 2.223 3.424) 14.180 33.193 ( -11.604 -3.408 0.669) 12.113 36.114 ( -1.607 0.820 9.308) 9.481 36.225 ( -2.070 -2.219 -0.903) 3.166 36.307 ( -4.824 0.046 3.971) 6.248 36.376 ( -4.781 -1.795 -5.841) 7.759 37.200 ( -2.911 4.201 2.831) 5.843 37.298 ( -3.817 6.336 -2.839) 7.923 37.647 ( -13.249 -0.103 10.570) 16.949 38.019 ( -17.544 -6.196 -7.873) 20.203 ======================= Grid point 125 (67/84) ======================= q-point: ( 0.36 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 3.937 0.431 -1.393) 4.198 1.815 ( 2.851 2.966 -1.067) 4.250 2.080 ( 7.497 1.502 0.697) 7.677 2.185 ( 8.928 5.433 0.618) 10.470 2.263 ( 10.778 -4.555 8.860) 14.677 2.320 ( 7.441 -4.789 -8.396) 12.198 2.441 ( 15.331 -2.111 -0.020) 15.476 2.602 ( 8.977 0.967 0.217) 9.031 2.739 ( 11.979 -2.350 -2.693) 12.501 2.989 ( 0.451 0.291 5.003) 5.032 3.047 ( -1.327 -2.896 -2.802) 4.242 3.096 ( 4.157 -4.845 2.130) 6.730 3.219 ( 1.516 0.841 3.188) 3.629 3.343 ( -1.517 -1.223 0.627) 2.047 3.447 ( 0.225 -4.979 1.374) 5.169 3.555 ( 0.827 -0.762 1.056) 1.543 3.571 ( -5.032 -5.895 -3.237) 8.399 3.693 ( -1.138 -2.670 -0.062) 2.903 3.781 ( -1.534 0.036 1.557) 2.186 3.871 ( -1.882 3.888 -1.784) 4.673 3.920 ( -10.252 3.586 -1.061) 10.912 3.987 ( -7.134 4.458 -0.719) 8.443 4.133 ( -5.925 2.954 0.104) 6.621 4.183 ( -6.506 4.765 -3.341) 8.729 4.600 ( 4.849 4.573 0.478) 6.682 4.814 ( -1.190 5.583 -0.496) 5.730 4.945 ( 1.792 -4.129 -0.257) 4.509 5.000 ( 1.076 -1.022 0.129) 1.490 5.063 ( 0.014 -0.123 3.968) 3.970 5.146 ( -0.475 0.906 -1.464) 1.786 5.318 ( 1.840 -0.922 -0.486) 2.115 5.371 ( 0.707 -0.599 1.442) 1.714 5.686 ( 7.081 -0.249 -2.141) 7.402 5.759 ( 5.877 0.347 6.763) 8.967 5.943 ( 7.560 -1.424 0.375) 7.702 6.031 ( 8.576 -2.460 -6.226) 10.879 7.494 ( 16.759 3.138 -3.331) 17.373 7.533 ( 14.749 0.870 1.899) 14.896 7.626 ( 9.411 -1.971 -0.731) 9.643 7.720 ( 16.112 -1.501 2.017) 16.307 8.232 ( 1.947 1.234 -0.032) 2.305 8.377 ( 5.589 -0.054 -0.951) 5.670 8.425 ( 2.281 -2.306 1.060) 3.413 8.524 ( -1.053 -0.513 0.268) 1.201 9.182 ( 15.532 3.396 -0.627) 15.912 9.358 ( 18.502 -1.112 -3.531) 18.868 9.417 ( 15.264 2.528 1.757) 15.572 9.594 ( 14.370 -1.543 3.521) 14.876 10.223 ( -11.917 0.660 -0.613) 11.951 10.250 ( -11.248 1.976 0.633) 11.438 10.323 ( -14.393 -1.233 -3.582) 14.884 10.408 ( -13.926 -1.814 2.479) 14.261 11.731 ( 20.899 1.291 2.160) 21.049 11.784 ( 17.385 0.365 -2.530) 17.572 11.964 ( 15.210 -0.832 -1.000) 15.266 11.984 ( 16.076 -0.683 -1.365) 16.148 12.550 ( -2.739 0.776 -0.604) 2.910 12.571 ( -2.711 1.373 1.522) 3.399 12.683 ( -1.070 -1.135 -2.292) 2.772 12.745 ( 0.416 -1.936 1.343) 2.393 13.641 ( -6.861 4.920 -0.629) 8.467 13.703 ( -8.128 7.603 0.539) 11.143 14.110 ( -9.402 -5.908 -1.828) 11.253 14.194 ( -11.452 -4.791 1.645) 12.522 14.683 ( -17.462 2.702 0.187) 17.671 14.693 ( -16.723 2.540 0.046) 16.915 14.958 ( -6.770 -3.889 1.575) 7.965 14.974 ( -7.721 -3.982 -0.227) 8.690 15.832 ( -6.398 0.896 -0.443) 6.476 15.898 ( -9.381 -0.806 -0.184) 9.417 15.969 ( -3.859 0.197 0.273) 3.874 15.992 ( -7.830 -0.187 0.171) 7.834 16.492 ( -2.626 1.539 0.733) 3.131 16.514 ( -6.600 0.507 -0.471) 6.636 16.608 ( -5.527 -1.878 0.592) 5.868 16.639 ( -6.912 -1.794 -0.618) 7.168 20.944 ( 22.133 0.932 0.145) 22.154 21.005 ( 24.175 -0.405 -2.613) 24.319 21.197 ( 16.315 -0.359 0.565) 16.329 21.227 ( 18.066 -0.356 1.233) 18.112 22.416 ( -7.476 2.120 -1.594) 7.933 22.477 ( -7.602 2.336 0.901) 8.003 22.622 ( -10.152 -2.280 -0.316) 10.409 22.648 ( -10.517 -1.269 0.394) 10.600 27.298 ( 28.659 3.312 1.097) 28.870 27.371 ( 27.921 6.065 -2.127) 28.652 27.679 ( 18.713 -5.511 11.828) 22.813 27.896 ( 15.374 -7.221 -10.946) 20.207 29.265 ( -6.322 3.032 0.835) 7.061 29.350 ( -7.602 1.609 0.212) 7.774 29.553 ( -7.847 -2.258 1.056) 8.233 29.572 ( -6.194 -1.904 -3.706) 7.465 31.407 ( 14.391 1.923 2.046) 14.663 31.444 ( 13.847 1.974 -2.781) 14.261 31.602 ( 9.442 -0.296 3.287) 10.002 31.676 ( 7.139 -1.270 -2.551) 7.686 32.601 ( -15.957 0.151 -3.858) 16.418 32.610 ( -16.404 -0.162 -4.263) 16.950 32.727 ( -10.645 2.661 4.495) 11.857 32.936 ( -13.487 -2.686 0.482) 13.760 36.090 ( -1.338 0.672 8.418) 8.551 36.173 ( -2.891 -1.930 7.315) 8.099 36.247 ( -1.614 1.089 -5.547) 5.879 36.295 ( -2.323 -0.619 -6.048) 6.508 37.160 ( -1.238 2.413 2.159) 3.466 37.233 ( -2.418 4.076 -1.715) 5.040 37.450 ( -7.018 -0.307 7.028) 9.937 37.711 ( -12.178 -4.260 -7.072) 14.713 ======================= Grid point 126 (68/84) ======================= q-point: ( 0.45 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( 2.138 2.998 0.226) 3.689 1.841 ( 0.275 3.938 -1.643) 4.275 2.245 ( 7.956 2.358 -0.361) 8.306 2.322 ( 1.519 2.636 1.006) 3.204 2.419 ( 2.421 1.249 3.645) 4.551 2.422 ( 4.618 0.443 -3.974) 6.108 2.692 ( 8.483 -3.435 2.005) 9.369 2.800 ( 6.469 -0.481 1.886) 6.756 2.908 ( -3.584 -2.351 2.964) 5.211 2.977 ( 8.145 -3.907 1.015) 9.090 3.048 ( 0.570 1.458 0.341) 1.602 3.101 ( -1.514 -3.860 3.178) 5.225 3.212 ( -0.565 -11.808 3.191) 12.244 3.294 ( -2.895 -3.055 -2.035) 4.675 3.373 ( -5.851 -10.611 3.303) 12.559 3.480 ( -3.772 -9.183 -6.991) 12.142 3.552 ( 1.432 5.886 5.545) 8.212 3.672 ( -1.330 -3.052 -1.614) 3.700 3.780 ( -3.243 2.948 -3.564) 5.649 3.806 ( -3.953 6.996 5.798) 9.909 3.832 ( 0.818 3.574 -5.384) 6.514 3.877 ( 0.733 2.136 -2.890) 3.668 3.989 ( -4.457 5.724 3.449) 8.032 4.128 ( -1.411 8.970 -9.565) 13.189 4.690 ( 3.152 3.968 2.489) 5.645 4.781 ( -1.786 6.636 -1.040) 6.950 4.948 ( -1.999 -2.605 5.143) 6.102 4.997 ( 0.901 -2.512 -1.333) 2.983 5.089 ( 0.843 -0.341 1.339) 1.619 5.149 ( 1.470 0.659 -4.836) 5.097 5.320 ( -2.141 0.579 4.446) 4.969 5.375 ( 1.405 -0.687 -4.251) 4.529 5.781 ( 0.602 -2.686 8.164) 8.615 5.861 ( 5.036 -2.977 -3.430) 6.782 6.030 ( 1.545 -1.094 2.819) 3.395 6.127 ( 1.484 -2.697 -6.348) 7.055 7.732 ( 3.246 0.704 0.750) 3.405 7.748 ( 5.259 1.078 -0.644) 5.407 7.801 ( 10.471 1.087 -2.334) 10.783 7.895 ( 1.527 -1.298 1.377) 2.432 8.303 ( 3.538 1.583 -0.147) 3.879 8.413 ( -1.743 0.781 -0.365) 1.944 8.491 ( 0.539 0.829 1.440) 1.747 8.520 ( 3.277 0.632 -0.350) 3.356 9.482 ( 13.852 2.371 -1.161) 14.101 9.621 ( 2.122 0.857 1.763) 2.889 9.673 ( 10.896 -0.950 -2.204) 11.157 9.761 ( 0.056 -1.577 3.017) 3.405 10.038 ( -3.034 0.456 -3.191) 4.427 10.079 ( -8.960 0.569 2.607) 9.349 10.152 ( -0.428 -2.284 -3.059) 3.841 10.190 ( -6.350 -1.901 2.106) 6.955 12.150 ( 17.453 0.267 0.730) 17.471 12.184 ( 20.251 -0.439 -0.379) 20.260 12.309 ( 13.960 0.486 -1.011) 14.005 12.314 ( 15.252 0.478 -0.805) 15.280 12.440 ( -6.589 1.623 -0.679) 6.820 12.505 ( -6.353 0.107 1.124) 6.453 12.606 ( -5.058 -0.252 -1.732) 5.352 12.698 ( -6.940 -1.904 1.180) 7.292 13.527 ( -3.689 4.381 -0.068) 5.728 13.556 ( -5.793 5.323 -0.005) 7.867 13.917 ( -6.340 -4.980 -1.503) 8.201 13.936 ( -10.549 -4.252 1.420) 11.462 14.292 ( -14.106 5.819 1.457) 15.328 14.324 ( -13.474 6.286 -1.319) 14.927 14.791 ( -6.435 -6.201 2.664) 9.325 14.822 ( -4.790 -6.040 -1.925) 7.945 15.819 ( 1.547 0.214 -0.766) 1.740 15.831 ( 0.389 -0.116 -1.084) 1.157 15.987 ( 4.155 0.092 1.346) 4.369 16.014 ( 3.978 -0.669 0.810) 4.115 16.393 ( -3.867 0.046 -0.814) 3.952 16.435 ( -4.442 -0.204 -0.299) 4.456 16.475 ( -3.789 -0.421 0.171) 3.817 16.510 ( -4.824 -0.221 0.844) 4.902 21.325 ( 14.166 1.251 -0.388) 14.226 21.411 ( 9.056 -0.561 0.128) 9.075 21.447 ( 11.384 0.447 -2.161) 11.596 21.500 ( 5.767 -0.485 1.998) 6.122 22.305 ( -1.370 1.050 -0.920) 1.956 22.348 ( -3.376 0.822 0.449) 3.504 22.413 ( -8.949 -1.319 -0.618) 9.066 22.427 ( -9.852 -0.858 0.677) 9.912 27.773 ( 16.211 1.114 1.024) 16.282 27.814 ( 13.701 3.201 0.098) 14.070 27.921 ( 6.199 -1.888 3.592) 7.409 28.052 ( -0.366 -2.656 -4.260) 5.034 29.158 ( -3.258 1.293 1.215) 3.710 29.202 ( -5.243 0.860 -1.014) 5.409 29.401 ( -5.647 -1.051 5.451) 7.918 29.496 ( -1.171 -2.841 -7.346) 7.963 31.695 ( 12.014 0.174 2.010) 12.182 31.722 ( 12.236 0.570 -0.615) 12.265 31.773 ( 4.792 0.653 1.515) 5.068 31.844 ( 7.079 -0.638 -2.307) 7.473 32.288 ( -12.900 0.113 -2.127) 13.075 32.290 ( -12.920 0.139 -2.027) 13.079 32.569 ( -3.348 1.592 2.849) 4.676 32.681 ( -10.280 -1.231 -0.034) 10.353 36.071 ( -0.923 0.646 7.594) 7.677 36.133 ( -1.520 -1.058 8.247) 8.453 36.218 ( -0.635 1.072 -6.505) 6.624 36.281 ( 0.737 -0.651 -7.312) 7.378 37.151 ( 0.162 1.627 1.904) 2.510 37.199 ( -0.951 3.019 -1.457) 3.484 37.367 ( -1.556 -0.818 5.810) 6.070 37.527 ( -5.455 -2.961 -6.202) 8.775 ======================= Grid point 127 (69/84) ======================= q-point: (-0.45 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -1.550 2.748 -1.004) 3.311 1.844 ( 0.245 3.416 -1.749) 3.846 2.205 ( -9.323 3.007 3.415) 10.374 2.329 ( -8.227 0.630 4.350) 9.327 2.351 ( -1.059 1.747 -2.316) 3.088 2.489 ( 0.321 2.127 -2.512) 3.307 2.724 ( -9.654 0.572 5.661) 11.206 2.772 ( -7.800 0.339 -0.683) 7.837 2.875 ( 1.981 -4.965 1.385) 5.522 2.987 ( -0.148 -5.321 1.893) 5.650 3.065 ( -10.033 -4.311 -0.607) 10.937 3.126 ( 3.365 -2.405 2.200) 4.685 3.189 ( 4.367 -7.138 3.429) 9.043 3.318 ( 4.497 -7.859 7.055) 11.479 3.344 ( 1.387 -6.931 -5.303) 8.837 3.488 ( 5.153 -7.045 -4.252) 9.710 3.575 ( -2.304 -0.470 1.058) 2.578 3.657 ( 0.559 -1.518 0.028) 1.618 3.720 ( 0.939 10.516 4.042) 11.305 3.799 ( 3.586 3.236 -0.145) 4.833 3.841 ( -0.876 2.361 -3.028) 3.938 3.932 ( 3.951 3.051 -4.718) 6.868 3.984 ( 2.903 5.872 1.414) 6.701 4.130 ( 3.322 8.772 -8.956) 12.969 4.694 ( -2.697 4.193 2.347) 5.510 4.773 ( 0.999 5.691 -0.658) 5.815 4.909 ( -1.583 -3.166 5.609) 6.633 5.018 ( 0.035 -1.957 -1.297) 2.348 5.090 ( 0.219 0.361 1.847) 1.895 5.184 ( 1.438 -2.681 -6.729) 7.385 5.283 ( -0.946 2.998 3.540) 4.735 5.413 ( 2.106 -0.905 -4.070) 4.671 5.731 ( -5.241 -1.616 7.460) 9.259 5.934 ( 1.592 -5.573 -3.003) 6.528 6.026 ( -2.231 -0.471 2.967) 3.742 6.093 ( -4.360 -1.749 -4.701) 6.646 7.737 ( -3.420 0.357 0.419) 3.464 7.748 ( -6.424 0.370 -0.488) 6.453 7.772 ( -9.247 1.966 0.189) 9.455 7.913 ( -1.610 -0.848 -0.451) 1.875 8.320 ( -3.808 1.787 -1.728) 4.548 8.402 ( 3.483 1.807 0.588) 3.968 8.500 ( -2.591 0.358 1.618) 3.076 8.514 ( -2.144 -0.108 -0.755) 2.276 9.476 ( -12.474 1.654 -0.500) 12.593 9.617 ( -10.837 -1.709 1.433) 11.064 9.677 ( -3.513 2.107 -1.770) 4.462 9.800 ( 1.870 -1.139 -0.873) 2.357 9.973 ( 4.521 0.495 3.183) 5.551 10.102 ( -1.805 -2.545 1.634) 3.522 10.122 ( 6.884 0.635 -1.499) 7.074 10.232 ( 7.572 -1.924 -2.098) 8.089 12.170 ( -15.423 0.083 -1.158) 15.467 12.180 ( -21.552 -0.084 0.178) 21.553 12.290 ( -12.599 0.659 0.566) 12.629 12.307 ( -17.786 0.036 -0.081) 17.786 12.432 ( 5.864 1.544 0.061) 6.064 12.530 ( 9.228 -0.790 -1.337) 9.358 12.576 ( 1.817 0.755 1.296) 2.356 12.712 ( 7.604 -1.941 -0.262) 7.852 13.518 ( 3.825 3.999 0.629) 5.569 13.563 ( 5.549 5.683 -0.539) 7.961 13.885 ( 6.294 -4.677 1.434) 7.971 13.966 ( 10.394 -4.536 -1.315) 11.417 14.298 ( 14.426 5.420 1.293) 15.465 14.322 ( 13.517 6.726 -1.535) 15.176 14.779 ( 5.362 -6.468 2.349) 8.724 14.837 ( 6.259 -5.792 -1.934) 8.744 15.824 ( -1.424 0.095 -1.157) 1.837 15.828 ( -0.101 0.047 -0.798) 0.805 16.000 ( -4.348 -0.127 0.080) 4.351 16.011 ( -3.557 -0.416 1.117) 3.751 16.381 ( 3.008 0.006 0.286) 3.021 16.429 ( 5.839 -1.388 0.180) 6.005 16.475 ( 2.127 0.694 0.332) 2.262 16.518 ( 5.385 -0.164 0.046) 5.388 21.326 ( -13.108 0.922 -0.446) 13.148 21.384 ( -15.188 -0.364 1.778) 15.296 21.443 ( -4.586 1.150 -0.662) 4.774 21.541 ( -6.736 -1.033 -2.019) 7.107 22.292 ( 0.676 0.946 0.369) 1.220 22.351 ( 3.681 0.342 0.075) 3.697 22.401 ( 9.390 -0.690 0.493) 9.428 22.442 ( 9.361 -0.931 -0.659) 9.430 27.736 ( -14.576 2.486 3.018) 15.091 27.838 ( -18.258 2.010 -1.095) 18.401 27.964 ( -3.574 -2.360 3.004) 5.232 28.031 ( 1.730 -2.485 -5.347) 6.144 29.171 ( 3.941 0.407 0.135) 3.964 29.204 ( 6.014 1.332 -1.403) 6.317 29.361 ( 1.279 -0.238 6.061) 6.199 29.525 ( 4.489 -3.302 -6.841) 8.824 31.671 ( -11.920 2.044 2.143) 12.282 31.764 ( -12.805 0.009 -2.892) 13.128 31.799 ( -6.094 -0.252 2.120) 6.458 31.823 ( -3.905 -0.959 -2.806) 4.904 32.248 ( 10.173 0.405 1.330) 10.268 32.273 ( 10.624 -0.152 -0.203) 10.627 32.609 ( 4.491 0.859 -1.065) 4.694 32.655 ( 10.632 -0.365 2.551) 10.940 36.065 ( -0.147 0.595 7.581) 7.606 36.120 ( -0.135 -0.941 7.850) 7.908 36.223 ( 1.461 1.204 -6.635) 6.900 36.302 ( 1.795 -0.920 -7.499) 7.766 37.163 ( 0.858 1.921 1.847) 2.800 37.191 ( 0.355 3.115 -1.967) 3.701 37.399 ( 4.496 -1.598 6.666) 8.198 37.490 ( 2.188 -2.561 -6.514) 7.333 ======================= Grid point 128 (70/84) ======================= q-point: (-0.36 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( -7.997 3.160 1.059) 8.664 1.822 ( -2.377 2.777 -2.101) 4.217 2.058 ( -3.823 -1.780 1.884) 4.619 2.144 ( -11.464 -5.363 8.329) 15.152 2.242 ( -9.082 0.561 -3.209) 9.649 2.358 ( -11.766 -0.877 -1.603) 11.907 2.513 ( -6.401 7.167 -1.503) 9.726 2.593 ( -9.807 1.135 -2.749) 10.249 2.697 ( -14.738 -8.015 -0.538) 16.785 2.988 ( -2.466 -1.163 1.171) 2.967 3.030 ( 2.334 -1.534 3.359) 4.368 3.123 ( -3.761 -4.619 -0.269) 5.962 3.252 ( -0.703 -4.651 3.800) 6.047 3.323 ( -3.489 0.065 -3.587) 5.004 3.390 ( -0.157 -7.644 7.286) 10.562 3.533 ( -0.758 -1.330 3.776) 4.074 3.562 ( 2.650 -2.232 1.247) 3.682 3.700 ( 5.347 -2.705 -0.307) 6.000 3.771 ( -0.490 8.732 -6.368) 10.818 3.852 ( 5.875 5.067 6.193) 9.927 3.956 ( 9.200 -0.066 -0.952) 9.249 4.013 ( 4.377 4.772 -3.461) 7.342 4.070 ( 5.630 2.442 -3.522) 7.076 4.273 ( 10.331 2.715 -5.811) 12.160 4.622 ( -4.000 5.117 -1.672) 6.707 4.787 ( 0.323 4.110 1.946) 4.559 4.879 ( -2.298 -3.533 5.077) 6.599 4.999 ( -1.101 -0.983 -0.183) 1.488 5.098 ( -0.559 -2.263 2.978) 3.782 5.195 ( 0.287 -3.066 -5.957) 6.706 5.285 ( 0.508 3.798 0.603) 3.879 5.428 ( -1.367 -1.207 -2.818) 3.356 5.604 ( -7.057 1.724 5.083) 8.866 5.902 ( -5.376 -3.031 2.704) 6.738 5.928 ( -7.474 -2.109 -5.898) 9.752 5.948 ( -9.808 -0.435 0.420) 9.827 7.442 ( -17.432 3.313 1.819) 17.837 7.567 ( -13.928 0.935 -1.532) 14.043 7.621 ( -10.025 -1.602 -0.132) 10.153 7.745 ( -14.883 -1.252 -0.478) 14.943 8.248 ( -2.485 1.523 -1.633) 3.341 8.354 ( -5.984 0.567 1.446) 6.182 8.442 ( -2.020 -2.431 -0.645) 3.226 8.519 ( 0.872 -1.502 0.760) 1.896 9.189 ( -15.244 2.442 -1.196) 15.485 9.314 ( -17.586 -0.721 0.756) 17.617 9.431 ( -16.085 3.381 0.483) 16.444 9.637 ( -16.346 -1.770 -0.712) 16.457 10.198 ( 13.901 0.387 1.289) 13.966 10.263 ( 15.603 -0.995 1.444) 15.701 10.281 ( 10.312 2.349 -0.957) 10.619 10.449 ( 13.141 -1.871 -1.680) 13.380 11.745 ( -18.945 1.504 1.438) 19.059 11.793 ( -20.320 0.666 -4.061) 20.733 11.944 ( -14.172 -1.293 1.080) 14.272 11.958 ( -16.525 -1.090 0.896) 16.585 12.535 ( 3.075 0.670 0.793) 3.246 12.601 ( 2.041 2.048 -1.215) 3.137 12.643 ( 1.323 -1.712 1.534) 2.652 12.766 ( -0.620 -1.821 -0.784) 2.077 13.635 ( 6.860 4.416 -0.002) 8.158 13.706 ( 8.030 7.885 0.168) 11.255 14.084 ( 9.823 -5.711 0.763) 11.388 14.215 ( 10.881 -4.706 -0.449) 11.863 14.686 ( 17.182 2.455 -0.089) 17.357 14.701 ( 17.276 2.962 -0.575) 17.537 14.944 ( 7.406 -3.891 1.351) 8.474 15.007 ( 8.272 -4.160 -1.753) 9.423 15.839 ( 6.560 0.939 -1.062) 6.712 15.906 ( 9.872 -0.839 -0.986) 9.957 15.964 ( 3.563 0.284 0.796) 3.662 15.990 ( 6.976 -0.281 0.314) 6.988 16.498 ( 5.418 0.382 0.418) 5.447 16.512 ( 4.314 1.216 -0.569) 4.518 16.593 ( 6.337 -1.848 1.648) 6.804 16.640 ( 5.796 -1.312 -0.413) 5.957 20.964 ( -21.152 0.386 -1.940) 21.244 20.970 ( -23.611 0.356 0.947) 23.633 21.205 ( -16.808 -0.099 -0.144) 16.809 21.250 ( -18.936 -0.824 -0.997) 18.980 22.393 ( 7.222 2.541 0.629) 7.681 22.493 ( 8.108 1.600 -0.746) 8.298 22.614 ( 10.324 -1.957 0.449) 10.517 22.653 ( 10.201 -1.304 -0.168) 10.286 27.302 ( -27.466 4.436 1.252) 27.850 27.344 ( -29.069 4.542 0.049) 29.421 27.701 ( -21.208 -4.043 8.651) 23.259 27.935 ( -11.240 -8.953 -13.449) 19.682 29.281 ( 6.050 1.578 -0.642) 6.285 29.366 ( 7.667 3.144 -1.452) 8.413 29.448 ( 6.775 -0.948 5.171) 8.575 29.653 ( 7.656 -3.276 -5.352) 9.899 31.390 ( -14.115 3.760 1.687) 14.704 31.470 ( -14.225 1.045 -3.367) 14.655 31.624 ( -8.589 -0.498 2.313) 8.909 31.675 ( -7.920 -1.427 -3.358) 8.720 32.523 ( 14.402 0.087 4.212) 15.005 32.533 ( 13.212 -0.105 2.392) 13.427 32.803 ( 12.649 1.558 -2.947) 13.081 32.918 ( 13.880 -1.363 2.033) 14.094 36.070 ( 0.126 0.612 8.350) 8.373 36.143 ( 2.035 -1.556 7.604) 8.024 36.259 ( 2.183 1.301 -6.753) 7.216 36.351 ( 3.693 -1.331 -6.648) 7.721 37.190 ( 1.836 3.358 1.771) 4.217 37.213 ( 1.949 4.172 -2.455) 5.218 37.555 ( 10.385 -2.680 8.678) 13.796 37.605 ( 9.567 -2.973 -8.400) 13.074 ======================= Grid point 129 (71/84) ======================= q-point: (-0.27 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -7.510 3.663 7.608) 11.301 1.746 ( -14.563 0.310 6.949) 16.139 1.798 ( -8.618 -0.446 -1.026) 8.690 2.020 ( -2.656 -9.299 -0.665) 9.694 2.053 ( -8.757 -0.556 -4.570) 9.893 2.190 ( -5.900 -1.866 -3.477) 7.098 2.331 ( -14.417 -10.537 -7.444) 19.347 2.434 ( -3.294 7.748 -0.248) 8.423 2.471 ( -7.537 0.920 -1.489) 7.738 2.876 ( -8.717 1.143 1.601) 8.936 2.908 ( -12.353 2.035 -0.460) 12.527 3.012 ( -10.974 0.824 5.664) 12.377 3.111 ( -8.217 0.586 1.224) 8.329 3.293 ( -4.193 -4.064 2.258) 6.260 3.336 ( -2.636 -4.539 4.135) 6.682 3.532 ( -0.360 -2.172 3.932) 4.506 3.593 ( -0.398 3.339 2.132) 3.981 3.732 ( -3.232 7.652 -6.231) 10.384 3.829 ( 4.872 0.019 2.309) 5.391 3.958 ( 3.958 -1.014 4.358) 5.974 4.102 ( 4.464 -0.286 -2.555) 5.152 4.144 ( 7.899 0.930 -4.736) 9.256 4.235 ( 11.436 -1.029 -3.474) 11.996 4.430 ( 2.141 0.785 -3.063) 3.819 4.567 ( -0.432 6.703 -2.351) 7.116 4.793 ( -1.498 -0.300 0.315) 1.560 4.824 ( -1.540 0.840 4.507) 4.836 4.962 ( -3.537 -3.721 3.815) 6.397 5.064 ( -1.854 -6.068 -0.279) 6.351 5.153 ( -6.059 -3.453 -1.994) 7.254 5.287 ( -0.584 4.053 1.039) 4.225 5.347 ( -4.681 -0.234 -3.605) 5.913 5.463 ( -6.976 4.447 4.971) 9.651 5.690 ( -12.708 0.409 -0.353) 12.720 5.732 ( -10.739 -0.895 0.012) 10.776 5.752 ( -10.245 -1.689 -3.147) 10.850 7.109 ( -14.415 2.981 1.549) 14.802 7.290 ( -11.906 -0.178 -1.174) 11.965 7.339 ( -16.057 -2.573 -0.028) 16.262 7.381 ( -17.222 -1.263 -0.620) 17.279 8.247 ( 0.721 0.308 -0.826) 1.139 8.276 ( -0.431 1.194 0.927) 1.572 8.372 ( -4.620 -2.544 -0.605) 5.308 8.512 ( -2.146 -3.224 1.264) 4.074 8.884 ( -14.307 2.056 -1.236) 14.506 8.961 ( -16.244 0.087 -0.053) 16.245 9.100 ( -15.927 4.232 0.444) 16.486 9.270 ( -18.331 -0.425 0.683) 18.349 10.497 ( 14.954 1.437 -0.085) 15.023 10.549 ( 16.478 2.597 -0.199) 16.683 10.619 ( 17.695 -1.614 1.190) 17.808 10.733 ( 14.475 -1.814 -1.191) 14.637 11.444 ( -12.513 1.827 -2.418) 12.875 11.457 ( -10.140 2.392 0.388) 10.425 11.675 ( -11.076 -1.894 -0.063) 11.237 11.719 ( -8.591 -2.281 0.886) 8.933 12.549 ( -1.329 -0.130 0.602) 1.465 12.612 ( -1.086 2.846 0.617) 3.107 12.662 ( 0.651 -2.601 -0.059) 2.682 12.744 ( -0.886 -0.887 -0.427) 1.324 13.785 ( 7.773 2.986 -0.237) 8.330 13.874 ( 8.048 7.179 0.661) 10.805 14.190 ( -0.314 -5.881 0.041) 5.890 14.316 ( -1.471 -2.174 0.104) 2.627 14.823 ( -2.771 2.228 -0.196) 3.561 14.849 ( -2.029 0.532 -0.665) 2.200 14.999 ( -1.276 -2.492 1.974) 3.426 15.142 ( 6.594 -7.077 -4.166) 10.532 16.145 ( 19.086 0.465 -0.334) 19.095 16.181 ( 14.905 0.112 -0.987) 14.938 16.239 ( 18.228 0.279 -0.228) 18.232 16.301 ( 19.546 -0.597 0.565) 19.563 16.548 ( 2.854 2.760 -1.025) 4.100 16.628 ( 5.312 0.193 0.755) 5.368 16.681 ( 3.168 -1.040 2.565) 4.207 16.772 ( 10.028 -2.867 -1.671) 10.563 20.501 ( -21.293 0.597 -0.021) 21.302 20.516 ( -21.961 0.165 -3.226) 22.197 20.833 ( -18.981 -0.963 -0.111) 19.006 20.856 ( -18.673 -0.490 0.259) 18.682 22.532 ( 5.953 3.634 0.842) 7.025 22.632 ( 5.363 2.668 -1.090) 6.088 22.788 ( 6.609 -2.188 0.090) 6.963 22.827 ( 6.772 -1.679 0.180) 6.979 26.672 ( -33.640 4.350 1.881) 33.972 26.705 ( -33.540 5.804 -0.855) 34.049 27.155 ( -32.950 -5.060 12.377) 35.560 27.554 ( -25.857 -14.551 -22.863) 37.457 29.393 ( 4.852 2.966 -0.493) 5.708 29.486 ( 4.778 5.976 -0.432) 7.663 29.596 ( 6.283 -2.138 2.376) 7.049 29.784 ( 4.698 -2.883 -3.703) 6.640 31.141 ( -10.205 6.682 1.061) 12.244 31.213 ( -10.776 2.874 -3.581) 11.713 31.504 ( -3.083 -1.624 4.168) 5.433 31.576 ( -0.826 -2.143 -6.103) 6.521 32.782 ( 11.137 0.175 4.604) 12.053 32.799 ( 12.370 -0.269 6.608) 14.027 33.063 ( 12.558 1.513 -4.039) 13.278 33.184 ( 11.811 -1.532 1.392) 11.991 36.083 ( 0.736 0.840 9.103) 9.172 36.207 ( 3.548 -3.181 6.429) 8.002 36.302 ( 2.614 1.746 -4.281) 5.311 36.441 ( 5.150 -2.706 -5.705) 8.148 37.240 ( 2.861 5.502 2.776) 6.794 37.269 ( 3.873 6.518 -3.943) 8.546 37.827 ( 16.071 -4.266 10.516) 19.674 37.864 ( 16.492 -3.909 -9.970) 19.664 ======================= Grid point 130 (72/84) ======================= q-point: (-0.18 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -21.688 5.345 11.524) 25.135 1.535 ( -3.055 9.340 14.246) 17.307 1.745 ( -8.424 -0.904 -14.157) 16.498 1.884 ( -4.717 1.314 -8.299) 9.636 1.918 ( -6.483 -6.252 2.495) 9.346 2.054 ( -7.544 -16.248 -11.129) 21.090 2.116 ( -3.998 -3.929 4.512) 7.195 2.268 ( -15.424 -2.182 1.897) 15.692 2.322 ( -9.211 1.919 -3.983) 10.217 2.593 ( -15.683 -0.605 -3.545) 16.090 2.729 ( -10.899 0.702 4.572) 11.840 2.770 ( -5.143 10.002 8.166) 13.898 2.934 ( -8.500 -0.805 2.209) 8.819 3.101 ( -13.979 3.977 5.288) 15.466 3.267 ( -7.117 -4.530 4.271) 9.456 3.442 ( -9.667 1.872 2.823) 10.243 3.545 ( -7.050 7.457 -2.301) 10.517 3.612 ( -8.471 5.958 -12.852) 16.505 3.824 ( -4.440 -2.047 1.535) 5.124 4.042 ( 3.418 -6.054 7.248) 10.043 4.126 ( -4.126 -7.195 -2.301) 8.607 4.231 ( 2.430 5.696 -4.814) 7.844 4.439 ( 2.446 -0.081 -3.311) 4.117 4.477 ( 8.420 -4.122 -4.819) 10.541 4.548 ( -0.086 5.179 5.566) 7.603 4.689 ( -5.213 0.162 -3.952) 6.544 4.781 ( -3.425 4.698 -0.690) 5.855 4.882 ( -1.512 -5.716 10.246) 11.830 5.023 ( -4.757 -0.467 2.462) 5.377 5.112 ( 5.130 -7.146 -0.833) 8.836 5.228 ( -6.383 1.365 -1.703) 6.746 5.282 ( -0.635 1.307 -4.036) 4.289 5.417 ( 4.549 -0.635 6.335) 7.825 5.491 ( -6.761 -2.707 -1.118) 7.368 5.551 ( -5.351 1.393 -0.715) 5.576 5.559 ( -6.605 0.371 -0.308) 6.623 6.886 ( -7.984 1.973 0.295) 8.229 7.069 ( -8.374 -0.013 -1.976) 8.604 7.111 ( -7.560 -0.691 0.926) 7.648 7.139 ( -5.718 -2.360 0.308) 6.194 8.248 ( -3.839 -1.936 -1.450) 4.538 8.264 ( -0.274 -1.016 -0.513) 1.171 8.307 ( -0.919 1.620 1.492) 2.387 8.425 ( -5.752 -1.598 1.548) 6.167 8.628 ( -10.664 1.521 -1.364) 10.858 8.701 ( -8.817 -0.336 0.471) 8.836 8.810 ( -12.320 3.591 0.215) 12.835 8.931 ( -14.938 -0.453 0.416) 14.951 10.788 ( 12.527 2.046 0.454) 12.701 10.858 ( 11.415 1.785 -0.446) 11.562 10.937 ( 12.356 -1.983 1.449) 12.597 10.994 ( 10.231 -1.254 -1.473) 10.412 11.287 ( -1.210 1.503 -3.100) 3.651 11.372 ( 2.213 1.935 1.568) 3.332 11.517 ( -4.323 -2.239 -0.658) 4.913 11.603 ( -2.376 -2.429 0.327) 3.413 12.511 ( -2.006 1.024 0.462) 2.299 12.578 ( -1.805 4.065 0.706) 4.504 12.648 ( -2.359 -2.255 -0.024) 3.264 12.716 ( -2.585 0.166 -0.121) 2.593 13.934 ( 6.593 -0.735 -0.442) 6.648 13.984 ( -0.315 0.662 1.187) 1.395 14.119 ( -2.205 -0.940 -0.529) 2.455 14.193 ( -8.849 0.774 0.003) 8.883 14.678 ( -10.043 3.925 0.282) 10.786 14.719 ( -8.808 1.403 -0.753) 8.950 14.914 ( -8.469 -2.898 3.378) 9.567 15.231 ( -1.149 -12.325 -10.687) 16.353 16.302 ( -1.485 -0.493 -1.984) 2.527 16.343 ( -0.657 -0.560 -0.459) 0.978 16.395 ( -3.645 -0.456 -0.538) 3.713 16.423 ( -6.913 -0.550 1.586) 7.113 16.816 ( 21.044 3.817 -1.493) 21.440 16.862 ( 17.299 1.101 0.191) 17.335 16.931 ( 20.855 1.450 1.250) 20.942 17.097 ( 19.864 -2.267 -0.987) 20.018 20.124 ( -15.142 0.756 -2.674) 15.395 20.170 ( -10.529 -0.345 -0.666) 10.556 20.487 ( -14.281 -0.776 0.130) 14.303 20.525 ( -13.799 -1.175 1.274) 13.908 22.626 ( 3.345 4.911 0.460) 5.959 22.703 ( 1.696 3.772 -0.813) 4.215 22.883 ( 3.175 -1.745 -0.487) 3.656 22.927 ( 3.147 -2.001 0.599) 3.777 26.000 ( -31.593 3.342 0.865) 31.782 26.032 ( -31.553 3.993 0.333) 31.806 26.414 ( -39.843 -4.210 11.536) 41.692 26.846 ( -42.778 -16.647 -28.810) 54.195 29.475 ( 3.307 4.012 -0.047) 5.199 29.562 ( 2.721 7.121 -1.137) 7.708 29.688 ( 2.956 -1.846 1.191) 3.683 29.828 ( 0.187 -1.969 -2.097) 2.883 30.987 ( -5.168 10.939 -0.368) 12.104 31.039 ( -6.167 5.180 -3.744) 8.881 31.499 ( 1.694 -2.891 7.049) 7.804 31.631 ( 5.889 -3.432 -10.290) 12.343 32.990 ( 9.310 0.262 5.699) 10.919 33.022 ( 9.074 -0.504 8.140) 12.200 33.287 ( 9.617 1.316 -3.883) 10.454 33.384 ( 7.763 -1.126 0.606) 7.867 36.110 ( 1.371 1.074 9.841) 9.994 36.275 ( 2.622 -3.213 -0.110) 4.149 36.372 ( 4.546 -0.417 3.105) 5.521 36.537 ( 4.299 -4.586 -4.425) 7.687 37.306 ( 3.367 8.366 3.774) 9.777 37.361 ( 5.138 9.425 -5.246) 11.948 38.214 ( 21.358 -7.077 8.411) 24.021 38.249 ( 21.508 -5.747 -6.418) 23.169 ======================= Grid point 131 (73/84) ======================= q-point: (-0.09 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -4.630 14.924 7.341) 17.264 1.385 ( -13.236 4.795 -7.266) 15.842 1.479 ( -12.542 9.772 14.415) 21.461 1.709 ( -12.679 3.655 -3.401) 13.627 1.854 ( -14.958 -3.471 6.635) 16.727 1.917 ( 0.041 -9.349 -4.157) 10.231 1.992 ( -4.813 -8.654 -5.495) 11.325 2.080 ( -2.591 -3.179 -3.286) 5.256 2.131 ( -3.400 -5.932 0.699) 6.873 2.282 ( -12.630 -2.634 3.431) 13.350 2.602 ( -1.482 6.206 -0.168) 6.383 2.648 ( -8.660 -4.942 1.078) 10.029 2.788 ( -9.781 2.105 6.955) 12.185 2.888 ( -2.562 9.585 4.302) 10.814 3.005 ( -16.613 -3.544 5.558) 17.873 3.166 ( -14.707 5.039 3.659) 15.971 3.205 ( -21.521 1.275 -7.890) 22.957 3.459 ( -4.800 7.899 -20.891) 22.844 3.755 ( -0.700 4.385 5.963) 7.435 3.997 ( -4.092 -10.140 1.961) 11.109 4.151 ( 4.102 -1.179 2.866) 5.141 4.274 ( 1.886 1.386 -0.844) 2.488 4.450 ( 1.383 -2.291 0.558) 2.734 4.569 ( 1.749 0.262 7.786) 7.985 4.588 ( 3.167 2.259 -6.781) 7.818 4.705 ( 3.404 -1.163 -4.421) 5.699 4.788 ( 2.545 4.768 -1.351) 5.571 4.889 ( -3.647 2.085 2.546) 4.912 4.963 ( 2.215 -0.280 8.650) 8.933 5.133 ( -1.349 -0.530 -1.735) 2.261 5.170 ( 0.973 -0.401 -3.243) 3.409 5.259 ( -3.496 2.039 -3.183) 5.149 5.369 ( -3.756 -2.593 -2.799) 5.354 5.396 ( -5.197 -3.207 0.626) 6.139 5.597 ( 9.406 -6.559 5.997) 12.940 5.747 ( 18.991 -13.806 3.470) 23.735 6.771 ( -3.141 3.612 0.007) 4.786 6.964 ( -3.245 1.506 -2.670) 4.464 7.028 ( -1.618 -0.743 3.237) 3.694 7.081 ( -0.910 -1.961 -1.852) 2.846 8.130 ( -5.320 -1.039 -0.794) 5.478 8.219 ( -6.751 0.177 1.241) 6.867 8.290 ( 2.122 -1.994 -0.260) 2.923 8.362 ( -0.564 0.129 0.216) 0.618 8.458 ( -6.360 0.999 -0.555) 6.462 8.570 ( -6.591 -0.349 1.375) 6.742 8.631 ( -4.820 1.457 -0.368) 5.049 8.683 ( -8.649 -0.643 -0.891) 8.718 10.933 ( 1.124 0.899 1.220) 1.887 10.973 ( 3.568 2.656 -1.279) 4.628 11.066 ( 1.401 -3.179 1.227) 3.684 11.132 ( 3.164 -0.958 -1.140) 3.497 11.405 ( 9.388 0.294 -1.128) 9.460 11.503 ( 2.223 -1.410 0.012) 2.632 11.530 ( 10.727 1.574 0.451) 10.852 11.642 ( 5.113 -1.017 -0.311) 5.222 12.479 ( -0.938 1.316 0.293) 1.642 12.546 ( -2.065 3.673 1.181) 4.376 12.574 ( -3.726 -0.200 -0.730) 3.802 12.626 ( -6.086 1.113 -0.301) 6.194 13.883 ( -4.031 0.622 -0.447) 4.103 13.982 ( -4.616 3.493 0.914) 5.860 14.093 ( 3.404 -3.502 -0.559) 4.915 14.183 ( 5.685 -0.598 -0.115) 5.718 14.442 ( -12.226 4.995 0.981) 13.243 14.525 ( -10.143 1.280 -1.191) 10.293 14.644 ( -16.346 -1.059 0.391) 16.385 14.894 ( -32.696 -8.784 -14.973) 37.018 16.220 ( -4.993 0.226 0.326) 5.009 16.244 ( -5.722 1.132 0.044) 5.833 16.290 ( -3.433 -1.269 0.427) 3.685 16.320 ( -1.858 -0.540 -1.014) 2.185 17.162 ( 11.318 3.040 0.116) 11.720 17.176 ( 12.396 5.166 -1.658) 13.531 17.327 ( 15.895 0.375 1.039) 15.933 17.443 ( 12.252 -1.206 -0.977) 12.350 19.960 ( -0.351 -0.554 0.523) 0.838 20.065 ( -1.380 -2.468 0.085) 2.829 20.276 ( -6.620 -0.583 0.771) 6.690 20.309 ( -7.627 -1.597 0.950) 7.850 22.677 ( 2.074 6.718 -1.058) 7.110 22.707 ( -0.865 4.868 0.204) 4.948 22.933 ( 2.030 -1.486 -0.988) 2.703 22.959 ( 0.281 -1.941 0.749) 2.099 25.467 ( -19.351 1.103 0.283) 19.384 25.496 ( -20.046 0.937 0.845) 20.086 25.655 ( -32.103 -1.519 4.310) 32.426 25.873 ( -46.798 -9.168 -17.765) 50.889 29.528 ( 2.006 4.684 0.463) 5.117 29.594 ( 0.605 7.159 -2.059) 7.474 29.730 ( 1.493 -1.368 0.852) 2.197 29.809 ( -1.552 -1.248 -1.073) 2.262 30.918 ( -2.057 13.663 -1.427) 13.890 30.957 ( -1.943 8.547 -4.547) 9.874 31.550 ( 2.083 -3.576 9.413) 10.282 31.756 ( 6.022 -4.478 -13.916) 15.811 33.166 ( 6.016 -0.363 6.862) 9.132 33.171 ( 6.773 -0.275 5.656) 8.829 33.437 ( 5.288 1.012 -2.940) 6.134 33.493 ( 2.941 -0.381 -0.471) 3.002 36.144 ( 1.242 1.215 10.347) 10.492 36.310 ( 1.106 -1.542 -3.800) 4.247 36.472 ( 4.489 -4.983 5.421) 8.624 36.599 ( 1.977 -5.899 -3.371) 7.076 37.372 ( 2.619 10.943 4.204) 12.012 37.454 ( 3.974 11.861 -5.850) 13.809 38.646 ( 18.816 -10.396 -1.803) 21.572 38.679 ( 18.866 -11.210 3.850) 22.280 ======================= Grid point 132 (74/84) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -18.422 13.721 14.335) 27.076 1.358 ( 7.538 13.910 12.567) 20.205 1.423 ( -8.720 -4.620 5.975) 11.536 1.538 ( 10.727 8.927 -12.736) 18.894 1.679 ( 4.681 -16.931 -0.727) 17.582 1.735 ( 4.880 -9.541 -9.040) 14.021 1.833 ( 0.882 3.481 -1.938) 4.081 1.921 ( -2.166 -4.169 -8.628) 9.824 2.129 ( 2.954 1.686 -0.963) 3.535 2.164 ( 0.548 -1.758 -3.737) 4.166 2.556 ( 0.338 3.105 3.891) 4.989 2.610 ( -1.339 -2.555 -0.628) 2.952 2.726 ( 2.239 0.948 7.599) 7.979 2.745 ( -1.644 -0.885 7.205) 7.443 2.872 ( -3.760 0.683 -6.475) 7.519 2.880 ( 1.337 -0.186 -5.789) 5.944 3.285 ( -0.712 15.236 14.299) 20.906 3.556 ( -0.679 -4.087 -4.401) 6.044 3.700 ( -0.744 -1.583 0.582) 1.843 3.834 ( 2.376 -5.933 -3.776) 7.423 4.287 ( 1.919 6.893 2.107) 7.459 4.344 ( -3.148 8.195 -2.534) 9.137 4.429 ( -0.502 -4.418 6.989) 8.284 4.503 ( -2.786 -4.518 3.262) 6.230 4.702 ( -0.983 4.690 1.004) 4.896 4.761 ( 0.907 1.525 -1.918) 2.613 4.870 ( 1.190 1.072 0.362) 1.642 4.878 ( 1.506 -0.979 0.746) 1.945 5.056 ( 0.948 2.577 5.343) 6.007 5.133 ( 3.067 -2.778 0.388) 4.156 5.154 ( -2.708 -2.218 -2.180) 4.124 5.167 ( -1.215 -1.202 -4.849) 5.141 5.306 ( 1.838 0.104 0.391) 1.882 5.339 ( -0.879 -0.868 -2.498) 2.787 5.506 ( -0.569 -7.701 5.311) 9.372 5.588 ( -1.101 -12.826 -2.553) 13.124 6.863 ( -0.228 4.123 4.324) 5.979 6.925 ( -1.055 -1.938 1.879) 2.898 7.021 ( 0.492 3.483 -5.034) 6.141 7.078 ( 1.880 -1.957 -6.893) 7.408 8.120 ( 0.563 3.037 0.229) 3.097 8.124 ( -0.385 3.402 -0.206) 3.430 8.222 ( 0.491 -7.141 0.498) 7.175 8.230 ( 0.511 -7.170 -0.284) 7.194 8.502 ( 1.820 5.184 0.302) 5.502 8.512 ( -2.272 5.367 -0.731) 5.874 8.581 ( 1.047 -2.297 0.610) 2.597 8.594 ( -0.940 -2.426 -0.691) 2.692 10.966 ( 0.821 1.076 1.584) 2.083 10.989 ( -0.474 -1.165 -0.385) 1.315 11.082 ( 1.013 0.318 -0.484) 1.167 11.102 ( -0.010 -1.581 -2.220) 2.725 11.522 ( -0.410 0.114 -0.237) 0.487 11.529 ( 0.272 -0.615 -0.973) 1.183 11.716 ( -1.472 1.091 0.586) 1.924 11.719 ( 0.871 0.792 0.221) 1.198 12.505 ( 1.652 0.693 1.653) 2.437 12.514 ( 1.552 -0.137 1.715) 2.317 12.540 ( -1.604 0.942 -1.723) 2.536 12.549 ( -1.672 0.037 -1.720) 2.399 13.998 ( -3.475 3.760 0.992) 5.215 14.021 ( 5.167 1.425 -1.318) 5.520 14.208 ( -2.646 2.370 0.523) 3.590 14.227 ( -1.456 1.006 -1.248) 2.166 14.314 ( 0.913 -0.807 0.136) 1.226 14.322 ( -2.358 -1.249 -0.491) 2.713 14.396 ( -1.349 0.549 -0.398) 1.510 14.397 ( 2.150 0.392 -0.576) 2.260 16.183 ( 0.327 0.939 0.520) 1.122 16.191 ( -0.465 0.159 -0.372) 0.616 16.260 ( 0.299 0.065 0.944) 0.993 16.277 ( -0.373 -1.458 -0.738) 1.676 17.353 ( 0.416 3.400 0.675) 3.491 17.375 ( -0.418 1.607 -1.590) 2.299 17.522 ( 1.225 0.494 0.263) 1.347 17.536 ( -1.215 -0.797 -1.070) 1.804 19.967 ( 1.449 -2.077 0.146) 2.537 19.973 ( -0.873 -2.512 -0.514) 2.708 20.205 ( -0.044 -0.069 0.688) 0.693 20.210 ( 0.174 -0.612 0.095) 0.643 22.794 ( -0.995 5.839 1.827) 6.198 22.847 ( 1.024 5.627 -3.713) 6.819 22.888 ( -0.838 -3.695 1.569) 4.101 22.931 ( 1.094 -3.165 -2.759) 4.339 25.273 ( 1.363 -0.037 -0.125) 1.369 25.274 ( 1.048 -0.152 -0.233) 1.084 25.296 ( -1.814 0.069 0.040) 1.816 25.297 ( -1.443 0.026 -0.008) 1.443 29.655 ( 1.119 4.811 1.474) 5.155 29.691 ( -1.267 4.102 -2.169) 4.810 29.724 ( 1.392 -2.680 1.119) 3.220 29.747 ( -1.365 -2.225 -1.159) 2.856 31.097 ( -0.373 10.015 1.528) 10.138 31.175 ( -0.089 5.894 -5.667) 8.177 31.529 ( -0.500 2.780 -0.220) 2.833 31.682 ( 0.387 -9.828 -14.060) 17.159 33.236 ( 1.189 1.352 4.956) 5.273 33.268 ( 2.935 -2.024 1.994) 4.085 33.505 ( -0.140 0.336 -1.491) 1.535 33.507 ( -1.128 0.117 -1.524) 1.900 36.204 ( 0.232 2.947 8.914) 9.391 36.271 ( 0.106 -3.907 3.648) 5.346 36.460 ( 0.242 -0.253 -0.080) 0.359 36.505 ( -0.352 -4.561 -3.368) 5.681 37.626 ( -0.877 10.650 4.229) 11.492 37.691 ( -0.187 5.169 -1.962) 5.532 38.599 ( -1.950 -7.095 2.755) 7.857 38.654 ( 1.468 -11.145 -2.867) 11.601 ======================= Grid point 133 (75/84) ======================= q-point: ( 0.09 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 15.397 18.025 5.426) 24.319 1.431 ( 8.426 -4.781 -0.433) 9.697 1.451 ( 3.374 7.906 12.737) 15.367 1.658 ( -0.372 -10.769 3.036) 11.195 1.848 ( 7.512 0.092 -3.016) 8.095 1.889 ( 3.116 -1.789 -7.279) 8.117 2.000 ( 12.759 0.880 -11.300) 17.066 2.035 ( 10.096 -2.091 -2.851) 10.697 2.171 ( 7.679 -1.063 -9.571) 12.317 2.200 ( 6.891 -3.422 -2.745) 8.169 2.588 ( 5.083 1.587 3.330) 6.281 2.624 ( 5.643 -2.973 -0.995) 6.455 2.927 ( 15.956 2.774 6.436) 17.428 2.949 ( 14.760 -0.642 1.862) 14.891 3.057 ( 19.211 4.608 3.511) 20.066 3.115 ( 16.799 -1.939 -5.623) 17.821 3.294 ( 2.242 11.818 13.519) 18.096 3.539 ( -0.760 -6.059 0.905) 6.173 3.720 ( 4.913 1.881 -2.682) 5.905 3.880 ( 2.560 -7.676 -2.742) 8.544 4.210 ( -9.152 10.195 1.483) 13.780 4.300 ( -0.281 7.280 1.662) 7.472 4.378 ( -4.612 -6.492 6.010) 9.977 4.436 ( -3.250 -6.362 -0.111) 7.145 4.672 ( -1.779 3.389 -0.379) 3.847 4.748 ( -0.323 -1.275 -2.728) 3.028 4.885 ( -1.061 3.547 0.749) 3.777 4.901 ( 0.495 -0.703 2.433) 2.581 5.028 ( -5.566 0.032 0.264) 5.572 5.092 ( -6.153 -5.207 -4.825) 9.394 5.122 ( 2.064 2.571 2.050) 3.882 5.205 ( 1.774 -5.741 3.700) 7.057 5.323 ( 2.737 2.726 -3.556) 5.251 5.375 ( 4.995 -1.361 -2.032) 5.561 5.482 ( -0.336 -2.360 4.096) 4.739 5.554 ( -0.896 -7.049 0.040) 7.106 6.869 ( 1.813 3.865 1.610) 4.563 6.926 ( 1.102 -1.994 2.131) 3.120 7.020 ( 0.592 3.550 -1.898) 4.069 7.094 ( 0.486 -3.389 -5.287) 6.299 8.128 ( 3.329 2.634 0.065) 4.246 8.210 ( 1.083 -5.307 0.067) 5.417 8.275 ( 8.268 2.481 -1.445) 8.752 8.332 ( 4.540 -3.143 -1.057) 5.622 8.529 ( 3.944 5.060 -0.390) 6.427 8.598 ( 2.379 -1.457 -1.283) 3.070 8.625 ( 9.624 0.375 0.591) 9.650 8.650 ( 7.447 -1.370 0.549) 7.592 10.978 ( -0.263 1.661 0.584) 1.780 11.004 ( 0.006 -0.257 -0.028) 0.259 11.051 ( -3.245 0.954 -1.480) 3.692 11.096 ( -3.268 -2.805 -1.899) 4.707 11.415 ( -8.229 1.682 -0.345) 8.406 11.457 ( -6.007 -2.871 -0.661) 6.690 11.578 ( -8.368 1.993 -0.082) 8.603 11.610 ( -7.527 -1.377 0.590) 7.675 12.523 ( 1.787 2.213 -0.376) 2.869 12.555 ( 2.565 -0.979 0.382) 2.772 12.612 ( 4.324 1.574 -0.498) 4.628 12.628 ( 5.484 -0.183 0.303) 5.495 13.914 ( -0.495 3.233 -0.478) 3.305 13.989 ( -3.881 -4.599 -1.201) 6.137 14.078 ( 0.807 3.650 1.458) 4.012 14.141 ( -2.629 -2.982 1.058) 4.114 14.535 ( 12.655 2.852 1.979) 13.122 14.561 ( 13.982 2.748 1.871) 14.372 14.620 ( 16.548 -1.220 -3.117) 16.883 14.664 ( 16.914 -3.376 -0.045) 17.248 16.234 ( 4.533 0.757 0.218) 4.601 16.245 ( 5.327 -0.359 0.481) 5.361 16.283 ( 2.296 -0.085 0.111) 2.300 16.293 ( 2.746 -0.855 -0.041) 2.877 17.225 ( -13.101 2.477 0.363) 13.338 17.230 ( -13.270 1.727 -1.141) 13.430 17.368 ( -14.539 1.404 -0.913) 14.635 17.400 ( -12.902 -1.625 0.460) 13.012 19.974 ( 2.743 0.507 -1.167) 3.024 20.008 ( 3.178 -3.045 -0.457) 4.425 20.271 ( 6.721 0.273 0.324) 6.735 20.289 ( 7.562 -1.572 -0.120) 7.725 22.774 ( -1.234 5.708 0.784) 5.892 22.842 ( -1.365 6.084 -2.196) 6.611 22.865 ( -1.421 -3.954 0.883) 4.293 22.931 ( -1.134 -3.637 -1.778) 4.205 25.496 ( 21.381 2.296 1.036) 21.529 25.541 ( 24.409 -1.479 -0.061) 24.454 25.604 ( 28.484 2.021 1.788) 28.612 25.688 ( 34.995 -6.211 -5.048) 35.898 29.651 ( -2.139 4.438 -1.664) 5.200 29.667 ( -0.668 4.561 1.547) 4.862 29.721 ( -1.138 -2.112 -1.830) 3.017 29.747 ( 0.606 -2.934 1.295) 3.264 31.094 ( 0.193 9.145 1.232) 9.229 31.163 ( -0.473 5.453 -4.265) 6.939 31.485 ( -3.318 2.610 0.959) 4.330 31.634 ( -3.835 -9.788 -11.627) 15.674 33.214 ( -3.488 2.730 1.358) 4.633 33.269 ( -2.959 -3.031 -2.802) 5.079 33.433 ( -6.117 1.189 -0.543) 6.255 33.456 ( -4.653 -1.394 0.427) 4.876 36.199 ( -1.156 2.690 8.720) 9.198 36.259 ( -1.434 -3.337 3.121) 4.789 36.443 ( -1.963 -0.721 0.259) 2.107 36.477 ( -2.210 -3.844 -3.698) 5.773 37.556 ( -5.892 9.708 4.871) 12.357 37.631 ( -5.288 3.337 -0.448) 6.269 38.388 ( -16.931 0.363 3.972) 17.394 38.530 ( -12.611 -12.933 -3.395) 18.380 ======================= Grid point 134 (76/84) ======================= q-point: ( 0.18 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 7.478 2.250 5.241) 9.405 1.545 ( 3.318 -2.969 -4.145) 6.083 1.641 ( 14.290 5.324 4.350) 15.858 1.711 ( 7.722 -1.427 2.942) 8.386 1.977 ( 7.324 2.169 -5.754) 9.563 2.034 ( 1.061 5.578 -8.483) 10.208 2.106 ( 12.971 -9.412 -0.075) 16.026 2.156 ( 2.513 -6.364 -6.005) 9.103 2.389 ( 12.381 3.762 -3.903) 13.516 2.467 ( 14.338 -4.466 -0.827) 15.040 2.810 ( 14.687 2.149 -0.319) 14.847 2.851 ( 14.399 -2.543 -0.657) 14.637 3.090 ( 2.892 8.869 1.534) 9.454 3.207 ( 5.587 -2.749 1.260) 6.353 3.377 ( 4.863 4.480 -4.191) 7.829 3.422 ( 11.265 6.610 10.491) 16.752 3.465 ( 13.073 -2.794 2.680) 13.634 3.554 ( 2.733 -4.588 6.276) 8.241 3.932 ( 5.204 -3.566 2.371) 6.739 3.938 ( 8.020 -4.011 2.800) 9.394 4.048 ( -3.940 10.139 -3.312) 11.371 4.249 ( -5.670 -7.928 0.373) 9.755 4.294 ( -1.731 5.378 0.582) 5.680 4.408 ( -0.687 -4.498 -2.940) 5.417 4.692 ( 5.607 4.380 1.202) 7.216 4.760 ( 0.810 2.065 -5.084) 5.547 4.849 ( -4.739 -1.707 4.903) 7.029 4.873 ( 0.207 3.373 -0.244) 3.388 4.948 ( -3.047 -7.620 -4.172) 9.206 4.973 ( 2.244 -4.392 0.778) 4.993 5.198 ( 4.181 1.625 4.420) 6.298 5.227 ( 1.253 -0.582 4.054) 4.283 5.473 ( 9.854 1.411 -3.515) 10.557 5.503 ( 7.669 2.044 -2.551) 8.336 5.533 ( 4.534 -0.552 0.693) 4.620 5.577 ( 4.666 -1.875 0.546) 5.058 6.967 ( 8.273 3.102 -0.902) 8.881 7.009 ( 8.178 -1.197 1.587) 8.416 7.080 ( 5.999 1.309 0.814) 6.194 7.134 ( 4.819 -3.357 -1.693) 6.112 8.205 ( 3.083 0.386 0.455) 3.141 8.231 ( 1.358 -2.022 -0.101) 2.437 8.368 ( 0.797 2.064 -1.007) 2.431 8.409 ( 3.526 -2.275 -0.650) 4.247 8.667 ( 10.149 2.737 -0.804) 10.543 8.709 ( 9.536 -1.640 -1.454) 9.785 8.865 ( 14.165 2.950 0.484) 14.477 8.907 ( 15.310 -1.513 0.603) 15.396 10.854 ( -13.233 3.311 0.171) 13.642 10.889 ( -11.333 1.804 -0.387) 11.482 10.921 ( -12.005 -2.620 0.789) 12.313 10.935 ( -11.491 -2.136 -1.295) 11.759 11.313 ( 1.272 3.940 -0.077) 4.141 11.389 ( 1.729 -3.781 -0.883) 4.250 11.512 ( 2.896 2.145 -1.412) 3.871 11.565 ( 3.193 -3.050 -1.162) 4.566 12.555 ( 1.129 2.607 -0.233) 2.851 12.595 ( 1.172 -1.037 0.962) 1.837 12.664 ( 1.162 1.472 -1.148) 2.199 12.698 ( 1.445 -1.581 0.226) 2.153 13.938 ( -0.517 1.932 -0.926) 2.204 13.992 ( 4.642 -3.491 -2.403) 6.285 14.123 ( -0.842 2.732 1.737) 3.345 14.168 ( 5.366 -1.779 1.687) 5.899 14.731 ( 7.397 4.509 1.869) 8.862 14.797 ( 8.319 4.871 0.008) 9.640 14.851 ( 6.138 -6.808 1.172) 9.241 14.924 ( 7.229 -7.072 -0.815) 10.146 16.307 ( 0.916 1.334 -0.527) 1.702 16.330 ( 1.129 -0.949 -0.492) 1.555 16.371 ( 3.960 0.573 1.497) 4.272 16.400 ( 5.191 -2.347 0.971) 5.779 16.860 ( -20.796 2.440 0.148) 20.939 16.883 ( -19.004 -0.062 -0.445) 19.009 16.996 ( -20.451 2.357 -0.944) 20.608 17.042 ( -20.626 -2.305 0.178) 20.755 20.132 ( 13.475 1.374 -0.851) 13.571 20.158 ( 12.722 -1.284 -1.037) 12.829 20.481 ( 13.927 0.706 0.187) 13.946 20.509 ( 14.007 -2.145 -0.356) 14.175 22.730 ( -3.460 5.192 -0.496) 6.259 22.784 ( -4.040 3.678 -0.486) 5.485 22.831 ( -2.565 -2.286 0.104) 3.437 22.883 ( -3.580 -3.742 -0.381) 5.193 26.071 ( 33.354 6.023 3.256) 34.049 26.163 ( 34.902 0.163 -1.302) 34.927 26.311 ( 37.808 1.535 5.457) 38.230 26.486 ( 40.389 -13.577 -10.760) 43.948 29.589 ( -3.997 4.953 -1.898) 6.641 29.630 ( -3.279 2.986 1.943) 4.842 29.692 ( -1.940 -1.090 -2.536) 3.374 29.739 ( -1.796 -3.490 1.600) 4.239 31.122 ( 3.078 6.855 0.277) 7.519 31.173 ( 2.239 3.812 -2.359) 5.011 31.428 ( -1.573 2.222 1.758) 3.241 31.547 ( -3.278 -8.026 -7.199) 11.269 33.101 ( -7.637 2.707 -2.395) 8.449 33.146 ( -8.821 -2.014 -5.765) 10.728 33.263 ( -10.469 2.437 1.637) 10.873 33.320 ( -8.766 -3.694 2.430) 9.819 36.172 ( -1.911 2.244 8.544) 9.038 36.222 ( -2.246 -2.987 3.918) 5.415 36.386 ( -3.437 0.074 -0.342) 3.454 36.416 ( -3.450 -2.880 -4.331) 6.242 37.422 ( -7.009 7.813 5.063) 11.653 37.501 ( -7.046 0.948 1.022) 7.182 38.018 ( -18.131 6.341 3.345) 19.497 38.206 ( -17.496 -12.250 -5.117) 21.962 ======================= Grid point 135 (77/84) ======================= q-point: ( 0.27 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 6.410 -0.330 0.450) 6.434 1.665 ( 9.668 -4.172 5.558) 11.906 1.909 ( 11.774 0.098 -3.421) 12.261 1.929 ( 12.142 -0.986 0.787) 12.207 2.088 ( 5.699 5.860 -7.795) 11.295 2.145 ( 9.410 6.953 -2.803) 12.031 2.209 ( 3.647 -5.792 -3.788) 7.823 2.310 ( 8.789 -9.822 0.950) 13.214 2.629 ( 11.052 7.340 -1.076) 13.311 2.758 ( 13.245 -6.123 2.094) 14.741 3.029 ( 4.254 2.354 -2.197) 5.335 3.062 ( 3.056 -0.488 1.214) 3.324 3.180 ( 6.869 4.644 1.459) 8.419 3.261 ( 3.268 -3.763 0.982) 5.080 3.385 ( -1.493 3.188 -2.242) 4.174 3.501 ( -2.905 -5.778 3.292) 7.257 3.571 ( 1.063 0.634 0.710) 1.427 3.628 ( 0.715 -3.524 5.198) 6.320 3.907 ( -3.102 3.772 4.778) 6.832 3.965 ( -2.188 0.138 -0.857) 2.354 4.118 ( 1.138 0.972 -4.021) 4.290 4.165 ( -3.479 -2.817 -2.694) 5.225 4.220 ( -4.427 7.583 2.899) 9.247 4.341 ( -6.123 -4.355 3.765) 8.404 4.685 ( -1.921 7.158 -1.489) 7.560 4.810 ( 0.605 -5.377 -0.206) 5.415 4.877 ( 5.140 3.171 -0.275) 6.045 4.958 ( 6.551 -1.356 -3.434) 7.519 4.982 ( 3.232 0.050 -0.889) 3.353 5.065 ( 4.956 -5.082 -1.514) 7.258 5.272 ( 3.310 1.547 4.236) 5.594 5.292 ( 4.187 -0.540 3.118) 5.248 5.608 ( 5.450 2.441 -0.494) 5.992 5.634 ( 5.833 0.151 3.608) 6.860 5.730 ( 12.275 1.244 -3.521) 12.831 5.769 ( 11.997 -2.205 -3.610) 12.720 7.210 ( 15.816 3.380 -1.697) 16.262 7.260 ( 13.014 -1.188 0.062) 13.069 7.287 ( 17.135 0.004 1.690) 17.219 7.326 ( 14.017 -3.142 1.001) 14.400 8.242 ( 1.437 1.103 0.315) 1.838 8.279 ( 2.702 -2.692 -0.104) 3.815 8.374 ( 0.981 3.654 -0.468) 3.813 8.453 ( 1.403 -4.358 -0.314) 4.589 8.931 ( 15.442 2.967 -0.995) 15.756 8.975 ( 16.160 -1.673 -1.877) 16.354 9.169 ( 15.610 4.285 1.273) 16.238 9.233 ( 16.448 -2.417 1.615) 16.703 10.546 ( -15.865 3.251 -0.014) 16.195 10.584 ( -16.600 0.906 0.038) 16.625 10.621 ( -16.116 -0.930 -1.335) 16.198 10.655 ( -15.078 -2.980 1.242) 15.420 11.453 ( 11.457 4.019 0.736) 12.164 11.514 ( 9.932 -1.831 -1.260) 10.178 11.665 ( 11.501 0.666 -1.653) 11.638 11.701 ( 9.978 -2.502 -1.827) 10.447 12.573 ( 0.727 1.621 -0.281) 1.799 12.606 ( -0.115 -1.259 0.858) 1.528 12.676 ( 0.290 0.920 -1.049) 1.425 12.706 ( -0.157 -1.898 0.412) 1.948 13.896 ( -4.057 7.659 -1.662) 8.825 14.019 ( -4.310 3.027 -1.572) 5.496 14.079 ( -2.817 -2.407 1.028) 3.845 14.209 ( -2.713 -7.601 2.006) 8.317 14.846 ( 2.830 2.685 0.999) 4.027 14.897 ( 0.946 3.807 -0.322) 3.936 14.921 ( 1.518 -4.999 1.695) 5.492 14.984 ( -0.336 -5.024 -0.181) 5.039 16.161 ( -17.792 0.776 -0.601) 17.819 16.173 ( -16.095 -0.493 -0.514) 16.111 16.247 ( -16.788 1.556 0.864) 16.882 16.279 ( -17.363 -1.722 0.657) 17.461 16.596 ( -4.210 3.352 0.719) 5.430 16.640 ( -3.538 -0.635 0.273) 3.605 16.678 ( -9.285 -0.568 -0.043) 9.302 16.709 ( -8.484 -2.771 -0.902) 8.970 20.502 ( 22.069 1.119 -0.368) 22.100 20.519 ( 22.074 -0.609 -1.413) 22.127 20.819 ( 18.804 0.544 0.481) 18.818 20.840 ( 18.201 -1.519 0.037) 18.264 22.627 ( -6.629 4.407 -1.009) 8.024 22.676 ( -6.724 1.668 -0.377) 6.938 22.744 ( -6.267 -1.475 0.237) 6.443 22.781 ( -6.642 -3.123 0.343) 7.348 26.768 ( 33.874 7.706 4.185) 34.990 26.872 ( 34.079 2.265 -2.334) 34.233 27.034 ( 31.993 -0.361 6.962) 32.744 27.214 ( 31.368 -13.988 -10.235) 35.839 29.483 ( -6.486 4.977 -1.160) 8.257 29.533 ( -6.533 1.225 1.240) 6.761 29.627 ( -4.494 -0.911 -2.941) 5.448 29.666 ( -5.590 -3.389 1.573) 6.724 31.234 ( 8.201 4.242 -0.034) 9.233 31.268 ( 7.511 1.629 -1.250) 7.786 31.455 ( 4.555 1.843 1.685) 5.195 31.529 ( 2.376 -4.909 -3.148) 6.297 32.900 ( -12.244 1.023 -5.523) 13.471 32.915 ( -13.533 -0.610 -5.695) 14.695 33.029 ( -12.250 4.055 4.291) 13.598 33.114 ( -11.524 -4.845 2.867) 12.826 36.138 ( -1.875 1.748 8.309) 8.696 36.178 ( -2.346 -2.582 5.806) 6.774 36.316 ( -3.075 0.913 -2.753) 4.227 36.341 ( -3.446 -1.757 -5.116) 6.414 37.299 ( -5.184 5.648 4.383) 8.831 37.368 ( -5.861 -0.513 1.858) 6.170 37.699 ( -13.274 6.923 1.089) 15.011 37.866 ( -15.133 -9.735 -5.750) 18.890 ======================= Grid point 136 (78/84) ======================= q-point: ( 0.36 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 7.069 3.970 0.983) 8.167 1.839 ( 5.733 -1.465 0.872) 5.981 2.099 ( 9.233 1.247 -0.477) 9.329 2.172 ( 9.699 -6.057 -2.330) 11.670 2.249 ( 10.844 4.474 -0.663) 11.749 2.321 ( 8.905 1.807 -5.356) 10.548 2.404 ( 14.646 0.085 0.531) 14.656 2.513 ( 11.448 -7.912 1.190) 13.967 2.814 ( 6.958 7.428 0.072) 10.178 2.953 ( 3.587 -6.969 3.851) 8.733 3.006 ( -4.574 2.423 3.052) 6.009 3.048 ( -0.563 -0.637 -0.117) 0.858 3.240 ( -2.709 2.292 0.388) 3.570 3.307 ( -0.863 -3.992 0.714) 4.146 3.344 ( -3.061 -2.924 0.389) 4.251 3.397 ( -6.149 -8.473 0.629) 10.489 3.585 ( 0.895 1.436 -1.538) 2.286 3.622 ( -0.330 -3.125 -2.720) 4.156 3.845 ( -2.058 4.945 1.305) 5.513 3.906 ( -3.176 -1.051 -0.972) 3.484 4.022 ( -5.695 6.437 -0.803) 8.632 4.084 ( -6.768 1.935 1.150) 7.132 4.166 ( -2.700 2.436 2.883) 4.641 4.220 ( -3.623 -1.086 1.872) 4.220 4.715 ( 3.866 7.016 -0.570) 8.031 4.839 ( 2.350 -6.080 -1.267) 6.640 4.921 ( 0.151 4.837 -0.533) 4.869 4.996 ( -1.225 -1.924 0.913) 2.457 5.059 ( 2.904 1.842 -1.595) 3.791 5.121 ( 1.081 -3.350 -3.381) 4.881 5.325 ( 1.216 1.209 2.690) 3.190 5.349 ( 0.977 -1.271 1.929) 2.508 5.702 ( 3.700 1.856 -0.374) 4.156 5.743 ( 3.869 -2.069 2.773) 5.190 5.935 ( 7.474 1.058 -1.595) 7.715 5.977 ( 7.768 -3.053 -4.407) 9.438 7.536 ( 13.816 1.532 -1.094) 13.944 7.562 ( 15.428 -0.266 -0.574) 15.441 7.610 ( 13.875 2.432 0.806) 14.110 7.676 ( 16.633 -3.323 1.696) 17.046 8.267 ( 1.945 2.708 0.277) 3.345 8.329 ( 2.070 -3.792 0.261) 4.327 8.439 ( 5.271 2.686 -0.180) 5.919 8.493 ( 2.537 -2.677 -0.296) 3.700 9.255 ( 15.852 4.140 -1.457) 16.449 9.322 ( 17.157 -2.883 -2.541) 17.582 9.480 ( 14.199 4.032 2.345) 14.945 9.550 ( 13.855 -3.266 3.011) 14.550 10.245 ( -13.372 1.639 -1.592) 13.566 10.274 ( -13.230 -0.788 -1.242) 13.311 10.314 ( -13.203 1.733 -0.074) 13.317 10.363 ( -13.336 -2.871 1.990) 13.786 11.761 ( 18.565 1.713 1.184) 18.682 11.784 ( 16.959 -0.635 -0.603) 16.981 11.954 ( 16.855 0.080 -1.668) 16.937 11.967 ( 16.585 -1.039 -1.830) 16.718 12.572 ( -1.481 1.465 -0.638) 2.179 12.590 ( -1.824 0.018 0.751) 1.972 12.671 ( -0.997 0.457 -1.118) 1.566 12.702 ( -0.450 -2.427 0.996) 2.662 13.776 ( -7.194 9.144 -1.476) 11.728 13.869 ( -9.054 8.995 0.523) 12.773 13.966 ( -8.609 -8.331 -1.082) 12.029 14.064 ( -10.875 -9.084 1.785) 14.282 14.759 ( -13.019 5.174 0.284) 14.012 14.765 ( -14.184 5.107 0.293) 15.078 14.867 ( -8.511 -5.590 0.093) 10.183 14.878 ( -11.085 -6.015 0.968) 12.649 15.853 ( -7.507 1.320 -0.331) 7.630 15.878 ( -8.581 -1.278 -0.249) 8.679 15.975 ( -5.426 0.500 0.229) 5.454 15.985 ( -6.915 -0.498 0.192) 6.936 16.524 ( -4.457 1.466 -0.308) 4.702 16.531 ( -6.123 1.282 -0.176) 6.259 16.573 ( -4.960 -1.140 0.209) 5.093 16.596 ( -5.359 -2.574 0.672) 5.983 20.967 ( 22.616 1.428 -0.455) 22.666 20.991 ( 23.365 -1.131 -1.504) 23.440 21.198 ( 17.414 0.547 0.706) 17.437 21.214 ( 17.818 -0.965 0.889) 17.866 22.470 ( -8.443 3.442 -1.220) 9.199 22.514 ( -8.947 0.204 -0.562) 8.967 22.582 ( -9.462 -0.668 0.490) 9.498 22.612 ( -9.960 -2.419 0.584) 10.267 27.392 ( 26.702 6.646 3.336) 27.718 27.493 ( 26.617 2.173 -2.201) 26.797 27.576 ( 20.793 -0.419 5.732) 21.573 27.727 ( 19.797 -10.369 -6.732) 23.340 29.331 ( -8.090 3.631 0.176) 8.870 29.372 ( -9.002 -0.128 0.555) 9.020 29.514 ( -6.313 -1.043 -1.343) 6.538 29.531 ( -6.777 -2.226 -0.953) 7.197 31.448 ( 12.566 2.181 0.676) 12.772 31.471 ( 12.158 0.192 -0.667) 12.178 31.607 ( 9.781 1.224 1.140) 9.923 31.643 ( 8.596 -2.195 -1.134) 8.944 32.605 ( -16.047 0.167 -4.079) 16.559 32.607 ( -16.172 -0.122 -4.239) 16.719 32.791 ( -11.324 4.135 3.366) 12.516 32.870 ( -12.363 -4.198 1.854) 13.187 36.108 ( -1.494 1.326 7.999) 8.245 36.138 ( -1.955 -1.844 7.424) 7.895 36.265 ( -1.709 0.903 -5.587) 5.912 36.281 ( -1.834 -0.841 -5.921) 6.255 37.222 ( -2.640 3.831 3.568) 5.863 37.274 ( -3.430 -0.853 2.011) 4.067 37.486 ( -7.961 5.031 -0.167) 9.420 37.605 ( -10.198 -6.861 -5.242) 13.363 ======================= Grid point 137 (79/84) ======================= q-point: ( 0.45 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.735 3.584 0.471) 4.010 1.894 ( 0.523 0.820 -1.192) 1.539 2.298 ( 8.849 2.039 1.060) 9.143 2.328 ( 6.472 -1.437 1.477) 6.792 2.453 ( 4.158 4.523 -0.995) 6.224 2.478 ( 3.612 2.168 -1.600) 4.506 2.658 ( 10.871 1.442 -0.360) 10.972 2.771 ( 12.310 -5.658 0.651) 13.564 2.862 ( -4.142 0.381 -0.689) 4.216 2.917 ( 1.381 -2.166 4.263) 4.978 2.981 ( -2.029 -4.845 5.538) 7.632 3.012 ( -5.240 -6.875 1.051) 8.708 3.153 ( 0.686 4.507 -1.624) 4.839 3.214 ( -8.736 -3.070 2.821) 9.680 3.242 ( -5.428 -2.787 1.814) 6.366 3.309 ( -2.004 -8.295 -5.195) 9.990 3.601 ( 1.168 1.179 -1.780) 2.434 3.627 ( 0.603 -1.698 -3.960) 4.351 3.831 ( -1.338 2.156 -0.689) 2.630 3.854 ( -1.008 -0.293 -0.115) 1.056 3.949 ( -4.147 4.773 2.322) 6.735 3.955 ( -1.060 4.201 -0.462) 4.357 4.107 ( -2.056 6.573 5.900) 9.069 4.197 ( -0.014 -1.658 -2.885) 3.328 4.795 ( 3.308 6.755 1.567) 7.683 4.896 ( -0.105 0.588 -1.531) 1.643 4.900 ( 0.754 0.571 -0.304) 0.994 4.951 ( -2.266 -1.806 -0.215) 2.906 5.091 ( 0.498 0.624 0.269) 0.842 5.125 ( -0.313 -2.699 -2.388) 3.617 5.333 ( -0.283 0.845 2.231) 2.402 5.355 ( 0.584 -1.392 -0.818) 1.717 5.751 ( 0.663 0.223 2.585) 2.678 5.792 ( 1.654 -3.778 -1.736) 4.475 6.028 ( 2.072 1.097 -0.056) 2.345 6.069 ( 1.820 -3.126 -3.836) 5.272 7.750 ( 5.199 1.026 0.436) 5.318 7.760 ( 6.588 0.072 -0.486) 6.606 7.828 ( 5.416 1.788 -1.119) 5.812 7.864 ( 1.760 -2.004 0.829) 2.793 8.350 ( 5.574 3.134 0.452) 6.410 8.401 ( 4.239 -2.045 0.698) 4.758 8.514 ( -0.402 1.315 0.119) 1.380 8.527 ( 1.495 -0.055 -0.481) 1.572 9.541 ( 11.915 3.813 -1.472) 12.597 9.608 ( 8.942 -2.879 -1.682) 9.543 9.678 ( 3.855 2.025 2.138) 4.851 9.723 ( 0.999 -2.439 2.992) 3.987 10.056 ( -2.794 1.646 -3.138) 4.512 10.092 ( -6.379 -0.756 -0.584) 6.450 10.111 ( -4.050 -0.290 -0.241) 4.068 10.146 ( -7.655 -2.591 2.050) 8.338 12.159 ( 18.650 0.659 0.447) 18.667 12.173 ( 19.711 -0.775 -0.007) 19.727 12.318 ( 15.619 0.380 -1.027) 15.657 12.320 ( 15.985 0.180 -0.962) 16.015 12.474 ( -8.107 1.886 -0.571) 8.343 12.501 ( -8.817 -0.814 0.225) 8.858 12.614 ( -4.641 1.392 -0.507) 4.871 12.654 ( -5.853 -2.642 0.744) 6.464 13.642 ( -4.213 7.720 -0.804) 8.831 13.681 ( -8.392 7.775 0.667) 11.460 13.793 ( -5.514 -8.021 -1.206) 9.808 13.826 ( -10.119 -7.416 1.143) 12.598 14.443 ( -11.278 10.021 2.374) 15.272 14.480 ( -9.892 10.119 -1.978) 14.288 14.636 ( -8.603 -10.159 2.790) 13.602 14.671 ( -6.640 -9.888 -2.213) 12.114 15.824 ( 1.266 0.273 -0.788) 1.516 15.828 ( 0.828 -0.212 -0.899) 1.240 15.991 ( 3.981 0.348 1.100) 4.145 16.000 ( 3.933 -0.697 0.910) 4.097 16.399 ( -5.094 0.708 -0.910) 5.223 16.418 ( -6.095 -1.257 -1.129) 6.324 16.482 ( -2.018 0.914 0.985) 2.424 16.500 ( -3.399 -0.849 0.975) 3.636 21.356 ( 14.048 1.913 -0.612) 14.190 21.390 ( 13.020 -1.659 -0.725) 13.146 21.464 ( 7.691 1.199 -0.075) 7.785 21.485 ( 6.396 -1.058 1.219) 6.597 22.333 ( -3.013 1.833 -0.982) 3.661 22.361 ( -4.050 -0.291 -0.734) 4.126 22.389 ( -8.385 -0.365 0.537) 8.410 22.406 ( -9.016 -1.358 0.673) 9.143 27.809 ( 13.028 2.628 2.046) 13.447 27.856 ( 6.672 -1.397 4.184) 7.998 27.906 ( 12.623 3.010 -2.597) 13.234 27.985 ( 5.052 -4.384 -3.214) 7.421 29.189 ( -4.738 1.827 1.542) 5.307 29.211 ( -5.310 -0.270 0.232) 5.322 29.393 ( -4.215 0.739 0.951) 4.384 29.434 ( -2.326 -3.362 -4.352) 5.971 31.705 ( 10.825 0.809 2.023) 11.042 31.720 ( 10.525 -0.664 1.698) 10.682 31.796 ( 6.849 1.672 -1.053) 7.129 31.826 ( 7.170 -1.355 -1.911) 7.543 32.291 ( -12.798 0.118 -2.098) 12.970 32.292 ( -12.813 0.047 -2.068) 12.979 32.607 ( -5.407 2.361 1.894) 6.197 32.650 ( -8.017 -2.145 0.780) 8.335 36.087 ( -0.972 1.127 7.624) 7.768 36.110 ( -1.168 -1.307 7.727) 7.923 36.241 ( -0.255 1.331 -6.469) 6.610 36.264 ( 0.291 -1.147 -6.923) 7.023 37.195 ( -0.233 2.830 3.109) 4.211 37.233 ( -0.765 -0.392 1.445) 1.681 37.376 ( -2.812 2.799 0.060) 3.968 37.454 ( -4.380 -4.703 -4.592) 7.899 ======================= Grid point 138 (80/84) ======================= q-point: (-0.45 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.864 ( -1.652 2.719 0.160) 3.185 1.886 ( -0.732 0.658 -0.426) 1.073 2.293 ( -10.156 5.811 1.802) 11.839 2.356 ( -10.962 0.389 -1.220) 11.037 2.394 ( -2.579 3.314 2.865) 5.083 2.470 ( -3.898 -3.869 0.505) 5.516 2.711 ( -8.218 -1.434 -4.906) 9.677 2.757 ( -7.875 -5.340 1.395) 9.617 2.866 ( 2.226 4.670 -0.769) 5.230 2.896 ( -0.741 4.626 4.971) 6.831 3.015 ( -0.285 -5.937 2.134) 6.315 3.047 ( 3.298 -7.867 0.557) 8.548 3.084 ( 3.014 -0.660 2.508) 3.976 3.165 ( 1.456 -7.280 7.063) 10.247 3.285 ( 7.519 0.854 -4.398) 8.753 3.350 ( 7.242 -5.694 -4.931) 10.449 3.577 ( -3.792 0.925 -0.989) 4.026 3.606 ( -2.972 -2.280 -2.373) 4.434 3.846 ( 3.926 2.304 0.720) 4.608 3.858 ( 2.021 0.267 -2.115) 2.937 3.926 ( 1.057 6.512 3.054) 7.270 3.992 ( 3.727 0.563 -1.327) 3.996 4.094 ( 0.383 7.982 5.073) 9.465 4.212 ( 1.981 -1.738 -3.109) 4.076 4.815 ( -3.196 6.958 0.126) 7.658 4.856 ( -0.751 1.897 0.849) 2.210 4.876 ( -1.749 2.032 1.966) 3.325 4.986 ( 3.116 -3.282 -2.495) 5.168 5.084 ( -0.931 -0.570 1.454) 1.819 5.108 ( -1.292 -4.289 -1.627) 4.766 5.336 ( 0.688 2.593 0.784) 2.795 5.380 ( 1.578 -2.345 -1.865) 3.386 5.733 ( -2.043 2.582 2.434) 4.094 5.819 ( 0.822 -6.210 -2.183) 6.634 6.024 ( -2.606 0.674 0.406) 2.722 6.053 ( -3.173 -2.268 -2.785) 4.793 7.745 ( -5.404 0.456 0.723) 5.472 7.751 ( -8.231 -0.100 0.587) 8.253 7.824 ( -3.399 3.303 -0.702) 4.791 7.881 ( -1.665 -2.594 -0.863) 3.201 8.369 ( -5.369 3.152 -1.395) 6.380 8.414 ( -2.170 -1.063 -0.374) 2.446 8.508 ( -1.774 0.354 1.295) 2.225 8.511 ( -1.054 -0.063 0.354) 1.114 9.519 ( -11.407 2.890 0.640) 11.785 9.574 ( -10.806 -2.875 1.386) 11.268 9.724 ( -1.870 2.798 -2.024) 3.927 9.770 ( 0.188 -2.094 -1.480) 2.572 9.994 ( 3.232 1.939 2.801) 4.696 10.044 ( 0.554 -3.335 2.090) 3.974 10.144 ( 7.769 1.869 -1.761) 8.182 10.188 ( 7.988 -2.648 -1.997) 8.649 12.173 ( -17.751 0.204 -0.840) 17.772 12.177 ( -19.745 -0.200 -0.339) 19.748 12.302 ( -15.777 0.515 0.444) 15.791 12.307 ( -17.288 -0.080 0.243) 17.290 12.466 ( 7.376 2.003 0.219) 7.646 12.503 ( 8.876 -1.937 -0.035) 9.085 12.609 ( 4.265 2.750 -0.026) 5.075 12.665 ( 6.468 -3.046 -0.336) 7.157 13.624 ( 4.343 7.231 0.765) 8.469 13.695 ( 7.802 8.022 -0.634) 11.208 13.768 ( 5.804 -7.386 1.061) 9.453 13.849 ( 9.926 -7.804 -1.031) 12.668 14.439 ( 10.926 9.468 2.100) 14.610 14.489 ( 10.740 10.704 -2.129) 15.312 14.623 ( 7.476 -9.937 2.512) 12.686 14.687 ( 8.107 -10.139 -2.234) 13.173 15.826 ( -1.023 0.158 -0.964) 1.415 15.828 ( -0.606 -0.070 -0.901) 1.088 15.999 ( -3.998 0.037 0.323) 4.011 16.003 ( -3.719 -0.368 0.689) 3.800 16.385 ( 4.061 0.502 0.429) 4.114 16.402 ( 5.225 -1.289 0.448) 5.400 16.492 ( 2.668 1.039 0.043) 2.863 16.509 ( 4.103 -0.766 0.020) 4.174 21.347 ( -13.441 1.343 0.136) 13.509 21.371 ( -14.034 -1.082 0.914) 14.105 21.474 ( -6.174 2.077 -0.814) 6.564 21.513 ( -6.752 -1.929 -1.386) 7.158 22.317 ( 2.805 1.635 0.537) 3.291 22.346 ( 4.506 -1.171 0.607) 4.695 22.398 ( 8.080 0.703 -0.319) 8.117 22.420 ( 8.618 -1.366 -0.598) 8.746 27.799 ( -11.495 4.146 2.677) 12.509 27.865 ( -12.827 -1.339 2.591) 13.154 27.925 ( -6.693 0.391 -2.217) 7.062 27.974 ( -5.545 -3.413 -3.317) 7.308 29.189 ( 4.517 1.440 1.273) 4.909 29.213 ( 5.469 -0.671 0.456) 5.529 29.379 ( 2.810 2.613 0.588) 3.882 29.449 ( 4.130 -4.479 -4.206) 7.403 31.717 ( -10.389 2.617 0.913) 10.753 31.756 ( -11.113 -1.306 -0.982) 11.233 31.796 ( -6.222 0.041 0.355) 6.233 31.804 ( -5.969 -0.848 -1.676) 6.258 32.258 ( 10.160 0.609 0.833) 10.212 32.268 ( 10.337 -0.434 0.242) 10.349 32.627 ( 6.391 1.047 -0.116) 6.477 32.644 ( 8.721 -0.757 1.277) 8.847 36.080 ( -0.223 1.010 7.539) 7.609 36.100 ( -0.237 -1.163 7.526) 7.619 36.250 ( 1.484 1.629 -6.639) 6.996 36.279 ( 1.600 -1.514 -7.083) 7.418 37.212 ( 1.665 2.928 2.808) 4.385 37.240 ( 1.306 0.927 -0.414) 1.654 37.379 ( 3.165 0.502 2.022) 3.789 37.428 ( 2.158 -3.818 -4.427) 6.232 ======================= Grid point 139 (81/84) ======================= q-point: (-0.36 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -5.280 5.138 -0.436) 7.380 1.852 ( -2.942 -0.405 -0.603) 3.030 2.052 ( -11.308 1.409 2.413) 11.648 2.080 ( -15.219 -1.414 4.493) 15.932 2.233 ( -11.378 -1.424 3.629) 12.027 2.275 ( -12.655 -6.471 -2.274) 14.394 2.509 ( -10.050 1.679 -9.223) 13.743 2.606 ( -9.312 -6.296 -7.009) 13.247 2.769 ( -5.602 13.240 4.333) 15.015 2.955 ( 2.507 3.260 4.959) 6.442 3.003 ( -2.821 -9.133 -0.908) 9.602 3.049 ( -1.195 -3.622 3.890) 5.448 3.172 ( 1.676 0.279 5.925) 6.164 3.249 ( 2.152 -5.927 6.876) 9.330 3.371 ( -0.489 3.625 -5.178) 6.340 3.454 ( -0.621 -4.669 -3.657) 5.963 3.549 ( 3.784 0.691 2.295) 4.479 3.608 ( 6.871 -5.823 -2.638) 9.385 3.900 ( 2.470 4.970 -4.524) 7.160 3.953 ( 5.725 -0.619 -1.460) 5.940 3.974 ( 2.615 5.648 4.201) 7.508 4.059 ( 1.537 -2.802 3.624) 4.832 4.159 ( 6.435 9.509 0.112) 11.482 4.290 ( 5.917 -2.822 -2.802) 7.129 4.733 ( -3.939 4.648 -2.339) 6.526 4.797 ( -3.213 -3.550 2.576) 5.437 4.889 ( 0.468 7.947 2.135) 8.242 5.013 ( -0.852 1.377 -0.358) 1.658 5.054 ( -2.994 -2.785 0.733) 4.154 5.083 ( -0.409 -8.235 -1.737) 8.427 5.350 ( 0.287 2.909 0.083) 2.924 5.392 ( -0.799 -2.008 -1.703) 2.752 5.679 ( -3.728 5.918 1.659) 7.189 5.801 ( -3.271 -6.820 -1.344) 7.682 5.917 ( -7.936 0.444 -0.103) 7.949 5.934 ( -8.602 -1.053 -1.509) 8.796 7.506 ( -15.079 3.157 1.392) 15.469 7.556 ( -13.376 -2.278 0.248) 13.571 7.635 ( -14.662 3.384 -1.433) 15.116 7.703 ( -15.717 -3.320 -0.912) 16.089 8.287 ( -2.107 2.721 -1.627) 3.807 8.341 ( -3.072 -2.602 -0.761) 4.097 8.426 ( -4.845 1.617 1.009) 5.207 8.475 ( -2.762 -2.997 1.402) 4.310 9.242 ( -15.374 3.041 -0.127) 15.673 9.290 ( -16.372 -1.998 0.547) 16.503 9.509 ( -15.135 4.655 -0.351) 15.838 9.588 ( -15.273 -3.623 -0.610) 15.709 10.212 ( 14.534 1.141 1.372) 14.643 10.237 ( 15.458 -1.522 1.575) 15.613 10.337 ( 11.685 3.509 -1.466) 12.289 10.401 ( 12.785 -3.237 -1.658) 13.293 11.779 ( -17.437 1.937 -0.132) 17.545 11.801 ( -17.995 -0.211 -2.644) 18.189 11.923 ( -16.655 -0.492 1.446) 16.725 11.933 ( -17.509 -1.323 1.043) 17.590 12.557 ( 1.710 1.675 0.758) 2.511 12.595 ( 1.454 -2.291 0.327) 2.733 12.661 ( 1.160 3.222 -0.133) 3.428 12.721 ( 0.313 -3.028 -0.774) 3.141 13.758 ( 7.001 8.425 0.264) 10.957 13.866 ( 8.123 5.749 0.457) 9.962 13.958 ( 9.665 -4.308 0.043) 10.582 14.085 ( 11.011 -9.095 -0.372) 14.286 14.751 ( 14.014 4.647 0.461) 14.772 14.785 ( 13.297 5.649 -1.047) 14.485 14.853 ( 10.664 -5.292 0.872) 11.937 14.907 ( 10.019 -6.334 -1.280) 11.922 15.860 ( 7.690 1.345 -1.006) 7.871 15.885 ( 8.894 -1.312 -0.979) 9.044 15.972 ( 4.963 0.557 0.611) 5.031 15.982 ( 6.257 -0.551 0.468) 6.299 16.510 ( 6.557 0.974 0.807) 6.678 16.528 ( 6.039 -0.334 0.262) 6.054 16.572 ( 4.222 0.640 0.272) 4.279 16.606 ( 4.416 -2.217 -0.184) 4.944 20.972 ( -21.898 0.384 -1.027) 21.925 20.975 ( -22.867 0.086 0.108) 22.867 21.210 ( -17.778 0.715 -0.340) 17.795 21.230 ( -18.510 -1.301 -0.580) 18.564 22.454 ( 8.565 3.744 0.302) 9.352 22.509 ( 9.338 -1.204 -0.141) 9.417 22.587 ( 9.306 0.260 0.070) 9.310 22.619 ( 9.714 -2.259 -0.117) 9.974 27.404 ( -26.864 5.938 3.684) 27.757 27.445 ( -26.537 4.187 0.654) 26.874 27.626 ( -21.963 -1.534 2.078) 22.115 27.739 ( -17.488 -10.906 -8.666) 22.358 29.324 ( 7.500 2.863 0.653) 8.054 29.376 ( 9.027 -2.317 0.685) 9.345 29.481 ( 6.415 4.669 -0.177) 7.936 29.574 ( 7.548 -4.993 -3.362) 9.654 31.462 ( -12.319 3.218 -0.856) 12.761 31.487 ( -12.743 0.333 -2.271) 12.948 31.618 ( -9.133 0.199 0.931) 9.183 31.641 ( -8.531 -2.047 -1.355) 8.877 32.525 ( 13.979 0.223 3.592) 14.435 32.530 ( 13.522 -0.228 2.923) 13.836 32.841 ( 12.866 2.361 -1.504) 13.167 32.884 ( 13.352 -2.248 0.374) 13.545 36.086 ( 0.401 1.185 7.922) 8.020 36.112 ( 1.043 -1.636 7.494) 7.741 36.287 ( 2.446 1.746 -6.346) 7.021 36.321 ( 2.924 -1.853 -6.448) 7.318 37.266 ( 3.523 3.972 2.554) 5.891 37.287 ( 3.559 2.475 -2.206) 4.864 37.506 ( 9.119 -1.430 4.063) 10.085 37.536 ( 8.789 -3.907 -4.970) 10.827 ======================= Grid point 140 (82/84) ======================= q-point: (-0.27 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -10.788 6.648 -1.221) 12.730 1.766 ( -5.269 -3.602 -5.340) 8.322 1.809 ( -9.119 4.309 9.389) 13.780 1.877 ( -6.240 -5.081 1.883) 8.264 2.010 ( -10.785 -4.297 0.616) 11.626 2.042 ( -8.156 -6.408 2.929) 10.778 2.299 ( -10.819 4.168 -9.139) 14.763 2.413 ( -9.131 -6.351 -7.758) 13.561 2.623 ( -9.538 11.307 -0.575) 14.804 2.820 ( -13.391 -8.535 -4.083) 16.396 2.943 ( -5.065 3.939 5.829) 8.668 3.016 ( -5.860 -3.490 6.231) 9.239 3.112 ( -6.457 4.173 6.348) 9.970 3.222 ( -3.004 -6.477 5.581) 9.062 3.349 ( -0.644 6.294 0.366) 6.338 3.457 ( 1.419 -4.824 3.339) 6.037 3.656 ( 4.543 4.126 -4.184) 7.428 3.759 ( 5.515 -5.674 -5.305) 9.526 3.924 ( -1.278 9.980 1.728) 10.209 4.001 ( -0.179 4.102 2.292) 4.702 4.065 ( 1.433 -2.380 -2.240) 3.569 4.096 ( 6.149 -7.725 2.249) 10.127 4.286 ( 4.741 7.416 -3.060) 9.319 4.411 ( 4.306 -4.339 -2.510) 6.609 4.673 ( -1.366 4.333 -0.723) 4.601 4.750 ( -1.852 -4.266 4.948) 6.790 4.866 ( -3.387 4.867 -0.023) 5.930 4.942 ( -5.603 -0.441 -0.130) 5.621 4.977 ( -3.816 -1.599 -0.732) 4.202 5.053 ( -3.248 -6.624 -0.518) 7.395 5.336 ( -1.721 1.537 -0.755) 2.427 5.349 ( -2.549 0.117 -2.811) 3.797 5.558 ( -8.605 5.355 4.102) 10.934 5.650 ( -11.685 -4.419 2.176) 12.681 5.727 ( -9.333 0.786 -2.840) 9.787 5.739 ( -9.373 -0.418 -1.672) 9.530 7.183 ( -15.126 4.723 0.984) 15.877 7.262 ( -13.563 -3.383 -0.179) 13.980 7.314 ( -15.380 0.508 -0.841) 15.411 7.343 ( -16.524 -2.357 -0.646) 16.704 8.255 ( -1.701 0.976 -0.842) 2.134 8.283 ( -2.202 -1.529 -0.507) 2.729 8.362 ( -1.405 2.675 0.574) 3.076 8.436 ( -1.404 -4.582 1.180) 4.935 8.925 ( -15.198 2.162 -0.358) 15.355 8.955 ( -15.831 -0.933 0.029) 15.859 9.185 ( -16.176 4.406 -0.188) 16.766 9.248 ( -17.260 -2.271 0.120) 17.409 10.533 ( 16.382 2.340 0.954) 16.576 10.578 ( 17.172 -2.238 0.929) 17.343 10.614 ( 15.314 3.727 -0.808) 15.782 10.684 ( 14.758 -3.463 -1.361) 15.220 11.488 ( -12.095 2.453 -2.450) 12.582 11.502 ( -10.043 1.601 -0.265) 10.173 11.641 ( -11.139 -0.952 0.466) 11.189 11.666 ( -9.368 -3.022 1.542) 9.963 12.564 ( -0.504 1.682 0.563) 1.844 12.608 ( 0.240 -2.890 0.633) 2.968 12.668 ( -0.386 2.935 -0.269) 2.973 12.716 ( -0.317 -2.174 -0.498) 2.252 13.878 ( 4.479 6.702 0.057) 8.061 13.987 ( 2.734 -0.619 1.170) 3.038 14.103 ( 4.473 2.090 -0.835) 5.008 14.231 ( 2.468 -7.081 -0.266) 7.504 14.870 ( -1.423 2.687 -1.140) 3.247 14.891 ( -1.790 4.212 0.241) 4.583 14.937 ( -1.615 -3.684 0.147) 4.025 15.001 ( 0.935 -7.138 -1.746) 7.408 16.158 ( 16.761 0.836 -0.284) 16.784 16.174 ( 15.412 -0.806 -0.533) 15.442 16.256 ( 18.521 1.391 -0.031) 18.573 16.283 ( 18.848 -1.373 0.276) 18.900 16.612 ( 4.020 3.565 -0.893) 5.447 16.634 ( 4.093 0.451 0.800) 4.195 16.662 ( 6.942 -0.474 1.446) 7.107 16.706 ( 9.501 -4.044 -0.490) 10.338 20.512 ( -21.507 0.552 -0.721) 21.527 20.518 ( -21.733 -0.054 -1.990) 21.824 20.825 ( -19.097 0.188 -0.087) 19.098 20.839 ( -18.975 -1.103 0.126) 19.008 22.615 ( 6.958 4.877 0.154) 8.499 22.676 ( 6.887 0.200 -0.413) 6.902 22.746 ( 6.152 -0.726 0.065) 6.195 22.783 ( 6.306 -2.898 0.107) 6.941 26.776 ( -34.256 6.259 4.778) 35.149 26.825 ( -34.186 4.121 0.542) 34.438 27.077 ( -32.080 0.289 2.163) 32.155 27.255 ( -29.846 -15.795 -12.997) 36.183 29.463 ( 5.931 4.287 0.668) 7.349 29.538 ( 6.564 -3.612 1.039) 7.563 29.607 ( 5.464 6.190 -1.302) 8.359 29.711 ( 5.368 -4.942 -2.677) 7.771 31.261 ( -7.169 4.508 -2.553) 8.845 31.271 ( -8.251 2.665 -1.743) 8.844 31.478 ( -4.133 -0.153 1.123) 4.286 31.519 ( -2.528 -3.658 -3.823) 5.864 32.787 ( 11.477 0.316 5.315) 12.652 32.793 ( 11.961 -0.371 6.070) 13.418 33.100 ( 12.334 2.418 -2.576) 12.830 33.146 ( 12.049 -2.432 -0.541) 12.303 36.107 ( 1.171 1.808 8.460) 8.730 36.149 ( 2.107 -2.831 7.523) 8.309 36.337 ( 2.783 2.245 -4.983) 6.133 36.386 ( 3.607 -2.982 -5.463) 7.193 37.357 ( 5.254 5.739 2.854) 8.288 37.382 ( 5.948 3.825 -3.357) 7.828 37.748 ( 14.567 -2.714 4.901) 15.607 37.775 ( 15.029 -4.762 -5.508) 16.700 ======================= Grid point 141 (83/84) ======================= q-point: (-0.18 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -11.396 11.893 5.065) 17.233 1.641 ( -5.904 -11.815 -6.491) 14.716 1.736 ( -1.687 6.996 0.405) 7.208 1.799 ( -1.893 -1.449 -0.759) 2.502 1.841 ( -6.824 -2.558 0.062) 7.288 1.933 ( -3.717 -0.590 1.699) 4.130 2.054 ( -11.292 -0.425 -0.105) 11.300 2.168 ( -16.677 -8.218 -3.552) 18.928 2.396 ( -12.112 5.995 -4.691) 14.305 2.515 ( -15.758 -6.204 -4.937) 17.641 2.749 ( -11.765 2.165 4.914) 12.932 2.806 ( -12.825 -3.837 3.460) 13.826 3.014 ( -4.359 7.908 6.817) 11.314 3.153 ( -6.377 -7.225 5.956) 11.329 3.285 ( -6.904 12.760 4.860) 15.300 3.452 ( -4.381 -3.341 3.736) 6.657 3.626 ( -9.905 3.670 -6.563) 12.436 3.720 ( -8.730 -1.398 -8.839) 12.502 3.860 ( -4.477 6.460 6.709) 10.334 3.915 ( -10.285 -3.718 2.464) 11.210 4.078 ( 3.997 3.068 -1.684) 5.313 4.269 ( 7.992 -13.463 -0.768) 15.675 4.343 ( 2.149 5.369 -4.389) 7.260 4.427 ( 1.353 -3.440 -4.062) 5.493 4.648 ( -2.128 4.312 4.602) 6.656 4.698 ( -3.259 -0.674 1.621) 3.702 4.816 ( 1.355 1.307 3.924) 4.352 4.875 ( -0.943 2.399 -0.059) 2.579 4.948 ( 1.273 -4.808 -0.709) 5.024 5.000 ( 1.333 -4.405 -2.538) 5.256 5.276 ( -5.156 3.615 -2.301) 6.704 5.310 ( -1.250 0.969 -3.377) 3.729 5.393 ( -5.604 -1.443 6.084) 8.397 5.416 ( -10.122 -4.239 1.426) 11.067 5.577 ( -4.959 1.163 -0.141) 5.096 5.580 ( -5.225 0.942 -1.694) 5.573 6.954 ( -7.416 5.163 0.295) 9.041 7.048 ( -6.821 -3.879 -2.029) 8.105 7.092 ( -6.598 -0.719 0.748) 6.679 7.098 ( -7.445 -0.836 0.617) 7.517 8.226 ( -2.582 -0.135 -1.634) 3.058 8.240 ( -1.115 -1.337 -0.918) 1.968 8.344 ( -1.792 2.242 1.237) 3.125 8.387 ( -3.784 -2.379 1.373) 4.676 8.663 ( -10.049 1.891 -0.428) 10.235 8.690 ( -9.567 -1.016 0.432) 9.631 8.873 ( -14.272 2.923 -0.275) 14.571 8.914 ( -15.393 -1.519 -0.076) 15.468 10.836 ( 12.180 3.001 1.352) 12.617 10.890 ( 12.105 -2.284 1.247) 12.382 10.905 ( 11.412 2.349 -0.711) 11.673 10.957 ( 10.982 -2.688 -1.602) 11.419 11.331 ( -2.082 3.132 -1.916) 4.221 11.384 ( -0.810 -1.641 -0.322) 1.858 11.497 ( -2.411 1.212 -0.077) 2.700 11.547 ( -1.878 -3.384 0.562) 3.911 12.547 ( -1.255 2.620 0.473) 2.943 12.599 ( -1.534 -2.831 0.679) 3.291 12.654 ( -0.844 3.646 -0.216) 3.748 12.704 ( -1.329 -1.681 -0.332) 2.168 13.935 ( 1.640 0.950 -0.580) 1.982 13.966 ( -3.700 -2.038 0.270) 4.233 14.141 ( -0.274 2.736 -0.089) 2.751 14.186 ( -5.428 -1.596 -0.147) 5.660 14.764 ( -8.018 3.550 -0.290) 8.773 14.783 ( -8.415 7.100 0.131) 11.011 14.847 ( -7.169 -3.502 0.667) 8.007 14.983 ( -4.413 -12.874 -4.986) 14.494 16.305 ( -0.840 0.748 -0.257) 1.153 16.325 ( -0.341 -1.272 0.082) 1.319 16.395 ( -4.672 0.483 -0.699) 4.749 16.409 ( -5.740 -0.900 -0.019) 5.810 16.872 ( 20.721 1.665 -0.983) 20.811 16.879 ( 19.168 0.536 -0.213) 19.177 16.975 ( 20.907 3.367 1.057) 21.202 17.042 ( 20.793 -3.552 0.147) 21.095 20.142 ( -14.237 1.084 -1.951) 14.411 20.160 ( -12.460 -0.809 -1.173) 12.542 20.481 ( -14.192 0.288 0.223) 14.197 20.498 ( -14.182 -1.465 0.677) 14.274 22.730 ( 4.510 5.705 -0.529) 7.291 22.780 ( 3.305 3.391 -0.097) 4.736 22.836 ( 3.151 -2.660 -0.419) 4.145 22.874 ( 2.745 -3.618 0.504) 4.569 26.078 ( -33.688 4.579 3.703) 34.199 26.114 ( -34.623 2.622 1.481) 34.754 26.360 ( -37.874 1.302 0.874) 37.906 26.530 ( -40.209 -15.386 -14.129) 45.312 29.561 ( 3.766 4.792 0.901) 6.161 29.638 ( 3.465 -3.516 1.270) 5.097 29.687 ( 2.453 5.867 -2.121) 6.703 29.775 ( 1.262 -3.825 -1.885) 4.447 31.151 ( -3.680 5.907 -0.898) 7.017 31.175 ( -1.577 5.886 -4.287) 7.450 31.455 ( 1.337 0.208 1.088) 1.736 31.538 ( 4.073 -6.360 -8.474) 11.351 32.998 ( 9.121 0.572 6.614) 11.281 33.010 ( 9.042 -0.720 7.534) 11.791 33.319 ( 9.215 1.992 -2.805) 9.836 33.356 ( 8.512 -1.875 -1.153) 8.792 36.142 ( 1.722 2.453 8.930) 9.420 36.201 ( 2.478 -3.986 6.816) 8.276 36.391 ( 2.677 2.266 -2.930) 4.570 36.451 ( 2.987 -4.205 -4.320) 6.728 37.475 ( 5.995 8.029 3.336) 10.561 37.515 ( 7.010 4.788 -3.620) 9.228 38.090 ( 18.431 -4.125 4.389) 19.390 38.122 ( 18.872 -6.483 -4.693) 20.499 ======================= Grid point 142 (84/84) ======================= q-point: (-0.09 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 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 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -2.628 18.361 4.089) 18.993 1.488 ( -8.932 1.093 -10.566) 13.879 1.651 ( -5.259 -9.657 1.921) 11.163 1.675 ( -8.724 6.518 4.204) 11.674 1.714 ( -14.248 -2.913 2.646) 14.782 1.842 ( -7.562 -5.848 -2.193) 9.808 1.856 ( -6.101 3.022 2.403) 7.220 1.971 ( 0.251 -7.183 0.750) 7.226 2.136 ( -9.276 3.078 -6.599) 11.792 2.210 ( -10.062 -4.536 -2.770) 11.379 2.594 ( -5.121 -0.393 1.567) 5.370 2.618 ( -2.577 -2.200 0.365) 3.408 2.848 ( -11.541 4.156 6.944) 14.095 2.927 ( -14.139 -4.236 6.102) 15.971 3.093 ( -14.095 8.325 -1.460) 16.435 3.190 ( -21.227 -2.983 -6.858) 22.506 3.329 ( -8.506 14.384 11.351) 20.201 3.588 ( -2.917 -1.858 -7.611) 8.360 3.733 ( -4.054 -6.637 3.994) 8.743 3.808 ( -0.446 -3.516 -1.218) 3.748 4.202 ( 6.249 8.025 0.136) 10.172 4.358 ( 2.023 -3.282 -1.028) 3.990 4.387 ( 2.701 4.222 1.496) 5.230 4.518 ( 2.329 -6.454 -0.327) 6.869 4.663 ( 4.259 3.589 -0.389) 5.584 4.701 ( 3.387 0.307 -2.423) 4.176 4.834 ( 0.456 1.860 4.802) 5.170 4.917 ( -1.876 -4.322 4.796) 6.724 4.968 ( 5.982 6.328 0.159) 8.709 5.100 ( 3.720 -5.656 -2.391) 7.179 5.159 ( -2.570 2.526 -0.795) 3.690 5.247 ( -6.378 -4.553 1.294) 7.942 5.301 ( -0.056 -1.123 -2.528) 2.767 5.340 ( -1.031 -4.005 0.659) 4.188 5.516 ( -1.392 -0.317 0.761) 1.618 5.560 ( 2.415 -5.241 -0.686) 5.811 6.868 ( -1.589 6.212 1.417) 6.567 6.966 ( -2.635 -3.235 0.557) 4.209 7.016 ( -0.961 0.732 -0.148) 1.217 7.043 ( 0.883 -1.822 -3.806) 4.311 8.143 ( -4.356 2.641 -1.503) 5.311 8.215 ( -1.867 -4.110 0.046) 4.514 8.248 ( -6.627 1.782 0.599) 6.889 8.310 ( -4.386 -4.031 1.171) 6.071 8.527 ( -3.869 4.441 -0.194) 5.893 8.577 ( -2.522 -0.224 0.918) 2.693 8.639 ( -8.642 0.221 -0.829) 8.684 8.662 ( -7.576 -1.615 -0.624) 7.772 10.961 ( 0.655 2.042 1.668) 2.717 11.005 ( 0.207 -2.527 0.895) 2.689 11.034 ( 3.300 3.068 -0.879) 4.591 11.094 ( 2.773 -2.987 -1.310) 4.281 11.421 ( 8.033 1.484 -0.917) 8.221 11.458 ( 5.712 -2.514 -0.778) 6.289 11.577 ( 9.331 2.678 0.017) 9.708 11.618 ( 7.770 -1.711 -0.215) 7.959 12.511 ( -2.031 1.903 0.728) 2.877 12.543 ( -3.514 -1.501 1.161) 3.993 12.621 ( -2.994 2.352 -0.992) 3.934 12.640 ( -5.132 0.117 -0.731) 5.186 13.917 ( 0.939 2.939 -0.731) 3.171 13.981 ( 3.291 -3.460 -0.197) 4.779 14.093 ( -0.583 3.335 -0.041) 3.386 14.152 ( 2.617 -2.627 -0.106) 3.710 14.545 ( -13.727 4.644 2.142) 14.649 14.559 ( -12.477 2.300 0.021) 12.687 14.624 ( -14.806 0.098 -2.427) 15.004 14.725 ( -20.832 -8.684 -5.798) 23.303 16.233 ( -4.883 1.098 0.344) 5.017 16.255 ( -5.347 -0.846 -0.456) 5.433 16.278 ( -2.990 0.848 0.437) 3.139 16.301 ( -2.507 -1.317 -0.600) 2.895 17.217 ( 12.632 2.624 0.236) 12.904 17.241 ( 13.501 0.688 -1.335) 13.584 17.355 ( 14.661 2.858 0.413) 14.943 17.409 ( 13.421 -2.526 -0.439) 13.664 19.966 ( -3.244 1.376 -0.463) 3.554 20.009 ( -3.323 -3.099 -0.562) 4.578 20.270 ( -6.632 0.081 0.507) 6.652 20.281 ( -7.191 -1.142 0.581) 7.305 22.804 ( 3.044 6.147 -2.320) 7.241 22.808 ( -0.187 5.663 1.215) 5.795 22.889 ( 1.832 -3.432 -0.707) 3.954 22.904 ( 0.766 -4.180 0.081) 4.250 25.494 ( -22.073 1.660 1.221) 22.169 25.512 ( -22.900 0.207 1.668) 22.962 25.641 ( -29.956 0.953 -0.745) 29.981 25.715 ( -35.546 -6.911 -7.519) 36.984 29.620 ( 2.216 4.738 1.150) 5.355 29.690 ( 1.880 -2.620 1.203) 3.442 29.707 ( -0.016 4.431 -2.257) 4.972 29.773 ( -0.956 -2.671 -1.271) 3.109 31.107 ( -0.994 8.833 0.676) 8.914 31.170 ( 0.701 6.071 -5.780) 8.411 31.504 ( 2.571 1.759 0.030) 3.115 31.633 ( 4.820 -8.612 -12.787) 16.153 33.161 ( 6.094 -0.045 6.667) 9.033 33.165 ( 6.229 -0.341 6.347) 8.899 33.460 ( 4.734 1.301 -2.446) 5.485 33.481 ( 3.851 -0.919 -1.557) 4.254 36.181 ( 1.432 2.871 9.063) 9.615 36.250 ( 1.731 -4.363 5.208) 7.011 36.437 ( 1.889 1.202 -1.092) 2.491 36.495 ( 1.507 -4.765 -3.521) 6.114 37.586 ( 4.221 10.003 3.775) 11.494 37.640 ( 5.006 5.412 -3.074) 7.987 38.449 ( 14.898 -6.870 3.180) 16.711 38.479 ( 14.976 -8.863 -3.395) 17.730 =================== 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 3/29700 10.0 143.176 114.556 80.727 0.000 -24.115 0.000 3/29700 20.0 29.013 20.043 14.988 0.000 -2.297 0.000 3/29700 30.0 13.861 8.373 6.609 0.000 -0.771 0.000 3/29700 40.0 8.817 5.005 4.080 0.000 -0.373 0.000 3/29700 50.0 6.446 3.560 2.955 0.000 -0.221 0.000 3/29700 60.0 5.114 2.779 2.333 0.000 -0.150 0.000 3/29700 70.0 4.286 2.293 1.937 0.000 -0.111 0.000 3/29700 80.0 3.739 1.960 1.662 0.000 -0.087 0.000 3/29700 90.0 3.362 1.719 1.459 0.000 -0.072 0.000 3/29700 100.0 3.095 1.536 1.303 0.000 -0.061 0.000 3/29700 110.0 2.901 1.392 1.179 0.000 -0.053 0.000 3/29700 120.0 2.756 1.277 1.078 0.000 -0.047 0.000 3/29700 130.0 2.646 1.183 0.995 0.000 -0.042 0.000 3/29700 140.0 2.561 1.105 0.925 0.000 -0.038 0.000 3/29700 150.0 2.491 1.038 0.865 0.000 -0.035 0.000 3/29700 160.0 2.434 0.981 0.814 0.000 -0.032 0.000 3/29700 170.0 2.385 0.931 0.769 0.000 -0.030 0.000 3/29700 180.0 2.342 0.887 0.729 0.000 -0.028 0.000 3/29700 190.0 2.303 0.849 0.695 0.000 -0.026 0.000 3/29700 200.0 2.267 0.814 0.664 0.000 -0.024 0.000 3/29700 210.0 2.233 0.783 0.636 0.000 -0.023 0.000 3/29700 220.0 2.201 0.755 0.612 0.000 -0.022 0.000 3/29700 230.0 2.170 0.730 0.589 0.000 -0.020 0.000 3/29700 240.0 2.140 0.706 0.569 0.000 -0.019 0.000 3/29700 250.0 2.110 0.685 0.551 0.000 -0.018 0.000 3/29700 260.0 2.082 0.665 0.534 0.000 -0.017 0.000 3/29700 270.0 2.054 0.647 0.519 0.000 -0.017 0.000 3/29700 280.0 2.026 0.630 0.505 0.000 -0.016 0.000 3/29700 290.0 1.999 0.614 0.492 0.000 -0.015 0.000 3/29700 300.0 1.973 0.599 0.480 0.000 -0.015 0.000 3/29700 310.0 1.947 0.585 0.469 0.000 -0.014 0.000 3/29700 320.0 1.921 0.572 0.458 0.000 -0.013 0.000 3/29700 330.0 1.896 0.560 0.448 0.000 -0.013 0.000 3/29700 340.0 1.871 0.548 0.439 0.000 -0.012 0.000 3/29700 350.0 1.846 0.537 0.430 0.000 -0.012 0.000 3/29700 360.0 1.822 0.527 0.422 0.000 -0.011 0.000 3/29700 370.0 1.798 0.517 0.414 0.000 -0.011 0.000 3/29700 380.0 1.774 0.507 0.407 0.000 -0.011 0.000 3/29700 390.0 1.751 0.498 0.400 0.000 -0.010 0.000 3/29700 400.0 1.728 0.489 0.393 0.000 -0.010 0.000 3/29700 410.0 1.706 0.481 0.387 0.000 -0.010 0.000 3/29700 420.0 1.684 0.473 0.381 0.000 -0.009 0.000 3/29700 430.0 1.662 0.465 0.375 0.000 -0.009 0.000 3/29700 440.0 1.641 0.458 0.369 0.000 -0.009 0.000 3/29700 450.0 1.620 0.450 0.364 0.000 -0.008 0.000 3/29700 460.0 1.600 0.443 0.358 0.000 -0.008 0.000 3/29700 470.0 1.579 0.437 0.353 0.000 -0.008 0.000 3/29700 480.0 1.560 0.430 0.348 0.000 -0.008 0.000 3/29700 490.0 1.540 0.424 0.343 0.000 -0.007 0.000 3/29700 500.0 1.521 0.418 0.339 0.000 -0.007 0.000 3/29700 510.0 1.502 0.412 0.334 0.000 -0.007 0.000 3/29700 520.0 1.484 0.406 0.330 0.000 -0.007 0.000 3/29700 530.0 1.466 0.400 0.326 0.000 -0.007 0.000 3/29700 540.0 1.448 0.395 0.321 0.000 -0.006 0.000 3/29700 550.0 1.430 0.389 0.317 0.000 -0.006 0.000 3/29700 560.0 1.413 0.384 0.313 0.000 -0.006 0.000 3/29700 570.0 1.396 0.379 0.310 0.000 -0.006 0.000 3/29700 580.0 1.380 0.374 0.306 0.000 -0.006 0.000 3/29700 590.0 1.364 0.370 0.302 0.000 -0.006 0.000 3/29700 600.0 1.348 0.365 0.298 0.000 -0.006 0.000 3/29700 610.0 1.332 0.360 0.295 0.000 -0.005 0.000 3/29700 620.0 1.317 0.356 0.291 0.000 -0.005 0.000 3/29700 630.0 1.302 0.351 0.288 0.000 -0.005 0.000 3/29700 640.0 1.287 0.347 0.285 0.000 -0.005 0.000 3/29700 650.0 1.273 0.343 0.282 0.000 -0.005 0.000 3/29700 660.0 1.258 0.339 0.278 0.000 -0.005 0.000 3/29700 670.0 1.245 0.335 0.275 0.000 -0.005 0.000 3/29700 680.0 1.231 0.331 0.272 0.000 -0.005 0.000 3/29700 690.0 1.217 0.327 0.269 0.000 -0.005 0.000 3/29700 700.0 1.204 0.324 0.266 0.000 -0.004 0.000 3/29700 710.0 1.191 0.320 0.264 0.000 -0.004 0.000 3/29700 720.0 1.178 0.316 0.261 0.000 -0.004 0.000 3/29700 730.0 1.166 0.313 0.258 0.000 -0.004 0.000 3/29700 740.0 1.154 0.310 0.255 0.000 -0.004 0.000 3/29700 750.0 1.142 0.306 0.253 0.000 -0.004 0.000 3/29700 760.0 1.130 0.303 0.250 0.000 -0.004 0.000 3/29700 770.0 1.118 0.300 0.248 0.000 -0.004 0.000 3/29700 780.0 1.107 0.297 0.245 0.000 -0.004 0.000 3/29700 790.0 1.096 0.293 0.243 0.000 -0.004 0.000 3/29700 800.0 1.085 0.290 0.240 0.000 -0.004 0.000 3/29700 810.0 1.074 0.287 0.238 0.000 -0.004 0.000 3/29700 820.0 1.063 0.285 0.235 0.000 -0.004 0.000 3/29700 830.0 1.053 0.282 0.233 0.000 -0.004 0.000 3/29700 840.0 1.043 0.279 0.231 0.000 -0.003 0.000 3/29700 850.0 1.032 0.276 0.229 0.000 -0.003 0.000 3/29700 860.0 1.023 0.273 0.227 0.000 -0.003 0.000 3/29700 870.0 1.013 0.271 0.224 0.000 -0.003 0.000 3/29700 880.0 1.003 0.268 0.222 0.000 -0.003 0.000 3/29700 890.0 0.994 0.266 0.220 0.000 -0.003 0.000 3/29700 900.0 0.985 0.263 0.218 0.000 -0.003 0.000 3/29700 910.0 0.975 0.261 0.216 0.000 -0.003 0.000 3/29700 920.0 0.967 0.258 0.214 0.000 -0.003 0.000 3/29700 930.0 0.958 0.256 0.212 0.000 -0.003 0.000 3/29700 940.0 0.949 0.253 0.211 0.000 -0.003 0.000 3/29700 950.0 0.941 0.251 0.209 0.000 -0.003 0.000 3/29700 960.0 0.932 0.249 0.207 0.000 -0.003 0.000 3/29700 970.0 0.924 0.247 0.205 0.000 -0.003 0.000 3/29700 980.0 0.916 0.244 0.203 0.000 -0.003 0.000 3/29700 990.0 0.908 0.242 0.202 0.000 -0.003 0.000 3/29700 1000.0 0.900 0.240 0.200 0.000 -0.003 0.000 3/29700 Thermal conductivity related properties were written into "kappa-m1155.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:14:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|