----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:25:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.554358450061269 0.000000000000000 0.000000000000000 b 0.000000000000000 11.713586319999997 0.000000000000000 c -4.418512694711668 0.000000000000000 10.417745795153591 Atomic positions (fractional): *1 Re 0.30353506034576 0.98041718185425 0.05969817886772 186.207 *2 Re 0.96998037451872 0.93218199704225 0.84538028441874 186.207 *3 Re 0.02947665400184 0.14369591296818 0.93760494167217 186.207 4 Re 0.03001962548128 0.43218199704225 0.65461971558126 186.207 5 Re 0.69646493965424 0.01958281814575 0.94030182113228 186.207 6 Re 0.02947665400184 0.35630408703182 0.43760494167217 186.207 7 Re 0.97052334599816 0.85630408703182 0.06239505832783 186.207 8 Re 0.69646493965424 0.48041718185425 0.44030182113228 186.207 9 Re 0.30353506034576 0.51958281814575 0.55969817886772 186.207 10 Re 0.96998037451872 0.56781800295775 0.34538028441873 186.207 11 Re 0.97052334599816 0.64369591296818 0.56239505832783 186.207 12 Re 0.03001962548128 0.06781800295776 0.15461971558126 186.207 *13 Se 0.29260365433701 0.59128345887287 0.76620710736781 78.960 *14 Se 0.72768517201897 0.55901891306656 0.66583392697489 78.960 15 Se 0.70739634566299 0.09128345887287 0.73379289263219 78.960 *16 Se 0.35024724240342 0.18025812777852 0.14787249604918 78.960 17 Se 0.64975275759658 0.81974187222148 0.85212750395082 78.960 18 Se 0.64975275759658 0.68025812777852 0.35212750395082 78.960 *19 Se 0.23732558905390 0.71936942844858 0.47222475122183 78.960 20 Se 0.29260365433701 0.90871654112713 0.26620710736781 78.960 21 Se 0.76267441094610 0.21936942844858 0.02777524877817 78.960 22 Se 0.27231482798103 0.44098108693344 0.33416607302510 78.960 23 Se 0.27231482798103 0.05901891306656 0.83416607302511 78.960 24 Se 0.23732558905390 0.78063057155142 0.97222475122183 78.960 25 Se 0.35024724240342 0.31974187222148 0.64787249604918 78.960 26 Se 0.76267441094610 0.28063057155142 0.52777524877817 78.960 27 Se 0.70739634566299 0.40871654112713 0.23379289263219 78.960 28 Se 0.72768517201897 0.94098108693344 0.16583392697489 78.960 *29 Br 0.09029555342398 0.35272206361907 0.87979567549277 79.904 30 Br 0.90970444657602 0.85272206361907 0.62020432450723 79.904 31 Br 0.09029555342398 0.14727793638093 0.37979567549277 79.904 32 Br 0.90970444657602 0.64727793638093 0.12020432450723 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.554358450061269 0.000000000000000 0.000000000000000 b 0.000000000000000 11.713586319999997 0.000000000000000 c -4.418512694711668 0.000000000000000 10.417745795153591 Atomic positions (fractional): *1 Re 0.30353506034576 0.98041718185425 0.05969817886772 186.207 > 1 *2 Re 0.96998037451872 0.93218199704225 0.84538028441874 186.207 > 2 *3 Re 0.02947665400184 0.14369591296818 0.93760494167217 186.207 > 3 4 Re 0.03001962548128 0.43218199704225 0.65461971558126 186.207 > 4 5 Re 0.69646493965424 0.01958281814575 0.94030182113228 186.207 > 5 6 Re 0.02947665400184 0.35630408703182 0.43760494167217 186.207 > 6 7 Re 0.97052334599816 0.85630408703182 0.06239505832783 186.207 > 7 8 Re 0.69646493965424 0.48041718185425 0.44030182113228 186.207 > 8 9 Re 0.30353506034576 0.51958281814575 0.55969817886772 186.207 > 9 10 Re 0.96998037451872 0.56781800295775 0.34538028441873 186.207 > 10 11 Re 0.97052334599816 0.64369591296818 0.56239505832783 186.207 > 11 12 Re 0.03001962548128 0.06781800295776 0.15461971558126 186.207 > 12 *13 Se 0.29260365433701 0.59128345887287 0.76620710736781 78.960 > 13 *14 Se 0.72768517201897 0.55901891306656 0.66583392697489 78.960 > 14 15 Se 0.70739634566299 0.09128345887287 0.73379289263219 78.960 > 15 *16 Se 0.35024724240342 0.18025812777852 0.14787249604918 78.960 > 16 17 Se 0.64975275759658 0.81974187222148 0.85212750395082 78.960 > 17 18 Se 0.64975275759658 0.68025812777852 0.35212750395082 78.960 > 18 *19 Se 0.23732558905390 0.71936942844858 0.47222475122183 78.960 > 19 20 Se 0.29260365433701 0.90871654112713 0.26620710736781 78.960 > 20 21 Se 0.76267441094610 0.21936942844858 0.02777524877817 78.960 > 21 22 Se 0.27231482798103 0.44098108693344 0.33416607302510 78.960 > 22 23 Se 0.27231482798103 0.05901891306656 0.83416607302511 78.960 > 23 24 Se 0.23732558905390 0.78063057155142 0.97222475122183 78.960 > 24 25 Se 0.35024724240342 0.31974187222148 0.64787249604918 78.960 > 25 26 Se 0.76267441094610 0.28063057155142 0.52777524877817 78.960 > 26 27 Se 0.70739634566299 0.40871654112713 0.23379289263219 78.960 > 27 28 Se 0.72768517201897 0.94098108693344 0.16583392697489 78.960 > 28 *29 Br 0.09029555342398 0.35272206361907 0.87979567549277 79.904 > 29 30 Br 0.90970444657602 0.85272206361907 0.62020432450723 79.904 > 30 31 Br 0.09029555342398 0.14727793638093 0.37979567549277 79.904 > 31 32 Br 0.90970444657602 0.64727793638093 0.12020432450723 79.904 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.108716900122538 0.000000000000000 0.000000000000000 b 0.000000000000000 11.713586319999997 0.000000000000000 c -8.837025389423337 0.000000000000000 20.835491590307182 Atomic positions (fractional): *1 Re 0.15176753017288 0.98041718185425 0.02984908943386 186.207 > 1 2 Re 0.65176753017288 0.98041718185425 0.02984908943386 186.207 > 1 3 Re 0.15176753017288 0.98041718185425 0.52984908943386 186.207 > 1 4 Re 0.65176753017288 0.98041718185425 0.52984908943386 186.207 > 1 *5 Re 0.48499018725936 0.93218199704225 0.42269014220937 186.207 > 2 6 Re 0.98499018725936 0.93218199704225 0.42269014220937 186.207 > 2 7 Re 0.48499018725936 0.93218199704225 0.92269014220937 186.207 > 2 8 Re 0.98499018725936 0.93218199704225 0.92269014220937 186.207 > 2 *9 Re 0.01473832700092 0.14369591296818 0.46880247083608 186.207 > 3 10 Re 0.51473832700092 0.14369591296818 0.46880247083608 186.207 > 3 11 Re 0.01473832700092 0.14369591296818 0.96880247083608 186.207 > 3 12 Re 0.51473832700092 0.14369591296818 0.96880247083608 186.207 > 3 13 Re 0.01500981274064 0.43218199704225 0.32730985779063 186.207 > 4 14 Re 0.51500981274064 0.43218199704225 0.32730985779063 186.207 > 4 15 Re 0.01500981274064 0.43218199704225 0.82730985779063 186.207 > 4 16 Re 0.51500981274064 0.43218199704225 0.82730985779063 186.207 > 4 17 Re 0.34823246982712 0.01958281814575 0.47015091056614 186.207 > 5 18 Re 0.84823246982712 0.01958281814575 0.47015091056614 186.207 > 5 19 Re 0.34823246982712 0.01958281814575 0.97015091056614 186.207 > 5 20 Re 0.84823246982712 0.01958281814575 0.97015091056614 186.207 > 5 21 Re 0.01473832700092 0.35630408703182 0.21880247083608 186.207 > 6 22 Re 0.51473832700092 0.35630408703182 0.21880247083608 186.207 > 6 23 Re 0.01473832700092 0.35630408703182 0.71880247083608 186.207 > 6 24 Re 0.51473832700092 0.35630408703182 0.71880247083608 186.207 > 6 25 Re 0.48526167299908 0.85630408703182 0.03119752916392 186.207 > 7 26 Re 0.98526167299908 0.85630408703182 0.03119752916392 186.207 > 7 27 Re 0.48526167299908 0.85630408703182 0.53119752916392 186.207 > 7 28 Re 0.98526167299908 0.85630408703182 0.53119752916392 186.207 > 7 29 Re 0.34823246982712 0.48041718185425 0.22015091056614 186.207 > 8 30 Re 0.84823246982712 0.48041718185425 0.22015091056614 186.207 > 8 31 Re 0.34823246982712 0.48041718185425 0.72015091056614 186.207 > 8 32 Re 0.84823246982712 0.48041718185425 0.72015091056614 186.207 > 8 33 Re 0.15176753017288 0.51958281814575 0.27984908943386 186.207 > 9 34 Re 0.65176753017288 0.51958281814575 0.27984908943386 186.207 > 9 35 Re 0.15176753017288 0.51958281814575 0.77984908943386 186.207 > 9 36 Re 0.65176753017288 0.51958281814575 0.77984908943386 186.207 > 9 37 Re 0.48499018725936 0.56781800295775 0.17269014220937 186.207 > 10 38 Re 0.98499018725936 0.56781800295775 0.17269014220937 186.207 > 10 39 Re 0.48499018725936 0.56781800295775 0.67269014220937 186.207 > 10 40 Re 0.98499018725936 0.56781800295775 0.67269014220937 186.207 > 10 41 Re 0.48526167299908 0.64369591296818 0.28119752916392 186.207 > 11 42 Re 0.98526167299908 0.64369591296818 0.28119752916392 186.207 > 11 43 Re 0.48526167299908 0.64369591296818 0.78119752916392 186.207 > 11 44 Re 0.98526167299908 0.64369591296818 0.78119752916392 186.207 > 11 45 Re 0.01500981274064 0.06781800295776 0.07730985779063 186.207 > 12 46 Re 0.51500981274064 0.06781800295776 0.07730985779063 186.207 > 12 47 Re 0.01500981274064 0.06781800295776 0.57730985779063 186.207 > 12 48 Re 0.51500981274064 0.06781800295776 0.57730985779063 186.207 > 12 *49 Se 0.14630182716851 0.59128345887287 0.38310355368390 78.960 > 13 50 Se 0.64630182716851 0.59128345887287 0.38310355368390 78.960 > 13 51 Se 0.14630182716851 0.59128345887287 0.88310355368390 78.960 > 13 52 Se 0.64630182716851 0.59128345887287 0.88310355368390 78.960 > 13 *53 Se 0.36384258600949 0.55901891306656 0.33291696348745 78.960 > 14 54 Se 0.86384258600949 0.55901891306656 0.33291696348745 78.960 > 14 55 Se 0.36384258600949 0.55901891306656 0.83291696348745 78.960 > 14 56 Se 0.86384258600949 0.55901891306656 0.83291696348745 78.960 > 14 57 Se 0.35369817283150 0.09128345887287 0.36689644631610 78.960 > 15 58 Se 0.85369817283149 0.09128345887287 0.36689644631610 78.960 > 15 59 Se 0.35369817283150 0.09128345887287 0.86689644631610 78.960 > 15 60 Se 0.85369817283149 0.09128345887287 0.86689644631610 78.960 > 15 *61 Se 0.17512362120171 0.18025812777852 0.07393624802459 78.960 > 16 62 Se 0.67512362120171 0.18025812777852 0.07393624802459 78.960 > 16 63 Se 0.17512362120171 0.18025812777852 0.57393624802459 78.960 > 16 64 Se 0.67512362120171 0.18025812777852 0.57393624802459 78.960 > 16 65 Se 0.32487637879829 0.81974187222148 0.42606375197541 78.960 > 17 66 Se 0.82487637879829 0.81974187222148 0.42606375197541 78.960 > 17 67 Se 0.32487637879829 0.81974187222148 0.92606375197541 78.960 > 17 68 Se 0.82487637879829 0.81974187222148 0.92606375197541 78.960 > 17 69 Se 0.32487637879829 0.68025812777852 0.17606375197541 78.960 > 18 70 Se 0.82487637879829 0.68025812777852 0.17606375197541 78.960 > 18 71 Se 0.32487637879829 0.68025812777852 0.67606375197541 78.960 > 18 72 Se 0.82487637879829 0.68025812777852 0.67606375197541 78.960 > 18 *73 Se 0.11866279452695 0.71936942844858 0.23611237561092 78.960 > 19 74 Se 0.61866279452695 0.71936942844858 0.23611237561092 78.960 > 19 75 Se 0.11866279452695 0.71936942844858 0.73611237561092 78.960 > 19 76 Se 0.61866279452695 0.71936942844858 0.73611237561092 78.960 > 19 77 Se 0.14630182716851 0.90871654112713 0.13310355368390 78.960 > 20 78 Se 0.64630182716851 0.90871654112713 0.13310355368390 78.960 > 20 79 Se 0.14630182716851 0.90871654112713 0.63310355368390 78.960 > 20 80 Se 0.64630182716851 0.90871654112713 0.63310355368390 78.960 > 20 81 Se 0.38133720547305 0.21936942844858 0.01388762438908 78.960 > 21 82 Se 0.88133720547305 0.21936942844858 0.01388762438908 78.960 > 21 83 Se 0.38133720547305 0.21936942844858 0.51388762438908 78.960 > 21 84 Se 0.88133720547305 0.21936942844858 0.51388762438908 78.960 > 21 85 Se 0.13615741399051 0.44098108693344 0.16708303651255 78.960 > 22 86 Se 0.63615741399051 0.44098108693344 0.16708303651255 78.960 > 22 87 Se 0.13615741399051 0.44098108693344 0.66708303651255 78.960 > 22 88 Se 0.63615741399051 0.44098108693344 0.66708303651255 78.960 > 22 89 Se 0.13615741399051 0.05901891306656 0.41708303651255 78.960 > 23 90 Se 0.63615741399051 0.05901891306656 0.41708303651255 78.960 > 23 91 Se 0.13615741399051 0.05901891306656 0.91708303651255 78.960 > 23 92 Se 0.63615741399051 0.05901891306656 0.91708303651255 78.960 > 23 93 Se 0.11866279452695 0.78063057155142 0.48611237561092 78.960 > 24 94 Se 0.61866279452695 0.78063057155142 0.48611237561092 78.960 > 24 95 Se 0.11866279452695 0.78063057155142 0.98611237561092 78.960 > 24 96 Se 0.61866279452695 0.78063057155142 0.98611237561092 78.960 > 24 97 Se 0.17512362120171 0.31974187222148 0.32393624802459 78.960 > 25 98 Se 0.67512362120171 0.31974187222148 0.32393624802459 78.960 > 25 99 Se 0.17512362120171 0.31974187222148 0.82393624802459 78.960 > 25 100 Se 0.67512362120171 0.31974187222148 0.82393624802459 78.960 > 25 101 Se 0.38133720547305 0.28063057155142 0.26388762438908 78.960 > 26 102 Se 0.88133720547305 0.28063057155142 0.26388762438908 78.960 > 26 103 Se 0.38133720547305 0.28063057155142 0.76388762438908 78.960 > 26 104 Se 0.88133720547305 0.28063057155142 0.76388762438908 78.960 > 26 105 Se 0.35369817283150 0.40871654112713 0.11689644631610 78.960 > 27 106 Se 0.85369817283149 0.40871654112713 0.11689644631610 78.960 > 27 107 Se 0.35369817283150 0.40871654112713 0.61689644631610 78.960 > 27 108 Se 0.85369817283149 0.40871654112713 0.61689644631610 78.960 > 27 109 Se 0.36384258600949 0.94098108693344 0.08291696348745 78.960 > 28 110 Se 0.86384258600949 0.94098108693344 0.08291696348745 78.960 > 28 111 Se 0.36384258600949 0.94098108693344 0.58291696348745 78.960 > 28 112 Se 0.86384258600949 0.94098108693344 0.58291696348745 78.960 > 28 *113 Br 0.04514777671199 0.35272206361907 0.43989783774638 79.904 > 29 114 Br 0.54514777671199 0.35272206361907 0.43989783774638 79.904 > 29 115 Br 0.04514777671199 0.35272206361907 0.93989783774638 79.904 > 29 116 Br 0.54514777671199 0.35272206361907 0.93989783774638 79.904 > 29 117 Br 0.45485222328801 0.85272206361907 0.31010216225362 79.904 > 30 118 Br 0.95485222328801 0.85272206361907 0.31010216225362 79.904 > 30 119 Br 0.45485222328801 0.85272206361907 0.81010216225362 79.904 > 30 120 Br 0.95485222328801 0.85272206361907 0.81010216225362 79.904 > 30 121 Br 0.04514777671199 0.14727793638093 0.18989783774638 79.904 > 31 122 Br 0.54514777671199 0.14727793638093 0.18989783774638 79.904 > 31 123 Br 0.04514777671199 0.14727793638093 0.68989783774638 79.904 > 31 124 Br 0.54514777671199 0.14727793638093 0.68989783774638 79.904 > 31 125 Br 0.45485222328801 0.64727793638093 0.06010216225362 79.904 > 32 126 Br 0.95485222328801 0.64727793638093 0.06010216225362 79.904 > 32 127 Br 0.45485222328801 0.64727793638093 0.56010216225362 79.904 > 32 128 Br 0.95485222328801 0.64727793638093 0.56010216225362 79.904 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.5491809 0.0000000 -0.2250898 0.0000000 7.8394293 0.0000000 -0.2251791 0.0000000 7.0359172 -------------------------- Born effective charges -------------------------- 1 Re 0.3812809 -0.2697788 0.3369960 0.0572751 0.0283466 -0.5602250 -0.0089410 0.0566505 0.5516251 2 Re 0.2012178 0.9749001 0.1854161 0.0658688 0.0489381 0.9548660 0.1598617 0.4871589 0.9515381 3 Re 0.2942904 -0.7056826 -0.2801245 0.0331820 0.8918765 -0.1088566 -0.0538981 -1.1402196 -0.0409802 4 Re 0.2012178 -0.9749001 0.1854161 -0.0658688 0.0489381 -0.9548660 0.1598617 -0.4871589 0.9515381 5 Re 0.3812809 -0.2697788 0.3369960 0.0572751 0.0283466 -0.5602250 -0.0089410 0.0566505 0.5516251 6 Re 0.2942904 0.7056826 -0.2801245 -0.0331820 0.8918765 0.1088566 -0.0538981 1.1402196 -0.0409802 7 Re 0.2942904 -0.7056826 -0.2801245 0.0331820 0.8918765 -0.1088566 -0.0538981 -1.1402196 -0.0409802 8 Re 0.3812809 0.2697788 0.3369960 -0.0572751 0.0283466 0.5602250 -0.0089410 -0.0566505 0.5516251 9 Re 0.3812809 0.2697788 0.3369960 -0.0572751 0.0283466 0.5602250 -0.0089410 -0.0566505 0.5516251 10 Re 0.2012178 -0.9749001 0.1854161 -0.0658688 0.0489381 -0.9548660 0.1598617 -0.4871589 0.9515381 11 Re 0.2942904 0.7056826 -0.2801245 -0.0331820 0.8918765 0.1088566 -0.0538981 1.1402196 -0.0409802 12 Re 0.2012178 0.9749001 0.1854161 0.0658688 0.0489381 0.9548660 0.1598617 0.4871589 0.9515381 13 Se 0.0393469 -0.0770379 -0.1799843 0.0641714 0.1993792 -0.0758978 -0.0792635 0.0257585 -0.4494613 14 Se -0.7684955 -0.0175393 0.0667337 -0.0000174 0.4069439 -0.3473871 -0.0442893 -0.1686408 -0.4019679 15 Se 0.0393469 0.0770379 -0.1799843 -0.0641714 0.1993792 0.0758978 -0.0792635 -0.0257585 -0.4494613 16 Se -0.1912229 -0.5301009 -0.3510816 -0.2009543 -0.2734734 -0.1451740 -0.1884179 -0.1945083 -0.0776870 17 Se -0.1912229 -0.5301009 -0.3510816 -0.2009543 -0.2734734 -0.1451740 -0.1884179 -0.1945083 -0.0776870 18 Se -0.1912229 0.5301009 -0.3510816 0.2009543 -0.2734734 0.1451740 -0.1884179 0.1945083 -0.0776870 19 Se -0.1707884 -0.6457224 0.0429446 -0.2391259 -0.3933518 0.0120066 -0.1323120 -0.1106252 0.1689822 20 Se 0.0393469 0.0770379 -0.1799843 -0.0641714 0.1993792 0.0758978 -0.0792635 -0.0257585 -0.4494613 21 Se -0.1707884 0.6457224 0.0429446 0.2391259 -0.3933518 -0.0120066 -0.1323120 0.1106252 0.1689822 22 Se -0.7684955 -0.0175393 0.0667337 -0.0000174 0.4069439 -0.3473871 -0.0442893 -0.1686408 -0.4019679 23 Se -0.7684955 0.0175393 0.0667337 0.0000174 0.4069439 0.3473871 -0.0442893 0.1686408 -0.4019679 24 Se -0.1707884 0.6457224 0.0429446 0.2391259 -0.3933518 -0.0120066 -0.1323120 0.1106252 0.1689822 25 Se -0.1912229 0.5301009 -0.3510816 0.2009543 -0.2734734 0.1451740 -0.1884179 0.1945083 -0.0776870 26 Se -0.1707884 -0.6457224 0.0429446 -0.2391259 -0.3933518 0.0120066 -0.1323120 -0.1106252 0.1689822 27 Se 0.0393469 -0.0770379 -0.1799843 0.0641714 0.1993792 -0.0758978 -0.0792635 0.0257585 -0.4494613 28 Se -0.7684955 0.0175393 0.0667337 0.0000174 0.4069439 0.3473871 -0.0442893 0.1686408 -0.4019679 29 Br 0.2143707 -0.2481064 0.1791000 -0.3551331 -0.9086593 1.0510765 0.3472601 0.9906814 -0.7020489 30 Br 0.2143707 0.2481064 0.1791000 0.3551331 -0.9086593 -1.0510765 0.3472601 -0.9906814 -0.7020489 31 Br 0.2143707 0.2481064 0.1791000 0.3551331 -0.9086593 -1.0510765 0.3472601 -0.9906814 -0.7020489 32 Br 0.2143707 -0.2481064 0.1791000 -0.3551331 -0.9086593 1.0510765 0.3472601 0.9906814 -0.7020489 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 13), data: (524, 27) @ (27, 13) |-- (274, 261), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 13), data: (524, 27) @ (27, 13) |-- (274, 261), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.438 Solver_block: 200 / 960 - Time: 1.259 Solver_block: 300 / 960 - Time: 1.252 Solver_block: 400 / 960 - Time: 1.278 Solver_block: 500 / 960 - Time: 1.274 Solver_block: 600 / 960 - Time: 1.278 Solver_block: 700 / 960 - Time: 1.273 Solver_block: 800 / 960 - Time: 1.269 Solver_block: 900 / 960 - Time: 1.257 Solver_block: 960 / 960 - Time: 0.864 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.764 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 13), data: (524, 27) @ (27, 13) |-- (274, 261), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 13), data: (524, 27) @ (27, 13) |-- (274, 261), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:26:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:26:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.554358450061269 0.000000000000000 0.000000000000000 b 0.000000000000000 11.713586319999997 0.000000000000000 c -4.418512694711668 0.000000000000000 10.417745795153591 Atomic positions (fractional): 1 Re 0.30353506034576 0.98041718185425 0.05969817886772 186.207 2 Re 0.96998037451872 0.93218199704225 0.84538028441874 186.207 3 Re 0.02947665400184 0.14369591296818 0.93760494167217 186.207 4 Re 0.03001962548128 0.43218199704225 0.65461971558126 186.207 5 Re 0.69646493965424 0.01958281814575 0.94030182113228 186.207 6 Re 0.02947665400184 0.35630408703182 0.43760494167217 186.207 7 Re 0.97052334599816 0.85630408703182 0.06239505832783 186.207 8 Re 0.69646493965424 0.48041718185425 0.44030182113228 186.207 9 Re 0.30353506034576 0.51958281814575 0.55969817886772 186.207 10 Re 0.96998037451872 0.56781800295775 0.34538028441873 186.207 11 Re 0.97052334599816 0.64369591296818 0.56239505832783 186.207 12 Re 0.03001962548128 0.06781800295776 0.15461971558126 186.207 13 Se 0.29260365433701 0.59128345887287 0.76620710736781 78.960 14 Se 0.72768517201897 0.55901891306656 0.66583392697489 78.960 15 Se 0.70739634566299 0.09128345887287 0.73379289263219 78.960 16 Se 0.35024724240342 0.18025812777852 0.14787249604918 78.960 17 Se 0.64975275759658 0.81974187222148 0.85212750395082 78.960 18 Se 0.64975275759658 0.68025812777852 0.35212750395082 78.960 19 Se 0.23732558905390 0.71936942844858 0.47222475122183 78.960 20 Se 0.29260365433701 0.90871654112713 0.26620710736781 78.960 21 Se 0.76267441094610 0.21936942844858 0.02777524877817 78.960 22 Se 0.27231482798103 0.44098108693344 0.33416607302510 78.960 23 Se 0.27231482798103 0.05901891306656 0.83416607302511 78.960 24 Se 0.23732558905390 0.78063057155142 0.97222475122183 78.960 25 Se 0.35024724240342 0.31974187222148 0.64787249604918 78.960 26 Se 0.76267441094610 0.28063057155142 0.52777524877817 78.960 27 Se 0.70739634566299 0.40871654112713 0.23379289263219 78.960 28 Se 0.72768517201897 0.94098108693344 0.16583392697489 78.960 29 Br 0.09029555342398 0.35272206361907 0.87979567549277 79.904 30 Br 0.90970444657602 0.85272206361907 0.62020432450723 79.904 31 Br 0.09029555342398 0.14727793638093 0.37979567549277 79.904 32 Br 0.90970444657602 0.64727793638093 0.12020432450723 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.108716900122538 0.000000000000000 0.000000000000000 b 0.000000000000000 11.713586319999997 0.000000000000000 c -8.837025389423337 0.000000000000000 20.835491590307182 Atomic positions (fractional): 1 Re 0.15176753017288 0.98041718185425 0.02984908943386 186.207 > 1 2 Re 0.65176753017288 0.98041718185425 0.02984908943386 186.207 > 1 3 Re 0.15176753017288 0.98041718185425 0.52984908943386 186.207 > 1 4 Re 0.65176753017288 0.98041718185425 0.52984908943386 186.207 > 1 5 Re 0.48499018725936 0.93218199704225 0.42269014220937 186.207 > 5 6 Re 0.98499018725936 0.93218199704225 0.42269014220937 186.207 > 5 7 Re 0.48499018725936 0.93218199704225 0.92269014220937 186.207 > 5 8 Re 0.98499018725936 0.93218199704225 0.92269014220937 186.207 > 5 9 Re 0.01473832700092 0.14369591296818 0.46880247083608 186.207 > 9 10 Re 0.51473832700092 0.14369591296818 0.46880247083608 186.207 > 9 11 Re 0.01473832700092 0.14369591296818 0.96880247083608 186.207 > 9 12 Re 0.51473832700092 0.14369591296818 0.96880247083608 186.207 > 9 13 Re 0.01500981274064 0.43218199704225 0.32730985779063 186.207 > 13 14 Re 0.51500981274064 0.43218199704225 0.32730985779063 186.207 > 13 15 Re 0.01500981274064 0.43218199704225 0.82730985779063 186.207 > 13 16 Re 0.51500981274064 0.43218199704225 0.82730985779063 186.207 > 13 17 Re 0.34823246982712 0.01958281814575 0.47015091056614 186.207 > 17 18 Re 0.84823246982712 0.01958281814575 0.47015091056614 186.207 > 17 19 Re 0.34823246982712 0.01958281814575 0.97015091056614 186.207 > 17 20 Re 0.84823246982712 0.01958281814575 0.97015091056614 186.207 > 17 21 Re 0.01473832700092 0.35630408703182 0.21880247083608 186.207 > 21 22 Re 0.51473832700092 0.35630408703182 0.21880247083608 186.207 > 21 23 Re 0.01473832700092 0.35630408703182 0.71880247083608 186.207 > 21 24 Re 0.51473832700092 0.35630408703182 0.71880247083608 186.207 > 21 25 Re 0.48526167299908 0.85630408703182 0.03119752916392 186.207 > 25 26 Re 0.98526167299908 0.85630408703182 0.03119752916392 186.207 > 25 27 Re 0.48526167299908 0.85630408703182 0.53119752916392 186.207 > 25 28 Re 0.98526167299908 0.85630408703182 0.53119752916392 186.207 > 25 29 Re 0.34823246982712 0.48041718185425 0.22015091056614 186.207 > 29 30 Re 0.84823246982712 0.48041718185425 0.22015091056614 186.207 > 29 31 Re 0.34823246982712 0.48041718185425 0.72015091056614 186.207 > 29 32 Re 0.84823246982712 0.48041718185425 0.72015091056614 186.207 > 29 33 Re 0.15176753017288 0.51958281814575 0.27984908943386 186.207 > 33 34 Re 0.65176753017288 0.51958281814575 0.27984908943386 186.207 > 33 35 Re 0.15176753017288 0.51958281814575 0.77984908943386 186.207 > 33 36 Re 0.65176753017288 0.51958281814575 0.77984908943386 186.207 > 33 37 Re 0.48499018725936 0.56781800295775 0.17269014220937 186.207 > 37 38 Re 0.98499018725936 0.56781800295775 0.17269014220937 186.207 > 37 39 Re 0.48499018725936 0.56781800295775 0.67269014220937 186.207 > 37 40 Re 0.98499018725936 0.56781800295775 0.67269014220937 186.207 > 37 41 Re 0.48526167299908 0.64369591296818 0.28119752916392 186.207 > 41 42 Re 0.98526167299908 0.64369591296818 0.28119752916392 186.207 > 41 43 Re 0.48526167299908 0.64369591296818 0.78119752916392 186.207 > 41 44 Re 0.98526167299908 0.64369591296818 0.78119752916392 186.207 > 41 45 Re 0.01500981274064 0.06781800295776 0.07730985779063 186.207 > 45 46 Re 0.51500981274064 0.06781800295776 0.07730985779063 186.207 > 45 47 Re 0.01500981274064 0.06781800295776 0.57730985779063 186.207 > 45 48 Re 0.51500981274064 0.06781800295776 0.57730985779063 186.207 > 45 49 Se 0.14630182716851 0.59128345887287 0.38310355368390 78.960 > 49 50 Se 0.64630182716851 0.59128345887287 0.38310355368390 78.960 > 49 51 Se 0.14630182716851 0.59128345887287 0.88310355368390 78.960 > 49 52 Se 0.64630182716851 0.59128345887287 0.88310355368390 78.960 > 49 53 Se 0.36384258600949 0.55901891306656 0.33291696348745 78.960 > 53 54 Se 0.86384258600949 0.55901891306656 0.33291696348745 78.960 > 53 55 Se 0.36384258600949 0.55901891306656 0.83291696348745 78.960 > 53 56 Se 0.86384258600949 0.55901891306656 0.83291696348745 78.960 > 53 57 Se 0.35369817283150 0.09128345887287 0.36689644631610 78.960 > 57 58 Se 0.85369817283149 0.09128345887287 0.36689644631610 78.960 > 57 59 Se 0.35369817283150 0.09128345887287 0.86689644631610 78.960 > 57 60 Se 0.85369817283149 0.09128345887287 0.86689644631610 78.960 > 57 61 Se 0.17512362120171 0.18025812777852 0.07393624802459 78.960 > 61 62 Se 0.67512362120171 0.18025812777852 0.07393624802459 78.960 > 61 63 Se 0.17512362120171 0.18025812777852 0.57393624802459 78.960 > 61 64 Se 0.67512362120171 0.18025812777852 0.57393624802459 78.960 > 61 65 Se 0.32487637879829 0.81974187222148 0.42606375197541 78.960 > 65 66 Se 0.82487637879829 0.81974187222148 0.42606375197541 78.960 > 65 67 Se 0.32487637879829 0.81974187222148 0.92606375197541 78.960 > 65 68 Se 0.82487637879829 0.81974187222148 0.92606375197541 78.960 > 65 69 Se 0.32487637879829 0.68025812777852 0.17606375197541 78.960 > 69 70 Se 0.82487637879829 0.68025812777852 0.17606375197541 78.960 > 69 71 Se 0.32487637879829 0.68025812777852 0.67606375197541 78.960 > 69 72 Se 0.82487637879829 0.68025812777852 0.67606375197541 78.960 > 69 73 Se 0.11866279452695 0.71936942844858 0.23611237561092 78.960 > 73 74 Se 0.61866279452695 0.71936942844858 0.23611237561092 78.960 > 73 75 Se 0.11866279452695 0.71936942844858 0.73611237561092 78.960 > 73 76 Se 0.61866279452695 0.71936942844858 0.73611237561092 78.960 > 73 77 Se 0.14630182716851 0.90871654112713 0.13310355368390 78.960 > 77 78 Se 0.64630182716851 0.90871654112713 0.13310355368390 78.960 > 77 79 Se 0.14630182716851 0.90871654112713 0.63310355368390 78.960 > 77 80 Se 0.64630182716851 0.90871654112713 0.63310355368390 78.960 > 77 81 Se 0.38133720547305 0.21936942844858 0.01388762438908 78.960 > 81 82 Se 0.88133720547305 0.21936942844858 0.01388762438908 78.960 > 81 83 Se 0.38133720547305 0.21936942844858 0.51388762438908 78.960 > 81 84 Se 0.88133720547305 0.21936942844858 0.51388762438908 78.960 > 81 85 Se 0.13615741399051 0.44098108693344 0.16708303651255 78.960 > 85 86 Se 0.63615741399051 0.44098108693344 0.16708303651255 78.960 > 85 87 Se 0.13615741399051 0.44098108693344 0.66708303651255 78.960 > 85 88 Se 0.63615741399051 0.44098108693344 0.66708303651255 78.960 > 85 89 Se 0.13615741399051 0.05901891306656 0.41708303651255 78.960 > 89 90 Se 0.63615741399051 0.05901891306656 0.41708303651255 78.960 > 89 91 Se 0.13615741399051 0.05901891306656 0.91708303651255 78.960 > 89 92 Se 0.63615741399051 0.05901891306656 0.91708303651255 78.960 > 89 93 Se 0.11866279452695 0.78063057155142 0.48611237561092 78.960 > 93 94 Se 0.61866279452695 0.78063057155142 0.48611237561092 78.960 > 93 95 Se 0.11866279452695 0.78063057155142 0.98611237561092 78.960 > 93 96 Se 0.61866279452695 0.78063057155142 0.98611237561092 78.960 > 93 97 Se 0.17512362120171 0.31974187222148 0.32393624802459 78.960 > 97 98 Se 0.67512362120171 0.31974187222148 0.32393624802459 78.960 > 97 99 Se 0.17512362120171 0.31974187222148 0.82393624802459 78.960 > 97 100 Se 0.67512362120171 0.31974187222148 0.82393624802459 78.960 > 97 101 Se 0.38133720547305 0.28063057155142 0.26388762438908 78.960 > 101 102 Se 0.88133720547305 0.28063057155142 0.26388762438908 78.960 > 101 103 Se 0.38133720547305 0.28063057155142 0.76388762438908 78.960 > 101 104 Se 0.88133720547305 0.28063057155142 0.76388762438908 78.960 > 101 105 Se 0.35369817283150 0.40871654112713 0.11689644631610 78.960 > 105 106 Se 0.85369817283149 0.40871654112713 0.11689644631610 78.960 > 105 107 Se 0.35369817283150 0.40871654112713 0.61689644631610 78.960 > 105 108 Se 0.85369817283149 0.40871654112713 0.61689644631610 78.960 > 105 109 Se 0.36384258600949 0.94098108693344 0.08291696348745 78.960 > 109 110 Se 0.86384258600949 0.94098108693344 0.08291696348745 78.960 > 109 111 Se 0.36384258600949 0.94098108693344 0.58291696348745 78.960 > 109 112 Se 0.86384258600949 0.94098108693344 0.58291696348745 78.960 > 109 113 Br 0.04514777671199 0.35272206361907 0.43989783774638 79.904 > 113 114 Br 0.54514777671199 0.35272206361907 0.43989783774638 79.904 > 113 115 Br 0.04514777671199 0.35272206361907 0.93989783774638 79.904 > 113 116 Br 0.54514777671199 0.35272206361907 0.93989783774638 79.904 > 113 117 Br 0.45485222328801 0.85272206361907 0.31010216225362 79.904 > 117 118 Br 0.95485222328801 0.85272206361907 0.31010216225362 79.904 > 117 119 Br 0.45485222328801 0.85272206361907 0.81010216225362 79.904 > 117 120 Br 0.95485222328801 0.85272206361907 0.81010216225362 79.904 > 117 121 Br 0.04514777671199 0.14727793638093 0.18989783774638 79.904 > 121 122 Br 0.54514777671199 0.14727793638093 0.18989783774638 79.904 > 121 123 Br 0.04514777671199 0.14727793638093 0.68989783774638 79.904 > 121 124 Br 0.54514777671199 0.14727793638093 0.68989783774638 79.904 > 121 125 Br 0.45485222328801 0.64727793638093 0.06010216225362 79.904 > 125 126 Br 0.95485222328801 0.64727793638093 0.06010216225362 79.904 > 125 127 Br 0.45485222328801 0.64727793638093 0.56010216225362 79.904 > 125 128 Br 0.95485222328801 0.64727793638093 0.56010216225362 79.904 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.5491809 0.0000000 -0.2250898 0.0000000 7.8394293 0.0000000 -0.2251791 0.0000000 7.0359172 -------------------------- Born effective charges -------------------------- 1 Re 0.3812809 -0.2697788 0.3369960 0.0572751 0.0283466 -0.5602250 -0.0089410 0.0566505 0.5516251 2 Re 0.2012178 0.9749001 0.1854161 0.0658688 0.0489381 0.9548660 0.1598617 0.4871589 0.9515381 3 Re 0.2942904 -0.7056826 -0.2801245 0.0331820 0.8918765 -0.1088566 -0.0538981 -1.1402196 -0.0409802 4 Re 0.2012178 -0.9749001 0.1854161 -0.0658688 0.0489381 -0.9548660 0.1598617 -0.4871589 0.9515381 5 Re 0.3812809 -0.2697788 0.3369960 0.0572751 0.0283466 -0.5602250 -0.0089410 0.0566505 0.5516251 6 Re 0.2942904 0.7056826 -0.2801245 -0.0331820 0.8918765 0.1088566 -0.0538981 1.1402196 -0.0409802 7 Re 0.2942904 -0.7056826 -0.2801245 0.0331820 0.8918765 -0.1088566 -0.0538981 -1.1402196 -0.0409802 8 Re 0.3812809 0.2697788 0.3369960 -0.0572751 0.0283466 0.5602250 -0.0089410 -0.0566505 0.5516251 9 Re 0.3812809 0.2697788 0.3369960 -0.0572751 0.0283466 0.5602250 -0.0089410 -0.0566505 0.5516251 10 Re 0.2012178 -0.9749001 0.1854161 -0.0658688 0.0489381 -0.9548660 0.1598617 -0.4871589 0.9515381 11 Re 0.2942904 0.7056826 -0.2801245 -0.0331820 0.8918765 0.1088566 -0.0538981 1.1402196 -0.0409802 12 Re 0.2012178 0.9749001 0.1854161 0.0658688 0.0489381 0.9548660 0.1598617 0.4871589 0.9515381 13 Se 0.0393469 -0.0770379 -0.1799843 0.0641714 0.1993792 -0.0758978 -0.0792635 0.0257585 -0.4494613 14 Se -0.7684955 -0.0175393 0.0667337 -0.0000174 0.4069439 -0.3473871 -0.0442893 -0.1686408 -0.4019679 15 Se 0.0393469 0.0770379 -0.1799843 -0.0641714 0.1993792 0.0758978 -0.0792635 -0.0257585 -0.4494613 16 Se -0.1912229 -0.5301009 -0.3510816 -0.2009543 -0.2734734 -0.1451740 -0.1884179 -0.1945083 -0.0776870 17 Se -0.1912229 -0.5301009 -0.3510816 -0.2009543 -0.2734734 -0.1451740 -0.1884179 -0.1945083 -0.0776870 18 Se -0.1912229 0.5301009 -0.3510816 0.2009543 -0.2734734 0.1451740 -0.1884179 0.1945083 -0.0776870 19 Se -0.1707884 -0.6457224 0.0429446 -0.2391259 -0.3933518 0.0120066 -0.1323120 -0.1106252 0.1689822 20 Se 0.0393469 0.0770379 -0.1799843 -0.0641714 0.1993792 0.0758978 -0.0792635 -0.0257585 -0.4494613 21 Se -0.1707884 0.6457224 0.0429446 0.2391259 -0.3933518 -0.0120066 -0.1323120 0.1106252 0.1689822 22 Se -0.7684955 -0.0175393 0.0667337 -0.0000174 0.4069439 -0.3473871 -0.0442893 -0.1686408 -0.4019679 23 Se -0.7684955 0.0175393 0.0667337 0.0000174 0.4069439 0.3473871 -0.0442893 0.1686408 -0.4019679 24 Se -0.1707884 0.6457224 0.0429446 0.2391259 -0.3933518 -0.0120066 -0.1323120 0.1106252 0.1689822 25 Se -0.1912229 0.5301009 -0.3510816 0.2009543 -0.2734734 0.1451740 -0.1884179 0.1945083 -0.0776870 26 Se -0.1707884 -0.6457224 0.0429446 -0.2391259 -0.3933518 0.0120066 -0.1323120 -0.1106252 0.1689822 27 Se 0.0393469 -0.0770379 -0.1799843 0.0641714 0.1993792 -0.0758978 -0.0792635 0.0257585 -0.4494613 28 Se -0.7684955 0.0175393 0.0667337 0.0000174 0.4069439 0.3473871 -0.0442893 0.1686408 -0.4019679 29 Br 0.2143707 -0.2481064 0.1791000 -0.3551331 -0.9086593 1.0510765 0.3472601 0.9906814 -0.7020489 30 Br 0.2143707 0.2481064 0.1791000 0.3551331 -0.9086593 -1.0510765 0.3472601 -0.9906814 -0.7020489 31 Br 0.2143707 0.2481064 0.1791000 0.3551331 -0.9086593 -1.0510765 0.3472601 -0.9906814 -0.7020489 32 Br 0.2143707 -0.2481064 0.1791000 -0.3551331 -0.9086593 1.0510765 0.3472601 0.9906814 -0.7020489 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 5, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 9, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 113, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) 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 20:27:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:27:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.554358450061269 0.000000000000000 0.000000000000000 b 0.000000000000000 11.713586319999997 0.000000000000000 c -4.418512694711668 0.000000000000000 10.417745795153591 Atomic positions (fractional): 1 Re 0.30353506034576 0.98041718185425 0.05969817886772 186.207 2 Re 0.96998037451872 0.93218199704225 0.84538028441874 186.207 3 Re 0.02947665400184 0.14369591296818 0.93760494167217 186.207 4 Re 0.03001962548128 0.43218199704225 0.65461971558126 186.207 5 Re 0.69646493965424 0.01958281814575 0.94030182113228 186.207 6 Re 0.02947665400184 0.35630408703182 0.43760494167217 186.207 7 Re 0.97052334599816 0.85630408703182 0.06239505832783 186.207 8 Re 0.69646493965424 0.48041718185425 0.44030182113228 186.207 9 Re 0.30353506034576 0.51958281814575 0.55969817886772 186.207 10 Re 0.96998037451872 0.56781800295775 0.34538028441873 186.207 11 Re 0.97052334599816 0.64369591296818 0.56239505832783 186.207 12 Re 0.03001962548128 0.06781800295776 0.15461971558126 186.207 13 Se 0.29260365433701 0.59128345887287 0.76620710736781 78.960 14 Se 0.72768517201897 0.55901891306656 0.66583392697489 78.960 15 Se 0.70739634566299 0.09128345887287 0.73379289263219 78.960 16 Se 0.35024724240342 0.18025812777852 0.14787249604918 78.960 17 Se 0.64975275759658 0.81974187222148 0.85212750395082 78.960 18 Se 0.64975275759658 0.68025812777852 0.35212750395082 78.960 19 Se 0.23732558905390 0.71936942844858 0.47222475122183 78.960 20 Se 0.29260365433701 0.90871654112713 0.26620710736781 78.960 21 Se 0.76267441094610 0.21936942844858 0.02777524877817 78.960 22 Se 0.27231482798103 0.44098108693344 0.33416607302510 78.960 23 Se 0.27231482798103 0.05901891306656 0.83416607302511 78.960 24 Se 0.23732558905390 0.78063057155142 0.97222475122183 78.960 25 Se 0.35024724240342 0.31974187222148 0.64787249604918 78.960 26 Se 0.76267441094610 0.28063057155142 0.52777524877817 78.960 27 Se 0.70739634566299 0.40871654112713 0.23379289263219 78.960 28 Se 0.72768517201897 0.94098108693344 0.16583392697489 78.960 29 Br 0.09029555342398 0.35272206361907 0.87979567549277 79.904 30 Br 0.90970444657602 0.85272206361907 0.62020432450723 79.904 31 Br 0.09029555342398 0.14727793638093 0.37979567549277 79.904 32 Br 0.90970444657602 0.64727793638093 0.12020432450723 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.108716900122538 0.000000000000000 0.000000000000000 b 0.000000000000000 11.713586319999997 0.000000000000000 c -8.837025389423337 0.000000000000000 20.835491590307182 Atomic positions (fractional): 1 Re 0.15176753017288 0.98041718185425 0.02984908943386 186.207 > 1 2 Re 0.65176753017288 0.98041718185425 0.02984908943386 186.207 > 1 3 Re 0.15176753017288 0.98041718185425 0.52984908943386 186.207 > 1 4 Re 0.65176753017288 0.98041718185425 0.52984908943386 186.207 > 1 5 Re 0.48499018725936 0.93218199704225 0.42269014220937 186.207 > 5 6 Re 0.98499018725936 0.93218199704225 0.42269014220937 186.207 > 5 7 Re 0.48499018725936 0.93218199704225 0.92269014220937 186.207 > 5 8 Re 0.98499018725936 0.93218199704225 0.92269014220937 186.207 > 5 9 Re 0.01473832700092 0.14369591296818 0.46880247083608 186.207 > 9 10 Re 0.51473832700092 0.14369591296818 0.46880247083608 186.207 > 9 11 Re 0.01473832700092 0.14369591296818 0.96880247083608 186.207 > 9 12 Re 0.51473832700092 0.14369591296818 0.96880247083608 186.207 > 9 13 Re 0.01500981274064 0.43218199704225 0.32730985779063 186.207 > 13 14 Re 0.51500981274064 0.43218199704225 0.32730985779063 186.207 > 13 15 Re 0.01500981274064 0.43218199704225 0.82730985779063 186.207 > 13 16 Re 0.51500981274064 0.43218199704225 0.82730985779063 186.207 > 13 17 Re 0.34823246982712 0.01958281814575 0.47015091056614 186.207 > 17 18 Re 0.84823246982712 0.01958281814575 0.47015091056614 186.207 > 17 19 Re 0.34823246982712 0.01958281814575 0.97015091056614 186.207 > 17 20 Re 0.84823246982712 0.01958281814575 0.97015091056614 186.207 > 17 21 Re 0.01473832700092 0.35630408703182 0.21880247083608 186.207 > 21 22 Re 0.51473832700092 0.35630408703182 0.21880247083608 186.207 > 21 23 Re 0.01473832700092 0.35630408703182 0.71880247083608 186.207 > 21 24 Re 0.51473832700092 0.35630408703182 0.71880247083608 186.207 > 21 25 Re 0.48526167299908 0.85630408703182 0.03119752916392 186.207 > 25 26 Re 0.98526167299908 0.85630408703182 0.03119752916392 186.207 > 25 27 Re 0.48526167299908 0.85630408703182 0.53119752916392 186.207 > 25 28 Re 0.98526167299908 0.85630408703182 0.53119752916392 186.207 > 25 29 Re 0.34823246982712 0.48041718185425 0.22015091056614 186.207 > 29 30 Re 0.84823246982712 0.48041718185425 0.22015091056614 186.207 > 29 31 Re 0.34823246982712 0.48041718185425 0.72015091056614 186.207 > 29 32 Re 0.84823246982712 0.48041718185425 0.72015091056614 186.207 > 29 33 Re 0.15176753017288 0.51958281814575 0.27984908943386 186.207 > 33 34 Re 0.65176753017288 0.51958281814575 0.27984908943386 186.207 > 33 35 Re 0.15176753017288 0.51958281814575 0.77984908943386 186.207 > 33 36 Re 0.65176753017288 0.51958281814575 0.77984908943386 186.207 > 33 37 Re 0.48499018725936 0.56781800295775 0.17269014220937 186.207 > 37 38 Re 0.98499018725936 0.56781800295775 0.17269014220937 186.207 > 37 39 Re 0.48499018725936 0.56781800295775 0.67269014220937 186.207 > 37 40 Re 0.98499018725936 0.56781800295775 0.67269014220937 186.207 > 37 41 Re 0.48526167299908 0.64369591296818 0.28119752916392 186.207 > 41 42 Re 0.98526167299908 0.64369591296818 0.28119752916392 186.207 > 41 43 Re 0.48526167299908 0.64369591296818 0.78119752916392 186.207 > 41 44 Re 0.98526167299908 0.64369591296818 0.78119752916392 186.207 > 41 45 Re 0.01500981274064 0.06781800295776 0.07730985779063 186.207 > 45 46 Re 0.51500981274064 0.06781800295776 0.07730985779063 186.207 > 45 47 Re 0.01500981274064 0.06781800295776 0.57730985779063 186.207 > 45 48 Re 0.51500981274064 0.06781800295776 0.57730985779063 186.207 > 45 49 Se 0.14630182716851 0.59128345887287 0.38310355368390 78.960 > 49 50 Se 0.64630182716851 0.59128345887287 0.38310355368390 78.960 > 49 51 Se 0.14630182716851 0.59128345887287 0.88310355368390 78.960 > 49 52 Se 0.64630182716851 0.59128345887287 0.88310355368390 78.960 > 49 53 Se 0.36384258600949 0.55901891306656 0.33291696348745 78.960 > 53 54 Se 0.86384258600949 0.55901891306656 0.33291696348745 78.960 > 53 55 Se 0.36384258600949 0.55901891306656 0.83291696348745 78.960 > 53 56 Se 0.86384258600949 0.55901891306656 0.83291696348745 78.960 > 53 57 Se 0.35369817283150 0.09128345887287 0.36689644631610 78.960 > 57 58 Se 0.85369817283149 0.09128345887287 0.36689644631610 78.960 > 57 59 Se 0.35369817283150 0.09128345887287 0.86689644631610 78.960 > 57 60 Se 0.85369817283149 0.09128345887287 0.86689644631610 78.960 > 57 61 Se 0.17512362120171 0.18025812777852 0.07393624802459 78.960 > 61 62 Se 0.67512362120171 0.18025812777852 0.07393624802459 78.960 > 61 63 Se 0.17512362120171 0.18025812777852 0.57393624802459 78.960 > 61 64 Se 0.67512362120171 0.18025812777852 0.57393624802459 78.960 > 61 65 Se 0.32487637879829 0.81974187222148 0.42606375197541 78.960 > 65 66 Se 0.82487637879829 0.81974187222148 0.42606375197541 78.960 > 65 67 Se 0.32487637879829 0.81974187222148 0.92606375197541 78.960 > 65 68 Se 0.82487637879829 0.81974187222148 0.92606375197541 78.960 > 65 69 Se 0.32487637879829 0.68025812777852 0.17606375197541 78.960 > 69 70 Se 0.82487637879829 0.68025812777852 0.17606375197541 78.960 > 69 71 Se 0.32487637879829 0.68025812777852 0.67606375197541 78.960 > 69 72 Se 0.82487637879829 0.68025812777852 0.67606375197541 78.960 > 69 73 Se 0.11866279452695 0.71936942844858 0.23611237561092 78.960 > 73 74 Se 0.61866279452695 0.71936942844858 0.23611237561092 78.960 > 73 75 Se 0.11866279452695 0.71936942844858 0.73611237561092 78.960 > 73 76 Se 0.61866279452695 0.71936942844858 0.73611237561092 78.960 > 73 77 Se 0.14630182716851 0.90871654112713 0.13310355368390 78.960 > 77 78 Se 0.64630182716851 0.90871654112713 0.13310355368390 78.960 > 77 79 Se 0.14630182716851 0.90871654112713 0.63310355368390 78.960 > 77 80 Se 0.64630182716851 0.90871654112713 0.63310355368390 78.960 > 77 81 Se 0.38133720547305 0.21936942844858 0.01388762438908 78.960 > 81 82 Se 0.88133720547305 0.21936942844858 0.01388762438908 78.960 > 81 83 Se 0.38133720547305 0.21936942844858 0.51388762438908 78.960 > 81 84 Se 0.88133720547305 0.21936942844858 0.51388762438908 78.960 > 81 85 Se 0.13615741399051 0.44098108693344 0.16708303651255 78.960 > 85 86 Se 0.63615741399051 0.44098108693344 0.16708303651255 78.960 > 85 87 Se 0.13615741399051 0.44098108693344 0.66708303651255 78.960 > 85 88 Se 0.63615741399051 0.44098108693344 0.66708303651255 78.960 > 85 89 Se 0.13615741399051 0.05901891306656 0.41708303651255 78.960 > 89 90 Se 0.63615741399051 0.05901891306656 0.41708303651255 78.960 > 89 91 Se 0.13615741399051 0.05901891306656 0.91708303651255 78.960 > 89 92 Se 0.63615741399051 0.05901891306656 0.91708303651255 78.960 > 89 93 Se 0.11866279452695 0.78063057155142 0.48611237561092 78.960 > 93 94 Se 0.61866279452695 0.78063057155142 0.48611237561092 78.960 > 93 95 Se 0.11866279452695 0.78063057155142 0.98611237561092 78.960 > 93 96 Se 0.61866279452695 0.78063057155142 0.98611237561092 78.960 > 93 97 Se 0.17512362120171 0.31974187222148 0.32393624802459 78.960 > 97 98 Se 0.67512362120171 0.31974187222148 0.32393624802459 78.960 > 97 99 Se 0.17512362120171 0.31974187222148 0.82393624802459 78.960 > 97 100 Se 0.67512362120171 0.31974187222148 0.82393624802459 78.960 > 97 101 Se 0.38133720547305 0.28063057155142 0.26388762438908 78.960 > 101 102 Se 0.88133720547305 0.28063057155142 0.26388762438908 78.960 > 101 103 Se 0.38133720547305 0.28063057155142 0.76388762438908 78.960 > 101 104 Se 0.88133720547305 0.28063057155142 0.76388762438908 78.960 > 101 105 Se 0.35369817283150 0.40871654112713 0.11689644631610 78.960 > 105 106 Se 0.85369817283149 0.40871654112713 0.11689644631610 78.960 > 105 107 Se 0.35369817283150 0.40871654112713 0.61689644631610 78.960 > 105 108 Se 0.85369817283149 0.40871654112713 0.61689644631610 78.960 > 105 109 Se 0.36384258600949 0.94098108693344 0.08291696348745 78.960 > 109 110 Se 0.86384258600949 0.94098108693344 0.08291696348745 78.960 > 109 111 Se 0.36384258600949 0.94098108693344 0.58291696348745 78.960 > 109 112 Se 0.86384258600949 0.94098108693344 0.58291696348745 78.960 > 109 113 Br 0.04514777671199 0.35272206361907 0.43989783774638 79.904 > 113 114 Br 0.54514777671199 0.35272206361907 0.43989783774638 79.904 > 113 115 Br 0.04514777671199 0.35272206361907 0.93989783774638 79.904 > 113 116 Br 0.54514777671199 0.35272206361907 0.93989783774638 79.904 > 113 117 Br 0.45485222328801 0.85272206361907 0.31010216225362 79.904 > 117 118 Br 0.95485222328801 0.85272206361907 0.31010216225362 79.904 > 117 119 Br 0.45485222328801 0.85272206361907 0.81010216225362 79.904 > 117 120 Br 0.95485222328801 0.85272206361907 0.81010216225362 79.904 > 117 121 Br 0.04514777671199 0.14727793638093 0.18989783774638 79.904 > 121 122 Br 0.54514777671199 0.14727793638093 0.18989783774638 79.904 > 121 123 Br 0.04514777671199 0.14727793638093 0.68989783774638 79.904 > 121 124 Br 0.54514777671199 0.14727793638093 0.68989783774638 79.904 > 121 125 Br 0.45485222328801 0.64727793638093 0.06010216225362 79.904 > 125 126 Br 0.95485222328801 0.64727793638093 0.06010216225362 79.904 > 125 127 Br 0.45485222328801 0.64727793638093 0.56010216225362 79.904 > 125 128 Br 0.95485222328801 0.64727793638093 0.56010216225362 79.904 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.5491809 0.0000000 -0.2250898 0.0000000 7.8394293 0.0000000 -0.2251791 0.0000000 7.0359172 -------------------------- Born effective charges -------------------------- 1 Re 0.3812809 -0.2697788 0.3369960 0.0572751 0.0283466 -0.5602250 -0.0089410 0.0566505 0.5516251 2 Re 0.2012178 0.9749001 0.1854161 0.0658688 0.0489381 0.9548660 0.1598617 0.4871589 0.9515381 3 Re 0.2942904 -0.7056826 -0.2801245 0.0331820 0.8918765 -0.1088566 -0.0538981 -1.1402196 -0.0409802 4 Re 0.2012178 -0.9749001 0.1854161 -0.0658688 0.0489381 -0.9548660 0.1598617 -0.4871589 0.9515381 5 Re 0.3812809 -0.2697788 0.3369960 0.0572751 0.0283466 -0.5602250 -0.0089410 0.0566505 0.5516251 6 Re 0.2942904 0.7056826 -0.2801245 -0.0331820 0.8918765 0.1088566 -0.0538981 1.1402196 -0.0409802 7 Re 0.2942904 -0.7056826 -0.2801245 0.0331820 0.8918765 -0.1088566 -0.0538981 -1.1402196 -0.0409802 8 Re 0.3812809 0.2697788 0.3369960 -0.0572751 0.0283466 0.5602250 -0.0089410 -0.0566505 0.5516251 9 Re 0.3812809 0.2697788 0.3369960 -0.0572751 0.0283466 0.5602250 -0.0089410 -0.0566505 0.5516251 10 Re 0.2012178 -0.9749001 0.1854161 -0.0658688 0.0489381 -0.9548660 0.1598617 -0.4871589 0.9515381 11 Re 0.2942904 0.7056826 -0.2801245 -0.0331820 0.8918765 0.1088566 -0.0538981 1.1402196 -0.0409802 12 Re 0.2012178 0.9749001 0.1854161 0.0658688 0.0489381 0.9548660 0.1598617 0.4871589 0.9515381 13 Se 0.0393469 -0.0770379 -0.1799843 0.0641714 0.1993792 -0.0758978 -0.0792635 0.0257585 -0.4494613 14 Se -0.7684955 -0.0175393 0.0667337 -0.0000174 0.4069439 -0.3473871 -0.0442893 -0.1686408 -0.4019679 15 Se 0.0393469 0.0770379 -0.1799843 -0.0641714 0.1993792 0.0758978 -0.0792635 -0.0257585 -0.4494613 16 Se -0.1912229 -0.5301009 -0.3510816 -0.2009543 -0.2734734 -0.1451740 -0.1884179 -0.1945083 -0.0776870 17 Se -0.1912229 -0.5301009 -0.3510816 -0.2009543 -0.2734734 -0.1451740 -0.1884179 -0.1945083 -0.0776870 18 Se -0.1912229 0.5301009 -0.3510816 0.2009543 -0.2734734 0.1451740 -0.1884179 0.1945083 -0.0776870 19 Se -0.1707884 -0.6457224 0.0429446 -0.2391259 -0.3933518 0.0120066 -0.1323120 -0.1106252 0.1689822 20 Se 0.0393469 0.0770379 -0.1799843 -0.0641714 0.1993792 0.0758978 -0.0792635 -0.0257585 -0.4494613 21 Se -0.1707884 0.6457224 0.0429446 0.2391259 -0.3933518 -0.0120066 -0.1323120 0.1106252 0.1689822 22 Se -0.7684955 -0.0175393 0.0667337 -0.0000174 0.4069439 -0.3473871 -0.0442893 -0.1686408 -0.4019679 23 Se -0.7684955 0.0175393 0.0667337 0.0000174 0.4069439 0.3473871 -0.0442893 0.1686408 -0.4019679 24 Se -0.1707884 0.6457224 0.0429446 0.2391259 -0.3933518 -0.0120066 -0.1323120 0.1106252 0.1689822 25 Se -0.1912229 0.5301009 -0.3510816 0.2009543 -0.2734734 0.1451740 -0.1884179 0.1945083 -0.0776870 26 Se -0.1707884 -0.6457224 0.0429446 -0.2391259 -0.3933518 0.0120066 -0.1323120 -0.1106252 0.1689822 27 Se 0.0393469 -0.0770379 -0.1799843 0.0641714 0.1993792 -0.0758978 -0.0792635 0.0257585 -0.4494613 28 Se -0.7684955 0.0175393 0.0667337 0.0000174 0.4069439 0.3473871 -0.0442893 0.1686408 -0.4019679 29 Br 0.2143707 -0.2481064 0.1791000 -0.3551331 -0.9086593 1.0510765 0.3472601 0.9906814 -0.7020489 30 Br 0.2143707 0.2481064 0.1791000 0.3551331 -0.9086593 -1.0510765 0.3472601 -0.9906814 -0.7020489 31 Br 0.2143707 0.2481064 0.1791000 0.3551331 -0.9086593 -1.0510765 0.3472601 -0.9906814 -0.7020489 32 Br 0.2143707 -0.2481064 0.1791000 -0.3551331 -0.9086593 1.0510765 0.3472601 0.9906814 -0.7020489 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 4 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: 0.45, Number of G-points: 287, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 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 0.848 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.379 ( 0.000 0.000 0.000) 0.000 1.401 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.688 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.182 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.486 ( 0.000 0.000 0.000) 0.000 3.346 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.637 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.056 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.204 ( 0.000 0.000 0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.336 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.165 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.635 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.681 ( 0.000 0.000 0.000) 0.000 5.732 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.400 ( 0.000 0.000 0.000) 0.000 6.454 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.474 ( 0.000 0.000 0.000) 0.000 6.501 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.590 ( 0.000 0.000 0.000) 0.000 6.732 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.810 ( 0.000 0.000 0.000) 0.000 6.816 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 0.000) 0.000 6.937 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.186 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.327 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.448 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 7.752 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 7.821 ( 0.000 0.000 0.000) 0.000 8.433 ( 0.000 0.000 0.000) 0.000 8.480 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.543 ( 0.000 0.000 0.000) 0.000 8.735 ( 0.000 0.000 0.000) 0.000 8.754 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.790 ( 0.000 0.000 0.000) 0.000 8.882 ( 0.000 0.000 0.000) 0.000 8.948 ( 0.000 0.000 0.000) 0.000 8.971 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.224 ( 12.679 0.000 -0.683) 12.697 0.302 ( 14.315 0.000 4.186) 14.915 0.693 ( 32.651 0.000 3.310) 32.819 0.977 ( 11.933 0.000 -6.693) 13.682 1.174 ( -5.673 0.000 -4.599) 7.303 1.310 ( -1.330 0.000 2.517) 2.847 1.377 ( 6.981 0.000 2.019) 7.267 1.465 ( 3.728 0.000 2.744) 4.629 1.554 ( 5.590 0.000 0.095) 5.591 1.621 ( 2.441 0.000 -0.123) 2.444 1.687 ( -0.301 0.000 0.832) 0.885 1.984 ( 1.937 0.000 -1.540) 2.474 2.102 ( -5.067 0.000 -1.678) 5.338 2.208 ( 1.998 0.000 0.519) 2.064 2.392 ( -2.782 0.000 1.002) 2.957 2.505 ( 1.590 0.000 0.153) 1.597 3.334 ( -1.355 0.000 0.321) 1.393 3.450 ( 0.766 0.000 -0.024) 0.767 3.522 ( -0.196 0.000 -0.695) 0.722 3.638 ( 0.066 0.000 -0.766) 0.769 3.813 ( -0.005 0.000 1.108) 1.108 3.858 ( -1.333 0.000 -0.048) 1.333 3.980 ( -4.910 0.000 -0.717) 4.962 4.059 ( -0.088 0.000 -0.347) 0.358 4.151 ( -3.775 0.000 -0.057) 3.775 4.189 ( -0.148 0.000 0.632) 0.649 4.217 ( -2.328 0.000 0.051) 2.328 4.269 ( 0.360 0.000 0.757) 0.838 4.335 ( 1.279 0.000 -1.320) 1.838 4.352 ( 0.332 0.000 2.108) 2.134 4.387 ( -2.107 0.000 -0.367) 2.139 4.441 ( 4.909 0.000 0.028) 4.909 4.465 ( 3.928 0.000 -0.064) 3.928 4.606 ( -0.588 0.000 -0.720) 0.930 4.623 ( 0.244 0.000 0.074) 0.255 4.659 ( -0.207 0.000 0.897) 0.921 4.706 ( 0.586 0.000 -0.251) 0.638 4.869 ( -0.086 0.000 -0.190) 0.209 4.878 ( 0.039 0.000 0.261) 0.264 4.964 ( -0.956 0.000 0.514) 1.086 5.025 ( -2.406 0.000 0.281) 2.422 5.088 ( -1.801 0.000 -1.664) 2.452 5.161 ( 0.579 0.000 -1.740) 1.834 5.179 ( -0.444 0.000 -0.481) 0.655 5.213 ( 0.063 0.000 2.423) 2.424 5.231 ( 0.822 0.000 -0.516) 0.971 5.341 ( 3.054 0.000 -1.302) 3.320 5.390 ( -0.532 0.000 0.316) 0.619 5.551 ( -4.100 0.000 5.117) 6.557 5.612 ( 0.614 0.000 1.203) 1.350 5.625 ( 0.374 0.000 0.544) 0.660 5.663 ( -0.280 0.000 -3.388) 3.400 5.735 ( 5.567 0.000 -3.389) 6.517 5.743 ( 0.196 0.000 1.375) 1.389 5.844 ( 0.043 0.000 0.287) 0.290 5.850 ( -0.333 0.000 0.220) 0.399 5.895 ( 0.256 0.000 0.393) 0.469 6.157 ( -3.947 0.000 0.028) 3.948 6.230 ( -3.633 0.000 -0.091) 3.634 6.347 ( -4.951 0.000 -0.548) 4.981 6.407 ( -7.065 0.000 0.990) 7.134 6.444 ( -0.165 0.000 -0.292) 0.335 6.483 ( 1.743 0.000 0.364) 1.780 6.500 ( 1.929 0.000 -0.010) 1.929 6.547 ( 0.992 0.000 0.015) 0.992 6.596 ( -0.109 0.000 -0.048) 0.120 6.715 ( -1.299 0.000 -0.117) 1.304 6.787 ( -1.864 0.000 -0.093) 1.866 6.808 ( 2.861 0.000 -0.820) 2.976 6.869 ( 0.936 0.000 0.869) 1.277 6.910 ( 1.562 0.000 0.801) 1.755 6.938 ( 0.097 0.000 -0.056) 0.112 7.063 ( 0.524 0.000 0.221) 0.569 7.098 ( 0.279 0.000 0.011) 0.280 7.201 ( 1.129 0.000 -0.025) 1.129 7.223 ( 3.506 0.000 -0.154) 3.509 7.277 ( 0.789 0.000 -0.721) 1.069 7.341 ( 1.493 0.000 -0.016) 1.493 7.361 ( 0.139 0.000 -0.280) 0.313 7.410 ( -2.873 0.000 1.051) 3.059 7.758 ( 3.827 0.000 -0.653) 3.883 7.764 ( -0.424 0.000 0.170) 0.457 7.805 ( -0.422 0.000 -0.136) 0.443 7.838 ( 2.408 0.000 0.463) 2.452 8.435 ( 0.369 0.000 -0.093) 0.381 8.482 ( 0.161 0.000 -0.025) 0.163 8.541 ( -0.202 0.000 -0.031) 0.204 8.543 ( -0.161 0.000 0.059) 0.171 8.734 ( -0.097 0.000 0.075) 0.122 8.769 ( 1.114 0.000 0.209) 1.134 8.771 ( 0.451 0.000 0.049) 0.453 8.784 ( -0.504 0.000 0.463) 0.684 8.789 ( 0.200 0.000 -0.269) 0.336 8.875 ( -0.543 0.000 -0.297) 0.619 8.936 ( -1.159 0.000 -0.075) 1.162 8.961 ( -1.123 0.000 0.141) 1.132 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 12.379 0.000 0.315) 12.383 0.614 ( 15.028 0.000 3.382) 15.403 0.993 ( -7.469 0.000 -4.415) 8.676 1.115 ( 8.993 0.000 -5.252) 10.414 1.249 ( 20.493 0.000 3.356) 20.766 1.362 ( 4.862 0.000 0.618) 4.901 1.524 ( 0.603 0.000 4.323) 4.364 1.638 ( 3.525 0.000 0.178) 3.529 1.641 ( 5.751 0.000 -3.016) 6.494 1.655 ( 5.950 0.000 3.067) 6.694 1.725 ( 6.988 0.000 0.956) 7.053 1.960 ( -6.818 0.000 -2.701) 7.333 2.024 ( 4.350 0.000 -3.559) 5.621 2.240 ( -0.021 0.000 1.485) 1.485 2.335 ( -4.009 0.000 1.438) 4.259 2.525 ( -0.350 0.000 0.048) 0.353 3.304 ( -2.044 0.000 0.509) 2.107 3.462 ( 0.484 0.000 -0.539) 0.724 3.524 ( 1.371 0.000 -1.108) 1.763 3.609 ( -2.713 0.000 -0.232) 2.723 3.814 ( -0.835 0.000 0.949) 1.264 3.855 ( 1.642 0.000 0.722) 1.793 3.911 ( -0.999 0.000 -0.677) 1.207 4.018 ( -3.688 0.000 0.082) 3.689 4.114 ( 0.167 0.000 -1.017) 1.030 4.166 ( -3.365 0.000 2.156) 3.996 4.195 ( 1.096 0.000 -2.192) 2.451 4.292 ( 1.014 0.000 -0.288) 1.054 4.326 ( -3.218 0.000 0.736) 3.301 4.336 ( -1.383 0.000 1.659) 2.160 4.405 ( 4.581 0.000 -0.229) 4.587 4.532 ( 2.870 0.000 -0.347) 2.891 4.539 ( 4.719 0.000 0.102) 4.720 4.597 ( 0.522 0.000 -0.335) 0.620 4.636 ( 0.903 0.000 0.800) 1.206 4.666 ( 0.102 0.000 0.825) 0.831 4.714 ( 0.565 0.000 -0.759) 0.946 4.865 ( -0.122 0.000 -0.484) 0.499 4.885 ( 0.428 0.000 0.521) 0.675 4.949 ( -1.225 0.000 0.810) 1.469 4.954 ( -5.037 0.000 0.188) 5.041 5.041 ( -1.452 0.000 -2.630) 3.004 5.164 ( -0.592 0.000 -0.684) 0.905 5.165 ( 1.362 0.000 -1.711) 2.187 5.229 ( -0.560 0.000 2.306) 2.373 5.238 ( 0.234 0.000 -0.842) 0.874 5.381 ( -0.731 0.000 0.525) 0.900 5.389 ( 2.917 0.000 -1.505) 3.282 5.486 ( -7.371 0.000 5.797) 9.377 5.615 ( -3.390 0.000 4.008) 5.250 5.640 ( 3.174 0.000 -6.742) 7.452 5.654 ( 1.552 0.000 0.833) 1.761 5.742 ( -1.457 0.000 1.147) 1.854 5.812 ( 4.448 0.000 -3.948) 5.948 5.837 ( -0.903 0.000 -0.367) 0.974 5.844 ( -0.401 0.000 0.191) 0.444 5.941 ( 2.896 0.000 2.055) 3.551 6.065 ( -3.653 0.000 0.248) 3.661 6.110 ( -7.675 0.000 0.132) 7.676 6.262 ( -3.016 0.000 -0.323) 3.033 6.310 ( -3.080 0.000 0.167) 3.084 6.444 ( 0.222 0.000 -0.287) 0.363 6.527 ( 1.495 0.000 0.619) 1.618 6.528 ( -2.098 0.000 0.062) 2.099 6.543 ( 0.515 0.000 0.143) 0.535 6.564 ( -3.201 0.000 -0.336) 3.218 6.699 ( 0.128 0.000 -0.159) 0.204 6.758 ( -0.650 0.000 -0.113) 0.659 6.852 ( 2.405 0.000 -0.542) 2.465 6.876 ( -0.239 0.000 0.122) 0.268 6.938 ( 0.011 0.000 -0.042) 0.043 6.948 ( 1.368 0.000 0.558) 1.477 7.076 ( 0.628 0.000 0.250) 0.676 7.099 ( -0.082 0.000 0.032) 0.088 7.212 ( 0.359 0.000 -0.568) 0.672 7.260 ( 0.131 0.000 -0.722) 0.734 7.327 ( 4.696 0.000 -0.179) 4.699 7.387 ( 3.650 0.000 -0.163) 3.654 7.402 ( 3.429 0.000 0.300) 3.442 7.407 ( 2.019 0.000 1.211) 2.354 7.728 ( -2.968 0.000 0.052) 2.969 7.735 ( -3.209 0.000 -0.218) 3.216 7.868 ( 4.278 0.000 -0.512) 4.309 7.904 ( 3.214 0.000 0.577) 3.266 8.446 ( 0.808 0.000 -0.097) 0.814 8.486 ( 0.364 0.000 -0.072) 0.371 8.533 ( -0.677 0.000 -0.033) 0.678 8.537 ( -0.402 0.000 -0.118) 0.419 8.735 ( 0.188 0.000 0.096) 0.211 8.772 ( -0.190 0.000 0.008) 0.190 8.775 ( -0.370 0.000 0.037) 0.372 8.799 ( 1.131 0.000 0.858) 1.420 8.803 ( 1.264 0.000 -0.281) 1.295 8.860 ( -0.512 0.000 -0.517) 0.728 8.906 ( -1.812 0.000 -0.202) 1.823 8.932 ( -1.967 0.000 0.253) 1.983 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 5.248 0.000 2.061) 5.639 0.859 ( -1.502 0.000 -4.607) 4.846 0.918 ( 13.998 0.000 1.949) 14.133 1.253 ( 8.102 0.000 -2.808) 8.575 1.420 ( 3.523 0.000 0.340) 3.539 1.516 ( -5.981 0.000 4.882) 7.720 1.543 ( 5.335 0.000 0.791) 5.394 1.644 ( -1.090 0.000 2.362) 2.601 1.691 ( -0.585 0.000 -3.352) 3.402 1.727 ( 5.153 0.000 2.735) 5.833 1.804 ( -0.803 0.000 -3.821) 3.904 2.022 ( 11.485 0.000 1.736) 11.616 2.068 ( 3.020 0.000 -6.557) 7.219 2.239 ( -1.060 0.000 3.150) 3.324 2.276 ( -2.793 0.000 1.152) 3.021 2.480 ( -3.854 0.000 -0.428) 3.878 3.271 ( -1.624 0.000 0.470) 1.691 3.458 ( -0.203 0.000 -0.720) 0.748 3.515 ( -2.067 0.000 -1.422) 2.508 3.589 ( 1.249 0.000 1.188) 1.724 3.814 ( 0.865 0.000 -0.534) 1.016 3.906 ( -0.046 0.000 0.244) 0.248 3.939 ( 4.957 0.000 0.722) 5.009 3.957 ( -1.685 0.000 0.548) 1.772 4.112 ( 0.115 0.000 -0.848) 0.855 4.124 ( -2.281 0.000 1.159) 2.558 4.201 ( 1.093 0.000 -1.707) 2.027 4.222 ( -4.461 0.000 -1.223) 4.626 4.316 ( -1.842 0.000 1.649) 2.472 4.378 ( 4.754 0.000 1.726) 5.058 4.519 ( 6.453 0.000 -1.307) 6.584 4.579 ( 4.052 0.000 0.068) 4.052 4.605 ( 2.125 0.000 -0.136) 2.130 4.624 ( 1.825 0.000 0.832) 2.006 4.662 ( 0.406 0.000 0.275) 0.491 4.684 ( 1.502 0.000 1.095) 1.859 4.709 ( -0.272 0.000 -1.216) 1.246 4.834 ( -6.917 0.000 -1.053) 6.997 4.857 ( -0.321 0.000 -0.420) 0.528 4.907 ( 0.784 0.000 1.421) 1.623 4.912 ( -4.227 0.000 0.762) 4.295 4.989 ( -1.715 0.000 -2.387) 2.939 5.148 ( -0.502 0.000 -0.487) 0.700 5.182 ( 1.607 0.000 -1.398) 2.130 5.227 ( -0.567 0.000 -0.735) 0.928 5.228 ( -1.133 0.000 1.680) 2.027 5.364 ( -5.474 0.000 3.266) 6.374 5.379 ( -2.902 0.000 1.072) 3.093 5.425 ( 1.949 0.000 -1.121) 2.248 5.583 ( -1.664 0.000 0.922) 1.902 5.645 ( 1.137 0.000 -2.823) 3.044 5.688 ( 1.206 0.000 0.913) 1.513 5.718 ( -1.651 0.000 0.808) 1.838 5.783 ( -2.360 0.000 -2.650) 3.548 5.813 ( -1.388 0.000 -0.163) 1.397 5.854 ( 0.455 0.000 0.335) 0.565 5.910 ( -5.825 0.000 1.459) 6.005 6.099 ( 6.149 0.000 -0.247) 6.154 6.109 ( 6.545 0.000 0.454) 6.561 6.224 ( -0.816 0.000 -0.013) 0.816 6.275 ( -1.029 0.000 -0.187) 1.046 6.430 ( -6.934 0.000 0.084) 6.935 6.433 ( -5.576 0.000 -0.468) 5.595 6.452 ( -2.241 0.000 0.407) 2.277 6.554 ( -0.001 0.000 0.012) 0.012 6.567 ( 0.958 0.000 0.152) 0.970 6.717 ( 1.473 0.000 -0.118) 1.478 6.764 ( 1.071 0.000 0.027) 1.072 6.868 ( -0.528 0.000 -0.055) 0.531 6.891 ( 1.807 0.000 -0.189) 1.817 6.938 ( -0.007 0.000 -0.009) 0.011 6.973 ( 0.957 0.000 0.220) 0.982 7.088 ( 0.430 0.000 0.119) 0.446 7.098 ( -0.045 0.000 0.031) 0.054 7.214 ( 0.280 0.000 -0.445) 0.526 7.249 ( -0.402 0.000 -0.386) 0.558 7.408 ( 3.330 0.000 -0.064) 3.331 7.462 ( 3.287 0.000 0.086) 3.288 7.476 ( 4.139 0.000 0.127) 4.141 7.485 ( 4.648 0.000 0.618) 4.688 7.661 ( -3.887 0.000 -0.085) 3.888 7.664 ( -3.966 0.000 -0.093) 3.967 7.924 ( 1.997 0.000 -0.332) 2.024 7.955 ( 1.580 0.000 0.379) 1.624 8.464 ( 1.186 0.000 -0.052) 1.187 8.494 ( 0.552 0.000 -0.114) 0.564 8.515 ( -1.156 0.000 -0.018) 1.156 8.526 ( -0.622 0.000 -0.021) 0.623 8.744 ( 0.633 0.000 0.060) 0.636 8.772 ( 0.136 0.000 -0.022) 0.138 8.772 ( 0.157 0.000 0.054) 0.166 8.814 ( -0.690 0.000 0.669) 0.961 8.821 ( 0.592 0.000 -0.028) 0.593 8.853 ( 0.403 0.000 -0.724) 0.829 8.876 ( -0.703 0.000 -0.276) 0.755 8.895 ( -2.099 0.000 0.394) 2.136 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 0.000 0.000 0.000) 0.000 0.852 ( 0.000 0.000 0.000) 0.000 1.103 ( 0.000 0.000 0.000) 0.000 1.328 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.666 ( 0.000 0.000 0.000) 0.000 1.791 ( -0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 2.044 ( -0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.253 ( -0.000 0.000 0.000) 0.000 2.255 ( 0.000 0.000 -0.000) 0.000 2.421 ( -0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 0.000) 0.000 3.483 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.096 ( -0.000 0.000 -0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 -0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.558 ( 0.000 0.000 0.000) 0.000 4.625 ( 0.000 0.000 0.000) 0.000 4.660 ( 0.000 0.000 0.000) 0.000 4.668 ( -0.000 0.000 0.000) 0.000 4.673 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.786 ( -0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.937 ( -0.000 0.000 -0.000) 0.000 4.946 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.196 ( 0.000 0.000 -0.000) 0.000 5.215 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.372 ( 0.000 0.000 0.000) 0.000 5.440 ( 0.000 0.000 0.000) 0.000 5.571 ( -0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 -0.000) 0.000 5.701 ( 0.000 0.000 -0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.740 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.247 ( -0.000 0.000 0.000) 0.000 6.274 ( -0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.320 ( 0.000 0.000 0.000) 0.000 6.448 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.576 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 6.780 ( 0.000 0.000 0.000) 0.000 6.861 ( 0.000 0.000 0.000) 0.000 6.909 ( 0.000 0.000 0.000) 0.000 6.938 ( 0.000 0.000 0.000) 0.000 6.984 ( 0.000 0.000 0.000) 0.000 7.093 ( 0.000 0.000 0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.494 ( 0.000 0.000 0.000) 0.000 7.542 ( -0.000 0.000 0.000) 0.000 7.567 ( -0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.600 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 7.971 ( 0.000 0.000 0.000) 0.000 8.486 ( -0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.501 ( -0.000 0.000 0.000) 0.000 8.518 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 8.785 ( -0.000 0.000 0.000) 0.000 8.793 ( 0.000 0.000 0.000) 0.000 8.826 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 8.868 ( 0.000 0.000 0.000) 0.000 8.872 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 0.000 12.861 0.000) 12.861 0.440 ( 0.000 19.743 0.000) 19.743 0.521 ( 0.000 22.807 0.000) 22.807 0.754 ( 0.000 -7.947 0.000) 7.947 1.121 ( 0.000 -8.995 0.000) 8.995 1.284 ( 0.000 -10.226 0.000) 10.226 1.395 ( 0.000 3.362 0.000) 3.362 1.430 ( 0.000 1.824 0.000) 1.824 1.490 ( 0.000 6.888 0.000) 6.888 1.592 ( 0.000 -1.007 0.000) 1.007 1.640 ( 0.000 -3.808 0.000) 3.808 1.845 ( 0.000 -8.188 0.000) 8.188 2.239 ( 0.000 4.693 0.000) 4.693 2.250 ( 0.000 5.490 0.000) 5.490 2.402 ( 0.000 -1.410 0.000) 1.410 2.451 ( 0.000 -3.222 0.000) 3.222 3.329 ( 0.000 -1.306 0.000) 1.306 3.376 ( 0.000 -3.858 0.000) 3.858 3.532 ( 0.000 0.731 0.000) 0.731 3.690 ( 0.000 -6.376 0.000) 6.376 3.735 ( 0.000 6.937 0.000) 6.937 3.980 ( 0.000 3.622 0.000) 3.622 4.012 ( 0.000 -2.164 0.000) 2.164 4.059 ( 0.000 1.248 0.000) 1.248 4.160 ( 0.000 -2.848 0.000) 2.848 4.188 ( 0.000 -3.425 0.000) 3.425 4.284 ( 0.000 5.650 0.000) 5.650 4.302 ( 0.000 1.541 0.000) 1.541 4.328 ( 0.000 -0.014 0.000) 0.014 4.341 ( 0.000 0.505 0.000) 0.505 4.387 ( 0.000 0.795 0.000) 0.795 4.411 ( 0.000 0.040 0.000) 0.040 4.462 ( 0.000 4.353 0.000) 4.353 4.610 ( 0.000 0.998 0.000) 0.998 4.634 ( 0.000 -1.949 0.000) 1.949 4.660 ( 0.000 2.240 0.000) 2.240 4.703 ( 0.000 -0.237 0.000) 0.237 4.842 ( 0.000 -2.884 0.000) 2.884 4.890 ( 0.000 1.212 0.000) 1.212 4.957 ( 0.000 -1.264 0.000) 1.264 5.050 ( 0.000 0.266 0.000) 0.266 5.130 ( 0.000 0.579 0.000) 0.579 5.147 ( 0.000 -4.276 0.000) 4.276 5.166 ( 0.000 -0.643 0.000) 0.643 5.195 ( 0.000 0.421 0.000) 0.421 5.217 ( 0.000 -0.568 0.000) 0.568 5.324 ( 0.000 1.169 0.000) 1.169 5.398 ( 0.000 0.245 0.000) 0.245 5.463 ( 0.000 -6.280 0.000) 6.280 5.519 ( 0.000 -3.903 0.000) 3.903 5.606 ( 0.000 -0.047 0.000) 0.047 5.636 ( 0.000 -0.785 0.000) 0.785 5.762 ( 0.000 3.640 0.000) 3.640 5.821 ( 0.000 0.441 0.000) 0.441 5.844 ( 0.000 0.289 0.000) 0.289 5.887 ( 0.000 -0.859 0.000) 0.859 5.981 ( 0.000 10.671 0.000) 10.671 6.194 ( 0.000 -0.037 0.000) 0.037 6.256 ( 0.000 -0.392 0.000) 0.392 6.383 ( 0.000 -3.795 0.000) 3.795 6.420 ( 0.000 -0.436 0.000) 0.436 6.465 ( 0.000 -0.922 0.000) 0.922 6.471 ( 0.000 0.135 0.000) 0.135 6.488 ( 0.000 -0.826 0.000) 0.826 6.541 ( 0.000 0.953 0.000) 0.953 6.582 ( 0.000 -0.715 0.000) 0.715 6.743 ( 0.000 0.978 0.000) 0.978 6.779 ( 0.000 0.215 0.000) 0.215 6.803 ( 0.000 -0.462 0.000) 0.462 6.813 ( 0.000 -0.258 0.000) 0.258 6.910 ( 0.000 1.300 0.000) 1.300 6.942 ( 0.000 -0.070 0.000) 0.070 7.062 ( 0.000 0.644 0.000) 0.644 7.113 ( 0.000 -1.142 0.000) 1.142 7.191 ( 0.000 0.439 0.000) 0.439 7.194 ( 0.000 0.387 0.000) 0.387 7.280 ( 0.000 0.518 0.000) 0.518 7.328 ( 0.000 -1.229 0.000) 1.229 7.386 ( 0.000 0.824 0.000) 0.824 7.437 ( 0.000 -1.007 0.000) 1.007 7.714 ( 0.000 1.179 0.000) 1.179 7.753 ( 0.000 -0.087 0.000) 0.087 7.814 ( 0.000 -0.497 0.000) 0.497 7.816 ( 0.000 -0.353 0.000) 0.353 8.439 ( 0.000 0.608 0.000) 0.608 8.473 ( 0.000 -0.631 0.000) 0.631 8.528 ( 0.000 0.193 0.000) 0.193 8.540 ( 0.000 -0.264 0.000) 0.264 8.737 ( 0.000 0.185 0.000) 0.185 8.751 ( 0.000 -0.306 0.000) 0.306 8.770 ( 0.000 0.423 0.000) 0.423 8.788 ( 0.000 -0.242 0.000) 0.242 8.802 ( 0.000 1.229 0.000) 1.229 8.867 ( 0.000 -1.237 0.000) 1.237 8.952 ( 0.000 0.350 0.000) 0.350 8.968 ( 0.000 -0.275 0.000) 0.275 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 9.686 14.121 -7.584) 18.729 0.544 ( 3.732 15.837 10.299) 19.257 0.791 ( 27.003 8.961 0.530) 28.456 0.890 ( 11.147 -6.787 -4.847) 13.922 1.116 ( -1.976 -6.237 0.259) 6.548 1.292 ( 5.516 -6.004 -0.587) 8.174 1.402 ( 2.457 3.750 -1.696) 4.793 1.467 ( 3.845 0.676 -0.706) 3.968 1.536 ( 2.082 1.812 3.501) 4.458 1.613 ( 0.431 -1.751 1.244) 2.191 1.664 ( 2.969 -1.869 -0.022) 3.509 1.842 ( -0.220 -8.551 -1.042) 8.617 2.217 ( -2.492 6.138 -1.593) 6.813 2.262 ( 1.620 4.529 0.742) 4.867 2.377 ( -2.625 -1.504 0.526) 3.071 2.469 ( 1.500 -3.277 0.296) 3.616 3.318 ( -1.261 -0.998 0.468) 1.675 3.378 ( 0.076 -4.201 0.030) 4.202 3.527 ( -0.157 0.840 -0.290) 0.903 3.680 ( -0.055 -5.060 -0.796) 5.122 3.751 ( 0.268 5.933 1.262) 6.072 3.967 ( -1.964 4.398 0.703) 4.868 3.998 ( -3.560 1.972 -1.932) 4.505 4.020 ( 0.837 -3.182 -0.143) 3.294 4.099 ( -5.239 -3.035 0.761) 6.102 4.172 ( -1.332 -3.238 -0.547) 3.544 4.284 ( 0.917 4.525 -1.949) 5.012 4.303 ( -1.068 2.422 2.083) 3.368 4.335 ( 1.571 0.114 -0.977) 1.853 4.350 ( -0.505 0.165 1.464) 1.557 4.418 ( 0.072 2.406 -0.194) 2.415 4.444 ( 4.304 0.223 -0.057) 4.310 4.479 ( 2.401 2.017 0.217) 3.143 4.613 ( 0.324 1.233 0.363) 1.326 4.641 ( 0.293 -1.236 0.478) 1.357 4.652 ( -0.460 1.894 -0.271) 1.968 4.702 ( 0.084 -0.530 -0.285) 0.607 4.842 ( 0.174 -2.921 -0.445) 2.959 4.891 ( -0.080 1.136 0.397) 1.206 4.951 ( -0.760 -1.052 0.446) 1.372 5.032 ( -2.141 0.496 0.500) 2.254 5.099 ( -1.843 0.940 -1.463) 2.534 5.138 ( 0.275 -3.358 -2.234) 4.043 5.168 ( -1.238 -2.079 3.344) 4.128 5.191 ( -0.609 0.198 0.455) 0.785 5.222 ( 0.577 -0.778 -0.483) 1.082 5.349 ( 2.475 0.617 -1.173) 2.808 5.393 ( -0.641 -0.065 0.224) 0.682 5.445 ( -2.137 -4.181 2.521) 5.330 5.541 ( 2.659 -5.234 -4.570) 7.440 5.626 ( 2.190 0.559 0.494) 2.314 5.653 ( 1.257 -0.450 0.105) 1.339 5.754 ( -1.271 3.850 2.247) 4.636 5.827 ( 0.416 0.091 0.149) 0.451 5.845 ( 0.003 0.236 0.015) 0.236 5.885 ( 0.041 -0.772 0.415) 0.877 5.982 ( 0.418 10.322 -0.496) 10.342 6.159 ( -3.738 0.134 -0.077) 3.741 6.223 ( -3.756 -0.380 -0.037) 3.775 6.353 ( -5.212 0.544 -0.518) 5.266 6.379 ( -3.295 -3.734 2.376) 5.517 6.405 ( -2.970 -2.112 -2.202) 4.258 6.484 ( 1.855 0.204 0.016) 1.867 6.497 ( 1.950 -0.240 -0.027) 1.965 6.557 ( 0.673 0.728 0.180) 1.008 6.589 ( 0.052 -0.607 -0.009) 0.609 6.726 ( -1.361 0.995 -0.121) 1.691 6.776 ( -1.649 -0.884 -0.003) 1.871 6.816 ( 2.364 0.670 -0.288) 2.474 6.857 ( 2.441 -0.957 0.908) 2.775 6.916 ( 0.669 0.931 0.031) 1.147 6.942 ( 0.110 0.075 -0.079) 0.155 7.068 ( 0.375 0.535 0.190) 0.680 7.104 ( -0.456 -0.268 -0.160) 0.553 7.210 ( 1.399 0.676 0.060) 1.555 7.225 ( 3.092 0.094 -0.128) 3.096 7.286 ( 1.036 0.796 -0.483) 1.393 7.336 ( 1.339 -0.828 0.107) 1.578 7.365 ( -0.526 0.549 -0.505) 0.913 7.402 ( -2.418 -0.679 0.712) 2.610 7.767 ( 1.541 0.688 -0.127) 1.692 7.773 ( 1.535 0.883 -0.182) 1.780 7.798 ( -0.425 -0.592 -0.070) 0.732 7.827 ( 2.513 -0.970 0.340) 2.715 8.442 ( 0.360 0.607 -0.079) 0.710 8.475 ( 0.220 -0.591 -0.047) 0.632 8.536 ( 0.224 -0.248 0.073) 0.342 8.539 ( -0.103 -0.192 -0.007) 0.218 8.738 ( 0.003 0.337 0.091) 0.349 8.760 ( 0.575 -0.567 0.210) 0.834 8.777 ( 0.804 0.345 0.016) 0.875 8.789 ( 0.366 -0.078 -0.187) 0.419 8.798 ( -0.496 1.185 0.258) 1.310 8.861 ( -0.535 -1.191 -0.193) 1.320 8.941 ( -1.161 0.353 -0.072) 1.215 8.958 ( -1.140 -0.299 0.091) 1.182 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 10.319 10.347 -2.232) 14.782 0.726 ( 8.827 8.485 5.516) 13.429 0.984 ( -0.316 -1.613 -2.077) 2.649 1.076 ( 4.900 -2.663 -3.414) 6.539 1.261 ( 16.849 1.457 1.421) 16.971 1.428 ( 4.252 4.452 -1.290) 6.290 1.488 ( 5.840 -7.176 -0.378) 9.259 1.541 ( 3.377 -0.325 -0.281) 3.404 1.619 ( 1.337 -1.633 0.127) 2.114 1.683 ( 11.439 0.262 3.873) 12.080 1.724 ( 2.167 -1.537 -0.420) 2.690 1.826 ( 0.720 -6.051 -0.537) 6.117 2.157 ( -0.786 6.422 -3.393) 7.305 2.287 ( -0.566 3.989 1.645) 4.352 2.322 ( -3.323 -1.277 0.493) 3.594 2.489 ( -0.435 -3.272 0.306) 3.315 3.291 ( -2.065 -0.700 0.761) 2.309 3.371 ( -0.823 -4.914 -0.339) 4.994 3.536 ( 1.501 1.159 -0.112) 1.900 3.691 ( 1.989 -4.088 -0.770) 4.611 3.736 ( -3.124 5.835 1.456) 6.776 3.913 ( -1.646 1.704 -0.156) 2.374 3.967 ( 0.171 3.396 -0.710) 3.473 4.002 ( -3.842 -0.681 0.355) 3.918 4.041 ( 0.596 -4.728 -0.464) 4.788 4.140 ( -1.239 -2.513 -0.577) 2.861 4.276 ( -1.610 2.920 -0.572) 3.383 4.299 ( -0.179 0.179 0.243) 0.351 4.337 ( -0.155 2.511 -1.404) 2.881 4.378 ( 1.921 3.213 1.889) 4.193 4.413 ( 1.147 1.903 0.484) 2.274 4.529 ( 3.908 -0.192 -0.188) 3.917 4.543 ( 3.720 0.373 0.297) 3.751 4.627 ( 0.462 2.464 0.349) 2.531 4.640 ( 0.119 -0.134 0.256) 0.312 4.659 ( 0.619 -0.031 0.592) 0.857 4.704 ( 0.419 -0.896 -0.685) 1.203 4.841 ( 0.155 -2.546 -0.721) 2.650 4.896 ( 0.180 0.853 0.655) 1.091 4.935 ( -1.748 -0.661 0.494) 1.933 4.976 ( -4.021 1.266 1.115) 4.361 5.052 ( -1.348 1.126 -2.655) 3.183 5.127 ( 0.148 -4.517 -1.649) 4.811 5.167 ( -1.227 -1.805 2.195) 3.095 5.180 ( -1.448 -1.316 1.687) 2.584 5.225 ( 0.100 -1.117 -0.717) 1.331 5.374 ( -0.142 -0.430 0.026) 0.454 5.386 ( -0.376 -1.268 0.671) 1.483 5.426 ( -1.113 -0.682 0.721) 1.492 5.538 ( 2.007 -5.126 -5.853) 8.035 5.660 ( -1.037 1.351 0.864) 1.910 5.672 ( 1.456 0.274 -0.240) 1.501 5.760 ( -1.369 3.335 4.002) 5.387 5.826 ( -0.471 0.486 -0.632) 0.926 5.843 ( -0.415 -0.080 0.269) 0.501 5.910 ( 0.709 -1.391 1.973) 2.516 5.998 ( 2.544 8.246 -1.725) 8.801 6.066 ( -4.027 0.148 0.056) 4.030 6.107 ( -6.630 0.672 -0.193) 6.667 6.265 ( -3.061 0.165 -0.259) 3.076 6.305 ( -2.868 -0.442 0.218) 2.910 6.392 ( 0.369 -4.602 -0.733) 4.675 6.525 ( 0.908 0.094 0.111) 0.919 6.531 ( -0.572 0.037 0.149) 0.592 6.546 ( -0.578 0.242 0.191) 0.655 6.561 ( -2.939 -0.289 -0.225) 2.962 6.707 ( -0.084 0.743 -0.185) 0.770 6.749 ( -0.650 -0.811 -0.085) 1.043 6.857 ( 1.897 0.692 0.195) 2.029 6.888 ( 0.647 0.498 0.041) 0.817 6.934 ( 0.583 -0.207 0.294) 0.685 6.946 ( 0.659 -0.096 -0.048) 0.668 7.077 ( 0.386 0.146 0.278) 0.497 7.096 ( -0.293 -0.382 0.037) 0.482 7.226 ( 0.320 1.099 -0.349) 1.197 7.259 ( 0.172 -0.160 -0.398) 0.462 7.337 ( 4.453 0.876 -0.174) 4.542 7.384 ( 3.550 -0.480 -0.006) 3.583 7.393 ( 3.319 -0.441 0.046) 3.348 7.404 ( 2.455 -0.333 0.521) 2.532 7.731 ( -3.051 0.210 0.049) 3.058 7.736 ( -3.273 0.056 -0.124) 3.276 7.870 ( 4.213 0.270 -0.338) 4.235 7.897 ( 3.393 -0.645 0.443) 3.482 8.452 ( 0.766 0.569 -0.084) 0.958 8.481 ( 0.459 -0.480 -0.072) 0.668 8.532 ( -0.577 -0.033 0.003) 0.578 8.535 ( -0.361 -0.151 -0.065) 0.396 8.739 ( 0.132 0.377 0.080) 0.407 8.764 ( -0.104 -0.591 -0.005) 0.600 8.788 ( -0.336 1.000 -0.019) 1.055 8.802 ( 1.116 0.218 0.430) 1.216 8.805 ( 1.212 0.132 0.043) 1.220 8.848 ( -0.519 -1.083 -0.357) 1.253 8.910 ( -1.838 0.352 -0.169) 1.879 8.928 ( -1.960 -0.357 0.167) 1.999 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 4.298 7.543 1.549) 8.819 0.942 ( 0.983 7.146 -3.345) 7.951 0.960 ( 11.662 2.322 2.649) 12.182 1.221 ( 9.807 -2.273 -1.620) 10.197 1.376 ( -3.549 -5.858 0.753) 6.890 1.453 ( -0.761 1.466 -0.130) 1.657 1.533 ( 0.219 -8.111 1.517) 8.255 1.601 ( 2.095 -3.237 -4.427) 5.870 1.675 ( 2.723 0.823 0.800) 2.955 1.716 ( -0.383 2.005 0.817) 2.199 1.859 ( 4.717 2.713 2.231) 5.881 1.992 ( 11.019 -2.487 1.972) 11.467 2.141 ( 2.391 5.068 -6.314) 8.442 2.268 ( -2.066 0.043 0.363) 2.098 2.273 ( -1.938 2.170 2.732) 3.991 2.444 ( -4.105 -3.222 -0.039) 5.219 3.258 ( -1.750 -0.662 0.604) 1.966 3.345 ( -1.296 -5.217 -0.380) 5.389 3.575 ( 1.955 1.760 -0.103) 2.633 3.683 ( -1.912 7.458 0.441) 7.712 3.736 ( 2.076 -5.275 0.006) 5.669 3.907 ( 0.539 0.854 -0.521) 1.136 3.927 ( -2.458 -2.333 0.413) 3.414 4.011 ( 2.914 3.495 0.177) 4.554 4.049 ( 0.838 -3.854 -0.247) 3.951 4.120 ( -0.485 -1.038 -0.437) 1.227 4.211 ( -4.240 1.138 -0.665) 4.440 4.279 ( -1.867 -1.951 1.021) 2.887 4.344 ( 1.573 8.547 -2.474) 9.036 4.435 ( 3.629 4.074 3.130) 6.290 4.511 ( 7.719 -0.825 -1.222) 7.859 4.590 ( 2.508 0.872 -0.127) 2.659 4.606 ( 3.124 -0.048 0.319) 3.141 4.644 ( 0.642 0.591 0.936) 1.280 4.651 ( 0.941 -0.024 -0.019) 0.941 4.678 ( 0.662 -0.400 0.861) 1.158 4.703 ( 0.126 -0.259 -0.969) 1.011 4.831 ( -2.115 -1.231 -0.779) 2.568 4.853 ( -4.869 0.323 -0.351) 4.892 4.895 ( -3.077 -0.761 0.891) 3.292 4.931 ( -1.242 1.291 1.540) 2.363 5.004 ( -1.400 1.452 -2.513) 3.222 5.114 ( -0.946 -6.719 0.612) 6.813 5.159 ( -0.388 0.731 -0.242) 0.862 5.164 ( -1.547 -4.151 1.793) 4.779 5.216 ( -0.233 -1.136 -0.658) 1.333 5.346 ( -3.423 -0.531 1.284) 3.694 5.367 ( -0.591 -0.750 0.120) 0.963 5.432 ( 1.468 0.675 -1.365) 2.115 5.531 ( 1.758 -5.300 -4.852) 7.397 5.633 ( -3.035 2.789 2.647) 4.898 5.674 ( -0.617 0.010 -0.262) 0.670 5.735 ( -2.667 1.587 1.766) 3.570 5.810 ( -0.487 0.809 -0.309) 0.993 5.845 ( 0.184 -0.394 0.322) 0.541 5.853 ( -6.059 -1.671 1.373) 6.434 6.006 ( -0.837 8.963 -0.686) 9.028 6.103 ( 6.379 0.070 -0.084) 6.380 6.105 ( 6.330 0.345 -0.204) 6.343 6.228 ( -0.807 0.200 -0.063) 0.833 6.271 ( -0.971 -0.233 -0.169) 1.013 6.390 ( -0.587 -4.347 -0.679) 4.438 6.435 ( -6.981 0.051 0.042) 6.981 6.439 ( -7.089 -0.321 0.397) 7.107 6.556 ( 0.127 0.172 -0.009) 0.213 6.564 ( 0.796 -0.210 0.038) 0.824 6.722 ( 1.365 0.462 -0.125) 1.447 6.755 ( 1.038 -0.773 -0.006) 1.294 6.879 ( -0.033 1.029 0.360) 1.091 6.905 ( 1.326 0.817 -0.234) 1.575 6.939 ( 0.100 0.099 0.052) 0.150 6.966 ( 1.008 -0.606 0.104) 1.181 7.086 ( 0.336 -0.119 0.190) 0.404 7.094 ( -0.032 -0.363 0.047) 0.368 7.226 ( 0.091 0.973 -0.304) 1.024 7.250 ( -0.414 0.023 -0.254) 0.486 7.415 ( 3.260 0.640 -0.065) 3.323 7.454 ( 2.997 -0.749 0.081) 3.090 7.472 ( 4.597 -0.162 -0.019) 4.600 7.482 ( 4.708 -0.342 0.274) 4.729 7.663 ( -3.935 0.155 -0.006) 3.938 7.666 ( -3.921 0.096 -0.059) 3.923 7.927 ( 1.948 0.239 -0.212) 1.974 7.948 ( 1.642 -0.532 0.291) 1.750 8.470 ( 1.122 0.474 -0.045) 1.219 8.491 ( 0.666 -0.303 -0.096) 0.738 8.516 ( -1.063 0.138 0.006) 1.072 8.525 ( -0.668 -0.161 0.002) 0.687 8.746 ( 0.529 0.200 0.026) 0.566 8.764 ( 0.122 -0.483 -0.090) 0.507 8.785 ( 0.076 0.905 0.131) 0.917 8.817 ( -0.329 0.095 0.427) 0.548 8.823 ( 0.358 0.161 0.099) 0.405 8.842 ( 0.487 -0.814 -0.546) 1.094 8.878 ( -0.949 0.185 -0.242) 0.996 8.891 ( -1.923 -0.316 0.263) 1.967 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 0.000 8.257 0.000) 8.257 0.952 ( 0.000 8.443 -0.000) 8.443 1.157 ( 0.000 4.094 0.000) 4.094 1.258 ( 0.000 -11.027 0.000) 11.027 1.362 ( 0.000 2.837 0.000) 2.837 1.403 ( -0.000 -4.576 0.000) 4.576 1.564 ( 0.000 -7.730 0.000) 7.730 1.573 ( 0.000 -5.387 -0.000) 5.387 1.692 ( 0.000 2.446 0.000) 2.446 1.733 ( 0.000 2.769 0.000) 2.769 1.924 ( 0.000 4.566 0.000) 4.566 2.110 ( 0.000 -0.948 0.000) 0.948 2.130 ( 0.000 3.642 0.000) 3.642 2.266 ( -0.000 0.948 0.000) 0.948 2.270 ( 0.000 1.033 -0.000) 1.033 2.380 ( -0.000 -3.714 0.000) 3.714 3.242 ( 0.000 -0.704 0.000) 0.704 3.329 ( 0.000 -5.193 0.000) 5.193 3.591 ( 0.000 3.044 0.000) 3.044 3.673 ( 0.000 6.348 0.000) 6.348 3.757 ( 0.000 -4.927 0.000) 4.927 3.901 ( 0.000 -2.642 0.000) 2.642 3.915 ( 0.000 1.030 -0.000) 1.030 4.037 ( 0.000 -2.630 0.000) 2.630 4.101 ( 0.000 0.377 0.000) 0.377 4.109 ( -0.000 -0.371 0.000) 0.371 4.133 ( 0.000 2.436 0.000) 2.436 4.263 ( 0.000 -2.816 0.000) 2.816 4.348 ( 0.000 9.661 0.000) 9.661 4.521 ( 0.000 3.816 0.000) 3.816 4.576 ( 0.000 1.360 0.000) 1.360 4.637 ( -0.000 1.117 0.000) 1.117 4.651 ( 0.000 -1.713 0.000) 1.713 4.667 ( -0.000 -0.164 -0.000) 0.164 4.678 ( 0.000 1.899 0.000) 1.899 4.699 ( 0.000 -0.890 0.000) 0.890 4.725 ( 0.000 0.091 0.000) 0.091 4.735 ( 0.000 -0.277 0.000) 0.277 4.765 ( -0.000 -1.940 0.000) 1.940 4.843 ( 0.000 -1.833 0.000) 1.833 4.942 ( -0.000 0.582 -0.000) 0.582 4.972 ( 0.000 2.201 0.000) 2.201 5.109 ( 0.000 -6.867 0.000) 6.867 5.149 ( 0.000 -1.357 0.000) 1.357 5.158 ( 0.000 -2.560 0.000) 2.560 5.211 ( 0.000 -0.939 0.000) 0.939 5.314 ( 0.000 0.945 0.000) 0.945 5.362 ( 0.000 -0.879 0.000) 0.879 5.443 ( 0.000 0.275 0.000) 0.275 5.527 ( -0.000 -5.564 0.000) 5.564 5.610 ( 0.000 2.819 -0.000) 2.819 5.664 ( 0.000 0.020 0.000) 0.020 5.718 ( 0.000 0.712 0.000) 0.712 5.791 ( 0.000 -1.216 0.000) 1.216 5.804 ( 0.000 0.774 0.000) 0.774 5.850 ( 0.000 -0.837 0.000) 0.837 5.996 ( 0.000 10.129 0.000) 10.129 6.188 ( 0.000 0.361 0.000) 0.361 6.229 ( 0.000 -0.637 0.000) 0.637 6.243 ( -0.000 -0.424 0.000) 0.424 6.276 ( -0.000 0.207 0.000) 0.207 6.285 ( 0.000 0.346 0.000) 0.346 6.315 ( 0.000 -0.421 0.000) 0.421 6.401 ( 0.000 -4.186 0.000) 4.186 6.555 ( 0.000 0.275 0.000) 0.275 6.571 ( 0.000 -0.383 0.000) 0.383 6.738 ( 0.000 0.386 0.000) 0.386 6.769 ( 0.000 -0.844 0.000) 0.844 6.878 ( 0.000 1.409 0.000) 1.409 6.917 ( 0.000 0.400 0.000) 0.400 6.941 ( 0.000 0.392 0.000) 0.392 6.977 ( 0.000 -0.611 0.000) 0.611 7.091 ( 0.000 -0.165 0.000) 0.165 7.094 ( 0.000 -0.320 0.000) 0.320 7.225 ( 0.000 0.841 0.000) 0.841 7.245 ( 0.000 0.061 0.000) 0.061 7.447 ( 0.000 0.584 0.000) 0.584 7.485 ( 0.000 -0.783 0.000) 0.783 7.540 ( -0.000 -0.080 0.000) 0.080 7.559 ( -0.000 -0.694 0.000) 0.694 7.599 ( 0.000 0.420 0.000) 0.420 7.603 ( 0.000 0.214 0.000) 0.214 7.944 ( 0.000 0.243 0.000) 0.243 7.965 ( 0.000 -0.515 0.000) 0.515 8.492 ( -0.000 0.500 0.000) 0.500 8.495 ( 0.000 0.103 0.000) 0.103 8.501 ( -0.000 -0.063 0.000) 0.063 8.515 ( 0.000 -0.297 0.000) 0.297 8.753 ( 0.000 0.098 0.000) 0.098 8.766 ( 0.000 -0.511 0.000) 0.511 8.793 ( -0.000 0.716 0.000) 0.716 8.803 ( 0.000 0.586 0.000) 0.586 8.826 ( 0.000 -0.027 0.000) 0.027 8.848 ( 0.000 -1.019 0.000) 1.019 8.868 ( 0.000 0.046 0.000) 0.046 8.874 ( 0.000 -0.023 0.000) 0.023 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 -11.345 0.000) 11.345 0.542 ( 0.000 11.345 0.000) 11.345 0.808 ( 0.000 -11.175 0.000) 11.175 0.808 ( 0.000 11.175 0.000) 11.175 1.001 ( 0.000 -12.886 0.000) 12.886 1.001 ( 0.000 12.886 0.000) 12.886 1.461 ( 0.000 -1.003 0.000) 1.003 1.461 ( 0.000 1.003 0.000) 1.003 1.568 ( 0.000 -0.898 0.000) 0.898 1.568 ( 0.000 0.898 0.000) 0.898 1.663 ( 0.000 -8.497 0.000) 8.497 1.663 ( 0.000 8.497 0.000) 8.497 2.337 ( 0.000 -0.136 0.000) 0.136 2.337 ( 0.000 0.136 0.000) 0.136 2.366 ( 0.000 -1.733 0.000) 1.733 2.366 ( 0.000 1.733 0.000) 1.733 3.322 ( 0.000 -0.992 0.000) 0.992 3.322 ( 0.000 0.992 0.000) 0.992 3.578 ( 0.000 -3.786 0.000) 3.786 3.578 ( 0.000 3.786 0.000) 3.786 3.885 ( 0.000 -6.578 0.000) 6.578 3.885 ( 0.000 6.578 0.000) 6.578 4.097 ( 0.000 -0.152 0.000) 0.152 4.097 ( 0.000 0.152 0.000) 0.152 4.104 ( 0.000 -2.079 0.000) 2.079 4.104 ( 0.000 2.079 0.000) 2.079 4.321 ( 0.000 -0.528 0.000) 0.528 4.321 ( 0.000 0.528 0.000) 0.528 4.347 ( 0.000 -0.552 0.000) 0.552 4.347 ( 0.000 0.552 0.000) 0.552 4.405 ( 0.000 -0.674 0.000) 0.674 4.405 ( 0.000 0.674 0.000) 0.674 4.576 ( 0.000 -3.988 0.000) 3.988 4.576 ( 0.000 3.988 0.000) 3.988 4.673 ( 0.000 -3.272 0.000) 3.272 4.673 ( 0.000 3.272 0.000) 3.272 4.729 ( 0.000 -5.724 0.000) 5.724 4.729 ( 0.000 5.724 0.000) 5.724 4.924 ( 0.000 -1.725 0.000) 1.725 4.924 ( 0.000 1.725 0.000) 1.725 5.066 ( 0.000 -1.861 0.000) 1.861 5.066 ( 0.000 1.861 0.000) 1.861 5.151 ( 0.000 -0.869 0.000) 0.869 5.151 ( 0.000 0.869 0.000) 0.869 5.204 ( 0.000 -0.531 0.000) 0.531 5.204 ( 0.000 0.531 0.000) 0.531 5.361 ( 0.000 -2.316 0.000) 2.316 5.361 ( 0.000 2.316 0.000) 2.316 5.445 ( 0.000 -2.483 0.000) 2.483 5.445 ( 0.000 2.483 0.000) 2.483 5.618 ( 0.000 -0.842 0.000) 0.842 5.618 ( 0.000 0.842 0.000) 0.842 5.814 ( 0.000 -1.094 0.000) 1.094 5.814 ( 0.000 1.094 0.000) 1.094 5.861 ( 0.000 -1.322 0.000) 1.322 5.861 ( 0.000 1.322 0.000) 1.322 6.167 ( 0.000 -4.605 0.000) 4.605 6.167 ( 0.000 4.605 0.000) 4.605 6.273 ( 0.000 -3.678 0.000) 3.678 6.273 ( 0.000 3.678 0.000) 3.678 6.438 ( 0.000 -1.342 0.000) 1.342 6.438 ( 0.000 1.342 0.000) 1.342 6.476 ( 0.000 -0.359 0.000) 0.359 6.476 ( 0.000 0.359 0.000) 0.359 6.563 ( 0.000 -1.038 0.000) 1.038 6.563 ( 0.000 1.038 0.000) 1.038 6.767 ( 0.000 -1.139 0.000) 1.139 6.767 ( 0.000 1.139 0.000) 1.139 6.805 ( 0.000 -0.461 0.000) 0.461 6.805 ( 0.000 0.461 0.000) 0.461 6.934 ( 0.000 -0.737 0.000) 0.737 6.934 ( 0.000 0.737 0.000) 0.737 7.084 ( 0.000 -1.366 0.000) 1.366 7.084 ( 0.000 1.366 0.000) 1.366 7.198 ( 0.000 -0.116 0.000) 0.116 7.198 ( 0.000 0.116 0.000) 0.116 7.299 ( 0.000 -1.245 0.000) 1.245 7.299 ( 0.000 1.245 0.000) 1.245 7.410 ( 0.000 -1.348 0.000) 1.348 7.410 ( 0.000 1.348 0.000) 1.348 7.741 ( 0.000 -1.069 0.000) 1.069 7.741 ( 0.000 1.069 0.000) 1.069 7.809 ( 0.000 -0.108 0.000) 0.108 7.809 ( 0.000 0.108 0.000) 0.108 8.456 ( 0.000 -0.874 0.000) 0.874 8.456 ( 0.000 0.874 0.000) 0.874 8.533 ( 0.000 -0.305 0.000) 0.305 8.533 ( 0.000 0.305 0.000) 0.305 8.743 ( 0.000 -0.355 0.000) 0.355 8.743 ( 0.000 0.355 0.000) 0.355 8.780 ( 0.000 -0.467 0.000) 0.467 8.780 ( 0.000 0.467 0.000) 0.467 8.835 ( 0.000 -1.685 0.000) 1.685 8.835 ( 0.000 1.685 0.000) 1.685 8.961 ( 0.000 -0.404 0.000) 0.404 8.961 ( 0.000 0.404 0.000) 0.404 ======================= Grid point 20 (12/63) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 9.318 -9.059 -4.130) 13.636 0.700 ( 9.318 9.059 -4.130) 13.636 0.871 ( 4.603 -11.228 6.001) 13.538 0.871 ( 4.603 11.228 6.001) 13.538 1.075 ( 11.621 -11.404 -2.461) 16.467 1.075 ( 11.621 11.404 -2.461) 16.467 1.477 ( 2.667 -1.223 -2.636) 3.944 1.477 ( 2.667 1.223 -2.636) 3.944 1.586 ( 0.436 -0.344 2.603) 2.661 1.586 ( 0.436 0.344 2.603) 2.661 1.674 ( 1.315 -6.130 -0.065) 6.270 1.674 ( 1.315 6.130 -0.065) 6.270 2.322 ( -2.016 -3.609 -0.803) 4.211 2.322 ( -2.016 3.609 -0.803) 4.211 2.374 ( 1.144 -5.215 0.764) 5.393 2.374 ( 1.144 5.215 0.764) 5.393 3.317 ( -0.693 -1.312 0.356) 1.526 3.317 ( -0.693 1.312 0.356) 1.526 3.574 ( -0.159 -3.754 0.146) 3.760 3.574 ( -0.159 3.754 0.146) 3.760 3.898 ( 0.985 -6.599 0.139) 6.673 3.898 ( 0.985 6.599 0.139) 6.673 4.035 ( -5.354 -2.241 0.535) 5.828 4.035 ( -5.354 2.241 0.535) 5.828 4.090 ( -0.712 -4.234 -1.255) 4.473 4.090 ( -0.712 4.234 -1.255) 4.473 4.319 ( 0.020 -0.628 -0.782) 1.003 4.319 ( 0.020 0.628 -0.782) 1.003 4.354 ( 0.209 -0.302 0.669) 0.763 4.354 ( 0.209 0.302 0.669) 0.763 4.445 ( 3.684 -0.297 -0.355) 3.713 4.445 ( 3.684 0.297 -0.355) 3.713 4.577 ( -0.174 -4.367 0.727) 4.431 4.577 ( -0.174 4.367 0.727) 4.431 4.675 ( 0.191 -2.228 -0.124) 2.240 4.675 ( 0.191 2.228 -0.124) 2.240 4.728 ( 0.065 -6.393 -0.134) 6.395 4.728 ( 0.065 6.393 -0.134) 6.395 4.922 ( -0.385 -1.577 0.447) 1.684 4.922 ( -0.385 1.577 0.447) 1.684 5.053 ( -1.635 -2.122 0.691) 2.766 5.053 ( -1.635 2.122 0.691) 2.766 5.133 ( -1.735 -1.638 0.531) 2.444 5.133 ( -1.735 1.638 0.531) 2.444 5.204 ( 0.085 -0.840 -0.492) 0.978 5.204 ( 0.085 0.840 -0.492) 0.978 5.366 ( 0.593 -1.184 -0.357) 1.372 5.366 ( 0.593 1.184 -0.357) 1.372 5.451 ( 1.114 -2.918 -1.655) 3.535 5.451 ( 1.114 2.918 -1.655) 3.535 5.640 ( 1.977 -0.714 0.196) 2.111 5.640 ( 1.977 0.714 0.196) 2.111 5.813 ( -0.395 -1.505 1.268) 2.007 5.813 ( -0.395 1.505 1.268) 2.007 5.860 ( 0.010 -1.257 -0.081) 1.260 5.860 ( 0.010 1.257 -0.081) 1.260 6.144 ( -2.862 -2.975 0.611) 4.173 6.144 ( -2.862 2.975 0.611) 4.173 6.259 ( -1.382 -5.317 -0.330) 5.504 6.259 ( -1.382 5.317 -0.330) 5.504 6.373 ( -5.072 -1.184 -0.684) 5.253 6.373 ( -5.072 1.184 -0.684) 5.253 6.491 ( 1.942 -0.345 -0.048) 1.973 6.491 ( 1.942 0.345 -0.048) 1.973 6.574 ( 0.347 -0.821 0.114) 0.898 6.574 ( 0.347 0.821 0.114) 0.898 6.752 ( -1.518 -1.288 -0.051) 1.991 6.752 ( -1.518 1.288 -0.051) 1.991 6.835 ( 2.362 -1.043 0.409) 2.614 6.835 ( 2.362 1.043 0.409) 2.614 6.936 ( 0.252 -0.671 -0.133) 0.729 6.936 ( 0.252 0.671 -0.133) 0.729 7.086 ( -0.006 -1.080 0.034) 1.081 7.086 ( -0.006 1.080 0.034) 1.081 7.223 ( 2.144 -0.387 0.032) 2.179 7.223 ( 2.144 0.387 0.032) 2.179 7.310 ( 1.384 -1.379 -0.043) 1.954 7.310 ( 1.384 1.379 -0.043) 1.954 7.383 ( -1.448 -0.982 -0.157) 1.757 7.383 ( -1.448 0.982 -0.157) 1.757 7.783 ( -0.204 -0.781 0.044) 0.808 7.783 ( -0.204 0.781 0.044) 0.808 7.800 ( 2.671 -1.438 -0.005) 3.034 7.800 ( 2.671 1.438 -0.005) 3.034 8.459 ( 0.310 -0.842 -0.055) 0.898 8.459 ( 0.310 0.842 -0.055) 0.898 8.535 ( 0.066 -0.119 0.025) 0.138 8.535 ( 0.066 0.119 0.025) 0.138 8.748 ( 0.247 -0.560 0.144) 0.629 8.748 ( 0.247 0.560 0.144) 0.629 8.785 ( 0.641 -0.297 -0.085) 0.712 8.785 ( 0.641 0.297 -0.085) 0.712 8.829 ( -0.513 -1.633 0.020) 1.712 8.829 ( -0.513 1.633 0.020) 1.712 8.950 ( -1.159 -0.430 -0.009) 1.236 8.950 ( -1.159 0.430 -0.009) 1.236 ======================= Grid point 22 (13/63) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.802 ( 5.687 -5.538 -0.947) 7.995 0.802 ( 5.687 5.538 -0.947) 7.995 0.991 ( 5.224 -4.878 2.773) 7.667 0.991 ( 5.224 4.878 2.773) 7.667 1.333 ( 9.496 -5.732 -2.178) 11.304 1.333 ( 9.496 5.732 -2.178) 11.304 1.510 ( 3.358 -3.217 -4.561) 6.514 1.510 ( 3.358 3.217 -4.561) 6.514 1.643 ( 4.097 -3.396 3.153) 6.185 1.643 ( 4.097 3.396 3.153) 6.185 1.730 ( 5.288 -3.230 1.788) 6.449 1.730 ( 5.288 3.230 1.788) 6.449 2.266 ( -2.204 -3.745 -1.605) 4.633 2.266 ( -2.204 3.745 -1.605) 4.633 2.395 ( -0.580 -5.163 1.019) 5.294 2.395 ( -0.580 5.163 1.019) 5.294 3.298 ( -1.647 -1.781 0.489) 2.475 3.298 ( -1.647 1.781 0.489) 2.475 3.587 ( 1.545 -3.850 0.418) 4.169 3.587 ( 1.545 3.850 0.418) 4.169 3.891 ( -2.855 -6.594 0.171) 7.187 3.891 ( -2.855 6.594 0.171) 7.187 3.962 ( -1.031 -2.242 -0.315) 2.488 3.962 ( -1.031 2.242 -0.315) 2.488 4.071 ( -0.073 -3.879 -0.769) 3.955 4.071 ( -0.073 3.879 -0.769) 3.955 4.297 ( -2.224 -0.264 -0.015) 2.239 4.297 ( -2.224 0.264 -0.015) 2.239 4.380 ( 3.212 -1.331 -0.957) 3.606 4.380 ( 3.212 1.331 -0.957) 3.606 4.514 ( 3.129 -2.099 0.444) 3.794 4.514 ( 3.129 2.099 0.444) 3.794 4.585 ( 0.531 -3.979 0.673) 4.071 4.585 ( 0.531 3.979 0.673) 4.071 4.675 ( -0.106 -1.060 -0.098) 1.070 4.675 ( -0.106 1.060 -0.098) 1.070 4.736 ( 0.913 -6.326 -0.126) 6.393 4.736 ( 0.913 6.326 -0.126) 6.393 4.917 ( -0.640 -1.032 0.493) 1.311 4.917 ( -0.640 1.032 0.493) 1.311 5.014 ( -3.563 -2.987 2.048) 5.081 5.014 ( -3.563 2.987 2.048) 5.081 5.104 ( -1.331 -2.831 -0.470) 3.163 5.104 ( -1.331 2.831 -0.470) 3.163 5.197 ( -0.243 -1.290 -0.692) 1.484 5.197 ( -0.243 1.290 -0.692) 1.484 5.368 ( -0.496 -0.078 0.084) 0.509 5.368 ( -0.496 0.078 0.084) 0.509 5.456 ( 1.338 -2.663 -2.830) 4.110 5.456 ( 1.338 2.663 -2.830) 4.110 5.673 ( 0.774 -0.199 -0.061) 0.801 5.673 ( 0.774 0.199 -0.061) 0.801 5.827 ( 0.225 -1.292 1.368) 1.895 5.827 ( 0.225 1.292 1.368) 1.895 5.857 ( -1.537 -2.540 1.593) 3.369 5.857 ( -1.537 2.540 1.593) 3.369 6.066 ( -3.899 -0.414 0.188) 3.926 6.066 ( -3.899 0.414 0.188) 3.926 6.222 ( -1.287 -6.535 -0.921) 6.723 6.222 ( -1.287 6.535 -0.921) 6.723 6.302 ( -1.619 -1.133 -0.577) 2.059 6.302 ( -1.619 1.133 -0.577) 2.059 6.529 ( 0.573 -0.178 0.019) 0.600 6.529 ( 0.573 0.178 0.019) 0.600 6.553 ( -2.134 -0.377 0.031) 2.168 6.553 ( -2.134 0.377 0.031) 2.168 6.728 ( -0.466 -1.096 -0.154) 1.201 6.728 ( -0.466 1.096 -0.154) 1.201 6.879 ( 1.653 -1.086 0.608) 2.069 6.879 ( 1.653 1.086 0.608) 2.069 6.940 ( 0.319 -0.524 -0.198) 0.645 6.940 ( 0.319 0.524 -0.198) 0.645 7.085 ( -0.108 -0.557 0.192) 0.599 7.085 ( -0.108 0.557 0.192) 0.599 7.249 ( 0.255 -0.852 -0.073) 0.892 7.249 ( 0.255 0.852 -0.073) 0.892 7.362 ( 3.882 -1.320 0.004) 4.100 7.362 ( 3.882 1.320 0.004) 4.100 7.395 ( 3.004 -0.402 -0.229) 3.040 7.395 ( 3.004 0.402 -0.229) 3.040 7.735 ( -3.241 -0.145 0.002) 3.244 7.735 ( -3.241 0.145 0.002) 3.244 7.881 ( 3.854 -0.719 0.077) 3.921 7.881 ( 3.854 0.719 0.077) 3.921 8.467 ( 0.636 -0.736 -0.069) 0.975 8.467 ( 0.636 0.736 -0.069) 0.975 8.532 ( -0.412 -0.074 0.008) 0.419 8.532 ( -0.412 0.074 0.008) 0.419 8.751 ( 0.015 -0.638 0.056) 0.640 8.751 ( 0.015 0.638 0.056) 0.640 8.804 ( 1.066 -0.200 -0.068) 1.086 8.804 ( 1.066 0.200 -0.068) 1.086 8.820 ( -0.325 -1.365 0.077) 1.406 8.820 ( -0.325 1.365 0.077) 1.406 8.919 ( -1.918 -0.471 -0.020) 1.975 8.919 ( -1.918 0.471 -0.020) 1.975 ======================= Grid point 24 (14/63) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 5.932 -6.250 1.751) 8.793 0.918 ( 5.932 6.250 1.751) 8.793 1.123 ( 5.937 -8.058 -0.658) 10.031 1.123 ( 5.937 8.058 -0.658) 10.031 1.362 ( -1.135 -5.842 0.098) 5.952 1.362 ( -1.135 5.842 0.098) 5.952 1.507 ( -0.354 -3.789 -4.000) 5.521 1.507 ( -0.354 3.789 -4.000) 5.521 1.722 ( 1.958 -2.057 1.358) 3.148 1.722 ( 1.958 2.057 1.358) 3.148 1.924 ( 8.800 -3.551 3.029) 9.961 1.924 ( 8.800 3.551 3.029) 9.961 2.233 ( 1.367 -2.963 -3.488) 4.776 2.233 ( 1.367 2.963 -3.488) 4.776 2.356 ( -4.387 -4.523 1.639) 6.511 2.356 ( -4.387 4.523 1.639) 6.511 3.268 ( -1.624 -1.955 0.344) 2.565 3.268 ( -1.624 1.955 0.344) 2.565 3.632 ( 2.176 -3.893 0.441) 4.482 3.632 ( 2.176 3.893 0.441) 4.482 3.834 ( -2.207 -5.918 0.002) 6.316 3.834 ( -2.207 5.918 0.002) 6.316 3.959 ( 0.295 -3.353 -0.552) 3.411 3.959 ( 0.295 3.353 -0.552) 3.411 4.082 ( 1.614 -2.474 -0.190) 2.960 4.082 ( 1.614 2.474 -0.190) 2.960 4.241 ( -3.313 -1.611 0.126) 3.686 4.241 ( -3.313 1.611 0.126) 3.686 4.469 ( 6.996 -2.752 -2.369) 7.882 4.469 ( 6.996 2.752 -2.369) 7.882 4.563 ( 1.404 -5.174 1.904) 5.689 4.563 ( 1.404 5.174 1.904) 5.689 4.613 ( 2.247 -1.162 0.025) 2.530 4.613 ( 2.247 1.162 0.025) 2.530 4.673 ( -0.238 -0.238 0.487) 0.592 4.673 ( -0.238 0.238 0.487) 0.592 4.753 ( 0.778 -5.257 -0.344) 5.325 4.753 ( 0.778 5.257 -0.344) 5.325 4.873 ( -5.833 -1.170 0.661) 5.986 4.873 ( -5.833 1.170 0.661) 5.986 4.973 ( -1.636 -3.403 2.285) 4.413 4.973 ( -1.636 3.403 2.285) 4.413 5.071 ( -1.132 -3.829 -1.569) 4.290 5.071 ( -1.132 3.829 -1.569) 4.290 5.187 ( -0.249 -1.492 -0.479) 1.586 5.187 ( -0.249 1.492 -0.479) 1.586 5.350 ( -1.142 -0.661 0.091) 1.323 5.350 ( -1.142 0.661 0.091) 1.323 5.458 ( 1.082 -1.951 -2.361) 3.248 5.458 ( 1.082 1.951 -2.361) 3.248 5.669 ( -0.990 -0.676 0.381) 1.258 5.669 ( -0.990 0.676 0.381) 1.258 5.792 ( -5.308 -3.273 2.083) 6.575 5.792 ( -5.308 3.273 2.083) 6.575 5.830 ( -0.250 -0.855 0.035) 0.892 5.830 ( -0.250 0.855 0.035) 0.892 6.093 ( 5.437 -0.649 0.579) 5.506 6.093 ( 5.437 0.649 0.579) 5.506 6.203 ( 0.174 -4.738 -1.208) 4.892 6.203 ( 0.174 4.738 -1.208) 4.892 6.283 ( -0.250 -2.956 -0.383) 2.991 6.283 ( -0.250 2.956 -0.383) 2.991 6.436 ( -7.396 -0.059 0.179) 7.398 6.436 ( -7.396 0.059 0.179) 7.398 6.560 ( 0.449 -0.188 -0.027) 0.487 6.560 ( 0.449 0.188 -0.027) 0.487 6.737 ( 1.145 -0.856 -0.089) 1.432 6.737 ( 1.145 0.856 -0.089) 1.432 6.904 ( 0.471 -0.940 0.404) 1.127 6.904 ( 0.471 0.940 0.404) 1.127 6.950 ( 0.800 -0.856 -0.126) 1.179 6.950 ( 0.800 0.856 -0.126) 1.179 7.087 ( 0.119 -0.209 0.160) 0.289 7.087 ( 0.119 0.209 0.160) 0.289 7.245 ( -0.270 -0.617 -0.126) 0.685 7.245 ( -0.270 0.617 -0.126) 0.685 7.434 ( 3.080 -1.020 -0.010) 3.244 7.434 ( 3.080 1.020 -0.010) 3.244 7.473 ( 4.786 -0.332 -0.116) 4.799 7.473 ( 4.786 0.332 -0.116) 4.799 7.666 ( -3.927 -0.083 0.023) 3.927 7.666 ( -3.927 0.083 0.023) 3.927 7.936 ( 1.801 -0.575 0.056) 1.892 7.936 ( 1.801 0.575 0.056) 1.892 8.482 ( 0.923 -0.542 -0.057) 1.072 8.482 ( 0.923 0.542 -0.057) 1.072 8.520 ( -0.846 -0.218 0.024) 0.873 8.520 ( -0.846 0.218 0.024) 0.873 8.753 ( 0.276 -0.437 -0.030) 0.518 8.753 ( 0.276 0.437 -0.030) 0.518 8.807 ( -0.105 -1.022 0.069) 1.030 8.807 ( -0.105 1.022 0.069) 1.030 8.829 ( 0.467 -0.361 -0.013) 0.591 8.829 ( 0.467 0.361 -0.013) 0.591 8.883 ( -1.481 -0.333 -0.022) 1.518 8.883 ( -1.481 0.333 -0.022) 1.518 ======================= Grid point 26 (15/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 -11.488 0.000) 11.488 1.010 ( -0.000 11.488 -0.000) 11.488 1.147 ( 0.000 -7.466 0.000) 7.466 1.147 ( 0.000 7.466 0.000) 7.466 1.389 ( 0.000 -5.843 0.000) 5.843 1.389 ( 0.000 5.843 0.000) 5.843 1.454 ( 0.000 -5.038 0.000) 5.038 1.454 ( -0.000 5.038 -0.000) 5.038 1.747 ( 0.000 -1.822 0.000) 1.822 1.747 ( 0.000 1.822 0.000) 1.822 2.023 ( 0.000 -4.786 -0.000) 4.786 2.023 ( 0.000 4.786 0.000) 4.786 2.259 ( 0.000 -4.622 0.000) 4.622 2.259 ( 0.000 4.622 0.000) 4.622 2.290 ( -0.000 -1.660 0.000) 1.660 2.290 ( 0.000 1.660 0.000) 1.660 3.252 ( 0.000 -1.963 0.000) 1.963 3.252 ( 0.000 1.963 0.000) 1.963 3.657 ( 0.000 -3.939 0.000) 3.939 3.657 ( 0.000 3.939 0.000) 3.939 3.814 ( 0.000 -5.717 0.000) 5.717 3.814 ( 0.000 5.717 0.000) 5.717 3.959 ( 0.000 -3.206 0.000) 3.206 3.959 ( 0.000 3.206 0.000) 3.206 4.108 ( 0.000 -0.158 0.000) 0.158 4.108 ( -0.000 0.158 0.000) 0.158 4.199 ( 0.000 -3.169 0.000) 3.169 4.199 ( 0.000 3.169 0.000) 3.169 4.531 ( 0.000 -5.010 0.000) 5.010 4.531 ( -0.000 5.010 0.000) 5.010 4.607 ( 0.000 -1.668 0.000) 1.668 4.607 ( 0.000 1.668 0.000) 1.668 4.666 ( 0.000 -1.246 0.000) 1.246 4.666 ( 0.000 1.246 0.000) 1.246 4.704 ( 0.000 -2.740 -0.000) 2.740 4.704 ( 0.000 2.740 0.000) 2.740 4.729 ( -0.000 -0.335 0.000) 0.335 4.729 ( -0.000 0.335 -0.000) 0.335 4.759 ( -0.000 -5.151 0.000) 5.151 4.759 ( 0.000 5.151 0.000) 5.151 4.974 ( 0.000 -2.970 0.000) 2.970 4.974 ( 0.000 2.970 0.000) 2.970 5.050 ( 0.000 -3.981 0.000) 3.981 5.050 ( 0.000 3.981 -0.000) 3.981 5.182 ( 0.000 -1.539 0.000) 1.539 5.182 ( 0.000 1.539 0.000) 1.539 5.338 ( 0.000 -1.231 0.000) 1.231 5.338 ( 0.000 1.231 0.000) 1.231 5.459 ( 0.000 -1.494 0.000) 1.494 5.459 ( -0.000 1.494 0.000) 1.494 5.656 ( 0.000 -1.123 -0.000) 1.123 5.656 ( 0.000 1.123 0.000) 1.123 5.748 ( 0.000 -2.125 0.000) 2.125 5.748 ( 0.000 2.125 0.000) 2.125 5.827 ( 0.000 -1.193 0.000) 1.193 5.827 ( 0.000 1.193 0.000) 1.193 6.173 ( 0.000 -4.285 0.000) 4.285 6.173 ( 0.000 4.285 0.000) 4.285 6.221 ( 0.000 -0.668 0.000) 0.668 6.221 ( 0.000 0.668 0.000) 0.668 6.288 ( -0.000 -0.611 0.000) 0.611 6.288 ( -0.000 0.611 0.000) 0.611 6.315 ( 0.000 -1.635 0.000) 1.635 6.315 ( 0.000 1.635 0.000) 1.635 6.563 ( 0.000 -0.370 0.000) 0.370 6.563 ( 0.000 0.370 0.000) 0.370 6.751 ( 0.000 -0.802 0.000) 0.802 6.751 ( 0.000 0.802 0.000) 0.802 6.908 ( 0.000 -1.171 0.000) 1.171 6.908 ( 0.000 1.171 0.000) 1.171 6.959 ( 0.000 -1.045 0.000) 1.045 6.959 ( 0.000 1.045 0.000) 1.045 7.089 ( 0.000 -0.059 0.000) 0.059 7.089 ( 0.000 0.059 0.000) 0.059 7.241 ( 0.000 -0.480 0.000) 0.480 7.241 ( 0.000 0.480 0.000) 0.480 7.465 ( 0.000 -0.964 0.000) 0.964 7.465 ( 0.000 0.964 0.000) 0.964 7.544 ( -0.000 -0.510 0.000) 0.510 7.544 ( -0.000 0.510 0.000) 0.510 7.605 ( 0.000 -0.063 0.000) 0.063 7.605 ( 0.000 0.063 0.000) 0.063 7.952 ( 0.000 -0.558 0.000) 0.558 7.952 ( 0.000 0.558 0.000) 0.558 8.497 ( -0.000 -0.103 0.000) 0.103 8.497 ( -0.000 0.103 0.000) 0.103 8.505 ( 0.000 -0.552 0.000) 0.552 8.505 ( 0.000 0.552 0.000) 0.552 8.757 ( 0.000 -0.276 0.000) 0.276 8.757 ( 0.000 0.276 0.000) 0.276 8.809 ( 0.000 -0.325 0.000) 0.325 8.809 ( 0.000 0.325 0.000) 0.325 8.827 ( -0.000 -0.490 0.000) 0.490 8.827 ( 0.000 0.490 0.000) 0.490 8.871 ( 0.000 -0.185 0.000) 0.185 8.871 ( 0.000 0.185 0.000) 0.185 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 9.664 0.000 10.269) 14.101 0.359 ( -9.262 0.000 18.385) 20.587 0.376 ( -4.553 0.000 19.024) 19.561 0.767 ( -3.868 0.000 -7.493) 8.432 1.188 ( -1.826 0.000 -4.604) 4.953 1.262 ( 3.822 0.000 -9.055) 9.828 1.418 ( 3.499 0.000 1.849) 3.957 1.432 ( 1.865 0.000 4.168) 4.566 1.435 ( -2.853 0.000 0.589) 2.913 1.606 ( 0.102 0.000 0.743) 0.750 1.651 ( 1.598 0.000 -2.968) 3.371 1.899 ( 1.476 0.000 -5.588) 5.780 2.196 ( -2.868 0.000 3.345) 4.406 2.240 ( -1.849 0.000 4.724) 5.073 2.397 ( 1.904 0.000 -1.937) 2.717 2.469 ( 0.893 0.000 -1.796) 2.005 3.364 ( -0.347 0.000 1.832) 1.864 3.435 ( 0.226 0.000 -0.533) 0.578 3.496 ( 0.554 0.000 -2.798) 2.853 3.592 ( 0.976 0.000 -4.331) 4.439 3.849 ( -0.520 0.000 3.336) 3.376 3.912 ( -1.739 0.000 3.476) 3.887 4.037 ( 0.325 0.000 -1.908) 1.935 4.066 ( -1.469 0.000 1.936) 2.431 4.177 ( 1.028 0.000 -2.598) 2.794 4.191 ( 1.018 0.000 -1.291) 1.644 4.267 ( 0.603 0.000 0.314) 0.679 4.277 ( -0.288 0.000 2.588) 2.604 4.315 ( -1.245 0.000 1.457) 1.916 4.381 ( 0.055 0.000 0.351) 0.355 4.383 ( 0.090 0.000 2.561) 2.562 4.411 ( -0.740 0.000 -0.170) 0.759 4.427 ( -0.758 0.000 2.058) 2.193 4.622 ( -0.026 0.000 0.119) 0.122 4.623 ( -1.121 0.000 0.631) 1.287 4.658 ( 1.014 0.000 -0.091) 1.018 4.697 ( -0.019 0.000 -0.263) 0.264 4.866 ( 0.114 0.000 -0.250) 0.275 4.871 ( 0.519 0.000 -0.611) 0.802 4.982 ( 0.096 0.000 0.945) 0.950 5.035 ( 0.156 0.000 -0.818) 0.832 5.069 ( 1.855 0.000 -7.897) 8.112 5.151 ( -0.561 0.000 1.796) 1.882 5.187 ( -0.592 0.000 0.114) 0.603 5.216 ( 1.130 0.000 0.717) 1.339 5.228 ( -0.755 0.000 0.084) 0.760 5.320 ( -2.415 0.000 0.992) 2.610 5.396 ( 0.242 0.000 0.234) 0.336 5.509 ( 1.881 0.000 -5.468) 5.782 5.526 ( 5.729 0.000 -3.642) 6.789 5.627 ( 0.816 0.000 -0.006) 0.816 5.649 ( -0.127 0.000 -0.433) 0.452 5.745 ( -4.581 0.000 2.681) 5.308 5.819 ( -0.157 0.000 1.455) 1.463 5.843 ( 0.261 0.000 0.130) 0.291 5.885 ( 0.520 0.000 -0.839) 0.988 5.927 ( -3.700 0.000 8.494) 9.265 6.195 ( -0.062 0.000 0.055) 0.083 6.259 ( -0.124 0.000 -0.251) 0.280 6.390 ( 0.554 0.000 -1.988) 2.063 6.429 ( 0.280 0.000 -1.454) 1.480 6.468 ( 0.924 0.000 -0.732) 1.179 6.470 ( -0.454 0.000 0.049) 0.457 6.487 ( 1.962 0.000 -0.823) 2.128 6.542 ( -1.192 0.000 1.294) 1.759 6.598 ( 0.098 0.000 -0.218) 0.239 6.738 ( -0.397 0.000 0.640) 0.753 6.781 ( -1.622 0.000 0.768) 1.795 6.801 ( 0.425 0.000 -0.925) 1.018 6.833 ( 2.951 0.000 -0.376) 2.975 6.905 ( -0.121 0.000 0.850) 0.859 6.937 ( -0.073 0.000 0.010) 0.074 7.058 ( 0.098 0.000 0.244) 0.262 7.089 ( 0.176 0.000 -0.444) 0.477 7.188 ( -0.256 0.000 0.251) 0.358 7.188 ( 0.090 0.000 0.221) 0.239 7.283 ( -1.091 0.000 0.232) 1.115 7.321 ( 0.541 0.000 -0.607) 0.813 7.378 ( -1.047 0.000 0.486) 1.154 7.447 ( 1.380 0.000 -1.261) 1.869 7.713 ( -1.578 0.000 1.177) 1.969 7.755 ( 0.371 0.000 0.165) 0.406 7.817 ( -0.028 0.000 -0.238) 0.239 7.818 ( 0.493 0.000 -0.338) 0.598 8.436 ( -0.269 0.000 0.401) 0.483 8.475 ( 0.211 0.000 -0.522) 0.563 8.532 ( 0.797 0.000 0.105) 0.804 8.541 ( 0.020 0.000 -0.134) 0.135 8.740 ( -0.157 0.000 0.425) 0.453 8.752 ( 0.522 0.000 -0.166) 0.548 8.762 ( 0.111 0.000 -0.306) 0.325 8.785 ( -0.007 0.000 -0.518) 0.518 8.802 ( -0.197 0.000 1.248) 1.264 8.875 ( 0.001 0.000 -0.701) 0.701 8.951 ( -0.182 0.000 0.267) 0.323 8.970 ( 0.209 0.000 -0.181) 0.276 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 0.866 0.000 14.892) 14.917 0.522 ( 4.215 0.000 15.149) 15.724 0.781 ( 29.765 0.000 5.561) 30.280 0.824 ( 12.991 0.000 -8.364) 15.451 1.090 ( -4.800 0.000 -4.704) 6.720 1.318 ( 11.007 0.000 -8.196) 13.723 1.356 ( -2.269 0.000 2.458) 3.345 1.519 ( 3.254 0.000 2.456) 4.077 1.539 ( 5.226 0.000 -1.269) 5.377 1.644 ( 2.460 0.000 2.433) 3.460 1.659 ( 1.915 0.000 -3.156) 3.692 1.899 ( 3.262 0.000 -6.093) 6.911 2.119 ( -7.583 0.000 2.989) 8.150 2.266 ( 0.323 0.000 4.402) 4.413 2.390 ( -1.250 0.000 -1.263) 1.777 2.490 ( 2.445 0.000 -1.770) 3.018 3.355 ( -1.985 0.000 1.925) 2.765 3.444 ( 0.842 0.000 -0.419) 0.941 3.481 ( 0.491 0.000 -2.930) 2.971 3.578 ( 1.227 0.000 -4.443) 4.609 3.874 ( -0.137 0.000 4.058) 4.061 3.893 ( -2.500 0.000 3.390) 4.212 3.988 ( -6.621 0.000 1.613) 6.815 4.034 ( 0.836 0.000 -2.038) 2.203 4.138 ( -3.996 0.000 -1.205) 4.174 4.157 ( -0.464 0.000 -3.129) 3.163 4.284 ( 0.583 0.000 0.635) 0.861 4.295 ( -3.206 0.000 4.655) 5.652 4.309 ( 2.315 0.000 0.075) 2.317 4.381 ( -2.063 0.000 -0.257) 2.079 4.405 ( -0.667 0.000 3.241) 3.309 4.444 ( 4.981 0.000 0.236) 4.987 4.469 ( 3.103 0.000 0.884) 3.227 4.604 ( -1.009 0.000 0.655) 1.203 4.630 ( 0.556 0.000 0.560) 0.789 4.670 ( 0.255 0.000 0.155) 0.298 4.698 ( 0.333 0.000 -0.461) 0.569 4.862 ( -0.154 0.000 -0.406) 0.434 4.878 ( 0.588 0.000 -0.274) 0.649 4.980 ( -1.023 0.000 1.116) 1.514 5.017 ( -1.115 0.000 -1.090) 1.559 5.043 ( 1.132 0.000 -6.210) 6.313 5.122 ( -2.858 0.000 0.669) 2.935 5.173 ( -0.817 0.000 -0.145) 0.830 5.222 ( 0.205 0.000 -0.524) 0.563 5.239 ( 0.690 0.000 0.471) 0.835 5.321 ( 2.097 0.000 -0.812) 2.249 5.397 ( -0.393 0.000 0.468) 0.611 5.494 ( 1.552 0.000 -6.349) 6.536 5.614 ( 4.546 0.000 -0.196) 4.550 5.641 ( 0.004 0.000 0.099) 0.099 5.654 ( 0.559 0.000 -0.087) 0.565 5.692 ( -1.453 0.000 1.062) 1.799 5.824 ( -0.838 0.000 1.259) 1.512 5.850 ( 0.126 0.000 0.342) 0.364 5.898 ( 2.079 0.000 -0.190) 2.087 5.919 ( -4.384 0.000 8.494) 9.559 6.160 ( -3.923 0.000 0.207) 3.929 6.226 ( -3.286 0.000 -0.172) 3.290 6.340 ( -5.265 0.000 -0.200) 5.269 6.403 ( 1.220 0.000 -3.863) 4.051 6.415 ( -6.627 0.000 -0.167) 6.630 6.486 ( 2.155 0.000 0.045) 2.155 6.498 ( 1.915 0.000 -0.189) 1.924 6.556 ( 0.746 0.000 0.895) 1.165 6.595 ( -0.374 0.000 -0.257) 0.454 6.719 ( -1.661 0.000 0.555) 1.751 6.779 ( -1.506 0.000 -0.694) 1.658 6.801 ( 2.425 0.000 0.095) 2.427 6.879 ( 1.158 0.000 0.261) 1.187 6.921 ( 1.512 0.000 0.357) 1.553 6.937 ( 0.062 0.000 -0.039) 0.073 7.069 ( 0.544 0.000 0.358) 0.651 7.094 ( 0.494 0.000 -0.492) 0.697 7.205 ( 0.688 0.000 0.397) 0.794 7.220 ( 2.910 0.000 -0.215) 2.918 7.272 ( 0.394 0.000 0.217) 0.449 7.337 ( 1.260 0.000 -0.266) 1.288 7.356 ( 0.525 0.000 -0.322) 0.615 7.425 ( -1.864 0.000 0.288) 1.886 7.756 ( 3.171 0.000 0.459) 3.204 7.771 ( -0.757 0.000 0.528) 0.923 7.799 ( -0.513 0.000 -0.474) 0.698 7.840 ( 3.114 0.000 -0.194) 3.120 8.438 ( 0.149 0.000 0.378) 0.406 8.477 ( 0.369 0.000 -0.458) 0.589 8.539 ( 0.048 0.000 -0.219) 0.224 8.540 ( -0.131 0.000 -0.105) 0.168 8.739 ( -0.215 0.000 0.412) 0.465 8.767 ( 0.930 0.000 -0.063) 0.933 8.769 ( 0.714 0.000 -0.322) 0.783 8.780 ( 0.120 0.000 -0.697) 0.708 8.807 ( -0.317 0.000 1.496) 1.529 8.863 ( -0.476 0.000 -0.871) 0.992 8.938 ( -1.370 0.000 0.182) 1.382 8.961 ( -0.933 0.000 -0.121) 0.941 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( 6.676 0.000 11.168) 13.011 0.752 ( 8.757 0.000 9.997) 13.290 0.931 ( -6.872 0.000 -2.275) 7.239 1.013 ( 12.130 0.000 -5.073) 13.148 1.322 ( 18.710 0.000 4.155) 19.166 1.378 ( 3.312 0.000 0.718) 3.389 1.503 ( 11.757 0.000 -9.528) 15.133 1.583 ( 1.791 0.000 1.396) 2.271 1.617 ( 5.460 0.000 -1.882) 5.776 1.647 ( 0.454 0.000 -3.936) 3.962 1.774 ( 8.077 0.000 4.137) 9.075 1.918 ( 3.895 0.000 -6.570) 7.637 1.985 ( -7.824 0.000 4.119) 8.842 2.302 ( -0.631 0.000 4.167) 4.215 2.337 ( -2.952 0.000 -1.288) 3.221 2.507 ( 0.164 0.000 -1.906) 1.913 3.326 ( -2.580 0.000 1.836) 3.167 3.451 ( 0.179 0.000 -0.413) 0.450 3.476 ( 1.506 0.000 -3.360) 3.682 3.560 ( 0.653 0.000 -3.760) 3.816 3.875 ( -4.793 0.000 3.913) 6.187 3.899 ( 0.763 0.000 3.429) 3.513 3.917 ( -0.097 0.000 1.845) 1.848 4.008 ( -2.677 0.000 -1.133) 2.907 4.080 ( 0.203 0.000 -2.205) 2.215 4.122 ( 0.084 0.000 -3.627) 3.628 4.268 ( -3.612 0.000 4.713) 5.938 4.277 ( -2.357 0.000 -0.778) 2.483 4.358 ( 0.430 0.000 1.917) 1.964 4.364 ( 1.889 0.000 1.788) 2.601 4.410 ( 0.219 0.000 1.178) 1.198 4.530 ( 2.643 0.000 0.307) 2.661 4.538 ( 4.388 0.000 -0.169) 4.391 4.611 ( 0.806 0.000 1.892) 2.056 4.652 ( 0.976 0.000 0.521) 1.107 4.674 ( 0.391 0.000 0.190) 0.435 4.699 ( 0.153 0.000 -0.684) 0.701 4.856 ( -0.155 0.000 -0.337) 0.371 4.887 ( 0.243 0.000 -0.264) 0.359 4.966 ( -1.447 0.000 0.845) 1.676 4.971 ( -3.749 0.000 0.733) 3.820 4.997 ( -2.046 0.000 -2.061) 2.904 5.094 ( 2.192 0.000 -5.229) 5.670 5.156 ( -0.752 0.000 -0.099) 0.758 5.218 ( -0.063 0.000 -1.169) 1.171 5.247 ( -0.067 0.000 0.008) 0.068 5.361 ( 2.680 0.000 -1.346) 2.999 5.390 ( -0.706 0.000 0.487) 0.857 5.468 ( 1.439 0.000 -6.756) 6.907 5.578 ( -6.781 0.000 3.027) 7.426 5.660 ( 0.053 0.000 -0.074) 0.091 5.679 ( 0.971 0.000 1.790) 2.037 5.735 ( 4.624 0.000 -3.407) 5.744 5.811 ( -1.208 0.000 1.169) 1.681 5.849 ( -0.277 0.000 0.245) 0.369 5.896 ( -4.786 0.000 7.810) 9.160 5.972 ( 4.578 0.000 1.382) 4.782 6.070 ( -3.600 0.000 0.280) 3.611 6.113 ( -8.075 0.000 0.402) 8.085 6.257 ( -2.746 0.000 -0.206) 2.753 6.308 ( -3.347 0.000 -0.364) 3.367 6.402 ( 1.774 0.000 -3.816) 4.209 6.530 ( -0.895 0.000 0.090) 0.900 6.533 ( 2.039 0.000 0.072) 2.040 6.548 ( -0.883 0.000 0.388) 0.964 6.558 ( -3.574 0.000 -0.351) 3.592 6.701 ( -0.237 0.000 0.428) 0.490 6.753 ( -0.339 0.000 -0.462) 0.573 6.850 ( 2.440 0.000 0.405) 2.473 6.886 ( -0.484 0.000 0.775) 0.913 6.938 ( 0.038 0.000 -0.036) 0.052 6.952 ( 1.312 0.000 -0.178) 1.324 7.081 ( 0.449 0.000 0.193) 0.489 7.095 ( 0.162 0.000 -0.463) 0.491 7.208 ( -0.133 0.000 0.261) 0.293 7.246 ( 0.326 0.000 -0.566) 0.653 7.330 ( 4.486 0.000 0.461) 4.510 7.384 ( 3.974 0.000 -0.175) 3.977 7.401 ( 3.596 0.000 -0.388) 3.617 7.425 ( 1.910 0.000 0.498) 1.974 7.731 ( -3.254 0.000 0.212) 3.261 7.732 ( -3.182 0.000 -0.068) 3.182 7.861 ( 4.196 0.000 -0.154) 4.199 7.911 ( 3.410 0.000 0.068) 3.410 8.449 ( 0.624 0.000 0.403) 0.743 8.482 ( 0.507 0.000 -0.374) 0.630 8.533 ( -0.620 0.000 0.035) 0.621 8.535 ( -0.326 0.000 -0.081) 0.336 8.740 ( 0.010 0.000 0.371) 0.371 8.768 ( -0.053 0.000 -0.446) 0.449 8.778 ( -0.005 0.000 0.249) 0.249 8.794 ( 1.517 0.000 -0.630) 1.643 8.821 ( 0.551 0.000 1.262) 1.377 8.847 ( -0.420 0.000 -0.870) 0.966 8.904 ( -2.104 0.000 0.042) 2.104 8.934 ( -1.743 0.000 -0.091) 1.745 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( -1.423 0.000 6.851) 6.997 0.843 ( 1.863 0.000 4.275) 4.663 0.998 ( 9.788 0.000 5.785) 11.369 1.204 ( 10.640 0.000 -2.764) 10.993 1.433 ( 3.110 0.000 0.244) 3.120 1.500 ( -5.645 0.000 -6.610) 8.692 1.535 ( 3.441 0.000 -1.177) 3.636 1.594 ( 1.380 0.000 -4.283) 4.500 1.649 ( 1.981 0.000 -0.280) 2.001 1.753 ( 5.747 0.000 -0.221) 5.751 1.858 ( -3.075 0.000 6.169) 6.893 1.953 ( 5.813 0.000 -4.576) 7.398 2.054 ( 9.793 0.000 1.660) 9.932 2.267 ( -2.638 0.000 -1.854) 3.224 2.307 ( -2.017 0.000 3.581) 4.110 2.455 ( -3.340 0.000 -2.100) 3.945 3.290 ( -2.470 0.000 1.651) 2.971 3.450 ( 0.126 0.000 0.010) 0.126 3.460 ( 0.134 0.000 -3.859) 3.861 3.567 ( 2.393 0.000 -2.511) 3.469 3.840 ( -1.096 0.000 2.107) 2.376 3.931 ( -1.047 0.000 2.737) 2.930 3.940 ( -1.184 0.000 -0.698) 1.375 3.991 ( 3.750 0.000 2.881) 4.729 4.082 ( 1.359 0.000 -2.218) 2.601 4.110 ( 1.149 0.000 -2.561) 2.807 4.196 ( -4.504 0.000 -1.104) 4.637 4.235 ( -3.010 0.000 3.266) 4.442 4.360 ( -3.206 0.000 4.024) 5.145 4.431 ( 4.417 0.000 3.393) 5.569 4.493 ( 6.960 0.000 -1.408) 7.100 4.588 ( 3.614 0.000 0.823) 3.707 4.601 ( 2.370 0.000 -0.299) 2.389 4.652 ( 1.292 0.000 1.770) 2.191 4.655 ( 0.062 0.000 -1.111) 1.113 4.691 ( -0.279 0.000 -0.133) 0.309 4.699 ( 1.103 0.000 0.444) 1.189 4.821 ( -7.067 0.000 -0.191) 7.069 4.851 ( -0.227 0.000 -0.175) 0.287 4.922 ( -4.330 0.000 0.255) 4.338 4.943 ( 0.150 0.000 2.293) 2.298 4.949 ( -1.364 0.000 -1.788) 2.249 5.108 ( 4.075 0.000 -6.870) 7.988 5.146 ( -0.371 0.000 0.247) 0.445 5.200 ( -0.467 0.000 -1.856) 1.913 5.236 ( -0.789 0.000 -0.433) 0.900 5.380 ( -0.685 0.000 0.221) 0.720 5.397 ( 2.401 0.000 -1.666) 2.922 5.436 ( -9.399 0.000 2.620) 9.757 5.446 ( 1.922 0.000 -6.485) 6.763 5.661 ( 0.129 0.000 0.269) 0.298 5.710 ( 1.336 0.000 0.978) 1.656 5.738 ( -1.145 0.000 -1.486) 1.876 5.801 ( -0.956 0.000 1.453) 1.740 5.851 ( -5.939 0.000 5.138) 7.853 5.856 ( 0.366 0.000 -0.149) 0.395 5.958 ( -6.275 0.000 4.832) 7.920 6.095 ( 5.636 0.000 -0.207) 5.640 6.116 ( 7.087 0.000 0.229) 7.090 6.225 ( -0.585 0.000 0.043) 0.586 6.267 ( -1.064 0.000 -0.497) 1.175 6.403 ( 0.826 0.000 -3.324) 3.426 6.432 ( -7.234 0.000 0.158) 7.236 6.442 ( -6.775 0.000 -0.600) 6.802 6.556 ( 0.002 0.000 0.159) 0.159 6.565 ( 0.921 0.000 -0.252) 0.955 6.718 ( 1.313 0.000 0.225) 1.332 6.761 ( 1.230 0.000 -0.413) 1.297 6.880 ( -0.838 0.000 1.110) 1.391 6.896 ( 1.652 0.000 0.666) 1.781 6.938 ( 0.021 0.000 0.001) 0.021 6.972 ( 1.022 0.000 -0.378) 1.089 7.088 ( 0.321 0.000 -0.099) 0.336 7.095 ( 0.144 0.000 -0.398) 0.423 7.213 ( 0.271 0.000 0.434) 0.512 7.244 ( -0.076 0.000 -0.131) 0.151 7.411 ( 3.161 0.000 0.414) 3.188 7.460 ( 3.199 0.000 -0.311) 3.214 7.474 ( 4.507 0.000 -0.238) 4.514 7.493 ( 4.325 0.000 0.062) 4.326 7.661 ( -4.037 0.000 0.037) 4.037 7.663 ( -3.951 0.000 -0.008) 3.951 7.921 ( 2.119 0.000 -0.031) 2.120 7.958 ( 1.477 0.000 -0.042) 1.477 8.468 ( 1.015 0.000 0.390) 1.087 8.490 ( 0.693 0.000 -0.258) 0.739 8.516 ( -1.169 0.000 0.164) 1.181 8.526 ( -0.553 0.000 -0.030) 0.554 8.747 ( 0.485 0.000 0.261) 0.551 8.768 ( 0.340 0.000 -0.375) 0.506 8.777 ( -0.144 0.000 0.434) 0.457 8.815 ( 1.044 0.000 -0.618) 1.213 8.830 ( -1.288 0.000 0.916) 1.581 8.838 ( 0.312 0.000 -0.793) 0.852 8.872 ( -0.559 0.000 -0.080) 0.565 8.899 ( -1.732 0.000 0.038) 1.733 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -3.132 0.000 5.195) 6.066 0.949 ( -0.202 0.000 8.816) 8.819 1.156 ( -4.321 0.000 5.159) 6.729 1.308 ( 2.740 0.000 -8.920) 9.332 1.356 ( 1.543 0.000 1.410) 2.091 1.475 ( -0.047 0.000 0.882) 0.884 1.552 ( -0.225 0.000 -7.480) 7.483 1.555 ( 0.839 0.000 -2.018) 2.186 1.696 ( 2.157 0.000 1.442) 2.594 1.740 ( -2.187 0.000 -5.918) 6.309 1.875 ( -0.682 0.000 6.590) 6.625 2.077 ( 6.618 0.000 2.514) 7.079 2.155 ( -2.168 0.000 -0.389) 2.202 2.218 ( -0.260 0.000 -3.129) 3.140 2.277 ( -3.937 0.000 1.833) 4.342 2.408 ( 1.842 0.000 -1.301) 2.255 3.266 ( -1.035 0.000 1.192) 1.579 3.449 ( 2.220 0.000 -3.206) 3.899 3.460 ( 0.462 0.000 0.792) 0.917 3.576 ( 0.474 0.000 -2.927) 2.965 3.854 ( 0.379 0.000 1.675) 1.717 3.919 ( -2.097 0.000 2.106) 2.972 3.922 ( 0.444 0.000 -0.840) 0.950 4.045 ( -3.634 0.000 0.860) 3.734 4.104 ( 0.676 0.000 0.484) 0.831 4.114 ( 0.094 0.000 0.148) 0.175 4.137 ( 3.553 0.000 -1.605) 3.898 4.220 ( 0.328 0.000 0.115) 0.348 4.335 ( -3.112 0.000 4.857) 5.768 4.497 ( -4.378 0.000 3.041) 5.331 4.573 ( 1.034 0.000 1.406) 1.745 4.623 ( 0.083 0.000 -0.178) 0.197 4.645 ( -1.092 0.000 -0.876) 1.400 4.661 ( 0.206 0.000 -0.782) 0.809 4.692 ( 1.137 0.000 1.236) 1.679 4.699 ( -0.429 0.000 -0.800) 0.908 4.728 ( 2.219 0.000 0.245) 2.232 4.744 ( 5.243 0.000 0.653) 5.284 4.773 ( -5.609 0.000 -1.152) 5.726 4.863 ( -0.054 0.000 0.424) 0.427 4.911 ( -1.069 0.000 -1.309) 1.690 4.983 ( 1.583 0.000 2.505) 2.964 5.130 ( 4.043 0.000 -7.120) 8.188 5.146 ( 0.190 0.000 0.513) 0.547 5.180 ( 0.852 0.000 -2.947) 3.068 5.213 ( -1.041 0.000 -0.783) 1.302 5.322 ( -3.433 0.000 1.614) 3.793 5.372 ( -0.374 0.000 0.084) 0.383 5.427 ( 1.705 0.000 -1.590) 2.331 5.441 ( 3.052 0.000 -5.541) 6.326 5.670 ( 0.250 0.000 0.809) 0.847 5.705 ( -1.347 0.000 -0.457) 1.422 5.753 ( 2.531 0.000 1.140) 2.776 5.791 ( -1.726 0.000 2.099) 2.718 5.799 ( -0.417 0.000 1.105) 1.181 5.852 ( -0.212 0.000 -0.692) 0.723 5.922 ( -3.732 0.000 7.897) 8.734 6.184 ( 0.807 0.000 0.077) 0.810 6.227 ( -3.463 0.000 -0.712) 3.536 6.254 ( 3.308 0.000 0.499) 3.346 6.273 ( 1.653 0.000 -0.189) 1.664 6.284 ( -2.005 0.000 0.227) 2.018 6.317 ( -0.141 0.000 -0.276) 0.310 6.410 ( 1.624 0.000 -3.886) 4.211 6.555 ( -0.104 0.000 0.232) 0.255 6.571 ( 0.063 0.000 -0.390) 0.395 6.736 ( 0.030 0.000 0.238) 0.240 6.773 ( 0.125 0.000 -0.663) 0.674 6.877 ( -0.463 0.000 1.453) 1.525 6.916 ( -0.175 0.000 0.661) 0.684 6.939 ( -0.020 0.000 0.102) 0.104 6.979 ( 0.024 0.000 -0.494) 0.495 7.090 ( 0.012 0.000 -0.249) 0.249 7.094 ( 0.137 0.000 -0.356) 0.381 7.221 ( 0.093 0.000 0.642) 0.649 7.245 ( 0.240 0.000 0.121) 0.269 7.445 ( -0.123 0.000 0.445) 0.461 7.489 ( 0.105 0.000 -0.499) 0.510 7.541 ( -0.245 0.000 -0.061) 0.252 7.561 ( -0.789 0.000 -0.525) 0.948 7.596 ( 0.464 0.000 0.204) 0.507 7.600 ( 0.301 0.000 0.058) 0.307 7.944 ( 0.245 0.000 0.245) 0.346 7.968 ( -0.245 0.000 -0.331) 0.412 8.490 ( -0.167 0.000 0.464) 0.493 8.495 ( -0.033 0.000 0.119) 0.124 8.501 ( 0.257 0.000 -0.047) 0.261 8.517 ( -0.063 0.000 -0.135) 0.149 8.754 ( -0.181 0.000 0.212) 0.279 8.771 ( 0.157 0.000 -0.284) 0.324 8.785 ( 0.351 0.000 0.071) 0.358 8.800 ( -1.277 0.000 0.627) 1.423 8.820 ( 0.137 0.000 -0.566) 0.582 8.850 ( 1.624 0.000 -0.819) 1.819 8.874 ( 0.149 0.000 0.166) 0.222 8.875 ( -0.938 0.000 0.323) 0.992 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -6.839 0.000 6.554) 9.473 0.925 ( -16.198 0.000 1.979) 16.319 0.990 ( -0.957 0.000 8.146) 8.202 1.303 ( -6.086 0.000 0.820) 6.141 1.413 ( 6.028 0.000 -3.573) 7.007 1.430 ( -5.382 0.000 1.083) 5.490 1.512 ( -5.708 0.000 -1.778) 5.979 1.517 ( 3.584 0.000 -8.288) 9.029 1.651 ( -1.076 0.000 -4.988) 5.103 1.733 ( 0.265 0.000 0.690) 0.739 1.944 ( 1.475 0.000 8.175) 8.307 1.986 ( -12.804 0.000 -1.943) 12.951 2.156 ( -6.464 0.000 -0.792) 6.513 2.214 ( 4.581 0.000 3.006) 5.479 2.230 ( 1.929 0.000 -2.805) 3.405 2.471 ( 4.005 0.000 -1.239) 4.192 3.274 ( 0.846 0.000 0.896) 1.232 3.475 ( 0.089 0.000 0.941) 0.945 3.495 ( 5.012 0.000 -3.642) 6.195 3.543 ( -1.094 0.000 -2.294) 2.542 3.861 ( -2.170 0.000 3.369) 4.008 3.903 ( 0.153 0.000 0.070) 0.168 3.934 ( -3.113 0.000 -0.336) 3.131 3.952 ( -0.334 0.000 0.498) 0.599 4.111 ( 0.753 0.000 -1.112) 1.343 4.118 ( 0.307 0.000 0.233) 0.386 4.235 ( 5.260 0.000 0.376) 5.274 4.247 ( 2.290 0.000 -0.404) 2.326 4.319 ( -2.989 0.000 5.469) 6.232 4.377 ( -6.819 0.000 1.470) 6.976 4.537 ( -8.301 0.000 0.359) 8.309 4.585 ( -2.571 0.000 0.498) 2.619 4.605 ( -1.833 0.000 -0.239) 1.848 4.624 ( -1.202 0.000 0.935) 1.522 4.650 ( -1.335 0.000 -0.926) 1.625 4.658 ( -0.851 0.000 -1.425) 1.659 4.734 ( -0.322 0.000 1.377) 1.415 4.855 ( 5.543 0.000 0.748) 5.593 4.865 ( 0.918 0.000 0.227) 0.946 4.890 ( 0.171 0.000 -0.190) 0.255 4.897 ( 4.123 0.000 -0.616) 4.169 5.040 ( 1.939 0.000 2.902) 3.490 5.142 ( 3.332 0.000 -7.724) 8.412 5.164 ( 0.565 0.000 1.180) 1.308 5.188 ( -0.806 0.000 -0.542) 0.971 5.204 ( 4.661 0.000 -3.718) 5.962 5.312 ( 1.524 0.000 -0.593) 1.635 5.371 ( 0.344 0.000 -0.313) 0.465 5.431 ( 0.423 0.000 -1.435) 1.496 5.472 ( 3.098 0.000 -3.114) 4.393 5.676 ( -1.429 0.000 -0.458) 1.501 5.683 ( 0.681 0.000 0.398) 0.789 5.804 ( -0.300 0.000 2.316) 2.335 5.827 ( 2.546 0.000 1.294) 2.856 5.833 ( 3.733 0.000 0.583) 3.779 5.849 ( 1.633 0.000 0.431) 1.689 5.928 ( -1.877 0.000 6.721) 6.979 6.100 ( -5.907 0.000 -0.361) 5.918 6.104 ( -6.811 0.000 0.301) 6.818 6.226 ( 1.060 0.000 0.089) 1.063 6.274 ( 0.917 0.000 -0.181) 0.934 6.407 ( 1.863 0.000 -4.199) 4.594 6.429 ( 6.894 0.000 0.030) 6.894 6.438 ( 7.708 0.000 0.081) 7.708 6.555 ( -0.173 0.000 0.141) 0.223 6.562 ( -0.772 0.000 -0.230) 0.805 6.723 ( -1.428 0.000 0.426) 1.490 6.758 ( -0.676 0.000 -0.651) 0.938 6.883 ( -0.265 0.000 1.282) 1.310 6.902 ( -1.818 0.000 0.860) 2.011 6.939 ( -0.017 0.000 0.050) 0.053 6.964 ( -1.029 0.000 -0.696) 1.242 7.084 ( -0.423 0.000 -0.263) 0.498 7.094 ( 0.168 0.000 -0.345) 0.383 7.226 ( -0.171 0.000 0.774) 0.793 7.255 ( 0.673 0.000 0.078) 0.677 7.414 ( -3.448 0.000 0.527) 3.488 7.457 ( -2.843 0.000 -0.487) 2.884 7.472 ( -4.454 0.000 -0.101) 4.455 7.473 ( -5.067 0.000 -0.522) 5.094 7.664 ( 3.822 0.000 0.113) 3.823 7.666 ( 4.064 0.000 0.021) 4.064 7.933 ( -1.814 0.000 0.526) 1.889 7.945 ( -1.769 0.000 -0.628) 1.877 8.469 ( -1.263 0.000 0.382) 1.319 8.494 ( -0.543 0.000 -0.139) 0.560 8.517 ( 1.042 0.000 0.181) 1.058 8.527 ( 0.779 0.000 -0.027) 0.780 8.745 ( -0.736 0.000 0.163) 0.754 8.769 ( -0.027 0.000 -0.301) 0.302 8.775 ( -0.471 0.000 0.276) 0.546 8.807 ( 0.116 0.000 -0.066) 0.134 8.817 ( -0.128 0.000 -0.491) 0.508 8.864 ( -0.417 0.000 0.393) 0.573 8.882 ( 0.831 0.000 0.397) 0.921 8.884 ( 2.388 0.000 -0.671) 2.481 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -13.459 0.000 9.271) 16.344 0.638 ( -16.259 0.000 5.361) 17.120 1.087 ( 5.602 0.000 4.249) 7.032 1.183 ( -5.565 0.000 0.160) 5.567 1.199 ( -20.966 0.000 -1.514) 21.020 1.367 ( -6.395 0.000 1.493) 6.567 1.447 ( -0.317 0.000 -2.467) 2.487 1.539 ( 3.345 0.000 -6.433) 7.250 1.608 ( -1.409 0.000 -2.482) 2.855 1.650 ( -17.025 0.000 -3.479) 17.377 1.716 ( -2.571 0.000 0.788) 2.689 2.024 ( -4.533 0.000 -3.020) 5.447 2.067 ( 3.743 0.000 6.906) 7.855 2.266 ( 1.199 0.000 1.274) 1.749 2.291 ( 3.045 0.000 -0.833) 3.157 2.506 ( 0.762 0.000 -1.835) 1.987 3.306 ( 1.609 0.000 0.880) 1.834 3.469 ( -1.135 0.000 0.193) 1.151 3.500 ( 0.349 0.000 -3.163) 3.182 3.576 ( 4.374 0.000 -2.919) 5.259 3.843 ( -1.976 0.000 3.095) 3.672 3.874 ( -1.653 0.000 2.503) 3.000 3.929 ( 2.256 0.000 1.045) 2.486 4.005 ( 3.953 0.000 -1.148) 4.117 4.112 ( 0.510 0.000 -1.299) 1.395 4.134 ( 1.819 0.000 -1.258) 2.212 4.285 ( -0.402 0.000 3.708) 3.730 4.287 ( -2.100 0.000 -0.126) 2.104 4.307 ( -1.227 0.000 1.940) 2.295 4.338 ( 3.255 0.000 1.305) 3.507 4.413 ( -4.257 0.000 0.640) 4.305 4.534 ( -4.703 0.000 -0.463) 4.725 4.540 ( -3.162 0.000 0.496) 3.200 4.621 ( -0.566 0.000 1.988) 2.067 4.626 ( -0.003 0.000 -0.429) 0.429 4.645 ( -0.265 0.000 -1.154) 1.184 4.726 ( -1.169 0.000 0.431) 1.246 4.870 ( 0.092 0.000 -0.942) 0.946 4.872 ( -0.080 0.000 0.256) 0.268 4.939 ( 1.387 0.000 -0.177) 1.398 4.962 ( 3.537 0.000 0.759) 3.617 5.094 ( 1.251 0.000 2.285) 2.605 5.129 ( 1.960 0.000 -7.430) 7.684 5.180 ( 0.290 0.000 -0.343) 0.449 5.181 ( 0.302 0.000 1.047) 1.090 5.247 ( 0.747 0.000 -0.153) 0.763 5.360 ( 3.849 0.000 -3.076) 4.927 5.386 ( 3.052 0.000 -2.493) 3.941 5.417 ( -1.915 0.000 1.110) 2.213 5.500 ( 2.701 0.000 -3.767) 4.636 5.644 ( -1.443 0.000 -0.277) 1.470 5.694 ( -0.235 0.000 0.177) 0.294 5.820 ( -0.224 0.000 2.301) 2.312 5.834 ( 0.005 0.000 -0.293) 0.293 5.872 ( -0.644 0.000 0.128) 0.656 5.888 ( -4.148 0.000 3.426) 5.380 5.927 ( -3.437 0.000 5.804) 6.745 6.062 ( 4.358 0.000 -0.053) 4.359 6.106 ( 6.920 0.000 -0.117) 6.921 6.269 ( 3.384 0.000 0.410) 3.409 6.303 ( 2.587 0.000 -0.553) 2.646 6.405 ( 1.636 0.000 -4.267) 4.570 6.520 ( -1.436 0.000 0.041) 1.436 6.529 ( 2.274 0.000 0.215) 2.285 6.542 ( -0.782 0.000 -0.069) 0.785 6.569 ( 3.218 0.000 0.114) 3.220 6.707 ( -0.254 0.000 0.646) 0.694 6.754 ( 0.961 0.000 -0.670) 1.172 6.869 ( -2.305 0.000 1.195) 2.596 6.882 ( -0.792 0.000 0.536) 0.956 6.933 ( -1.458 0.000 -0.757) 1.643 6.939 ( 0.027 0.000 0.045) 0.053 7.072 ( -0.613 0.000 -0.135) 0.628 7.095 ( 0.223 0.000 -0.338) 0.405 7.225 ( -0.750 0.000 0.654) 0.995 7.267 ( 0.147 0.000 -0.212) 0.258 7.338 ( -4.332 0.000 0.966) 4.438 7.387 ( -2.769 0.000 -0.777) 2.876 7.388 ( -3.471 0.000 -0.698) 3.540 7.395 ( -3.117 0.000 0.293) 3.131 7.729 ( 2.854 0.000 0.107) 2.856 7.738 ( 3.408 0.000 0.109) 3.410 7.880 ( -4.268 0.000 0.734) 4.331 7.890 ( -3.242 0.000 -0.853) 3.352 8.452 ( -0.921 0.000 0.455) 1.028 8.484 ( -0.306 0.000 -0.296) 0.426 8.534 ( 0.604 0.000 0.048) 0.606 8.538 ( 0.355 0.000 -0.036) 0.356 8.737 ( -0.287 0.000 0.242) 0.376 8.768 ( 0.258 0.000 -0.382) 0.461 8.772 ( -0.101 0.000 -0.240) 0.260 8.795 ( -0.962 0.000 0.374) 1.032 8.804 ( -0.854 0.000 -0.213) 0.880 8.866 ( 0.388 0.000 0.034) 0.390 8.912 ( 1.600 0.000 0.411) 1.652 8.925 ( 2.219 0.000 -0.500) 2.275 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( -13.853 0.000 10.866) 17.606 0.420 ( -13.427 0.000 13.079) 18.745 0.679 ( -31.385 0.000 2.944) 31.523 1.037 ( -13.876 0.000 -1.406) 13.947 1.236 ( 5.847 0.000 -4.397) 7.316 1.286 ( -1.663 0.000 5.668) 5.906 1.296 ( -4.277 0.000 -6.964) 8.172 1.421 ( -2.235 0.000 0.346) 2.261 1.539 ( -4.480 0.000 -0.917) 4.573 1.596 ( 3.088 0.000 -3.963) 5.024 1.667 ( -2.414 0.000 0.300) 2.432 1.941 ( -1.115 0.000 -4.869) 4.995 2.172 ( 1.708 0.000 4.867) 5.158 2.259 ( -3.552 0.000 4.681) 5.877 2.353 ( 4.575 0.000 -3.052) 5.500 2.485 ( -0.731 0.000 -1.902) 2.038 3.342 ( 1.139 0.000 1.168) 1.631 3.446 ( -0.928 0.000 -0.257) 0.963 3.498 ( 1.520 0.000 -2.754) 3.146 3.603 ( 1.420 0.000 -3.669) 3.935 3.839 ( -1.016 0.000 2.865) 3.040 3.895 ( 0.244 0.000 3.516) 3.524 4.009 ( 4.174 0.000 2.076) 4.662 4.047 ( 0.753 0.000 -1.493) 1.672 4.137 ( 3.974 0.000 -1.566) 4.271 4.162 ( 2.425 0.000 -2.382) 3.399 4.261 ( -0.363 0.000 0.009) 0.363 4.278 ( -2.871 0.000 5.031) 5.793 4.317 ( 0.746 0.000 -0.580) 0.945 4.375 ( -1.791 0.000 2.925) 3.430 4.394 ( 1.289 0.000 0.298) 1.323 4.443 ( -4.190 0.000 0.180) 4.194 4.471 ( -4.212 0.000 0.820) 4.291 4.627 ( -0.426 0.000 0.290) 0.515 4.628 ( -0.365 0.000 1.515) 1.558 4.638 ( 1.163 0.000 -1.117) 1.613 4.706 ( -0.770 0.000 -0.183) 0.792 4.868 ( 0.382 0.000 -0.783) 0.871 4.869 ( -0.261 0.000 -0.093) 0.277 4.963 ( 1.110 0.000 0.447) 1.196 5.019 ( 2.086 0.000 -0.288) 2.106 5.100 ( 1.933 0.000 -8.163) 8.388 5.130 ( 0.426 0.000 2.310) 2.349 5.191 ( -0.106 0.000 0.683) 0.691 5.191 ( 0.902 0.000 0.182) 0.920 5.243 ( -0.979 0.000 0.559) 1.127 5.374 ( -3.886 0.000 2.225) 4.478 5.385 ( 0.882 0.000 -0.222) 0.909 5.449 ( 6.041 0.000 -5.287) 8.028 5.512 ( 2.226 0.000 -4.789) 5.281 5.623 ( -0.614 0.000 0.235) 0.658 5.671 ( -1.598 0.000 -0.352) 1.636 5.803 ( -5.029 0.000 3.288) 6.008 5.817 ( -0.679 0.000 0.667) 0.951 5.840 ( -0.118 0.000 -0.030) 0.122 5.873 ( 0.879 0.000 0.235) 0.909 5.925 ( -3.136 0.000 7.913) 8.511 6.160 ( 3.736 0.000 0.286) 3.747 6.229 ( 3.992 0.000 -0.178) 3.996 6.361 ( 4.588 0.000 0.780) 4.654 6.382 ( 6.641 0.000 -1.439) 6.795 6.405 ( 2.279 0.000 -4.020) 4.621 6.481 ( -1.704 0.000 0.208) 1.717 6.498 ( -1.968 0.000 -0.182) 1.976 6.553 ( -0.633 0.000 0.655) 0.911 6.599 ( -0.073 0.000 0.089) 0.115 6.723 ( 0.998 0.000 0.702) 1.220 6.780 ( 2.038 0.000 -0.833) 2.201 6.830 ( -3.187 0.000 1.350) 3.462 6.845 ( -2.711 0.000 -1.115) 2.932 6.908 ( -0.872 0.000 0.613) 1.065 6.939 ( -0.114 0.000 0.052) 0.125 7.061 ( -0.458 0.000 0.100) 0.469 7.094 ( -0.142 0.000 -0.372) 0.399 7.204 ( -1.587 0.000 0.221) 1.602 7.226 ( -3.371 0.000 0.110) 3.372 7.297 ( -1.352 0.000 1.162) 1.783 7.333 ( -1.318 0.000 -0.911) 1.602 7.373 ( 0.035 0.000 0.941) 0.942 7.389 ( 3.785 0.000 -1.322) 4.010 7.766 ( 0.186 0.000 0.299) 0.353 7.778 ( -3.257 0.000 1.373) 3.534 7.804 ( -0.229 0.000 -0.243) 0.334 7.823 ( -1.841 0.000 -1.015) 2.102 8.441 ( -0.579 0.000 0.463) 0.741 8.478 ( -0.045 0.000 -0.422) 0.425 8.536 ( -0.505 0.000 -0.342) 0.610 8.541 ( 0.182 0.000 -0.067) 0.194 8.737 ( 0.015 0.000 0.374) 0.374 8.758 ( -0.686 0.000 -0.512) 0.856 8.767 ( -0.178 0.000 -0.365) 0.406 8.789 ( -0.277 0.000 -0.252) 0.374 8.794 ( 0.012 0.000 1.030) 1.030 8.874 ( 0.501 0.000 -0.382) 0.630 8.941 ( 0.968 0.000 0.335) 1.025 8.956 ( 1.355 0.000 -0.317) 1.392 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( -3.367 12.526 -0.058) 12.971 0.389 ( 5.927 12.055 5.576) 14.545 0.701 ( -3.458 -5.834 -5.116) 8.495 0.755 ( -5.320 17.467 13.887) 22.940 1.079 ( 4.535 -13.272 -7.622) 15.962 1.204 ( -1.570 -0.137 -2.899) 3.299 1.392 ( 1.848 -0.005 -0.868) 2.042 1.441 ( -2.865 -0.708 1.418) 3.275 1.521 ( 2.740 2.977 -0.725) 4.110 1.586 ( 2.579 -3.051 -2.842) 4.903 1.618 ( -1.394 1.215 2.925) 3.460 1.868 ( -0.995 -4.224 0.865) 4.425 2.167 ( 0.481 1.565 -2.487) 2.978 2.329 ( -0.680 1.802 1.330) 2.341 2.357 ( 0.775 -0.516 -0.962) 1.339 2.470 ( 0.015 -0.540 0.728) 0.906 3.359 ( -0.737 -0.395 2.844) 2.964 3.386 ( -0.370 -2.668 0.982) 2.867 3.520 ( 0.116 2.137 -1.112) 2.412 3.666 ( 0.349 2.527 -3.301) 4.172 3.751 ( 0.252 -2.272 2.675) 3.519 3.976 ( 0.516 -2.867 -1.608) 3.327 4.000 ( -0.490 1.944 0.273) 2.023 4.096 ( -2.250 1.867 2.894) 4.114 4.124 ( 1.782 -2.548 -2.272) 3.851 4.211 ( -0.833 -1.768 1.152) 2.269 4.253 ( 0.682 2.211 -1.562) 2.791 4.299 ( 0.172 0.282 -1.567) 1.601 4.338 ( 0.102 1.714 1.987) 2.626 4.369 ( 0.325 -0.354 1.343) 1.426 4.390 ( -0.775 0.212 0.368) 0.884 4.407 ( -0.343 -0.159 -0.402) 0.552 4.482 ( -0.617 4.424 2.387) 5.065 4.619 ( -0.254 1.000 0.883) 1.358 4.633 ( 0.841 -1.588 -0.116) 1.800 4.659 ( -0.424 1.688 -0.144) 1.746 4.700 ( -0.097 -0.118 -0.229) 0.275 4.830 ( 0.247 -3.666 -1.454) 3.952 4.888 ( 0.447 1.431 -0.171) 1.509 4.964 ( 0.134 -1.468 0.717) 1.640 5.029 ( 0.790 -0.620 -1.836) 2.093 5.045 ( 2.432 -2.277 -6.813) 7.584 5.160 ( -0.507 0.902 1.928) 2.188 5.195 ( -0.871 0.608 1.049) 1.493 5.205 ( 0.739 -0.602 0.799) 1.243 5.224 ( -0.467 -0.325 0.564) 0.801 5.333 ( -2.159 1.139 0.942) 2.617 5.399 ( 0.454 -0.690 -0.263) 0.867 5.431 ( 1.038 -1.302 -0.844) 1.867 5.570 ( -1.400 -1.292 1.049) 2.174 5.620 ( -0.682 -1.811 1.917) 2.724 5.642 ( -1.191 -2.576 1.691) 3.304 5.704 ( 2.807 4.592 -3.954) 6.679 5.823 ( 0.784 -0.488 -0.242) 0.955 5.843 ( 0.120 0.088 -0.019) 0.150 5.875 ( 0.359 -1.027 -1.195) 1.616 6.040 ( -1.998 6.610 4.227) 8.096 6.193 ( 0.057 -0.333 -0.237) 0.412 6.256 ( -0.170 -0.163 0.037) 0.238 6.343 ( 1.784 -3.836 -3.263) 5.343 6.426 ( -0.945 0.979 0.900) 1.631 6.467 ( 0.000 -0.282 -0.061) 0.288 6.474 ( -0.596 0.313 0.248) 0.718 6.503 ( 0.254 0.220 0.791) 0.860 6.546 ( -0.452 0.502 0.652) 0.939 6.585 ( 0.145 -0.908 0.054) 0.921 6.748 ( -0.228 0.833 0.481) 0.989 6.782 ( -0.333 -0.134 0.267) 0.448 6.798 ( -0.182 -0.091 -0.499) 0.538 6.818 ( 1.364 -0.728 0.119) 1.551 6.913 ( -0.162 0.766 0.304) 0.840 6.939 ( 0.032 -0.108 -0.283) 0.305 7.062 ( 0.133 0.434 0.046) 0.456 7.096 ( 0.293 -0.343 -1.222) 1.303 7.192 ( -0.056 0.353 0.106) 0.373 7.195 ( -0.013 0.356 0.101) 0.371 7.284 ( -0.656 0.286 0.281) 0.769 7.318 ( 0.463 -0.723 -0.809) 1.180 7.388 ( -0.923 0.904 0.376) 1.345 7.433 ( 1.115 -0.877 -0.527) 1.513 7.722 ( -0.966 0.795 0.733) 1.451 7.753 ( 0.379 -0.206 0.013) 0.432 7.812 ( 0.338 -0.364 -0.195) 0.533 7.814 ( -0.092 -0.293 -0.155) 0.344 8.442 ( -0.201 0.506 0.287) 0.615 8.469 ( 0.113 -0.491 -0.365) 0.622 8.530 ( 0.220 0.048 0.185) 0.292 8.539 ( 0.024 -0.213 -0.085) 0.231 8.741 ( -0.095 0.165 0.408) 0.450 8.752 ( 0.278 -0.114 0.094) 0.315 8.767 ( 0.098 0.415 -0.305) 0.524 8.783 ( 0.012 -0.199 -0.483) 0.523 8.811 ( -0.125 0.827 0.833) 1.180 8.863 ( -0.000 -1.035 -0.460) 1.133 8.954 ( -0.116 0.239 0.122) 0.292 8.967 ( 0.158 -0.255 -0.171) 0.346 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 9.033 7.538 3.443) 12.258 0.773 ( 6.589 1.207 2.034) 7.001 0.789 ( 9.710 6.446 4.316) 12.428 0.838 ( 21.155 6.888 4.027) 22.610 1.110 ( -5.113 1.098 -3.205) 6.134 1.178 ( 13.385 -10.484 -7.163) 18.450 1.379 ( -0.046 1.536 -0.332) 1.572 1.481 ( 3.259 -3.808 0.509) 5.038 1.556 ( 2.439 0.385 -3.550) 4.324 1.641 ( 4.507 -0.840 -1.745) 4.905 1.651 ( 1.789 1.596 4.815) 5.379 1.861 ( -0.775 -4.496 1.475) 4.795 2.132 ( -1.803 3.124 -3.698) 5.166 2.333 ( 0.012 0.616 0.459) 0.768 2.346 ( -1.222 0.228 0.345) 1.290 2.484 ( 0.823 -1.008 0.547) 1.411 3.355 ( -2.077 -0.020 3.050) 3.690 3.389 ( -0.462 -2.722 1.120) 2.980 3.512 ( 0.278 2.578 -1.156) 2.839 3.653 ( 0.995 2.502 -3.020) 4.046 3.772 ( -0.429 -2.091 2.221) 3.081 3.973 ( -2.205 2.531 0.353) 3.375 3.980 ( 1.110 -3.505 -2.287) 4.330 4.031 ( -4.979 1.778 2.435) 5.821 4.086 ( -3.636 -2.062 -1.268) 4.368 4.178 ( -2.496 -1.502 0.330) 2.932 4.256 ( 0.700 1.119 -0.538) 1.425 4.304 ( 1.232 -0.165 -1.342) 1.830 4.347 ( -0.760 1.619 1.418) 2.282 4.370 ( -1.157 -0.381 0.701) 1.406 4.429 ( 2.325 0.957 0.953) 2.689 4.443 ( 3.970 -0.006 -0.027) 3.970 4.498 ( 0.803 3.253 2.023) 3.915 4.628 ( 0.209 2.120 1.132) 2.413 4.639 ( 0.018 0.043 -0.398) 0.401 4.656 ( 0.318 -0.360 0.349) 0.593 4.694 ( -0.180 -0.537 -0.465) 0.733 4.825 ( 0.490 -3.643 -1.461) 3.956 4.895 ( 0.335 1.454 0.060) 1.493 4.964 ( -0.794 -1.341 0.782) 1.744 5.016 ( -0.588 -0.284 -1.680) 1.802 5.029 ( 1.833 -1.373 -6.395) 6.793 5.137 ( -3.944 1.859 2.887) 5.230 5.181 ( -0.913 0.699 0.220) 1.171 5.214 ( 0.117 -0.747 -0.289) 0.810 5.232 ( 0.077 -0.659 1.390) 1.540 5.329 ( 1.591 0.783 -0.752) 1.926 5.397 ( -0.419 -0.503 0.042) 0.656 5.441 ( 1.062 -2.313 -2.008) 3.242 5.555 ( -3.655 -5.781 4.943) 8.439 5.637 ( 1.719 0.148 0.775) 1.891 5.654 ( 1.115 -0.480 0.036) 1.214 5.726 ( 3.323 4.760 -4.197) 7.163 5.831 ( -0.275 0.119 0.218) 0.370 5.846 ( 0.103 -0.208 0.122) 0.262 5.881 ( 1.938 -1.540 -0.845) 2.616 6.030 ( -2.421 7.163 4.170) 8.635 6.160 ( -3.700 -0.041 0.058) 3.700 6.223 ( -3.550 -0.110 0.137) 3.554 6.340 ( -0.607 -3.882 -3.453) 5.231 6.354 ( -4.820 1.068 0.343) 4.949 6.423 ( -6.090 -0.778 1.386) 6.294 6.486 ( 1.927 0.072 0.180) 1.936 6.496 ( 1.838 -0.203 -0.097) 1.852 6.563 ( 0.635 0.565 0.457) 0.965 6.588 ( -0.141 -0.518 -0.156) 0.559 6.729 ( -1.686 0.852 0.383) 1.927 6.771 ( -1.559 -0.686 -0.508) 1.777 6.815 ( 2.588 1.173 0.157) 2.846 6.869 ( 2.304 -0.937 0.297) 2.505 6.919 ( 0.695 0.228 0.254) 0.775 6.938 ( 0.154 -0.087 -0.320) 0.366 7.072 ( 0.550 0.321 0.171) 0.659 7.095 ( 0.316 -0.206 -0.706) 0.801 7.213 ( 1.201 0.631 0.259) 1.381 7.222 ( 2.687 0.167 -0.164) 2.697 7.283 ( 0.825 0.906 0.173) 1.238 7.333 ( 1.703 -0.724 -0.384) 1.890 7.359 ( -0.711 0.557 -0.159) 0.917 7.412 ( -1.822 -1.161 0.218) 2.171 7.768 ( 2.932 1.091 0.374) 3.151 7.775 ( -0.519 0.375 0.318) 0.715 7.794 ( -0.545 -0.409 -0.322) 0.754 7.829 ( 3.132 -1.041 -0.154) 3.304 8.444 ( 0.190 0.516 0.258) 0.608 8.471 ( 0.349 -0.493 -0.324) 0.686 8.537 ( 0.127 -0.137 -0.019) 0.187 8.538 ( -0.069 -0.116 -0.059) 0.148 8.743 ( -0.135 0.332 0.393) 0.532 8.763 ( 0.431 -0.374 0.103) 0.580 8.773 ( 0.889 0.322 -0.372) 1.016 8.781 ( 0.498 0.098 -0.567) 0.761 8.812 ( -0.428 0.542 1.063) 1.268 8.854 ( -0.488 -0.858 -0.586) 1.148 8.941 ( -1.297 0.271 0.063) 1.327 8.957 ( -0.993 -0.345 -0.129) 1.060 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 11.266 4.973 4.609) 13.149 0.875 ( 2.504 4.398 7.244) 8.837 0.955 ( 2.145 2.439 -0.699) 3.322 1.007 ( 5.135 1.231 -3.243) 6.197 1.304 ( 15.383 -1.241 2.834) 15.691 1.377 ( 6.804 -2.975 -6.272) 9.721 1.427 ( 7.842 -3.027 -0.889) 8.453 1.534 ( 2.343 -4.638 -1.572) 5.429 1.584 ( 4.475 1.803 -2.369) 5.374 1.704 ( 3.179 0.770 -1.778) 3.723 1.778 ( 7.826 0.503 5.040) 9.322 1.871 ( 0.719 -3.668 3.744) 5.290 2.050 ( -1.871 5.531 -5.819) 8.243 2.291 ( -1.971 -4.008 -3.308) 5.558 2.353 ( -1.429 3.928 3.879) 5.703 2.493 ( -0.743 -1.488 -0.140) 1.669 3.331 ( -3.046 0.440 3.144) 4.400 3.379 ( -1.577 -2.987 1.071) 3.543 3.524 ( 2.059 2.882 -1.007) 3.682 3.649 ( 1.187 4.398 -3.823) 5.947 3.770 ( -1.321 -3.629 2.761) 4.747 3.920 ( -2.421 1.183 0.723) 2.790 3.984 ( -2.504 -0.898 0.809) 2.780 3.993 ( 1.871 -4.915 -3.906) 6.550 4.012 ( -2.050 2.944 1.917) 4.068 4.140 ( -1.422 -0.991 -0.188) 1.744 4.272 ( 0.877 1.385 0.363) 1.679 4.287 ( -2.511 0.609 -0.505) 2.633 4.335 ( -1.607 -0.316 0.482) 1.707 4.381 ( 3.411 -0.796 -0.792) 3.591 4.458 ( -0.057 4.180 2.963) 5.124 4.529 ( 4.293 -0.064 0.191) 4.298 4.547 ( 2.802 0.785 0.167) 2.915 4.636 ( 0.579 1.081 0.274) 1.256 4.648 ( 0.213 0.365 0.777) 0.884 4.670 ( 0.859 -0.011 0.589) 1.041 4.690 ( 0.175 -0.682 -0.594) 0.921 4.824 ( 0.471 -3.139 -1.117) 3.366 4.900 ( -0.013 1.036 -0.098) 1.041 4.948 ( -1.559 -1.066 0.677) 2.007 4.984 ( -1.356 0.182 -1.226) 1.837 5.009 ( 0.095 -0.054 -3.780) 3.782 5.078 ( -3.076 1.123 0.633) 3.335 5.166 ( -0.687 0.821 -0.093) 1.074 5.210 ( -0.101 -0.834 -0.762) 1.134 5.237 ( -0.865 -1.291 1.396) 2.089 5.359 ( 1.899 -0.091 -1.209) 2.254 5.389 ( -0.234 -0.188 0.064) 0.307 5.441 ( 1.141 -1.636 -3.242) 3.806 5.500 ( -6.396 -5.910 5.430) 10.263 5.664 ( 0.126 0.540 -0.234) 0.602 5.669 ( 0.675 0.032 -0.271) 0.728 5.772 ( 3.393 3.574 -2.996) 5.767 5.821 ( -0.715 0.628 0.336) 1.009 5.844 ( -0.273 -0.397 0.025) 0.482 5.935 ( 2.168 -1.831 0.502) 2.882 6.020 ( -1.116 5.858 3.208) 6.771 6.069 ( -3.854 -0.080 0.156) 3.858 6.116 ( -7.073 1.155 1.376) 7.298 6.259 ( -2.751 -0.128 -0.490) 2.797 6.300 ( -2.430 -0.499 -0.571) 2.546 6.370 ( 0.068 -2.924 -1.314) 3.207 6.527 ( 0.343 -0.065 0.124) 0.370 6.532 ( 0.993 -0.110 0.010) 0.999 6.550 ( -1.405 0.163 0.212) 1.430 6.556 ( -3.147 -0.112 -0.211) 3.156 6.709 ( -0.338 0.656 0.347) 0.815 6.745 ( -0.409 -0.671 -0.323) 0.850 6.865 ( 2.291 1.128 0.352) 2.578 6.890 ( 0.045 0.323 0.324) 0.459 6.937 ( 0.148 -0.143 -0.058) 0.214 6.943 ( 1.231 -0.650 -0.287) 1.421 7.082 ( 0.354 0.126 0.163) 0.409 7.093 ( 0.049 -0.218 -0.338) 0.406 7.224 ( -0.034 1.242 0.204) 1.259 7.250 ( 0.325 0.242 -0.400) 0.569 7.339 ( 4.303 0.825 0.394) 4.399 7.382 ( 3.858 -0.298 -0.220) 3.876 7.392 ( 3.555 -0.683 -0.253) 3.629 7.413 ( 2.133 -1.006 0.320) 2.380 7.733 ( -3.229 0.142 0.128) 3.235 7.734 ( -3.228 0.137 -0.053) 3.232 7.866 ( 4.134 0.488 -0.078) 4.164 7.902 ( 3.530 -0.771 0.061) 3.614 8.454 ( 0.638 0.464 0.267) 0.833 8.477 ( 0.558 -0.395 -0.278) 0.738 8.533 ( -0.552 0.010 0.056) 0.555 8.534 ( -0.327 -0.056 -0.014) 0.332 8.743 ( -0.045 0.306 0.307) 0.436 8.762 ( -0.126 -0.422 -0.202) 0.484 8.786 ( 0.326 0.664 -0.117) 0.749 8.798 ( 1.402 0.313 -0.372) 1.484 8.820 ( 0.482 -0.105 0.952) 1.073 8.839 ( -0.480 -0.681 -0.560) 1.004 8.908 ( -2.036 0.330 -0.042) 2.063 8.929 ( -1.791 -0.448 -0.111) 1.850 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 2.075 4.847 4.731) 7.084 0.901 ( 3.256 5.417 0.369) 6.331 1.039 ( 7.275 1.050 3.705) 8.231 1.205 ( 11.515 -0.125 -0.594) 11.531 1.366 ( -5.017 -5.253 -1.404) 7.398 1.428 ( 4.139 -2.989 -4.898) 7.075 1.488 ( -1.878 -2.577 0.554) 3.237 1.595 ( 3.183 -2.827 1.585) 4.543 1.678 ( 4.364 1.419 -2.002) 5.006 1.718 ( -0.343 -0.965 0.048) 1.025 1.909 ( 0.489 3.715 1.796) 4.155 2.020 ( 6.238 4.892 -4.326) 9.031 2.036 ( 9.353 -1.450 2.153) 9.706 2.227 ( -0.894 -3.506 -3.952) 5.358 2.338 ( -3.007 2.549 3.386) 5.197 2.442 ( -4.000 -1.321 -0.401) 4.232 3.293 ( -3.217 0.351 2.893) 4.341 3.354 ( -1.659 -3.344 1.115) 3.896 3.561 ( 2.125 3.618 -1.378) 4.416 3.636 ( 0.973 5.536 -3.608) 6.680 3.783 ( -0.134 -4.094 3.365) 5.301 3.902 ( -0.546 -0.305 -0.025) 0.626 3.934 ( -1.489 -1.730 0.302) 2.302 4.004 ( 2.210 -4.545 -3.080) 5.918 4.045 ( 2.465 2.779 2.260) 4.348 4.119 ( -0.713 -0.510 -0.162) 0.892 4.209 ( -4.734 1.573 0.380) 5.002 4.293 ( -0.473 2.995 -1.156) 3.245 4.313 ( 0.126 -0.939 1.797) 2.032 4.471 ( 6.067 -1.137 -1.660) 6.392 4.511 ( 4.341 3.674 2.608) 6.256 4.588 ( 1.890 0.237 -0.100) 1.908 4.611 ( 3.803 0.498 0.249) 3.843 4.641 ( 0.514 -1.236 -0.968) 1.652 4.674 ( 1.028 2.020 1.646) 2.801 4.682 ( -0.411 -0.497 -0.327) 0.723 4.695 ( 0.811 -0.465 0.389) 1.013 4.819 ( -1.083 -1.943 -0.613) 2.307 4.851 ( -5.548 1.217 0.198) 5.683 4.908 ( -3.725 -0.912 0.378) 3.853 4.950 ( -1.196 0.269 -1.092) 1.642 4.982 ( -0.597 2.479 1.030) 2.750 5.045 ( 0.847 -3.010 -4.124) 5.175 5.156 ( -0.314 0.873 0.119) 0.935 5.201 ( 0.012 -0.550 -1.061) 1.195 5.221 ( -1.917 -2.165 1.508) 3.261 5.367 ( -0.352 -0.831 -0.212) 0.927 5.390 ( -4.688 -2.314 2.420) 5.761 5.406 ( 0.437 0.233 -1.095) 1.202 5.446 ( 0.948 -1.615 -2.779) 3.351 5.660 ( -0.380 -0.011 0.432) 0.576 5.669 ( -0.210 -0.292 -0.255) 0.441 5.751 ( -2.671 1.646 -0.489) 3.175 5.811 ( -0.451 0.603 0.368) 0.838 5.848 ( 0.142 -0.657 -0.097) 0.679 5.869 ( -6.528 -1.444 0.322) 6.693 6.045 ( -2.561 7.462 4.472) 9.069 6.096 ( 5.893 0.121 -0.106) 5.895 6.110 ( 6.982 -0.455 0.094) 6.997 6.225 ( -0.645 -0.179 -0.247) 0.714 6.266 ( -0.990 0.050 -0.211) 1.013 6.365 ( 0.182 -3.376 -1.845) 3.852 6.434 ( -7.250 0.159 -0.044) 7.252 6.442 ( -6.767 -0.098 -0.089) 6.769 6.557 ( 0.139 0.114 0.111) 0.212 6.563 ( 0.768 -0.155 -0.093) 0.789 6.723 ( 1.230 0.474 0.244) 1.341 6.753 ( 1.156 -0.632 -0.194) 1.332 6.887 ( -0.429 0.740 0.286) 0.901 6.906 ( 1.400 0.609 0.458) 1.594 6.938 ( 0.159 -0.002 -0.153) 0.221 6.964 ( 1.111 -0.683 -0.334) 1.346 7.088 ( 0.227 -0.021 -0.046) 0.232 7.092 ( 0.079 -0.179 -0.201) 0.281 7.226 ( 0.067 1.004 0.333) 1.060 7.247 ( -0.192 0.190 -0.052) 0.275 7.418 ( 3.111 0.602 0.365) 3.190 7.453 ( 3.026 -0.647 -0.212) 3.102 7.470 ( 4.721 -0.232 -0.128) 4.729 7.485 ( 4.598 -0.632 0.027) 4.642 7.663 ( -3.996 0.180 0.015) 4.000 7.665 ( -3.927 0.127 -0.027) 3.930 7.924 ( 2.021 0.347 -0.027) 2.051 7.951 ( 1.559 -0.605 -0.037) 1.673 8.472 ( 1.009 0.366 0.260) 1.104 8.488 ( 0.769 -0.229 -0.194) 0.826 8.518 ( -1.085 0.136 0.139) 1.102 8.525 ( -0.636 -0.115 0.004) 0.646 8.749 ( 0.394 0.133 0.216) 0.469 8.761 ( 0.188 -0.383 -0.143) 0.450 8.788 ( 0.046 0.821 0.218) 0.851 8.818 ( 0.748 0.167 -0.304) 0.825 8.829 ( -0.567 -0.245 0.104) 0.626 8.832 ( 0.178 -0.268 -0.054) 0.326 8.874 ( -0.893 0.176 -0.190) 0.929 8.893 ( -1.671 -0.491 -0.035) 1.742 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -2.509 6.245 2.593) 7.213 0.999 ( 0.667 5.010 4.567) 6.812 1.182 ( -6.293 -7.936 -5.281) 11.422 1.222 ( 4.079 2.736 4.540) 6.688 1.388 ( 6.953 -0.619 -1.119) 7.069 1.407 ( -5.653 -2.166 0.997) 6.136 1.469 ( 1.826 -2.656 -1.263) 3.462 1.667 ( -0.128 2.018 -1.472) 2.501 1.669 ( 1.691 -0.357 0.091) 1.731 1.723 ( -1.232 -3.270 0.799) 3.584 1.872 ( -0.883 3.020 -3.444) 4.665 2.098 ( -2.464 -4.129 -1.833) 5.146 2.151 ( 6.117 4.484 1.634) 7.758 2.235 ( 1.665 0.947 -2.204) 2.920 2.294 ( -4.152 1.363 2.113) 4.854 2.386 ( 0.400 -2.037 0.217) 2.087 3.266 ( -1.615 0.254 2.398) 2.902 3.344 ( -0.195 -3.856 1.329) 4.083 3.579 ( 1.057 3.908 -1.246) 4.236 3.626 ( 0.757 4.974 -3.366) 6.054 3.800 ( -1.350 -3.819 3.140) 5.125 3.893 ( 0.381 -1.655 -0.478) 1.764 3.923 ( -0.595 0.032 0.499) 0.777 4.025 ( 1.650 -4.558 -1.661) 5.124 4.096 ( -2.713 0.831 -0.091) 2.839 4.110 ( 0.870 0.050 0.236) 0.903 4.150 ( 1.269 2.822 1.635) 3.500 4.271 ( -0.563 -0.637 -0.024) 0.850 4.335 ( 0.488 4.490 0.387) 4.533 4.535 ( -0.995 1.536 0.654) 1.943 4.595 ( -0.597 1.258 1.386) 1.965 4.630 ( -0.833 -0.211 -0.913) 1.254 4.639 ( 3.338 -1.230 -1.001) 3.695 4.653 ( -1.783 0.230 -0.972) 2.043 4.691 ( 0.352 0.060 -0.032) 0.359 4.711 ( -3.933 1.777 1.714) 4.644 4.730 ( 2.245 0.120 0.285) 2.267 4.739 ( 6.437 -0.332 0.578) 6.472 4.750 ( -5.313 -1.874 -0.785) 5.688 4.850 ( -0.678 -1.379 0.617) 1.656 4.920 ( -0.798 0.704 -1.314) 1.690 5.004 ( 1.304 -0.055 0.629) 1.448 5.030 ( 0.910 -2.827 -3.126) 4.311 5.158 ( 0.318 0.927 0.572) 1.135 5.188 ( -0.987 -1.885 0.280) 2.146 5.210 ( 0.430 -0.764 0.063) 0.879 5.327 ( -1.763 0.434 1.310) 2.240 5.361 ( -0.161 -0.876 0.027) 0.891 5.431 ( 1.906 0.394 -1.214) 2.294 5.459 ( 3.774 0.452 -4.608) 5.973 5.654 ( -1.560 -2.553 2.437) 3.859 5.669 ( 0.075 -0.246 0.545) 0.602 5.716 ( -0.514 0.174 -0.070) 0.547 5.785 ( -1.182 -1.827 -0.693) 2.284 5.810 ( -0.006 0.738 0.558) 0.925 5.845 ( -0.188 -0.543 -0.381) 0.689 6.041 ( -1.651 7.492 4.093) 8.695 6.188 ( 0.336 0.170 -0.064) 0.382 6.220 ( -1.945 -0.336 -0.421) 2.018 6.252 ( 2.825 -0.230 0.577) 2.893 6.274 ( 1.872 0.188 -0.184) 1.890 6.287 ( -2.289 0.264 0.141) 2.309 6.313 ( 0.212 -0.313 -0.189) 0.422 6.381 ( 0.580 -2.627 -1.987) 3.345 6.557 ( -0.064 0.230 0.184) 0.301 6.569 ( 0.040 -0.197 -0.182) 0.271 6.741 ( 0.014 0.418 0.279) 0.503 6.767 ( 0.059 -0.549 -0.291) 0.624 6.882 ( -0.324 0.654 0.494) 0.882 6.919 ( -0.063 -0.150 0.032) 0.166 6.941 ( 0.010 0.425 0.125) 0.443 6.973 ( 0.072 -0.539 -0.413) 0.683 7.088 ( -0.075 -0.113 -0.207) 0.247 7.093 ( 0.040 -0.170 -0.154) 0.233 7.230 ( 0.051 0.706 0.480) 0.855 7.247 ( 0.139 0.077 0.151) 0.220 7.451 ( -0.102 0.542 0.399) 0.681 7.482 ( 0.052 -0.591 -0.269) 0.651 7.540 ( -0.004 0.012 0.068) 0.069 7.556 ( -0.349 -0.466 -0.261) 0.638 7.599 ( 0.051 0.269 0.000) 0.274 7.602 ( 0.236 0.132 -0.034) 0.273 7.945 ( 0.163 0.160 0.151) 0.274 7.962 ( -0.184 -0.449 -0.257) 0.549 8.495 ( -0.029 0.376 0.324) 0.497 8.496 ( -0.054 0.079 0.092) 0.133 8.500 ( 0.158 -0.040 -0.026) 0.165 8.514 ( -0.092 -0.266 -0.103) 0.300 8.755 ( -0.109 0.074 0.175) 0.219 8.765 ( 0.160 -0.380 -0.072) 0.419 8.795 ( 0.067 0.810 0.179) 0.832 8.805 ( -0.907 0.390 0.340) 1.044 8.822 ( 0.019 0.077 -0.430) 0.437 8.843 ( 1.204 -0.635 -0.448) 1.433 8.867 ( -0.282 -0.212 0.035) 0.355 8.875 ( -0.113 -0.194 0.027) 0.226 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -5.550 5.303 3.089) 8.274 0.927 ( -10.453 0.410 0.037) 10.462 1.030 ( -4.199 2.181 3.971) 6.177 1.254 ( -8.588 -4.528 0.469) 9.720 1.357 ( 4.159 -1.930 -0.063) 4.586 1.474 ( 0.677 3.757 1.838) 4.237 1.480 ( 0.868 -2.301 -2.667) 3.628 1.590 ( -4.084 3.868 -3.057) 6.402 1.653 ( -3.717 0.203 -2.604) 4.543 1.726 ( 0.962 -1.271 -1.182) 1.985 1.867 ( -0.319 -4.268 4.847) 6.466 1.954 ( -11.170 -2.958 -2.147) 11.752 2.188 ( -3.500 2.104 -2.723) 4.908 2.233 ( 1.487 0.234 -3.438) 3.753 2.276 ( 2.684 4.553 4.684) 7.062 2.446 ( 3.584 -2.391 -0.039) 4.309 3.273 ( 0.307 0.290 2.129) 2.170 3.366 ( 0.946 -4.330 1.558) 4.698 3.565 ( -1.575 1.994 -1.061) 2.753 3.633 ( 3.276 6.114 -3.306) 7.683 3.771 ( -3.890 -4.203 2.489) 6.244 3.912 ( 1.209 0.070 -0.434) 1.286 3.922 ( 1.082 -1.650 0.123) 1.977 4.022 ( -2.574 0.959 -0.503) 2.792 4.036 ( -0.236 -1.167 0.302) 1.229 4.131 ( 1.203 -0.369 0.290) 1.291 4.229 ( 4.040 0.594 0.865) 4.174 4.275 ( 0.314 -1.328 0.774) 1.569 4.335 ( 0.320 5.360 -2.103) 5.767 4.449 ( -6.129 4.286 3.720) 8.353 4.524 ( -8.152 -1.293 -0.209) 8.256 4.589 ( -2.665 -0.009 -0.425) 2.699 4.599 ( -1.843 -0.453 -0.398) 1.939 4.631 ( -0.241 -0.087 -0.309) 0.401 4.649 ( -1.733 0.378 -0.193) 1.784 4.664 ( -0.200 0.782 -0.249) 0.845 4.722 ( -0.499 -0.703 1.081) 1.382 4.846 ( 1.638 -2.205 0.321) 2.765 4.861 ( 3.246 0.189 0.294) 3.265 4.879 ( 5.097 -0.909 -0.442) 5.196 4.907 ( 1.246 0.908 -1.000) 1.837 5.007 ( 2.671 -6.753 -6.170) 9.529 5.062 ( 1.380 2.006 2.963) 3.835 5.172 ( -0.251 -0.222 0.846) 0.910 5.177 ( 0.042 -0.322 0.644) 0.722 5.226 ( 0.919 -0.665 0.134) 1.142 5.335 ( 1.537 1.196 -0.199) 1.957 5.365 ( 0.466 -0.504 -0.048) 0.688 5.453 ( 0.573 1.545 0.434) 1.704 5.516 ( 5.930 2.922 -5.104) 8.352 5.641 ( -1.810 -2.867 2.236) 4.061 5.679 ( 0.879 -0.464 0.066) 0.996 5.732 ( 0.685 -1.987 2.381) 3.176 5.813 ( 4.560 -2.901 -2.496) 5.953 5.819 ( 0.627 0.482 0.522) 0.948 5.839 ( -0.086 -0.135 -0.355) 0.390 6.046 ( -0.726 4.708 2.536) 5.397 6.096 ( -5.434 -0.351 -0.300) 5.454 6.129 ( -5.974 3.442 2.079) 7.201 6.229 ( 0.972 0.204 0.026) 0.993 6.272 ( 0.777 -0.009 0.037) 0.778 6.379 ( 1.087 -2.750 -2.158) 3.661 6.430 ( 7.133 0.084 -0.083) 7.134 6.436 ( 7.740 -0.141 0.007) 7.741 6.557 ( -0.256 0.162 0.116) 0.324 6.562 ( -0.677 -0.013 -0.110) 0.686 6.728 ( -1.349 0.458 0.422) 1.486 6.753 ( -0.851 -0.477 -0.327) 1.029 6.881 ( -0.535 0.176 0.545) 0.784 6.909 ( -1.067 -0.019 0.052) 1.068 6.937 ( -0.312 0.154 0.008) 0.348 6.961 ( -0.871 -0.321 -0.455) 1.034 7.082 ( -0.365 -0.077 -0.162) 0.407 7.091 ( 0.027 -0.288 -0.213) 0.359 7.235 ( -0.061 0.655 0.538) 0.850 7.254 ( 0.501 -0.102 0.074) 0.517 7.420 ( -3.366 0.570 0.457) 3.445 7.451 ( -2.964 -0.566 -0.305) 3.033 7.472 ( -4.638 0.105 0.030) 4.640 7.476 ( -4.785 0.085 -0.302) 4.796 7.663 ( 3.962 0.048 0.026) 3.963 7.667 ( 3.963 0.021 0.001) 3.963 7.932 ( -1.822 -0.020 0.347) 1.855 7.941 ( -1.780 -0.308 -0.460) 1.864 8.473 ( -1.163 0.365 0.261) 1.246 8.491 ( -0.653 -0.288 -0.107) 0.721 8.518 ( 0.966 0.090 0.146) 0.981 8.525 ( 0.776 -0.160 -0.005) 0.793 8.748 ( -0.626 0.218 0.155) 0.681 8.764 ( -0.115 -0.403 -0.128) 0.438 8.785 ( -0.314 0.939 0.284) 1.030 8.810 ( 0.048 0.181 -0.260) 0.320 8.819 ( -0.160 0.222 -0.339) 0.435 8.852 ( -0.411 -1.018 0.368) 1.158 8.881 ( 1.560 -0.034 -0.099) 1.564 8.884 ( 1.635 -0.070 -0.213) 1.651 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -11.348 6.864 1.005) 13.300 0.754 ( -9.741 6.507 5.928) 13.129 1.030 ( 0.790 -4.198 2.212) 4.811 1.109 ( -5.591 -6.968 -1.119) 9.003 1.254 ( -17.200 4.872 0.602) 17.887 1.418 ( -7.559 1.811 -2.437) 8.146 1.475 ( -0.678 2.693 -0.513) 2.824 1.513 ( 1.346 0.028 -2.035) 2.440 1.579 ( -3.553 -1.789 -2.290) 4.590 1.664 ( -13.822 0.228 0.495) 13.833 1.702 ( -1.831 -1.129 -2.244) 3.108 1.900 ( -2.011 -7.746 5.435) 9.674 2.136 ( 1.741 3.850 -3.400) 5.424 2.265 ( 4.726 -1.286 -4.370) 6.564 2.337 ( -0.526 4.155 4.369) 6.052 2.484 ( 0.514 -2.002 -0.362) 2.098 3.305 ( 0.978 0.203 2.123) 2.346 3.389 ( -0.072 -3.885 1.366) 4.119 3.530 ( -0.883 1.787 -0.675) 2.104 3.676 ( 3.388 4.135 -3.746) 6.527 3.724 ( -2.132 -3.252 2.189) 4.462 3.926 ( 1.023 1.338 1.060) 1.989 3.978 ( 4.587 -2.857 -1.312) 5.561 3.996 ( 0.218 0.937 -0.503) 1.085 4.037 ( -0.177 -0.282 1.062) 1.113 4.159 ( 1.341 -0.822 0.664) 1.707 4.270 ( -0.800 1.144 -0.711) 1.567 4.297 ( 2.450 0.405 0.084) 2.484 4.335 ( 1.219 1.345 -0.945) 2.046 4.385 ( -4.457 2.000 1.436) 5.091 4.428 ( -1.393 2.742 2.490) 3.957 4.530 ( -4.214 -0.379 -0.356) 4.246 4.541 ( -3.047 0.267 0.477) 3.096 4.616 ( -0.355 -0.700 -0.978) 1.254 4.646 ( -0.349 1.496 0.808) 1.736 4.650 ( -0.323 1.013 -0.035) 1.064 4.715 ( -0.835 -0.904 0.478) 1.320 4.848 ( -0.230 -3.142 -0.327) 3.167 4.881 ( 0.235 0.924 -0.607) 1.130 4.931 ( 1.125 -0.515 -0.024) 1.238 4.964 ( 3.408 -0.065 -0.214) 3.415 5.024 ( 4.440 -6.448 -7.711) 10.989 5.108 ( 0.854 1.186 2.874) 3.224 5.168 ( -0.194 -0.846 0.678) 1.102 5.192 ( 0.255 0.846 1.077) 1.394 5.239 ( -0.074 -0.926 0.670) 1.145 5.361 ( 1.564 0.223 -0.930) 1.833 5.374 ( 0.449 -0.407 -0.244) 0.653 5.453 ( -1.767 2.384 2.498) 3.879 5.583 ( 5.124 5.173 -5.549) 9.154 5.625 ( -1.243 -2.010 1.167) 2.635 5.692 ( -0.162 -0.331 0.342) 0.503 5.735 ( -3.662 -3.821 3.936) 6.596 5.829 ( -0.545 -1.188 -1.129) 1.727 5.837 ( 0.659 0.025 -0.022) 0.659 5.860 ( 1.593 -1.807 -2.380) 3.386 6.042 ( -1.868 2.629 1.400) 3.516 6.070 ( 4.286 0.525 0.510) 4.348 6.129 ( 3.773 4.107 2.439) 6.087 6.268 ( 3.189 -0.398 -0.117) 3.215 6.298 ( 2.154 0.074 -0.091) 2.157 6.385 ( 1.501 -1.968 -1.642) 2.970 6.523 ( -1.101 0.258 -0.061) 1.132 6.530 ( 1.289 0.036 0.115) 1.294 6.544 ( 0.163 0.257 -0.039) 0.307 6.564 ( 2.865 -0.446 0.065) 2.900 6.715 ( -0.034 0.667 0.545) 0.862 6.747 ( 0.791 -0.580 -0.370) 1.049 6.863 ( -1.815 -0.130 0.793) 1.985 6.884 ( -1.428 -0.328 -0.365) 1.510 6.929 ( -0.598 0.199 -0.077) 0.635 6.944 ( -0.282 0.088 -0.258) 0.392 7.073 ( -0.441 0.165 -0.082) 0.478 7.093 ( 0.379 -0.360 -0.290) 0.598 7.234 ( -0.652 0.700 0.408) 1.040 7.262 ( -0.049 -0.426 -0.170) 0.462 7.346 ( -4.241 0.658 0.720) 4.352 7.378 ( -3.541 -0.591 -0.588) 3.638 7.394 ( -2.839 0.329 -0.478) 2.898 7.397 ( -3.056 0.136 0.382) 3.083 7.731 ( 2.997 0.174 0.063) 3.003 7.738 ( 3.385 -0.068 0.051) 3.387 7.878 ( -4.164 -0.071 0.507) 4.196 7.886 ( -3.432 -0.308 -0.588) 3.495 8.456 ( -0.833 0.436 0.315) 0.991 8.479 ( -0.398 -0.410 -0.220) 0.612 8.533 ( 0.508 -0.047 0.063) 0.514 8.536 ( 0.320 -0.163 0.006) 0.359 8.740 ( -0.243 0.345 0.194) 0.465 8.762 ( 0.058 -0.486 -0.227) 0.539 8.786 ( -0.119 1.102 -0.240) 1.134 8.798 ( -0.676 0.306 0.258) 0.785 8.805 ( -0.970 0.061 -0.170) 0.986 8.852 ( 0.344 -1.179 0.092) 1.232 8.914 ( 1.736 0.167 0.227) 1.759 8.923 ( 2.159 -0.185 -0.388) 2.201 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( -8.857 11.474 0.147) 14.496 0.597 ( -16.046 8.038 5.020) 18.635 0.850 ( -18.898 12.295 7.140) 23.649 0.951 ( -13.625 -6.952 0.707) 15.312 1.080 ( 1.381 -11.558 -5.104) 12.710 1.236 ( -2.992 -1.789 -3.223) 4.747 1.396 ( -2.950 4.648 -1.752) 5.777 1.487 ( -0.396 2.527 -0.637) 2.636 1.522 ( -3.363 -0.802 1.586) 3.804 1.573 ( 0.896 -1.389 -2.459) 2.963 1.649 ( -2.788 -0.406 0.360) 2.840 1.886 ( -1.953 -5.586 1.890) 6.212 2.162 ( 2.192 1.983 -2.459) 3.845 2.320 ( 4.116 -2.854 -4.584) 6.789 2.342 ( -2.034 4.873 4.881) 7.191 2.474 ( -0.832 -1.140 0.184) 1.423 3.338 ( 0.544 -0.149 2.310) 2.378 3.389 ( -0.750 -3.012 1.202) 3.329 3.522 ( 0.391 1.797 -0.822) 2.014 3.685 ( 0.775 1.816 -3.265) 3.816 3.727 ( 0.043 -1.631 2.191) 2.732 3.969 ( 1.668 1.916 0.773) 2.655 3.996 ( 0.670 -3.631 -1.952) 4.177 4.063 ( 3.587 -0.923 0.444) 3.731 4.067 ( 3.045 1.433 1.025) 3.518 4.192 ( 1.337 -1.229 0.854) 2.008 4.254 ( 0.514 2.426 -2.067) 3.228 4.319 ( -0.172 0.330 -1.630) 1.672 4.330 ( -1.162 1.978 2.089) 3.103 4.356 ( 0.042 -0.665 1.177) 1.353 4.436 ( -1.145 2.054 1.310) 2.692 4.444 ( -4.255 0.176 0.054) 4.259 4.487 ( -2.537 2.178 1.412) 3.630 4.614 ( 0.481 -0.804 0.123) 0.945 4.630 ( -0.587 0.230 -0.272) 0.687 4.661 ( 0.177 1.725 0.470) 1.797 4.704 ( -0.334 -0.314 -0.036) 0.460 4.839 ( -0.075 -3.530 -1.089) 3.695 4.882 ( 0.346 1.179 -0.360) 1.281 4.949 ( 0.840 -1.158 0.323) 1.467 5.013 ( 2.249 -0.586 -1.198) 2.615 5.041 ( 3.759 -4.064 -7.339) 9.193 5.141 ( 0.430 0.906 2.288) 2.498 5.179 ( 0.586 -0.660 1.132) 1.435 5.200 ( -0.188 0.756 0.777) 1.100 5.234 ( -0.886 -0.675 0.697) 1.314 5.368 ( -1.454 -0.192 0.659) 1.608 5.383 ( 1.533 -0.980 -1.004) 2.078 5.433 ( -1.765 2.080 1.829) 3.284 5.598 ( 0.228 3.510 -3.593) 5.028 5.620 ( -0.549 -1.619 1.551) 2.309 5.676 ( -4.469 -5.250 4.296) 8.124 5.687 ( 0.957 2.307 -2.564) 3.579 5.814 ( 0.654 -1.192 -1.410) 1.959 5.842 ( 0.089 0.273 -0.205) 0.353 5.871 ( 0.846 -0.713 -0.802) 1.367 6.036 ( -1.300 5.931 3.740) 7.132 6.161 ( 3.526 -0.260 -0.049) 3.536 6.225 ( 3.446 0.209 0.365) 3.471 6.325 ( 3.053 -3.229 -2.886) 5.299 6.373 ( 4.755 1.178 1.506) 5.125 6.429 ( 4.054 0.154 0.035) 4.057 6.485 ( -1.673 0.336 0.065) 1.707 6.497 ( -1.903 -0.138 -0.071) 1.909 6.558 ( -0.603 0.450 0.388) 0.846 6.590 ( -0.190 -0.743 0.012) 0.767 6.733 ( 1.066 0.808 0.500) 1.428 6.772 ( 1.753 -0.704 -0.507) 1.956 6.828 ( -2.677 -0.051 0.924) 2.832 6.840 ( -2.478 -0.408 -0.705) 2.609 6.918 ( -0.554 0.824 0.217) 1.016 6.941 ( -0.049 -0.025 -0.201) 0.209 7.066 ( -0.319 0.449 -0.021) 0.551 7.098 ( 0.423 -0.255 -0.688) 0.847 7.211 ( -1.684 0.541 0.128) 1.774 7.227 ( -2.936 -0.013 0.025) 2.936 7.299 ( -1.529 0.234 0.786) 1.735 7.327 ( -1.017 -0.710 -0.841) 1.499 7.378 ( 0.510 0.454 0.685) 0.967 7.387 ( 2.558 0.039 -0.730) 2.660 7.770 ( 0.062 0.412 0.259) 0.490 7.784 ( -2.722 0.543 0.892) 2.916 7.797 ( -0.348 -0.572 -0.172) 0.692 7.816 ( -2.018 -0.614 -0.736) 2.234 8.446 ( -0.505 0.474 0.325) 0.765 8.472 ( -0.127 -0.487 -0.309) 0.590 8.534 ( -0.397 -0.043 -0.070) 0.405 8.539 ( 0.102 -0.167 -0.040) 0.200 8.740 ( -0.070 0.269 0.312) 0.418 8.756 ( -0.526 -0.254 -0.164) 0.606 8.773 ( -0.392 0.482 -0.389) 0.733 8.788 ( -0.403 -0.112 -0.240) 0.483 8.803 ( 0.240 0.884 0.671) 1.135 8.861 ( 0.485 -1.155 -0.234) 1.274 8.943 ( 1.047 0.219 0.176) 1.084 8.954 ( 1.317 -0.204 -0.262) 1.358 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -2.787 -10.180 -2.105) 10.762 0.526 ( -2.787 10.180 -2.105) 10.762 0.726 ( 5.347 -17.223 -5.201) 18.769 0.726 ( 5.347 17.223 -5.201) 18.769 1.089 ( -3.008 -10.995 6.573) 13.158 1.089 ( -3.008 10.995 6.573) 13.158 1.421 ( -0.867 -1.748 -3.515) 4.021 1.421 ( -0.867 1.748 -3.515) 4.021 1.528 ( 3.254 -0.683 -2.820) 4.360 1.528 ( 3.254 0.683 -2.820) 4.360 1.735 ( -2.376 -7.108 5.459) 9.272 1.735 ( -2.376 7.108 5.459) 9.272 2.248 ( 2.315 -4.827 -5.568) 7.724 2.248 ( 2.315 4.827 -5.568) 7.724 2.432 ( -1.264 -3.105 3.182) 4.622 2.432 ( -1.264 3.105 3.182) 4.622 3.355 ( -0.986 -0.351 3.080) 3.253 3.355 ( -0.986 0.351 3.080) 3.253 3.591 ( -0.494 -4.542 1.290) 4.747 3.591 ( -0.494 4.542 1.290) 4.747 3.854 ( 1.393 -6.739 -2.976) 7.497 3.854 ( 1.393 6.739 -2.976) 7.497 4.062 ( 0.723 -2.776 -1.231) 3.121 4.062 ( 0.723 2.776 -1.231) 3.121 4.155 ( -2.074 -2.957 2.827) 4.587 4.155 ( -2.074 2.957 2.827) 4.587 4.293 ( 0.439 -0.921 -2.121) 2.353 4.293 ( 0.439 0.921 -2.121) 2.353 4.364 ( 0.419 -0.488 1.092) 1.268 4.364 ( 0.419 0.488 1.092) 1.268 4.398 ( -0.444 -0.627 -0.621) 0.988 4.398 ( -0.444 0.627 -0.621) 0.988 4.580 ( 0.468 -3.629 0.355) 3.677 4.580 ( 0.468 3.629 0.355) 3.677 4.669 ( 0.091 -2.533 -0.334) 2.556 4.669 ( 0.091 2.533 -0.334) 2.556 4.720 ( 0.189 -4.365 -0.865) 4.454 4.720 ( 0.189 4.365 -0.865) 4.454 4.926 ( 0.352 -1.965 0.298) 2.018 4.926 ( 0.352 1.965 0.298) 2.018 5.018 ( 1.532 -0.248 -3.239) 3.592 5.018 ( 1.532 0.248 -3.239) 3.592 5.183 ( 0.025 -1.117 1.692) 2.027 5.183 ( 0.025 1.117 1.692) 2.027 5.214 ( -0.604 -0.655 0.961) 1.311 5.214 ( -0.604 0.655 0.961) 1.311 5.363 ( -0.564 -1.623 0.177) 1.727 5.363 ( -0.564 1.623 0.177) 1.727 5.477 ( -3.126 -4.309 3.340) 6.285 5.477 ( -3.126 4.309 3.340) 6.285 5.620 ( 0.386 -0.787 0.198) 0.899 5.620 ( 0.386 0.787 0.198) 0.899 5.791 ( 2.359 -2.876 -2.676) 4.582 5.791 ( 2.359 2.876 -2.676) 4.582 5.851 ( -0.030 -0.808 -0.585) 0.998 5.851 ( -0.030 0.808 -0.585) 0.998 6.157 ( 0.711 -3.753 -0.772) 3.897 6.157 ( 0.711 3.753 -0.772) 3.897 6.271 ( -0.079 -2.124 -0.189) 2.134 6.271 ( -0.079 2.124 -0.189) 2.134 6.454 ( -0.560 -1.109 0.907) 1.538 6.454 ( -0.560 1.109 0.907) 1.538 6.488 ( -1.273 -1.031 1.478) 2.207 6.488 ( -1.273 1.031 1.478) 2.207 6.564 ( 0.261 -0.998 0.093) 1.036 6.564 ( 0.261 0.998 0.093) 1.036 6.768 ( 0.183 -0.980 0.091) 1.001 6.768 ( 0.183 0.980 0.091) 1.001 6.804 ( 0.191 -0.572 -0.091) 0.609 6.804 ( 0.191 0.572 -0.091) 0.609 6.930 ( 0.041 -0.666 -0.356) 0.756 6.930 ( 0.041 0.666 -0.356) 0.756 7.078 ( 0.206 -0.981 -0.520) 1.129 7.078 ( 0.206 0.981 -0.520) 1.129 7.198 ( 0.026 -0.131 -0.012) 0.134 7.198 ( 0.026 0.131 -0.012) 0.134 7.297 ( 0.039 -0.934 -0.178) 0.951 7.297 ( 0.039 0.934 -0.178) 0.951 7.411 ( -0.168 -1.137 0.117) 1.155 7.411 ( -0.168 1.137 0.117) 1.155 7.742 ( 0.032 -0.874 0.053) 0.876 7.742 ( 0.032 0.874 0.053) 0.876 7.809 ( -0.015 -0.102 -0.036) 0.109 7.809 ( -0.015 0.102 -0.036) 0.109 8.456 ( -0.041 -0.705 -0.017) 0.706 8.456 ( -0.041 0.705 -0.017) 0.706 8.534 ( 0.031 -0.233 0.039) 0.238 8.534 ( 0.031 0.233 0.039) 0.238 8.747 ( 0.034 -0.299 0.344) 0.457 8.747 ( 0.034 0.299 0.344) 0.457 8.776 ( 0.046 -0.419 -0.371) 0.562 8.776 ( 0.046 0.419 -0.371) 0.562 8.836 ( -0.024 -1.385 0.088) 1.388 8.836 ( -0.024 1.385 0.088) 1.388 8.960 ( 0.027 -0.337 -0.079) 0.347 8.960 ( 0.027 0.337 -0.079) 0.347 ======================= Grid point 63 (33/63) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 9.211 -10.926 -3.925) 14.819 0.616 ( 9.211 10.926 -3.925) 14.819 0.949 ( 19.579 -8.050 -0.118) 21.169 0.949 ( 19.579 8.050 -0.118) 21.169 1.066 ( -3.076 -6.651 3.275) 8.027 1.066 ( -3.076 6.651 3.275) 8.027 1.404 ( 2.092 -1.932 -3.849) 4.788 1.404 ( 2.092 1.932 -3.849) 4.788 1.592 ( 4.689 -3.038 -1.571) 5.804 1.592 ( 4.689 3.038 -1.571) 5.804 1.740 ( -1.386 -5.728 5.530) 8.081 1.740 ( -1.386 5.728 5.530) 8.081 2.234 ( 0.689 -5.413 -5.713) 7.900 2.234 ( 0.689 5.413 -5.713) 7.900 2.435 ( -0.882 -3.591 3.028) 4.779 2.435 ( -0.882 3.591 3.028) 4.779 3.357 ( -1.636 -0.463 3.356) 3.762 3.357 ( -1.636 0.463 3.356) 3.762 3.590 ( -0.479 -4.601 1.357) 4.821 3.590 ( -0.479 4.601 1.357) 4.821 3.861 ( 1.768 -6.498 -3.642) 7.656 3.861 ( 1.768 6.498 -3.642) 7.656 4.021 ( -3.445 -2.128 -0.847) 4.137 4.021 ( -3.445 2.128 -0.847) 4.137 4.115 ( -3.436 -3.449 2.600) 5.519 4.115 ( -3.436 3.449 2.600) 5.519 4.292 ( 1.070 -1.196 -1.854) 2.452 4.292 ( 1.070 1.196 -1.854) 2.452 4.365 ( -0.935 -0.362 0.353) 1.063 4.365 ( -0.935 0.362 0.353) 1.063 4.440 ( 4.085 -0.328 -0.104) 4.099 4.440 ( 4.085 0.328 -0.104) 4.099 4.589 ( 0.092 -3.945 0.363) 3.963 4.589 ( 0.092 3.945 0.363) 3.963 4.671 ( 0.240 -1.288 -0.270) 1.338 4.671 ( 0.240 1.288 -0.270) 1.338 4.717 ( 0.466 -5.180 -0.795) 5.261 4.717 ( 0.466 5.180 -0.795) 5.261 4.930 ( -0.274 -1.690 0.456) 1.772 4.930 ( -0.274 1.690 0.456) 1.772 5.010 ( 0.562 -0.132 -3.329) 3.379 5.010 ( 0.562 0.132 -3.329) 3.379 5.187 ( -1.195 -1.777 1.907) 2.867 5.187 ( -1.195 1.777 1.907) 2.867 5.206 ( -1.505 -1.428 1.675) 2.666 5.206 ( -1.505 1.428 1.675) 2.666 5.358 ( 0.374 -2.002 -0.262) 2.053 5.358 ( 0.374 2.002 -0.262) 2.053 5.455 ( -1.939 -2.964 2.009) 4.072 5.455 ( -1.939 2.964 2.009) 4.072 5.645 ( 1.706 -0.437 0.292) 1.785 5.645 ( 1.706 0.437 0.292) 1.785 5.815 ( 2.225 -2.778 -1.725) 3.955 5.815 ( 2.225 2.778 -1.725) 3.955 5.846 ( 0.186 -0.595 -0.754) 0.978 5.846 ( 0.186 0.595 -0.754) 0.978 6.143 ( -1.831 -2.463 -0.721) 3.153 6.143 ( -1.831 2.463 -0.721) 3.153 6.251 ( -1.838 -3.472 -0.264) 3.937 6.251 ( -1.838 3.472 -0.264) 3.937 6.389 ( -6.617 -1.951 1.932) 7.164 6.389 ( -6.617 1.951 1.932) 7.164 6.490 ( 1.885 -0.285 0.012) 1.906 6.490 ( 1.885 0.285 0.012) 1.906 6.576 ( 0.264 -0.619 0.101) 0.680 6.576 ( 0.264 0.619 0.101) 0.680 6.751 ( -1.662 -1.111 -0.042) 2.000 6.751 ( -1.662 1.111 -0.042) 2.000 6.843 ( 2.747 -1.358 0.354) 3.084 6.843 ( 2.747 1.358 0.354) 3.084 6.931 ( 0.280 -0.590 -0.407) 0.769 6.931 ( 0.280 0.590 -0.407) 0.769 7.083 ( 0.452 -0.692 -0.309) 0.882 7.083 ( 0.452 0.692 -0.309) 0.882 7.223 ( 2.128 -0.196 0.008) 2.137 7.223 ( 2.128 0.196 0.008) 2.137 7.308 ( 1.495 -1.359 -0.135) 2.025 7.308 ( 1.495 1.359 -0.135) 2.025 7.382 ( -1.668 -1.429 0.071) 2.198 7.382 ( -1.668 1.429 0.071) 2.198 7.784 ( -0.613 -0.518 0.047) 0.804 7.784 ( -0.613 0.518 0.047) 0.804 7.800 ( 3.114 -1.546 -0.003) 3.477 7.800 ( 3.114 1.546 -0.003) 3.477 8.458 ( 0.275 -0.699 -0.030) 0.751 8.458 ( 0.275 0.699 -0.030) 0.751 8.536 ( 0.053 -0.076 0.033) 0.098 8.536 ( 0.053 0.076 0.033) 0.098 8.753 ( 0.067 -0.532 0.313) 0.621 8.753 ( 0.067 0.532 0.313) 0.621 8.780 ( 0.814 -0.228 -0.388) 0.930 8.780 ( 0.814 0.228 -0.388) 0.930 8.831 ( -0.500 -1.124 0.119) 1.236 8.831 ( -0.500 1.124 0.119) 1.236 8.948 ( -1.141 -0.433 -0.089) 1.223 8.948 ( -1.141 0.433 -0.089) 1.223 ======================= Grid point 65 (34/63) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( 9.938 -8.643 -0.675) 13.187 0.781 ( 9.938 8.643 -0.675) 13.187 1.039 ( 0.150 -1.020 1.128) 1.529 1.039 ( 0.150 1.020 1.128) 1.529 1.302 ( 11.773 -1.740 -1.087) 11.950 1.302 ( 11.773 1.740 -1.087) 11.950 1.432 ( 3.735 -3.502 -1.705) 5.397 1.432 ( 3.735 3.502 -1.705) 5.397 1.662 ( 3.803 -3.982 -1.519) 5.712 1.662 ( 3.803 3.982 -1.519) 5.712 1.805 ( 4.898 -2.171 5.557) 7.719 1.805 ( 4.898 2.171 5.557) 7.719 2.180 ( -0.951 -6.044 -6.026) 8.588 2.180 ( -0.951 6.044 -6.026) 8.588 2.438 ( -1.652 -3.596 2.338) 4.596 2.438 ( -1.652 3.596 2.338) 4.596 3.342 ( -2.935 -0.757 3.630) 4.730 3.342 ( -2.935 0.757 3.630) 4.730 3.605 ( 1.119 -4.603 1.187) 4.883 3.605 ( 1.119 4.603 1.187) 4.883 3.848 ( 0.096 -6.888 -4.021) 7.976 3.848 ( 0.096 6.888 -4.021) 7.976 3.956 ( -2.274 -1.697 -0.023) 2.838 3.956 ( -2.274 1.697 -0.023) 2.838 4.088 ( -1.233 -3.316 1.899) 4.015 4.088 ( -1.233 3.316 1.899) 4.015 4.295 ( -0.608 -0.307 -0.307) 0.747 4.295 ( -0.608 0.307 -0.307) 0.747 4.351 ( 1.175 -1.703 -1.594) 2.612 4.351 ( 1.175 1.703 -1.594) 2.612 4.521 ( 3.998 -1.081 0.222) 4.148 4.521 ( 3.998 1.081 0.222) 4.148 4.592 ( 0.220 -3.282 -0.043) 3.289 4.592 ( 0.220 3.282 -0.043) 3.289 4.675 ( 0.326 -0.629 0.070) 0.713 4.675 ( 0.326 0.629 0.070) 0.713 4.728 ( 1.106 -4.925 -0.610) 5.085 4.728 ( 1.106 4.925 -0.610) 5.085 4.924 ( -0.787 -1.131 0.244) 1.399 4.924 ( -0.787 1.131 0.244) 1.399 4.989 ( -0.059 -0.625 -2.954) 3.020 4.989 ( -0.059 0.625 -2.954) 3.020 5.165 ( -3.904 -4.874 4.533) 7.716 5.165 ( -3.904 4.874 4.533) 7.716 5.189 ( -0.771 -1.352 0.014) 1.556 5.189 ( -0.771 1.352 0.014) 1.556 5.368 ( 0.435 -1.206 -0.150) 1.291 5.368 ( 0.435 1.206 -0.150) 1.291 5.428 ( -1.642 -0.909 0.321) 1.904 5.428 ( -1.642 0.909 0.321) 1.904 5.670 ( 0.652 -0.058 -0.290) 0.716 5.670 ( 0.652 0.058 -0.290) 0.716 5.831 ( -0.036 -0.816 -0.381) 0.901 5.831 ( -0.036 0.816 -0.381) 0.901 5.866 ( 1.978 -3.979 -1.149) 4.590 5.866 ( 1.978 3.979 -1.149) 4.590 6.068 ( -4.069 -0.127 -0.114) 4.073 6.068 ( -4.069 0.127 -0.114) 4.073 6.210 ( -1.671 -5.104 -0.048) 5.371 6.210 ( -1.671 5.104 -0.048) 5.371 6.309 ( -2.707 -1.722 1.127) 3.401 6.309 ( -2.707 1.722 1.127) 3.401 6.529 ( 0.751 -0.172 -0.007) 0.770 6.529 ( 0.751 0.172 -0.007) 0.770 6.554 ( -2.312 -0.130 0.025) 2.316 6.554 ( -2.312 0.130 0.025) 2.316 6.727 ( -0.460 -0.955 0.066) 1.062 6.727 ( -0.460 0.955 0.066) 1.062 6.888 ( 1.594 -0.755 0.196) 1.775 6.888 ( 1.594 0.755 0.196) 1.775 6.934 ( 0.446 -0.146 -0.355) 0.588 6.934 ( 0.446 0.146 -0.355) 0.588 7.087 ( 0.121 -0.337 -0.015) 0.358 7.087 ( 0.121 0.337 -0.015) 0.358 7.248 ( 0.192 -0.700 -0.020) 0.726 7.248 ( 0.192 0.700 -0.020) 0.726 7.362 ( 3.983 -1.243 0.060) 4.173 7.362 ( 3.983 1.243 0.060) 4.173 7.392 ( 2.887 -0.695 -0.037) 2.970 7.392 ( 2.887 0.695 -0.037) 2.970 7.735 ( -3.234 -0.043 -0.002) 3.234 7.735 ( -3.234 0.043 -0.002) 3.234 7.882 ( 3.853 -0.954 0.026) 3.970 7.882 ( 3.853 0.954 0.026) 3.970 8.466 ( 0.629 -0.599 -0.026) 0.868 8.466 ( 0.629 0.599 -0.026) 0.868 8.533 ( -0.411 -0.029 0.063) 0.417 8.533 ( -0.411 0.029 0.063) 0.417 8.752 ( -0.128 -0.496 0.098) 0.522 8.752 ( -0.128 0.496 0.098) 0.522 8.800 ( 1.162 -0.376 -0.287) 1.255 8.800 ( 1.162 0.376 -0.287) 1.255 8.823 ( -0.270 -0.584 0.223) 0.681 8.823 ( -0.270 0.584 0.223) 0.681 8.917 ( -1.910 -0.551 -0.122) 1.991 8.917 ( -1.910 0.551 -0.122) 1.991 ======================= Grid point 67 (35/63) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 6.103 -5.140 0.525) 7.996 0.944 ( 6.103 5.140 0.525) 7.996 1.092 ( 4.714 -7.900 -1.778) 9.370 1.092 ( 4.714 7.900 -1.778) 9.370 1.375 ( 0.899 -1.921 0.044) 2.122 1.375 ( 0.899 1.921 0.044) 2.122 1.490 ( 0.024 -5.053 3.421) 6.102 1.490 ( 0.024 5.053 3.421) 6.102 1.707 ( 2.477 -2.078 -2.812) 4.285 1.707 ( 2.477 2.078 -2.812) 4.285 1.986 ( 5.782 -3.132 3.132) 7.284 1.986 ( 5.782 3.132 3.132) 7.284 2.132 ( 3.171 -5.119 -6.022) 8.516 2.132 ( 3.171 5.119 -6.022) 8.516 2.398 ( -4.227 -2.697 2.036) 5.412 2.398 ( -4.227 2.697 2.036) 5.412 3.309 ( -3.272 -1.205 3.488) 4.932 3.309 ( -3.272 1.205 3.488) 4.932 3.641 ( 1.486 -4.025 0.185) 4.294 3.641 ( 1.486 4.025 0.185) 4.294 3.820 ( -0.233 -6.228 -1.363) 6.380 3.820 ( -0.233 6.228 -1.363) 6.380 3.937 ( 0.435 -1.751 -0.957) 2.042 3.937 ( 0.435 1.751 -0.957) 2.042 4.093 ( 0.458 -1.724 0.896) 1.996 4.093 ( 0.458 1.724 0.896) 1.996 4.255 ( -3.248 -2.359 1.257) 4.206 4.255 ( -3.248 2.359 1.257) 4.206 4.406 ( 6.179 -4.547 -3.729) 8.530 4.406 ( 6.179 4.547 -3.729) 8.530 4.581 ( 1.656 -2.042 0.034) 2.630 4.581 ( 1.656 2.042 0.034) 2.630 4.615 ( 2.990 -0.416 0.076) 3.020 4.615 ( 2.990 0.416 0.076) 3.020 4.682 ( 0.114 -0.518 0.303) 0.611 4.682 ( 0.114 0.518 0.303) 0.611 4.742 ( 0.707 -4.140 -0.510) 4.231 4.742 ( 0.707 4.140 -0.510) 4.231 4.885 ( -4.521 -1.392 0.469) 4.754 4.885 ( -4.521 1.392 0.469) 4.754 4.964 ( -0.238 -1.299 -2.338) 2.685 4.964 ( -0.238 1.299 -2.338) 2.685 5.118 ( -4.428 -6.345 5.030) 9.228 5.118 ( -4.428 6.345 5.030) 9.228 5.180 ( -0.043 -1.206 -0.196) 1.222 5.180 ( -0.043 1.206 -0.196) 1.222 5.357 ( -1.602 -0.295 0.719) 1.781 5.357 ( -1.602 0.295 0.719) 1.781 5.418 ( 1.334 -0.841 -1.711) 2.327 5.418 ( 1.334 0.841 -1.711) 2.327 5.668 ( -0.324 -0.224 -0.470) 0.613 5.668 ( -0.324 0.224 -0.470) 0.613 5.806 ( -4.364 -2.812 -0.446) 5.210 5.806 ( -4.364 2.812 -0.446) 5.210 5.833 ( -0.978 -0.453 -0.039) 1.078 5.833 ( -0.978 0.453 -0.039) 1.078 6.101 ( 6.501 -0.339 -0.039) 6.510 6.101 ( 6.501 0.339 -0.039) 6.510 6.188 ( -0.746 -4.481 0.041) 4.543 6.188 ( -0.746 4.481 0.041) 4.543 6.287 ( -0.770 -2.559 0.648) 2.750 6.287 ( -0.770 2.559 0.648) 2.750 6.438 ( -7.145 -0.196 0.057) 7.148 6.438 ( -7.145 0.196 0.057) 7.148 6.560 ( 0.458 -0.151 0.030) 0.483 6.560 ( 0.458 0.151 0.030) 0.483 6.737 ( 1.113 -0.780 0.148) 1.368 6.737 ( 1.113 0.780 0.148) 1.368 6.906 ( 0.312 -0.703 -0.242) 0.806 6.906 ( 0.312 0.703 -0.242) 0.806 6.946 ( 0.995 -0.827 -0.170) 1.305 6.946 ( 0.995 0.827 -0.170) 1.305 7.089 ( 0.076 -0.121 0.017) 0.143 7.089 ( 0.076 0.121 0.017) 0.143 7.245 ( -0.246 -0.545 0.113) 0.609 7.245 ( -0.246 0.545 0.113) 0.609 7.435 ( 3.012 -0.922 0.144) 3.153 7.435 ( 3.012 0.922 0.144) 3.153 7.472 ( 4.871 -0.438 -0.041) 4.891 7.472 ( 4.871 0.438 -0.041) 4.891 7.666 ( -3.927 -0.048 -0.030) 3.928 7.666 ( -3.927 0.048 -0.030) 3.928 7.936 ( 1.782 -0.702 -0.027) 1.915 7.936 ( 1.782 0.702 -0.027) 1.915 8.481 ( 0.928 -0.409 -0.003) 1.014 8.481 ( 0.928 0.409 -0.003) 1.014 8.521 ( -0.863 -0.183 0.078) 0.886 8.521 ( -0.863 0.183 0.078) 0.886 8.754 ( 0.229 -0.320 0.070) 0.400 8.754 ( 0.229 0.320 0.070) 0.400 8.808 ( 0.148 -0.953 -0.013) 0.965 8.808 ( 0.148 0.953 -0.013) 0.965 8.829 ( 0.250 -0.214 0.050) 0.333 8.829 ( 0.250 0.214 0.050) 0.333 8.881 ( -1.431 -0.528 -0.186) 1.536 8.881 ( -1.431 0.528 -0.186) 1.536 ======================= Grid point 69 (36/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( -1.892 -9.232 -2.113) 9.657 0.983 ( -1.892 9.232 -2.113) 9.657 1.153 ( 2.264 -8.346 -0.157) 8.649 1.153 ( 2.264 8.346 -0.157) 8.649 1.384 ( -1.261 -4.432 1.470) 4.836 1.384 ( -1.261 4.432 1.470) 4.836 1.534 ( 1.403 -7.945 6.284) 10.226 1.534 ( 1.403 7.945 6.284) 10.226 1.706 ( 0.323 -0.882 -4.005) 4.113 1.706 ( 0.323 0.882 -4.005) 4.113 1.982 ( -2.176 -6.068 -4.179) 7.683 1.982 ( -2.176 6.068 -4.179) 7.683 2.231 ( 5.494 -2.020 -1.110) 5.958 2.231 ( 5.494 2.020 -1.110) 5.958 2.332 ( -3.402 -2.393 2.538) 4.873 2.332 ( -3.402 2.393 2.538) 4.873 3.287 ( -1.675 -1.728 3.214) 4.016 3.287 ( -1.675 1.728 3.214) 4.016 3.652 ( -0.120 -3.196 -0.679) 3.269 3.652 ( -0.120 3.196 -0.679) 3.269 3.815 ( -0.008 -5.062 0.168) 5.065 3.815 ( -0.008 5.062 0.168) 5.065 3.945 ( 0.874 -2.190 -1.030) 2.573 3.945 ( 0.874 2.190 -1.030) 2.573 4.108 ( 0.279 -0.324 -0.116) 0.444 4.108 ( 0.279 0.324 -0.116) 0.444 4.220 ( -1.041 -3.063 1.940) 3.772 4.220 ( -1.041 3.063 1.940) 3.772 4.481 ( 4.020 -6.853 -4.534) 9.147 4.481 ( 4.020 6.853 -4.534) 9.147 4.604 ( 0.279 -0.587 -0.211) 0.683 4.604 ( 0.279 0.587 -0.211) 0.683 4.650 ( -1.315 -0.806 -0.910) 1.791 4.650 ( -1.315 0.806 -0.910) 1.791 4.700 ( -2.006 -1.517 -0.107) 2.518 4.700 ( -2.006 1.517 -0.107) 2.518 4.731 ( 1.532 -0.157 0.048) 1.541 4.731 ( 1.532 0.157 0.048) 1.541 4.795 ( -1.735 -3.662 2.522) 4.773 4.795 ( -1.735 3.662 2.522) 4.773 4.943 ( -0.140 -1.743 -2.016) 2.669 4.943 ( -0.140 1.743 -2.016) 2.669 5.103 ( -1.062 -5.033 3.907) 6.459 5.103 ( -1.062 5.033 3.907) 6.459 5.184 ( 0.449 -1.344 0.255) 1.439 5.184 ( 0.449 1.344 0.255) 1.439 5.341 ( -0.254 -0.907 0.411) 1.028 5.341 ( -0.254 0.907 0.411) 1.028 5.445 ( 2.873 -0.951 -1.451) 3.356 5.445 ( 2.873 0.951 -1.451) 3.356 5.655 ( -0.699 -1.090 -0.003) 1.295 5.655 ( -0.699 1.090 -0.003) 1.295 5.737 ( -1.180 -1.980 -1.023) 2.522 5.737 ( -1.180 1.980 -1.023) 2.522 5.829 ( 0.021 -0.918 0.213) 0.943 5.829 ( 0.021 0.918 0.213) 0.943 6.162 ( -1.598 -3.158 -0.760) 3.620 6.162 ( -1.598 3.158 -0.760) 3.620 6.237 ( 2.252 -1.418 1.201) 2.920 6.237 ( 2.252 1.418 1.201) 2.920 6.285 ( 1.638 -0.699 -0.304) 1.807 6.285 ( 1.638 0.699 -0.304) 1.807 6.321 ( -2.075 -1.836 0.555) 2.826 6.321 ( -2.075 1.836 0.555) 2.826 6.563 ( 0.000 -0.286 0.055) 0.292 6.563 ( 0.000 0.286 0.055) 0.292 6.753 ( -0.002 -0.680 0.192) 0.707 6.753 ( -0.002 0.680 0.192) 0.707 6.903 ( -0.113 -1.112 -0.461) 1.209 6.903 ( -0.113 1.112 -0.461) 1.209 6.958 ( 0.120 -0.882 -0.137) 0.900 6.958 ( 0.120 0.882 -0.137) 0.900 7.089 ( -0.113 -0.153 -0.043) 0.195 7.089 ( -0.113 0.153 -0.043) 0.195 7.244 ( 0.025 -0.417 0.232) 0.478 7.244 ( 0.025 0.417 0.232) 0.478 7.466 ( -0.044 -0.796 0.157) 0.813 7.466 ( -0.044 0.796 0.157) 0.813 7.545 ( 0.103 -0.439 0.098) 0.462 7.545 ( 0.103 0.439 0.098) 0.462 7.603 ( -0.030 -0.081 -0.152) 0.175 7.603 ( -0.030 0.081 -0.152) 0.175 7.952 ( -0.021 -0.453 -0.064) 0.458 7.952 ( -0.021 0.453 -0.064) 0.458 8.498 ( 0.157 -0.095 0.040) 0.188 8.498 ( 0.157 0.095 0.040) 0.188 8.506 ( -0.172 -0.465 0.045) 0.498 8.506 ( -0.172 0.465 0.045) 0.498 8.758 ( 0.015 -0.231 0.115) 0.258 8.758 ( 0.015 0.231 0.115) 0.258 8.810 ( -0.288 -0.220 0.134) 0.386 8.810 ( -0.288 0.220 0.134) 0.386 8.826 ( 0.214 -0.643 -0.113) 0.687 8.826 ( 0.214 0.643 -0.113) 0.687 8.869 ( 0.087 -0.266 -0.194) 0.341 8.869 ( 0.087 0.266 -0.194) 0.341 ======================= Grid point 71 (37/63) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -5.109 -4.623 -0.904) 6.950 0.890 ( -5.109 4.623 -0.904) 6.950 1.111 ( -6.009 -6.621 -1.405) 9.051 1.111 ( -6.009 6.621 -1.405) 9.051 1.403 ( 0.938 -4.397 4.070) 6.064 1.403 ( 0.938 4.397 4.070) 6.064 1.581 ( -1.906 -4.680 1.044) 5.160 1.581 ( -1.906 4.680 1.044) 5.160 1.676 ( -0.120 -1.498 -1.002) 1.806 1.676 ( -0.120 1.498 -1.002) 1.806 1.871 ( -7.142 -3.884 -2.501) 8.506 1.871 ( -7.142 3.884 -2.501) 8.506 2.226 ( -0.922 -1.122 -3.256) 3.565 2.226 ( -0.922 1.122 -3.256) 3.565 2.373 ( 2.875 -4.204 2.642) 5.738 2.373 ( 2.875 4.204 2.642) 5.738 3.298 ( -0.004 -2.139 3.172) 3.826 3.298 ( -0.004 2.139 3.172) 3.826 3.628 ( -1.932 -3.768 -0.070) 4.235 3.628 ( -1.932 3.768 -0.070) 4.235 3.822 ( 1.368 -6.061 -1.137) 6.317 3.822 ( 1.368 6.061 -1.137) 6.317 3.950 ( 0.593 -2.470 -0.963) 2.716 3.950 ( 0.593 2.470 -0.963) 2.716 4.102 ( -0.843 -2.369 1.312) 2.836 4.102 ( -0.843 2.369 1.312) 2.836 4.249 ( 2.228 -1.116 0.939) 2.663 4.249 ( 2.228 1.116 0.939) 2.663 4.460 ( -3.180 -4.707 -3.949) 6.918 4.460 ( -3.180 4.707 -3.949) 6.918 4.541 ( -2.704 -3.644 0.569) 4.573 4.541 ( -2.704 3.644 0.569) 4.573 4.613 ( -2.280 -1.120 0.003) 2.540 4.613 ( -2.280 1.120 0.003) 2.540 4.668 ( 0.356 -0.913 0.053) 0.981 4.668 ( 0.356 0.913 0.053) 0.981 4.751 ( -0.509 -4.228 -0.487) 4.286 4.751 ( -0.509 4.228 -0.487) 4.286 4.868 ( 4.458 -0.333 0.299) 4.480 4.868 ( 4.458 0.333 0.299) 4.480 4.930 ( 0.676 -1.470 -1.573) 2.256 4.930 ( 0.676 1.470 -1.573) 2.256 5.122 ( -0.046 -3.192 2.660) 4.155 5.122 ( -0.046 3.192 2.660) 4.155 5.200 ( 0.553 -1.398 0.898) 1.751 5.200 ( 0.553 1.398 0.898) 1.751 5.352 ( 0.828 -0.614 0.303) 1.074 5.352 ( 0.828 0.614 0.303) 1.074 5.499 ( 2.150 -2.819 1.373) 3.801 5.499 ( 2.150 2.819 1.373) 3.801 5.653 ( 1.360 -2.196 -1.258) 2.873 5.653 ( 1.360 2.196 -1.258) 2.873 5.743 ( 2.602 -2.628 -2.130) 4.267 5.743 ( 2.602 2.628 -2.130) 4.267 5.832 ( 0.070 -0.490 0.141) 0.514 5.832 ( 0.070 0.490 0.141) 0.514 6.086 ( -4.421 -0.680 -0.135) 4.475 6.086 ( -4.421 0.680 -0.135) 4.475 6.219 ( -0.331 -2.134 0.264) 2.175 6.219 ( -0.331 2.134 0.264) 2.175 6.300 ( 0.217 -3.516 1.123) 3.698 6.300 ( 0.217 3.516 1.123) 3.698 6.433 ( 7.516 -0.165 -0.095) 7.519 6.433 ( 7.516 0.165 -0.095) 7.519 6.561 ( -0.460 -0.133 0.045) 0.481 6.561 ( -0.460 0.133 0.045) 0.481 6.740 ( -1.147 -0.639 0.217) 1.330 6.740 ( -1.147 0.639 0.217) 1.330 6.894 ( -0.582 -0.959 -0.475) 1.218 6.894 ( -0.582 0.959 -0.475) 1.218 6.950 ( -0.628 -0.704 -0.135) 0.953 6.950 ( -0.628 0.704 -0.135) 0.953 7.084 ( -0.234 -0.265 -0.065) 0.359 7.084 ( -0.234 0.265 -0.065) 0.359 7.248 ( 0.194 -0.496 0.176) 0.561 7.248 ( 0.194 0.496 0.176) 0.561 7.435 ( -3.177 -0.778 0.146) 3.274 7.435 ( -3.177 0.778 0.146) 3.274 7.475 ( -4.673 -0.134 0.039) 4.675 7.475 ( -4.673 0.134 0.039) 4.675 7.666 ( 3.986 -0.106 -0.045) 3.987 7.666 ( 3.986 0.106 -0.045) 3.987 7.934 ( -1.811 -0.234 -0.062) 1.827 7.934 ( -1.811 0.234 -0.062) 1.827 8.483 ( -0.913 -0.461 0.031) 1.023 8.483 ( -0.913 0.461 0.031) 1.023 8.521 ( 0.833 -0.182 0.065) 0.855 8.521 ( 0.833 0.182 0.065) 0.855 8.754 ( -0.362 -0.404 0.082) 0.549 8.754 ( -0.362 0.404 0.082) 0.549 8.806 ( 0.053 -0.687 -0.025) 0.690 8.806 ( 0.053 0.687 -0.025) 0.690 8.829 ( -0.466 -0.831 0.027) 0.953 8.829 ( -0.466 0.831 0.027) 0.953 8.882 ( 1.612 -0.099 -0.166) 1.624 8.882 ( 1.612 0.099 -0.166) 1.624 ======================= Grid point 73 (38/63) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -3.547 -6.168 -0.959) 7.180 0.800 ( -3.547 6.168 -0.959) 7.180 0.968 ( -7.415 -1.859 0.398) 7.655 0.968 ( -7.415 1.859 0.398) 7.655 1.373 ( -11.033 -5.031 1.060) 12.172 1.373 ( -11.033 5.031 1.060) 12.172 1.515 ( -0.729 -2.185 -2.639) 3.503 1.515 ( -0.729 2.185 -2.639) 3.503 1.618 ( -6.780 -5.169 -1.055) 8.590 1.618 ( -6.780 5.169 -1.055) 8.590 1.743 ( -3.435 -5.936 4.224) 8.055 1.743 ( -3.435 5.936 4.224) 8.055 2.216 ( 3.344 -3.253 -5.363) 7.108 2.216 ( 3.344 3.253 -5.363) 7.108 2.424 ( -0.016 -3.602 2.658) 4.476 2.424 ( -0.016 3.602 2.658) 4.476 3.327 ( 0.044 -1.947 3.181) 3.730 3.327 ( 0.044 1.947 3.181) 3.730 3.592 ( -1.636 -4.272 0.834) 4.650 3.592 ( -1.636 4.272 0.834) 4.650 3.850 ( 2.994 -7.293 -3.471) 8.614 3.850 ( 2.994 7.293 -3.471) 8.614 3.961 ( 1.556 -1.796 -0.168) 2.383 3.961 ( 1.556 1.796 -0.168) 2.383 4.111 ( 0.121 -3.329 2.542) 4.191 4.111 ( 0.121 3.329 2.542) 4.191 4.295 ( 1.867 -0.689 -0.315) 2.015 4.295 ( 1.867 0.689 -0.315) 2.015 4.375 ( -2.249 -1.819 -1.485) 3.251 4.375 ( -2.249 1.819 -1.485) 3.251 4.510 ( -2.177 -2.173 0.215) 3.083 4.510 ( -2.177 2.173 0.215) 3.083 4.571 ( -1.212 -2.961 -0.528) 3.243 4.571 ( -1.212 2.961 -0.528) 3.243 4.677 ( 0.177 -0.868 0.104) 0.892 4.677 ( 0.177 0.868 0.104) 0.892 4.731 ( -0.710 -5.211 -0.628) 5.297 4.731 ( -0.710 5.211 -0.628) 5.297 4.907 ( 0.596 -1.512 -0.346) 1.661 4.907 ( 0.596 1.512 -0.346) 1.661 4.962 ( 3.409 -0.300 -2.105) 4.017 4.962 ( 3.409 0.300 -2.105) 4.017 5.141 ( 0.122 -1.631 2.040) 2.615 5.141 ( 0.122 1.631 2.040) 2.615 5.214 ( 0.066 -1.197 1.049) 1.594 5.214 ( 0.066 1.197 1.049) 1.594 5.367 ( 0.447 -0.291 -0.008) 0.533 5.367 ( 0.447 0.291 -0.008) 0.533 5.526 ( -1.538 -4.483 4.207) 6.338 5.526 ( -1.538 4.483 4.207) 6.338 5.673 ( 0.180 -1.395 -0.394) 1.461 5.673 ( 0.180 1.395 -0.394) 1.461 5.757 ( 1.256 -4.313 -4.590) 6.422 5.757 ( 1.256 4.313 -4.590) 6.422 5.843 ( 1.105 -0.362 -0.251) 1.189 5.843 ( 1.105 0.362 -0.251) 1.189 6.064 ( 2.652 -0.635 -0.037) 2.728 6.064 ( 2.652 0.635 -0.037) 2.728 6.232 ( 1.342 -3.428 0.049) 3.681 6.232 ( 1.342 3.428 0.049) 3.681 6.328 ( 1.860 -2.686 1.629) 3.651 6.328 ( 1.860 2.686 1.629) 3.651 6.528 ( -0.332 -0.213 -0.025) 0.395 6.528 ( -0.332 0.213 -0.025) 0.395 6.553 ( 1.917 -0.523 -0.002) 1.987 6.553 ( 1.917 0.523 -0.002) 1.987 6.731 ( 0.393 -0.819 0.174) 0.925 6.731 ( 0.393 0.819 0.174) 0.925 6.870 ( -1.627 -0.704 -0.231) 1.788 6.870 ( -1.627 0.704 -0.231) 1.788 6.940 ( -0.199 -0.494 -0.208) 0.571 6.940 ( -0.199 0.494 -0.208) 0.571 7.081 ( 0.039 -0.576 -0.130) 0.592 7.081 ( 0.039 0.576 -0.130) 0.592 7.250 ( -0.399 -0.712 0.018) 0.817 7.250 ( -0.399 0.712 0.018) 0.817 7.362 ( -3.942 -0.823 0.062) 4.028 7.362 ( -3.942 0.823 0.062) 4.028 7.399 ( -2.885 -0.051 0.101) 2.887 7.399 ( -2.885 0.051 0.101) 2.887 7.735 ( 3.262 -0.177 -0.004) 3.267 7.735 ( 3.262 0.177 -0.004) 3.267 7.880 ( -3.842 -0.223 -0.022) 3.849 7.880 ( -3.842 0.223 -0.022) 3.849 8.468 ( -0.618 -0.595 0.015) 0.858 8.468 ( -0.618 0.595 0.015) 0.858 8.533 ( 0.363 -0.081 0.059) 0.377 8.533 ( 0.363 0.081 0.059) 0.377 8.750 ( -0.121 -0.554 0.045) 0.569 8.750 ( -0.121 0.554 0.045) 0.569 8.801 ( -0.883 -0.218 -0.250) 0.943 8.801 ( -0.883 0.218 -0.250) 0.943 8.821 ( 0.175 -1.553 0.195) 1.575 8.821 ( 0.175 1.553 0.195) 1.575 8.918 ( 1.987 -0.230 -0.107) 2.003 8.918 ( 1.987 0.230 -0.107) 2.003 ======================= Grid point 75 (39/63) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -2.111 -11.539 -3.592) 12.268 0.731 ( -2.111 11.539 -3.592) 12.268 0.788 ( -14.579 -4.243 0.257) 15.186 0.788 ( -14.579 4.243 0.257) 15.186 1.127 ( -8.518 -8.950 2.698) 12.647 1.127 ( -8.518 8.950 2.698) 12.647 1.480 ( -2.522 -1.433 -1.566) 3.296 1.480 ( -2.522 1.433 -1.566) 3.296 1.525 ( -0.456 -2.839 -3.201) 4.303 1.525 ( -0.456 2.839 -3.201) 4.303 1.737 ( -2.371 -7.261 5.386) 9.347 1.737 ( -2.371 7.261 5.386) 9.347 2.241 ( 3.409 -4.295 -5.844) 8.013 2.241 ( 3.409 4.295 -5.844) 8.013 2.430 ( -1.311 -3.134 3.194) 4.663 2.430 ( -1.311 3.134 3.194) 4.663 3.346 ( -0.637 -1.075 3.054) 3.299 3.346 ( -0.637 1.075 3.054) 3.299 3.585 ( -0.217 -4.430 1.255) 4.609 3.585 ( -0.217 4.430 1.255) 4.609 3.859 ( 1.092 -7.202 -3.496) 8.080 3.859 ( 1.092 7.202 -3.496) 8.080 4.017 ( 4.001 -1.961 -0.655) 4.504 4.017 ( 4.001 1.961 -0.655) 4.504 4.141 ( 0.402 -3.144 2.997) 4.362 4.141 ( 0.402 3.144 2.997) 4.362 4.305 ( 0.456 -1.586 -2.234) 2.777 4.305 ( 0.456 1.586 -2.234) 2.777 4.353 ( -0.118 -0.223 0.602) 0.653 4.353 ( -0.118 0.223 0.602) 0.653 4.450 ( -3.763 -0.237 0.008) 3.770 4.450 ( -3.763 0.237 0.008) 3.770 4.567 ( 0.636 -3.574 -0.110) 3.632 4.567 ( 0.636 3.574 -0.110) 3.632 4.674 ( -0.284 -2.317 -0.241) 2.347 4.674 ( -0.284 2.317 -0.241) 2.347 4.721 ( 0.200 -4.696 -0.686) 4.750 4.721 ( 0.200 4.696 -0.686) 4.750 4.916 ( 0.561 -1.809 -0.060) 1.895 4.916 ( 0.561 1.809 -0.060) 1.895 5.001 ( 2.787 -0.278 -2.881) 4.018 5.001 ( 2.787 0.278 -2.881) 4.018 5.163 ( 0.438 -0.989 1.879) 2.168 5.163 ( 0.438 0.989 1.879) 2.168 5.218 ( -0.496 -0.817 0.890) 1.306 5.218 ( -0.496 0.817 0.890) 1.306 5.369 ( -0.150 -0.281 -0.023) 0.319 5.369 ( -0.150 0.281 -0.023) 0.319 5.515 ( -3.520 -5.257 4.711) 7.888 5.515 ( -3.520 5.257 4.711) 7.888 5.636 ( -2.217 -0.990 -0.276) 2.444 5.636 ( -2.217 0.990 -0.276) 2.444 5.765 ( 2.981 -3.492 -3.812) 5.967 5.765 ( 2.981 3.492 -3.812) 5.967 5.853 ( 0.330 -0.776 -0.483) 0.972 5.853 ( 0.330 0.776 -0.483) 0.972 6.129 ( 3.041 -2.844 -0.759) 4.232 6.129 ( 3.041 2.844 -0.759) 4.232 6.259 ( 1.277 -2.722 -0.158) 3.010 6.259 ( 1.277 2.722 -0.158) 3.010 6.408 ( 4.213 -1.748 2.232) 5.078 6.408 ( 4.213 1.748 2.232) 5.078 6.492 ( -1.767 -0.303 0.098) 1.795 6.492 ( -1.767 0.303 0.098) 1.795 6.572 ( -0.410 -0.824 0.009) 0.921 6.572 ( -0.410 0.824 0.009) 0.921 6.753 ( 1.340 -0.981 0.006) 1.660 6.753 ( 1.340 0.981 0.006) 1.660 6.831 ( -2.249 -0.366 0.036) 2.278 6.831 ( -2.249 0.366 0.036) 2.278 6.935 ( -0.180 -0.578 -0.288) 0.671 6.935 ( -0.180 0.578 -0.288) 0.671 7.082 ( 0.064 -0.979 -0.374) 1.050 7.082 ( 0.064 0.979 -0.374) 1.050 7.222 ( -2.125 -0.434 -0.011) 2.169 7.222 ( -2.125 0.434 -0.011) 2.169 7.309 ( -1.434 -0.733 -0.099) 1.613 7.309 ( -1.434 0.733 -0.099) 1.613 7.386 ( 1.360 -0.244 0.151) 1.390 7.386 ( 1.360 0.244 0.151) 1.390 7.782 ( 0.102 -0.685 0.022) 0.693 7.782 ( 0.102 0.685 0.022) 0.693 7.800 ( -2.558 -0.839 -0.003) 2.692 7.800 ( -2.558 0.839 -0.003) 2.692 8.459 ( -0.318 -0.672 0.000) 0.744 8.459 ( -0.318 0.672 0.000) 0.744 8.535 ( -0.106 -0.126 0.018) 0.166 8.535 ( -0.106 0.126 0.018) 0.166 8.748 ( -0.257 -0.430 0.160) 0.525 8.748 ( -0.257 0.430 0.160) 0.525 8.783 ( -0.546 -0.388 -0.265) 0.720 8.783 ( -0.546 0.388 -0.265) 0.720 8.830 ( 0.446 -1.535 0.106) 1.602 8.830 ( 0.446 1.535 0.106) 1.602 8.949 ( 1.199 -0.278 -0.084) 1.234 8.949 ( 1.199 0.278 -0.084) 1.234 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 8.321 0.000 10.465) 13.370 0.593 ( -6.480 0.000 -9.996) 11.913 0.694 ( -7.951 0.000 15.662) 17.564 0.713 ( -2.586 0.000 14.899) 15.122 1.034 ( 1.062 0.000 -10.459) 10.513 1.042 ( 5.622 0.000 -12.623) 13.818 1.461 ( -1.269 0.000 1.954) 2.330 1.478 ( -1.865 0.000 3.978) 4.393 1.484 ( 1.869 0.000 0.378) 1.907 1.560 ( 3.478 0.000 -4.298) 5.529 1.669 ( -1.320 0.000 4.466) 4.657 1.780 ( 1.342 0.000 -6.409) 6.548 2.269 ( -3.635 0.000 3.943) 5.363 2.325 ( -0.363 0.000 1.650) 1.689 2.354 ( 1.590 0.000 -0.276) 1.614 2.418 ( 1.537 0.000 -3.444) 3.771 3.417 ( 0.126 0.000 3.385) 3.388 3.430 ( -0.921 0.000 0.478) 1.038 3.447 ( 0.299 0.000 -1.874) 1.898 3.502 ( 1.199 0.000 -4.758) 4.907 3.916 ( -0.241 0.000 3.484) 3.493 3.973 ( -0.847 0.000 -0.962) 1.282 4.011 ( -1.154 0.000 2.894) 3.115 4.098 ( 1.864 0.000 -3.603) 4.057 4.114 ( -1.797 0.000 1.357) 2.252 4.158 ( 1.760 0.000 -2.137) 2.769 4.274 ( 0.775 0.000 0.400) 0.872 4.282 ( -0.568 0.000 -0.419) 0.706 4.369 ( -0.179 0.000 2.040) 2.048 4.387 ( 0.119 0.000 0.072) 0.139 4.401 ( 0.417 0.000 0.009) 0.417 4.404 ( -0.918 0.000 -0.505) 1.048 4.551 ( -3.351 0.000 8.101) 8.767 4.621 ( 0.998 0.000 -0.604) 1.166 4.639 ( -1.245 0.000 1.028) 1.615 4.654 ( 0.971 0.000 -0.358) 1.035 4.706 ( -1.153 0.000 2.484) 2.738 4.841 ( 2.578 0.000 -5.813) 6.359 4.864 ( -0.288 0.000 0.083) 0.300 4.888 ( 1.883 0.000 -6.128) 6.411 5.003 ( 0.285 0.000 1.067) 1.105 5.021 ( -0.307 0.000 -0.809) 0.865 5.181 ( 0.444 0.000 0.929) 1.030 5.188 ( -0.890 0.000 -0.053) 0.892 5.226 ( 1.363 0.000 0.387) 1.417 5.229 ( -1.204 0.000 -0.003) 1.204 5.357 ( -5.358 0.000 2.992) 6.137 5.401 ( 1.029 0.000 -0.048) 1.030 5.439 ( -0.300 0.000 -1.988) 2.010 5.447 ( 6.576 0.000 -3.754) 7.572 5.634 ( 0.142 0.000 0.546) 0.565 5.643 ( -0.047 0.000 -0.359) 0.362 5.795 ( -3.709 0.000 2.306) 4.368 5.824 ( 1.740 0.000 -0.559) 1.827 5.847 ( 0.488 0.000 0.301) 0.573 5.861 ( 0.207 0.000 -1.288) 1.305 6.096 ( -3.459 0.000 7.786) 8.520 6.187 ( 0.693 0.000 -1.527) 1.677 6.259 ( -0.519 0.000 0.650) 0.832 6.311 ( 2.223 0.000 -4.802) 5.291 6.428 ( -1.716 0.000 0.731) 1.865 6.447 ( 2.122 0.000 -1.188) 2.432 6.472 ( -0.767 0.000 0.158) 0.783 6.477 ( 1.037 0.000 -0.324) 1.087 6.567 ( -0.646 0.000 1.231) 1.390 6.588 ( 0.265 0.000 -0.835) 0.876 6.755 ( -0.660 0.000 1.128) 1.307 6.779 ( 0.677 0.000 -1.255) 1.426 6.800 ( -2.469 0.000 1.091) 2.699 6.820 ( 2.597 0.000 -0.905) 2.751 6.923 ( -0.253 0.000 0.863) 0.899 6.935 ( 0.039 0.000 -0.324) 0.326 7.066 ( 0.027 0.000 0.521) 0.521 7.077 ( 0.156 0.000 -0.665) 0.683 7.193 ( -0.319 0.000 0.158) 0.356 7.193 ( 0.224 0.000 0.158) 0.274 7.291 ( -1.384 0.000 0.605) 1.510 7.306 ( 1.138 0.000 -0.866) 1.430 7.393 ( -2.158 0.000 1.102) 2.423 7.419 ( 2.607 0.000 -1.521) 3.018 7.738 ( -1.829 0.000 1.230) 2.204 7.754 ( 1.084 0.000 -0.371) 1.146 7.811 ( 0.568 0.000 -0.189) 0.599 7.812 ( -0.223 0.000 -0.242) 0.329 8.447 ( -0.405 0.000 0.699) 0.808 8.462 ( 0.368 0.000 -0.772) 0.855 8.534 ( 0.150 0.000 0.179) 0.234 8.538 ( 0.007 0.000 -0.199) 0.199 8.748 ( -0.154 0.000 0.315) 0.351 8.755 ( 0.116 0.000 -0.398) 0.415 8.757 ( 0.277 0.000 0.659) 0.714 8.772 ( -0.046 0.000 -0.822) 0.823 8.829 ( -0.134 0.000 1.472) 1.478 8.856 ( 0.046 0.000 -1.235) 1.236 8.957 ( -0.304 0.000 0.386) 0.492 8.965 ( 0.321 0.000 -0.334) 0.463 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 15.793 0.000 -6.812) 17.200 0.695 ( -0.090 0.000 13.853) 13.853 0.822 ( 1.393 0.000 13.846) 13.916 0.880 ( 18.087 0.000 1.249) 18.130 0.990 ( 6.593 0.000 -2.233) 6.961 1.108 ( 13.125 0.000 -12.463) 18.099 1.408 ( -3.440 0.000 3.054) 4.600 1.519 ( 2.811 0.000 -2.856) 4.008 1.522 ( 2.363 0.000 -0.399) 2.396 1.581 ( 2.240 0.000 -3.698) 4.324 1.724 ( 2.667 0.000 5.327) 5.958 1.778 ( 3.373 0.000 -6.038) 6.916 2.195 ( -7.438 0.000 4.476) 8.681 2.337 ( 0.246 0.000 -1.214) 1.238 2.362 ( -0.676 0.000 2.439) 2.531 2.437 ( 3.151 0.000 -3.610) 4.792 3.403 ( -2.471 0.000 2.490) 3.508 3.427 ( -0.154 0.000 -2.537) 2.541 3.450 ( 0.284 0.000 1.743) 1.766 3.495 ( 1.519 0.000 -3.733) 4.030 3.946 ( 0.199 0.000 3.306) 3.312 3.952 ( -0.761 0.000 -0.042) 0.762 4.007 ( -1.044 0.000 1.619) 1.927 4.034 ( -6.721 0.000 2.710) 7.246 4.081 ( -0.045 0.000 -4.409) 4.410 4.107 ( -3.820 0.000 -1.894) 4.264 4.283 ( 1.326 0.000 -0.950) 1.631 4.293 ( 0.363 0.000 0.332) 0.492 4.375 ( -0.932 0.000 -0.558) 1.086 4.378 ( -0.728 0.000 1.980) 2.109 4.444 ( 2.774 0.000 0.415) 2.804 4.447 ( 4.574 0.000 0.037) 4.574 4.545 ( -2.911 0.000 5.414) 6.147 4.635 ( -0.357 0.000 1.990) 2.022 4.636 ( 0.993 0.000 -0.631) 1.177 4.665 ( 0.624 0.000 -0.471) 0.781 4.709 ( -1.036 0.000 3.679) 3.822 4.849 ( 4.352 0.000 -8.427) 9.484 4.859 ( -0.312 0.000 0.196) 0.368 4.881 ( 1.094 0.000 -2.928) 3.125 4.996 ( -1.284 0.000 -1.062) 1.667 5.001 ( -1.186 0.000 0.935) 1.510 5.170 ( -3.981 0.000 2.981) 4.973 5.172 ( -0.775 0.000 -0.049) 0.776 5.210 ( -0.513 0.000 -0.778) 0.932 5.242 ( 0.001 0.000 0.191) 0.191 5.312 ( 0.151 0.000 0.105) 0.184 5.408 ( -0.378 0.000 0.612) 0.720 5.416 ( -0.440 0.000 -2.202) 2.245 5.547 ( 6.515 0.000 -4.662) 8.011 5.647 ( 0.579 0.000 -0.643) 0.865 5.651 ( 1.443 0.000 0.767) 1.634 5.749 ( -3.338 0.000 3.221) 4.639 5.832 ( -0.618 0.000 0.156) 0.637 5.856 ( 0.064 0.000 0.353) 0.359 5.886 ( 3.618 0.000 -1.062) 3.771 6.084 ( -4.257 0.000 7.317) 8.466 6.160 ( -2.883 0.000 -0.591) 2.943 6.232 ( -3.228 0.000 1.244) 3.459 6.305 ( 0.776 0.000 -5.678) 5.731 6.342 ( -5.057 0.000 0.392) 5.072 6.403 ( -5.786 0.000 -0.964) 5.866 6.489 ( 2.101 0.000 0.216) 2.112 6.493 ( 1.892 0.000 -0.300) 1.916 6.576 ( 0.190 0.000 1.115) 1.131 6.585 ( -0.149 0.000 -0.737) 0.752 6.735 ( -1.953 0.000 1.093) 2.238 6.762 ( -1.073 0.000 -1.052) 1.503 6.810 ( 2.126 0.000 0.812) 2.276 6.876 ( 2.634 0.000 -0.655) 2.714 6.930 ( 0.406 0.000 0.523) 0.662 6.934 ( 0.172 0.000 -0.320) 0.363 7.076 ( 0.438 0.000 0.439) 0.620 7.081 ( 0.579 0.000 -0.767) 0.960 7.215 ( 2.120 0.000 -0.313) 2.143 7.215 ( 1.044 0.000 0.637) 1.223 7.285 ( 0.637 0.000 1.072) 1.247 7.331 ( 1.838 0.000 -0.470) 1.897 7.351 ( -0.786 0.000 0.011) 0.786 7.418 ( -0.592 0.000 -0.931) 1.103 7.773 ( 2.697 0.000 1.251) 2.972 7.783 ( -1.151 0.000 0.626) 1.310 7.788 ( -0.888 0.000 -0.634) 1.091 7.830 ( 3.895 0.000 -0.867) 3.991 8.449 ( 0.032 0.000 0.763) 0.764 8.465 ( 0.576 0.000 -0.681) 0.892 8.537 ( 0.037 0.000 -0.144) 0.149 8.537 ( 0.005 0.000 0.015) 0.016 8.749 ( -0.208 0.000 0.525) 0.565 8.761 ( 0.715 0.000 -0.467) 0.854 8.764 ( 0.155 0.000 -0.854) 0.867 8.771 ( 0.716 0.000 0.414) 0.827 8.836 ( -0.326 0.000 1.450) 1.486 8.843 ( -0.316 0.000 -1.244) 1.283 8.943 ( -1.515 0.000 0.330) 1.551 8.957 ( -0.839 0.000 -0.360) 0.913 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 4.279 0.000 11.775) 12.528 0.887 ( -1.486 0.000 -1.798) 2.333 0.911 ( 14.350 0.000 -5.333) 15.309 0.958 ( 2.815 0.000 9.503) 9.912 1.316 ( 14.205 0.000 -8.791) 16.705 1.386 ( 1.210 0.000 0.685) 1.391 1.402 ( 13.433 0.000 3.698) 13.933 1.553 ( 3.463 0.000 -5.468) 6.473 1.581 ( 0.420 0.000 -1.326) 1.392 1.589 ( 8.143 0.000 -0.724) 8.175 1.796 ( 3.424 0.000 -5.446) 6.433 1.857 ( 7.331 0.000 4.489) 8.596 2.083 ( -7.601 0.000 5.653) 9.473 2.287 ( -2.410 0.000 -3.828) 4.524 2.385 ( -1.004 0.000 4.166) 4.286 2.453 ( 0.785 0.000 -3.690) 3.772 3.374 ( -2.902 0.000 3.029) 4.195 3.406 ( 0.391 0.000 -3.766) 3.787 3.457 ( -0.656 0.000 1.349) 1.500 3.499 ( 1.732 0.000 -2.207) 2.806 3.923 ( -4.530 0.000 1.763) 4.861 3.957 ( 1.074 0.000 0.788) 1.332 3.977 ( -2.187 0.000 -1.547) 2.679 3.989 ( -0.808 0.000 4.242) 4.318 4.046 ( 0.513 0.000 -4.066) 4.099 4.049 ( -0.594 0.000 0.120) 0.606 4.267 ( -3.149 0.000 -0.206) 3.156 4.303 ( 0.028 0.000 -0.105) 0.109 4.380 ( 1.400 0.000 -0.413) 1.459 4.388 ( 2.637 0.000 1.135) 2.871 4.480 ( -1.266 0.000 3.950) 4.148 4.531 ( 4.121 0.000 -0.731) 4.185 4.551 ( 1.066 0.000 2.115) 2.369 4.636 ( 0.260 0.000 -2.500) 2.513 4.651 ( 0.635 0.000 0.454) 0.781 4.682 ( 1.128 0.000 0.365) 1.185 4.727 ( -1.232 0.000 6.042) 6.166 4.855 ( -0.319 0.000 0.386) 0.501 4.869 ( 4.346 0.000 -9.020) 10.012 4.882 ( 1.226 0.000 -1.161) 1.689 4.960 ( -1.468 0.000 -1.172) 1.878 4.977 ( -1.903 0.000 0.293) 1.926 5.090 ( -6.641 0.000 4.102) 7.806 5.159 ( -0.610 0.000 0.302) 0.681 5.192 ( -0.583 0.000 -1.626) 1.727 5.238 ( -0.238 0.000 -0.857) 0.889 5.336 ( 2.108 0.000 -1.282) 2.467 5.390 ( -0.367 0.000 -1.891) 1.927 5.400 ( -0.898 0.000 0.530) 1.043 5.572 ( -1.171 0.000 -3.178) 3.387 5.652 ( 0.548 0.000 -0.543) 0.771 5.689 ( 0.581 0.000 -0.090) 0.588 5.747 ( 0.784 0.000 3.604) 3.688 5.822 ( -0.615 0.000 0.379) 0.723 5.851 ( -0.517 0.000 -0.063) 0.521 5.965 ( 4.093 0.000 -0.267) 4.102 6.045 ( -4.343 0.000 3.386) 5.507 6.075 ( -3.968 0.000 0.238) 3.975 6.152 ( -6.629 0.000 5.103) 8.366 6.241 ( -1.349 0.000 -2.678) 2.998 6.298 ( -3.210 0.000 -0.534) 3.254 6.315 ( 1.449 0.000 -3.854) 4.117 6.529 ( 0.589 0.000 -0.173) 0.614 6.534 ( 1.722 0.000 0.059) 1.723 6.549 ( -3.270 0.000 -0.489) 3.306 6.558 ( -2.542 0.000 0.555) 2.602 6.715 ( -0.710 0.000 0.946) 1.183 6.740 ( -0.004 0.000 -0.841) 0.841 6.865 ( 2.468 0.000 0.984) 2.657 6.899 ( 0.315 0.000 0.363) 0.481 6.935 ( 0.179 0.000 -0.262) 0.318 6.944 ( 0.941 0.000 -0.468) 1.051 7.084 ( 0.377 0.000 -0.672) 0.771 7.084 ( 0.127 0.000 0.187) 0.226 7.223 ( -0.475 0.000 1.223) 1.312 7.239 ( 0.604 0.000 -0.255) 0.655 7.345 ( 4.020 0.000 1.036) 4.151 7.379 ( 4.094 0.000 -0.409) 4.115 7.388 ( 3.678 0.000 -0.846) 3.774 7.424 ( 2.280 0.000 -0.551) 2.346 7.732 ( -3.213 0.000 0.020) 3.213 7.736 ( -3.499 0.000 0.225) 3.507 7.863 ( 3.965 0.000 0.344) 3.980 7.907 ( 3.730 0.000 -0.456) 3.758 8.460 ( 0.444 0.000 0.746) 0.868 8.473 ( 0.717 0.000 -0.538) 0.897 8.534 ( -0.450 0.000 0.100) 0.461 8.534 ( -0.331 0.000 -0.001) 0.331 8.749 ( -0.152 0.000 0.526) 0.548 8.757 ( 0.126 0.000 -0.676) 0.688 8.781 ( 1.433 0.000 -0.651) 1.574 8.785 ( 0.249 0.000 0.526) 0.582 8.828 ( -0.134 0.000 -1.040) 1.049 8.844 ( 0.170 0.000 1.092) 1.105 8.907 ( -2.354 0.000 0.285) 2.371 8.929 ( -1.585 0.000 -0.378) 1.630 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -1.516 0.000 5.101) 5.321 1.024 ( 4.240 0.000 11.735) 12.478 1.058 ( 7.192 0.000 -4.969) 8.742 1.152 ( 10.777 0.000 0.643) 10.796 1.393 ( 2.651 0.000 -3.912) 4.726 1.408 ( -1.409 0.000 -1.386) 1.976 1.514 ( -1.287 0.000 -2.966) 3.234 1.522 ( 2.282 0.000 -0.977) 2.482 1.622 ( 4.197 0.000 -2.982) 5.149 1.722 ( -0.367 0.000 -1.745) 1.783 1.918 ( 12.201 0.000 0.578) 12.214 1.985 ( -2.344 0.000 6.595) 6.999 2.091 ( 7.010 0.000 2.312) 7.381 2.203 ( -2.411 0.000 -4.709) 5.291 2.376 ( -3.086 0.000 3.432) 4.615 2.400 ( -2.531 0.000 -3.658) 4.448 3.338 ( -3.490 0.000 3.282) 4.791 3.380 ( 0.608 0.000 -4.204) 4.248 3.462 ( 0.243 0.000 1.236) 1.260 3.522 ( 1.805 0.000 -1.923) 2.637 3.877 ( -1.707 0.000 1.845) 2.513 3.921 ( -1.522 0.000 -1.190) 1.932 4.000 ( -1.761 0.000 3.817) 4.203 4.015 ( 4.355 0.000 -2.811) 5.184 4.051 ( 3.293 0.000 -3.240) 4.619 4.065 ( 1.237 0.000 2.612) 2.891 4.187 ( -4.945 0.000 0.237) 4.950 4.260 ( -3.569 0.000 -0.242) 3.577 4.452 ( 4.143 0.000 -0.158) 4.146 4.488 ( 0.681 0.000 4.897) 4.944 4.492 ( 6.273 0.000 2.655) 6.812 4.590 ( 3.088 0.000 -1.265) 3.337 4.608 ( 3.003 0.000 1.132) 3.210 4.616 ( 0.315 0.000 -2.882) 2.900 4.655 ( -0.084 0.000 -0.812) 0.817 4.697 ( 0.169 0.000 -0.867) 0.884 4.758 ( -1.153 0.000 6.930) 7.025 4.824 ( -5.747 0.000 -0.006) 5.747 4.852 ( -0.604 0.000 0.290) 0.670 4.910 ( 2.149 0.000 -4.626) 5.101 4.920 ( -4.448 0.000 -0.470) 4.473 4.927 ( 1.977 0.000 -4.891) 5.275 5.021 ( -2.603 0.000 3.205) 4.129 5.155 ( -1.058 0.000 -0.727) 1.284 5.158 ( -0.337 0.000 -1.148) 1.197 5.219 ( -0.745 0.000 -1.289) 1.489 5.363 ( 2.087 0.000 -2.022) 2.906 5.376 ( 0.398 0.000 -1.336) 1.394 5.384 ( -1.095 0.000 0.267) 1.127 5.465 ( -7.330 0.000 0.494) 7.347 5.664 ( 0.946 0.000 0.192) 0.965 5.699 ( 1.085 0.000 -0.876) 1.395 5.758 ( -1.652 0.000 2.258) 2.798 5.815 ( -0.466 0.000 0.550) 0.721 5.847 ( -0.052 0.000 -0.721) 0.723 5.892 ( -7.013 0.000 0.020) 7.013 6.092 ( 5.421 0.000 -0.090) 5.422 6.107 ( -4.488 0.000 8.661) 9.755 6.116 ( 7.358 0.000 -0.123) 7.359 6.216 ( 0.492 0.000 -1.906) 1.968 6.260 ( -1.117 0.000 -0.037) 1.118 6.314 ( 2.047 0.000 -4.820) 5.236 6.435 ( -7.444 0.000 -0.261) 7.448 6.435 ( -7.611 0.000 0.166) 7.613 6.558 ( 0.228 0.000 0.114) 0.255 6.561 ( 0.655 0.000 -0.167) 0.676 6.727 ( 0.947 0.000 0.649) 1.148 6.749 ( 1.250 0.000 -0.778) 1.472 6.903 ( -0.379 0.000 1.131) 1.193 6.911 ( 1.392 0.000 0.642) 1.533 6.938 ( 0.281 0.000 0.059) 0.288 6.959 ( 1.148 0.000 -0.890) 1.452 7.086 ( 0.305 0.000 -0.440) 0.536 7.086 ( 0.089 0.000 -0.062) 0.109 7.229 ( -0.024 0.000 1.069) 1.069 7.243 ( 0.102 0.000 -0.052) 0.115 7.424 ( 2.929 0.000 0.864) 3.054 7.448 ( 3.185 0.000 -0.910) 3.312 7.469 ( 4.942 0.000 -0.223) 4.947 7.487 ( 4.335 0.000 -0.544) 4.369 7.663 ( -4.146 0.000 0.123) 4.148 7.664 ( -3.954 0.000 0.074) 3.955 7.924 ( 2.120 0.000 0.315) 2.143 7.953 ( 1.495 0.000 -0.406) 1.549 8.478 ( 0.818 0.000 0.602) 1.016 8.485 ( 0.930 0.000 -0.344) 0.991 8.520 ( -1.098 0.000 0.247) 1.125 8.525 ( -0.624 0.000 -0.131) 0.638 8.754 ( 0.282 0.000 0.374) 0.469 8.759 ( 0.550 0.000 -0.492) 0.738 8.789 ( -0.291 0.000 0.745) 0.800 8.799 ( 1.088 0.000 -0.920) 1.425 8.823 ( 0.348 0.000 -0.702) 0.784 8.848 ( -1.694 0.000 0.947) 1.941 8.872 ( -0.437 0.000 0.037) 0.439 8.897 ( -1.359 0.000 -0.253) 1.382 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -3.339 0.000 9.937) 10.483 1.101 ( 1.630 0.000 -11.348) 11.464 1.144 ( -1.844 0.000 10.631) 10.790 1.278 ( -1.772 0.000 4.971) 5.278 1.349 ( 2.732 0.000 -4.921) 5.629 1.428 ( 4.641 0.000 -5.588) 7.264 1.463 ( -3.527 0.000 2.303) 4.213 1.537 ( 0.661 0.000 -2.193) 2.291 1.645 ( -4.913 0.000 -1.188) 5.055 1.683 ( 4.178 0.000 -2.516) 4.877 2.010 ( -0.091 0.000 7.023) 7.024 2.117 ( 6.476 0.000 1.101) 6.569 2.135 ( 0.452 0.000 -5.052) 5.072 2.142 ( -4.709 0.000 -0.897) 4.793 2.323 ( -4.951 0.000 2.732) 5.655 2.373 ( 3.599 0.000 -2.309) 4.276 3.306 ( -2.125 0.000 2.978) 3.658 3.376 ( 2.699 0.000 -4.037) 4.856 3.482 ( 0.459 0.000 1.583) 1.648 3.522 ( 0.104 0.000 -2.535) 2.537 3.877 ( 0.166 0.000 1.120) 1.132 3.901 ( 0.419 0.000 -1.270) 1.338 3.983 ( -3.184 0.000 3.844) 4.992 4.047 ( 1.002 0.000 -2.000) 2.237 4.090 ( -4.395 0.000 -0.105) 4.396 4.105 ( 3.181 0.000 -0.921) 3.312 4.148 ( 4.258 0.000 2.080) 4.739 4.193 ( -1.516 0.000 -2.310) 2.763 4.472 ( -2.669 0.000 7.299) 7.772 4.545 ( -4.168 0.000 0.472) 4.195 4.605 ( 3.499 0.000 1.674) 3.879 4.619 ( -1.037 0.000 -0.050) 1.039 4.631 ( -0.726 0.000 -0.649) 0.973 4.638 ( -1.105 0.000 -1.461) 1.831 4.689 ( -1.149 0.000 0.161) 1.160 4.704 ( 6.882 0.000 -0.455) 6.898 4.732 ( 5.647 0.000 0.171) 5.649 4.741 ( -9.035 0.000 -1.055) 9.097 4.794 ( -1.291 0.000 4.706) 4.879 4.874 ( 0.101 0.000 0.764) 0.771 4.889 ( -0.624 0.000 -1.162) 1.319 4.948 ( 4.992 0.000 -10.011) 11.186 5.040 ( 1.202 0.000 3.251) 3.466 5.108 ( -0.386 0.000 -3.686) 3.706 5.169 ( 0.459 0.000 1.137) 1.226 5.193 ( -0.776 0.000 -1.255) 1.475 5.353 ( -2.973 0.000 1.508) 3.334 5.377 ( -1.565 0.000 0.523) 1.650 5.378 ( 1.287 0.000 -1.448) 1.937 5.399 ( 3.180 0.000 -1.614) 3.567 5.685 ( 0.496 0.000 0.704) 0.861 5.696 ( -0.921 0.000 -0.481) 1.038 5.777 ( 2.675 0.000 1.217) 2.939 5.796 ( -2.103 0.000 -0.574) 2.180 5.816 ( 0.020 0.000 0.826) 0.826 5.835 ( -0.233 0.000 -1.036) 1.062 6.100 ( -3.828 0.000 8.718) 9.522 6.183 ( 1.521 0.000 -0.443) 1.584 6.217 ( -3.453 0.000 0.084) 3.454 6.263 ( 6.014 0.000 -1.747) 6.263 6.264 ( 3.245 0.000 0.493) 3.282 6.279 ( -6.384 0.000 -1.488) 6.556 6.311 ( -0.493 0.000 -0.338) 0.598 6.321 ( 2.467 0.000 -3.225) 4.060 6.560 ( -0.111 0.000 0.267) 0.290 6.565 ( 0.057 0.000 -0.258) 0.264 6.744 ( -0.015 0.000 0.584) 0.584 6.758 ( 0.100 0.000 -0.835) 0.841 6.906 ( -0.380 0.000 1.367) 1.418 6.923 ( 0.042 0.000 -0.284) 0.287 6.947 ( -0.143 0.000 0.847) 0.859 6.965 ( 0.119 0.000 -0.921) 0.929 7.086 ( -0.066 0.000 -0.134) 0.150 7.087 ( 0.169 0.000 -0.276) 0.324 7.235 ( -0.030 0.000 0.701) 0.702 7.245 ( 0.246 0.000 -0.229) 0.336 7.458 ( -0.236 0.000 0.842) 0.875 7.475 ( 0.218 0.000 -0.870) 0.897 7.542 ( -0.076 0.000 0.218) 0.231 7.550 ( -0.462 0.000 -0.566) 0.731 7.599 ( 0.094 0.000 0.160) 0.186 7.601 ( 0.273 0.000 -0.018) 0.274 7.950 ( 0.397 0.000 0.429) 0.584 7.959 ( -0.397 0.000 -0.482) 0.625 8.497 ( -0.520 0.000 0.142) 0.539 8.500 ( 0.401 0.000 -0.095) 0.412 8.501 ( 0.191 0.000 0.612) 0.641 8.512 ( -0.075 0.000 -0.410) 0.416 8.759 ( -0.225 0.000 0.253) 0.339 8.765 ( 0.232 0.000 -0.333) 0.406 8.791 ( -0.155 0.000 0.607) 0.627 8.806 ( 0.298 0.000 -0.859) 0.910 8.815 ( -1.512 0.000 0.890) 1.754 8.833 ( 1.639 0.000 -0.917) 1.878 8.877 ( 0.319 0.000 0.147) 0.352 8.878 ( -0.584 0.000 0.045) 0.586 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -7.210 0.000 10.423) 12.674 0.944 ( -9.580 0.000 -1.405) 9.683 1.129 ( -5.009 0.000 5.072) 7.129 1.229 ( -4.399 0.000 -8.018) 9.145 1.356 ( 4.390 0.000 -2.461) 5.033 1.425 ( -4.482 0.000 -1.708) 4.797 1.468 ( -0.687 0.000 3.653) 3.717 1.506 ( -2.562 0.000 -0.337) 2.584 1.572 ( -0.881 0.000 -0.552) 1.040 1.723 ( 1.284 0.000 -1.222) 1.773 1.947 ( -13.690 0.000 -2.029) 13.839 2.090 ( 2.292 0.000 6.869) 7.242 2.096 ( -2.558 0.000 -4.524) 5.198 2.149 ( -0.366 0.000 -3.923) 3.940 2.316 ( 1.803 0.000 5.046) 5.358 2.434 ( 3.725 0.000 -2.555) 4.517 3.310 ( -0.096 0.000 2.875) 2.877 3.412 ( 4.104 0.000 -4.342) 5.974 3.494 ( -0.664 0.000 1.126) 1.307 3.498 ( 0.089 0.000 -2.387) 2.389 3.899 ( 1.390 0.000 0.970) 1.695 3.911 ( 1.690 0.000 -1.642) 2.356 3.945 ( -3.818 0.000 3.846) 5.419 3.988 ( -4.393 0.000 2.799) 5.209 4.070 ( 1.455 0.000 -2.987) 3.323 4.110 ( -0.771 0.000 -1.359) 1.562 4.209 ( 4.169 0.000 -2.061) 4.650 4.247 ( 4.498 0.000 0.801) 4.569 4.416 ( -7.448 0.000 2.265) 7.785 4.481 ( -3.315 0.000 8.678) 9.289 4.531 ( -8.906 0.000 -0.903) 8.951 4.578 ( -0.526 0.000 -3.091) 3.135 4.593 ( -1.986 0.000 0.376) 2.021 4.630 ( -2.649 0.000 -1.125) 2.878 4.643 ( 0.165 0.000 0.138) 0.215 4.661 ( -0.292 0.000 2.532) 2.549 4.771 ( -1.932 0.000 3.131) 3.679 4.855 ( 1.089 0.000 -0.546) 1.218 4.860 ( 3.372 0.000 -0.520) 3.412 4.898 ( 2.160 0.000 0.757) 2.289 4.899 ( 4.388 0.000 0.259) 4.395 4.950 ( 3.881 0.000 -10.152) 10.868 5.100 ( 1.957 0.000 3.107) 3.672 5.109 ( 4.906 0.000 -5.309) 7.228 5.173 ( -0.238 0.000 -0.932) 0.962 5.191 ( 0.705 0.000 1.518) 1.674 5.327 ( -1.310 0.000 1.546) 2.026 5.367 ( 0.005 0.000 -0.012) 0.013 5.395 ( 1.510 0.000 -1.119) 1.879 5.464 ( 3.559 0.000 0.325) 3.574 5.669 ( -1.417 0.000 -0.288) 1.446 5.689 ( -0.063 0.000 0.311) 0.317 5.803 ( 3.236 0.000 -2.274) 3.955 5.826 ( 0.214 0.000 -0.563) 0.602 5.830 ( 0.492 0.000 1.008) 1.122 5.876 ( 6.051 0.000 1.440) 6.220 6.086 ( -5.096 0.000 2.690) 5.762 6.111 ( -7.305 0.000 0.350) 7.313 6.111 ( -4.035 0.000 5.967) 7.203 6.220 ( 1.910 0.000 -1.547) 2.458 6.272 ( 0.462 0.000 0.228) 0.515 6.303 ( 2.422 0.000 -5.614) 6.114 6.431 ( 7.112 0.000 0.152) 7.113 6.438 ( 7.807 0.000 -0.081) 7.807 6.558 ( -0.407 0.000 0.153) 0.435 6.560 ( -0.532 0.000 -0.048) 0.534 6.734 ( -1.318 0.000 0.724) 1.504 6.742 ( -0.629 0.000 -0.907) 1.104 6.907 ( -0.698 0.000 1.019) 1.235 6.915 ( -0.882 0.000 0.112) 0.889 6.943 ( -0.605 0.000 0.564) 0.827 6.948 ( -0.992 0.000 -0.883) 1.328 7.081 ( -0.379 0.000 0.002) 0.379 7.088 ( 0.131 0.000 -0.244) 0.277 7.239 ( -0.127 0.000 0.427) 0.446 7.248 ( 0.503 0.000 -0.791) 0.937 7.429 ( -3.427 0.000 0.992) 3.568 7.442 ( -2.746 0.000 -0.952) 2.906 7.468 ( -5.120 0.000 -0.067) 5.121 7.476 ( -4.500 0.000 0.492) 4.526 7.665 ( 4.036 0.000 -0.051) 4.036 7.665 ( 3.994 0.000 -0.035) 3.994 7.932 ( -1.980 0.000 -0.584) 2.064 7.944 ( -1.626 0.000 0.568) 1.723 8.477 ( -1.166 0.000 0.429) 1.243 8.489 ( -0.645 0.000 -0.447) 0.785 8.521 ( 0.829 0.000 0.228) 0.860 8.525 ( 0.957 0.000 -0.171) 0.972 8.750 ( -0.708 0.000 0.358) 0.794 8.761 ( -0.086 0.000 -0.414) 0.423 8.783 ( -0.794 0.000 0.672) 1.040 8.804 ( 0.194 0.000 -0.791) 0.815 8.811 ( -0.282 0.000 0.505) 0.579 8.864 ( 0.846 0.000 -0.574) 1.022 8.873 ( 1.308 0.000 -0.210) 1.324 8.890 ( 1.041 0.000 0.398) 1.115 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -13.160 0.000 9.679) 16.336 0.773 ( -10.180 0.000 7.260) 12.504 1.078 ( -2.447 0.000 -10.131) 10.422 1.100 ( 1.504 0.000 -3.738) 4.030 1.204 ( -18.729 0.000 2.528) 18.899 1.425 ( 4.406 0.000 -3.334) 5.525 1.438 ( -5.879 0.000 5.760) 8.230 1.448 ( -5.259 0.000 -0.879) 5.332 1.570 ( -0.110 0.000 -0.759) 0.767 1.591 ( -16.012 0.000 -1.569) 16.088 1.731 ( -2.718 0.000 1.385) 3.051 1.945 ( -5.705 0.000 -4.599) 7.328 2.190 ( 6.594 0.000 -5.316) 8.470 2.193 ( 2.577 0.000 5.875) 6.416 2.369 ( -1.245 0.000 4.839) 4.996 2.457 ( 1.021 0.000 -3.251) 3.407 3.341 ( 0.761 0.000 2.721) 2.826 3.435 ( 1.712 0.000 -3.293) 3.712 3.475 ( -1.708 0.000 0.579) 1.803 3.508 ( 2.982 0.000 -3.669) 4.728 3.910 ( -2.700 0.000 3.566) 4.473 3.933 ( 0.803 0.000 2.310) 2.446 3.954 ( 3.438 0.000 1.520) 3.759 3.985 ( 2.125 0.000 0.050) 2.126 4.067 ( 1.039 0.000 -3.221) 3.384 4.093 ( 0.992 0.000 -2.972) 3.134 4.271 ( 3.059 0.000 -0.694) 3.137 4.293 ( -1.495 0.000 0.644) 1.628 4.363 ( 1.208 0.000 1.199) 1.702 4.397 ( -4.776 0.000 0.605) 4.814 4.481 ( -3.561 0.000 6.284) 7.223 4.520 ( -3.510 0.000 -1.049) 3.663 4.562 ( -2.464 0.000 2.870) 3.783 4.599 ( 0.733 0.000 -2.267) 2.383 4.642 ( -0.507 0.000 0.635) 0.813 4.666 ( -1.127 0.000 2.328) 2.586 4.741 ( -2.941 0.000 2.254) 3.706 4.849 ( 0.314 0.000 -1.774) 1.801 4.876 ( -0.242 0.000 0.197) 0.311 4.931 ( 3.333 0.000 -10.478) 10.995 4.943 ( 1.622 0.000 0.590) 1.725 4.976 ( 2.514 0.000 0.457) 2.556 5.148 ( 0.556 0.000 2.203) 2.272 5.172 ( 0.827 0.000 -0.333) 0.892 5.178 ( 4.270 0.000 -3.447) 5.488 5.223 ( 2.349 0.000 -0.208) 2.358 5.319 ( -0.172 0.000 0.074) 0.188 5.375 ( 0.727 0.000 0.100) 0.734 5.413 ( 1.063 0.000 -0.868) 1.373 5.504 ( -1.150 0.000 2.998) 3.211 5.644 ( -1.078 0.000 0.232) 1.103 5.692 ( -0.187 0.000 -0.225) 0.292 5.815 ( -0.756 0.000 -3.039) 3.132 5.828 ( 0.400 0.000 -0.313) 0.508 5.847 ( 1.313 0.000 0.132) 1.320 5.942 ( -4.783 0.000 2.060) 5.208 6.063 ( 5.507 0.000 0.086) 5.507 6.066 ( 0.968 0.000 3.039) 3.189 6.133 ( 1.426 0.000 5.429) 5.613 6.266 ( 4.768 0.000 -2.759) 5.509 6.293 ( 1.848 0.000 -0.273) 1.868 6.305 ( 2.165 0.000 -3.709) 4.295 6.524 ( -1.260 0.000 0.307) 1.297 6.534 ( 0.420 0.000 0.156) 0.448 6.542 ( 1.093 0.000 0.193) 1.110 6.567 ( 3.232 0.000 -0.328) 3.249 6.722 ( -0.199 0.000 0.931) 0.953 6.735 ( 1.009 0.000 -1.108) 1.499 6.882 ( -2.183 0.000 -0.623) 2.270 6.892 ( -1.831 0.000 0.985) 2.079 6.929 ( -0.614 0.000 0.294) 0.681 6.940 ( -0.039 0.000 0.003) 0.039 7.073 ( -0.505 0.000 0.317) 0.596 7.089 ( 0.157 0.000 -0.318) 0.355 7.234 ( -0.826 0.000 0.308) 0.881 7.250 ( 0.483 0.000 -1.377) 1.459 7.361 ( -3.913 0.000 1.315) 4.128 7.367 ( -3.611 0.000 -1.229) 3.815 7.380 ( -3.631 0.000 0.028) 3.631 7.409 ( -2.727 0.000 0.899) 2.871 7.731 ( 3.017 0.000 0.095) 3.018 7.739 ( 3.553 0.000 -0.087) 3.554 7.874 ( -3.551 0.000 -0.767) 3.633 7.895 ( -4.069 0.000 0.753) 4.138 8.462 ( -0.888 0.000 0.576) 1.058 8.475 ( -0.319 0.000 -0.667) 0.739 8.534 ( 0.453 0.000 0.013) 0.454 8.536 ( 0.300 0.000 -0.124) 0.324 8.744 ( -0.258 0.000 0.558) 0.615 8.759 ( 0.246 0.000 -0.540) 0.593 8.772 ( -0.984 0.000 0.250) 1.016 8.796 ( -0.495 0.000 -0.549) 0.740 8.808 ( -0.302 0.000 0.944) 0.991 8.861 ( 0.119 0.000 -0.563) 0.576 8.915 ( 2.405 0.000 -0.496) 2.455 8.921 ( 1.527 0.000 0.494) 1.605 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -17.868 0.000 6.024) 18.856 0.689 ( -7.070 0.000 13.182) 14.958 0.835 ( -20.765 0.000 11.902) 23.934 0.936 ( -10.901 0.000 -8.195) 13.638 1.088 ( 2.457 0.000 -10.151) 10.444 1.117 ( -9.422 0.000 -10.282) 13.946 1.416 ( -1.466 0.000 6.856) 7.011 1.456 ( 0.812 0.000 0.082) 0.816 1.522 ( 2.676 0.000 -1.805) 3.228 1.538 ( -3.323 0.000 1.034) 3.480 1.691 ( -3.229 0.000 2.591) 4.140 1.834 ( -1.755 0.000 -5.868) 6.125 2.266 ( 0.279 0.000 4.605) 4.613 2.281 ( 6.269 0.000 -4.291) 7.596 2.355 ( -3.621 0.000 4.876) 6.073 2.433 ( -0.040 0.000 -3.393) 3.393 3.379 ( 0.972 0.000 2.475) 2.659 3.444 ( 1.602 0.000 -2.370) 2.861 3.450 ( -1.502 0.000 0.951) 1.778 3.519 ( 1.466 0.000 -4.604) 4.832 3.902 ( -1.214 0.000 3.411) 3.621 3.977 ( 0.182 0.000 3.949) 3.953 4.009 ( 0.366 0.000 -1.644) 1.684 4.048 ( 4.486 0.000 1.220) 4.649 4.094 ( 4.996 0.000 -2.702) 5.679 4.099 ( 2.213 0.000 -3.165) 3.862 4.268 ( -0.814 0.000 0.614) 1.019 4.299 ( -0.139 0.000 -0.317) 0.346 4.355 ( -0.633 0.000 1.683) 1.798 4.396 ( 0.706 0.000 -0.219) 0.740 4.439 ( -3.758 0.000 1.375) 4.002 4.446 ( -3.564 0.000 0.057) 3.564 4.549 ( -3.507 0.000 7.915) 8.657 4.606 ( 1.568 0.000 -1.869) 2.440 4.641 ( 0.068 0.000 0.579) 0.583 4.657 ( -1.269 0.000 1.038) 1.640 4.713 ( -1.728 0.000 2.180) 2.782 4.843 ( 1.198 0.000 -3.348) 3.556 4.869 ( -0.445 0.000 0.167) 0.475 4.907 ( 2.572 0.000 -8.910) 9.274 4.977 ( 1.350 0.000 0.893) 1.619 5.014 ( 1.495 0.000 -0.429) 1.555 5.164 ( 0.245 0.000 1.036) 1.064 5.196 ( 1.286 0.000 0.483) 1.374 5.200 ( -0.014 0.000 -0.040) 0.042 5.249 ( -0.333 0.000 -0.080) 0.342 5.347 ( 5.049 0.000 -3.734) 6.280 5.394 ( 1.136 0.000 0.252) 1.163 5.414 ( -1.330 0.000 0.748) 1.526 5.474 ( -3.309 0.000 1.585) 3.669 5.633 ( -0.517 0.000 0.727) 0.892 5.664 ( -1.745 0.000 -0.484) 1.811 5.799 ( 1.537 0.000 -1.930) 2.467 5.834 ( 0.161 0.000 0.037) 0.166 5.858 ( -4.339 0.000 1.808) 4.701 5.864 ( 0.512 0.000 -0.500) 0.716 6.092 ( -2.469 0.000 7.291) 7.698 6.159 ( 3.500 0.000 -0.900) 3.614 6.231 ( 3.283 0.000 1.119) 3.469 6.303 ( 2.997 0.000 -5.592) 6.345 6.357 ( 5.940 0.000 -1.099) 6.041 6.383 ( 5.420 0.000 1.068) 5.525 6.487 ( -1.799 0.000 0.338) 1.830 6.494 ( -2.021 0.000 -0.282) 2.040 6.569 ( -0.206 0.000 0.881) 0.905 6.594 ( 0.049 0.000 -0.647) 0.649 6.741 ( 0.886 0.000 1.066) 1.386 6.759 ( 2.082 0.000 -1.243) 2.425 6.828 ( -2.227 0.000 -0.893) 2.400 6.856 ( -3.232 0.000 1.292) 3.480 6.923 ( -0.466 0.000 0.803) 0.928 6.938 ( -0.065 0.000 -0.250) 0.259 7.068 ( -0.500 0.000 0.536) 0.733 7.085 ( -0.227 0.000 -0.493) 0.543 7.209 ( -1.789 0.000 0.283) 1.811 7.225 ( -2.359 0.000 -0.286) 2.377 7.310 ( -0.924 0.000 -1.355) 1.640 7.318 ( -2.002 0.000 0.916) 2.201 7.362 ( 2.799 0.000 -1.131) 3.019 7.395 ( 0.014 0.000 1.307) 1.307 7.775 ( -0.070 0.000 0.610) 0.614 7.794 ( 2.012 0.000 -0.371) 2.046 7.800 ( -1.439 0.000 -1.359) 1.979 7.809 ( -5.148 0.000 1.248) 5.297 8.452 ( -0.660 0.000 0.663) 0.935 8.465 ( -0.026 0.000 -0.821) 0.821 8.535 ( -0.310 0.000 0.117) 0.332 8.539 ( 0.101 0.000 -0.114) 0.153 8.748 ( 0.018 0.000 0.733) 0.733 8.754 ( -0.767 0.000 0.143) 0.780 8.759 ( 0.033 0.000 -0.502) 0.503 8.781 ( -0.425 0.000 -0.567) 0.708 8.817 ( 0.122 0.000 1.337) 1.343 8.860 ( 0.404 0.000 -1.025) 1.101 8.948 ( 0.853 0.000 0.452) 0.965 8.950 ( 1.516 0.000 -0.372) 1.561 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.681 -0.249 9.734) 9.761 0.567 ( -4.230 -2.553 -7.318) 8.830 0.570 ( -1.070 0.692 11.424) 11.494 0.838 ( 5.133 -6.869 -14.142) 16.539 1.009 ( -3.215 10.267 10.977) 15.370 1.165 ( -0.563 5.612 -4.239) 7.055 1.394 ( 1.589 -4.051 0.908) 4.445 1.425 ( -0.654 -3.305 -2.290) 4.074 1.501 ( -1.370 -1.595 -0.023) 2.103 1.525 ( 3.536 -2.432 -2.436) 4.935 1.723 ( -1.799 4.871 6.282) 8.150 1.833 ( 1.194 3.060 -4.493) 5.566 2.174 ( -2.396 -4.610 3.063) 6.031 2.256 ( 2.983 -5.452 -4.785) 7.843 2.418 ( -1.800 3.867 3.298) 5.392 2.464 ( 1.053 1.940 -1.400) 2.614 3.408 ( 0.323 -0.290 1.607) 1.664 3.418 ( -1.256 -0.068 1.510) 1.965 3.509 ( -0.460 4.867 1.236) 5.042 3.581 ( 1.348 5.326 -4.932) 7.383 3.827 ( -0.869 -5.589 4.665) 7.332 3.915 ( 1.052 -5.406 -4.211) 6.933 4.027 ( -1.215 1.115 2.046) 2.628 4.071 ( 1.549 -1.205 -2.526) 3.198 4.161 ( -1.985 2.964 2.955) 4.632 4.206 ( 0.706 2.506 -1.686) 3.102 4.248 ( 0.157 -1.988 0.939) 2.204 4.271 ( 0.154 -0.891 -1.358) 1.631 4.371 ( 0.556 0.254 1.382) 1.511 4.384 ( -0.032 -0.158 0.337) 0.374 4.395 ( -0.432 -0.449 -0.111) 0.633 4.396 ( -0.398 -0.634 -0.637) 0.983 4.557 ( -1.848 0.748 4.728) 5.132 4.620 ( 1.232 -0.857 -1.465) 2.097 4.643 ( -0.114 0.532 1.128) 1.253 4.655 ( -0.259 0.691 -0.259) 0.782 4.704 ( -0.853 -0.355 1.251) 1.555 4.772 ( 1.765 -4.189 -4.691) 6.532 4.890 ( 0.200 2.004 0.587) 2.098 4.925 ( 1.347 1.932 -3.840) 4.504 4.982 ( 0.092 -1.712 1.065) 2.019 5.004 ( 0.138 -1.450 -1.248) 1.918 5.187 ( -0.225 0.673 0.992) 1.219 5.201 ( 0.134 0.688 -0.364) 0.789 5.225 ( 0.011 0.023 0.872) 0.872 5.232 ( -0.065 0.075 0.101) 0.141 5.359 ( -2.629 0.164 1.493) 3.028 5.383 ( 1.371 -1.213 -1.071) 2.121 5.455 ( -2.889 3.581 3.093) 5.545 5.531 ( 4.107 4.359 -4.013) 7.210 5.635 ( 0.269 -0.133 0.481) 0.567 5.650 ( 0.461 1.106 -1.418) 1.857 5.725 ( -4.081 -5.320 4.759) 8.223 5.799 ( 2.900 -2.730 -2.646) 4.782 5.844 ( 0.256 -0.112 0.184) 0.334 5.852 ( -0.249 -0.512 -0.772) 0.959 6.117 ( -1.615 1.325 3.721) 4.268 6.175 ( 0.945 -1.173 -2.001) 2.505 6.261 ( -0.496 0.163 0.612) 0.804 6.286 ( 1.165 -1.324 -2.234) 2.846 6.448 ( -0.975 1.275 1.095) 1.943 6.463 ( 0.196 0.224 -0.445) 0.536 6.483 ( -1.637 1.383 0.779) 2.280 6.501 ( 2.036 2.194 -0.828) 3.105 6.565 ( -0.765 -0.258 1.049) 1.324 6.580 ( 0.367 -0.629 -0.539) 0.906 6.760 ( -0.431 0.435 0.824) 1.027 6.777 ( 0.498 -0.182 -0.814) 0.971 6.798 ( -1.741 -0.076 0.672) 1.868 6.812 ( 1.934 -0.575 -0.618) 2.110 6.921 ( -0.194 -0.068 0.520) 0.559 6.931 ( 0.096 -0.318 -0.466) 0.572 7.066 ( 0.038 0.047 0.348) 0.353 7.076 ( 0.186 -0.203 -0.774) 0.821 7.195 ( -0.147 0.197 0.159) 0.293 7.197 ( 0.115 0.194 -0.009) 0.225 7.291 ( -0.919 0.023 0.471) 1.033 7.302 ( 0.818 -0.343 -0.735) 1.152 7.401 ( -1.631 0.633 0.837) 1.939 7.418 ( 1.775 -0.043 -0.926) 2.002 7.738 ( -1.248 0.073 0.841) 1.507 7.750 ( 0.890 -0.316 -0.376) 1.017 7.809 ( 0.324 -0.136 -0.063) 0.357 7.811 ( -0.161 -0.144 -0.171) 0.275 8.450 ( -0.292 0.225 0.497) 0.618 8.460 ( 0.245 -0.154 -0.542) 0.614 8.534 ( 0.070 -0.017 0.167) 0.182 8.537 ( 0.012 -0.108 -0.138) 0.175 8.751 ( -0.189 0.229 0.460) 0.547 8.756 ( 0.237 0.108 0.306) 0.401 8.760 ( 0.147 0.297 -0.197) 0.385 8.771 ( -0.046 -0.103 -0.739) 0.748 8.830 ( -0.104 0.130 1.101) 1.113 8.850 ( 0.039 -0.523 -0.897) 1.039 8.957 ( -0.210 0.003 0.245) 0.323 8.962 ( 0.235 -0.180 -0.267) 0.399 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 3.898 -4.137 13.426) 14.580 0.663 ( 14.294 -1.842 -5.975) 15.602 0.878 ( 14.525 0.096 -6.673) 15.985 0.922 ( 18.862 -0.296 -0.845) 18.883 1.035 ( -1.877 7.654 9.339) 12.220 1.129 ( 3.063 1.689 -2.771) 4.462 1.379 ( -0.096 -3.401 -0.100) 3.404 1.472 ( 3.212 -2.964 -0.423) 4.391 1.482 ( 1.630 -0.566 -2.744) 3.242 1.600 ( 4.805 -0.678 -2.348) 5.391 1.761 ( 0.946 3.305 5.988) 6.905 1.832 ( 2.532 3.442 -4.659) 6.322 2.129 ( -5.235 -3.542 3.288) 7.125 2.256 ( 0.852 -5.967 -4.705) 7.646 2.415 ( -1.102 3.647 3.249) 5.007 2.475 ( 1.241 1.463 -1.549) 2.466 3.401 ( -1.189 0.593 0.775) 1.538 3.426 ( -0.534 -0.600 2.126) 2.272 3.501 ( -0.930 5.338 0.747) 5.469 3.576 ( 1.659 5.233 -3.751) 6.649 3.837 ( -1.678 -6.069 3.671) 7.289 3.909 ( 1.793 -5.557 -4.084) 7.125 3.991 ( -3.495 0.718 1.448) 3.851 4.036 ( -2.569 -1.290 -1.731) 3.355 4.113 ( -4.664 3.349 3.276) 6.611 4.168 ( -2.288 2.453 -1.099) 3.530 4.262 ( 0.849 -2.004 0.537) 2.242 4.278 ( 1.408 -0.841 -1.066) 1.957 4.363 ( -1.731 -0.119 0.229) 1.750 4.380 ( -0.506 -0.411 0.253) 0.699 4.442 ( 4.469 -0.314 0.272) 4.488 4.444 ( 3.492 -0.064 0.282) 3.504 4.555 ( -1.704 0.975 3.255) 3.801 4.622 ( 0.549 -1.070 -1.676) 2.063 4.652 ( 0.410 1.116 0.593) 1.329 4.661 ( 0.679 0.028 0.342) 0.761 4.699 ( -0.920 -0.826 1.927) 2.290 4.773 ( 2.140 -3.886 -4.189) 6.101 4.897 ( 0.118 1.929 0.344) 1.963 4.917 ( 1.089 1.955 -3.786) 4.398 4.977 ( -1.058 -1.453 0.104) 1.800 4.989 ( -0.751 -1.235 -0.679) 1.597 5.177 ( -1.048 0.768 0.523) 1.400 5.198 ( -1.112 1.083 0.523) 1.638 5.212 ( -1.286 0.687 0.762) 1.645 5.246 ( 0.145 0.148 0.374) 0.427 5.327 ( -0.749 1.409 0.804) 1.787 5.387 ( 0.038 -1.229 -0.754) 1.443 5.438 ( -1.399 2.173 1.585) 3.032 5.604 ( 5.527 3.051 -3.293) 7.120 5.647 ( 0.493 0.471 -1.526) 1.671 5.651 ( 1.294 0.065 0.393) 1.354 5.685 ( -3.994 -4.315 4.242) 7.250 5.831 ( 0.953 -0.994 -0.627) 1.513 5.841 ( 0.686 -1.270 -1.013) 1.763 5.860 ( 1.897 -1.464 -0.621) 2.476 6.103 ( -2.752 1.210 3.093) 4.313 6.150 ( -2.296 -0.928 -1.449) 2.869 6.236 ( -2.896 0.452 1.349) 3.227 6.277 ( -0.306 -1.602 -2.644) 3.107 6.374 ( -6.391 2.621 1.599) 7.090 6.431 ( -5.316 1.245 -0.496) 5.482 6.490 ( 2.004 0.044 0.101) 2.007 6.494 ( 1.427 0.045 -0.091) 1.430 6.574 ( 0.329 -0.116 0.610) 0.703 6.582 ( -0.018 -0.227 -0.423) 0.480 6.741 ( -1.874 0.448 0.802) 2.087 6.759 ( -1.247 -0.241 -0.731) 1.466 6.820 ( 2.526 0.879 0.358) 2.699 6.867 ( 2.879 -0.784 -0.547) 3.034 6.925 ( 0.230 -0.241 0.386) 0.511 6.931 ( 0.247 -0.288 -0.340) 0.509 7.076 ( 0.495 -0.017 0.290) 0.574 7.080 ( 0.633 -0.087 -0.707) 0.953 7.218 ( 2.088 0.281 -0.064) 2.108 7.220 ( 1.558 0.302 0.205) 1.601 7.291 ( 1.016 0.517 0.706) 1.341 7.324 ( 1.957 -0.675 -0.510) 2.132 7.360 ( -1.495 0.854 0.285) 1.745 7.409 ( -1.019 -0.829 -0.497) 1.405 7.780 ( 2.742 0.570 0.697) 2.886 7.783 ( -0.515 0.091 0.555) 0.763 7.786 ( -1.214 -0.106 -0.420) 1.289 7.821 ( 3.776 -0.808 -0.656) 3.917 8.452 ( 0.091 0.220 0.539) 0.589 8.463 ( 0.476 -0.193 -0.462) 0.691 8.536 ( 0.047 -0.038 -0.014) 0.062 8.537 ( 0.060 -0.034 -0.042) 0.081 8.752 ( -0.239 0.257 0.468) 0.585 8.762 ( -0.091 -0.085 -0.448) 0.465 8.766 ( 0.861 0.296 -0.416) 1.001 8.773 ( 0.953 0.157 0.088) 0.970 8.833 ( -0.418 -0.177 1.005) 1.103 8.839 ( -0.326 -0.297 -0.830) 0.940 8.943 ( -1.416 0.078 0.217) 1.434 8.953 ( -0.933 -0.277 -0.278) 1.012 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 7.153 -2.383 10.685) 13.077 0.854 ( 9.124 -2.996 -6.699) 11.709 0.939 ( 4.027 2.747 -3.032) 5.741 1.041 ( 1.120 3.515 4.570) 5.873 1.279 ( 8.836 -1.101 -2.471) 9.240 1.365 ( 12.593 -2.879 3.097) 13.284 1.429 ( 6.317 -2.275 0.940) 6.779 1.490 ( 2.631 4.470 -3.221) 6.105 1.556 ( 5.846 -2.665 0.561) 6.449 1.654 ( 3.606 0.578 -3.254) 4.891 1.852 ( 4.442 4.485 -5.441) 8.334 1.875 ( 6.560 1.672 4.449) 8.101 2.041 ( -6.328 -2.494 5.153) 8.533 2.207 ( -1.663 -6.160 -5.077) 8.154 2.421 ( -1.481 2.641 3.061) 4.306 2.474 ( -0.416 0.896 -1.948) 2.184 3.384 ( -1.398 1.136 0.982) 2.052 3.410 ( -2.965 0.081 2.147) 3.662 3.505 ( 1.433 4.901 -0.617) 5.143 3.575 ( 1.010 5.329 -2.534) 5.987 3.829 ( -1.137 -6.377 2.188) 6.837 3.910 ( 1.232 -6.309 -3.185) 7.174 3.941 ( -2.215 0.477 1.239) 2.582 3.975 ( -2.354 -0.797 -1.048) 2.697 4.072 ( -1.588 3.262 2.497) 4.405 4.128 ( -1.223 2.227 -0.292) 2.557 4.274 ( -1.418 0.334 0.134) 1.463 4.294 ( 0.699 -0.781 0.105) 1.053 4.347 ( 0.801 -1.737 0.765) 2.060 4.366 ( -0.336 -1.782 -0.437) 1.865 4.501 ( 1.721 1.292 1.407) 2.571 4.531 ( 4.315 -0.148 -0.348) 4.332 4.558 ( 0.678 0.734 1.283) 1.626 4.617 ( 0.493 -1.406 -2.193) 2.651 4.665 ( 0.657 0.924 -0.269) 1.165 4.680 ( 0.884 -0.039 0.295) 0.933 4.706 ( -0.485 -1.136 3.509) 3.720 4.785 ( 2.261 -3.734 -3.358) 5.508 4.897 ( -0.444 1.352 -0.172) 1.433 4.910 ( 1.522 1.421 -3.540) 4.107 4.952 ( -1.149 -0.784 -0.802) 1.605 4.964 ( -1.535 -1.022 -0.260) 1.862 5.150 ( -4.857 4.173 4.323) 7.726 5.168 ( -1.089 0.981 0.391) 1.517 5.193 ( -0.643 0.087 -0.781) 1.016 5.243 ( -0.436 0.287 -0.422) 0.671 5.339 ( 1.346 0.560 -0.745) 1.637 5.380 ( 0.067 -0.422 -0.744) 0.858 5.419 ( -1.582 1.279 0.705) 2.153 5.591 ( -5.350 -1.221 1.159) 5.609 5.648 ( 0.590 -0.789 -0.580) 1.143 5.661 ( -0.214 -1.107 0.187) 1.143 5.724 ( 4.201 0.815 -0.480) 4.306 5.826 ( -0.602 0.408 0.246) 0.768 5.843 ( -0.086 -0.725 -0.211) 0.760 5.919 ( 3.631 -4.073 -2.189) 5.879 6.059 ( -3.213 0.602 0.528) 3.311 6.069 ( -3.415 -0.361 0.006) 3.434 6.179 ( -4.656 2.158 4.530) 6.845 6.236 ( -1.145 -0.518 -1.906) 2.283 6.299 ( -2.636 1.111 0.816) 2.974 6.343 ( -1.816 0.985 -1.565) 2.592 6.528 ( 0.556 -0.056 -0.103) 0.568 6.532 ( 1.145 -0.165 0.041) 1.157 6.550 ( -2.646 0.096 -0.266) 2.661 6.557 ( -2.395 -0.087 0.282) 2.413 6.720 ( -0.633 0.413 0.743) 1.059 6.738 ( -0.123 -0.244 -0.467) 0.541 6.869 ( 2.066 0.432 0.195) 2.120 6.897 ( 0.829 -0.288 0.023) 0.878 6.931 ( 0.260 -0.283 -0.250) 0.459 6.939 ( 0.763 -0.403 -0.192) 0.884 7.084 ( 0.224 0.011 -0.020) 0.225 7.085 ( 0.328 0.023 -0.414) 0.529 7.234 ( -0.207 0.856 0.833) 1.213 7.244 ( 0.574 0.405 -0.241) 0.743 7.351 ( 4.022 0.511 0.774) 4.127 7.376 ( 4.014 -0.388 -0.472) 4.061 7.385 ( 3.494 -0.073 -0.304) 3.508 7.414 ( 2.310 -0.846 -0.196) 2.468 7.733 ( -3.204 0.099 -0.013) 3.205 7.736 ( -3.402 0.011 0.132) 3.405 7.867 ( 3.930 0.450 0.234) 3.963 7.899 ( 3.761 -0.679 -0.348) 3.837 8.462 ( 0.504 0.156 0.522) 0.742 8.471 ( 0.687 -0.161 -0.367) 0.795 8.534 ( -0.383 0.004 0.043) 0.386 8.535 ( -0.371 0.003 0.039) 0.373 8.750 ( -0.175 0.127 0.389) 0.445 8.756 ( 0.025 -0.081 -0.454) 0.462 8.784 ( 0.961 0.390 -0.181) 1.053 8.794 ( 1.032 0.519 0.058) 1.157 8.824 ( -0.288 -0.264 -0.734) 0.832 8.839 ( 0.138 -0.505 0.768) 0.929 8.909 ( -2.250 0.180 0.187) 2.265 8.925 ( -1.698 -0.389 -0.290) 1.766 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -0.070 1.472 2.148) 2.605 0.977 ( 6.625 -2.505 3.517) 7.908 1.046 ( 5.734 -1.011 -0.711) 5.866 1.164 ( 9.743 -1.776 -3.420) 10.478 1.356 ( 0.396 -0.804 2.018) 2.208 1.421 ( -1.888 2.460 3.591) 4.745 1.523 ( 0.523 1.014 1.791) 2.124 1.563 ( 5.920 -1.195 -3.964) 7.224 1.626 ( 1.263 3.495 -3.322) 4.984 1.722 ( 2.269 -2.231 -0.863) 3.297 1.877 ( 0.396 -0.302 -1.411) 1.497 2.038 ( 5.988 3.031 4.120) 7.876 2.087 ( 5.352 -0.816 2.749) 6.072 2.129 ( 0.801 -5.312 -5.839) 7.934 2.397 ( -3.401 1.531 2.604) 4.549 2.420 ( -3.153 1.017 -2.032) 3.887 3.355 ( -3.392 1.285 2.921) 4.657 3.370 ( -1.390 -0.063 -0.139) 1.398 3.531 ( 1.695 5.029 -1.062) 5.412 3.578 ( 0.955 4.562 -1.897) 5.032 3.842 ( 0.323 -4.132 2.173) 4.680 3.896 ( -0.676 -2.839 -1.024) 3.093 3.940 ( 1.992 -3.284 -1.681) 4.193 3.947 ( -0.456 -1.191 0.617) 1.417 4.085 ( 1.351 1.496 0.340) 2.044 4.114 ( -0.468 1.064 0.477) 1.256 4.221 ( -3.579 2.823 1.024) 4.672 4.276 ( -2.024 1.439 -0.689) 2.577 4.382 ( 0.027 -4.610 4.935) 6.753 4.421 ( 6.866 -3.340 -3.260) 8.303 4.552 ( 3.213 1.704 1.455) 3.917 4.580 ( 2.055 -0.365 -1.075) 2.347 4.612 ( 1.026 -0.120 -1.310) 1.668 4.619 ( 3.910 0.281 0.110) 3.921 4.664 ( -0.396 0.798 -0.790) 1.191 4.691 ( 0.279 -0.426 -0.446) 0.677 4.733 ( -0.078 -1.086 3.259) 3.436 4.796 ( 0.806 -3.240 -2.084) 3.935 4.861 ( -4.201 1.488 0.653) 4.505 4.906 ( -2.055 -0.342 -0.811) 2.235 4.924 ( -0.894 0.265 -1.808) 2.034 4.925 ( 0.375 -0.359 -2.472) 2.526 5.089 ( -4.505 5.615 5.409) 9.005 5.162 ( -0.219 0.535 0.358) 0.680 5.174 ( -0.142 0.783 -1.622) 1.807 5.223 ( -0.963 0.231 -0.853) 1.308 5.354 ( 1.005 -0.177 -1.036) 1.455 5.381 ( 0.824 0.314 -1.089) 1.401 5.395 ( -0.874 0.519 -0.231) 1.043 5.463 ( -8.129 -0.998 1.846) 8.395 5.662 ( 0.870 -0.302 -0.162) 0.935 5.667 ( 0.850 -2.242 0.260) 2.412 5.741 ( -1.509 0.051 0.065) 1.511 5.819 ( -0.293 0.349 0.475) 0.658 5.843 ( -0.008 -0.419 -0.432) 0.602 5.857 ( -5.651 -3.171 -1.683) 6.695 6.090 ( 4.387 0.087 0.031) 4.388 6.105 ( 6.779 -0.717 -0.651) 6.848 6.154 ( -1.905 3.026 5.367) 6.449 6.215 ( 0.179 -0.203 -0.997) 1.033 6.271 ( -1.264 1.062 0.878) 1.870 6.321 ( 0.609 0.090 -2.549) 2.622 6.433 ( -7.387 0.070 -0.052) 7.387 6.438 ( -7.177 0.087 -0.183) 7.180 6.559 ( 0.308 0.060 0.100) 0.330 6.561 ( 0.607 0.007 -0.092) 0.614 6.731 ( 0.985 0.403 0.548) 1.197 6.748 ( 1.203 -0.150 -0.417) 1.282 6.893 ( 0.204 -0.344 0.418) 0.579 6.912 ( 0.650 -0.454 -0.233) 0.826 6.938 ( 0.553 0.127 0.362) 0.673 6.955 ( 1.091 -0.404 -0.613) 1.315 7.086 ( 0.121 0.059 -0.133) 0.189 7.087 ( 0.230 0.048 -0.243) 0.338 7.237 ( -0.114 0.639 0.745) 0.988 7.247 ( 0.005 0.268 -0.035) 0.270 7.429 ( 2.952 0.387 0.678) 3.053 7.445 ( 3.170 -0.254 -0.593) 3.235 7.468 ( 4.941 -0.038 -0.075) 4.942 7.483 ( 4.504 -0.409 -0.241) 4.529 7.664 ( -4.091 0.096 0.042) 4.093 7.665 ( -3.945 0.058 0.015) 3.946 7.926 ( 2.016 0.246 0.199) 2.041 7.947 ( 1.571 -0.519 -0.317) 1.685 8.479 ( 0.864 0.098 0.419) 0.965 8.484 ( 0.932 -0.078 -0.236) 0.964 8.521 ( -1.025 0.054 0.175) 1.041 8.524 ( -0.698 -0.051 -0.091) 0.706 8.754 ( 0.262 0.028 0.293) 0.394 8.757 ( 0.411 -0.103 -0.266) 0.500 8.793 ( 0.158 0.486 0.316) 0.601 8.810 ( 0.678 0.833 -0.444) 1.162 8.819 ( 0.339 -0.385 -0.552) 0.753 8.845 ( -0.936 -0.394 0.708) 1.238 8.871 ( -0.998 0.057 -0.033) 1.001 8.890 ( -1.445 -0.524 -0.209) 1.551 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -2.549 1.166 6.308) 6.903 1.041 ( 0.991 -4.418 -7.999) 9.191 1.114 ( -1.968 -1.168 7.077) 7.438 1.259 ( 3.879 -6.215 -7.544) 10.516 1.356 ( -2.154 4.693 7.050) 8.739 1.457 ( 2.651 3.542 -1.123) 4.564 1.517 ( -2.688 3.063 5.370) 6.741 1.598 ( -0.220 2.802 -2.091) 3.503 1.643 ( 3.935 -2.335 -2.660) 5.293 1.675 ( -2.613 3.163 -5.564) 6.913 1.908 ( 1.109 -6.709 6.055) 9.105 2.026 ( -2.314 -6.488 -5.473) 8.798 2.179 ( 4.245 3.248 1.256) 5.491 2.202 ( -0.391 2.193 -1.277) 2.567 2.341 ( -3.859 1.367 2.426) 4.759 2.377 ( 1.978 0.119 -1.178) 2.305 3.323 ( -2.089 1.331 3.070) 3.945 3.361 ( 0.722 -0.574 -0.321) 0.976 3.553 ( 1.316 4.781 -0.680) 5.005 3.570 ( -0.005 4.198 -2.195) 4.737 3.856 ( -1.141 -2.942 2.369) 3.945 3.884 ( 0.351 -1.916 -0.690) 2.066 3.935 ( -1.798 -1.062 1.172) 2.394 3.977 ( 3.020 -4.242 -2.827) 5.925 4.101 ( -1.789 0.188 0.498) 1.867 4.110 ( 0.731 -0.172 -0.359) 0.832 4.194 ( 0.177 3.521 2.676) 4.426 4.243 ( 0.538 3.047 -2.268) 3.836 4.400 ( -3.105 -4.003 5.605) 7.555 4.509 ( 3.669 -4.388 -4.389) 7.210 4.601 ( -0.236 -0.823 -0.153) 0.870 4.610 ( 0.129 -0.464 -0.476) 0.677 4.629 ( 0.502 0.470 0.032) 0.689 4.636 ( -1.041 0.342 -0.624) 1.261 4.698 ( -0.022 0.157 0.747) 0.764 4.716 ( 1.968 -0.239 -1.084) 2.260 4.729 ( -6.989 -0.282 0.108) 6.996 4.731 ( 3.564 0.016 -0.048) 3.565 4.805 ( -0.007 1.211 4.166) 4.339 4.857 ( -0.568 -1.105 -0.395) 1.304 4.900 ( -0.626 0.699 -0.595) 1.110 4.925 ( 1.609 -0.971 -3.819) 4.257 5.085 ( -0.405 3.839 4.177) 5.687 5.158 ( 1.436 2.065 -2.624) 3.635 5.177 ( 0.511 0.660 0.720) 1.102 5.198 ( -0.605 0.664 -1.234) 1.526 5.355 ( -2.144 0.149 1.173) 2.448 5.367 ( -1.290 -0.473 0.609) 1.503 5.388 ( 1.300 0.762 -1.703) 2.274 5.405 ( 3.088 0.353 -1.753) 3.568 5.675 ( 0.249 -0.954 0.532) 1.120 5.682 ( -0.586 -1.342 0.014) 1.465 5.730 ( 1.176 -2.484 1.664) 3.213 5.764 ( -1.907 -2.686 -1.554) 3.642 5.823 ( 0.068 0.529 0.727) 0.902 5.836 ( -0.159 0.027 -0.597) 0.618 6.125 ( -2.078 1.519 3.862) 4.641 6.174 ( -0.020 -0.968 -1.510) 1.794 6.232 ( -0.423 1.581 1.841) 2.463 6.261 ( 2.118 -0.064 0.117) 2.123 6.269 ( 3.939 0.293 -0.273) 3.959 6.281 ( -3.588 0.061 -1.099) 3.753 6.312 ( -1.077 0.451 0.347) 1.218 6.335 ( 1.027 0.610 -2.231) 2.531 6.561 ( -0.069 0.132 0.209) 0.256 6.565 ( 0.043 0.014 -0.179) 0.185 6.748 ( -0.006 0.378 0.507) 0.632 6.759 ( 0.042 0.030 -0.525) 0.527 6.896 ( -0.234 -0.543 0.896) 1.073 6.913 ( 0.031 -0.887 -0.699) 1.130 6.949 ( -0.116 0.191 0.644) 0.682 6.963 ( 0.146 -0.281 -0.680) 0.750 7.086 ( -0.091 0.053 0.015) 0.106 7.089 ( 0.072 0.033 -0.227) 0.241 7.241 ( -0.040 0.408 0.516) 0.659 7.247 ( 0.159 0.168 -0.141) 0.271 7.462 ( -0.178 0.323 0.647) 0.745 7.474 ( 0.146 -0.126 -0.561) 0.594 7.543 ( 0.134 0.116 0.249) 0.306 7.550 ( -0.349 -0.059 -0.370) 0.512 7.600 ( -0.097 0.037 0.063) 0.121 7.601 ( 0.268 -0.003 -0.083) 0.280 7.949 ( 0.274 -0.044 0.296) 0.406 7.956 ( -0.286 -0.273 -0.361) 0.536 8.498 ( -0.276 0.028 0.105) 0.296 8.499 ( 0.344 -0.032 -0.049) 0.349 8.503 ( 0.016 0.133 0.418) 0.439 8.510 ( -0.095 -0.132 -0.296) 0.338 8.759 ( -0.147 0.021 0.209) 0.256 8.763 ( 0.158 -0.127 -0.164) 0.261 8.800 ( 0.085 0.741 0.432) 0.862 8.811 ( 0.029 0.349 -0.580) 0.677 8.816 ( -1.485 0.128 0.694) 1.644 8.831 ( 1.581 -0.162 -0.768) 1.765 8.870 ( -0.251 -0.489 0.194) 0.583 8.874 ( 0.054 -0.430 -0.137) 0.455 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -7.890 -0.179 6.141) 10.000 0.932 ( -5.316 -1.337 0.134) 5.484 1.087 ( -4.518 -2.355 2.359) 5.615 1.181 ( -4.964 -4.667 -7.062) 9.813 1.394 ( 1.779 3.976 1.982) 4.786 1.447 ( -2.989 1.975 -1.526) 3.894 1.514 ( -3.499 1.378 2.621) 4.584 1.567 ( -2.198 4.509 -0.039) 5.016 1.583 ( -1.072 1.895 -3.429) 4.062 1.691 ( 1.246 -1.594 0.009) 2.023 1.905 ( -8.470 -3.615 -2.768) 9.616 1.996 ( 1.357 -7.053 7.196) 10.167 2.120 ( -3.741 1.830 -4.035) 5.799 2.157 ( -2.363 0.472 -3.977) 4.650 2.363 ( 2.348 3.059 3.866) 5.460 2.434 ( 3.435 -0.212 -1.249) 3.662 3.329 ( -0.126 1.598 3.188) 3.569 3.388 ( 1.895 -1.051 0.133) 2.171 3.538 ( -1.064 3.672 -1.459) 4.092 3.578 ( 1.823 5.448 -1.919) 6.057 3.825 ( -4.073 -5.099 2.940) 7.158 3.898 ( 1.676 -2.575 -0.984) 3.226 3.923 ( 0.604 0.671 0.100) 0.908 3.985 ( -0.077 -4.389 -2.357) 4.982 4.063 ( -1.635 3.272 1.615) 3.999 4.129 ( 1.291 0.275 -0.478) 1.404 4.240 ( 2.605 1.759 -0.052) 3.144 4.271 ( 3.409 2.091 -0.843) 4.087 4.350 ( -5.283 -3.139 3.468) 7.056 4.479 ( -3.458 -4.170 -3.978) 6.721 4.530 ( -4.704 1.866 3.578) 6.198 4.573 ( -1.888 -0.479 -0.912) 2.151 4.596 ( -2.466 0.507 0.197) 2.525 4.627 ( -2.410 -0.357 -0.427) 2.474 4.651 ( 0.179 0.896 0.492) 1.038 4.674 ( -0.603 0.741 1.092) 1.451 4.748 ( -1.076 -1.508 1.795) 2.580 4.808 ( 2.891 -4.511 -3.774) 6.554 4.867 ( 1.564 0.357 0.165) 1.613 4.885 ( 2.027 0.874 0.562) 2.278 4.900 ( 2.551 -0.037 0.519) 2.604 4.926 ( 1.099 -0.736 -1.766) 2.206 5.121 ( 0.916 1.919 2.782) 3.502 5.171 ( 0.216 -0.051 -0.635) 0.673 5.194 ( 1.761 2.458 -1.885) 3.563 5.202 ( 2.350 1.801 -0.283) 2.974 5.337 ( -0.277 1.248 0.538) 1.387 5.367 ( 0.079 -0.026 0.347) 0.357 5.414 ( 3.145 2.125 -2.500) 4.545 5.478 ( 4.595 1.171 -0.002) 4.742 5.658 ( -1.354 -0.998 0.231) 1.698 5.675 ( 0.140 -1.440 -0.365) 1.492 5.763 ( 2.644 -2.835 -2.144) 4.430 5.803 ( 3.109 -4.763 3.659) 6.763 5.828 ( -0.052 0.207 -0.106) 0.238 5.834 ( 0.276 0.070 0.276) 0.396 6.083 ( -4.596 0.060 1.232) 4.759 6.093 ( -4.949 -0.309 0.036) 4.959 6.180 ( -2.739 3.004 2.668) 4.862 6.221 ( 1.258 0.044 -1.305) 1.813 6.281 ( 0.255 1.160 1.118) 1.631 6.316 ( 2.079 0.697 -3.637) 4.247 6.432 ( 7.172 0.058 0.141) 7.174 6.436 ( 7.543 -0.126 0.029) 7.544 6.559 ( -0.432 0.101 0.110) 0.457 6.561 ( -0.515 0.058 -0.060) 0.521 6.737 ( -1.274 0.288 0.494) 1.396 6.743 ( -0.798 0.081 -0.540) 0.967 6.897 ( -0.659 -0.680 0.957) 1.346 6.904 ( -0.614 -0.887 -0.476) 1.179 6.943 ( -0.827 0.071 0.528) 0.984 6.950 ( -0.724 -0.032 -0.685) 0.997 7.082 ( -0.369 0.095 0.139) 0.405 7.087 ( -0.001 -0.073 -0.150) 0.167 7.243 ( -0.068 0.362 0.312) 0.483 7.250 ( 0.379 0.128 -0.492) 0.634 7.432 ( -3.354 0.269 0.721) 3.441 7.442 ( -2.893 -0.081 -0.618) 2.960 7.469 ( -4.968 0.176 -0.189) 4.974 7.477 ( -4.542 0.020 0.301) 4.552 7.664 ( 4.045 0.005 0.020) 4.045 7.666 ( 3.992 0.005 -0.068) 3.992 7.932 ( -1.930 -0.016 -0.399) 1.971 7.940 ( -1.672 -0.301 0.409) 1.747 8.479 ( -1.092 0.137 0.286) 1.137 8.487 ( -0.727 -0.158 -0.332) 0.814 8.521 ( 0.823 0.023 0.189) 0.845 8.524 ( 0.913 -0.074 -0.096) 0.921 8.752 ( -0.604 0.138 0.272) 0.677 8.759 ( -0.158 -0.151 -0.265) 0.343 8.793 ( -0.597 0.774 0.399) 1.056 8.807 ( -0.062 0.205 -0.093) 0.233 8.813 ( -0.190 0.255 -0.072) 0.326 8.854 ( 0.102 -0.915 -0.179) 0.938 8.874 ( 1.825 0.096 -0.329) 1.857 8.886 ( 1.239 -0.324 0.192) 1.295 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -13.020 -0.022 7.557) 15.054 0.864 ( -6.033 3.371 4.773) 8.399 0.981 ( -4.159 -6.360 -9.296) 12.007 1.077 ( -0.506 -3.097 0.223) 3.146 1.266 ( -14.863 4.222 0.126) 15.452 1.403 ( -10.736 -2.883 -0.312) 11.121 1.438 ( 0.323 2.153 -0.263) 2.193 1.479 ( -3.568 3.167 -2.674) 5.470 1.585 ( -1.056 0.007 1.033) 1.477 1.611 ( -9.178 -0.525 -2.330) 9.484 1.739 ( -4.301 2.763 4.817) 7.024 1.951 ( -5.559 -0.638 -1.772) 5.869 2.116 ( 2.875 -4.290 2.790) 5.870 2.160 ( 5.398 -2.575 -6.057) 8.512 2.419 ( -0.195 2.971 3.725) 4.768 2.467 ( 1.101 0.546 -1.622) 2.035 3.359 ( 0.379 1.544 2.887) 3.296 3.418 ( 0.409 -0.762 1.327) 1.584 3.511 ( -0.569 3.689 -1.101) 3.892 3.595 ( 2.370 5.717 -3.844) 7.285 3.789 ( -2.088 -6.218 4.097) 7.734 3.929 ( 2.756 -5.044 -2.713) 6.356 3.953 ( 1.419 -0.713 0.950) 1.851 3.970 ( 1.659 -0.691 -1.587) 2.398 4.071 ( 0.975 4.142 1.566) 4.535 4.150 ( 1.873 1.686 -1.475) 2.920 4.278 ( -2.912 -1.081 1.271) 3.356 4.285 ( 2.013 0.893 -0.916) 2.385 4.340 ( 2.271 -1.033 0.867) 2.641 4.383 ( -2.926 -1.484 -1.112) 3.464 4.499 ( -2.915 1.186 3.257) 4.529 4.520 ( -3.362 0.013 -0.569) 3.410 4.564 ( -2.272 0.080 2.194) 3.160 4.590 ( 0.255 -0.811 -1.609) 1.820 4.654 ( -0.758 1.065 0.553) 1.419 4.672 ( -0.562 0.488 1.287) 1.487 4.729 ( -1.935 -0.999 1.477) 2.631 4.801 ( 1.055 -5.167 -5.000) 7.267 4.880 ( -0.105 1.155 0.401) 1.227 4.911 ( 2.111 0.553 -2.378) 3.228 4.937 ( 0.978 -0.808 0.375) 1.323 4.964 ( 2.337 -1.037 0.045) 2.558 5.156 ( 0.573 0.723 1.962) 2.168 5.172 ( 0.551 0.075 -0.110) 0.567 5.211 ( 0.478 1.269 0.311) 1.391 5.241 ( 1.540 0.599 -0.613) 1.763 5.341 ( 0.878 1.844 -1.024) 2.285 5.373 ( 0.276 -0.140 0.106) 0.327 5.459 ( 3.676 4.602 -3.387) 6.794 5.535 ( -0.528 2.874 3.353) 4.448 5.640 ( -0.826 -0.459 0.616) 1.128 5.687 ( 0.813 -0.680 -0.713) 1.277 5.766 ( -0.221 -4.061 -4.029) 5.725 5.823 ( -2.054 -2.786 2.352) 4.185 5.834 ( 0.311 -0.600 0.115) 0.685 5.862 ( -0.980 -3.197 2.411) 4.122 6.055 ( 2.024 0.258 0.446) 2.089 6.074 ( 3.405 -0.333 -0.187) 3.427 6.188 ( 0.740 2.923 3.054) 4.292 6.248 ( 2.649 -0.946 -2.200) 3.571 6.312 ( 2.517 1.818 1.337) 3.380 6.337 ( 3.249 1.638 -2.781) 4.580 6.524 ( -0.965 0.071 0.208) 0.989 6.532 ( 0.116 -0.132 0.069) 0.189 6.545 ( 1.351 0.284 0.164) 1.390 6.562 ( 2.815 -0.382 -0.206) 2.848 6.726 ( 0.001 0.298 0.557) 0.632 6.736 ( 0.775 -0.012 -0.703) 1.047 6.875 ( -1.829 -0.460 -0.439) 1.937 6.884 ( -1.700 -0.655 1.123) 2.140 6.931 ( -0.577 0.155 0.111) 0.608 6.938 ( -0.067 -0.147 -0.302) 0.342 7.075 ( -0.485 0.182 0.332) 0.615 7.087 ( 0.131 -0.199 -0.256) 0.350 7.240 ( -0.733 0.460 0.259) 0.904 7.251 ( 0.124 0.074 -0.848) 0.861 7.362 ( -4.035 0.042 0.861) 4.126 7.366 ( -3.874 -0.117 -0.677) 3.934 7.385 ( -3.133 0.502 -0.311) 3.188 7.407 ( -2.692 -0.216 0.523) 2.751 7.732 ( 3.090 0.102 0.062) 3.092 7.738 ( 3.461 -0.089 -0.056) 3.463 7.875 ( -3.638 0.120 -0.510) 3.675 7.890 ( -4.007 -0.412 0.565) 4.068 8.463 ( -0.801 0.148 0.382) 0.900 8.472 ( -0.405 -0.190 -0.488) 0.662 8.534 ( 0.408 -0.015 0.038) 0.410 8.535 ( 0.298 -0.068 -0.047) 0.309 8.747 ( -0.207 0.201 0.444) 0.530 8.757 ( 0.128 -0.174 -0.296) 0.367 8.782 ( -0.930 0.782 -0.081) 1.218 8.799 ( -0.820 0.191 -0.359) 0.915 8.809 ( 0.014 0.180 0.760) 0.781 8.850 ( 0.090 -0.954 -0.349) 1.020 8.915 ( 2.306 0.002 -0.385) 2.337 8.919 ( 1.687 -0.143 0.288) 1.717 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -12.832 0.259 8.393) 15.335 0.691 ( -17.676 4.335 6.656) 19.379 0.836 ( -4.245 -8.096 -12.456) 15.451 0.983 ( -14.941 -5.373 -3.382) 16.234 1.017 ( -8.739 8.552 8.469) 14.874 1.177 ( 0.693 2.264 -4.503) 5.087 1.382 ( -2.204 -0.414 -0.294) 2.262 1.457 ( 0.221 -0.678 -0.486) 0.862 1.503 ( -0.974 -1.251 -3.430) 3.779 1.560 ( -3.245 -1.324 1.718) 3.903 1.721 ( -2.964 4.369 5.850) 7.880 1.865 ( -1.122 1.708 -4.058) 4.543 2.173 ( 0.070 -5.036 3.277) 6.009 2.220 ( 5.112 -4.409 -5.436) 8.667 2.424 ( -1.752 3.513 3.512) 5.267 2.462 ( 0.306 1.579 -1.475) 2.182 3.385 ( 0.397 0.753 1.979) 2.154 3.427 ( -1.002 -0.635 2.253) 2.546 3.503 ( 0.415 4.444 -0.494) 4.490 3.597 ( 1.404 5.392 -4.732) 7.310 3.802 ( -0.722 -5.992 4.726) 7.666 3.932 ( 0.846 -6.168 -3.855) 7.322 4.000 ( 2.018 0.593 1.752) 2.738 4.025 ( 4.326 -1.030 -1.859) 4.820 4.125 ( 2.556 3.984 2.253) 5.242 4.179 ( 2.693 2.808 -2.116) 4.429 4.245 ( -1.228 -1.504 1.073) 2.219 4.290 ( -0.494 -0.995 -1.328) 1.732 4.357 ( 0.191 0.197 0.796) 0.842 4.376 ( 0.494 -0.876 0.708) 1.230 4.443 ( -3.609 -0.111 -0.006) 3.611 4.450 ( -3.905 0.188 -0.070) 3.910 4.552 ( -1.826 0.521 4.687) 5.057 4.601 ( 1.630 -0.847 -1.212) 2.201 4.642 ( -0.873 0.621 1.076) 1.518 4.667 ( -0.572 0.725 0.017) 0.924 4.711 ( -1.045 -0.336 1.297) 1.699 4.781 ( 1.339 -4.749 -5.071) 7.076 4.882 ( 0.048 1.606 0.523) 1.690 4.925 ( 1.789 1.299 -3.327) 3.995 4.962 ( 0.972 -1.338 0.902) 1.883 4.997 ( 1.476 -1.450 -0.775) 2.209 5.174 ( 0.349 0.737 1.005) 1.294 5.192 ( 1.070 -0.067 0.414) 1.149 5.215 ( -0.316 0.955 0.595) 1.169 5.246 ( -0.776 -0.342 0.445) 0.958 5.357 ( 2.014 0.570 -1.690) 2.690 5.376 ( -0.199 -0.652 0.352) 0.767 5.487 ( 0.317 5.404 -0.328) 5.424 5.520 ( -1.798 4.134 0.519) 4.538 5.634 ( -0.470 -0.025 0.575) 0.743 5.662 ( -1.344 0.016 -0.696) 1.514 5.761 ( 0.804 -4.072 -1.054) 4.283 5.777 ( -2.722 -5.149 2.019) 6.164 5.839 ( 0.292 0.174 -0.164) 0.377 5.860 ( 0.015 -0.651 -0.348) 0.738 6.102 ( 0.351 0.696 3.122) 3.218 6.147 ( 3.527 -1.204 -1.469) 4.006 6.240 ( 1.913 0.667 1.153) 2.331 6.274 ( 1.960 -1.183 -2.326) 3.264 6.404 ( 5.334 2.460 0.353) 5.885 6.413 ( 5.617 2.266 -0.364) 6.068 6.488 ( -1.784 0.113 0.216) 1.801 6.495 ( -1.767 0.082 -0.126) 1.774 6.569 ( -0.266 0.062 0.674) 0.728 6.587 ( -0.133 -0.614 -0.415) 0.753 6.744 ( 1.044 0.327 0.681) 1.289 6.758 ( 1.861 -0.112 -0.850) 2.049 6.829 ( -2.289 0.142 -0.512) 2.349 6.849 ( -3.107 -0.578 1.180) 3.373 6.924 ( -0.409 0.074 0.346) 0.541 6.935 ( -0.016 -0.289 -0.430) 0.518 7.069 ( -0.515 0.174 0.400) 0.675 7.085 ( -0.142 -0.223 -0.612) 0.667 7.214 ( -1.868 0.416 0.212) 1.926 7.225 ( -2.289 -0.014 -0.196) 2.298 7.308 ( -1.142 -0.140 -0.913) 1.469 7.313 ( -1.805 -0.355 0.576) 1.927 7.370 ( 2.301 0.755 -0.753) 2.536 7.395 ( 0.526 -0.090 0.852) 1.006 7.777 ( -0.025 0.210 0.444) 0.491 7.790 ( 1.364 -0.280 -0.360) 1.439 7.800 ( -1.495 -0.041 -0.903) 1.747 7.805 ( -4.650 -0.295 0.931) 4.752 8.454 ( -0.541 0.171 0.449) 0.723 8.463 ( -0.090 -0.174 -0.581) 0.613 8.535 ( -0.249 0.029 0.097) 0.269 8.538 ( 0.031 -0.088 -0.056) 0.109 8.750 ( -0.034 0.144 0.645) 0.662 8.756 ( -0.298 0.012 0.089) 0.311 8.765 ( -0.401 0.534 -0.387) 0.771 8.781 ( -0.576 -0.055 -0.487) 0.756 8.820 ( 0.234 0.293 1.004) 1.072 8.852 ( 0.411 -0.760 -0.724) 1.128 8.948 ( 0.961 -0.056 0.276) 1.002 8.948 ( 1.431 -0.086 -0.298) 1.464 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -1.790 -6.224 -2.968) 7.124 0.464 ( -1.790 6.224 -2.968) 7.124 0.669 ( 2.826 -6.961 -0.975) 7.576 0.669 ( 2.826 6.961 -0.975) 7.576 1.208 ( -1.637 -5.263 5.054) 7.478 1.208 ( -1.637 5.263 5.054) 7.478 1.348 ( -0.742 -2.336 -3.663) 4.407 1.348 ( -0.742 2.336 -3.663) 4.407 1.481 ( 2.150 -0.949 -1.563) 2.823 1.481 ( 2.150 0.949 -1.563) 2.823 1.830 ( -1.540 -3.804 3.517) 5.405 1.830 ( -1.540 3.804 3.517) 5.405 2.153 ( 1.483 -3.049 -3.462) 4.846 2.153 ( 1.483 3.049 -3.462) 4.846 2.474 ( -0.448 -1.139 1.122) 1.660 2.474 ( -0.448 1.139 1.122) 1.660 3.414 ( -0.688 -0.501 2.161) 2.323 3.414 ( -0.688 0.501 2.161) 2.323 3.620 ( -0.543 -3.964 1.317) 4.213 3.620 ( -0.543 3.964 1.317) 4.213 3.792 ( 1.149 -4.488 -2.589) 5.307 3.792 ( 1.149 4.488 -2.589) 5.307 4.050 ( 0.146 -1.024 -0.202) 1.054 4.050 ( 0.146 1.024 -0.202) 1.054 4.205 ( -1.818 -1.658 2.313) 3.377 4.205 ( -1.818 1.658 2.313) 3.377 4.250 ( 1.167 -1.283 -2.243) 2.835 4.250 ( 1.167 1.283 -2.243) 2.835 4.380 ( 0.661 -0.491 0.333) 0.888 4.380 ( 0.661 0.491 0.333) 0.888 4.387 ( -0.690 -0.203 -0.265) 0.766 4.387 ( -0.690 0.203 -0.265) 0.766 4.585 ( 0.329 -1.793 0.093) 1.826 4.585 ( 0.329 1.793 0.093) 1.826 4.664 ( 0.071 -0.746 -0.098) 0.756 4.664 ( 0.071 0.746 -0.098) 0.756 4.704 ( 0.085 -1.461 -0.576) 1.573 4.704 ( 0.085 1.461 -0.576) 1.573 4.937 ( 0.191 -2.224 0.879) 2.399 4.937 ( 0.191 2.224 0.879) 2.399 4.967 ( 0.597 -1.864 -1.984) 2.787 4.967 ( 0.597 1.864 -1.984) 2.787 5.202 ( -0.036 -0.518 0.444) 0.683 5.202 ( -0.036 0.518 0.444) 0.683 5.229 ( 0.040 -0.296 0.419) 0.515 5.229 ( 0.040 0.296 0.419) 0.515 5.365 ( -0.258 -0.500 0.080) 0.568 5.365 ( -0.258 0.500 0.080) 0.568 5.552 ( -3.360 -3.972 3.191) 6.103 5.552 ( -3.360 3.972 3.191) 6.103 5.635 ( -0.250 -1.032 2.008) 2.271 5.635 ( -0.250 1.032 2.008) 2.271 5.715 ( 3.324 -4.432 -4.729) 7.284 5.715 ( 3.324 4.432 -4.729) 7.284 5.845 ( -0.076 -0.175 -0.131) 0.232 5.845 ( -0.076 0.175 -0.131) 0.232 6.145 ( 0.346 -1.378 -0.370) 1.468 6.145 ( 0.346 1.378 -0.370) 1.468 6.268 ( -0.063 -0.538 -0.085) 0.549 6.268 ( -0.063 0.538 -0.085) 0.549 6.462 ( -0.055 -0.231 0.119) 0.265 6.462 ( -0.055 0.231 0.119) 0.265 6.521 ( -1.224 -1.086 1.312) 2.097 6.521 ( -1.224 1.086 1.312) 2.097 6.564 ( 0.361 -0.643 -0.084) 0.743 6.564 ( 0.361 0.643 -0.084) 0.743 6.770 ( 0.091 -0.429 0.091) 0.448 6.770 ( 0.091 0.429 0.091) 0.448 6.801 ( 0.200 -0.376 -0.156) 0.453 6.801 ( 0.200 0.376 -0.156) 0.453 6.924 ( 0.022 -0.295 -0.234) 0.377 6.924 ( 0.022 0.295 -0.234) 0.377 7.070 ( 0.123 -0.324 -0.265) 0.437 7.070 ( 0.123 0.324 -0.265) 0.437 7.198 ( 0.016 -0.067 -0.002) 0.069 7.198 ( 0.016 0.067 -0.002) 0.069 7.294 ( 0.015 -0.318 -0.093) 0.332 7.294 ( 0.015 0.318 -0.093) 0.332 7.414 ( -0.103 -0.454 0.083) 0.473 7.414 ( -0.103 0.454 0.083) 0.473 7.743 ( 0.021 -0.339 0.032) 0.341 7.743 ( 0.021 0.339 0.032) 0.341 7.808 ( -0.009 -0.048 -0.022) 0.053 7.808 ( -0.009 0.048 -0.022) 0.053 8.456 ( -0.024 -0.268 -0.009) 0.269 8.456 ( -0.024 0.268 -0.009) 0.269 8.535 ( 0.016 -0.083 0.025) 0.088 8.535 ( 0.016 0.083 0.025) 0.088 8.756 ( 0.002 -0.178 0.545) 0.573 8.756 ( 0.002 0.178 0.545) 0.573 8.767 ( 0.045 -0.275 -0.568) 0.632 8.767 ( 0.045 0.275 -0.568) 0.632 8.837 ( -0.016 -0.542 0.058) 0.545 8.837 ( -0.016 0.542 0.058) 0.545 8.959 ( 0.017 -0.135 -0.050) 0.145 8.959 ( 0.017 0.135 -0.050) 0.145 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 9.493 -4.411 0.514) 10.480 0.578 ( 9.493 4.411 0.514) 10.480 0.897 ( 19.767 -1.485 -3.779) 20.179 0.897 ( 19.767 1.485 -3.779) 20.179 1.151 ( -4.520 -1.183 3.375) 5.764 1.151 ( -4.520 1.183 3.375) 5.764 1.364 ( 2.875 -3.918 0.478) 4.883 1.364 ( 2.875 3.918 0.478) 4.883 1.546 ( 5.266 -3.779 -2.822) 7.069 1.546 ( 5.266 3.779 -2.822) 7.069 1.840 ( -0.245 -3.000 3.801) 4.848 1.840 ( -0.245 3.000 3.801) 4.848 2.134 ( -0.582 -4.345 -3.735) 5.759 2.134 ( -0.582 4.345 -3.735) 5.759 2.474 ( -0.358 -1.569 1.012) 1.901 2.474 ( -0.358 1.569 1.012) 1.901 3.417 ( -0.805 -0.621 1.978) 2.224 3.417 ( -0.805 0.621 1.978) 2.224 3.618 ( -0.576 -3.925 1.200) 4.145 3.618 ( -0.576 3.925 1.200) 4.145 3.788 ( 0.658 -3.964 -2.897) 4.954 3.788 ( 0.658 3.964 -2.897) 4.954 4.012 ( -3.059 -1.093 -0.201) 3.255 4.012 ( -3.059 1.093 -0.201) 3.255 4.168 ( -3.760 -2.044 2.739) 5.082 4.168 ( -3.760 2.044 2.739) 5.082 4.254 ( 1.544 -1.212 -1.815) 2.673 4.254 ( 1.544 1.212 -1.815) 2.673 4.369 ( -1.239 -0.493 0.071) 1.336 4.369 ( -1.239 0.493 0.071) 1.336 4.440 ( 4.279 -0.150 0.109) 4.283 4.440 ( 4.279 0.150 0.109) 4.283 4.587 ( 0.043 -1.886 -0.516) 1.956 4.587 ( 0.043 1.886 -0.516) 1.956 4.667 ( 0.317 -0.483 -0.077) 0.583 4.667 ( 0.317 0.483 -0.077) 0.583 4.705 ( 0.507 -2.205 -0.299) 2.282 4.705 ( 0.507 2.205 -0.299) 2.282 4.940 ( -0.542 -1.941 0.527) 2.083 4.940 ( -0.542 1.941 0.527) 2.083 4.955 ( 0.097 -1.739 -2.144) 2.762 4.955 ( 0.097 1.739 -2.144) 2.762 5.194 ( -0.680 -0.698 -0.029) 0.975 5.194 ( -0.680 0.698 -0.029) 0.975 5.239 ( 0.074 -0.920 0.558) 1.078 5.239 ( 0.074 0.920 0.558) 1.078 5.360 ( -0.223 -1.381 0.349) 1.442 5.360 ( -0.223 1.381 0.349) 1.442 5.526 ( -3.630 -5.783 4.955) 8.437 5.526 ( -3.630 5.783 4.955) 8.437 5.652 ( 0.735 -0.193 0.518) 0.920 5.652 ( 0.735 0.193 0.518) 0.920 5.742 ( 4.267 -5.519 -5.163) 8.679 5.742 ( 4.267 5.519 -5.163) 8.679 5.843 ( -0.074 -0.469 0.107) 0.486 5.843 ( -0.074 0.469 0.107) 0.486 6.127 ( -1.942 -1.087 -0.705) 2.334 6.127 ( -1.942 1.087 -0.705) 2.334 6.251 ( -1.661 -0.915 0.183) 1.905 6.251 ( -1.661 0.915 0.183) 1.905 6.427 ( -6.468 -1.714 1.581) 6.875 6.427 ( -6.468 1.714 1.581) 6.875 6.491 ( 1.555 -0.186 0.112) 1.570 6.491 ( 1.555 0.186 0.112) 1.570 6.576 ( 0.314 -0.299 -0.082) 0.442 6.576 ( 0.314 0.299 -0.082) 0.442 6.751 ( -1.607 -0.465 0.053) 1.674 6.751 ( -1.607 0.465 0.053) 1.674 6.844 ( 2.991 -1.248 -0.282) 3.253 6.844 ( 2.991 1.248 -0.282) 3.253 6.925 ( 0.219 -0.207 -0.093) 0.315 6.925 ( 0.219 0.207 -0.093) 0.315 7.077 ( 0.633 -0.154 -0.241) 0.694 7.077 ( 0.633 0.154 -0.241) 0.694 7.223 ( 2.105 -0.091 -0.025) 2.107 7.223 ( 2.105 0.091 -0.025) 2.107 7.306 ( 1.577 -0.848 -0.023) 1.791 7.306 ( 1.577 0.848 -0.023) 1.791 7.385 ( -1.708 -1.306 0.190) 2.158 7.385 ( -1.708 1.306 0.190) 2.158 7.784 ( -0.765 -0.091 -0.014) 0.770 7.784 ( -0.765 0.091 -0.014) 0.770 7.800 ( 3.279 -1.054 -0.001) 3.444 7.800 ( 3.279 1.054 -0.001) 3.444 8.458 ( 0.262 -0.294 0.032) 0.395 8.458 ( 0.262 0.294 0.032) 0.395 8.536 ( 0.081 -0.028 -0.000) 0.085 8.536 ( 0.081 0.028 -0.000) 0.085 8.758 ( -0.245 -0.266 0.096) 0.374 8.758 ( -0.245 0.266 0.096) 0.374 8.773 ( 1.047 -0.246 -0.194) 1.093 8.773 ( 1.047 0.246 -0.194) 1.093 8.833 ( -0.432 -0.185 0.055) 0.473 8.833 ( -0.432 0.185 0.055) 0.473 8.947 ( -1.171 -0.259 -0.048) 1.201 8.947 ( -1.171 0.259 -0.048) 1.201 ======================= Grid point 105 (58/63) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.779 ( 10.558 -2.855 0.242) 10.940 0.779 ( 10.558 2.855 0.242) 10.940 1.024 ( 0.450 -4.175 -1.978) 4.642 1.024 ( 0.450 4.175 -1.978) 4.642 1.295 ( 9.839 -2.623 0.833) 10.216 1.295 ( 9.839 2.623 0.833) 10.216 1.465 ( 6.466 -4.766 4.114) 9.024 1.465 ( 6.466 4.766 4.114) 9.024 1.605 ( 3.579 -4.550 -3.882) 6.970 1.605 ( 3.579 4.550 -3.882) 6.970 1.907 ( 5.074 -0.987 3.495) 6.240 1.907 ( 5.074 0.987 3.495) 6.240 2.068 ( -2.828 -5.708 -4.175) 7.616 2.068 ( -2.828 5.708 -4.175) 7.616 2.469 ( -1.410 -1.442 0.716) 2.140 2.469 ( -1.410 1.442 0.716) 2.140 3.408 ( -2.139 -0.654 2.138) 3.094 3.408 ( -2.139 0.654 2.138) 3.094 3.621 ( 0.380 -4.181 0.249) 4.205 3.621 ( 0.380 4.181 0.249) 4.205 3.776 ( 0.900 -4.457 -2.334) 5.111 3.776 ( 0.900 4.457 -2.334) 5.111 3.958 ( -2.284 -0.872 0.109) 2.447 3.958 ( -2.284 0.872 0.109) 2.447 4.127 ( -2.296 -1.937 1.962) 3.588 4.127 ( -2.296 1.937 1.962) 3.588 4.281 ( 2.377 -0.768 -0.930) 2.665 4.281 ( 2.377 0.768 -0.930) 2.665 4.335 ( -2.148 -0.654 -0.047) 2.245 4.335 ( -2.148 0.654 -0.047) 2.245 4.522 ( 3.939 -0.667 -0.075) 3.996 4.522 ( 3.939 0.667 -0.075) 3.996 4.583 ( 0.441 -1.564 -0.728) 1.780 4.583 ( 0.441 1.564 -0.728) 1.780 4.677 ( 0.554 -0.381 0.128) 0.684 4.677 ( 0.554 0.381 0.128) 0.684 4.718 ( 1.058 -2.296 -0.301) 2.546 4.718 ( 1.058 2.296 -0.301) 2.546 4.928 ( -1.019 -1.167 0.127) 1.555 4.928 ( -1.019 1.167 0.127) 1.555 4.938 ( -0.082 -1.116 -1.997) 2.289 4.938 ( -0.082 1.116 -1.997) 2.289 5.181 ( -0.514 -0.609 -0.326) 0.861 5.181 ( -0.514 0.609 -0.326) 0.861 5.233 ( -1.585 -1.726 1.380) 2.719 5.233 ( -1.585 1.726 1.380) 2.719 5.366 ( 0.523 -1.275 0.009) 1.378 5.366 ( 0.523 1.275 0.009) 1.378 5.479 ( -5.420 -5.228 4.913) 8.992 5.479 ( -5.420 5.228 4.913) 8.992 5.657 ( 0.223 -0.253 -1.168) 1.215 5.657 ( 0.223 0.253 -1.168) 1.215 5.796 ( 3.909 -4.615 -3.587) 7.032 5.796 ( 3.909 4.615 -3.587) 7.032 5.842 ( -0.152 -1.411 -0.478) 1.498 5.842 ( -0.152 1.411 -0.478) 1.498 6.065 ( -2.786 -0.117 -0.111) 2.791 6.065 ( -2.786 0.117 -0.111) 2.791 6.218 ( -1.763 -1.296 0.614) 2.273 6.218 ( -1.763 1.296 0.614) 2.273 6.336 ( -3.575 -1.567 1.303) 4.115 6.336 ( -3.575 1.567 1.303) 4.115 6.528 ( 0.638 -0.123 -0.030) 0.651 6.528 ( 0.638 0.123 -0.030) 0.651 6.554 ( -2.198 -0.222 -0.026) 2.210 6.554 ( -2.198 0.222 -0.026) 2.210 6.730 ( -0.399 -0.466 0.207) 0.647 6.730 ( -0.399 0.466 0.207) 0.647 6.884 ( 1.536 -0.848 -0.569) 1.845 6.884 ( 1.536 0.848 -0.569) 1.845 6.930 ( 0.439 -0.274 0.037) 0.518 6.930 ( 0.439 0.274 0.037) 0.518 7.084 ( 0.319 -0.045 -0.204) 0.381 7.084 ( 0.319 0.045 -0.204) 0.381 7.248 ( 0.299 -0.246 0.063) 0.392 7.248 ( 0.299 0.246 0.063) 0.392 7.363 ( 4.112 -0.641 0.029) 4.161 7.363 ( 4.112 0.641 0.029) 4.161 7.394 ( 2.685 -0.862 0.211) 2.828 7.394 ( 2.685 0.862 0.211) 2.828 7.735 ( -3.250 -0.075 -0.004) 3.250 7.735 ( -3.250 0.075 -0.004) 3.250 7.882 ( 3.842 -0.830 -0.061) 3.931 7.882 ( 3.842 0.830 -0.061) 3.931 8.466 ( 0.609 -0.232 0.051) 0.654 8.466 ( 0.609 0.232 0.051) 0.654 8.534 ( -0.364 -0.029 0.033) 0.367 8.534 ( -0.364 0.029 0.033) 0.367 8.753 ( -0.130 -0.151 0.004) 0.200 8.753 ( -0.130 0.151 0.004) 0.200 8.795 ( 1.137 -0.483 -0.110) 1.240 8.795 ( 1.137 0.483 -0.110) 1.240 8.826 ( -0.160 -0.527 0.064) 0.554 8.826 ( -0.160 0.527 0.064) 0.554 8.915 ( -1.979 -0.414 -0.058) 2.022 8.915 ( -1.979 0.414 -0.058) 2.022 ======================= Grid point 107 (59/63) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 4.826 -2.275 -2.022) 5.705 0.927 ( 4.826 2.275 -2.022) 5.705 1.075 ( 5.230 -4.167 -0.026) 6.687 1.075 ( 5.230 4.167 -0.026) 6.687 1.398 ( 1.883 -4.005 3.254) 5.493 1.398 ( 1.883 4.005 3.254) 5.493 1.594 ( 1.306 -7.652 4.897) 9.178 1.594 ( 1.306 7.652 4.897) 9.178 1.628 ( 2.726 -2.735 -3.895) 5.485 1.628 ( 2.726 2.735 -3.895) 5.485 1.969 ( -2.728 -6.976 -6.059) 9.635 1.969 ( -2.728 6.976 -6.059) 9.635 2.087 ( 9.107 -1.229 2.700) 9.578 2.087 ( 9.107 1.229 2.700) 9.578 2.424 ( -3.631 -0.692 0.538) 3.736 2.424 ( -3.631 0.692 0.538) 3.736 3.373 ( -2.916 -0.134 2.214) 3.664 3.373 ( -2.916 0.134 2.214) 3.664 3.631 ( 0.701 -2.526 -1.000) 2.806 3.631 ( 0.701 2.526 -1.000) 2.806 3.797 ( 2.136 -3.088 -0.605) 3.803 3.797 ( 2.136 3.088 -0.605) 3.803 3.932 ( -0.522 -0.639 0.203) 0.849 3.932 ( -0.522 0.639 0.203) 0.849 4.109 ( -0.924 -0.967 0.686) 1.503 4.109 ( -0.924 0.967 0.686) 1.503 4.284 ( -2.584 -2.480 1.349) 3.828 4.284 ( -2.584 2.480 1.349) 3.828 4.344 ( 4.384 -2.698 -2.027) 5.533 4.344 ( 4.384 2.698 -2.027) 5.533 4.574 ( 1.932 -0.558 -0.664) 2.117 4.574 ( 1.932 0.558 -0.664) 2.117 4.615 ( 3.137 -0.435 -0.060) 3.168 4.615 ( 3.137 0.435 -0.060) 3.168 4.681 ( -0.018 -0.618 -0.312) 0.692 4.681 ( -0.018 0.618 -0.312) 0.692 4.737 ( 0.810 -1.696 -0.029) 1.879 4.737 ( 0.810 1.696 -0.029) 1.879 4.891 ( -3.333 -1.197 0.170) 3.545 4.891 ( -3.333 1.197 0.170) 3.545 4.922 ( 0.011 -0.189 -1.680) 1.690 4.922 ( 0.011 0.189 -1.680) 1.690 5.171 ( -0.381 -0.295 -0.208) 0.525 5.171 ( -0.381 0.295 -0.208) 0.525 5.204 ( -2.591 -2.730 2.416) 4.473 5.204 ( -2.591 2.730 2.416) 4.473 5.374 ( 0.123 -1.579 -0.037) 1.585 5.374 ( 0.123 1.579 -0.037) 1.585 5.410 ( -4.025 -1.850 2.279) 4.981 5.410 ( -4.025 1.850 2.279) 4.981 5.654 ( 0.494 -0.528 -0.956) 1.199 5.654 ( 0.494 0.528 -0.956) 1.199 5.777 ( -3.015 -3.242 -2.350) 5.012 5.777 ( -3.015 3.242 -2.350) 5.012 5.832 ( -0.006 -0.554 0.063) 0.558 5.832 ( -0.006 0.554 0.063) 0.558 6.094 ( 5.370 -0.300 -0.450) 5.397 6.094 ( 5.370 0.300 -0.450) 5.397 6.201 ( -0.367 -1.227 0.941) 1.589 6.201 ( -0.367 1.227 0.941) 1.589 6.303 ( -1.228 -1.619 0.903) 2.224 6.303 ( -1.228 1.619 0.903) 2.224 6.437 ( -7.020 -0.192 -0.164) 7.025 6.437 ( -7.020 0.192 -0.164) 7.025 6.561 ( 0.476 -0.067 0.044) 0.482 6.561 ( 0.476 0.067 0.044) 0.482 6.741 ( 1.092 -0.442 0.197) 1.194 6.741 ( 1.092 0.442 0.197) 1.194 6.897 ( 0.373 -0.661 -0.551) 0.938 6.897 ( 0.373 0.661 -0.551) 0.938 6.944 ( 0.902 -0.459 -0.007) 1.012 6.944 ( 0.902 0.459 -0.007) 1.012 7.087 ( 0.165 -0.054 -0.137) 0.221 7.087 ( 0.165 0.054 -0.137) 0.221 7.248 ( -0.158 -0.254 0.182) 0.350 7.248 ( -0.158 0.254 0.182) 0.350 7.438 ( 3.069 -0.428 0.101) 3.100 7.438 ( 3.069 0.428 0.101) 3.100 7.472 ( 4.807 -0.463 0.094) 4.830 7.472 ( 4.807 0.463 0.094) 4.830 7.665 ( -3.986 -0.025 -0.042) 3.986 7.665 ( -3.986 0.025 -0.042) 3.986 7.935 ( 1.779 -0.564 -0.074) 1.868 7.935 ( 1.779 0.564 -0.074) 1.868 8.482 ( 0.922 -0.125 0.053) 0.932 8.482 ( 0.922 0.125 0.053) 0.932 8.523 ( -0.863 -0.082 0.026) 0.867 8.523 ( -0.863 0.082 0.026) 0.867 8.755 ( 0.279 -0.093 0.071) 0.302 8.755 ( 0.279 0.093 0.071) 0.302 8.807 ( 0.360 -0.678 -0.070) 0.770 8.807 ( 0.360 0.678 -0.070) 0.770 8.830 ( 0.132 -0.893 0.046) 0.904 8.830 ( 0.132 0.893 0.046) 0.904 8.878 ( -1.545 -0.536 -0.101) 1.638 8.878 ( -1.545 0.536 -0.101) 1.638 ======================= Grid point 109 (60/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.898 -3.579 -0.955) 3.812 0.951 ( -0.898 3.579 -0.955) 3.812 1.139 ( 0.800 -3.848 -0.751) 4.002 1.139 ( 0.800 3.848 -0.751) 4.002 1.454 ( 0.251 -3.964 4.974) 6.365 1.454 ( 0.251 3.964 4.974) 6.365 1.592 ( -0.521 -3.159 -4.664) 5.657 1.592 ( -0.521 3.159 -4.664) 5.657 1.678 ( 1.138 -5.433 5.174) 7.588 1.678 ( 1.138 5.433 5.174) 7.588 1.879 ( -1.168 -6.023 -5.495) 8.236 1.879 ( -1.168 6.023 -5.495) 8.236 2.222 ( 1.945 -0.536 -0.053) 2.019 2.222 ( 1.945 0.536 -0.053) 2.019 2.368 ( -1.103 -0.972 1.016) 1.787 2.368 ( -1.103 0.972 1.016) 1.787 3.349 ( -1.249 -0.848 2.401) 2.837 3.349 ( -1.249 0.848 2.401) 2.837 3.631 ( 0.271 -1.077 -1.068) 1.541 3.631 ( 0.271 1.077 -1.068) 1.541 3.819 ( -0.041 -2.078 0.157) 2.085 3.819 ( -0.041 2.078 0.157) 2.085 3.934 ( 0.226 -0.375 -0.081) 0.446 3.934 ( 0.226 0.375 -0.081) 0.446 4.103 ( 0.307 -0.327 -0.253) 0.515 4.103 ( 0.307 0.327 -0.253) 0.515 4.259 ( -0.969 -2.038 1.711) 2.832 4.259 ( -0.969 2.038 1.711) 2.832 4.396 ( 2.361 -4.253 -3.273) 5.863 4.396 ( 2.361 4.253 -3.273) 5.863 4.600 ( 0.137 -0.459 -0.108) 0.492 4.600 ( 0.137 0.459 -0.108) 0.492 4.639 ( -0.650 -0.241 -0.290) 0.751 4.639 ( -0.650 0.241 -0.290) 0.751 4.699 ( -0.497 -0.485 -0.011) 0.694 4.699 ( -0.497 0.485 -0.011) 0.694 4.731 ( 0.289 -0.060 0.016) 0.295 4.731 ( 0.289 0.060 0.016) 0.295 4.834 ( -0.821 -1.217 1.275) 1.944 4.834 ( -0.821 1.217 1.275) 1.944 4.912 ( 0.085 -0.445 -1.046) 1.140 4.912 ( 0.085 0.445 -1.046) 1.140 5.159 ( -1.002 -1.874 1.280) 2.481 5.159 ( -1.002 1.874 1.280) 2.481 5.197 ( 0.301 -1.215 0.969) 1.583 5.197 ( 0.301 1.215 0.969) 1.583 5.359 ( -1.141 -0.313 1.508) 1.917 5.359 ( -1.141 0.313 1.508) 1.917 5.405 ( 2.986 -0.492 -2.384) 3.853 5.405 ( 2.986 0.492 -2.384) 3.853 5.658 ( -0.253 -0.472 0.261) 0.596 5.658 ( -0.253 0.472 0.261) 0.596 5.716 ( -0.901 -1.001 -0.863) 1.600 5.716 ( -0.901 1.001 -0.863) 1.600 5.833 ( 0.022 -0.332 0.129) 0.357 5.833 ( 0.022 0.332 0.129) 0.357 6.152 ( -0.648 -1.088 -0.262) 1.293 6.152 ( -0.648 1.088 -0.262) 1.293 6.257 ( 0.949 -0.473 0.734) 1.290 6.257 ( 0.949 0.473 0.734) 1.290 6.278 ( 0.810 -0.410 -0.375) 0.983 6.278 ( 0.810 0.410 -0.375) 0.983 6.331 ( -0.981 -0.934 0.339) 1.396 6.331 ( -0.981 0.934 0.339) 1.396 6.564 ( -0.000 -0.101 0.034) 0.107 6.564 ( -0.000 0.101 0.034) 0.107 6.756 ( -0.001 -0.282 0.131) 0.311 6.756 ( -0.001 0.282 0.131) 0.311 6.895 ( -0.068 -0.513 -0.290) 0.593 6.895 ( -0.068 0.513 -0.290) 0.593 6.955 ( 0.068 -0.358 -0.094) 0.376 6.955 ( 0.068 0.358 -0.094) 0.376 7.088 ( -0.067 -0.093 -0.021) 0.116 7.088 ( -0.067 0.093 -0.021) 0.116 7.248 ( 0.014 -0.175 0.135) 0.222 7.248 ( 0.014 0.175 0.135) 0.222 7.469 ( -0.029 -0.315 0.102) 0.333 7.469 ( -0.029 0.315 0.102) 0.333 7.547 ( 0.069 -0.183 0.064) 0.206 7.547 ( 0.069 0.183 0.064) 0.206 7.601 ( -0.022 -0.044 -0.100) 0.111 7.601 ( -0.022 0.044 -0.100) 0.111 7.951 ( -0.013 -0.174 -0.040) 0.179 7.951 ( -0.013 0.174 -0.040) 0.179 8.498 ( 0.097 -0.042 0.025) 0.108 8.498 ( 0.097 0.042 0.025) 0.108 8.507 ( -0.106 -0.188 0.028) 0.218 8.507 ( -0.106 0.188 0.028) 0.218 8.760 ( 0.009 -0.092 0.071) 0.117 8.760 ( 0.009 0.092 0.071) 0.117 8.813 ( -0.237 -0.233 0.106) 0.349 8.813 ( -0.237 0.233 0.106) 0.349 8.824 ( 0.184 -0.524 -0.078) 0.561 8.824 ( 0.184 0.524 -0.078) 0.561 8.865 ( 0.061 -0.173 -0.136) 0.228 8.865 ( 0.061 0.173 -0.136) 0.228 ======================= Grid point 111 (61/63) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -4.789 -2.135 1.148) 5.368 0.892 ( -4.789 2.135 1.148) 5.368 1.086 ( -5.108 -2.817 -1.043) 5.926 1.086 ( -5.108 2.817 -1.043) 5.926 1.478 ( -1.153 -1.657 -1.041) 2.271 1.478 ( -1.153 1.657 -1.041) 2.271 1.527 ( -2.623 -3.421 0.860) 4.396 1.527 ( -2.623 3.421 0.860) 4.396 1.693 ( -2.480 -2.525 -1.783) 3.962 1.693 ( -2.480 2.525 -1.783) 3.962 1.860 ( -0.325 -2.912 3.248) 4.374 1.860 ( -0.325 2.912 3.248) 4.374 2.154 ( -4.287 -0.965 -3.820) 5.822 2.154 ( -4.287 0.965 -3.820) 5.822 2.416 ( 2.958 -1.686 1.403) 3.683 2.416 ( 2.958 1.686 1.403) 3.683 3.365 ( 0.411 -1.466 2.869) 3.248 3.365 ( 0.411 1.466 2.869) 3.248 3.624 ( -0.471 -2.990 -0.299) 3.042 3.624 ( -0.471 2.990 -0.299) 3.042 3.800 ( -1.243 -4.475 -0.827) 4.717 3.800 ( -1.243 4.475 -0.827) 4.717 3.937 ( 0.609 -0.775 -0.340) 1.043 3.937 ( 0.609 0.775 -0.340) 1.043 4.116 ( 1.061 -1.568 0.073) 1.894 4.116 ( 1.061 1.568 0.073) 1.894 4.274 ( 0.747 -1.486 1.524) 2.256 4.274 ( 0.747 1.486 1.524) 2.256 4.372 ( -1.053 -4.626 -4.111) 6.278 4.372 ( -1.053 4.626 -4.111) 6.278 4.558 ( -2.816 -0.905 0.906) 3.094 4.558 ( -2.816 0.905 0.906) 3.094 4.614 ( -2.756 -0.897 0.039) 2.899 4.614 ( -2.756 0.897 0.039) 2.899 4.673 ( 0.195 -0.910 0.425) 1.023 4.673 ( 0.195 0.910 0.425) 1.023 4.741 ( -0.649 -1.392 -0.396) 1.586 4.741 ( -0.649 1.392 -0.396) 1.586 4.883 ( 2.689 -0.744 1.002) 2.964 4.883 ( 2.689 0.744 1.002) 2.964 4.911 ( 0.603 -0.733 -0.468) 1.058 4.911 ( 0.603 0.733 -0.468) 1.058 5.159 ( -0.155 -1.219 1.129) 1.669 5.159 ( -0.155 1.219 1.129) 1.669 5.217 ( 0.892 -0.760 0.619) 1.326 5.217 ( 0.892 0.760 0.619) 1.326 5.362 ( 0.127 -0.598 0.686) 0.919 5.362 ( 0.127 0.598 0.686) 0.919 5.481 ( 7.104 -2.284 -3.414) 8.206 5.481 ( 7.104 2.284 -3.414) 8.206 5.639 ( -1.329 -0.517 0.255) 1.448 5.639 ( -1.329 0.517 0.255) 1.448 5.736 ( 1.494 -0.869 1.357) 2.197 5.736 ( 1.494 0.869 1.357) 2.197 5.833 ( -0.053 -0.166 -0.040) 0.178 5.833 ( -0.053 0.166 -0.040) 0.178 6.087 ( -4.389 -0.277 0.230) 4.404 6.087 ( -4.389 0.277 0.230) 4.404 6.216 ( -0.135 -0.691 -0.493) 0.860 6.216 ( -0.135 0.691 -0.493) 0.860 6.313 ( 0.893 -1.161 0.043) 1.466 6.313 ( 0.893 1.161 0.043) 1.466 6.433 ( 7.268 -0.122 0.167) 7.271 6.433 ( 7.268 0.122 0.167) 7.271 6.561 ( -0.478 -0.029 0.002) 0.478 6.561 ( -0.478 0.029 0.002) 0.478 6.743 ( -1.115 -0.169 0.039) 1.128 6.743 ( -1.115 0.169 0.039) 1.128 6.890 ( -0.520 -0.179 0.086) 0.556 6.890 ( -0.520 0.179 0.086) 0.556 6.946 ( -0.696 -0.219 -0.169) 0.749 6.946 ( -0.696 0.219 -0.169) 0.749 7.085 ( -0.260 -0.144 0.105) 0.315 7.085 ( -0.260 0.144 0.105) 0.315 7.250 ( 0.125 -0.186 -0.006) 0.224 7.250 ( 0.125 0.186 -0.006) 0.224 7.438 ( -3.183 -0.252 0.088) 3.194 7.438 ( -3.183 0.252 0.088) 3.194 7.475 ( -4.673 -0.270 -0.102) 4.682 7.475 ( -4.673 0.270 -0.102) 4.682 7.665 ( 4.022 -0.067 -0.004) 4.023 7.665 ( 4.022 0.067 -0.004) 4.023 7.934 ( -1.798 -0.217 0.018) 1.811 7.934 ( -1.798 0.217 0.018) 1.811 8.483 ( -0.913 -0.205 -0.037) 0.936 8.483 ( -0.913 0.205 -0.037) 0.936 8.522 ( 0.844 -0.067 0.064) 0.849 8.522 ( 0.844 0.067 0.064) 0.849 8.756 ( -0.368 -0.197 0.028) 0.418 8.756 ( -0.368 0.197 0.028) 0.418 8.806 ( -0.205 -0.303 0.011) 0.366 8.806 ( -0.205 0.303 0.011) 0.366 8.830 ( -0.300 -1.197 0.057) 1.236 8.830 ( -0.300 1.197 0.057) 1.236 8.878 ( 1.668 -0.347 -0.142) 1.710 8.878 ( 1.668 0.347 -0.142) 1.710 ======================= Grid point 113 (62/63) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( -7.134 -6.927 -0.421) 9.952 0.785 ( -7.134 6.927 -0.421) 9.952 0.989 ( -4.115 -4.486 1.523) 6.275 0.989 ( -4.115 4.486 1.523) 6.275 1.340 ( -10.486 -2.921 -3.389) 11.400 1.340 ( -10.486 2.921 -3.389) 11.400 1.520 ( -2.938 -4.335 2.090) 5.638 1.520 ( -2.938 4.335 2.090) 5.638 1.563 ( -5.925 -3.364 -3.190) 7.523 1.563 ( -5.925 3.364 -3.190) 7.523 1.859 ( -3.967 -6.797 6.371) 10.126 1.859 ( -3.967 6.797 6.371) 10.126 2.102 ( 3.364 -2.228 -5.740) 7.017 2.102 ( 3.364 2.228 -5.740) 7.017 2.464 ( 0.741 -1.062 1.250) 1.800 2.464 ( 0.741 1.062 1.250) 1.800 3.396 ( -0.052 -1.564 3.070) 3.446 3.396 ( -0.052 1.564 3.070) 3.446 3.612 ( -0.761 -5.051 1.017) 5.208 3.612 ( -0.761 5.051 1.017) 5.208 3.783 ( 1.184 -6.570 -2.732) 7.213 3.783 ( 1.184 6.570 -2.732) 7.213 3.959 ( 1.965 -0.464 -0.040) 2.020 3.959 ( 1.965 0.464 -0.040) 2.020 4.145 ( 1.690 -2.214 0.574) 2.844 4.145 ( 1.690 2.214 0.574) 2.844 4.280 ( -0.841 -1.244 -0.976) 1.791 4.280 ( -0.841 1.244 -0.976) 1.791 4.344 ( 1.135 -1.507 -1.094) 2.181 4.344 ( 1.135 1.507 -1.094) 2.181 4.518 ( -2.990 -0.408 0.379) 3.042 4.518 ( -2.990 0.408 0.379) 3.042 4.570 ( -1.143 -0.720 0.431) 1.418 4.570 ( -1.143 0.720 0.431) 1.418 4.678 ( -0.219 -0.596 -0.004) 0.635 4.678 ( -0.219 0.596 -0.004) 0.635 4.719 ( -0.825 -1.330 -0.409) 1.618 4.719 ( -0.825 1.330 -0.409) 1.618 4.910 ( 0.284 -1.420 0.745) 1.628 4.910 ( 0.284 1.420 0.745) 1.628 4.937 ( 1.905 -1.334 -0.705) 2.430 4.937 ( 1.905 1.334 -0.705) 2.430 5.170 ( 0.404 -0.386 0.947) 1.099 5.170 ( 0.404 0.386 0.947) 1.099 5.234 ( 0.136 -0.915 0.780) 1.210 5.234 ( 0.136 0.915 0.780) 1.210 5.367 ( 0.075 -0.536 -0.046) 0.543 5.367 ( 0.075 0.536 -0.046) 0.543 5.581 ( 4.722 -4.107 -2.489) 6.735 5.581 ( 4.722 4.107 -2.489) 6.735 5.628 ( 0.615 -3.071 -0.264) 3.144 5.628 ( 0.615 3.071 -0.264) 3.144 5.732 ( -4.098 -2.218 2.084) 5.105 5.732 ( -4.098 2.218 2.084) 5.105 5.840 ( 0.733 -0.487 -0.063) 0.883 5.840 ( 0.733 0.487 -0.063) 0.883 6.064 ( 2.235 -0.482 0.003) 2.287 6.064 ( 2.235 0.482 0.003) 2.287 6.228 ( 1.467 -1.116 -0.401) 1.886 6.228 ( 1.467 1.116 -0.401) 1.886 6.348 ( 3.053 -0.838 0.219) 3.173 6.348 ( 3.053 0.838 0.219) 3.173 6.528 ( -0.357 -0.245 0.006) 0.433 6.528 ( -0.357 0.245 0.006) 0.433 6.553 ( 1.943 -0.442 0.031) 1.993 6.553 ( 1.943 0.442 0.031) 1.993 6.733 ( 0.354 -0.274 -0.055) 0.451 6.733 ( 0.354 0.274 -0.055) 0.451 6.872 ( -1.562 -0.270 0.465) 1.652 6.872 ( -1.562 0.270 0.465) 1.652 6.934 ( -0.273 -0.162 -0.308) 0.442 6.934 ( -0.273 0.162 -0.308) 0.442 7.081 ( -0.230 -0.316 0.104) 0.405 7.081 ( -0.230 0.316 0.104) 0.405 7.249 ( -0.426 -0.315 -0.048) 0.532 7.249 ( -0.426 0.315 -0.048) 0.532 7.363 ( -4.066 -0.093 0.031) 4.068 7.363 ( -4.066 0.093 0.031) 4.068 7.398 ( -2.708 -0.595 -0.156) 2.777 7.398 ( -2.708 0.595 -0.156) 2.777 7.735 ( 3.267 -0.135 0.000) 3.270 7.735 ( 3.267 0.135 0.000) 3.270 7.880 ( -3.835 -0.395 0.063) 3.856 7.880 ( -3.835 0.395 0.063) 3.856 8.468 ( -0.602 -0.232 -0.060) 0.648 8.468 ( -0.602 0.232 -0.060) 0.648 8.534 ( 0.332 -0.036 0.044) 0.337 8.534 ( 0.332 0.036 0.044) 0.337 8.752 ( -0.049 -0.272 0.113) 0.298 8.752 ( -0.049 0.272 0.113) 0.298 8.796 ( -0.943 -0.442 -0.214) 1.064 8.796 ( -0.943 0.442 -0.214) 1.064 8.825 ( 0.104 -1.199 0.168) 1.215 8.825 ( 0.104 1.199 0.168) 1.215 8.916 ( 2.027 -0.110 -0.092) 2.032 8.916 ( 2.027 0.110 -0.092) 2.032 ======================= Grid point 115 (63/63) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 2.71e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -6.079 -9.151 -4.780) 11.982 0.634 ( -6.079 9.151 -4.780) 11.982 0.829 ( -17.569 -7.540 2.992) 19.352 0.829 ( -17.569 7.540 2.992) 19.352 1.167 ( -0.837 -3.736 1.154) 3.999 1.167 ( -0.837 3.736 1.154) 3.999 1.421 ( -2.891 -2.959 -4.294) 5.962 1.421 ( -2.891 2.959 -4.294) 5.962 1.502 ( -3.066 -2.189 1.177) 3.947 1.502 ( -3.066 2.189 1.177) 3.947 1.838 ( -2.440 -4.743 3.985) 6.658 1.838 ( -2.440 4.743 3.985) 6.658 2.137 ( 3.340 -2.243 -3.991) 5.667 2.137 ( 3.340 2.243 -3.991) 5.667 2.473 ( -0.429 -0.867 1.199) 1.541 2.473 ( -0.429 0.867 1.199) 1.541 3.409 ( -0.816 -1.204 2.635) 3.009 3.409 ( -0.816 1.204 2.635) 3.009 3.615 ( -0.210 -5.087 1.440) 5.291 3.615 ( -0.210 5.087 1.440) 5.291 3.789 ( 1.502 -6.049 -2.893) 6.871 3.789 ( 1.502 6.049 -2.893) 6.871 4.011 ( 3.170 -0.510 -0.049) 3.211 4.011 ( 3.170 0.510 -0.049) 3.211 4.188 ( 1.687 -1.794 1.509) 2.888 4.188 ( 1.687 1.794 1.509) 2.888 4.253 ( -0.099 -2.092 -2.423) 3.203 4.253 ( -0.099 2.092 -2.423) 3.203 4.365 ( 0.786 -0.459 0.465) 1.023 4.365 ( 0.786 0.459 0.465) 1.023 4.445 ( -4.092 -0.376 -0.358) 4.125 4.445 ( -4.092 0.376 -0.358) 4.125 4.574 ( 0.437 -1.396 0.684) 1.615 4.574 ( 0.437 1.396 0.684) 1.615 4.669 ( -0.402 -1.344 -0.230) 1.422 4.669 ( -0.402 1.344 -0.230) 1.422 4.708 ( -0.064 -1.147 -0.541) 1.270 4.708 ( -0.064 1.147 -0.541) 1.270 4.923 ( 0.382 -1.964 0.924) 2.204 4.923 ( 0.382 1.964 0.924) 2.204 4.960 ( 1.480 -1.786 -1.440) 2.731 4.960 ( 1.480 1.786 -1.440) 2.731 5.188 ( 0.712 -0.428 0.757) 1.124 5.188 ( 0.712 0.428 0.757) 1.124 5.234 ( -0.648 -0.753 0.725) 1.230 5.234 ( -0.648 0.753 0.725) 1.230 5.367 ( 0.093 -0.364 -0.248) 0.450 5.367 ( 0.093 0.364 -0.248) 0.450 5.602 ( -1.491 -3.364 0.168) 3.683 5.602 ( -1.491 3.364 0.168) 3.683 5.636 ( -2.631 -5.402 3.010) 6.720 5.636 ( -2.631 5.402 3.010) 6.720 5.686 ( 2.388 -2.978 -3.094) 4.914 5.686 ( 2.388 2.978 -3.094) 4.914 5.846 ( 0.139 -0.542 -0.250) 0.613 5.846 ( 0.139 0.542 -0.250) 0.613 6.120 ( 2.457 -1.079 -0.055) 2.684 6.120 ( 2.457 1.079 -0.055) 2.684 6.255 ( 1.381 -0.743 -0.258) 1.590 6.255 ( 1.381 0.743 -0.258) 1.590 6.438 ( 5.003 -0.347 0.599) 5.051 6.438 ( 5.003 0.347 0.599) 5.051 6.493 ( -1.271 -0.301 -0.020) 1.306 6.493 ( -1.271 0.301 -0.020) 1.306 6.574 ( -0.422 -0.435 0.124) 0.618 6.574 ( -0.422 0.435 0.124) 0.618 6.752 ( 1.408 -0.373 -0.046) 1.458 6.752 ( 1.408 0.373 -0.046) 1.458 6.836 ( -2.660 -0.550 0.445) 2.752 6.836 ( -2.660 0.550 0.445) 2.752 6.928 ( -0.168 -0.289 -0.344) 0.480 6.928 ( -0.168 0.289 -0.344) 0.480 7.076 ( -0.343 -0.452 -0.142) 0.585 7.076 ( -0.343 0.452 -0.142) 0.585 7.222 ( -2.107 -0.282 0.026) 2.126 7.222 ( -2.107 0.282 0.026) 2.126 7.307 ( -1.552 -0.134 -0.102) 1.561 7.307 ( -1.552 0.134 -0.102) 1.561 7.387 ( 1.519 -0.652 -0.047) 1.653 7.387 ( 1.519 0.652 -0.047) 1.653 7.783 ( 0.427 -0.330 0.055) 0.542 7.783 ( 0.427 0.330 0.055) 0.542 7.800 ( -2.912 -0.111 -0.006) 2.915 7.800 ( -2.912 0.111 -0.006) 2.915 8.459 ( -0.288 -0.241 -0.053) 0.380 8.459 ( -0.288 0.241 -0.053) 0.380 8.536 ( -0.113 -0.076 0.040) 0.142 8.536 ( -0.113 0.076 0.040) 0.142 8.753 ( -0.080 -0.187 0.377) 0.429 8.753 ( -0.080 0.187 0.377) 0.429 8.776 ( -0.670 -0.415 -0.386) 0.877 8.776 ( -0.670 0.415 -0.386) 0.877 8.833 ( 0.396 -0.875 0.089) 0.964 8.833 ( 0.396 0.875 0.089) 0.964 8.947 ( 1.208 -0.024 -0.062) 1.210 8.947 ( 1.208 0.024 -0.062) 1.210 =================== 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 3/15360 10.0 124.656 69.669 62.051 0.000 -16.001 0.000 3/15360 20.0 53.893 26.610 23.579 0.000 -5.307 0.000 3/15360 30.0 33.060 16.217 14.481 0.000 -3.014 0.000 3/15360 40.0 23.496 11.580 10.365 0.000 -2.096 0.000 3/15360 50.0 18.037 8.944 8.008 0.000 -1.614 0.000 3/15360 60.0 14.551 7.257 6.493 0.000 -1.319 0.000 3/15360 70.0 12.161 6.093 5.448 0.000 -1.119 0.000 3/15360 80.0 10.435 5.247 4.689 0.000 -0.975 0.000 3/15360 90.0 9.138 4.607 4.115 0.000 -0.865 0.000 3/15360 100.0 8.130 4.107 3.667 0.000 -0.778 0.000 3/15360 110.0 7.326 3.706 3.308 0.000 -0.708 0.000 3/15360 120.0 6.669 3.378 3.014 0.000 -0.650 0.000 3/15360 130.0 6.124 3.104 2.769 0.000 -0.601 0.000 3/15360 140.0 5.663 2.872 2.562 0.000 -0.559 0.000 3/15360 150.0 5.268 2.673 2.383 0.000 -0.522 0.000 3/15360 160.0 4.926 2.500 2.229 0.000 -0.490 0.000 3/15360 170.0 4.627 2.349 2.094 0.000 -0.462 0.000 3/15360 180.0 4.364 2.215 1.974 0.000 -0.437 0.000 3/15360 190.0 4.129 2.096 1.868 0.000 -0.415 0.000 3/15360 200.0 3.919 1.989 1.773 0.000 -0.394 0.000 3/15360 210.0 3.729 1.893 1.687 0.000 -0.376 0.000 3/15360 220.0 3.558 1.806 1.609 0.000 -0.359 0.000 3/15360 230.0 3.402 1.727 1.538 0.000 -0.344 0.000 3/15360 240.0 3.259 1.654 1.473 0.000 -0.330 0.000 3/15360 250.0 3.128 1.587 1.414 0.000 -0.317 0.000 3/15360 260.0 3.007 1.526 1.359 0.000 -0.305 0.000 3/15360 270.0 2.896 1.469 1.309 0.000 -0.294 0.000 3/15360 280.0 2.792 1.416 1.262 0.000 -0.284 0.000 3/15360 290.0 2.696 1.367 1.218 0.000 -0.275 0.000 3/15360 300.0 2.606 1.322 1.177 0.000 -0.266 0.000 3/15360 310.0 2.522 1.279 1.139 0.000 -0.257 0.000 3/15360 320.0 2.444 1.239 1.104 0.000 -0.249 0.000 3/15360 330.0 2.370 1.202 1.070 0.000 -0.242 0.000 3/15360 340.0 2.300 1.166 1.039 0.000 -0.235 0.000 3/15360 350.0 2.235 1.133 1.009 0.000 -0.228 0.000 3/15360 360.0 2.173 1.102 0.981 0.000 -0.222 0.000 3/15360 370.0 2.115 1.072 0.954 0.000 -0.216 0.000 3/15360 380.0 2.060 1.044 0.929 0.000 -0.211 0.000 3/15360 390.0 2.007 1.017 0.906 0.000 -0.206 0.000 3/15360 400.0 1.957 0.992 0.883 0.000 -0.200 0.000 3/15360 410.0 1.910 0.968 0.862 0.000 -0.196 0.000 3/15360 420.0 1.865 0.945 0.841 0.000 -0.191 0.000 3/15360 430.0 1.822 0.923 0.822 0.000 -0.187 0.000 3/15360 440.0 1.781 0.902 0.803 0.000 -0.183 0.000 3/15360 450.0 1.741 0.882 0.785 0.000 -0.179 0.000 3/15360 460.0 1.704 0.863 0.768 0.000 -0.175 0.000 3/15360 470.0 1.668 0.845 0.752 0.000 -0.171 0.000 3/15360 480.0 1.633 0.827 0.736 0.000 -0.168 0.000 3/15360 490.0 1.600 0.810 0.721 0.000 -0.164 0.000 3/15360 500.0 1.569 0.794 0.707 0.000 -0.161 0.000 3/15360 510.0 1.538 0.779 0.693 0.000 -0.158 0.000 3/15360 520.0 1.509 0.764 0.680 0.000 -0.155 0.000 3/15360 530.0 1.480 0.750 0.667 0.000 -0.152 0.000 3/15360 540.0 1.453 0.736 0.655 0.000 -0.149 0.000 3/15360 550.0 1.427 0.722 0.643 0.000 -0.147 0.000 3/15360 560.0 1.402 0.710 0.632 0.000 -0.144 0.000 3/15360 570.0 1.377 0.697 0.621 0.000 -0.142 0.000 3/15360 580.0 1.354 0.685 0.610 0.000 -0.139 0.000 3/15360 590.0 1.331 0.674 0.600 0.000 -0.137 0.000 3/15360 600.0 1.309 0.663 0.590 0.000 -0.135 0.000 3/15360 610.0 1.288 0.652 0.580 0.000 -0.132 0.000 3/15360 620.0 1.267 0.641 0.571 0.000 -0.130 0.000 3/15360 630.0 1.247 0.631 0.562 0.000 -0.128 0.000 3/15360 640.0 1.228 0.621 0.553 0.000 -0.126 0.000 3/15360 650.0 1.209 0.612 0.545 0.000 -0.124 0.000 3/15360 660.0 1.191 0.603 0.536 0.000 -0.123 0.000 3/15360 670.0 1.173 0.594 0.528 0.000 -0.121 0.000 3/15360 680.0 1.156 0.585 0.521 0.000 -0.119 0.000 3/15360 690.0 1.140 0.577 0.513 0.000 -0.117 0.000 3/15360 700.0 1.124 0.568 0.506 0.000 -0.116 0.000 3/15360 710.0 1.108 0.560 0.499 0.000 -0.114 0.000 3/15360 720.0 1.093 0.553 0.492 0.000 -0.112 0.000 3/15360 730.0 1.078 0.545 0.485 0.000 -0.111 0.000 3/15360 740.0 1.063 0.538 0.479 0.000 -0.109 0.000 3/15360 750.0 1.049 0.531 0.472 0.000 -0.108 0.000 3/15360 760.0 1.036 0.524 0.466 0.000 -0.107 0.000 3/15360 770.0 1.022 0.517 0.460 0.000 -0.105 0.000 3/15360 780.0 1.009 0.510 0.454 0.000 -0.104 0.000 3/15360 790.0 0.997 0.504 0.449 0.000 -0.103 0.000 3/15360 800.0 0.984 0.498 0.443 0.000 -0.101 0.000 3/15360 810.0 0.972 0.492 0.438 0.000 -0.100 0.000 3/15360 820.0 0.960 0.486 0.432 0.000 -0.099 0.000 3/15360 830.0 0.949 0.480 0.427 0.000 -0.098 0.000 3/15360 840.0 0.938 0.474 0.422 0.000 -0.097 0.000 3/15360 850.0 0.927 0.469 0.417 0.000 -0.095 0.000 3/15360 860.0 0.916 0.463 0.412 0.000 -0.094 0.000 3/15360 870.0 0.906 0.458 0.408 0.000 -0.093 0.000 3/15360 880.0 0.895 0.453 0.403 0.000 -0.092 0.000 3/15360 890.0 0.885 0.448 0.398 0.000 -0.091 0.000 3/15360 900.0 0.876 0.443 0.394 0.000 -0.090 0.000 3/15360 910.0 0.866 0.438 0.390 0.000 -0.089 0.000 3/15360 920.0 0.857 0.433 0.385 0.000 -0.088 0.000 3/15360 930.0 0.848 0.429 0.381 0.000 -0.087 0.000 3/15360 940.0 0.839 0.424 0.377 0.000 -0.086 0.000 3/15360 950.0 0.830 0.420 0.373 0.000 -0.086 0.000 3/15360 960.0 0.821 0.415 0.370 0.000 -0.085 0.000 3/15360 970.0 0.813 0.411 0.366 0.000 -0.084 0.000 3/15360 980.0 0.805 0.407 0.362 0.000 -0.083 0.000 3/15360 990.0 0.797 0.403 0.358 0.000 -0.082 0.000 3/15360 1000.0 0.789 0.399 0.355 0.000 -0.081 0.000 3/15360 Thermal conductivity related properties were written into "kappa-m845.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:35:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|