----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:17:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.127629100006782 0.000000000000000 0.000000000000000 b 0.000000000000000 8.104195259999999 0.000000000000000 c -8.038889423902733 0.000000000000000 8.130644854648652 Atomic positions (fractional): *1 O 0.71089362225877 0.53832049139576 0.96056952922300 15.999 2 O 0.28910637774123 0.03832049139576 0.53943047077700 15.999 3 O 0.28910637774123 0.46167950860424 0.03943047077700 15.999 4 O 0.71089362225877 0.96167950860424 0.46056952922300 15.999 *5 O 0.01821356175190 0.74987577241738 0.47027834868278 15.999 6 O 0.98178643824810 0.24987577241738 0.02972165131722 15.999 7 O 0.98178643824810 0.25012422758262 0.52972165131722 15.999 8 O 0.01821356175190 0.75012422758262 0.97027834868278 15.999 *9 O 0.21309698737354 0.54099275795452 0.75043570447453 15.999 10 O 0.78690301262646 0.04099275795452 0.74956429552547 15.999 11 O 0.78690301262646 0.45900724204548 0.24956429552547 15.999 12 O 0.21309698737354 0.95900724204548 0.25043570447453 15.999 *13 O 0.51829720508323 0.77065095224070 0.54357193111511 15.999 14 O 0.48170279491677 0.27065095224070 0.95642806888489 15.999 15 O 0.48170279491677 0.22934904775930 0.45642806888489 15.999 16 O 0.51829720508323 0.72934904775930 0.04357193111511 15.999 *17 O 0.26359208031351 0.03908955943867 0.03540259350587 15.999 18 O 0.73640791968649 0.53908955943867 0.46459740649413 15.999 19 O 0.73640791968649 0.96091044056133 0.96459740649413 15.999 20 O 0.26359208031351 0.46091044056133 0.53540259350587 15.999 *21 O 0.80648400811345 0.03686356337302 0.27095222383475 15.999 22 O 0.19351599188655 0.53686356337302 0.22904777616525 15.999 23 O 0.19351599188655 0.96313643662698 0.72904777616525 15.999 24 O 0.80648400811345 0.46313643662698 0.77095222383475 15.999 *25 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 26 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 *27 Sr 0.53211929667880 0.25487354739335 0.76340039431134 87.620 28 Sr 0.46788070332120 0.75487354739335 0.73659960568866 87.620 *29 Sr 0.95601637998986 0.74542505303143 0.72233909899586 87.620 30 Sr 0.04398362001014 0.24542505303143 0.77766090100414 87.620 31 Sr 0.46788070332120 0.74512645260665 0.23659960568866 87.620 32 Sr 0.53211929667880 0.24512645260665 0.26340039431134 87.620 33 Sr 0.95601637998986 0.75457494696857 0.22233909899586 87.620 34 Sr 0.04398362001014 0.25457494696857 0.27766090100414 87.620 *35 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 36 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 *37 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 38 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 *39 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 40 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.127629100006782 0.000000000000000 0.000000000000000 b 0.000000000000000 8.104195259999999 0.000000000000000 c -8.038889423902733 0.000000000000000 8.130644854648652 Atomic positions (fractional): *1 O 0.71089362225877 0.53832049139576 0.96056952922300 15.999 > 1 2 O 0.28910637774123 0.03832049139576 0.53943047077700 15.999 > 2 3 O 0.28910637774123 0.46167950860424 0.03943047077700 15.999 > 3 4 O 0.71089362225877 0.96167950860424 0.46056952922300 15.999 > 4 *5 O 0.01821356175190 0.74987577241738 0.47027834868278 15.999 > 5 6 O 0.98178643824810 0.24987577241738 0.02972165131722 15.999 > 6 7 O 0.98178643824810 0.25012422758262 0.52972165131722 15.999 > 7 8 O 0.01821356175190 0.75012422758262 0.97027834868278 15.999 > 8 *9 O 0.21309698737354 0.54099275795452 0.75043570447453 15.999 > 9 10 O 0.78690301262646 0.04099275795452 0.74956429552547 15.999 > 10 11 O 0.78690301262646 0.45900724204548 0.24956429552547 15.999 > 11 12 O 0.21309698737354 0.95900724204548 0.25043570447453 15.999 > 12 *13 O 0.51829720508323 0.77065095224070 0.54357193111511 15.999 > 13 14 O 0.48170279491677 0.27065095224070 0.95642806888489 15.999 > 14 15 O 0.48170279491677 0.22934904775930 0.45642806888489 15.999 > 15 16 O 0.51829720508323 0.72934904775930 0.04357193111511 15.999 > 16 *17 O 0.26359208031351 0.03908955943867 0.03540259350587 15.999 > 17 18 O 0.73640791968649 0.53908955943867 0.46459740649413 15.999 > 18 19 O 0.73640791968649 0.96091044056133 0.96459740649413 15.999 > 19 20 O 0.26359208031351 0.46091044056133 0.53540259350587 15.999 > 20 *21 O 0.80648400811345 0.03686356337302 0.27095222383475 15.999 > 21 22 O 0.19351599188655 0.53686356337302 0.22904777616525 15.999 > 22 23 O 0.19351599188655 0.96313643662698 0.72904777616525 15.999 > 23 24 O 0.80648400811345 0.46313643662698 0.77095222383475 15.999 > 24 *25 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 25 26 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 26 *27 Sr 0.53211929667880 0.25487354739335 0.76340039431134 87.620 > 27 28 Sr 0.46788070332120 0.75487354739335 0.73659960568866 87.620 > 28 *29 Sr 0.95601637998986 0.74542505303143 0.72233909899586 87.620 > 29 30 Sr 0.04398362001014 0.24542505303143 0.77766090100414 87.620 > 30 31 Sr 0.46788070332120 0.74512645260665 0.23659960568866 87.620 > 31 32 Sr 0.53211929667880 0.24512645260665 0.26340039431134 87.620 > 32 33 Sr 0.95601637998986 0.75457494696857 0.22233909899586 87.620 > 33 34 Sr 0.04398362001014 0.25457494696857 0.27766090100414 87.620 > 34 *35 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 35 36 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 36 *37 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 37 38 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 > 38 *39 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 39 40 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.127629100006782 0.000000000000000 0.000000000000000 b 0.000000000000000 16.208390519999998 0.000000000000000 c -8.038889423902733 0.000000000000000 8.130644854648652 Atomic positions (fractional): *1 O 0.71089362225877 0.26916024569788 0.96056952922300 15.999 > 1 2 O 0.71089362225877 0.76916024569788 0.96056952922300 15.999 > 1 3 O 0.28910637774123 0.01916024569788 0.53943047077700 15.999 > 2 4 O 0.28910637774123 0.51916024569788 0.53943047077700 15.999 > 2 5 O 0.28910637774123 0.23083975430212 0.03943047077700 15.999 > 3 6 O 0.28910637774123 0.73083975430212 0.03943047077700 15.999 > 3 7 O 0.71089362225877 0.48083975430212 0.46056952922300 15.999 > 4 8 O 0.71089362225877 0.98083975430212 0.46056952922300 15.999 > 4 *9 O 0.01821356175190 0.37493788620869 0.47027834868278 15.999 > 5 10 O 0.01821356175190 0.87493788620869 0.47027834868278 15.999 > 5 11 O 0.98178643824810 0.12493788620869 0.02972165131722 15.999 > 6 12 O 0.98178643824810 0.62493788620869 0.02972165131722 15.999 > 6 13 O 0.98178643824810 0.12506211379131 0.52972165131722 15.999 > 7 14 O 0.98178643824810 0.62506211379131 0.52972165131722 15.999 > 7 15 O 0.01821356175190 0.37506211379131 0.97027834868278 15.999 > 8 16 O 0.01821356175190 0.87506211379131 0.97027834868278 15.999 > 8 *17 O 0.21309698737354 0.27049637897726 0.75043570447453 15.999 > 9 18 O 0.21309698737354 0.77049637897726 0.75043570447453 15.999 > 9 19 O 0.78690301262646 0.02049637897726 0.74956429552547 15.999 > 10 20 O 0.78690301262646 0.52049637897726 0.74956429552547 15.999 > 10 21 O 0.78690301262646 0.22950362102274 0.24956429552547 15.999 > 11 22 O 0.78690301262646 0.72950362102274 0.24956429552547 15.999 > 11 23 O 0.21309698737354 0.47950362102274 0.25043570447453 15.999 > 12 24 O 0.21309698737354 0.97950362102274 0.25043570447453 15.999 > 12 *25 O 0.51829720508323 0.38532547612035 0.54357193111511 15.999 > 13 26 O 0.51829720508323 0.88532547612035 0.54357193111511 15.999 > 13 27 O 0.48170279491677 0.13532547612035 0.95642806888489 15.999 > 14 28 O 0.48170279491677 0.63532547612035 0.95642806888489 15.999 > 14 29 O 0.48170279491677 0.11467452387965 0.45642806888489 15.999 > 15 30 O 0.48170279491677 0.61467452387965 0.45642806888489 15.999 > 15 31 O 0.51829720508323 0.36467452387965 0.04357193111511 15.999 > 16 32 O 0.51829720508323 0.86467452387965 0.04357193111511 15.999 > 16 *33 O 0.26359208031351 0.01954477971934 0.03540259350587 15.999 > 17 34 O 0.26359208031351 0.51954477971934 0.03540259350587 15.999 > 17 35 O 0.73640791968649 0.26954477971934 0.46459740649413 15.999 > 18 36 O 0.73640791968649 0.76954477971934 0.46459740649413 15.999 > 18 37 O 0.73640791968649 0.48045522028066 0.96459740649413 15.999 > 19 38 O 0.73640791968649 0.98045522028066 0.96459740649413 15.999 > 19 39 O 0.26359208031351 0.23045522028066 0.53540259350587 15.999 > 20 40 O 0.26359208031351 0.73045522028066 0.53540259350587 15.999 > 20 *41 O 0.80648400811345 0.01843178168651 0.27095222383475 15.999 > 21 42 O 0.80648400811345 0.51843178168651 0.27095222383475 15.999 > 21 43 O 0.19351599188655 0.26843178168651 0.22904777616525 15.999 > 22 44 O 0.19351599188655 0.76843178168651 0.22904777616525 15.999 > 22 45 O 0.19351599188655 0.48156821831349 0.72904777616525 15.999 > 23 46 O 0.19351599188655 0.98156821831349 0.72904777616525 15.999 > 23 47 O 0.80648400811345 0.23156821831349 0.77095222383475 15.999 > 24 48 O 0.80648400811345 0.73156821831349 0.77095222383475 15.999 > 24 *49 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 25 50 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 25 51 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 26 52 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 26 *53 Sr 0.53211929667880 0.12743677369667 0.76340039431134 87.620 > 27 54 Sr 0.53211929667880 0.62743677369667 0.76340039431134 87.620 > 27 55 Sr 0.46788070332120 0.37743677369667 0.73659960568866 87.620 > 28 56 Sr 0.46788070332120 0.87743677369667 0.73659960568866 87.620 > 28 *57 Sr 0.95601637998986 0.37271252651571 0.72233909899586 87.620 > 29 58 Sr 0.95601637998986 0.87271252651571 0.72233909899586 87.620 > 29 59 Sr 0.04398362001014 0.12271252651571 0.77766090100414 87.620 > 30 60 Sr 0.04398362001014 0.62271252651571 0.77766090100414 87.620 > 30 61 Sr 0.46788070332120 0.37256322630333 0.23659960568866 87.620 > 31 62 Sr 0.46788070332120 0.87256322630333 0.23659960568866 87.620 > 31 63 Sr 0.53211929667880 0.12256322630333 0.26340039431134 87.620 > 32 64 Sr 0.53211929667880 0.62256322630333 0.26340039431134 87.620 > 32 65 Sr 0.95601637998986 0.37728747348429 0.22233909899586 87.620 > 33 66 Sr 0.95601637998986 0.87728747348429 0.22233909899586 87.620 > 33 67 Sr 0.04398362001014 0.12728747348429 0.27766090100414 87.620 > 34 68 Sr 0.04398362001014 0.62728747348429 0.27766090100414 87.620 > 34 *69 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 35 70 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 35 71 Sb 0.00000000000000 0.25000000000000 0.00000000000000 121.760 > 36 72 Sb 0.00000000000000 0.75000000000000 0.00000000000000 121.760 > 36 *73 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 37 74 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 37 75 Sb 0.50000000000000 0.25000000000000 0.00000000000000 121.760 > 38 76 Sb 0.50000000000000 0.75000000000000 0.00000000000000 121.760 > 38 *77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 39 78 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 39 79 Sb 0.00000000000000 0.25000000000000 0.50000000000000 121.760 > 40 80 Sb 0.00000000000000 0.75000000000000 0.50000000000000 121.760 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1029664 0.0000000 0.0010909 0.0000000 4.0810124 0.0000000 0.0010896 0.0000000 4.1073454 -------------------------- Born effective charges -------------------------- 1 O -3.6348288 -0.0182117 -0.0436476 0.0098047 -1.6269608 0.0724974 -0.0747485 0.0449676 -1.6136979 2 O -3.6348288 0.0182117 -0.0436476 -0.0098047 -1.6269608 -0.0724974 -0.0747485 -0.0449676 -1.6136979 3 O -3.6348288 -0.0182117 -0.0436476 0.0098047 -1.6269608 0.0724974 -0.0747485 0.0449676 -1.6136979 4 O -3.6348288 0.0182117 -0.0436476 -0.0098047 -1.6269608 -0.0724974 -0.0747485 -0.0449676 -1.6136979 5 O -1.5584020 -0.0520844 0.0781510 -0.0684978 -3.6138878 -0.0633807 0.0993492 -0.0366078 -1.6908944 6 O -1.5584020 0.0520844 0.0781510 0.0684978 -3.6138878 0.0633807 0.0993492 0.0366078 -1.6908944 7 O -1.5584020 -0.0520844 0.0781510 -0.0684978 -3.6138878 -0.0633807 0.0993492 -0.0366078 -1.6908944 8 O -1.5584020 0.0520844 0.0781510 0.0684978 -3.6138878 0.0633807 0.0993492 0.0366078 -1.6908944 9 O -1.6364085 0.0055637 -0.0285427 0.0411919 -1.6098750 0.0980771 0.0002190 0.1371081 -3.6288171 10 O -1.6364085 -0.0055637 -0.0285427 -0.0411919 -1.6098750 -0.0980771 0.0002190 -0.1371081 -3.6288171 11 O -1.6364085 0.0055637 -0.0285427 0.0411919 -1.6098750 0.0980771 0.0002190 0.1371081 -3.6288171 12 O -1.6364085 -0.0055637 -0.0285427 -0.0411919 -1.6098750 -0.0980771 0.0002190 -0.1371081 -3.6288171 13 O -2.0308693 0.0082975 0.0938282 -0.0278913 -1.8594353 0.1851390 0.0330445 0.0865633 -1.8795074 14 O -2.0308693 -0.0082975 0.0938282 0.0278913 -1.8594353 -0.1851390 0.0330445 -0.0865633 -1.8795074 15 O -2.0308693 0.0082975 0.0938282 -0.0278913 -1.8594353 0.1851390 0.0330445 0.0865633 -1.8795074 16 O -2.0308693 -0.0082975 0.0938282 0.0278913 -1.8594353 -0.1851390 0.0330445 -0.0865633 -1.8795074 17 O -1.8936526 -0.2132708 -0.1512606 -0.1301262 -1.9353350 0.0082237 -0.0979611 -0.0014713 -1.9720790 18 O -1.8936526 0.2132708 -0.1512606 0.1301262 -1.9353350 -0.0082237 -0.0979611 0.0014713 -1.9720790 19 O -1.8936526 -0.2132708 -0.1512606 -0.1301262 -1.9353350 0.0082237 -0.0979611 -0.0014713 -1.9720790 20 O -1.8936526 0.2132708 -0.1512606 0.1301262 -1.9353350 -0.0082237 -0.0979611 0.0014713 -1.9720790 21 O -1.9490794 0.0136180 0.0272935 0.0165991 -1.9201226 -0.0002305 0.1061656 0.0548948 -1.8485985 22 O -1.9490794 -0.0136180 0.0272935 -0.0165991 -1.9201226 0.0002305 0.1061656 -0.0548948 -1.8485985 23 O -1.9490794 0.0136180 0.0272935 0.0165991 -1.9201226 -0.0002305 0.1061656 0.0548948 -1.8485985 24 O -1.9490794 -0.0136180 0.0272935 -0.0165991 -1.9201226 0.0002305 0.1061656 -0.0548948 -1.8485985 25 Na 1.1665366 0.1135106 -0.0759101 -0.0620032 1.1679182 0.1197478 0.0931749 -0.1047976 1.1738750 26 Na 1.1665366 -0.1135106 -0.0759101 0.0620032 1.1679182 -0.1197478 0.0931749 0.1047976 1.1738750 27 Sr 2.4187211 -0.2609468 0.2125403 -0.2268102 2.4807199 0.1902650 0.1352179 0.1302514 2.6424325 28 Sr 2.4187211 0.2609468 0.2125403 0.2268102 2.4807199 -0.1902650 0.1352179 -0.1302514 2.6424325 29 Sr 2.6501104 -0.1438972 -0.2153564 -0.2228788 2.4591695 -0.1679533 -0.2398158 -0.2588260 2.3858751 30 Sr 2.6501104 0.1438972 -0.2153564 0.2228788 2.4591695 0.1679533 -0.2398158 0.2588260 2.3858751 31 Sr 2.4187211 -0.2609468 0.2125403 -0.2268102 2.4807199 0.1902650 0.1352179 0.1302514 2.6424325 32 Sr 2.4187211 0.2609468 0.2125403 0.2268102 2.4807199 -0.1902650 0.1352179 -0.1302514 2.6424325 33 Sr 2.6501104 0.1438972 -0.2153564 0.2228788 2.4591695 0.1679533 -0.2398158 0.2588260 2.3858751 34 Sr 2.6501104 -0.1438972 -0.2153564 -0.2228788 2.4591695 -0.1679533 -0.2398158 -0.2588260 2.3858751 35 Sb 5.3811596 0.2529293 0.4009387 -0.3587345 5.3535053 0.3493859 0.0401034 -0.0113048 3.2715250 36 Sb 5.3811596 -0.2529293 0.4009387 0.3587345 5.3535053 -0.3493859 0.0401034 0.0113048 3.2715250 37 Sb 5.3543797 -0.5246706 -0.2559147 -0.0868329 3.3355473 0.0783470 0.2938727 0.4437094 5.4247156 38 Sb 5.3543797 0.5246706 -0.2559147 0.0868329 3.3355473 -0.0783470 0.2938727 -0.4437094 5.4247156 39 Sb 3.3667422 -0.0533488 -0.0151253 -0.4533398 5.3944835 0.1382830 -0.3500925 -0.3547114 5.3404581 40 Sb 3.3667422 0.0533488 -0.0151253 0.4533398 5.3944835 -0.1382830 -0.3500925 0.3547114 5.3404581 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3762 Number of blocks in projector: 3762 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: 816 Use submatrix version of eigh solver. (1) Block: 500 / 816 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 816 / 816 (1) 292 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 816 Use submatrix version of eigh solver. (1) Block: 500 / 816 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 816 / 816 (1) 292 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 816 Use submatrix version of eigh solver. (1) Block: 500 / 816 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 816 / 816 (1) 299 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 438 Use standard eigh solver. Tree of FC basis block matrices: - (3762, 3655), data: False |-- (438, 426), data: True |-- (438, 426), data: True |-- (438, 426), data: True |-- (816, 793), data: False |-- (816, 17), data: (816, 40) @ (40, 17) |-- (316, 299), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (816, 792), data: False |-- (816, 24), data: (816, 48) @ (48, 24) |-- (316, 292), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (816, 792), data: False |-- (816, 24), data: (816, 48) @ (48, 24) |-- (316, 292), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.842 Solver_block: 200 / 1200 - Time: 0.690 Solver_block: 300 / 1200 - Time: 0.655 Solver_block: 400 / 1200 - Time: 0.650 Solver_block: 500 / 1200 - Time: 0.823 Solver_block: 600 / 1200 - Time: 0.753 Solver_block: 700 / 1200 - Time: 0.739 Solver_block: 800 / 1200 - Time: 0.972 Solver_block: 900 / 1200 - Time: 0.681 Solver_block: 1000 / 1200 - Time: 0.690 Solver_block: 1100 / 1200 - Time: 0.646 Solver_block: 1200 / 1200 - Time: 0.614 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.048 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3762 Number of blocks in projector: 3762 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: 816 Use submatrix version of eigh solver. (1) Block: 500 / 816 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 816 / 816 (1) 292 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 816 Use submatrix version of eigh solver. (1) Block: 500 / 816 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 816 / 816 (1) 292 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 816 Use submatrix version of eigh solver. (1) Block: 500 / 816 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 816 / 816 (1) 299 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 438 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 438 Use standard eigh solver. Tree of FC basis block matrices: - (3762, 3655), data: False |-- (438, 426), data: True |-- (438, 426), data: True |-- (438, 426), data: True |-- (816, 793), data: False |-- (816, 17), data: (816, 40) @ (40, 17) |-- (316, 299), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (816, 792), data: False |-- (816, 24), data: (816, 48) @ (48, 24) |-- (316, 292), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (816, 792), data: False |-- (816, 24), data: (816, 48) @ (48, 24) |-- (316, 292), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:18:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:18:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.127629100006782 0.000000000000000 0.000000000000000 b 0.000000000000000 8.104195259999999 0.000000000000000 c -8.038889423902733 0.000000000000000 8.130644854648652 Atomic positions (fractional): 1 O 0.71089362225877 0.53832049139576 0.96056952922300 15.999 2 O 0.28910637774123 0.03832049139576 0.53943047077700 15.999 3 O 0.28910637774123 0.46167950860424 0.03943047077700 15.999 4 O 0.71089362225877 0.96167950860424 0.46056952922300 15.999 5 O 0.01821356175190 0.74987577241738 0.47027834868278 15.999 6 O 0.98178643824810 0.24987577241738 0.02972165131722 15.999 7 O 0.98178643824810 0.25012422758262 0.52972165131722 15.999 8 O 0.01821356175190 0.75012422758262 0.97027834868278 15.999 9 O 0.21309698737354 0.54099275795452 0.75043570447453 15.999 10 O 0.78690301262646 0.04099275795452 0.74956429552547 15.999 11 O 0.78690301262646 0.45900724204548 0.24956429552547 15.999 12 O 0.21309698737354 0.95900724204548 0.25043570447453 15.999 13 O 0.51829720508323 0.77065095224070 0.54357193111511 15.999 14 O 0.48170279491677 0.27065095224070 0.95642806888489 15.999 15 O 0.48170279491677 0.22934904775930 0.45642806888489 15.999 16 O 0.51829720508323 0.72934904775930 0.04357193111511 15.999 17 O 0.26359208031351 0.03908955943867 0.03540259350587 15.999 18 O 0.73640791968649 0.53908955943867 0.46459740649413 15.999 19 O 0.73640791968649 0.96091044056133 0.96459740649413 15.999 20 O 0.26359208031351 0.46091044056133 0.53540259350587 15.999 21 O 0.80648400811345 0.03686356337302 0.27095222383475 15.999 22 O 0.19351599188655 0.53686356337302 0.22904777616525 15.999 23 O 0.19351599188655 0.96313643662698 0.72904777616525 15.999 24 O 0.80648400811345 0.46313643662698 0.77095222383475 15.999 25 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 26 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 27 Sr 0.53211929667880 0.25487354739335 0.76340039431134 87.620 28 Sr 0.46788070332120 0.75487354739335 0.73659960568866 87.620 29 Sr 0.95601637998986 0.74542505303143 0.72233909899586 87.620 30 Sr 0.04398362001014 0.24542505303143 0.77766090100414 87.620 31 Sr 0.46788070332120 0.74512645260665 0.23659960568866 87.620 32 Sr 0.53211929667880 0.24512645260665 0.26340039431134 87.620 33 Sr 0.95601637998986 0.75457494696857 0.22233909899586 87.620 34 Sr 0.04398362001014 0.25457494696857 0.27766090100414 87.620 35 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 36 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 37 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 38 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 39 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 40 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.127629100006782 0.000000000000000 0.000000000000000 b 0.000000000000000 16.208390519999998 0.000000000000000 c -8.038889423902733 0.000000000000000 8.130644854648652 Atomic positions (fractional): 1 O 0.71089362225877 0.26916024569788 0.96056952922300 15.999 > 1 2 O 0.71089362225877 0.76916024569788 0.96056952922300 15.999 > 1 3 O 0.28910637774123 0.01916024569788 0.53943047077700 15.999 > 3 4 O 0.28910637774123 0.51916024569788 0.53943047077700 15.999 > 3 5 O 0.28910637774123 0.23083975430212 0.03943047077700 15.999 > 5 6 O 0.28910637774123 0.73083975430212 0.03943047077700 15.999 > 5 7 O 0.71089362225877 0.48083975430212 0.46056952922300 15.999 > 7 8 O 0.71089362225877 0.98083975430212 0.46056952922300 15.999 > 7 9 O 0.01821356175190 0.37493788620869 0.47027834868278 15.999 > 9 10 O 0.01821356175190 0.87493788620869 0.47027834868278 15.999 > 9 11 O 0.98178643824810 0.12493788620869 0.02972165131722 15.999 > 11 12 O 0.98178643824810 0.62493788620869 0.02972165131722 15.999 > 11 13 O 0.98178643824810 0.12506211379131 0.52972165131722 15.999 > 13 14 O 0.98178643824810 0.62506211379131 0.52972165131722 15.999 > 13 15 O 0.01821356175190 0.37506211379131 0.97027834868278 15.999 > 15 16 O 0.01821356175190 0.87506211379131 0.97027834868278 15.999 > 15 17 O 0.21309698737354 0.27049637897726 0.75043570447453 15.999 > 17 18 O 0.21309698737354 0.77049637897726 0.75043570447453 15.999 > 17 19 O 0.78690301262646 0.02049637897726 0.74956429552547 15.999 > 19 20 O 0.78690301262646 0.52049637897726 0.74956429552547 15.999 > 19 21 O 0.78690301262646 0.22950362102274 0.24956429552547 15.999 > 21 22 O 0.78690301262646 0.72950362102274 0.24956429552547 15.999 > 21 23 O 0.21309698737354 0.47950362102274 0.25043570447453 15.999 > 23 24 O 0.21309698737354 0.97950362102274 0.25043570447453 15.999 > 23 25 O 0.51829720508323 0.38532547612035 0.54357193111511 15.999 > 25 26 O 0.51829720508323 0.88532547612035 0.54357193111511 15.999 > 25 27 O 0.48170279491677 0.13532547612035 0.95642806888489 15.999 > 27 28 O 0.48170279491677 0.63532547612035 0.95642806888489 15.999 > 27 29 O 0.48170279491677 0.11467452387965 0.45642806888489 15.999 > 29 30 O 0.48170279491677 0.61467452387965 0.45642806888489 15.999 > 29 31 O 0.51829720508323 0.36467452387965 0.04357193111511 15.999 > 31 32 O 0.51829720508323 0.86467452387965 0.04357193111511 15.999 > 31 33 O 0.26359208031351 0.01954477971934 0.03540259350587 15.999 > 33 34 O 0.26359208031351 0.51954477971934 0.03540259350587 15.999 > 33 35 O 0.73640791968649 0.26954477971934 0.46459740649413 15.999 > 35 36 O 0.73640791968649 0.76954477971934 0.46459740649413 15.999 > 35 37 O 0.73640791968649 0.48045522028066 0.96459740649413 15.999 > 37 38 O 0.73640791968649 0.98045522028066 0.96459740649413 15.999 > 37 39 O 0.26359208031351 0.23045522028066 0.53540259350587 15.999 > 39 40 O 0.26359208031351 0.73045522028066 0.53540259350587 15.999 > 39 41 O 0.80648400811345 0.01843178168651 0.27095222383475 15.999 > 41 42 O 0.80648400811345 0.51843178168651 0.27095222383475 15.999 > 41 43 O 0.19351599188655 0.26843178168651 0.22904777616525 15.999 > 43 44 O 0.19351599188655 0.76843178168651 0.22904777616525 15.999 > 43 45 O 0.19351599188655 0.48156821831349 0.72904777616525 15.999 > 45 46 O 0.19351599188655 0.98156821831349 0.72904777616525 15.999 > 45 47 O 0.80648400811345 0.23156821831349 0.77095222383475 15.999 > 47 48 O 0.80648400811345 0.73156821831349 0.77095222383475 15.999 > 47 49 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 49 50 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 49 51 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 51 52 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 51 53 Sr 0.53211929667880 0.12743677369667 0.76340039431134 87.620 > 53 54 Sr 0.53211929667880 0.62743677369667 0.76340039431134 87.620 > 53 55 Sr 0.46788070332120 0.37743677369667 0.73659960568866 87.620 > 55 56 Sr 0.46788070332120 0.87743677369667 0.73659960568866 87.620 > 55 57 Sr 0.95601637998986 0.37271252651571 0.72233909899586 87.620 > 57 58 Sr 0.95601637998986 0.87271252651571 0.72233909899586 87.620 > 57 59 Sr 0.04398362001014 0.12271252651571 0.77766090100414 87.620 > 59 60 Sr 0.04398362001014 0.62271252651571 0.77766090100414 87.620 > 59 61 Sr 0.46788070332120 0.37256322630333 0.23659960568866 87.620 > 61 62 Sr 0.46788070332120 0.87256322630333 0.23659960568866 87.620 > 61 63 Sr 0.53211929667880 0.12256322630333 0.26340039431134 87.620 > 63 64 Sr 0.53211929667880 0.62256322630333 0.26340039431134 87.620 > 63 65 Sr 0.95601637998986 0.37728747348429 0.22233909899586 87.620 > 65 66 Sr 0.95601637998986 0.87728747348429 0.22233909899586 87.620 > 65 67 Sr 0.04398362001014 0.12728747348429 0.27766090100414 87.620 > 67 68 Sr 0.04398362001014 0.62728747348429 0.27766090100414 87.620 > 67 69 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 69 70 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 69 71 Sb 0.00000000000000 0.25000000000000 0.00000000000000 121.760 > 71 72 Sb 0.00000000000000 0.75000000000000 0.00000000000000 121.760 > 71 73 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 73 74 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 73 75 Sb 0.50000000000000 0.25000000000000 0.00000000000000 121.760 > 75 76 Sb 0.50000000000000 0.75000000000000 0.00000000000000 121.760 > 75 77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 77 78 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 77 79 Sb 0.00000000000000 0.25000000000000 0.50000000000000 121.760 > 79 80 Sb 0.00000000000000 0.75000000000000 0.50000000000000 121.760 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.1029664 0.0000000 0.0010909 0.0000000 4.0810124 0.0000000 0.0010896 0.0000000 4.1073454 -------------------------- Born effective charges -------------------------- 1 O -3.6348288 -0.0182117 -0.0436476 0.0098047 -1.6269608 0.0724974 -0.0747485 0.0449676 -1.6136979 2 O -3.6348288 0.0182117 -0.0436476 -0.0098047 -1.6269608 -0.0724974 -0.0747485 -0.0449676 -1.6136979 3 O -3.6348288 -0.0182117 -0.0436476 0.0098047 -1.6269608 0.0724974 -0.0747485 0.0449676 -1.6136979 4 O -3.6348288 0.0182117 -0.0436476 -0.0098047 -1.6269608 -0.0724974 -0.0747485 -0.0449676 -1.6136979 5 O -1.5584020 -0.0520844 0.0781510 -0.0684978 -3.6138878 -0.0633807 0.0993492 -0.0366078 -1.6908944 6 O -1.5584020 0.0520844 0.0781510 0.0684978 -3.6138878 0.0633807 0.0993492 0.0366078 -1.6908944 7 O -1.5584020 -0.0520844 0.0781510 -0.0684978 -3.6138878 -0.0633807 0.0993492 -0.0366078 -1.6908944 8 O -1.5584020 0.0520844 0.0781510 0.0684978 -3.6138878 0.0633807 0.0993492 0.0366078 -1.6908944 9 O -1.6364085 0.0055637 -0.0285427 0.0411919 -1.6098750 0.0980771 0.0002190 0.1371081 -3.6288171 10 O -1.6364085 -0.0055637 -0.0285427 -0.0411919 -1.6098750 -0.0980771 0.0002190 -0.1371081 -3.6288171 11 O -1.6364085 0.0055637 -0.0285427 0.0411919 -1.6098750 0.0980771 0.0002190 0.1371081 -3.6288171 12 O -1.6364085 -0.0055637 -0.0285427 -0.0411919 -1.6098750 -0.0980771 0.0002190 -0.1371081 -3.6288171 13 O -2.0308693 0.0082975 0.0938282 -0.0278913 -1.8594353 0.1851390 0.0330445 0.0865633 -1.8795074 14 O -2.0308693 -0.0082975 0.0938282 0.0278913 -1.8594353 -0.1851390 0.0330445 -0.0865633 -1.8795074 15 O -2.0308693 0.0082975 0.0938282 -0.0278913 -1.8594353 0.1851390 0.0330445 0.0865633 -1.8795074 16 O -2.0308693 -0.0082975 0.0938282 0.0278913 -1.8594353 -0.1851390 0.0330445 -0.0865633 -1.8795074 17 O -1.8936526 -0.2132708 -0.1512606 -0.1301262 -1.9353350 0.0082237 -0.0979611 -0.0014713 -1.9720790 18 O -1.8936526 0.2132708 -0.1512606 0.1301262 -1.9353350 -0.0082237 -0.0979611 0.0014713 -1.9720790 19 O -1.8936526 -0.2132708 -0.1512606 -0.1301262 -1.9353350 0.0082237 -0.0979611 -0.0014713 -1.9720790 20 O -1.8936526 0.2132708 -0.1512606 0.1301262 -1.9353350 -0.0082237 -0.0979611 0.0014713 -1.9720790 21 O -1.9490794 0.0136180 0.0272935 0.0165991 -1.9201226 -0.0002305 0.1061656 0.0548948 -1.8485985 22 O -1.9490794 -0.0136180 0.0272935 -0.0165991 -1.9201226 0.0002305 0.1061656 -0.0548948 -1.8485985 23 O -1.9490794 0.0136180 0.0272935 0.0165991 -1.9201226 -0.0002305 0.1061656 0.0548948 -1.8485985 24 O -1.9490794 -0.0136180 0.0272935 -0.0165991 -1.9201226 0.0002305 0.1061656 -0.0548948 -1.8485985 25 Na 1.1665366 0.1135106 -0.0759101 -0.0620032 1.1679182 0.1197478 0.0931749 -0.1047976 1.1738750 26 Na 1.1665366 -0.1135106 -0.0759101 0.0620032 1.1679182 -0.1197478 0.0931749 0.1047976 1.1738750 27 Sr 2.4187211 -0.2609468 0.2125403 -0.2268102 2.4807199 0.1902650 0.1352179 0.1302514 2.6424325 28 Sr 2.4187211 0.2609468 0.2125403 0.2268102 2.4807199 -0.1902650 0.1352179 -0.1302514 2.6424325 29 Sr 2.6501104 -0.1438972 -0.2153564 -0.2228788 2.4591695 -0.1679533 -0.2398158 -0.2588260 2.3858751 30 Sr 2.6501104 0.1438972 -0.2153564 0.2228788 2.4591695 0.1679533 -0.2398158 0.2588260 2.3858751 31 Sr 2.4187211 -0.2609468 0.2125403 -0.2268102 2.4807199 0.1902650 0.1352179 0.1302514 2.6424325 32 Sr 2.4187211 0.2609468 0.2125403 0.2268102 2.4807199 -0.1902650 0.1352179 -0.1302514 2.6424325 33 Sr 2.6501104 0.1438972 -0.2153564 0.2228788 2.4591695 0.1679533 -0.2398158 0.2588260 2.3858751 34 Sr 2.6501104 -0.1438972 -0.2153564 -0.2228788 2.4591695 -0.1679533 -0.2398158 -0.2588260 2.3858751 35 Sb 5.3811596 0.2529293 0.4009387 -0.3587345 5.3535053 0.3493859 0.0401034 -0.0113048 3.2715250 36 Sb 5.3811596 -0.2529293 0.4009387 0.3587345 5.3535053 -0.3493859 0.0401034 0.0113048 3.2715250 37 Sb 5.3543797 -0.5246706 -0.2559147 -0.0868329 3.3355473 0.0783470 0.2938727 0.4437094 5.4247156 38 Sb 5.3543797 0.5246706 -0.2559147 0.0868329 3.3355473 -0.0783470 0.2938727 -0.4437094 5.4247156 39 Sb 3.3667422 -0.0533488 -0.0151253 -0.4533398 5.3944835 0.1382830 -0.3500925 -0.3547114 5.3404581 40 Sb 3.3667422 0.0533488 -0.0151253 0.4533398 5.3944835 -0.1382830 -0.3500925 0.3547114 5.3404581 ---------------------------------------------------------------------------- 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] Computing fc3[ 33, 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] Computing fc3[ 57, 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] Computing fc3[ 69, 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] Computing fc3[ 77, 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] [-0.0070 0.0000 0.0071] [ 0.0070 0.0000 -0.0071] 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: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:19:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:19:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.127629100006782 0.000000000000000 0.000000000000000 b 0.000000000000000 8.104195259999999 0.000000000000000 c -8.038889423902733 0.000000000000000 8.130644854648652 Atomic positions (fractional): 1 O 0.71089362225877 0.53832049139576 0.96056952922300 15.999 2 O 0.28910637774123 0.03832049139576 0.53943047077700 15.999 3 O 0.28910637774123 0.46167950860424 0.03943047077700 15.999 4 O 0.71089362225877 0.96167950860424 0.46056952922300 15.999 5 O 0.01821356175190 0.74987577241738 0.47027834868278 15.999 6 O 0.98178643824810 0.24987577241738 0.02972165131722 15.999 7 O 0.98178643824810 0.25012422758262 0.52972165131722 15.999 8 O 0.01821356175190 0.75012422758262 0.97027834868278 15.999 9 O 0.21309698737354 0.54099275795452 0.75043570447453 15.999 10 O 0.78690301262646 0.04099275795452 0.74956429552547 15.999 11 O 0.78690301262646 0.45900724204548 0.24956429552547 15.999 12 O 0.21309698737354 0.95900724204548 0.25043570447453 15.999 13 O 0.51829720508323 0.77065095224070 0.54357193111511 15.999 14 O 0.48170279491677 0.27065095224070 0.95642806888489 15.999 15 O 0.48170279491677 0.22934904775930 0.45642806888489 15.999 16 O 0.51829720508323 0.72934904775930 0.04357193111511 15.999 17 O 0.26359208031351 0.03908955943867 0.03540259350587 15.999 18 O 0.73640791968649 0.53908955943867 0.46459740649413 15.999 19 O 0.73640791968649 0.96091044056133 0.96459740649413 15.999 20 O 0.26359208031351 0.46091044056133 0.53540259350587 15.999 21 O 0.80648400811345 0.03686356337302 0.27095222383475 15.999 22 O 0.19351599188655 0.53686356337302 0.22904777616525 15.999 23 O 0.19351599188655 0.96313643662698 0.72904777616525 15.999 24 O 0.80648400811345 0.46313643662698 0.77095222383475 15.999 25 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 26 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 27 Sr 0.53211929667880 0.25487354739335 0.76340039431134 87.620 28 Sr 0.46788070332120 0.75487354739335 0.73659960568866 87.620 29 Sr 0.95601637998986 0.74542505303143 0.72233909899586 87.620 30 Sr 0.04398362001014 0.24542505303143 0.77766090100414 87.620 31 Sr 0.46788070332120 0.74512645260665 0.23659960568866 87.620 32 Sr 0.53211929667880 0.24512645260665 0.26340039431134 87.620 33 Sr 0.95601637998986 0.75457494696857 0.22233909899586 87.620 34 Sr 0.04398362001014 0.25457494696857 0.27766090100414 87.620 35 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 36 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 37 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 38 Sb 0.50000000000000 0.50000000000000 0.00000000000000 121.760 39 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 40 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.127629100006782 0.000000000000000 0.000000000000000 b 0.000000000000000 16.208390519999998 0.000000000000000 c -8.038889423902733 0.000000000000000 8.130644854648652 Atomic positions (fractional): 1 O 0.71089362225877 0.26916024569788 0.96056952922300 15.999 > 1 2 O 0.71089362225877 0.76916024569788 0.96056952922300 15.999 > 1 3 O 0.28910637774123 0.01916024569788 0.53943047077700 15.999 > 3 4 O 0.28910637774123 0.51916024569788 0.53943047077700 15.999 > 3 5 O 0.28910637774123 0.23083975430212 0.03943047077700 15.999 > 5 6 O 0.28910637774123 0.73083975430212 0.03943047077700 15.999 > 5 7 O 0.71089362225877 0.48083975430212 0.46056952922300 15.999 > 7 8 O 0.71089362225877 0.98083975430212 0.46056952922300 15.999 > 7 9 O 0.01821356175190 0.37493788620869 0.47027834868278 15.999 > 9 10 O 0.01821356175190 0.87493788620869 0.47027834868278 15.999 > 9 11 O 0.98178643824810 0.12493788620869 0.02972165131722 15.999 > 11 12 O 0.98178643824810 0.62493788620869 0.02972165131722 15.999 > 11 13 O 0.98178643824810 0.12506211379131 0.52972165131722 15.999 > 13 14 O 0.98178643824810 0.62506211379131 0.52972165131722 15.999 > 13 15 O 0.01821356175190 0.37506211379131 0.97027834868278 15.999 > 15 16 O 0.01821356175190 0.87506211379131 0.97027834868278 15.999 > 15 17 O 0.21309698737354 0.27049637897726 0.75043570447453 15.999 > 17 18 O 0.21309698737354 0.77049637897726 0.75043570447453 15.999 > 17 19 O 0.78690301262646 0.02049637897726 0.74956429552547 15.999 > 19 20 O 0.78690301262646 0.52049637897726 0.74956429552547 15.999 > 19 21 O 0.78690301262646 0.22950362102274 0.24956429552547 15.999 > 21 22 O 0.78690301262646 0.72950362102274 0.24956429552547 15.999 > 21 23 O 0.21309698737354 0.47950362102274 0.25043570447453 15.999 > 23 24 O 0.21309698737354 0.97950362102274 0.25043570447453 15.999 > 23 25 O 0.51829720508323 0.38532547612035 0.54357193111511 15.999 > 25 26 O 0.51829720508323 0.88532547612035 0.54357193111511 15.999 > 25 27 O 0.48170279491677 0.13532547612035 0.95642806888489 15.999 > 27 28 O 0.48170279491677 0.63532547612035 0.95642806888489 15.999 > 27 29 O 0.48170279491677 0.11467452387965 0.45642806888489 15.999 > 29 30 O 0.48170279491677 0.61467452387965 0.45642806888489 15.999 > 29 31 O 0.51829720508323 0.36467452387965 0.04357193111511 15.999 > 31 32 O 0.51829720508323 0.86467452387965 0.04357193111511 15.999 > 31 33 O 0.26359208031351 0.01954477971934 0.03540259350587 15.999 > 33 34 O 0.26359208031351 0.51954477971934 0.03540259350587 15.999 > 33 35 O 0.73640791968649 0.26954477971934 0.46459740649413 15.999 > 35 36 O 0.73640791968649 0.76954477971934 0.46459740649413 15.999 > 35 37 O 0.73640791968649 0.48045522028066 0.96459740649413 15.999 > 37 38 O 0.73640791968649 0.98045522028066 0.96459740649413 15.999 > 37 39 O 0.26359208031351 0.23045522028066 0.53540259350587 15.999 > 39 40 O 0.26359208031351 0.73045522028066 0.53540259350587 15.999 > 39 41 O 0.80648400811345 0.01843178168651 0.27095222383475 15.999 > 41 42 O 0.80648400811345 0.51843178168651 0.27095222383475 15.999 > 41 43 O 0.19351599188655 0.26843178168651 0.22904777616525 15.999 > 43 44 O 0.19351599188655 0.76843178168651 0.22904777616525 15.999 > 43 45 O 0.19351599188655 0.48156821831349 0.72904777616525 15.999 > 45 46 O 0.19351599188655 0.98156821831349 0.72904777616525 15.999 > 45 47 O 0.80648400811345 0.23156821831349 0.77095222383475 15.999 > 47 48 O 0.80648400811345 0.73156821831349 0.77095222383475 15.999 > 47 49 Na 0.50000000000000 0.25000000000000 0.50000000000000 22.990 > 49 50 Na 0.50000000000000 0.75000000000000 0.50000000000000 22.990 > 49 51 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 51 52 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 51 53 Sr 0.53211929667880 0.12743677369667 0.76340039431134 87.620 > 53 54 Sr 0.53211929667880 0.62743677369667 0.76340039431134 87.620 > 53 55 Sr 0.46788070332120 0.37743677369667 0.73659960568866 87.620 > 55 56 Sr 0.46788070332120 0.87743677369667 0.73659960568866 87.620 > 55 57 Sr 0.95601637998986 0.37271252651571 0.72233909899586 87.620 > 57 58 Sr 0.95601637998986 0.87271252651571 0.72233909899586 87.620 > 57 59 Sr 0.04398362001014 0.12271252651571 0.77766090100414 87.620 > 59 60 Sr 0.04398362001014 0.62271252651571 0.77766090100414 87.620 > 59 61 Sr 0.46788070332120 0.37256322630333 0.23659960568866 87.620 > 61 62 Sr 0.46788070332120 0.87256322630333 0.23659960568866 87.620 > 61 63 Sr 0.53211929667880 0.12256322630333 0.26340039431134 87.620 > 63 64 Sr 0.53211929667880 0.62256322630333 0.26340039431134 87.620 > 63 65 Sr 0.95601637998986 0.37728747348429 0.22233909899586 87.620 > 65 66 Sr 0.95601637998986 0.87728747348429 0.22233909899586 87.620 > 65 67 Sr 0.04398362001014 0.12728747348429 0.27766090100414 87.620 > 67 68 Sr 0.04398362001014 0.62728747348429 0.27766090100414 87.620 > 67 69 Sb 0.00000000000000 0.00000000000000 0.50000000000000 121.760 > 69 70 Sb 0.00000000000000 0.50000000000000 0.50000000000000 121.760 > 69 71 Sb 0.00000000000000 0.25000000000000 0.00000000000000 121.760 > 71 72 Sb 0.00000000000000 0.75000000000000 0.00000000000000 121.760 > 71 73 Sb 0.50000000000000 0.00000000000000 0.50000000000000 121.760 > 73 74 Sb 0.50000000000000 0.50000000000000 0.50000000000000 121.760 > 73 75 Sb 0.50000000000000 0.25000000000000 0.00000000000000 121.760 > 75 76 Sb 0.50000000000000 0.75000000000000 0.00000000000000 121.760 > 75 77 Sb 0.00000000000000 0.00000000000000 0.00000000000000 121.760 > 77 78 Sb 0.00000000000000 0.50000000000000 0.00000000000000 121.760 > 77 79 Sb 0.00000000000000 0.25000000000000 0.50000000000000 121.760 > 79 80 Sb 0.00000000000000 0.75000000000000 0.50000000000000 121.760 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.1029664 0.0000000 0.0010909 0.0000000 4.0810124 0.0000000 0.0010896 0.0000000 4.1073454 -------------------------- Born effective charges -------------------------- 1 O -3.6348288 -0.0182117 -0.0436476 0.0098047 -1.6269608 0.0724974 -0.0747485 0.0449676 -1.6136979 2 O -3.6348288 0.0182117 -0.0436476 -0.0098047 -1.6269608 -0.0724974 -0.0747485 -0.0449676 -1.6136979 3 O -3.6348288 -0.0182117 -0.0436476 0.0098047 -1.6269608 0.0724974 -0.0747485 0.0449676 -1.6136979 4 O -3.6348288 0.0182117 -0.0436476 -0.0098047 -1.6269608 -0.0724974 -0.0747485 -0.0449676 -1.6136979 5 O -1.5584020 -0.0520844 0.0781510 -0.0684978 -3.6138878 -0.0633807 0.0993492 -0.0366078 -1.6908944 6 O -1.5584020 0.0520844 0.0781510 0.0684978 -3.6138878 0.0633807 0.0993492 0.0366078 -1.6908944 7 O -1.5584020 -0.0520844 0.0781510 -0.0684978 -3.6138878 -0.0633807 0.0993492 -0.0366078 -1.6908944 8 O -1.5584020 0.0520844 0.0781510 0.0684978 -3.6138878 0.0633807 0.0993492 0.0366078 -1.6908944 9 O -1.6364085 0.0055637 -0.0285427 0.0411919 -1.6098750 0.0980771 0.0002190 0.1371081 -3.6288171 10 O -1.6364085 -0.0055637 -0.0285427 -0.0411919 -1.6098750 -0.0980771 0.0002190 -0.1371081 -3.6288171 11 O -1.6364085 0.0055637 -0.0285427 0.0411919 -1.6098750 0.0980771 0.0002190 0.1371081 -3.6288171 12 O -1.6364085 -0.0055637 -0.0285427 -0.0411919 -1.6098750 -0.0980771 0.0002190 -0.1371081 -3.6288171 13 O -2.0308693 0.0082975 0.0938282 -0.0278913 -1.8594353 0.1851390 0.0330445 0.0865633 -1.8795074 14 O -2.0308693 -0.0082975 0.0938282 0.0278913 -1.8594353 -0.1851390 0.0330445 -0.0865633 -1.8795074 15 O -2.0308693 0.0082975 0.0938282 -0.0278913 -1.8594353 0.1851390 0.0330445 0.0865633 -1.8795074 16 O -2.0308693 -0.0082975 0.0938282 0.0278913 -1.8594353 -0.1851390 0.0330445 -0.0865633 -1.8795074 17 O -1.8936526 -0.2132708 -0.1512606 -0.1301262 -1.9353350 0.0082237 -0.0979611 -0.0014713 -1.9720790 18 O -1.8936526 0.2132708 -0.1512606 0.1301262 -1.9353350 -0.0082237 -0.0979611 0.0014713 -1.9720790 19 O -1.8936526 -0.2132708 -0.1512606 -0.1301262 -1.9353350 0.0082237 -0.0979611 -0.0014713 -1.9720790 20 O -1.8936526 0.2132708 -0.1512606 0.1301262 -1.9353350 -0.0082237 -0.0979611 0.0014713 -1.9720790 21 O -1.9490794 0.0136180 0.0272935 0.0165991 -1.9201226 -0.0002305 0.1061656 0.0548948 -1.8485985 22 O -1.9490794 -0.0136180 0.0272935 -0.0165991 -1.9201226 0.0002305 0.1061656 -0.0548948 -1.8485985 23 O -1.9490794 0.0136180 0.0272935 0.0165991 -1.9201226 -0.0002305 0.1061656 0.0548948 -1.8485985 24 O -1.9490794 -0.0136180 0.0272935 -0.0165991 -1.9201226 0.0002305 0.1061656 -0.0548948 -1.8485985 25 Na 1.1665366 0.1135106 -0.0759101 -0.0620032 1.1679182 0.1197478 0.0931749 -0.1047976 1.1738750 26 Na 1.1665366 -0.1135106 -0.0759101 0.0620032 1.1679182 -0.1197478 0.0931749 0.1047976 1.1738750 27 Sr 2.4187211 -0.2609468 0.2125403 -0.2268102 2.4807199 0.1902650 0.1352179 0.1302514 2.6424325 28 Sr 2.4187211 0.2609468 0.2125403 0.2268102 2.4807199 -0.1902650 0.1352179 -0.1302514 2.6424325 29 Sr 2.6501104 -0.1438972 -0.2153564 -0.2228788 2.4591695 -0.1679533 -0.2398158 -0.2588260 2.3858751 30 Sr 2.6501104 0.1438972 -0.2153564 0.2228788 2.4591695 0.1679533 -0.2398158 0.2588260 2.3858751 31 Sr 2.4187211 -0.2609468 0.2125403 -0.2268102 2.4807199 0.1902650 0.1352179 0.1302514 2.6424325 32 Sr 2.4187211 0.2609468 0.2125403 0.2268102 2.4807199 -0.1902650 0.1352179 -0.1302514 2.6424325 33 Sr 2.6501104 0.1438972 -0.2153564 0.2228788 2.4591695 0.1679533 -0.2398158 0.2588260 2.3858751 34 Sr 2.6501104 -0.1438972 -0.2153564 -0.2228788 2.4591695 -0.1679533 -0.2398158 -0.2588260 2.3858751 35 Sb 5.3811596 0.2529293 0.4009387 -0.3587345 5.3535053 0.3493859 0.0401034 -0.0113048 3.2715250 36 Sb 5.3811596 -0.2529293 0.4009387 0.3587345 5.3535053 -0.3493859 0.0401034 0.0113048 3.2715250 37 Sb 5.3543797 -0.5246706 -0.2559147 -0.0868329 3.3355473 0.0783470 0.2938727 0.4437094 5.4247156 38 Sb 5.3543797 0.5246706 -0.2559147 0.0868329 3.3355473 -0.0783470 0.2938727 -0.4437094 5.4247156 39 Sb 3.3667422 -0.0533488 -0.0151253 -0.4533398 5.3944835 0.1382830 -0.3500925 -0.3547114 5.3404581 40 Sb 3.3667422 0.0533488 -0.0151253 0.4533398 5.3944835 -0.1382830 -0.3500925 0.3547114 5.3404581 ---------------------------------------------------------------------------- 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 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 6 ] 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: 0.51, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/112) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.418 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.422 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.734 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.201 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.329 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.652 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.496 ( 0.000 0.000 0.000) 0.000 4.517 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 4.938 ( 0.000 0.000 0.000) 0.000 5.107 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.395 ( 0.000 0.000 0.000) 0.000 5.613 ( 0.000 0.000 0.000) 0.000 5.756 ( 0.000 0.000 0.000) 0.000 6.092 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.199 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.660 ( 0.000 0.000 0.000) 0.000 6.769 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.828 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.050 ( 0.000 0.000 0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.198 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.509 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.810 ( 0.000 0.000 0.000) 0.000 7.895 ( 0.000 0.000 0.000) 0.000 7.995 ( 0.000 0.000 0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.225 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.350 ( 0.000 0.000 0.000) 0.000 9.451 ( 0.000 0.000 0.000) 0.000 9.683 ( 0.000 0.000 0.000) 0.000 9.765 ( 0.000 0.000 0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 9.947 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 10.796 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 0.000) 0.000 11.158 ( 0.000 0.000 0.000) 0.000 11.171 ( 0.000 0.000 0.000) 0.000 11.202 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 11.699 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.988 ( 0.000 0.000 0.000) 0.000 12.417 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.961 ( 0.000 0.000 0.000) 0.000 13.050 ( 0.000 0.000 0.000) 0.000 13.220 ( 0.000 0.000 0.000) 0.000 13.466 ( 0.000 0.000 0.000) 0.000 14.611 ( 0.000 0.000 0.000) 0.000 16.106 ( 0.000 0.000 0.000) 0.000 16.145 ( 0.000 0.000 0.000) 0.000 16.183 ( 0.000 0.000 0.000) 0.000 16.292 ( 0.000 0.000 0.000) 0.000 16.371 ( 0.000 0.000 0.000) 0.000 16.393 ( 0.000 0.000 0.000) 0.000 16.486 ( 0.000 0.000 0.000) 0.000 16.553 ( 0.000 0.000 0.000) 0.000 17.236 ( 0.000 0.000 0.000) 0.000 17.338 ( 0.000 0.000 0.000) 0.000 19.303 ( 0.000 0.000 0.000) 0.000 21.382 ( 0.000 0.000 0.000) 0.000 21.433 ( 0.000 0.000 0.000) 0.000 21.483 ( 0.000 0.000 0.000) 0.000 21.500 ( 0.000 0.000 0.000) 0.000 21.827 ( 0.000 0.000 0.000) 0.000 21.840 ( 0.000 0.000 0.000) 0.000 22.255 ( 0.000 0.000 0.000) 0.000 22.377 ( 0.000 0.000 0.000) 0.000 22.406 ( 0.000 0.000 0.000) 0.000 22.441 ( 0.000 0.000 0.000) 0.000 22.601 ( 0.000 0.000 0.000) 0.000 22.650 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/112) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 13.546 0.000 20.086) 24.227 0.608 ( 20.824 0.000 22.256) 30.479 0.953 ( 34.107 0.000 31.371) 46.340 1.386 ( -4.204 0.000 -0.489) 4.232 2.118 ( -5.459 0.000 -11.064) 12.337 2.446 ( 5.743 0.000 -4.032) 7.017 2.580 ( -1.917 0.000 -12.268) 12.417 2.611 ( -7.393 0.000 -8.878) 11.553 2.660 ( 1.095 0.000 -0.793) 1.352 2.689 ( -4.802 0.000 1.343) 4.986 2.885 ( 1.915 0.000 10.312) 10.488 2.971 ( -5.564 0.000 2.515) 6.106 3.081 ( -2.359 0.000 -21.354) 21.483 3.105 ( -4.971 0.000 -6.223) 7.965 3.194 ( -6.579 0.000 -0.736) 6.620 3.244 ( -1.762 0.000 -8.522) 8.702 3.347 ( -3.456 0.000 -1.798) 3.896 3.426 ( -9.420 0.000 -7.063) 11.774 3.531 ( -10.216 0.000 6.261) 11.982 3.608 ( -2.005 0.000 -4.022) 4.494 3.676 ( 0.346 0.000 -0.497) 0.606 3.736 ( 4.290 0.000 0.250) 4.297 3.739 ( -1.680 0.000 1.800) 2.462 3.909 ( 4.530 0.000 -1.575) 4.796 3.980 ( -2.599 0.000 -5.834) 6.387 4.122 ( 0.206 0.000 11.778) 11.780 4.271 ( 9.857 0.000 8.785) 13.203 4.331 ( -4.567 0.000 -3.327) 5.650 4.429 ( -5.003 0.000 -11.545) 12.582 4.459 ( 0.348 0.000 11.862) 11.868 4.527 ( 4.333 0.000 1.815) 4.697 4.528 ( 2.142 0.000 1.645) 2.701 4.705 ( 7.150 0.000 -3.830) 8.111 4.736 ( 8.980 0.000 8.054) 12.062 4.746 ( 8.519 0.000 8.482) 12.022 4.968 ( 7.856 0.000 4.382) 8.995 4.993 ( 8.829 0.000 -9.026) 12.626 5.094 ( -2.975 0.000 0.711) 3.059 5.310 ( -4.500 0.000 8.332) 9.469 5.383 ( -2.058 0.000 0.979) 2.279 5.679 ( 5.157 0.000 1.946) 5.512 5.744 ( -1.761 0.000 0.469) 1.823 6.107 ( 4.052 0.000 -2.266) 4.643 6.173 ( -1.331 0.000 0.759) 1.532 6.187 ( -2.026 0.000 -0.224) 2.039 6.221 ( -4.044 0.000 -2.780) 4.907 6.592 ( -7.546 0.000 6.474) 9.942 6.654 ( -0.561 0.000 -4.150) 4.187 6.715 ( 2.510 0.000 -10.069) 10.377 6.719 ( -8.779 0.000 2.479) 9.123 6.850 ( 0.751 0.000 -5.382) 5.434 6.910 ( -1.181 0.000 2.787) 3.027 7.022 ( -4.387 0.000 12.428) 13.179 7.139 ( -4.071 0.000 8.717) 9.620 7.209 ( 7.041 0.000 7.327) 10.161 7.253 ( 8.933 0.000 7.114) 11.419 7.399 ( -2.780 0.000 3.947) 4.828 7.502 ( -14.712 0.000 -2.449) 14.914 7.503 ( 2.630 0.000 -0.674) 2.715 7.619 ( 1.564 0.000 6.632) 6.814 7.847 ( 2.634 0.000 3.137) 4.097 7.931 ( -8.539 0.000 2.528) 8.905 7.950 ( 11.285 0.000 -0.898) 11.321 8.136 ( 0.284 0.000 9.241) 9.245 8.143 ( 11.256 0.000 -1.278) 11.329 8.504 ( 8.164 0.000 -0.711) 8.195 8.559 ( -2.168 0.000 -0.854) 2.331 8.731 ( 5.297 0.000 -3.846) 6.546 8.910 ( -3.871 0.000 -4.231) 5.735 9.184 ( 0.572 0.000 -11.425) 11.439 9.346 ( 1.493 0.000 1.562) 2.161 9.356 ( 3.312 0.000 -4.686) 5.738 9.436 ( -1.755 0.000 -0.109) 1.758 9.662 ( -4.108 0.000 3.553) 5.432 9.730 ( -0.189 0.000 -0.566) 0.597 9.859 ( -3.484 0.000 0.639) 3.542 9.912 ( -2.178 0.000 -2.635) 3.419 10.049 ( 5.687 0.000 -1.130) 5.798 10.330 ( 2.135 0.000 -11.061) 11.265 10.433 ( 0.233 0.000 4.960) 4.965 10.827 ( -0.346 0.000 4.258) 4.272 10.970 ( -0.153 0.000 -0.388) 0.417 11.068 ( -6.438 0.000 -4.479) 7.843 11.141 ( -3.290 0.000 -5.096) 6.066 11.211 ( 1.916 0.000 2.837) 3.423 11.257 ( 7.501 0.000 -8.212) 11.123 11.558 ( -4.226 0.000 -1.643) 4.534 11.690 ( -0.429 0.000 -1.008) 1.095 11.960 ( -1.128 0.000 -2.406) 2.657 12.093 ( -3.560 0.000 2.755) 4.502 12.463 ( 2.413 0.000 3.924) 4.606 12.748 ( 5.701 0.000 1.790) 5.975 12.947 ( -1.461 0.000 -0.624) 1.588 13.064 ( 0.456 0.000 1.648) 1.710 13.391 ( -3.006 0.000 -1.211) 3.240 13.440 ( -0.450 0.000 -3.352) 3.382 14.672 ( 4.585 0.000 3.923) 6.034 15.814 ( -13.222 0.000 -18.702) 22.904 16.163 ( 1.147 0.000 1.447) 1.846 16.341 ( -5.824 0.000 3.514) 6.802 16.350 ( -3.743 0.000 2.588) 4.550 16.457 ( -1.968 0.000 2.669) 3.316 16.533 ( -3.632 0.000 2.267) 4.282 16.694 ( 17.282 0.000 9.456) 19.700 17.081 ( -10.029 0.000 -9.105) 13.546 17.381 ( 3.250 0.000 3.174) 4.543 17.965 ( 11.084 0.000 2.366) 11.334 19.202 ( -7.187 0.000 -7.325) 10.262 21.415 ( 1.994 0.000 2.628) 3.299 21.439 ( 1.253 0.000 -0.457) 1.333 21.487 ( -0.281 0.000 0.901) 0.944 21.516 ( 1.800 0.000 0.374) 1.838 21.792 ( -2.799 0.000 -2.526) 3.771 21.819 ( -0.448 0.000 -0.698) 0.829 22.330 ( 1.444 0.000 -5.450) 5.638 22.391 ( -1.124 0.000 -2.691) 2.916 22.512 ( 4.725 0.000 2.985) 5.589 22.624 ( 1.323 0.000 4.624) 4.809 22.648 ( -0.989 0.000 0.870) 1.317 23.025 ( -2.188 0.000 2.054) 3.001 ======================= Grid point 2 (3/112) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( 7.837 0.000 15.576) 17.437 1.137 ( 18.669 0.000 12.530) 22.484 1.279 ( -4.388 0.000 -6.088) 7.505 1.607 ( 9.799 0.000 7.707) 12.467 1.848 ( -8.228 0.000 -9.906) 12.877 2.300 ( -3.988 0.000 -18.879) 19.296 2.386 ( -1.289 0.000 -11.670) 11.741 2.443 ( -0.774 0.000 0.548) 0.949 2.633 ( -4.405 0.000 0.708) 4.462 2.659 ( 1.319 0.000 -2.688) 2.994 2.799 ( -4.797 0.000 -6.851) 8.364 2.824 ( -12.370 0.000 0.218) 12.372 2.995 ( 0.939 0.000 0.141) 0.950 3.015 ( -1.602 0.000 -5.831) 6.047 3.079 ( -5.043 0.000 5.082) 7.159 3.134 ( 1.126 0.000 -5.076) 5.199 3.274 ( -7.338 0.000 2.162) 7.650 3.359 ( -3.526 0.000 0.154) 3.529 3.490 ( -3.222 0.000 -7.038) 7.740 3.515 ( 0.204 0.000 4.853) 4.857 3.670 ( 2.658 0.000 -3.909) 4.728 3.751 ( -5.973 0.000 -4.507) 7.482 3.779 ( 0.723 0.000 0.536) 0.900 3.910 ( 2.766 0.000 4.629) 5.392 3.985 ( 3.706 0.000 3.089) 4.825 4.101 ( -10.680 0.000 -15.042) 18.448 4.181 ( -4.376 0.000 -1.961) 4.795 4.348 ( 1.875 0.000 10.513) 10.679 4.470 ( 4.255 0.000 5.097) 6.639 4.583 ( 3.107 0.000 4.442) 5.421 4.624 ( 4.368 0.000 1.804) 4.726 4.647 ( 2.052 0.000 10.030) 10.237 4.745 ( 8.467 0.000 -5.688) 10.200 4.826 ( -0.412 0.000 5.357) 5.373 4.935 ( 4.703 0.000 -3.532) 5.881 5.040 ( 8.918 0.000 5.074) 10.260 5.160 ( 6.802 0.000 5.574) 8.794 5.170 ( 10.323 0.000 -6.080) 11.981 5.410 ( -0.695 0.000 11.854) 11.874 5.429 ( 7.511 0.000 4.023) 8.521 5.741 ( -1.510 0.000 3.629) 3.930 5.771 ( 7.008 0.000 -1.088) 7.092 6.069 ( -4.483 0.000 -5.621) 7.189 6.127 ( 3.754 0.000 -3.196) 4.930 6.169 ( 0.598 0.000 -0.194) 0.628 6.201 ( -1.735 0.000 1.964) 2.620 6.483 ( 0.745 0.000 -18.266) 18.281 6.494 ( -5.988 0.000 -8.859) 10.694 6.637 ( -12.336 0.000 8.525) 14.995 6.670 ( 2.390 0.000 0.628) 2.471 6.895 ( -1.262 0.000 7.631) 7.735 6.947 ( 3.544 0.000 -1.022) 3.688 7.055 ( -5.646 0.000 0.378) 5.658 7.144 ( -12.764 0.000 8.324) 15.238 7.342 ( -8.425 0.000 7.267) 11.126 7.377 ( -3.466 0.000 4.471) 5.657 7.471 ( 7.250 0.000 -0.158) 7.252 7.496 ( 5.031 0.000 13.245) 14.168 7.571 ( 3.016 0.000 10.210) 10.646 7.714 ( -1.736 0.000 7.207) 7.413 7.911 ( 2.974 0.000 2.865) 4.129 7.978 ( 3.376 0.000 10.178) 10.723 8.086 ( 5.854 0.000 5.068) 7.743 8.244 ( 2.396 0.000 1.592) 2.876 8.341 ( 19.683 0.000 -1.445) 19.736 8.536 ( -0.505 0.000 1.126) 1.234 8.560 ( 3.081 0.000 -7.021) 7.667 8.768 ( 5.842 0.000 -1.834) 6.123 8.872 ( 4.579 0.000 2.871) 5.404 9.018 ( -1.950 0.000 -11.647) 11.809 9.262 ( -1.761 0.000 -9.817) 9.974 9.350 ( 0.971 0.000 -3.427) 3.562 9.406 ( -3.695 0.000 1.160) 3.873 9.670 ( -6.629 0.000 -1.808) 6.871 9.684 ( -1.599 0.000 4.431) 4.711 9.815 ( -7.881 0.000 0.319) 7.888 9.839 ( 1.991 0.000 -3.349) 3.896 10.128 ( 7.924 0.000 -1.228) 8.019 10.168 ( -2.576 0.000 -11.622) 11.904 10.491 ( -4.488 0.000 6.338) 7.766 10.842 ( -8.971 0.000 0.738) 9.002 10.924 ( 1.232 0.000 -4.614) 4.776 10.975 ( 2.927 0.000 -2.521) 3.863 10.998 ( -5.881 0.000 -4.365) 7.324 11.230 ( 4.289 0.000 -5.981) 7.360 11.320 ( 3.745 0.000 5.722) 6.838 11.468 ( -5.535 0.000 -0.573) 5.565 11.655 ( -1.890 0.000 -2.045) 2.785 11.907 ( -0.157 0.000 -3.807) 3.810 12.069 ( -4.479 0.000 1.532) 4.734 12.570 ( 3.335 0.000 5.209) 6.185 12.868 ( 6.863 0.000 2.419) 7.277 12.905 ( -2.471 0.000 -1.582) 2.934 13.110 ( 1.227 0.000 3.478) 3.688 13.320 ( -2.857 0.000 -2.780) 3.986 13.371 ( -0.636 0.000 -5.219) 5.257 14.823 ( 6.987 0.000 5.803) 9.083 15.387 ( -13.751 0.000 -16.220) 21.264 16.207 ( 1.246 0.000 2.093) 2.436 16.287 ( -4.665 0.000 -0.290) 4.674 16.325 ( -3.279 0.000 0.884) 3.396 16.461 ( -0.479 0.000 0.790) 0.924 16.509 ( -2.029 0.000 0.079) 2.031 16.798 ( -10.636 0.000 -10.124) 14.684 17.049 ( 13.798 0.000 11.175) 17.756 17.498 ( 4.294 0.000 5.763) 7.187 18.146 ( 8.643 0.000 3.308) 9.255 18.929 ( -12.434 0.000 -12.264) 17.464 21.455 ( 2.502 0.000 -0.831) 2.636 21.500 ( 3.371 0.000 4.082) 5.294 21.501 ( -0.430 0.000 2.034) 2.079 21.544 ( 1.179 0.000 0.047) 1.180 21.739 ( -0.355 0.000 -1.011) 1.072 21.792 ( -1.303 0.000 -1.642) 2.096 22.252 ( -1.667 0.000 -5.546) 5.791 22.308 ( -3.698 0.000 -4.412) 5.757 22.561 ( 0.811 0.000 0.633) 1.029 22.646 ( -0.493 0.000 0.492) 0.696 22.797 ( 7.600 0.000 8.527) 11.422 23.026 ( -1.549 0.000 2.085) 2.597 ======================= Grid point 3 (4/112) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 7.871 0.000 -19.325) 20.866 1.071 ( -2.235 0.000 5.088) 5.558 1.408 ( -14.813 0.000 -15.358) 21.337 1.467 ( 3.651 0.000 7.441) 8.289 1.752 ( -2.989 0.000 5.194) 5.992 2.048 ( -0.262 0.000 -11.446) 11.449 2.197 ( -3.808 0.000 -5.885) 7.009 2.459 ( -2.112 0.000 -2.460) 3.242 2.666 ( 2.748 0.000 1.772) 3.270 2.667 ( -3.541 0.000 1.214) 3.743 2.702 ( -2.281 0.000 -4.508) 5.053 2.712 ( -1.480 0.000 -0.342) 1.519 2.926 ( -4.615 0.000 -1.197) 4.768 3.005 ( 3.212 0.000 -4.206) 5.292 3.094 ( -4.494 0.000 5.169) 6.849 3.100 ( 2.361 0.000 -4.685) 5.246 3.208 ( -8.708 0.000 3.801) 9.502 3.278 ( -4.874 0.000 -1.428) 5.079 3.357 ( -3.043 0.000 -5.747) 6.503 3.483 ( -8.889 0.000 -5.919) 10.680 3.563 ( -2.132 0.000 -9.953) 10.179 3.649 ( 2.422 0.000 -2.683) 3.614 3.825 ( 2.943 0.000 3.693) 4.722 3.948 ( 5.561 0.000 2.662) 6.166 4.047 ( 1.655 0.000 10.318) 10.450 4.109 ( -1.134 0.000 -2.485) 2.731 4.116 ( 5.882 0.000 4.837) 7.615 4.491 ( 0.637 0.000 6.933) 6.962 4.553 ( 1.215 0.000 4.708) 4.862 4.668 ( -0.297 0.000 0.345) 0.456 4.711 ( 2.286 0.000 -0.784) 2.417 4.728 ( 1.701 0.000 7.196) 7.395 4.858 ( 4.737 0.000 5.325) 7.127 4.878 ( 0.982 0.000 -6.991) 7.059 4.936 ( 4.601 0.000 6.659) 8.094 5.125 ( 9.437 0.000 -13.305) 16.312 5.256 ( 9.215 0.000 6.156) 11.082 5.391 ( 8.002 0.000 10.394) 13.117 5.557 ( 1.532 0.000 0.949) 1.802 5.586 ( 1.247 0.000 11.061) 11.131 5.838 ( 9.513 0.000 -4.755) 10.635 5.845 ( 6.866 0.000 5.151) 8.584 5.956 ( -5.027 0.000 -1.308) 5.194 6.079 ( -3.437 0.000 -9.986) 10.561 6.160 ( 5.998 0.000 -6.535) 8.871 6.183 ( -6.547 0.000 1.657) 6.753 6.275 ( -3.537 0.000 -10.631) 11.204 6.317 ( 1.570 0.000 -2.719) 3.140 6.602 ( -11.101 0.000 9.042) 14.318 6.718 ( 0.852 0.000 -1.400) 1.639 6.862 ( -10.526 0.000 -2.807) 10.894 6.901 ( -3.556 0.000 -0.271) 3.566 7.035 ( 4.595 0.000 -1.056) 4.715 7.135 ( -6.447 0.000 13.585) 15.037 7.314 ( -6.623 0.000 2.129) 6.957 7.420 ( -0.154 0.000 6.094) 6.096 7.473 ( 1.530 0.000 -3.696) 4.000 7.702 ( 3.100 0.000 -1.646) 3.510 7.778 ( 3.866 0.000 17.092) 17.523 7.817 ( -2.608 0.000 12.809) 13.072 8.102 ( 7.179 0.000 11.554) 13.602 8.196 ( 3.244 0.000 13.869) 14.244 8.235 ( 3.191 0.000 -2.954) 4.348 8.254 ( 0.691 0.000 8.162) 8.191 8.422 ( -2.666 0.000 -9.486) 9.853 8.562 ( -0.879 0.000 2.714) 2.853 8.589 ( 17.559 0.000 -1.525) 17.626 8.819 ( -1.205 0.000 -6.544) 6.654 8.831 ( 4.886 0.000 -9.529) 10.709 9.070 ( 11.402 0.000 3.432) 11.907 9.093 ( -1.554 0.000 -8.281) 8.426 9.266 ( -1.237 0.000 -8.550) 8.639 9.428 ( 3.042 0.000 6.033) 6.756 9.510 ( -10.656 0.000 -2.746) 11.004 9.679 ( -6.267 0.000 -4.660) 7.810 9.705 ( -0.806 0.000 -0.698) 1.066 9.855 ( 1.383 0.000 0.988) 1.700 9.984 ( -3.617 0.000 -7.234) 8.088 10.225 ( 9.521 0.000 -2.480) 9.839 10.458 ( -11.389 0.000 5.051) 12.459 10.669 ( -6.505 0.000 -5.935) 8.806 10.811 ( -6.606 0.000 -7.173) 9.752 10.924 ( -1.395 0.000 1.055) 1.749 11.066 ( 6.247 0.000 3.649) 7.234 11.207 ( 3.448 0.000 -4.616) 5.762 11.409 ( -5.023 0.000 3.423) 6.079 11.469 ( 5.561 0.000 5.142) 7.574 11.579 ( -4.062 0.000 -3.201) 5.172 11.859 ( 2.157 0.000 -4.996) 5.442 12.010 ( -5.828 0.000 0.348) 5.838 12.675 ( 2.192 0.000 4.114) 4.662 12.843 ( -2.050 0.000 -2.531) 3.257 12.984 ( 4.950 0.000 2.332) 5.472 13.184 ( 1.136 0.000 4.488) 4.630 13.250 ( -1.796 0.000 -2.554) 3.123 13.295 ( -0.103 0.000 -4.838) 4.839 14.994 ( 6.331 0.000 5.019) 8.079 15.024 ( -10.823 0.000 -11.686) 15.928 16.193 ( -4.049 0.000 -1.466) 4.306 16.269 ( 1.198 0.000 1.533) 1.945 16.287 ( -2.926 0.000 0.037) 2.926 16.465 ( -0.086 0.000 0.268) 0.282 16.484 ( -1.410 0.000 -0.161) 1.419 16.549 ( -7.453 0.000 -7.556) 10.613 17.373 ( 12.129 0.000 10.655) 16.144 17.633 ( 3.566 0.000 5.422) 6.489 18.278 ( 5.539 0.000 1.728) 5.802 18.562 ( -14.360 0.000 -13.602) 19.780 21.488 ( 3.501 0.000 -0.232) 3.508 21.528 ( -0.158 0.000 2.354) 2.359 21.537 ( 0.640 0.000 -1.931) 2.034 21.611 ( 1.732 0.000 6.139) 6.378 21.738 ( -2.591 0.000 -2.372) 3.513 21.754 ( 2.779 0.000 -0.328) 2.798 22.147 ( -2.760 0.000 -4.863) 5.592 22.187 ( -4.501 0.000 -4.398) 6.293 22.578 ( 0.329 0.000 0.757) 0.825 22.647 ( -0.263 0.000 0.396) 0.475 23.003 ( 6.691 0.000 6.259) 9.163 23.039 ( -0.617 0.000 1.760) 1.865 ======================= Grid point 4 (5/112) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -5.460 0.000 -6.984) 8.864 1.033 ( 9.508 0.000 -5.807) 11.141 1.097 ( -6.818 0.000 -3.529) 7.677 1.551 ( -0.722 0.000 4.576) 4.633 1.736 ( -3.448 0.000 -0.285) 3.459 1.987 ( 2.061 0.000 -2.140) 2.971 2.154 ( -1.072 0.000 0.279) 1.108 2.423 ( -0.428 0.000 0.597) 0.735 2.589 ( -4.484 0.000 -0.086) 4.485 2.614 ( -0.089 0.000 -3.148) 3.149 2.693 ( 4.456 0.000 -4.630) 6.426 2.774 ( 4.116 0.000 3.792) 5.597 2.792 ( -9.500 0.000 -1.714) 9.653 2.939 ( -2.149 0.000 -3.888) 4.443 3.034 ( -0.085 0.000 -4.335) 4.336 3.125 ( -0.040 0.000 4.780) 4.781 3.143 ( -4.679 0.000 1.544) 4.927 3.214 ( -1.404 0.000 -2.661) 3.009 3.279 ( -0.616 0.000 -1.738) 1.844 3.283 ( -6.382 0.000 -5.008) 8.113 3.496 ( 1.058 0.000 -1.655) 1.964 3.626 ( 0.253 0.000 -2.119) 2.134 3.853 ( 0.065 0.000 0.000) 0.065 4.076 ( -0.477 0.000 -0.260) 0.543 4.206 ( -1.874 0.000 7.745) 7.968 4.230 ( 6.612 0.000 1.042) 6.693 4.256 ( 13.796 0.000 9.991) 17.034 4.555 ( -0.311 0.000 2.613) 2.632 4.614 ( 0.235 0.000 -0.589) 0.635 4.615 ( -4.416 0.000 -3.384) 5.564 4.721 ( -0.620 0.000 5.614) 5.648 4.814 ( -1.469 0.000 0.273) 1.494 4.816 ( 0.238 0.000 -2.649) 2.660 4.895 ( 4.370 0.000 -3.985) 5.914 5.082 ( 4.193 0.000 2.838) 5.063 5.206 ( 7.349 0.000 3.619) 8.191 5.419 ( 3.914 0.000 2.331) 4.556 5.545 ( -3.090 0.000 1.822) 3.588 5.579 ( 2.647 0.000 4.150) 4.923 5.679 ( -1.393 0.000 4.952) 5.144 5.825 ( -3.401 0.000 -11.981) 12.455 5.896 ( -2.180 0.000 0.569) 2.253 5.936 ( 11.040 0.000 -3.990) 11.739 5.980 ( 4.319 0.000 -0.125) 4.321 6.060 ( -8.855 0.000 -1.183) 8.934 6.171 ( -0.169 0.000 -1.419) 1.429 6.179 ( 3.890 0.000 -2.265) 4.501 6.394 ( 5.699 0.000 4.034) 6.982 6.538 ( -12.024 0.000 3.126) 12.423 6.621 ( -3.784 0.000 -4.274) 5.708 6.684 ( -5.071 0.000 -2.519) 5.663 6.943 ( 0.801 0.000 3.872) 3.954 7.109 ( 9.393 0.000 -2.413) 9.698 7.226 ( -9.413 0.000 1.592) 9.546 7.239 ( -1.776 0.000 6.988) 7.210 7.456 ( 1.460 0.000 -1.522) 2.109 7.498 ( 1.316 0.000 2.760) 3.057 7.686 ( 0.042 0.000 -2.155) 2.155 7.944 ( 1.895 0.000 5.871) 6.169 8.029 ( 2.295 0.000 12.527) 12.736 8.175 ( 0.211 0.000 -6.328) 6.332 8.199 ( -3.811 0.000 -5.214) 6.458 8.309 ( 2.350 0.000 4.845) 5.385 8.392 ( 0.571 0.000 6.286) 6.312 8.462 ( 1.793 0.000 9.074) 9.250 8.573 ( -5.985 0.000 6.540) 8.865 8.653 ( 4.941 0.000 -14.088) 14.929 8.769 ( 8.475 0.000 1.287) 8.572 8.773 ( -0.952 0.000 -5.025) 5.114 9.074 ( 2.990 0.000 0.357) 3.011 9.103 ( -1.921 0.000 -7.122) 7.376 9.186 ( 1.726 0.000 -0.568) 1.817 9.357 ( -5.924 0.000 -1.074) 6.020 9.541 ( -3.474 0.000 -1.445) 3.762 9.631 ( -1.679 0.000 -4.495) 4.798 9.641 ( 8.547 0.000 3.689) 9.309 9.893 ( 1.958 0.000 1.119) 2.255 9.912 ( -0.977 0.000 -0.117) 0.984 10.293 ( 7.259 0.000 -7.505) 10.442 10.360 ( -10.762 0.000 7.356) 13.036 10.544 ( -2.523 0.000 -2.622) 3.639 10.650 ( -4.445 0.000 -3.467) 5.637 10.911 ( -1.047 0.000 0.103) 1.052 11.204 ( 1.409 0.000 -1.172) 1.833 11.221 ( 6.361 0.000 4.414) 7.742 11.398 ( -1.098 0.000 0.841) 1.383 11.461 ( -5.127 0.000 -3.826) 6.398 11.594 ( 1.759 0.000 4.207) 4.560 11.838 ( 3.865 0.000 -4.104) 5.637 11.932 ( -5.239 0.000 0.488) 5.262 12.732 ( 0.069 0.000 2.026) 2.028 12.794 ( -0.270 0.000 -1.963) 1.982 13.057 ( 1.813 0.000 1.291) 2.226 13.206 ( -0.606 0.000 -1.290) 1.425 13.242 ( -3.136 0.000 4.422) 5.421 13.251 ( 3.731 0.000 -4.110) 5.551 14.806 ( -4.234 0.000 -4.383) 6.094 15.107 ( 2.606 0.000 1.980) 3.273 16.130 ( -1.794 0.000 -1.001) 2.054 16.257 ( -1.183 0.000 -0.005) 1.183 16.300 ( 0.590 0.000 0.735) 0.943 16.404 ( -3.026 0.000 -2.638) 4.015 16.466 ( -0.038 0.000 0.019) 0.043 16.470 ( -0.244 0.000 -0.318) 0.401 17.658 ( 8.855 0.000 7.938) 11.892 17.722 ( 1.369 0.000 2.236) 2.622 18.216 ( -10.243 0.000 -9.417) 13.914 18.344 ( 1.929 0.000 0.439) 1.978 21.521 ( -0.008 0.000 -0.673) 0.673 21.539 ( 2.059 0.000 0.946) 2.266 21.556 ( 1.276 0.000 0.870) 1.544 21.666 ( -2.985 0.000 -1.786) 3.479 21.702 ( 0.694 0.000 4.066) 4.125 21.776 ( 1.821 0.000 -1.639) 2.450 22.067 ( -1.370 0.000 -2.073) 2.485 22.091 ( -2.271 0.000 -1.916) 2.972 22.589 ( 0.126 0.000 0.342) 0.364 22.649 ( -0.083 0.000 0.161) 0.181 23.052 ( -0.096 0.000 0.700) 0.707 23.128 ( 2.629 0.000 2.278) 3.479 ======================= Grid point 9 (6/112) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.000 31.447 0.000) 31.447 0.697 ( 0.000 33.050 0.000) 33.050 1.235 ( 0.000 58.019 0.000) 58.019 1.504 ( 0.000 6.781 0.000) 6.781 2.316 ( 0.000 3.856 0.000) 3.856 2.390 ( 0.000 -2.878 0.000) 2.878 2.632 ( 0.000 -1.264 0.000) 1.264 2.671 ( 0.000 -5.672 0.000) 5.672 2.684 ( 0.000 -4.114 0.000) 4.114 2.752 ( 0.000 -0.860 0.000) 0.860 2.765 ( 0.000 6.166 0.000) 6.166 2.964 ( 0.000 -2.127 0.000) 2.127 3.175 ( 0.000 -6.767 0.000) 6.767 3.211 ( 0.000 -5.136 0.000) 5.136 3.235 ( 0.000 -1.312 0.000) 1.312 3.273 ( 0.000 -6.002 0.000) 6.002 3.328 ( 0.000 -5.431 0.000) 5.431 3.394 ( 0.000 -3.138 0.000) 3.138 3.441 ( 0.000 -1.256 0.000) 1.256 3.510 ( 0.000 -6.218 0.000) 6.218 3.663 ( 0.000 -1.438 0.000) 1.438 3.777 ( 0.000 4.229 0.000) 4.229 3.951 ( 0.000 4.601 0.000) 4.601 3.989 ( 0.000 -3.817 0.000) 3.817 4.022 ( 0.000 -2.258 0.000) 2.258 4.268 ( 0.000 2.601 0.000) 2.601 4.279 ( 0.000 14.597 0.000) 14.597 4.331 ( 0.000 -6.050 0.000) 6.050 4.357 ( 0.000 -0.679 0.000) 0.679 4.372 ( 0.000 -4.513 0.000) 4.513 4.448 ( 0.000 7.636 0.000) 7.636 4.538 ( 0.000 4.285 0.000) 4.285 4.686 ( 0.000 11.550 0.000) 11.550 4.771 ( 0.000 12.564 0.000) 12.564 4.832 ( 0.000 11.631 0.000) 11.631 4.942 ( 0.000 -0.005 0.000) 0.005 5.096 ( 0.000 -3.338 0.000) 3.338 5.107 ( 0.000 0.481 0.000) 0.481 5.307 ( 0.000 4.244 0.000) 4.244 5.388 ( 0.000 -0.678 0.000) 0.678 5.587 ( 0.000 -1.898 0.000) 1.898 5.702 ( 0.000 -3.223 0.000) 3.223 6.052 ( 0.000 -5.394 0.000) 5.394 6.058 ( 0.000 -3.464 0.000) 3.464 6.331 ( 0.000 1.591 0.000) 1.591 6.370 ( 0.000 13.089 0.000) 13.089 6.422 ( 0.000 -7.007 0.000) 7.007 6.607 ( 0.000 -10.940 0.000) 10.940 6.696 ( 0.000 -1.954 0.000) 1.954 6.813 ( 0.000 -7.425 0.000) 7.425 6.848 ( 0.000 -4.121 0.000) 4.121 6.913 ( 0.000 -2.005 0.000) 2.005 6.969 ( 0.000 1.265 0.000) 1.265 7.080 ( 0.000 -0.993 0.000) 0.993 7.117 ( 0.000 2.865 0.000) 2.865 7.223 ( 0.000 0.722 0.000) 0.722 7.346 ( 0.000 -1.999 0.000) 1.999 7.596 ( 0.000 5.115 0.000) 5.115 7.673 ( 0.000 -3.135 0.000) 3.135 7.744 ( 0.000 2.154 0.000) 2.154 7.762 ( 0.000 4.906 0.000) 4.906 7.868 ( 0.000 8.295 0.000) 8.295 8.018 ( 0.000 8.167 0.000) 8.167 8.094 ( 0.000 7.179 0.000) 7.179 8.280 ( 0.000 5.436 0.000) 5.436 8.434 ( 0.000 -0.315 0.000) 0.315 8.580 ( 0.000 -0.715 0.000) 0.715 8.719 ( 0.000 -1.665 0.000) 1.665 8.832 ( 0.000 5.763 0.000) 5.763 9.202 ( 0.000 -6.120 0.000) 6.120 9.220 ( 0.000 -10.289 0.000) 10.289 9.281 ( 0.000 -3.116 0.000) 3.116 9.399 ( 0.000 1.359 0.000) 1.359 9.693 ( 0.000 0.380 0.000) 0.380 9.724 ( 0.000 -3.451 0.000) 3.451 9.758 ( 0.000 -7.770 0.000) 7.770 9.914 ( 0.000 1.386 0.000) 1.386 9.962 ( 0.000 -4.607 0.000) 4.607 10.388 ( 0.000 -0.411 0.000) 0.411 10.419 ( 0.000 2.595 0.000) 2.595 10.532 ( 0.000 3.499 0.000) 3.499 10.790 ( 0.000 -2.312 0.000) 2.312 11.056 ( 0.000 -7.565 0.000) 7.565 11.133 ( 0.000 -3.250 0.000) 3.250 11.166 ( 0.000 -1.955 0.000) 1.955 11.251 ( 0.000 -1.719 0.000) 1.719 11.710 ( 0.000 -0.146 0.000) 0.146 11.791 ( 0.000 6.913 0.000) 6.913 11.963 ( 0.000 -2.342 0.000) 2.342 12.476 ( 0.000 5.392 0.000) 5.392 12.606 ( 0.000 -5.386 0.000) 5.386 12.694 ( 0.000 1.885 0.000) 1.885 12.970 ( 0.000 0.327 0.000) 0.327 13.024 ( 0.000 -3.119 0.000) 3.119 13.209 ( 0.000 -0.500 0.000) 0.500 13.507 ( 0.000 -2.703 0.000) 2.703 14.691 ( 0.000 7.484 0.000) 7.484 15.893 ( 0.000 -16.712 0.000) 16.712 16.114 ( 0.000 0.519 0.000) 0.519 16.182 ( 0.000 -0.475 0.000) 0.475 16.381 ( 0.000 8.387 0.000) 8.387 16.456 ( 0.000 -0.071 0.000) 0.071 16.457 ( 0.000 1.811 0.000) 1.811 16.677 ( 0.000 11.191 0.000) 11.191 17.247 ( 0.000 0.114 0.000) 0.114 17.314 ( 0.000 -2.469 0.000) 2.469 18.028 ( 0.000 0.897 0.000) 0.897 19.173 ( 0.000 -12.140 0.000) 12.140 21.396 ( 0.000 1.203 0.000) 1.203 21.443 ( 0.000 0.810 0.000) 0.810 21.501 ( 0.000 1.770 0.000) 1.770 21.526 ( 0.000 2.443 0.000) 2.443 21.792 ( 0.000 -3.800 0.000) 3.800 21.813 ( 0.000 -1.335 0.000) 1.335 22.270 ( 0.000 1.228 0.000) 1.228 22.386 ( 0.000 0.842 0.000) 0.842 22.399 ( 0.000 -0.716 0.000) 0.716 22.470 ( 0.000 -0.492 0.000) 0.492 22.736 ( 0.000 7.406 0.000) 7.406 23.256 ( 0.000 -2.413 0.000) 2.413 ======================= Grid point 10 (7/112) ======================= q-point: ( 0.11 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( 6.585 23.595 9.501) 26.274 0.816 ( 11.729 22.620 10.181) 27.439 1.448 ( -5.704 5.641 -2.006) 8.270 1.577 ( 17.969 43.264 19.417) 50.712 2.164 ( -5.134 2.698 -14.203) 15.342 2.391 ( 1.614 -3.627 -3.480) 5.279 2.535 ( -4.751 -5.343 -11.800) 13.797 2.588 ( -6.286 -1.191 -2.742) 6.960 2.682 ( 0.706 1.265 -1.429) 2.035 2.760 ( 1.735 5.237 -0.524) 5.542 2.833 ( 1.307 -3.167 7.041) 7.830 2.935 ( -5.068 -4.081 -3.441) 7.360 3.048 ( -3.676 -1.595 -11.154) 11.852 3.093 ( -5.099 -6.910 -2.788) 9.029 3.136 ( -4.608 1.580 -5.150) 7.089 3.261 ( -4.266 -5.861 -1.534) 7.409 3.279 ( -2.383 0.159 -4.093) 4.739 3.361 ( -3.200 -6.343 0.875) 7.158 3.471 ( -0.638 -3.512 -2.988) 4.655 3.539 ( -6.840 1.624 -2.945) 7.622 3.562 ( 1.296 -6.859 0.688) 7.014 3.706 ( 1.066 1.265 2.208) 2.759 3.883 ( -5.216 -0.327 -0.929) 5.308 3.990 ( -1.940 -0.567 -2.636) 3.321 4.100 ( -0.049 7.985 -1.636) 8.150 4.187 ( 0.350 7.161 4.444) 8.435 4.218 ( -2.251 -9.622 -11.439) 15.116 4.337 ( -0.188 1.127 0.739) 1.361 4.398 ( 4.045 4.797 7.974) 10.147 4.494 ( 2.566 1.307 7.199) 7.754 4.582 ( 6.325 7.964 5.997) 11.806 4.686 ( -2.067 12.442 1.107) 12.661 4.767 ( 15.021 -2.690 9.780) 18.125 4.794 ( 5.325 8.994 2.499) 10.747 4.861 ( 6.481 9.743 -2.017) 11.874 4.930 ( 0.569 3.063 -1.969) 3.686 5.000 ( 2.943 1.377 -6.065) 6.881 5.219 ( -0.946 -5.271 8.963) 10.441 5.232 ( -1.350 7.482 -0.420) 7.614 5.389 ( -0.256 0.302 0.221) 0.454 5.606 ( 1.634 -3.953 0.330) 4.290 5.740 ( -0.763 -1.471 4.949) 5.219 6.068 ( 3.461 -3.549 -2.157) 5.406 6.106 ( 0.959 -5.104 1.180) 5.326 6.264 ( -4.074 0.411 -1.944) 4.532 6.298 ( -0.653 2.708 -8.217) 8.676 6.489 ( -1.919 -0.848 6.351) 6.689 6.588 ( -3.809 -7.385 -0.248) 8.313 6.668 ( -1.781 0.324 1.222) 2.184 6.792 ( 3.480 1.034 -8.719) 9.444 6.836 ( -1.080 -1.737 -1.293) 2.420 6.931 ( -2.666 -3.149 7.224) 8.319 7.059 ( -3.553 0.299 10.912) 11.480 7.067 ( 6.789 -0.352 -1.686) 7.004 7.165 ( -1.340 -1.136 8.622) 8.799 7.284 ( 1.944 -0.044 0.160) 1.951 7.372 ( 3.833 1.410 6.800) 7.932 7.511 ( -12.954 1.308 -2.476) 13.253 7.646 ( 1.825 3.458 4.182) 5.725 7.721 ( -0.957 8.117 -1.216) 8.263 7.852 ( -0.886 0.170 7.520) 7.574 7.930 ( 4.675 2.491 0.126) 5.299 7.983 ( 0.970 7.006 2.338) 7.449 8.157 ( 0.139 6.258 6.268) 8.858 8.326 ( 3.659 8.322 0.012) 9.091 8.508 ( 9.199 0.705 -0.793) 9.260 8.565 ( 0.764 0.474 -1.601) 1.837 8.691 ( 4.671 -3.419 -5.131) 7.735 8.906 ( 0.878 1.738 0.255) 1.964 9.158 ( -1.175 -2.267 -5.255) 5.842 9.253 ( 4.444 -7.683 -1.721) 9.041 9.278 ( -0.710 -6.822 1.190) 6.962 9.429 ( -0.252 0.022 1.571) 1.591 9.622 ( -4.588 -2.575 -1.136) 5.382 9.720 ( -0.778 -1.979 -1.743) 2.750 9.777 ( -3.404 -8.328 3.274) 9.574 9.916 ( 1.747 0.903 -3.177) 3.736 9.976 ( 3.824 -5.884 -1.596) 7.197 10.377 ( 2.677 2.695 -5.818) 6.948 10.435 ( -0.965 0.472 1.312) 1.696 10.626 ( 3.310 -9.590 7.511) 12.623 10.809 ( -1.876 -4.260 3.413) 5.772 11.045 ( 1.557 -4.711 -3.696) 6.187 11.057 ( -1.578 -2.064 -7.390) 7.834 11.178 ( -0.115 -3.035 1.766) 3.513 11.252 ( -1.040 -1.306 1.334) 2.137 11.649 ( -4.996 1.670 -3.365) 6.251 11.784 ( -0.251 7.916 -0.230) 7.923 11.950 ( -0.539 -1.968 -1.673) 2.639 12.394 ( -11.231 14.040 -8.659) 19.956 12.505 ( 1.429 3.915 2.691) 4.961 12.698 ( 6.213 -3.953 0.518) 7.382 12.971 ( -2.891 1.194 1.238) 3.364 13.038 ( 1.804 -2.217 0.312) 2.875 13.252 ( 0.591 -7.015 0.473) 7.056 13.454 ( -2.484 -1.518 -3.632) 4.655 14.746 ( 4.403 6.983 3.356) 8.911 15.838 ( -12.594 1.563 -18.548) 22.474 15.907 ( 0.305 -16.054 0.731) 16.074 16.099 ( -0.665 -10.865 -1.236) 10.956 16.389 ( -7.459 0.334 4.980) 8.975 16.433 ( -4.815 1.311 2.396) 5.536 16.684 ( 0.477 12.143 0.684) 12.172 16.745 ( 17.059 5.167 10.357) 20.615 17.336 ( 3.219 0.363 0.937) 3.372 17.425 ( -0.123 10.186 3.619) 10.811 17.880 ( 1.408 -4.456 -4.285) 6.340 19.075 ( -6.973 -11.919 -7.055) 15.507 21.427 ( 1.946 0.935 2.333) 3.179 21.450 ( 1.169 0.877 -0.242) 1.482 21.502 ( -0.298 1.654 0.652) 1.803 21.541 ( 1.516 2.233 0.316) 2.718 21.766 ( -1.575 -2.161 -1.324) 2.983 21.810 ( -0.127 -0.902 -0.394) 0.992 22.310 ( 1.171 -2.679 -0.379) 2.948 22.357 ( -1.113 -2.537 -1.227) 3.031 22.401 ( -0.478 -1.267 -0.469) 1.433 22.495 ( 2.014 -4.287 0.105) 4.737 22.797 ( 3.578 9.360 5.445) 11.404 23.204 ( -3.013 4.767 -1.243) 5.775 ======================= Grid point 11 (8/112) ======================= q-point: ( 0.22 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 4.235 12.336 9.956) 16.409 1.184 ( 12.111 7.500 11.500) 18.308 1.301 ( -3.576 4.536 -8.840) 10.560 1.813 ( -5.894 7.138 -8.694) 12.699 1.978 ( -0.831 15.102 -3.111) 15.441 2.246 ( -3.575 -2.279 -14.093) 14.716 2.312 ( -3.683 -3.179 -11.520) 12.505 2.520 ( -2.655 0.732 4.296) 5.103 2.634 ( 3.872 -1.316 -5.560) 6.902 2.729 ( -2.162 2.935 -7.896) 8.697 2.764 ( -9.516 2.411 1.538) 9.936 2.880 ( -6.444 3.738 -1.342) 7.570 2.942 ( 3.764 -3.162 1.218) 5.064 3.032 ( -1.447 -0.316 -4.290) 4.539 3.055 ( -2.852 -4.652 4.405) 7.013 3.107 ( -4.041 -0.451 -6.738) 7.870 3.206 ( -5.475 -4.718 0.361) 7.237 3.328 ( -3.162 -0.566 -0.236) 3.221 3.465 ( -1.033 -2.371 0.482) 2.631 3.473 ( 1.145 -1.281 -1.694) 2.413 3.589 ( 4.167 -6.335 -0.136) 7.584 3.745 ( -6.373 -1.184 -3.285) 7.267 3.772 ( -1.534 -1.109 -1.806) 2.617 3.853 ( -7.152 -9.876 -9.683) 15.570 3.961 ( -3.043 -7.159 0.989) 7.842 4.125 ( 0.177 13.477 0.512) 13.488 4.321 ( 3.925 10.750 3.516) 11.972 4.409 ( 1.832 6.530 8.183) 10.628 4.580 ( 6.909 3.621 6.380) 10.077 4.624 ( 3.447 2.827 3.059) 5.407 4.692 ( 1.935 9.317 1.083) 9.577 4.739 ( 0.791 7.288 9.854) 12.282 4.860 ( 4.232 5.881 0.580) 7.269 4.891 ( 2.972 8.821 -4.171) 10.200 4.956 ( 2.494 2.765 -3.907) 5.397 5.043 ( 11.802 0.323 2.256) 12.020 5.067 ( 9.807 -2.206 8.206) 12.977 5.262 ( 1.324 2.183 3.366) 4.225 5.383 ( 3.119 -0.629 -2.617) 4.119 5.422 ( 7.931 -0.912 11.745) 14.201 5.641 ( 2.857 -3.938 1.046) 4.977 5.804 ( 0.639 -1.024 3.870) 4.054 6.051 ( -1.864 -3.025 -6.204) 7.150 6.104 ( 4.645 -1.372 -2.427) 5.417 6.159 ( -3.767 -4.348 -0.736) 5.800 6.252 ( -1.570 1.619 -0.028) 2.255 6.441 ( -5.536 -2.414 -5.759) 8.345 6.475 ( 1.010 2.142 -12.720) 12.939 6.659 ( -6.793 1.262 2.013) 7.197 6.763 ( -3.213 4.112 5.072) 7.277 6.789 ( 2.899 -3.073 -2.471) 4.894 7.024 ( -2.075 1.385 6.152) 6.639 7.098 ( -5.213 -4.242 -0.151) 6.723 7.136 ( 0.448 5.314 4.391) 6.908 7.265 ( 0.896 -5.637 4.478) 7.255 7.322 ( -5.114 -2.008 9.723) 11.168 7.374 ( -7.594 1.915 6.460) 10.152 7.569 ( 2.986 -0.634 9.151) 9.646 7.720 ( 2.231 5.928 1.946) 6.626 7.739 ( 2.347 4.092 7.703) 9.033 7.927 ( -1.244 4.419 4.756) 6.610 7.999 ( 3.647 2.509 8.626) 9.696 8.137 ( 10.304 2.024 4.254) 11.329 8.278 ( 5.167 3.013 3.203) 6.785 8.337 ( 2.819 1.020 -2.409) 3.846 8.577 ( 3.697 1.135 -4.641) 6.041 8.599 ( 5.422 6.336 -1.566) 8.485 8.702 ( 3.770 -5.057 -0.193) 6.310 8.950 ( 6.827 5.180 2.255) 8.861 9.045 ( -0.279 3.017 -9.269) 9.752 9.228 ( -0.769 -2.593 -5.527) 6.153 9.294 ( 0.016 -6.861 1.165) 6.960 9.382 ( -2.678 -0.192 -5.083) 5.748 9.575 ( -2.631 -8.180 0.824) 8.632 9.634 ( -7.211 -3.643 -2.144) 8.359 9.763 ( -5.075 -6.187 2.967) 8.535 9.870 ( 1.035 2.449 -5.488) 6.098 10.019 ( 5.061 -7.108 -1.987) 8.949 10.280 ( 0.950 6.763 -9.639) 11.813 10.453 ( -5.577 -3.570 5.705) 8.741 10.716 ( -2.687 -11.912 0.706) 12.232 10.789 ( -1.644 -7.125 0.772) 7.353 10.938 ( -0.620 -2.294 -7.483) 7.852 11.024 ( 3.280 3.340 -2.538) 5.325 11.217 ( -0.850 -6.398 4.547) 7.895 11.260 ( 0.159 -0.327 0.600) 0.702 11.520 ( -5.378 3.033 -3.868) 7.286 11.782 ( -1.782 9.135 1.890) 9.498 11.904 ( 0.400 -0.617 -4.473) 4.533 12.211 ( -5.847 11.595 -2.877) 13.301 12.583 ( 2.692 1.370 4.096) 5.090 12.811 ( 7.133 -5.066 1.633) 8.900 12.928 ( -3.512 1.785 -0.858) 4.032 13.083 ( 1.631 -2.532 2.675) 4.028 13.229 ( -1.311 -7.089 -2.110) 7.511 13.362 ( -2.129 -1.687 -5.000) 5.690 14.886 ( 6.750 5.920 5.206) 10.378 15.417 ( -13.272 2.754 -16.030) 20.993 15.934 ( 1.107 -16.303 1.268) 16.390 16.065 ( -1.424 -17.387 -1.669) 17.524 16.335 ( -5.616 -0.167 0.399) 5.633 16.392 ( -4.506 0.690 1.014) 4.670 16.704 ( 0.995 14.105 0.715) 14.158 17.097 ( 13.251 4.729 10.780) 17.725 17.198 ( -10.271 22.776 -9.086) 26.586 17.475 ( 3.952 -1.876 5.069) 6.696 18.034 ( 10.159 -9.853 5.267) 15.101 18.815 ( -11.632 -10.724 -11.499) 19.559 21.469 ( 2.547 1.154 -0.638) 2.868 21.500 ( 2.156 0.186 2.797) 3.536 21.519 ( 0.693 1.505 2.706) 3.173 21.562 ( 0.637 1.524 0.067) 1.653 21.742 ( 0.472 0.331 -0.243) 0.626 21.795 ( -0.829 0.145 -1.157) 1.430 22.252 ( -2.022 -0.070 -4.999) 5.393 22.299 ( -3.821 -1.154 -3.548) 5.341 22.410 ( 0.344 -8.192 1.638) 8.362 22.508 ( 0.563 -7.994 -0.422) 8.025 22.960 ( 6.331 10.021 7.239) 13.890 23.171 ( -1.593 8.027 0.749) 8.218 ======================= Grid point 12 (9/112) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 1.654 3.714 -11.153) 11.871 1.153 ( -4.969 4.155 3.947) 7.585 1.298 ( -1.723 3.556 -13.947) 14.496 1.653 ( -5.993 5.629 -0.755) 8.257 1.854 ( -4.704 9.047 -2.318) 10.457 2.030 ( -1.364 -0.911 -9.070) 9.217 2.157 ( 1.613 -2.005 -4.063) 4.810 2.525 ( 0.156 -5.692 -2.910) 6.394 2.602 ( -2.438 -3.142 -4.010) 5.647 2.618 ( 0.177 -0.586 -3.453) 3.506 2.643 ( -12.205 1.361 3.721) 12.832 2.819 ( -4.132 2.259 -1.202) 4.860 2.933 ( -5.918 -2.953 -5.256) 8.448 2.980 ( 0.473 -5.523 -2.761) 6.193 3.023 ( 2.488 -4.609 -3.684) 6.403 3.047 ( -4.470 -2.650 1.852) 5.517 3.134 ( -2.791 -2.561 -4.489) 5.874 3.273 ( -5.315 0.839 0.525) 5.407 3.344 ( -3.906 -0.206 -4.940) 6.301 3.459 ( -5.317 -2.372 -4.836) 7.569 3.558 ( -1.415 -0.785 -7.462) 7.635 3.701 ( 2.617 2.016 2.146) 3.939 3.773 ( 11.061 1.124 12.282) 16.567 3.851 ( 0.578 -5.978 1.248) 6.134 4.012 ( 2.652 -5.654 3.087) 6.967 4.172 ( 1.097 12.115 6.033) 13.579 4.395 ( 3.569 17.231 0.978) 17.624 4.530 ( 1.440 3.950 5.978) 7.309 4.655 ( -0.648 7.505 1.906) 7.771 4.718 ( 2.820 4.500 0.893) 5.386 4.777 ( 1.184 4.275 1.950) 4.846 4.834 ( 3.200 7.136 6.052) 9.889 4.928 ( 3.036 7.415 -2.523) 8.400 4.948 ( 3.473 9.037 3.105) 10.167 4.972 ( 3.781 3.354 6.624) 8.332 5.158 ( 10.495 3.164 -10.856) 15.427 5.279 ( 5.255 1.391 9.059) 10.564 5.354 ( 5.805 -2.786 6.238) 8.965 5.469 ( 6.547 -3.799 3.396) 8.296 5.647 ( 0.972 0.382 7.964) 8.032 5.723 ( 8.598 -5.017 -0.959) 10.001 5.853 ( 1.542 -2.968 1.235) 3.565 5.954 ( -2.426 -2.721 -1.247) 3.853 6.081 ( -2.928 -0.771 -6.525) 7.193 6.138 ( 3.771 -2.257 -3.822) 5.824 6.200 ( -1.615 -1.476 -4.739) 5.220 6.248 ( -3.452 2.426 -6.311) 7.591 6.364 ( -0.134 3.279 -4.535) 5.597 6.571 ( -11.573 -2.019 6.112) 13.242 6.760 ( -3.224 -4.037 -4.441) 6.814 6.804 ( -1.704 2.092 -0.582) 2.761 6.938 ( -3.819 2.693 0.403) 4.690 7.078 ( -5.618 -0.543 5.556) 7.920 7.169 ( 0.263 1.511 -0.111) 1.537 7.324 ( -4.099 3.291 7.710) 9.331 7.375 ( 2.044 0.037 0.853) 2.215 7.437 ( -1.150 -0.900 8.409) 8.535 7.666 ( 3.362 -3.945 1.108) 5.301 7.759 ( -1.671 1.333 5.381) 5.790 7.973 ( 0.290 7.912 16.884) 18.648 8.038 ( 4.587 -1.960 8.463) 9.824 8.208 ( 4.211 1.124 13.455) 14.143 8.255 ( -1.945 2.097 -3.895) 4.832 8.322 ( 2.722 3.303 7.255) 8.424 8.425 ( 9.942 -4.820 -7.941) 13.606 8.508 ( 1.833 1.849 -3.401) 4.284 8.668 ( 2.584 6.645 2.743) 7.640 8.776 ( 2.523 -3.248 2.398) 4.761 8.905 ( 2.922 5.809 -12.650) 14.223 9.063 ( 1.425 0.339 -5.932) 6.110 9.172 ( 7.876 5.250 -2.277) 9.735 9.244 ( -1.753 -1.738 -8.498) 8.849 9.345 ( -0.566 -6.862 6.832) 9.700 9.500 ( -4.086 -1.374 -1.518) 4.570 9.534 ( -3.328 -9.145 -3.060) 10.202 9.731 ( -4.579 -5.458 3.483) 7.930 9.807 ( 1.818 1.353 -7.049) 7.404 10.017 ( -1.045 -0.396 -2.626) 2.854 10.221 ( 7.309 1.220 -5.893) 9.467 10.409 ( -10.650 -4.397 4.380) 12.326 10.575 ( -7.586 -7.977 -4.893) 12.046 10.817 ( -3.960 0.259 -5.516) 6.796 10.851 ( 3.587 -6.911 1.770) 7.985 11.066 ( 4.324 2.511 0.339) 5.012 11.255 ( -5.634 -9.355 6.648) 12.785 11.266 ( 1.778 1.486 -1.686) 2.866 11.430 ( -0.585 1.020 -2.642) 2.892 11.778 ( -4.846 6.349 3.905) 8.890 11.861 ( 4.255 4.274 -5.823) 8.383 12.116 ( -4.169 9.440 -1.666) 10.453 12.670 ( 2.203 -0.185 3.251) 3.932 12.860 ( -2.861 1.212 -2.103) 3.752 12.922 ( 5.183 -5.509 1.702) 7.753 13.144 ( 1.112 -4.184 2.444) 4.972 13.183 ( -1.410 -5.552 -0.930) 5.804 13.273 ( -0.938 -2.105 -4.446) 5.008 15.046 ( 5.283 4.848 3.578) 8.014 15.068 ( -9.176 4.260 -10.190) 14.359 15.965 ( 1.049 -15.356 0.883) 15.417 16.021 ( -1.497 -18.751 -1.462) 18.867 16.252 ( -4.982 -0.209 -1.467) 5.198 16.340 ( -3.725 -0.060 -0.109) 3.728 16.728 ( 1.141 16.001 0.494) 16.050 16.973 ( -6.686 21.269 -5.870) 23.055 17.398 ( 10.915 2.393 9.323) 14.553 17.601 ( 3.563 -3.057 5.030) 6.881 18.206 ( 6.220 -6.460 2.959) 9.443 18.480 ( -12.584 -7.624 -12.010) 18.992 21.504 ( 3.596 1.379 -0.264) 3.861 21.534 ( 0.308 0.704 1.166) 1.396 21.554 ( 0.443 1.442 -0.604) 1.625 21.612 ( 1.330 0.103 5.784) 5.935 21.751 ( -1.832 1.290 -1.677) 2.799 21.770 ( 2.371 1.322 -0.323) 2.733 22.148 ( -2.810 0.040 -4.825) 5.584 22.183 ( -4.712 -0.423 -4.081) 6.247 22.435 ( 0.259 -9.674 1.294) 9.764 22.508 ( 0.107 -9.744 -0.128) 9.746 23.134 ( 5.552 8.951 5.494) 11.880 23.172 ( -0.462 8.852 1.224) 8.948 ======================= Grid point 13 (10/112) ======================= q-point: ( 0.44 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -4.486 -1.117 -0.652) 4.669 1.014 ( -2.368 2.358 -13.373) 13.785 1.152 ( 4.184 7.349 -0.654) 8.482 1.610 ( -3.055 1.951 1.258) 3.837 1.718 ( -6.703 1.578 -1.854) 7.131 1.988 ( 2.701 -1.142 -1.302) 3.209 2.204 ( 1.959 2.551 -0.657) 3.283 2.460 ( 1.864 0.984 -2.820) 3.521 2.522 ( -1.245 -11.529 -3.615) 12.146 2.569 ( -6.448 1.094 3.512) 7.423 2.620 ( -0.029 -1.759 1.294) 2.184 2.740 ( -4.626 -4.008 -6.830) 9.172 2.787 ( -0.460 -2.546 1.994) 3.267 2.922 ( -3.073 -9.217 -0.847) 9.753 3.014 ( 1.313 -4.691 -2.313) 5.393 3.033 ( -4.623 -4.181 3.746) 7.273 3.059 ( 7.369 2.111 -5.697) 9.551 3.176 ( -8.148 -1.372 -2.065) 8.517 3.280 ( -1.393 0.775 -0.342) 1.631 3.331 ( -1.967 3.383 -2.975) 4.916 3.503 ( 0.344 0.402 -1.915) 1.986 3.751 ( 0.496 6.482 1.450) 6.661 3.847 ( 0.442 -7.017 -0.792) 7.075 4.044 ( 0.191 -1.525 1.020) 1.845 4.105 ( 7.645 4.137 6.816) 11.046 4.281 ( 1.051 8.426 4.239) 9.490 4.492 ( 5.519 9.580 2.726) 11.387 4.613 ( 2.679 7.357 3.208) 8.462 4.669 ( -1.007 6.294 1.115) 6.471 4.710 ( -1.848 6.771 -2.098) 7.326 4.781 ( -0.377 6.540 1.992) 6.847 4.925 ( -2.703 8.691 -2.449) 9.425 4.941 ( 0.805 9.297 0.188) 9.334 4.979 ( 4.762 8.984 -0.136) 10.169 5.133 ( 3.142 4.384 6.216) 8.230 5.202 ( 6.782 0.701 -0.817) 6.867 5.442 ( 2.519 0.966 4.437) 5.193 5.504 ( 3.772 -1.927 5.941) 7.296 5.560 ( 1.404 -3.016 0.952) 3.460 5.701 ( -1.366 0.224 4.007) 4.239 5.741 ( -4.680 -3.904 -6.713) 9.067 5.842 ( 0.185 -1.429 -6.377) 6.538 5.889 ( 7.958 -4.297 -1.496) 9.167 6.010 ( -6.076 -1.635 -0.646) 6.326 6.109 ( -1.935 -4.414 -0.689) 4.868 6.145 ( 4.860 4.995 -2.931) 7.560 6.225 ( 4.294 2.326 -1.691) 5.168 6.357 ( 1.032 -2.904 2.969) 4.279 6.478 ( -11.852 -5.428 2.098) 13.203 6.614 ( -3.943 -0.219 -3.761) 5.454 6.732 ( -2.409 2.602 -1.935) 4.040 6.989 ( 4.156 0.443 2.227) 4.736 7.081 ( -4.477 -3.665 2.885) 6.465 7.161 ( 0.493 -2.850 -1.104) 3.095 7.317 ( -2.881 9.411 1.893) 10.022 7.452 ( 2.418 2.478 2.024) 4.011 7.511 ( 0.528 -0.278 2.887) 2.948 7.663 ( 0.198 -2.040 -2.499) 3.232 7.894 ( 4.402 -1.264 9.837) 10.851 8.091 ( -4.467 -1.056 -7.089) 8.445 8.151 ( -0.196 4.396 9.075) 10.085 8.243 ( 1.545 -4.235 4.815) 6.596 8.311 ( -0.957 5.795 -3.245) 6.711 8.407 ( 1.373 0.031 5.956) 6.112 8.463 ( 0.340 1.690 1.739) 2.449 8.574 ( 6.152 -3.951 1.187) 7.407 8.694 ( -1.146 7.951 0.486) 8.048 8.773 ( 0.173 1.274 -3.101) 3.357 8.844 ( 2.111 3.189 -2.320) 4.473 9.019 ( 1.056 -2.022 -2.560) 3.428 9.077 ( -1.258 -1.899 -6.968) 7.331 9.257 ( 5.178 2.636 -0.038) 5.811 9.357 ( -6.752 -0.160 3.932) 7.815 9.407 ( -2.255 -7.997 -5.930) 10.208 9.591 ( 5.851 -4.167 1.842) 7.415 9.714 ( -1.729 3.439 -1.785) 4.243 9.763 ( 1.758 -6.424 0.039) 6.660 9.998 ( 1.921 3.548 0.452) 4.060 10.256 ( 5.340 -3.193 -7.012) 9.375 10.316 ( -8.139 -3.703 5.912) 10.720 10.434 ( -4.543 -8.076 -2.616) 9.628 10.703 ( -3.112 3.000 -2.365) 4.927 10.902 ( 1.161 -2.846 0.575) 3.127 11.140 ( 5.189 -2.836 0.057) 5.914 11.238 ( -7.044 -10.555 4.505) 13.465 11.265 ( 1.701 2.686 -1.883) 3.695 11.417 ( 0.962 0.054 -0.850) 1.285 11.760 ( -2.331 0.653 1.344) 2.769 11.861 ( 2.560 9.597 -2.002) 10.132 12.053 ( -2.030 10.242 -0.780) 10.470 12.720 ( 0.529 -0.874 1.252) 1.616 12.805 ( -1.027 0.969 -1.359) 1.959 12.993 ( 2.104 -5.958 1.066) 6.408 13.131 ( -0.909 -6.659 -1.251) 6.836 13.203 ( 0.250 -3.839 1.739) 4.221 13.228 ( 0.191 -2.090 -1.580) 2.627 14.861 ( -3.866 5.336 -4.136) 7.780 15.157 ( 2.592 4.577 1.843) 5.573 15.970 ( -0.404 -17.771 -0.461) 17.781 16.009 ( 0.520 -14.747 0.363) 14.761 16.177 ( -2.480 -0.313 -1.121) 2.740 16.298 ( -1.602 -0.705 -0.256) 1.768 16.747 ( 0.747 17.192 0.263) 17.210 16.860 ( -2.356 19.285 -1.901) 19.521 17.637 ( 7.316 -1.987 5.775) 9.530 17.687 ( 0.976 -3.481 2.386) 4.332 18.176 ( -7.608 -3.380 -7.124) 10.957 18.299 ( 1.653 -4.053 0.516) 4.408 21.535 ( 0.163 1.212 -0.561) 1.345 21.554 ( 2.204 1.268 0.704) 2.638 21.570 ( 0.846 1.290 0.949) 1.811 21.678 ( -1.496 0.537 0.220) 1.604 21.710 ( -0.321 1.243 1.913) 2.304 21.790 ( 1.514 1.229 -1.339) 2.366 22.068 ( -1.281 0.114 -2.068) 2.435 22.087 ( -2.407 -0.322 -1.809) 3.028 22.450 ( 0.099 -10.003 0.478) 10.014 22.508 ( 0.024 -10.471 0.000) 10.471 23.181 ( -0.044 9.133 0.539) 9.149 23.242 ( 2.209 7.982 2.032) 8.527 ======================= Grid point 18 (11/112) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 26.284 0.000) 26.284 1.344 ( 0.000 29.524 0.000) 29.524 1.660 ( 0.000 6.705 0.000) 6.705 2.296 ( 0.000 -11.286 0.000) 11.286 2.329 ( 0.000 44.576 0.000) 44.576 2.332 ( 0.000 -1.854 0.000) 1.854 2.563 ( 0.000 -8.695 0.000) 8.695 2.572 ( 0.000 2.177 0.000) 2.177 2.616 ( 0.000 -1.436 0.000) 1.436 2.694 ( 0.000 -3.095 0.000) 3.095 2.774 ( 0.000 -4.418 0.000) 4.418 2.924 ( 0.000 0.128 0.000) 0.128 3.030 ( 0.000 -5.542 0.000) 5.542 3.111 ( 0.000 -2.278 0.000) 2.278 3.166 ( 0.000 -2.950 0.000) 2.950 3.235 ( 0.000 -0.490 0.000) 0.490 3.310 ( 0.000 2.759 0.000) 2.759 3.339 ( 0.000 -1.813 0.000) 1.813 3.424 ( 0.000 -2.669 0.000) 2.669 3.510 ( 0.000 4.825 0.000) 4.825 3.648 ( 0.000 -0.087 0.000) 0.087 3.855 ( 0.000 -14.163 0.000) 14.163 3.880 ( 0.000 5.590 0.000) 5.590 3.902 ( 0.000 -3.736 0.000) 3.736 3.989 ( 0.000 -2.370 0.000) 2.370 4.183 ( 0.000 -8.732 0.000) 8.732 4.186 ( 0.000 -2.797 0.000) 2.797 4.272 ( 0.000 -3.081 0.000) 3.081 4.345 ( 0.000 3.225 0.000) 3.225 4.492 ( 0.000 -1.465 0.000) 1.465 4.642 ( 0.000 9.236 0.000) 9.236 4.764 ( 0.000 13.633 0.000) 13.633 4.911 ( 0.000 -3.239 0.000) 3.239 4.948 ( 0.000 7.091 0.000) 7.091 5.030 ( 0.000 9.700 0.000) 9.700 5.084 ( 0.000 7.570 0.000) 7.570 5.109 ( 0.000 9.867 0.000) 9.867 5.183 ( 0.000 11.648 0.000) 11.648 5.364 ( 0.000 -1.989 0.000) 1.989 5.406 ( 0.000 5.213 0.000) 5.213 5.576 ( 0.000 2.065 0.000) 2.065 5.649 ( 0.000 -2.528 0.000) 2.528 5.913 ( 0.000 -5.996 0.000) 5.996 5.944 ( 0.000 -8.093 0.000) 8.093 6.156 ( 0.000 -16.645 0.000) 16.645 6.169 ( 0.000 -14.154 0.000) 14.154 6.550 ( 0.000 2.130 0.000) 2.130 6.583 ( 0.000 3.538 0.000) 3.538 6.665 ( 0.000 0.712 0.000) 0.712 6.709 ( 0.000 2.621 0.000) 2.621 6.833 ( 0.000 -1.529 0.000) 1.529 6.873 ( 0.000 -1.790 0.000) 1.790 6.996 ( 0.000 1.391 0.000) 1.391 7.057 ( 0.000 -1.080 0.000) 1.080 7.150 ( 0.000 0.903 0.000) 0.903 7.208 ( 0.000 -1.741 0.000) 1.741 7.364 ( 0.000 3.197 0.000) 3.197 7.564 ( 0.000 -4.972 0.000) 4.972 7.693 ( 0.000 0.926 0.000) 0.926 7.711 ( 0.000 -2.760 0.000) 2.760 7.879 ( 0.000 10.702 0.000) 10.702 8.143 ( 0.000 5.590 0.000) 5.590 8.191 ( 0.000 8.062 0.000) 8.062 8.236 ( 0.000 9.824 0.000) 9.824 8.429 ( 0.000 -0.084 0.000) 0.084 8.466 ( 0.000 8.352 0.000) 8.352 8.553 ( 0.000 -4.474 0.000) 4.474 8.690 ( 0.000 5.462 0.000) 5.462 8.877 ( 0.000 -9.637 0.000) 9.637 9.059 ( 0.000 0.981 0.000) 0.981 9.149 ( 0.000 2.719 0.000) 2.719 9.217 ( 0.000 -1.624 0.000) 1.624 9.412 ( 0.000 1.236 0.000) 1.236 9.546 ( 0.000 -10.416 0.000) 10.416 9.627 ( 0.000 -6.596 0.000) 6.596 9.688 ( 0.000 -2.190 0.000) 2.190 9.862 ( 0.000 -3.772 0.000) 3.772 9.914 ( 0.000 -2.463 0.000) 2.463 10.372 ( 0.000 -0.888 0.000) 0.888 10.479 ( 0.000 0.570 0.000) 0.570 10.603 ( 0.000 2.558 0.000) 2.558 10.618 ( 0.000 -9.608 0.000) 9.608 10.998 ( 0.000 1.662 0.000) 1.662 11.061 ( 0.000 -3.048 0.000) 3.048 11.116 ( 0.000 -2.426 0.000) 2.426 11.194 ( 0.000 -3.760 0.000) 3.760 11.730 ( 0.000 2.434 0.000) 2.434 11.895 ( 0.000 -4.083 0.000) 4.083 11.980 ( 0.000 10.823 0.000) 10.823 12.442 ( 0.000 -9.933 0.000) 9.933 12.619 ( 0.000 7.948 0.000) 7.948 12.761 ( 0.000 4.222 0.000) 4.222 12.930 ( 0.000 -5.957 0.000) 5.957 12.945 ( 0.000 -3.060 0.000) 3.060 13.231 ( 0.000 3.075 0.000) 3.075 13.429 ( 0.000 -4.723 0.000) 4.723 14.902 ( 0.000 12.623 0.000) 12.623 15.538 ( 0.000 -17.277 0.000) 17.277 16.129 ( 0.000 0.897 0.000) 0.897 16.168 ( 0.000 -0.827 0.000) 0.827 16.455 ( 0.000 0.076 0.000) 0.076 16.464 ( 0.000 -0.108 0.000) 0.108 16.622 ( 0.000 14.097 0.000) 14.097 16.912 ( 0.000 10.661 0.000) 10.661 17.180 ( 0.000 -8.190 0.000) 8.190 17.231 ( 0.000 -5.109 0.000) 5.109 18.135 ( 0.000 10.510 0.000) 10.510 18.842 ( 0.000 -18.938 0.000) 18.938 21.426 ( 0.000 1.571 0.000) 1.571 21.457 ( 0.000 0.340 0.000) 0.340 21.550 ( 0.000 2.779 0.000) 2.779 21.588 ( 0.000 3.027 0.000) 3.027 21.717 ( 0.000 -2.817 0.000) 2.817 21.772 ( 0.000 -2.624 0.000) 2.624 22.301 ( 0.000 1.769 0.000) 1.769 22.376 ( 0.000 -1.521 0.000) 1.521 22.409 ( 0.000 1.279 0.000) 1.279 22.457 ( 0.000 -0.847 0.000) 0.847 22.908 ( 0.000 8.479 0.000) 8.479 23.183 ( 0.000 -4.618 0.000) 4.618 ======================= Grid point 19 (12/112) ======================= q-point: ( 0.11 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.315 22.404 2.102) 22.505 1.344 ( 3.272 26.065 0.132) 26.269 1.588 ( -6.979 6.696 -2.866) 10.087 2.150 ( -3.439 -6.994 -15.088) 16.982 2.265 ( -2.899 3.060 -3.574) 5.526 2.439 ( -2.661 9.747 -0.248) 10.107 2.457 ( -4.823 0.653 -3.708) 6.118 2.542 ( 1.427 7.481 2.796) 8.113 2.660 ( -2.251 -2.230 -3.584) 4.784 2.733 ( 1.585 -3.070 4.890) 5.987 2.824 ( 6.614 -1.850 0.345) 6.876 2.898 ( -1.983 0.821 -1.046) 2.388 2.971 ( -4.740 -2.792 -4.206) 6.925 3.017 ( -2.438 -0.633 -7.433) 7.848 3.152 ( -0.594 -1.243 -0.008) 1.378 3.185 ( -3.284 0.608 -1.441) 3.637 3.270 ( 0.016 2.108 -4.915) 5.348 3.350 ( -3.920 2.187 -3.734) 5.838 3.394 ( 1.103 -3.857 2.878) 4.938 3.464 ( -1.035 -0.701 -4.526) 4.695 3.604 ( -7.000 2.653 0.228) 7.489 3.722 ( -1.866 0.145 -2.490) 3.115 3.820 ( -7.810 -3.555 -0.732) 8.612 3.907 ( -4.119 -7.386 -7.748) 11.469 4.004 ( -6.050 -5.371 -9.774) 12.688 4.108 ( 8.590 -8.669 10.056) 15.813 4.321 ( 8.565 2.820 5.572) 10.600 4.373 ( 1.849 1.685 10.879) 11.163 4.456 ( 6.587 1.326 5.088) 8.428 4.604 ( 4.205 8.113 -0.707) 9.166 4.666 ( 7.543 -3.274 6.502) 10.483 4.785 ( -0.785 6.410 1.916) 6.736 4.886 ( -0.183 -0.765 -2.435) 2.559 4.950 ( 2.548 4.295 -0.210) 4.998 5.046 ( -1.283 9.863 1.577) 10.070 5.075 ( 3.852 12.648 1.281) 13.283 5.155 ( -2.987 4.243 4.308) 6.745 5.206 ( 8.176 14.073 -3.084) 16.565 5.361 ( 2.006 3.815 -1.992) 4.748 5.406 ( -1.651 1.396 2.569) 3.358 5.575 ( 1.472 2.826 0.422) 3.214 5.695 ( -0.740 -3.816 5.248) 6.531 5.942 ( 3.197 -9.771 -2.510) 10.583 5.977 ( 1.017 -5.542 3.733) 6.759 6.089 ( -6.443 -13.048 0.458) 14.559 6.183 ( 1.411 -10.599 -2.459) 10.972 6.546 ( -0.035 3.756 -1.837) 4.182 6.592 ( 0.908 2.447 0.968) 2.784 6.696 ( -1.795 3.340 0.979) 3.916 6.739 ( 5.437 -4.387 0.762) 7.028 6.815 ( 3.441 -0.094 -4.294) 5.504 6.858 ( -1.838 -2.124 -0.752) 2.908 7.056 ( -1.851 0.740 10.588) 10.774 7.097 ( -3.664 -0.794 5.635) 6.769 7.180 ( 2.183 3.237 5.527) 6.767 7.289 ( 3.053 0.078 1.271) 3.308 7.398 ( 5.174 1.576 4.211) 6.854 7.512 ( -3.375 -1.062 -3.348) 4.871 7.676 ( -2.264 -0.477 2.948) 3.748 7.743 ( 0.072 -3.384 2.362) 4.127 7.943 ( 3.075 8.932 4.569) 10.493 8.055 ( -6.898 7.678 2.438) 10.606 8.197 ( -1.049 8.997 2.672) 9.444 8.250 ( -1.135 1.186 -0.634) 1.760 8.487 ( 4.440 -2.288 0.137) 4.997 8.554 ( 10.068 5.571 0.120) 11.507 8.589 ( 1.026 6.702 -4.083) 7.914 8.633 ( 3.951 1.474 -0.469) 4.243 8.905 ( 3.124 -6.623 0.510) 7.340 9.068 ( -2.393 -0.570 3.221) 4.052 9.174 ( 2.806 -0.411 0.193) 2.843 9.234 ( 2.247 2.919 -0.345) 3.700 9.387 ( -3.217 -1.787 -0.374) 3.699 9.549 ( -2.551 -10.870 3.170) 11.607 9.588 ( -0.437 -3.337 -5.717) 6.634 9.631 ( -4.308 -6.188 -3.131) 8.164 9.863 ( 1.332 -3.776 -1.302) 4.210 9.922 ( 3.168 -1.561 -2.458) 4.303 10.365 ( -3.707 -2.176 2.683) 5.067 10.470 ( 0.925 0.066 -3.207) 3.338 10.589 ( -1.258 1.144 -0.299) 1.727 10.620 ( 0.269 -8.443 0.081) 8.448 11.008 ( -2.179 -1.853 -4.508) 5.339 11.027 ( 3.798 1.050 -0.451) 3.966 11.108 ( -1.319 -2.752 0.226) 3.060 11.203 ( -0.976 -3.313 2.586) 4.314 11.691 ( -3.979 3.139 -1.549) 5.300 11.869 ( -4.853 -3.547 1.375) 6.166 12.003 ( 4.640 10.648 -1.800) 11.754 12.449 ( -0.515 -7.320 0.691) 7.371 12.629 ( -0.920 7.257 0.663) 7.345 12.701 ( 0.812 5.527 -4.795) 7.362 12.925 ( -2.640 -5.286 3.150) 6.696 12.977 ( 2.309 -5.044 -0.213) 5.551 13.197 ( -1.691 2.248 -2.909) 4.046 13.390 ( -2.286 -4.386 -2.982) 5.776 14.945 ( 3.606 11.930 2.407) 12.693 15.554 ( 1.410 -16.789 0.671) 16.861 15.892 ( -11.900 2.414 -17.237) 21.085 15.978 ( -6.498 -2.897 -9.744) 12.065 16.404 ( -7.081 0.898 3.680) 8.031 16.436 ( -5.365 -0.432 2.509) 5.938 16.909 ( 15.568 10.700 11.185) 21.954 16.933 ( 1.772 11.187 1.322) 11.403 17.270 ( 2.727 -5.028 2.860) 6.396 17.437 ( 15.969 -9.471 12.893) 22.604 17.973 ( -10.270 13.877 -10.819) 20.374 18.746 ( -6.617 -19.015 -6.701) 21.219 21.449 ( 1.614 1.102 1.567) 2.505 21.466 ( 1.099 0.510 0.200) 1.228 21.550 ( -0.268 2.785 0.414) 2.828 21.594 ( 0.548 2.297 -0.051) 2.362 21.723 ( 0.537 -1.415 0.612) 1.633 21.780 ( 0.694 -2.049 0.369) 2.195 22.277 ( -3.173 -0.104 0.638) 3.238 22.326 ( -3.450 -1.592 -2.043) 4.314 22.396 ( -0.257 0.509 -2.817) 2.874 22.441 ( 0.767 -1.553 -3.533) 3.935 22.983 ( 4.429 8.282 5.524) 10.896 23.214 ( 1.380 -2.467 2.451) 3.742 ======================= Grid point 20 (13/112) ======================= q-point: ( 0.22 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.464 14.848 0.769) 14.875 1.382 ( -7.590 9.680 -3.269) 12.728 1.520 ( 8.009 15.400 3.597) 17.727 1.898 ( -2.319 0.677 -13.018) 13.240 2.132 ( -2.747 -0.072 -9.119) 9.524 2.246 ( -12.449 -2.767 -8.203) 15.164 2.309 ( -6.187 4.629 -10.815) 13.291 2.505 ( -4.415 -1.369 -2.183) 5.112 2.572 ( -4.161 -0.004 -6.117) 7.398 2.666 ( -8.436 -7.084 -5.397) 12.267 2.820 ( -4.514 -6.864 -2.064) 8.470 2.857 ( -8.691 -6.628 0.362) 10.936 2.901 ( -0.715 3.314 0.172) 3.394 2.962 ( 7.476 -0.300 -6.491) 9.905 3.095 ( -2.583 3.602 -2.375) 5.029 3.119 ( -6.582 -0.976 -6.488) 9.294 3.196 ( -2.450 1.322 -2.275) 3.595 3.312 ( 2.869 0.644 -0.298) 2.955 3.372 ( 0.721 -2.440 -2.990) 3.926 3.518 ( 0.378 -1.018 3.657) 3.815 3.530 ( 0.120 2.032 -3.455) 4.010 3.688 ( -3.516 -1.343 2.392) 4.459 3.704 ( -4.018 -1.559 -3.705) 5.684 3.735 ( -2.780 -2.287 -0.647) 3.657 3.875 ( 0.602 2.140 3.059) 3.781 4.385 ( 6.076 2.471 9.020) 11.153 4.423 ( 4.511 6.149 2.634) 8.069 4.583 ( 4.406 6.146 8.099) 11.080 4.660 ( 6.371 2.868 7.649) 10.359 4.682 ( 6.745 4.965 4.761) 9.635 4.783 ( 0.606 -2.263 2.458) 3.395 4.843 ( 4.242 -0.592 1.285) 4.471 4.945 ( 10.298 -0.426 3.484) 10.880 4.996 ( 5.615 3.438 -2.094) 6.909 5.114 ( -0.986 5.474 10.182) 11.602 5.150 ( 4.415 12.043 1.623) 12.929 5.169 ( 0.417 13.121 0.576) 13.141 5.294 ( 1.700 5.147 5.682) 7.852 5.384 ( 8.085 2.467 -6.030) 10.384 5.431 ( 2.011 -0.552 1.406) 2.516 5.628 ( 3.646 3.387 2.260) 5.466 5.745 ( -1.627 -5.020 4.041) 6.647 5.922 ( 1.673 -9.337 -6.805) 11.674 6.002 ( -2.919 -9.569 1.621) 10.134 6.053 ( 0.541 -3.273 3.212) 4.618 6.156 ( -0.283 -6.847 -2.761) 7.388 6.492 ( -3.413 4.935 -1.973) 6.317 6.576 ( 0.478 6.197 -10.635) 12.318 6.643 ( -2.306 -2.214 0.080) 3.197 6.733 ( -5.060 -1.296 -3.223) 6.138 6.816 ( 2.938 -1.107 -2.418) 3.963 6.884 ( 5.712 -8.934 0.882) 10.641 7.140 ( -3.665 4.747 -0.052) 5.998 7.198 ( -10.801 2.361 11.039) 15.623 7.239 ( -1.365 -0.480 15.794) 15.860 7.317 ( -1.408 0.838 6.684) 6.882 7.469 ( 2.740 5.393 -0.489) 6.069 7.537 ( -1.246 -0.585 6.183) 6.335 7.721 ( 0.753 -1.477 6.304) 6.518 7.828 ( 5.739 -0.576 4.577) 7.364 8.060 ( 2.440 7.441 6.213) 9.996 8.076 ( 2.989 3.473 4.116) 6.160 8.176 ( 1.802 2.647 -4.248) 5.320 8.298 ( 0.716 1.097 7.918) 8.026 8.466 ( -4.860 4.703 -4.288) 8.007 8.529 ( 4.459 -6.578 -2.553) 8.347 8.658 ( 3.603 6.554 0.707) 7.513 8.785 ( 11.413 10.034 -0.058) 15.197 8.997 ( 6.217 -2.113 3.350) 7.372 9.076 ( -1.476 -1.379 1.681) 2.628 9.189 ( -1.205 0.244 -0.941) 1.549 9.259 ( 5.538 6.678 -3.447) 9.335 9.321 ( -4.326 -7.335 -1.416) 8.633 9.449 ( -1.923 -2.110 -10.366) 10.752 9.508 ( -6.112 -8.693 -3.198) 11.097 9.569 ( -1.631 -11.602 2.391) 11.957 9.879 ( 2.410 -3.724 0.365) 4.451 9.918 ( 3.201 0.475 -4.786) 5.778 10.336 ( -5.510 -4.288 1.789) 7.207 10.402 ( -0.720 -0.204 -6.532) 6.575 10.549 ( -5.243 -3.459 -0.477) 6.299 10.642 ( 2.940 -4.696 0.495) 5.563 10.906 ( -1.422 -0.573 -5.738) 5.940 11.060 ( -0.942 -6.056 0.338) 6.138 11.109 ( 1.164 2.750 1.522) 3.352 11.242 ( 0.167 -2.013 3.952) 4.438 11.590 ( -5.679 4.341 -2.941) 7.729 11.805 ( -5.998 -4.404 0.273) 7.447 12.052 ( 5.047 12.174 -0.934) 13.211 12.411 ( -4.385 4.006 -1.348) 6.090 12.618 ( 2.471 2.173 -0.403) 3.315 12.723 ( 4.570 -0.418 -0.484) 4.614 12.924 ( -4.055 -3.511 2.840) 6.069 12.998 ( 1.030 -6.920 0.065) 6.997 13.127 ( -1.276 0.533 -3.406) 3.676 13.301 ( -2.779 -4.113 -4.495) 6.696 15.055 ( 5.862 10.238 3.786) 12.390 15.484 ( -9.713 1.897 -14.079) 17.209 15.618 ( 0.451 -12.409 1.185) 12.474 15.787 ( -4.955 -9.958 -6.295) 12.780 16.348 ( -5.567 1.048 0.635) 5.700 16.390 ( -4.947 -0.632 0.943) 5.076 16.985 ( 2.500 12.526 1.958) 12.923 17.237 ( 11.110 8.174 8.899) 16.415 17.371 ( 3.499 -3.869 5.170) 7.345 17.652 ( -10.088 12.840 -12.325) 20.458 17.810 ( 12.583 -5.877 10.573) 17.455 18.515 ( -9.583 -17.639 -9.522) 22.218 21.493 ( 2.433 0.993 0.218) 2.637 21.505 ( 2.441 0.221 2.135) 3.251 21.561 ( 0.024 2.324 1.735) 2.900 21.595 ( -0.305 1.274 0.008) 1.310 21.754 ( 2.067 0.836 1.155) 2.511 21.793 ( 0.469 -0.408 0.062) 0.625 22.241 ( -3.758 -1.415 -1.233) 4.201 22.245 ( -3.317 -2.771 -1.339) 4.525 22.328 ( -2.177 -0.679 -3.959) 4.569 22.386 ( -0.423 -3.760 -4.348) 5.764 23.141 ( 5.697 7.235 6.461) 11.250 23.269 ( 1.257 1.588 2.675) 3.355 ======================= Grid point 21 (14/112) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -1.297 11.624 -7.996) 14.168 1.295 ( -4.673 9.207 -0.387) 10.332 1.523 ( -5.411 15.663 -15.738) 22.853 1.750 ( -4.869 3.297 -3.967) 7.093 1.930 ( -5.173 -6.946 -10.120) 13.319 2.045 ( -7.338 6.775 -5.678) 11.489 2.139 ( 6.229 0.135 1.121) 6.330 2.374 ( -7.804 -12.692 -9.205) 17.514 2.436 ( -2.786 -4.136 -3.435) 6.056 2.553 ( -4.419 -2.138 4.227) 6.478 2.656 ( -8.583 -14.999 -5.763) 18.217 2.741 ( -2.125 -4.931 -4.068) 6.736 2.825 ( -10.177 3.727 0.212) 10.840 2.932 ( -4.701 -1.482 -7.433) 8.919 2.952 ( -1.403 0.470 -1.978) 2.470 3.035 ( -3.440 -2.879 -0.816) 4.560 3.134 ( 3.612 2.993 -6.109) 7.703 3.253 ( -1.415 -1.927 -5.144) 5.672 3.399 ( -0.944 2.506 -1.166) 2.921 3.434 ( -1.759 1.223 -2.161) 3.043 3.520 ( 1.503 -3.447 -3.621) 5.220 3.608 ( -2.446 -7.030 -0.330) 7.451 3.759 ( 0.520 -2.348 3.595) 4.325 3.801 ( 2.365 -5.147 7.434) 9.346 4.158 ( 14.900 22.270 14.288) 30.367 4.442 ( 0.076 11.661 4.587) 12.530 4.602 ( 2.353 3.203 0.600) 4.019 4.667 ( 5.287 4.779 6.469) 9.625 4.775 ( 4.672 5.672 0.795) 7.391 4.802 ( 1.552 1.399 -0.902) 2.276 4.946 ( 3.887 8.627 4.653) 10.544 4.955 ( 5.680 7.484 12.503) 15.639 5.036 ( 0.741 3.151 2.084) 3.850 5.142 ( 11.087 1.836 -0.517) 11.250 5.185 ( 1.026 13.856 2.807) 14.175 5.236 ( 0.836 0.881 7.758) 7.852 5.262 ( 7.551 5.758 -1.315) 9.586 5.369 ( 0.925 2.844 2.034) 3.617 5.431 ( 5.699 1.202 4.634) 7.443 5.526 ( 10.025 -8.426 -1.627) 13.196 5.722 ( -0.547 2.344 6.526) 6.956 5.761 ( 1.268 -4.946 -2.233) 5.573 5.852 ( 0.045 -5.246 -1.028) 5.346 5.997 ( -1.241 -9.581 1.946) 9.855 6.063 ( -3.246 -2.452 -6.487) 7.657 6.123 ( 2.364 -4.870 -0.092) 5.415 6.363 ( -3.934 6.282 -9.545) 12.086 6.438 ( -1.907 3.814 -5.605) 7.043 6.534 ( -11.351 -1.074 -0.602) 11.418 6.659 ( -2.412 -6.014 -1.978) 6.775 6.801 ( -1.078 -1.586 -3.984) 4.421 6.911 ( 2.994 -5.613 -3.884) 7.453 7.062 ( -6.063 0.891 2.995) 6.821 7.142 ( -6.636 -0.782 1.696) 6.894 7.415 ( -2.105 -0.967 10.105) 10.367 7.448 ( 0.038 2.566 9.877) 10.205 7.524 ( 3.005 8.907 2.101) 9.632 7.640 ( 4.781 6.726 6.436) 10.465 7.799 ( -4.082 0.844 7.771) 8.818 7.966 ( 3.445 -1.663 6.875) 7.867 8.106 ( -3.596 0.942 5.503) 6.641 8.191 ( 5.919 -8.579 -0.522) 10.435 8.266 ( 6.721 2.415 3.349) 7.888 8.393 ( -0.936 5.924 4.132) 7.283 8.416 ( 3.034 5.788 3.225) 7.287 8.523 ( 2.745 -3.848 -5.892) 7.554 8.723 ( 1.776 3.052 4.807) 5.965 8.890 ( 1.634 11.141 1.413) 11.348 9.022 ( 1.728 4.698 -11.624) 12.656 9.074 ( 1.630 0.493 -1.327) 2.159 9.160 ( -7.265 -7.779 3.225) 11.122 9.201 ( -2.586 -4.032 -7.552) 8.943 9.266 ( 1.255 0.438 -2.345) 2.695 9.359 ( 4.753 -4.115 -4.136) 7.525 9.473 ( 7.921 -1.786 0.440) 8.131 9.557 ( -3.619 -9.598 1.036) 10.310 9.870 ( 1.327 3.675 -5.448) 6.704 9.949 ( 3.137 -3.660 2.633) 5.492 10.257 ( -2.058 -2.160 -4.741) 5.601 10.301 ( -3.603 -5.002 -3.890) 7.289 10.437 ( -8.467 -1.263 -0.869) 8.604 10.693 ( 3.343 -7.773 -0.583) 8.481 10.827 ( -2.043 1.138 -2.195) 3.208 11.036 ( -3.692 -9.376 1.828) 10.241 11.154 ( 2.113 5.062 0.982) 5.573 11.308 ( 0.325 -0.269 4.824) 4.842 11.476 ( -3.540 4.083 -3.842) 6.631 11.721 ( -5.047 -5.797 -0.886) 7.737 12.108 ( 3.570 13.629 0.175) 14.089 12.331 ( -3.232 9.493 -1.824) 10.193 12.671 ( 2.569 -0.576 1.613) 3.087 12.774 ( 4.650 -5.923 -1.780) 7.737 12.888 ( -4.331 -0.439 0.875) 4.440 12.992 ( -0.788 -8.933 -1.327) 9.065 13.101 ( 0.332 -1.640 0.445) 1.731 13.211 ( -1.719 -3.821 -3.559) 5.498 15.178 ( -1.852 7.556 -4.236) 8.858 15.196 ( -0.535 7.846 -2.348) 8.208 15.661 ( -1.203 -13.584 -1.437) 13.713 15.686 ( 1.008 -13.397 0.781) 13.457 16.271 ( -4.911 1.425 -1.116) 5.234 16.328 ( -4.278 -0.984 -0.392) 4.408 17.045 ( 2.416 14.260 1.584) 14.550 17.344 ( -6.978 12.534 -5.042) 15.206 17.464 ( 5.628 3.149 3.454) 7.315 17.520 ( 3.744 -3.035 2.973) 5.663 18.058 ( 7.193 -6.154 5.683) 11.041 18.272 ( -7.560 -11.775 -7.277) 15.772 21.535 ( 3.424 1.397 0.008) 3.698 21.552 ( 1.570 0.765 0.472) 1.809 21.588 ( 0.226 1.636 0.503) 1.726 21.614 ( 0.225 0.110 4.505) 4.512 21.786 ( -0.789 1.816 -0.467) 2.035 21.800 ( 2.320 1.336 0.153) 2.682 22.145 ( -3.487 -0.437 -3.681) 5.089 22.171 ( -4.568 -0.785 -2.837) 5.435 22.273 ( -0.935 -5.132 -0.620) 5.253 22.330 ( -0.507 -6.722 -2.535) 7.202 23.290 ( 4.479 5.658 4.681) 8.601 23.316 ( 0.950 4.591 1.979) 5.089 ======================= Grid point 22 (15/112) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( -5.173 12.068 -5.588) 14.269 1.187 ( -5.734 12.617 -10.287) 17.260 1.322 ( 6.769 8.266 0.311) 10.689 1.582 ( -9.183 -2.138 -4.281) 10.355 1.822 ( -1.625 -1.742 -0.624) 2.463 1.926 ( -1.295 2.006 -1.963) 3.091 2.141 ( -5.783 -20.042 -7.363) 22.121 2.200 ( -1.960 -4.711 -2.809) 5.824 2.449 ( 8.206 -1.914 3.703) 9.204 2.566 ( -0.817 -3.431 -0.090) 3.528 2.639 ( -0.664 -1.067 6.469) 6.590 2.678 ( -4.269 -6.291 2.376) 7.965 2.689 ( -4.854 2.825 -1.884) 5.924 2.779 ( -0.191 -2.907 -9.371) 9.814 2.927 ( -1.780 -0.520 2.369) 3.008 2.993 ( -2.881 -0.715 0.253) 2.979 3.112 ( 7.737 1.442 -8.771) 11.785 3.149 ( -6.843 -1.673 -0.002) 7.045 3.356 ( -1.691 5.960 -0.310) 6.203 3.388 ( -0.738 2.154 -1.511) 2.733 3.490 ( 0.361 -1.807 -1.761) 2.549 3.641 ( 0.875 -8.580 2.833) 9.078 3.788 ( 0.763 -2.380 -0.617) 2.574 3.903 ( 1.159 -8.968 2.941) 9.509 4.452 ( 5.497 21.782 6.279) 23.326 4.526 ( 0.310 13.890 3.268) 14.273 4.634 ( 2.004 5.663 0.799) 6.060 4.766 ( 0.683 2.122 -1.231) 2.546 4.797 ( 1.592 5.139 2.485) 5.926 4.861 ( 4.654 9.292 0.212) 10.394 5.046 ( 2.517 3.337 0.256) 4.188 5.052 ( -2.540 11.675 4.994) 12.950 5.108 ( -0.872 6.866 4.101) 8.045 5.167 ( 3.068 10.016 -5.600) 11.879 5.262 ( 0.831 5.837 5.652) 8.167 5.304 ( 4.648 7.124 -3.658) 9.259 5.403 ( 5.753 -1.966 8.134) 10.155 5.470 ( 1.416 -1.000 5.799) 6.053 5.556 ( 4.369 1.956 1.876) 5.142 5.636 ( 4.602 -4.101 -1.477) 6.338 5.680 ( -2.717 -5.623 -4.241) 7.549 5.783 ( -0.099 -1.985 1.806) 2.686 5.866 ( 1.486 2.679 -1.115) 3.260 5.949 ( -1.107 -5.260 -1.145) 5.496 5.998 ( -6.933 -5.240 -0.554) 8.708 6.096 ( 5.480 -9.436 -3.791) 11.552 6.273 ( 3.795 1.879 -2.913) 5.140 6.335 ( -5.346 1.029 -1.697) 5.703 6.369 ( -10.168 -3.123 0.010) 10.637 6.588 ( -2.332 -5.071 -2.051) 5.946 6.723 ( -1.167 -0.382 -2.202) 2.521 6.931 ( 3.662 -5.858 -1.666) 7.106 7.016 ( -5.337 -0.518 2.759) 6.031 7.101 ( -1.255 -2.166 -0.428) 2.540 7.491 ( 0.168 -1.165 3.259) 3.465 7.519 ( 3.244 -0.074 -0.796) 3.341 7.598 ( -3.370 10.852 4.937) 12.389 7.710 ( 2.018 12.295 0.235) 12.462 7.916 ( 2.559 3.179 8.981) 9.865 8.056 ( -1.794 -1.455 -1.583) 2.800 8.126 ( 0.285 -6.764 3.120) 7.454 8.219 ( 0.552 -1.306 1.666) 2.188 8.343 ( -1.342 0.204 1.312) 1.888 8.461 ( 2.093 0.233 -4.575) 5.037 8.513 ( 3.676 -0.298 7.743) 8.576 8.525 ( 2.294 5.642 4.079) 7.331 8.772 ( -0.682 -0.371 -3.449) 3.536 8.885 ( -5.460 5.021 1.238) 7.520 8.893 ( 3.336 6.527 -4.906) 8.821 9.001 ( -3.000 -1.419 -5.023) 6.021 9.074 ( 0.251 0.617 -1.572) 1.708 9.129 ( -1.726 -10.853 -1.465) 11.087 9.339 ( 7.851 0.518 0.063) 7.869 9.383 ( -0.421 1.756 2.230) 2.869 9.490 ( -4.336 -5.690 -0.983) 7.221 9.621 ( 6.384 -4.783 0.173) 7.979 9.817 ( 0.208 4.976 -3.050) 5.840 10.034 ( 3.585 -0.535 3.684) 5.168 10.169 ( -4.950 -5.562 -3.433) 8.198 10.224 ( 3.550 -5.796 -4.189) 7.983 10.325 ( -7.191 1.726 1.120) 7.479 10.696 ( 0.094 -8.297 -1.476) 8.428 10.804 ( -0.089 -0.223 0.310) 0.392 11.015 ( -2.190 -9.287 1.237) 9.622 11.184 ( 0.856 5.557 0.254) 5.628 11.360 ( -2.068 4.011 3.848) 5.931 11.410 ( 1.294 -0.106 -3.227) 3.479 11.660 ( -1.903 -7.039 -0.609) 7.317 12.143 ( 0.987 14.358 0.144) 14.392 12.286 ( -0.867 10.964 -0.625) 11.016 12.709 ( 0.664 -0.279 0.636) 0.961 12.790 ( 0.816 -5.808 -1.295) 6.007 12.862 ( -0.239 -2.985 0.426) 3.025 12.958 ( -0.935 -9.105 -1.106) 9.219 13.118 ( 0.411 -3.290 0.608) 3.371 13.167 ( -0.536 -3.498 -0.794) 3.627 15.017 ( -2.925 9.555 -3.485) 10.583 15.275 ( 2.250 5.854 1.101) 6.368 15.619 ( -0.793 -14.392 -0.615) 14.427 15.740 ( 1.585 -11.607 1.253) 11.782 16.201 ( -2.389 1.780 -0.963) 3.131 16.276 ( -1.926 -1.457 -0.456) 2.457 17.088 ( 1.314 15.402 0.719) 15.474 17.209 ( -3.099 14.338 -2.551) 14.889 17.563 ( 3.580 -6.395 1.016) 7.399 17.587 ( -0.068 -5.335 1.881) 5.658 18.108 ( -2.061 -2.325 -1.956) 3.671 18.196 ( 1.660 -5.324 1.193) 5.703 21.565 ( 0.605 1.486 -0.307) 1.634 21.580 ( 2.047 1.005 0.214) 2.290 21.605 ( 0.274 1.923 1.160) 2.263 21.671 ( 0.309 -0.982 2.067) 2.310 21.761 ( -1.178 3.224 -0.132) 3.435 21.818 ( 0.908 1.134 -0.870) 1.693 22.071 ( -1.249 0.226 -1.440) 1.920 22.084 ( -2.433 0.136 -1.835) 3.050 22.264 ( -0.263 -7.065 0.118) 7.071 22.304 ( -0.159 -8.363 -0.765) 8.400 23.345 ( 0.390 6.014 0.742) 6.072 23.378 ( 1.702 4.511 1.691) 5.109 ======================= Grid point 27 (16/112) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( 0.000 -9.545 0.000) 9.545 1.666 ( 0.000 9.545 0.000) 9.545 1.899 ( 0.000 -24.084 0.000) 24.084 1.899 ( 0.000 24.084 0.000) 24.084 2.358 ( 0.000 -6.227 0.000) 6.227 2.358 ( 0.000 6.227 0.000) 6.227 2.582 ( 0.000 -0.336 0.000) 0.336 2.582 ( 0.000 0.336 0.000) 0.336 2.701 ( 0.000 -4.550 0.000) 4.550 2.701 ( 0.000 4.550 0.000) 4.550 2.938 ( 0.000 -2.838 0.000) 2.838 2.938 ( 0.000 2.838 0.000) 2.838 3.054 ( 0.000 -10.133 0.000) 10.133 3.054 ( 0.000 10.133 0.000) 10.133 3.180 ( 0.000 -6.246 0.000) 6.246 3.180 ( 0.000 6.246 0.000) 6.246 3.363 ( 0.000 -1.319 0.000) 1.319 3.363 ( 0.000 1.319 0.000) 1.319 3.431 ( 0.000 -12.739 0.000) 12.739 3.431 ( 0.000 12.739 0.000) 12.739 3.642 ( 0.000 -0.442 0.000) 0.442 3.642 ( 0.000 0.442 0.000) 0.442 3.888 ( 0.000 -3.174 0.000) 3.174 3.888 ( 0.000 3.174 0.000) 3.174 4.018 ( 0.000 -7.075 0.000) 7.075 4.018 ( 0.000 7.075 0.000) 7.075 4.207 ( 0.000 -2.964 0.000) 2.964 4.207 ( 0.000 2.964 0.000) 2.964 4.423 ( 0.000 -4.150 0.000) 4.150 4.423 ( 0.000 4.150 0.000) 4.150 4.805 ( 0.000 -6.492 0.000) 6.492 4.805 ( 0.000 6.492 0.000) 6.492 4.929 ( 0.000 -3.670 0.000) 3.670 4.929 ( 0.000 3.670 0.000) 3.670 5.193 ( 0.000 -0.464 0.000) 0.464 5.193 ( 0.000 0.464 0.000) 0.464 5.267 ( 0.000 -8.346 0.000) 8.346 5.267 ( 0.000 8.346 0.000) 8.346 5.462 ( 0.000 -3.918 0.000) 3.918 5.462 ( 0.000 3.918 0.000) 3.918 5.658 ( 0.000 -6.082 0.000) 6.082 5.658 ( 0.000 6.082 0.000) 6.082 5.758 ( 0.000 -6.401 0.000) 6.401 5.758 ( 0.000 6.401 0.000) 6.401 5.980 ( 0.000 -2.646 0.000) 2.646 5.980 ( 0.000 2.646 0.000) 2.646 6.572 ( 0.000 -1.287 0.000) 1.287 6.572 ( 0.000 1.287 0.000) 1.287 6.744 ( 0.000 -4.398 0.000) 4.398 6.744 ( 0.000 4.398 0.000) 4.398 6.823 ( 0.000 -3.152 0.000) 3.152 6.823 ( 0.000 3.152 0.000) 3.152 7.029 ( 0.000 -1.673 0.000) 1.673 7.029 ( 0.000 1.673 0.000) 1.673 7.172 ( 0.000 -1.431 0.000) 1.431 7.172 ( 0.000 1.431 0.000) 1.431 7.456 ( 0.000 -5.252 0.000) 5.252 7.456 ( 0.000 5.252 0.000) 5.252 7.690 ( 0.000 -0.344 0.000) 0.344 7.690 ( 0.000 0.344 0.000) 0.344 8.094 ( 0.000 -7.924 0.000) 7.924 8.094 ( 0.000 7.924 0.000) 7.924 8.350 ( 0.000 -6.809 0.000) 6.809 8.350 ( 0.000 6.809 0.000) 6.809 8.428 ( 0.000 -0.002 0.000) 0.002 8.428 ( 0.000 0.002 0.000) 0.002 8.607 ( 0.000 -11.737 0.000) 11.737 8.607 ( 0.000 11.737 0.000) 11.737 8.959 ( 0.000 -12.021 0.000) 12.021 8.959 ( 0.000 12.021 0.000) 12.021 9.246 ( 0.000 -2.020 0.000) 2.020 9.246 ( 0.000 2.020 0.000) 2.020 9.457 ( 0.000 -4.013 0.000) 4.013 9.457 ( 0.000 4.013 0.000) 4.013 9.551 ( 0.000 -9.559 0.000) 9.559 9.551 ( 0.000 9.559 0.000) 9.559 9.841 ( 0.000 -1.945 0.000) 1.945 9.841 ( 0.000 1.945 0.000) 1.945 10.381 ( 0.000 -3.037 0.000) 3.037 10.381 ( 0.000 3.037 0.000) 3.037 10.609 ( 0.000 -2.014 0.000) 2.014 10.609 ( 0.000 2.014 0.000) 2.014 11.029 ( 0.000 -0.414 0.000) 0.414 11.029 ( 0.000 0.414 0.000) 0.414 11.114 ( 0.000 -3.057 0.000) 3.057 11.114 ( 0.000 3.057 0.000) 3.057 11.805 ( 0.000 -4.422 0.000) 4.422 11.805 ( 0.000 4.422 0.000) 4.422 12.216 ( 0.000 -11.661 0.000) 11.661 12.216 ( 0.000 11.661 0.000) 11.661 12.785 ( 0.000 -7.862 0.000) 7.862 12.785 ( 0.000 7.862 0.000) 7.862 12.858 ( 0.000 -4.896 0.000) 4.896 12.858 ( 0.000 4.896 0.000) 4.896 13.323 ( 0.000 -5.255 0.000) 5.255 13.323 ( 0.000 5.255 0.000) 5.255 15.197 ( 0.000 -15.706 0.000) 15.706 15.197 ( 0.000 15.706 0.000) 15.706 16.149 ( 0.000 -0.988 0.000) 0.988 16.149 ( 0.000 0.988 0.000) 0.988 16.459 ( 0.000 -0.262 0.000) 0.262 16.459 ( 0.000 0.262 0.000) 0.262 16.929 ( 0.000 -14.735 0.000) 14.735 16.929 ( 0.000 14.735 0.000) 14.735 17.102 ( 0.000 -7.726 0.000) 7.726 17.102 ( 0.000 7.726 0.000) 7.726 18.445 ( 0.000 -18.421 0.000) 18.421 18.445 ( 0.000 18.421 0.000) 18.421 21.452 ( 0.000 -0.837 0.000) 0.837 21.452 ( 0.000 0.837 0.000) 0.837 21.604 ( 0.000 -1.902 0.000) 1.902 21.604 ( 0.000 1.902 0.000) 1.902 21.713 ( 0.000 -2.503 0.000) 2.503 21.713 ( 0.000 2.503 0.000) 2.503 22.340 ( 0.000 -1.913 0.000) 1.913 22.340 ( 0.000 1.913 0.000) 1.913 22.435 ( 0.000 -1.214 0.000) 1.214 22.435 ( 0.000 1.214 0.000) 1.214 23.066 ( 0.000 -6.736 0.000) 6.736 23.066 ( 0.000 6.736 0.000) 6.736 ======================= Grid point 29 (17/112) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -4.623 -7.060 -1.936) 8.658 1.618 ( -4.623 7.060 -1.936) 8.658 1.835 ( 0.358 -20.844 -7.071) 22.014 1.835 ( 0.358 20.844 -7.071) 22.014 2.306 ( -4.781 -5.850 -3.237) 8.220 2.306 ( -4.781 5.850 -3.237) 8.220 2.539 ( -1.476 -6.279 -3.361) 7.273 2.539 ( -1.476 6.279 -3.361) 7.273 2.713 ( -5.206 -6.666 4.538) 9.599 2.713 ( -5.206 6.666 4.538) 9.599 2.916 ( -4.018 -3.110 -2.503) 5.664 2.916 ( -4.018 3.110 -2.503) 5.664 2.965 ( 2.349 -5.566 -10.823) 12.395 2.965 ( 2.349 5.566 -10.823) 12.395 3.185 ( -0.416 -2.576 0.089) 2.611 3.185 ( -0.416 2.576 0.089) 2.611 3.328 ( 0.327 -2.667 -4.789) 5.491 3.328 ( 0.327 2.667 -4.789) 5.491 3.472 ( -2.969 -4.061 0.941) 5.118 3.472 ( -2.969 4.061 0.941) 5.118 3.670 ( 0.535 -6.798 4.921) 8.409 3.670 ( 0.535 6.798 4.921) 8.409 3.788 ( -4.853 -2.553 -4.237) 6.930 3.788 ( -4.853 2.553 -4.237) 6.930 3.938 ( 0.177 -0.976 -3.336) 3.481 3.938 ( 0.177 0.976 -3.336) 3.481 4.365 ( 7.019 -1.966 12.338) 14.331 4.365 ( 7.019 1.966 12.338) 14.331 4.539 ( 8.261 -5.818 3.815) 10.800 4.539 ( 8.261 5.818 3.815) 10.800 4.779 ( -1.537 -5.463 -2.306) 6.125 4.779 ( -1.537 5.463 -2.306) 6.125 4.909 ( -0.291 -3.898 0.457) 3.935 4.909 ( -0.291 3.898 0.457) 3.935 5.211 ( 2.596 -2.699 0.069) 3.746 5.211 ( 2.596 2.699 0.069) 3.746 5.301 ( 0.758 -7.253 3.149) 7.943 5.301 ( 0.758 7.253 3.149) 7.943 5.477 ( -0.113 -4.908 1.635) 5.175 5.477 ( -0.113 4.908 1.635) 5.175 5.661 ( 4.440 -10.015 -4.177) 11.725 5.661 ( 4.440 10.015 -4.177) 11.725 5.759 ( -1.927 -10.897 2.904) 11.441 5.759 ( -1.927 10.897 2.904) 11.441 6.020 ( 0.215 -4.449 3.738) 5.815 6.020 ( 0.215 4.449 3.738) 5.815 6.594 ( 1.723 -1.473 -0.049) 2.267 6.594 ( 1.723 1.473 -0.049) 2.267 6.733 ( 2.730 -2.338 -3.103) 4.748 6.733 ( 2.730 2.338 -3.103) 4.748 6.813 ( -1.284 -1.809 -1.296) 2.569 6.813 ( -1.284 1.809 -1.296) 2.569 7.075 ( -3.150 -1.060 9.237) 9.817 7.075 ( -3.150 1.060 9.237) 9.817 7.254 ( 4.007 -3.273 6.084) 7.987 7.254 ( 4.007 3.273 6.084) 7.987 7.461 ( 4.064 -3.791 -3.024) 6.327 7.461 ( 4.064 3.791 -3.024) 6.327 7.680 ( -3.721 -1.866 3.570) 5.484 7.680 ( -3.721 1.866 3.570) 5.484 8.125 ( 0.993 -5.547 3.085) 6.425 8.125 ( 0.993 5.547 3.085) 6.425 8.256 ( -5.272 -5.366 -0.118) 7.523 8.256 ( -5.272 5.366 -0.118) 7.523 8.482 ( 0.096 -5.561 -2.142) 5.960 8.482 ( 0.096 5.561 -2.142) 5.960 8.680 ( 11.938 -5.359 1.158) 13.137 8.680 ( 11.938 5.359 1.158) 13.137 8.978 ( 0.280 -12.066 2.143) 12.259 8.978 ( 0.280 12.066 2.143) 12.259 9.244 ( -1.720 -5.941 1.461) 6.355 9.244 ( -1.720 5.941 1.461) 6.355 9.416 ( -4.619 -4.338 -0.834) 6.391 9.416 ( -4.619 4.338 -0.834) 6.391 9.525 ( 1.619 -6.377 -6.102) 8.973 9.525 ( 1.619 6.377 -6.102) 8.973 9.850 ( 1.302 -2.841 0.093) 3.126 9.850 ( 1.302 2.841 0.093) 3.126 10.370 ( -2.585 -3.787 0.558) 4.619 10.370 ( -2.585 3.787 0.558) 4.619 10.599 ( 0.925 -1.555 -2.210) 2.856 10.599 ( 0.925 1.555 -2.210) 2.856 11.006 ( -1.027 -1.775 -2.627) 3.333 11.006 ( -1.027 1.775 -2.627) 3.333 11.128 ( 0.250 -3.518 2.271) 4.195 11.128 ( 0.250 3.518 2.271) 4.195 11.776 ( -3.734 -4.774 -0.364) 6.071 11.776 ( -3.734 4.774 -0.364) 6.071 12.240 ( 2.939 -11.565 0.422) 11.940 12.240 ( 2.939 11.565 0.422) 11.940 12.778 ( -1.483 -5.961 -0.397) 6.156 12.778 ( -1.483 5.961 -0.397) 6.156 12.850 ( 0.272 -5.564 -0.402) 5.586 12.850 ( 0.272 5.564 -0.402) 5.586 13.287 ( -2.132 -5.289 -2.829) 6.366 13.287 ( -2.132 5.289 -2.829) 6.366 15.224 ( 2.499 -15.017 1.459) 15.293 15.224 ( 2.499 15.017 1.459) 15.293 15.935 ( -9.751 -1.817 -14.397) 17.483 15.935 ( -9.751 1.817 -14.397) 17.483 16.422 ( -6.116 -0.827 2.879) 6.810 16.422 ( -6.116 0.827 2.879) 6.810 17.119 ( 3.477 -4.597 4.029) 7.032 17.119 ( 3.477 4.597 4.029) 7.032 17.188 ( 13.636 -9.963 9.364) 19.310 17.188 ( 13.636 9.963 9.364) 19.310 18.336 ( -7.245 -19.862 -7.268) 22.357 18.336 ( -7.245 19.862 -7.268) 22.357 21.466 ( 1.245 -0.485 0.777) 1.546 21.466 ( 1.245 0.485 0.777) 1.546 21.601 ( -0.334 -1.673 0.004) 1.706 21.601 ( -0.334 1.673 0.004) 1.706 21.732 ( 1.506 -2.143 1.135) 2.854 21.732 ( 1.506 2.143 1.135) 2.854 22.293 ( -4.592 -1.394 -0.810) 4.867 22.293 ( -4.592 1.394 -0.810) 4.867 22.415 ( 0.385 -1.139 -4.000) 4.177 22.415 ( 0.385 1.139 -4.000) 4.177 23.128 ( 3.544 -5.698 4.450) 8.052 23.128 ( 3.544 5.698 4.450) 8.052 ======================= Grid point 31 (18/112) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -4.479 -0.673 -3.507) 5.729 1.512 ( -4.479 0.673 -3.507) 5.729 1.800 ( 5.293 -9.855 -3.295) 11.662 1.800 ( 5.293 9.855 -3.295) 11.662 2.137 ( -8.734 -3.644 -7.165) 11.870 2.137 ( -8.734 3.644 -7.165) 11.870 2.448 ( -5.656 -4.560 -4.413) 8.500 2.448 ( -5.656 4.560 -4.413) 8.500 2.634 ( -7.363 -9.435 -15.632) 19.688 2.634 ( -7.363 9.435 -15.632) 19.688 2.671 ( -10.223 -6.521 1.088) 12.174 2.671 ( -10.223 6.521 1.088) 12.174 2.959 ( 3.736 -1.096 -2.613) 4.689 2.959 ( 3.736 1.096 -2.613) 4.689 3.114 ( -6.725 -1.298 -4.887) 8.413 3.114 ( -6.725 1.298 -4.887) 8.413 3.265 ( 1.675 -4.000 -5.508) 7.010 3.265 ( 1.675 4.000 -5.508) 7.010 3.394 ( -1.806 -4.463 -1.503) 5.044 3.394 ( -1.806 4.463 -1.503) 5.044 3.633 ( -4.824 -4.941 -2.876) 7.480 3.633 ( -4.824 4.941 -2.876) 7.480 3.706 ( -3.665 -1.115 1.399) 4.078 3.706 ( -3.665 1.115 1.399) 4.078 4.173 ( 15.646 -18.674 14.779) 28.494 4.173 ( 15.646 18.674 14.779) 28.494 4.599 ( 4.797 -7.026 -1.232) 8.596 4.599 ( 4.797 7.026 -1.232) 8.596 4.683 ( 3.128 -3.969 13.516) 14.430 4.683 ( 3.128 3.969 13.516) 14.430 4.800 ( 5.175 -2.349 4.506) 7.253 4.800 ( 5.175 2.349 4.506) 7.253 4.952 ( 5.876 -4.361 -0.145) 7.319 4.952 ( 5.876 4.361 -0.145) 7.319 5.259 ( 0.287 -3.860 3.704) 5.357 5.259 ( 0.287 3.860 3.704) 5.357 5.359 ( 3.386 -4.421 1.123) 5.681 5.359 ( 3.386 4.421 1.123) 5.681 5.483 ( -1.290 -2.185 0.446) 2.576 5.483 ( -1.290 2.185 0.446) 2.576 5.677 ( 7.397 -9.845 -5.078) 13.320 5.677 ( 7.397 9.845 -5.078) 13.320 5.776 ( -3.025 -8.634 4.136) 10.040 5.776 ( -3.025 8.634 4.136) 10.040 6.059 ( 0.299 -2.902 1.357) 3.218 6.059 ( 0.299 2.902 1.357) 3.218 6.580 ( -2.010 -3.506 -1.521) 4.318 6.580 ( -2.010 3.506 -1.521) 4.318 6.701 ( -3.118 -4.662 -8.109) 9.860 6.701 ( -3.118 4.662 -8.109) 9.860 6.773 ( 4.977 -0.823 -1.995) 5.425 6.773 ( 4.977 0.823 -1.995) 5.425 7.208 ( -6.154 -1.865 11.588) 13.253 7.208 ( -6.154 1.865 11.588) 13.253 7.280 ( -4.722 -4.296 5.624) 8.508 7.280 ( -4.722 4.296 5.624) 8.508 7.543 ( 4.735 -2.544 4.792) 7.201 7.543 ( 4.735 2.544 4.792) 7.201 7.740 ( 4.566 -4.898 4.775) 8.224 7.740 ( 4.566 4.898 4.775) 8.224 8.142 ( -1.716 -3.063 -1.571) 3.846 8.142 ( -1.716 3.063 -1.571) 3.846 8.272 ( 1.989 -9.061 5.669) 10.872 8.272 ( 1.989 9.061 5.669) 10.872 8.438 ( -0.028 -5.161 -1.197) 5.298 8.438 ( -0.028 5.161 -1.197) 5.298 8.870 ( 10.016 -5.897 0.438) 11.631 8.870 ( 10.016 5.897 0.438) 11.631 9.017 ( 0.338 -9.576 3.441) 10.181 9.017 ( 0.338 9.576 3.441) 10.181 9.232 ( -5.890 -5.146 2.744) 8.289 9.232 ( -5.890 5.146 2.744) 8.289 9.341 ( 1.584 -2.021 -4.604) 5.272 9.341 ( 1.584 2.021 -4.604) 5.272 9.426 ( 0.251 -1.699 -8.989) 9.151 9.426 ( 0.251 1.699 -8.989) 9.151 9.881 ( 2.588 -3.405 0.443) 4.300 9.881 ( 2.588 3.405 0.443) 4.300 10.312 ( -5.198 -3.504 -1.354) 6.413 10.312 ( -5.198 3.504 -1.354) 6.413 10.581 ( 0.882 -2.893 -2.636) 4.012 10.581 ( 0.882 2.893 -2.636) 4.012 10.940 ( -2.842 -4.189 -2.360) 5.585 10.940 ( -2.842 4.189 -2.360) 5.585 11.182 ( 1.728 -3.497 3.346) 5.139 11.182 ( 1.728 3.497 3.346) 5.139 11.697 ( -5.891 -5.635 -1.371) 8.267 11.697 ( -5.891 5.635 -1.371) 8.267 12.299 ( 3.619 -10.950 1.152) 11.590 12.299 ( 3.619 10.950 1.152) 11.590 12.732 ( -0.267 -4.953 -3.737) 6.210 12.732 ( -0.267 4.953 -3.737) 6.210 12.864 ( -1.097 -3.050 2.545) 4.121 12.864 ( -1.097 3.050 2.545) 4.121 13.203 ( -2.535 -5.016 -4.087) 6.949 13.203 ( -2.535 5.016 -4.087) 6.949 15.296 ( 4.160 -12.834 1.627) 13.589 15.296 ( 4.160 12.834 1.627) 13.589 15.627 ( -8.805 -6.051 -10.273) 14.821 15.627 ( -8.805 6.051 -10.273) 14.821 16.371 ( -5.288 -1.105 0.868) 5.471 16.371 ( -5.288 1.105 0.868) 5.471 17.206 ( 3.441 -8.700 3.467) 9.978 17.206 ( 3.441 8.700 3.467) 9.978 17.487 ( 9.198 -12.391 6.249) 16.649 17.487 ( 9.198 12.391 6.249) 16.649 18.121 ( -6.888 -19.990 -6.682) 22.174 18.121 ( -6.888 19.990 -6.682) 22.174 21.506 ( 2.363 -0.246 1.238) 2.679 21.506 ( 2.363 0.246 1.238) 2.679 21.599 ( -0.435 -1.001 0.635) 1.263 21.599 ( -0.435 1.001 0.635) 1.263 21.776 ( 2.064 -1.153 1.289) 2.693 21.776 ( 2.064 1.153 1.289) 2.693 22.218 ( -4.631 -0.350 -0.733) 4.702 22.218 ( -4.631 0.350 -0.733) 4.702 22.338 ( -1.460 -1.341 -5.755) 6.087 22.338 ( -1.460 1.341 -5.755) 6.087 23.250 ( 4.028 -3.221 4.952) 7.150 23.250 ( 4.028 3.221 4.952) 7.150 ======================= Grid point 33 (19/112) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -0.326 -2.146 -5.015) 5.464 1.421 ( -0.326 2.146 -5.015) 5.464 1.725 ( -8.538 -7.365 -10.615) 15.486 1.725 ( -8.538 7.365 -10.615) 15.486 1.960 ( -4.947 -17.227 -6.663) 19.121 1.960 ( -4.947 17.227 -6.663) 19.121 2.256 ( -8.634 -9.711 -8.312) 15.425 2.256 ( -8.634 9.711 -8.312) 15.425 2.346 ( -1.287 -7.651 -3.140) 8.369 2.346 ( -1.287 7.651 -3.140) 8.369 2.628 ( -3.103 -4.964 2.187) 6.249 2.628 ( -3.103 4.964 2.187) 6.249 2.905 ( -8.806 -2.741 -4.023) 10.062 2.905 ( -8.806 2.741 -4.023) 10.062 2.975 ( -0.887 -2.143 -1.624) 2.831 2.975 ( -0.887 2.143 -1.624) 2.831 3.206 ( 0.639 -3.060 -6.168) 6.915 3.206 ( 0.639 3.060 -6.168) 6.915 3.417 ( 3.658 -2.199 1.004) 4.385 3.417 ( 3.658 2.199 1.004) 4.385 3.516 ( -2.764 -2.797 -4.612) 6.061 3.516 ( -2.764 2.797 -4.612) 6.061 3.735 ( -0.732 -0.819 4.650) 4.778 3.735 ( -0.732 0.819 4.650) 4.778 4.567 ( 9.520 -9.921 9.590) 16.764 4.567 ( 9.520 9.921 9.590) 16.764 4.637 ( 5.273 -7.243 5.041) 10.280 4.637 ( 5.273 7.243 5.041) 10.280 4.840 ( 3.121 -3.759 4.134) 6.400 4.840 ( 3.121 3.759 4.134) 6.400 4.975 ( 4.622 -3.980 4.691) 7.695 4.975 ( 4.622 3.980 4.691) 7.695 5.093 ( 8.400 -3.291 7.508) 11.737 5.093 ( 8.400 3.291 7.508) 11.737 5.305 ( 0.467 -3.367 1.733) 3.816 5.305 ( 0.467 3.367 1.733) 3.816 5.404 ( 6.852 -2.388 -4.929) 8.772 5.404 ( 6.852 2.388 -4.929) 8.772 5.488 ( -2.518 -4.762 5.957) 8.031 5.488 ( -2.518 4.762 5.957) 8.031 5.728 ( 6.957 -7.486 -2.129) 10.439 5.728 ( 6.957 7.486 -2.129) 10.439 5.788 ( -2.100 -4.207 3.224) 5.701 5.788 ( -2.100 4.207 3.224) 5.701 6.050 ( -1.960 -1.388 -2.032) 3.146 6.050 ( -1.960 1.388 -2.032) 3.146 6.499 ( -8.454 -5.004 -6.678) 11.879 6.499 ( -8.454 5.004 -6.678) 11.879 6.513 ( -2.805 -2.961 -4.870) 6.352 6.513 ( -2.805 2.961 -4.870) 6.352 6.810 ( 4.216 -2.944 -3.471) 6.203 6.810 ( 4.216 2.944 -3.471) 6.203 7.111 ( -8.333 -2.828 0.677) 8.826 7.111 ( -8.333 2.828 0.677) 8.826 7.415 ( -0.373 -1.532 8.355) 8.502 7.415 ( -0.373 1.532 8.355) 8.502 7.711 ( -0.125 -6.960 14.660) 16.229 7.711 ( -0.125 6.960 14.660) 16.229 7.869 ( 6.970 -9.440 1.354) 11.812 7.869 ( 6.970 9.440 1.354) 11.812 8.085 ( -1.773 -0.861 -0.858) 2.150 8.085 ( -1.773 0.861 -0.858) 2.150 8.376 ( 3.699 -7.073 1.273) 8.083 8.376 ( 3.699 7.073 1.273) 8.083 8.483 ( 2.218 -2.679 4.879) 5.992 8.483 ( 2.218 2.679 4.879) 5.992 8.904 ( -2.519 -12.399 -0.605) 12.667 8.904 ( -2.519 12.399 -0.605) 12.667 9.064 ( 0.170 -1.790 -1.258) 2.195 9.064 ( 0.170 1.790 -1.258) 2.195 9.120 ( -4.393 -4.247 -5.806) 8.429 9.120 ( -4.393 4.247 -5.806) 8.429 9.315 ( 0.854 -5.857 -1.000) 6.003 9.315 ( 0.854 5.857 -1.000) 6.003 9.425 ( 9.327 -3.023 -1.790) 9.967 9.425 ( 9.327 3.023 -1.790) 9.967 9.923 ( 2.862 -0.599 -0.080) 2.925 9.923 ( 2.862 0.599 -0.080) 2.925 10.206 ( -5.266 -1.608 -2.642) 6.107 10.206 ( -5.266 1.608 -2.642) 6.107 10.536 ( -1.324 -7.394 -3.560) 8.313 10.536 ( -1.324 7.394 -3.560) 8.313 10.886 ( -3.001 -5.006 0.537) 5.861 10.886 ( -3.001 5.006 0.537) 5.861 11.255 ( 2.218 -4.296 3.041) 5.712 11.255 ( 2.218 4.296 3.041) 5.712 11.591 ( -5.474 -6.459 -2.136) 8.732 11.591 ( -5.474 6.459 -2.136) 8.732 12.357 ( 1.917 -8.639 1.392) 8.958 12.357 ( 1.917 8.639 1.392) 8.958 12.692 ( 1.828 -5.070 -3.409) 6.377 12.692 ( 1.828 5.070 -3.409) 6.377 12.868 ( -2.531 -1.988 1.351) 3.490 12.868 ( -2.531 1.988 1.351) 3.491 13.129 ( -1.204 -3.576 -2.432) 4.489 13.129 ( -1.204 3.576 -2.432) 4.489 15.319 ( -0.783 -1.821 -4.746) 5.143 15.319 ( -0.783 1.821 -4.746) 5.143 15.484 ( -0.266 -2.079 1.011) 2.327 15.484 ( -0.266 2.079 1.011) 2.327 16.302 ( -4.659 -1.490 -0.711) 4.943 16.302 ( -4.659 1.490 -0.711) 4.943 17.299 ( 3.191 -10.080 3.083) 11.013 17.299 ( 3.191 10.080 3.083) 11.013 17.543 ( -1.912 -0.728 -3.576) 4.120 17.543 ( -1.912 0.728 -3.576) 4.120 18.053 ( 1.448 -7.108 1.536) 7.415 18.053 ( 1.448 7.108 1.536) 7.415 21.555 ( 2.865 -0.490 0.399) 2.934 21.555 ( 2.865 0.490 0.399) 2.934 21.612 ( -0.256 -0.564 2.156) 2.243 21.612 ( -0.256 0.564 2.156) 2.243 21.812 ( 1.174 -0.399 0.412) 1.306 21.812 ( 1.174 0.399 0.412) 1.306 22.145 ( -4.142 -0.999 -1.304) 4.456 22.145 ( -4.142 0.999 -1.304) 4.456 22.244 ( -1.406 -1.764 -4.243) 4.805 22.244 ( -1.406 1.764 -4.243) 4.805 23.356 ( 2.915 -0.670 3.449) 4.565 23.356 ( 2.915 0.670 3.449) 4.565 ======================= Grid point 35 (20/112) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -3.107 -6.362 -5.585) 9.017 1.329 ( -3.107 6.362 -5.585) 9.017 1.504 ( -1.115 -8.361 -4.847) 9.729 1.504 ( -1.115 8.361 -4.847) 9.729 1.748 ( -7.220 -11.146 -4.952) 14.173 1.748 ( -7.220 11.146 -4.952) 14.173 2.087 ( -3.787 -7.631 -3.065) 9.054 2.087 ( -3.787 7.631 -3.065) 9.054 2.466 ( 7.677 -4.386 4.586) 9.960 2.466 ( 7.677 4.386 4.586) 9.960 2.616 ( -3.622 -0.643 2.237) 4.306 2.616 ( -3.622 0.643 2.237) 4.306 2.739 ( -3.439 -1.551 -5.829) 6.943 2.739 ( -3.439 1.551 -5.829) 6.943 2.971 ( -2.526 -2.559 3.693) 5.155 2.971 ( -2.526 2.559 3.693) 5.155 3.125 ( 0.519 -0.434 -5.697) 5.737 3.125 ( 0.519 0.434 -5.697) 5.737 3.434 ( -0.351 -2.065 -1.761) 2.736 3.434 ( -0.351 2.065 -1.761) 2.736 3.493 ( 1.429 -5.961 1.259) 6.258 3.493 ( 1.429 5.961 1.259) 6.258 3.773 ( 0.149 -2.492 1.186) 2.764 3.773 ( 0.149 2.492 1.186) 2.764 4.680 ( 2.167 -3.316 3.142) 5.056 4.680 ( 2.167 3.316 3.142) 5.056 4.778 ( 1.014 -1.801 1.424) 2.510 4.778 ( 1.014 1.801 1.424) 2.510 4.947 ( 1.941 -9.147 3.574) 10.010 4.947 ( 1.941 9.147 3.574) 10.010 5.054 ( 2.399 -3.645 0.851) 4.446 5.054 ( 2.399 3.645 0.851) 4.446 5.234 ( 3.986 -1.890 -2.697) 5.171 5.234 ( 3.986 1.890 -2.697) 5.171 5.375 ( 2.600 -8.781 8.897) 12.768 5.375 ( 2.600 8.781 8.897) 12.768 5.467 ( 4.265 -6.420 1.086) 7.784 5.467 ( 4.265 6.420 1.086) 7.784 5.536 ( -0.185 -8.504 1.165) 8.586 5.536 ( -0.185 8.504 1.165) 8.586 5.784 ( -1.021 -6.480 3.163) 7.282 5.784 ( -1.021 6.480 3.163) 7.282 5.805 ( 4.688 -8.376 -4.827) 10.744 5.805 ( 4.688 8.376 -4.827) 10.744 5.956 ( -4.849 -1.709 -1.434) 5.338 5.956 ( -4.849 1.709 -1.434) 5.338 6.319 ( -4.496 -2.224 -3.312) 6.011 6.319 ( -4.496 2.224 -3.312) 6.011 6.421 ( -2.501 -7.360 -2.775) 8.254 6.421 ( -2.501 7.360 -2.775) 8.254 6.797 ( 0.655 -6.073 -2.066) 6.448 6.797 ( 0.655 6.073 -2.066) 6.448 7.052 ( -2.469 -2.890 0.821) 3.889 7.052 ( -2.469 2.890 0.821) 3.889 7.481 ( 0.711 -0.810 1.740) 2.047 7.481 ( 0.711 0.810 1.740) 2.047 7.811 ( -2.891 -6.730 3.528) 8.130 7.811 ( -2.891 6.730 3.528) 8.130 8.005 ( 6.026 -2.541 3.100) 7.238 8.005 ( 6.026 2.541 3.100) 7.238 8.103 ( -0.507 -7.986 3.932) 8.916 8.103 ( -0.507 7.986 3.932) 8.916 8.394 ( 0.495 -4.385 -1.263) 4.590 8.394 ( 0.495 4.385 -1.263) 4.590 8.567 ( 0.810 -2.884 2.112) 3.665 8.567 ( 0.810 2.884 2.112) 3.665 8.847 ( -3.151 -8.755 -0.367) 9.312 8.847 ( -3.151 8.755 -0.367) 9.312 8.980 ( 2.456 -2.520 -6.182) 7.113 8.980 ( 2.456 2.520 -6.182) 7.113 9.043 ( -3.856 -1.935 -0.075) 4.315 9.043 ( -3.856 1.935 -0.075) 4.315 9.370 ( 2.384 -3.688 2.585) 5.096 9.370 ( 2.384 3.688 2.585) 5.096 9.502 ( 3.840 -7.084 -1.528) 8.202 9.502 ( 3.840 7.084 -1.528) 8.202 9.945 ( 0.861 -7.185 -0.733) 7.273 9.945 ( 0.861 7.185 -0.733) 7.273 10.129 ( -1.677 -2.743 -0.886) 3.335 10.129 ( -1.677 2.743 -0.886) 3.335 10.472 ( -1.309 -10.575 -1.940) 10.831 10.472 ( -1.309 10.575 -1.940) 10.831 10.867 ( -1.458 -5.143 0.889) 5.419 10.867 ( -1.458 5.143 0.889) 5.419 11.312 ( 1.101 -5.714 1.451) 5.998 11.312 ( 1.101 5.714 1.451) 5.998 11.510 ( -2.229 -6.984 -1.240) 7.436 11.510 ( -2.229 6.984 -1.240) 7.436 12.384 ( 0.295 -5.803 0.589) 5.841 12.384 ( 0.295 5.803 0.589) 5.841 12.685 ( 1.312 -1.945 -1.248) 2.658 12.685 ( 1.312 1.945 -1.248) 2.658 12.842 ( -1.379 -0.852 -0.208) 1.634 12.842 ( -1.379 0.852 -0.208) 1.634 13.104 ( -0.228 -1.904 -0.299) 1.941 13.104 ( -0.228 1.904 -0.299) 1.941 15.236 ( -1.381 -10.483 -2.446) 10.853 15.236 ( -1.381 10.483 -2.446) 10.853 15.537 ( 1.664 -7.116 1.669) 7.496 15.537 ( 1.664 7.116 1.669) 7.496 16.240 ( -2.194 -1.936 -0.708) 3.010 16.240 ( -2.194 1.936 -0.708) 3.010 17.364 ( 1.461 -10.392 1.395) 10.586 17.364 ( 1.461 10.392 1.395) 10.586 17.455 ( -2.069 -7.553 -2.533) 8.231 17.455 ( -2.069 7.553 -2.533) 8.231 18.109 ( 1.456 -2.526 1.410) 3.239 18.109 ( 1.456 2.526 1.410) 3.239 21.587 ( 1.270 -0.458 -0.074) 1.352 21.587 ( 1.270 0.458 -0.074) 1.352 21.643 ( 0.321 -1.683 1.579) 2.330 21.643 ( 0.321 1.683 1.579) 2.330 21.817 ( -0.128 -1.573 -0.338) 1.614 21.817 ( -0.128 1.573 -0.338) 1.614 22.083 ( -1.754 -0.696 -1.014) 2.143 22.083 ( -1.754 0.696 -1.014) 2.143 22.196 ( -0.446 -1.319 -1.157) 1.810 22.196 ( -0.446 1.319 -1.157) 1.810 23.416 ( 1.075 -0.844 1.227) 1.837 23.416 ( 1.075 0.844 1.227) 1.837 ======================= Grid point 63 (21/112) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 12.108 0.000 18.896) 22.442 0.665 ( -1.136 0.000 29.794) 29.816 1.106 ( -8.435 0.000 52.314) 52.990 1.386 ( 0.148 0.000 -6.782) 6.783 2.060 ( 9.126 0.000 -7.453) 11.783 2.344 ( -5.834 0.000 -11.685) 13.061 2.484 ( 0.924 0.000 -13.819) 13.850 2.561 ( -2.901 0.000 -13.558) 13.865 2.670 ( 0.082 0.000 2.888) 2.889 2.756 ( 1.357 0.000 -0.552) 1.465 2.837 ( 3.916 0.000 -8.715) 9.555 3.042 ( -2.388 0.000 3.770) 4.462 3.044 ( -0.446 0.000 0.429) 0.619 3.112 ( -0.640 0.000 -8.059) 8.084 3.211 ( 0.193 0.000 -4.900) 4.904 3.277 ( -3.716 0.000 1.652) 4.067 3.368 ( -3.868 0.000 -1.684) 4.219 3.441 ( -0.722 0.000 -9.127) 9.156 3.532 ( 6.094 0.000 -8.319) 10.312 3.660 ( 0.399 0.000 3.834) 3.855 3.674 ( -2.489 0.000 -1.756) 3.046 3.694 ( 2.009 0.000 1.473) 2.491 3.745 ( 14.347 0.000 0.122) 14.348 3.813 ( -4.774 0.000 -5.679) 7.419 3.990 ( -5.744 0.000 -4.412) 7.243 4.101 ( 8.895 0.000 -0.481) 8.908 4.209 ( 0.932 0.000 12.816) 12.850 4.329 ( -1.705 0.000 -5.567) 5.822 4.426 ( -5.719 0.000 -5.119) 7.675 4.491 ( 4.321 0.000 2.113) 4.810 4.523 ( -1.166 0.000 1.303) 1.749 4.534 ( -0.040 0.000 8.651) 8.652 4.707 ( -5.603 0.000 3.033) 6.371 4.771 ( 3.267 0.000 9.798) 10.328 4.839 ( -8.664 0.000 17.804) 19.800 4.890 ( -3.415 0.000 -3.432) 4.841 4.950 ( 0.547 0.000 4.206) 4.241 5.120 ( 0.463 0.000 -0.762) 0.891 5.382 ( 2.006 0.000 4.996) 5.384 5.419 ( -2.449 0.000 1.815) 3.049 5.606 ( 5.774 0.000 -1.393) 5.940 5.741 ( 2.489 0.000 -1.161) 2.746 6.027 ( 1.520 0.000 -6.725) 6.895 6.142 ( 4.882 0.000 -1.583) 5.132 6.171 ( 2.672 0.000 -0.005) 2.672 6.284 ( -7.727 0.000 -7.324) 10.646 6.573 ( 6.494 0.000 -7.810) 10.157 6.604 ( -3.067 0.000 -12.330) 12.706 6.729 ( -6.065 0.000 -2.433) 6.535 6.804 ( 0.998 0.000 2.759) 2.934 6.839 ( 1.682 0.000 4.943) 5.221 7.051 ( -11.597 0.000 3.215) 12.035 7.075 ( 4.552 0.000 4.364) 6.306 7.236 ( 0.551 0.000 7.474) 7.495 7.271 ( -3.299 0.000 14.256) 14.633 7.314 ( -7.464 0.000 18.446) 19.899 7.467 ( -3.855 0.000 0.840) 3.945 7.496 ( -0.945 0.000 2.314) 2.499 7.599 ( 7.896 0.000 1.598) 8.056 7.679 ( -2.517 0.000 8.540) 8.903 7.776 ( 7.439 0.000 -0.134) 7.440 7.783 ( 1.087 0.000 1.828) 2.127 7.998 ( 5.624 0.000 -0.733) 5.671 8.092 ( -6.302 0.000 2.409) 6.747 8.220 ( -0.048 0.000 0.413) 0.416 8.440 ( -0.621 0.000 -0.718) 0.949 8.499 ( 14.466 0.000 0.060) 14.466 8.562 ( -0.698 0.000 -3.122) 3.199 8.906 ( -0.729 0.000 -5.809) 5.854 9.063 ( 2.207 0.000 -5.776) 6.183 9.289 ( 5.682 0.000 -3.075) 6.460 9.311 ( -3.252 0.000 -3.053) 4.460 9.446 ( 0.158 0.000 0.082) 0.178 9.694 ( 2.910 0.000 0.875) 3.039 9.761 ( -3.645 0.000 2.333) 4.328 9.877 ( -1.639 0.000 -1.571) 2.270 9.955 ( 1.074 0.000 1.069) 1.515 10.041 ( -6.741 0.000 3.141) 7.437 10.215 ( 3.152 0.000 -4.391) 5.405 10.408 ( 6.343 0.000 1.734) 6.576 10.655 ( 26.054 0.000 -7.941) 27.237 10.841 ( 7.458 0.000 0.909) 7.513 10.979 ( -1.254 0.000 0.091) 1.258 11.115 ( -7.060 0.000 -5.467) 8.929 11.169 ( 5.112 0.000 -0.397) 5.127 11.182 ( -5.887 0.000 -1.498) 6.075 11.685 ( -2.441 0.000 -2.041) 3.182 11.685 ( 0.123 0.000 -1.182) 1.188 12.015 ( -4.576 0.000 2.537) 5.233 12.422 ( 5.493 0.000 -0.038) 5.493 12.672 ( -28.497 0.000 0.723) 28.507 12.771 ( -18.740 0.000 4.707) 19.322 12.891 ( 5.539 0.000 -4.881) 7.383 13.100 ( -1.731 0.000 3.019) 3.480 13.410 ( 0.252 0.000 -5.141) 5.147 13.415 ( -2.352 0.000 -2.891) 3.727 14.667 ( 1.733 0.000 5.347) 5.621 15.798 ( -5.001 0.000 -20.762) 21.356 16.178 ( -0.726 0.000 3.302) 3.381 16.348 ( 8.171 0.000 0.447) 8.184 16.391 ( 0.703 0.000 0.022) 0.703 16.461 ( 5.667 0.000 0.827) 5.727 16.482 ( 7.671 0.000 -0.271) 7.675 16.683 ( -4.364 0.000 17.939) 18.462 17.075 ( -1.135 0.000 -14.018) 14.064 17.316 ( 0.470 0.000 -0.098) 0.480 17.989 ( -0.616 0.000 12.934) 12.948 19.201 ( -1.258 0.000 -9.624) 9.706 21.406 ( 1.146 0.000 1.611) 1.977 21.427 ( -0.069 0.000 -0.606) 0.610 21.496 ( -0.257 0.000 1.275) 1.301 21.509 ( 0.439 0.000 1.553) 1.614 21.781 ( 0.490 0.000 -4.739) 4.764 21.826 ( -0.994 0.000 -0.231) 1.021 22.294 ( 2.218 0.000 1.561) 2.713 22.405 ( -0.233 0.000 -0.141) 0.272 22.485 ( 0.876 0.000 3.205) 3.323 22.607 ( 4.266 0.000 -0.351) 4.280 22.646 ( -0.332 0.000 4.319) 4.332 23.075 ( -4.865 0.000 -3.138) 5.790 ======================= Grid point 64 (22/112) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 13.469 0.000 12.462) 18.349 0.995 ( 7.257 0.000 -2.331) 7.623 1.290 ( -0.337 0.000 5.054) 5.065 1.675 ( -2.551 0.000 29.254) 29.365 1.996 ( -13.929 0.000 3.485) 14.359 2.198 ( 10.720 0.000 -14.031) 17.658 2.222 ( -3.932 0.000 -19.238) 19.636 2.383 ( 3.038 0.000 -9.482) 9.957 2.616 ( 1.025 0.000 -7.960) 8.025 2.719 ( -5.687 0.000 0.882) 5.755 2.828 ( -0.217 0.000 4.770) 4.775 2.943 ( -1.303 0.000 -8.766) 8.862 3.037 ( -9.309 0.000 1.544) 9.437 3.063 ( -6.923 0.000 0.327) 6.931 3.116 ( -2.148 0.000 -1.665) 2.718 3.229 ( -6.607 0.000 7.009) 9.633 3.338 ( -0.922 0.000 0.266) 0.960 3.386 ( 0.349 0.000 2.017) 2.047 3.456 ( 0.247 0.000 -8.495) 8.498 3.590 ( -9.580 0.000 -0.464) 9.591 3.616 ( 0.619 0.000 -4.193) 4.238 3.765 ( 2.314 0.000 2.621) 3.496 3.775 ( -2.140 0.000 -7.260) 7.569 3.879 ( 5.462 0.000 3.564) 6.522 3.943 ( 6.090 0.000 4.512) 7.579 4.138 ( -8.849 0.000 -11.297) 14.350 4.221 ( -5.874 0.000 -7.580) 9.589 4.262 ( 18.310 0.000 -7.752) 19.883 4.419 ( 0.584 0.000 12.255) 12.269 4.557 ( 3.145 0.000 2.190) 3.832 4.593 ( 3.230 0.000 4.845) 5.823 4.668 ( 2.950 0.000 6.321) 6.975 4.701 ( -0.627 0.000 3.910) 3.960 4.814 ( 5.436 0.000 -7.598) 9.342 4.884 ( -1.737 0.000 4.346) 4.680 4.982 ( 6.724 0.000 7.226) 9.871 5.037 ( 2.575 0.000 -4.981) 5.608 5.153 ( 1.546 0.000 5.655) 5.863 5.400 ( 0.224 0.000 3.785) 3.791 5.478 ( 0.257 0.000 7.624) 7.629 5.657 ( 6.796 0.000 -3.589) 7.686 5.773 ( 1.377 0.000 1.870) 2.322 6.021 ( 4.208 0.000 -0.831) 4.289 6.078 ( -3.563 0.000 -7.389) 8.203 6.203 ( 0.296 0.000 2.149) 2.169 6.205 ( 2.482 0.000 1.564) 2.934 6.348 ( -1.587 0.000 -18.511) 18.578 6.501 ( -2.810 0.000 -9.526) 9.932 6.660 ( -1.057 0.000 2.786) 2.980 6.826 ( -5.849 0.000 5.714) 8.177 6.962 ( 0.009 0.000 7.698) 7.698 6.965 ( -5.993 0.000 1.939) 6.299 7.126 ( -3.164 0.000 1.657) 3.572 7.316 ( -0.640 0.000 4.454) 4.500 7.401 ( -1.088 0.000 4.946) 5.064 7.429 ( -2.794 0.000 2.052) 3.467 7.472 ( -4.766 0.000 4.950) 6.872 7.587 ( 1.518 0.000 6.187) 6.371 7.639 ( -5.319 0.000 18.378) 19.133 7.821 ( 3.033 0.000 18.506) 18.753 7.882 ( 1.838 0.000 1.056) 2.120 7.950 ( 14.417 0.000 1.205) 14.467 8.033 ( -3.185 0.000 3.730) 4.904 8.110 ( 11.157 0.000 1.334) 11.236 8.261 ( 0.166 0.000 3.369) 3.373 8.462 ( 4.760 0.000 -4.153) 6.317 8.509 ( 1.845 0.000 -4.487) 4.851 8.623 ( 10.407 0.000 -4.925) 11.513 8.852 ( 1.333 0.000 0.161) 1.342 8.977 ( -1.675 0.000 -8.834) 8.992 9.197 ( -0.465 0.000 -9.786) 9.797 9.285 ( 3.692 0.000 -7.007) 7.920 9.456 ( -1.784 0.000 2.791) 3.312 9.722 ( -1.748 0.000 -0.216) 1.761 9.751 ( -3.592 0.000 3.961) 5.347 9.799 ( -2.473 0.000 -4.328) 4.985 9.970 ( -9.676 0.000 5.443) 11.102 10.027 ( 5.631 0.000 -0.763) 5.682 10.115 ( -1.985 0.000 -9.599) 9.802 10.537 ( 4.321 0.000 5.056) 6.651 10.796 ( 10.807 0.000 -12.924) 16.847 10.926 ( 10.188 0.000 -11.472) 15.342 10.945 ( -1.667 0.000 -2.593) 3.083 10.958 ( -1.244 0.000 0.688) 1.421 11.063 ( -6.672 0.000 -1.497) 6.838 11.263 ( 7.984 0.000 0.901) 8.034 11.605 ( -7.093 0.000 1.220) 7.197 11.663 ( -1.012 0.000 -1.347) 1.685 11.965 ( -7.021 0.000 2.044) 7.312 12.338 ( -24.442 0.000 10.523) 26.611 12.511 ( 7.101 0.000 -0.431) 7.114 12.830 ( 2.653 0.000 5.745) 6.328 12.900 ( 2.352 0.000 -2.032) 3.108 13.124 ( -0.083 0.000 2.742) 2.744 13.333 ( 0.204 0.000 -6.184) 6.187 13.339 ( -2.677 0.000 -3.140) 4.126 14.803 ( 3.732 0.000 8.615) 9.388 15.428 ( -9.571 0.000 -18.043) 20.425 16.229 ( -0.563 0.000 5.114) 5.144 16.353 ( -4.591 0.000 -0.683) 4.641 16.366 ( -1.716 0.000 0.198) 1.728 16.473 ( -0.671 0.000 -0.179) 0.694 16.517 ( 0.518 0.000 -1.763) 1.838 16.830 ( -5.699 0.000 -13.546) 14.696 16.970 ( 9.421 0.000 14.024) 16.894 17.397 ( 9.989 0.000 -0.889) 10.029 18.167 ( -0.886 0.000 13.758) 13.786 18.975 ( -7.565 0.000 -14.082) 15.985 21.424 ( 1.185 0.000 -0.859) 1.464 21.453 ( 3.613 0.000 -0.040) 3.613 21.516 ( 0.051 0.000 1.805) 1.806 21.561 ( 0.547 0.000 4.840) 4.871 21.723 ( 0.402 0.000 -3.520) 3.543 21.798 ( -1.283 0.000 -1.673) 2.108 22.277 ( -4.519 0.000 -0.351) 4.532 22.354 ( -5.407 0.000 -1.228) 5.545 22.551 ( 1.946 0.000 1.471) 2.439 22.639 ( 1.692 0.000 -0.696) 1.830 22.756 ( 5.673 0.000 6.883) 8.919 23.022 ( 1.403 0.000 -2.447) 2.821 ======================= Grid point 65 (23/112) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 4.889 0.000 -18.727) 19.355 1.062 ( 5.185 0.000 -1.310) 5.348 1.517 ( 1.622 0.000 14.510) 14.601 1.583 ( -20.444 0.000 -6.784) 21.541 1.926 ( -11.723 0.000 11.314) 16.292 1.974 ( -0.129 0.000 -11.335) 11.336 2.158 ( 2.748 0.000 -4.204) 5.023 2.378 ( 3.314 0.000 -6.765) 7.533 2.576 ( 4.324 0.000 -3.767) 5.734 2.674 ( -1.144 0.000 -2.764) 2.992 2.837 ( -9.389 0.000 4.349) 10.347 2.863 ( -11.844 0.000 2.488) 12.103 2.975 ( 0.599 0.000 5.623) 5.655 2.982 ( -2.700 0.000 1.443) 3.061 3.076 ( -2.662 0.000 -0.564) 2.722 3.248 ( -9.671 0.000 8.827) 13.094 3.320 ( -3.056 0.000 0.208) 3.063 3.337 ( -2.024 0.000 -6.136) 6.461 3.351 ( -5.898 0.000 -0.357) 5.908 3.535 ( -3.332 0.000 -5.443) 6.382 3.542 ( -2.982 0.000 -5.969) 6.672 3.586 ( 0.771 0.000 -7.203) 7.244 3.828 ( 1.189 0.000 5.697) 5.820 3.929 ( -2.211 0.000 -1.082) 2.462 4.050 ( 4.188 0.000 -0.172) 4.192 4.057 ( 7.411 0.000 6.341) 9.754 4.082 ( -0.023 0.000 -6.466) 6.466 4.387 ( 17.559 0.000 -8.897) 19.684 4.559 ( -1.280 0.000 8.443) 8.540 4.634 ( 4.214 0.000 0.218) 4.220 4.678 ( 0.521 0.000 3.068) 3.112 4.739 ( 4.173 0.000 2.768) 5.008 4.777 ( 4.786 0.000 -8.313) 9.593 4.845 ( 0.700 0.000 6.146) 6.186 4.937 ( 6.968 0.000 -2.417) 7.375 4.967 ( 3.012 0.000 1.564) 3.394 5.157 ( 9.251 0.000 2.591) 9.607 5.345 ( 10.655 0.000 8.801) 13.820 5.515 ( 5.082 0.000 3.436) 6.135 5.610 ( 5.396 0.000 6.875) 8.740 5.697 ( 4.104 0.000 -2.331) 4.720 5.816 ( 1.917 0.000 0.775) 2.068 5.976 ( -0.711 0.000 -4.108) 4.169 6.050 ( -4.172 0.000 -13.887) 14.501 6.079 ( 1.052 0.000 -0.011) 1.052 6.265 ( -0.869 0.000 3.894) 3.990 6.273 ( 3.592 0.000 1.927) 4.076 6.279 ( -8.147 0.000 -10.108) 12.983 6.708 ( 0.641 0.000 1.611) 1.734 6.811 ( -9.274 0.000 7.421) 11.878 6.916 ( -1.374 0.000 -1.354) 1.929 6.989 ( -7.948 0.000 1.586) 8.105 7.056 ( -6.859 0.000 1.015) 6.934 7.319 ( -6.927 0.000 5.526) 8.862 7.404 ( -4.198 0.000 2.317) 4.795 7.420 ( 0.760 0.000 0.190) 0.783 7.475 ( -2.175 0.000 4.184) 4.715 7.640 ( 3.634 0.000 -2.232) 4.265 7.875 ( 0.768 0.000 -0.177) 0.788 7.876 ( 0.403 0.000 17.351) 17.356 8.135 ( 12.063 0.000 -1.296) 12.133 8.160 ( 8.320 0.000 2.980) 8.837 8.168 ( 2.940 0.000 16.184) 16.449 8.271 ( 0.655 0.000 1.052) 1.239 8.335 ( 6.739 0.000 9.307) 11.491 8.432 ( 5.038 0.000 -0.938) 5.125 8.499 ( 6.124 0.000 -5.824) 8.451 8.675 ( 7.820 0.000 -11.066) 13.550 8.816 ( -2.835 0.000 -4.720) 5.506 8.977 ( 7.873 0.000 7.094) 10.598 9.060 ( -1.339 0.000 -7.123) 7.247 9.204 ( 1.102 0.000 -10.228) 10.287 9.482 ( -2.957 0.000 7.308) 7.883 9.623 ( -7.767 0.000 -3.470) 8.507 9.700 ( -2.720 0.000 -5.186) 5.856 9.739 ( -5.222 0.000 0.278) 5.229 9.911 ( -6.729 0.000 3.607) 7.635 9.961 ( -1.665 0.000 -6.630) 6.836 10.100 ( 6.069 0.000 -1.247) 6.196 10.616 ( -4.510 0.000 5.562) 7.161 10.633 ( 0.316 0.000 -14.127) 14.130 10.839 ( -5.135 0.000 -5.565) 7.572 10.951 ( 3.064 0.000 -5.788) 6.549 10.989 ( 10.945 0.000 -4.374) 11.787 11.035 ( 1.720 0.000 3.521) 3.919 11.392 ( 7.390 0.000 0.777) 7.431 11.555 ( -5.058 0.000 5.110) 7.190 11.614 ( -3.411 0.000 -1.742) 3.830 11.887 ( -8.389 0.000 2.254) 8.686 12.203 ( -15.615 0.000 8.355) 17.710 12.585 ( 8.099 0.000 -4.502) 9.266 12.896 ( -2.800 0.000 1.923) 3.396 12.951 ( 3.400 0.000 5.319) 6.312 13.166 ( 3.145 0.000 -0.838) 3.255 13.266 ( -2.534 0.000 -2.071) 3.273 13.274 ( 0.037 0.000 -1.359) 1.360 14.980 ( 3.410 0.000 9.375) 9.976 15.076 ( -9.616 0.000 -13.565) 16.628 16.251 ( -5.778 0.000 -1.020) 5.868 16.299 ( -1.730 0.000 5.167) 5.449 16.330 ( -3.252 0.000 -0.254) 3.262 16.466 ( -0.077 0.000 -0.124) 0.146 16.486 ( -0.692 0.000 -2.282) 2.385 16.589 ( -5.995 0.000 -8.997) 10.812 17.280 ( 11.713 0.000 10.337) 15.622 17.526 ( 11.556 0.000 -2.874) 11.908 18.322 ( -2.892 0.000 12.775) 13.098 18.639 ( -11.470 0.000 -15.227) 19.063 21.441 ( 2.803 0.000 -0.431) 2.836 21.489 ( 3.315 0.000 -1.854) 3.798 21.543 ( 0.087 0.000 1.840) 1.842 21.637 ( 0.863 0.000 3.969) 4.061 21.718 ( 2.164 0.000 0.394) 2.200 21.747 ( -1.484 0.000 -2.974) 3.323 22.190 ( -6.242 0.000 -0.807) 6.294 22.242 ( -6.806 0.000 -2.173) 7.145 22.580 ( 0.375 0.000 0.967) 1.037 22.646 ( 0.595 0.000 -0.488) 0.769 22.945 ( 7.733 0.000 5.932) 9.746 23.022 ( 2.757 0.000 -2.223) 3.542 ======================= Grid point 66 (24/112) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 14.289 0.000 0.973) 14.322 0.952 ( -3.004 0.000 -10.234) 10.666 1.253 ( -15.824 0.000 -1.745) 15.920 1.670 ( -4.794 0.000 11.276) 12.253 1.863 ( -13.336 0.000 4.859) 14.194 1.929 ( 4.869 0.000 -2.213) 5.348 2.195 ( -1.264 0.000 4.114) 4.303 2.314 ( 5.533 0.000 -8.322) 9.993 2.593 ( 0.760 0.000 -7.532) 7.570 2.595 ( 1.440 0.000 0.107) 1.444 2.756 ( -9.869 0.000 5.834) 11.464 2.768 ( -3.090 0.000 1.585) 3.473 2.941 ( -10.347 0.000 0.995) 10.395 2.989 ( -3.196 0.000 4.747) 5.723 3.002 ( -2.645 0.000 -5.803) 6.377 3.192 ( -6.287 0.000 2.450) 6.747 3.234 ( -5.144 0.000 -1.377) 5.325 3.269 ( -0.814 0.000 -0.576) 0.998 3.291 ( -8.340 0.000 2.068) 8.593 3.335 ( -6.341 0.000 -5.062) 8.114 3.503 ( -0.936 0.000 3.609) 3.729 3.585 ( 4.013 0.000 -2.899) 4.950 3.860 ( -0.741 0.000 0.340) 0.815 4.033 ( 3.117 0.000 -4.418) 5.407 4.057 ( 11.086 0.000 -13.516) 17.481 4.153 ( 12.521 0.000 13.253) 18.232 4.246 ( 5.648 0.000 7.222) 9.168 4.470 ( 10.494 0.000 -8.793) 13.691 4.614 ( -3.481 0.000 5.053) 6.136 4.664 ( -4.176 0.000 -1.671) 4.498 4.668 ( 4.395 0.000 -3.743) 5.773 4.758 ( 4.584 0.000 -3.162) 5.569 4.804 ( 1.126 0.000 -1.341) 1.751 4.880 ( 1.056 0.000 6.290) 6.378 5.088 ( 4.382 0.000 6.218) 7.607 5.144 ( 8.841 0.000 8.255) 12.096 5.329 ( 11.180 0.000 1.194) 11.244 5.567 ( 0.490 0.000 -3.457) 3.491 5.568 ( 4.655 0.000 4.182) 6.257 5.691 ( 1.952 0.000 -4.789) 5.172 5.791 ( 0.869 0.000 -8.711) 8.754 5.795 ( 6.708 0.000 5.861) 8.908 5.885 ( 3.217 0.000 -0.996) 3.367 5.918 ( -0.949 0.000 -3.377) 3.508 6.058 ( -1.860 0.000 -6.959) 7.204 6.114 ( 1.820 0.000 0.879) 2.022 6.274 ( -7.020 0.000 4.567) 8.375 6.353 ( 3.436 0.000 1.945) 3.949 6.651 ( -5.303 0.000 -3.100) 6.142 6.751 ( -14.402 0.000 3.092) 14.730 6.810 ( -11.748 0.000 -0.181) 11.750 6.946 ( 6.259 0.000 0.620) 6.289 7.014 ( -2.567 0.000 1.129) 2.804 7.279 ( -1.760 0.000 -4.038) 4.405 7.358 ( -7.347 0.000 2.091) 7.639 7.472 ( -1.983 0.000 7.472) 7.731 7.519 ( -0.411 0.000 4.015) 4.035 7.641 ( 3.380 0.000 -3.674) 4.993 7.917 ( 4.365 0.000 0.138) 4.367 8.087 ( 1.352 0.000 9.453) 9.549 8.132 ( 4.951 0.000 -12.858) 13.779 8.144 ( -1.194 0.000 -3.802) 3.985 8.326 ( 0.953 0.000 3.930) 4.044 8.375 ( 4.217 0.000 -1.968) 4.654 8.430 ( 5.842 0.000 0.845) 5.903 8.481 ( 3.561 0.000 -15.702) 16.101 8.574 ( 9.889 0.000 -0.242) 9.892 8.749 ( 6.166 0.000 19.475) 20.428 8.791 ( -3.868 0.000 0.963) 3.986 9.037 ( 3.958 0.000 1.673) 4.297 9.046 ( -0.350 0.000 -11.650) 11.655 9.181 ( 4.384 0.000 7.438) 8.634 9.454 ( -8.041 0.000 -3.991) 8.977 9.591 ( -4.649 0.000 -1.933) 5.035 9.604 ( 2.489 0.000 9.992) 10.297 9.623 ( -4.602 0.000 -3.686) 5.897 9.896 ( -0.766 0.000 1.906) 2.054 9.909 ( -0.305 0.000 -1.373) 1.407 10.142 ( 5.489 0.000 -4.949) 7.391 10.489 ( 3.159 0.000 -9.926) 10.417 10.579 ( -10.976 0.000 6.245) 12.628 10.691 ( -5.927 0.000 -3.973) 7.135 10.908 ( 2.465 0.000 -5.239) 5.790 11.067 ( 8.537 0.000 -4.133) 9.485 11.168 ( 6.366 0.000 5.762) 8.587 11.434 ( -1.492 0.000 0.758) 1.673 11.518 ( -6.146 0.000 -2.567) 6.660 11.638 ( 5.581 0.000 4.488) 7.162 11.796 ( -9.363 0.000 2.209) 9.620 12.122 ( -12.914 0.000 8.639) 15.537 12.610 ( 7.965 0.000 -7.716) 11.090 12.882 ( -4.504 0.000 3.746) 5.858 13.049 ( 1.558 0.000 3.515) 3.845 13.170 ( 3.622 0.000 -4.189) 5.537 13.221 ( -1.800 0.000 0.109) 1.803 13.302 ( -1.030 0.000 4.353) 4.473 14.829 ( -5.019 0.000 -7.077) 8.676 15.125 ( 0.029 0.000 7.729) 7.730 16.157 ( -3.645 0.000 -1.946) 4.132 16.281 ( -2.580 0.000 -0.633) 2.657 16.344 ( -3.478 0.000 5.788) 6.752 16.403 ( -1.701 0.000 -5.735) 5.982 16.465 ( 0.074 0.000 -0.168) 0.184 16.483 ( -1.351 0.000 -0.443) 1.422 17.567 ( 11.816 0.000 7.509) 14.000 17.615 ( 10.254 0.000 -6.419) 12.097 18.285 ( -10.846 0.000 -12.587) 16.615 18.428 ( -6.099 0.000 11.776) 13.262 21.491 ( 4.300 0.000 0.460) 4.325 21.500 ( 1.844 0.000 -1.323) 2.270 21.559 ( -0.200 0.000 0.434) 0.477 21.678 ( 3.077 0.000 -1.964) 3.650 21.684 ( -1.758 0.000 -2.636) 3.169 21.774 ( 0.428 0.000 4.232) 4.254 22.107 ( -5.012 0.000 0.881) 5.089 22.132 ( -5.114 0.000 -1.096) 5.230 22.592 ( -0.052 0.000 0.462) 0.465 22.645 ( 0.464 0.000 -0.662) 0.809 23.028 ( 2.620 0.000 -2.631) 3.713 23.097 ( 4.619 0.000 3.137) 5.584 ======================= Grid point 67 (25/112) ======================= q-point: ( 0.44 0.00 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 3.520 0.000 5.897) 6.868 1.087 ( 8.351 0.000 7.591) 11.285 1.121 ( -3.441 0.000 4.101) 5.353 1.656 ( -12.392 0.000 7.479) 14.474 1.771 ( -7.336 0.000 3.334) 8.058 1.983 ( 6.552 0.000 -1.549) 6.732 2.192 ( -5.346 0.000 3.099) 6.179 2.308 ( 3.799 0.000 -4.832) 6.147 2.556 ( 4.824 0.000 -0.615) 4.863 2.643 ( -0.643 0.000 4.796) 4.839 2.771 ( -2.243 0.000 8.910) 9.188 2.774 ( 1.360 0.000 -0.077) 1.362 2.807 ( -6.872 0.000 1.054) 6.953 2.967 ( 6.012 0.000 -3.887) 7.159 2.999 ( -5.209 0.000 4.010) 6.574 3.149 ( -5.729 0.000 0.532) 5.753 3.186 ( -4.700 0.000 4.437) 6.464 3.226 ( 5.365 0.000 3.177) 6.235 3.281 ( -0.326 0.000 2.939) 2.957 3.287 ( -6.432 0.000 4.684) 7.956 3.545 ( -1.917 0.000 5.377) 5.708 3.623 ( 3.229 0.000 1.199) 3.444 3.850 ( 0.632 0.000 -1.797) 1.905 4.004 ( 12.672 0.000 -18.177) 22.158 4.032 ( 3.065 0.000 -2.266) 3.812 4.306 ( -4.467 0.000 -1.517) 4.717 4.342 ( -3.702 0.000 -3.874) 5.358 4.488 ( 8.800 0.000 -8.464) 12.210 4.568 ( -3.679 0.000 -0.335) 3.695 4.625 ( -2.303 0.000 4.024) 4.637 4.650 ( 3.614 0.000 -3.425) 4.979 4.800 ( 3.929 0.000 0.997) 4.053 4.817 ( -1.298 0.000 0.823) 1.537 4.907 ( 0.116 0.000 -4.536) 4.537 5.171 ( -4.853 0.000 2.289) 5.366 5.299 ( -2.618 0.000 5.197) 5.819 5.422 ( 1.509 0.000 -2.508) 2.927 5.471 ( 4.778 0.000 -5.022) 6.932 5.579 ( -2.002 0.000 -4.962) 5.351 5.612 ( 1.850 0.000 -6.654) 6.907 5.853 ( 1.431 0.000 -3.362) 3.654 5.880 ( 2.936 0.000 13.223) 13.545 5.932 ( 8.802 0.000 -4.808) 10.029 5.943 ( 6.660 0.000 2.583) 7.143 6.041 ( 0.571 0.000 -2.484) 2.549 6.171 ( 4.115 0.000 1.854) 4.513 6.247 ( -6.227 0.000 7.289) 9.587 6.396 ( 2.795 0.000 -3.919) 4.814 6.520 ( -13.585 0.000 -1.155) 13.634 6.608 ( 1.235 0.000 4.633) 4.794 6.738 ( -6.602 0.000 4.772) 8.146 6.952 ( -4.231 0.000 -3.012) 5.194 7.076 ( 10.079 0.000 -0.201) 10.081 7.162 ( -0.323 0.000 -10.999) 11.004 7.265 ( -9.600 0.000 1.784) 9.764 7.496 ( -2.328 0.000 0.918) 2.502 7.519 ( -3.585 0.000 -1.802) 4.013 7.677 ( 2.858 0.000 2.036) 3.509 7.892 ( 0.242 0.000 -10.594) 10.597 7.988 ( -3.985 0.000 -11.185) 11.873 8.122 ( 8.788 0.000 -1.534) 8.921 8.197 ( 3.169 0.000 -0.009) 3.169 8.299 ( -0.812 0.000 -7.253) 7.298 8.310 ( 3.140 0.000 -11.888) 12.295 8.432 ( 6.429 0.000 -1.313) 6.562 8.435 ( -3.287 0.000 -3.279) 4.643 8.752 ( 6.705 0.000 2.732) 7.240 8.799 ( -2.673 0.000 11.485) 11.792 8.857 ( -3.133 0.000 -3.177) 4.462 9.105 ( 5.722 0.000 12.454) 13.706 9.114 ( -0.229 0.000 3.123) 3.132 9.266 ( -5.147 0.000 6.384) 8.200 9.337 ( -2.089 0.000 -1.118) 2.370 9.533 ( -1.466 0.000 0.569) 1.572 9.609 ( 4.142 0.000 3.213) 5.242 9.734 ( -3.736 0.000 4.918) 6.176 9.880 ( 0.814 0.000 -3.174) 3.277 9.937 ( -2.260 0.000 3.143) 3.871 10.123 ( 9.745 0.000 -8.581) 12.984 10.460 ( 7.348 0.000 -5.099) 8.944 10.512 ( -12.662 0.000 6.957) 14.447 10.622 ( 1.670 0.000 1.050) 1.973 10.890 ( 2.679 0.000 -2.521) 3.679 11.106 ( 7.177 0.000 -5.762) 9.204 11.268 ( -2.646 0.000 -0.892) 2.792 11.409 ( -2.538 0.000 -0.239) 2.549 11.442 ( 0.527 0.000 2.974) 3.020 11.681 ( -4.716 0.000 -3.071) 5.628 11.784 ( 1.305 0.000 7.674) 7.784 12.089 ( -11.377 0.000 11.095) 15.892 12.604 ( 7.434 0.000 -8.420) 11.232 12.881 ( -3.642 0.000 4.251) 5.598 13.075 ( -1.275 0.000 0.256) 1.300 13.166 ( 3.202 0.000 -3.516) 4.755 13.226 ( -1.047 0.000 3.155) 3.324 13.324 ( -3.111 0.000 3.017) 4.334 14.775 ( 3.188 0.000 1.437) 3.497 15.170 ( -5.422 0.000 3.977) 6.724 16.119 ( 0.353 0.000 0.015) 0.353 16.249 ( -0.439 0.000 -0.801) 0.913 16.352 ( -5.106 0.000 3.967) 6.466 16.364 ( 3.099 0.000 -1.039) 3.269 16.465 ( -0.055 0.000 0.112) 0.125 16.477 ( -0.096 0.000 0.689) 0.696 17.626 ( 7.395 0.000 -9.804) 12.280 17.687 ( -2.283 0.000 -6.287) 6.688 18.148 ( 6.229 0.000 4.123) 7.470 18.469 ( -9.499 0.000 9.806) 13.652 21.510 ( 1.458 0.000 -0.486) 1.537 21.525 ( 0.967 0.000 -2.629) 2.801 21.574 ( 0.625 0.000 1.272) 1.418 21.643 ( 0.444 0.000 -0.208) 0.490 21.664 ( 1.352 0.000 -4.556) 4.752 21.819 ( -1.523 0.000 2.606) 3.018 22.096 ( -1.899 0.000 4.742) 5.108 22.098 ( -0.763 0.000 2.654) 2.762 22.591 ( -0.367 0.000 -0.130) 0.390 22.641 ( 0.551 0.000 -0.951) 1.099 23.018 ( 2.359 0.000 -3.954) 4.604 23.138 ( -0.764 0.000 -1.384) 1.581 ======================= Grid point 68 (26/112) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 0.897 0.000 -1.110) 1.427 1.183 ( -0.487 0.000 1.182) 1.278 1.356 ( 11.373 0.000 17.686) 21.027 1.625 ( -15.726 0.000 13.707) 20.861 1.768 ( -3.814 0.000 4.529) 5.921 2.100 ( 7.039 0.000 6.457) 9.552 2.160 ( 2.596 0.000 1.508) 3.002 2.311 ( 7.818 0.000 -3.513) 8.571 2.655 ( -1.512 0.000 -0.155) 1.520 2.663 ( 2.947 0.000 5.530) 6.266 2.760 ( -5.565 0.000 -0.321) 5.575 2.808 ( -4.226 0.000 7.573) 8.672 2.897 ( 2.436 0.000 6.204) 6.666 3.011 ( 1.500 0.000 1.092) 1.855 3.033 ( 9.910 0.000 -3.696) 10.576 3.135 ( -4.429 0.000 4.535) 6.339 3.213 ( -5.280 0.000 7.477) 9.153 3.271 ( -2.991 0.000 3.524) 4.622 3.344 ( 3.066 0.000 4.607) 5.534 3.388 ( 9.486 0.000 3.831) 10.230 3.619 ( -0.264 0.000 9.096) 9.099 3.675 ( 1.251 0.000 -0.205) 1.268 3.833 ( 0.586 0.000 -1.362) 1.483 3.926 ( 7.287 0.000 -12.165) 14.181 4.000 ( -4.488 0.000 -6.900) 8.231 4.122 ( -5.393 0.000 -0.963) 5.478 4.161 ( -6.426 0.000 -6.652) 9.249 4.434 ( 5.870 0.000 -10.837) 12.325 4.490 ( -4.270 0.000 -5.096) 6.649 4.666 ( 0.396 0.000 1.666) 1.712 4.702 ( 3.000 0.000 0.622) 3.064 4.725 ( -4.728 0.000 -7.024) 8.467 4.815 ( -0.012 0.000 -8.789) 8.789 4.892 ( 4.247 0.000 3.695) 5.630 5.012 ( -8.021 0.000 -4.577) 9.235 5.312 ( -6.164 0.000 -7.189) 9.470 5.345 ( -7.072 0.000 11.592) 13.579 5.428 ( -4.547 0.000 -7.915) 9.128 5.521 ( -2.272 0.000 -10.341) 10.588 5.539 ( 3.781 0.000 0.633) 3.834 5.883 ( 6.109 0.000 1.221) 6.229 5.887 ( -2.475 0.000 -5.806) 6.312 5.962 ( -4.776 0.000 -1.843) 5.119 6.076 ( 7.043 0.000 0.774) 7.085 6.120 ( -0.163 0.000 3.810) 3.813 6.265 ( -1.439 0.000 7.338) 7.477 6.312 ( 5.685 0.000 -0.787) 5.739 6.322 ( 0.377 0.000 9.027) 9.034 6.454 ( 0.477 0.000 0.119) 0.491 6.754 ( -0.336 0.000 7.339) 7.346 6.784 ( 3.893 0.000 5.305) 6.580 6.853 ( 1.415 0.000 -2.395) 2.782 6.982 ( 0.814 0.000 -15.296) 15.317 7.140 ( -7.754 0.000 0.697) 7.785 7.209 ( 5.963 0.000 -0.489) 5.983 7.386 ( -2.724 0.000 -9.240) 9.633 7.483 ( 1.399 0.000 -1.186) 1.834 7.689 ( 0.524 0.000 -12.685) 12.696 7.748 ( -1.483 0.000 0.297) 1.512 7.749 ( -6.194 0.000 -11.890) 13.407 8.105 ( 1.898 0.000 -13.525) 13.657 8.159 ( -8.284 0.000 -5.755) 10.087 8.171 ( 2.262 0.000 -11.688) 11.905 8.263 ( 3.759 0.000 0.058) 3.759 8.417 ( 4.208 0.000 5.694) 7.080 8.485 ( 2.584 0.000 -1.292) 2.889 8.772 ( -6.513 0.000 -0.803) 6.563 8.840 ( 0.916 0.000 1.491) 1.750 8.959 ( -0.598 0.000 12.945) 12.958 9.147 ( -1.846 0.000 7.692) 7.910 9.229 ( -10.122 0.000 4.856) 11.226 9.312 ( 0.518 0.000 9.024) 9.038 9.397 ( 8.066 0.000 2.785) 8.534 9.487 ( -8.513 0.000 -5.636) 10.209 9.653 ( -3.462 0.000 1.721) 3.867 9.710 ( -0.549 0.000 1.001) 1.141 9.901 ( -3.738 0.000 2.887) 4.723 9.921 ( 10.730 0.000 2.241) 10.962 10.210 ( 12.214 0.000 -7.059) 14.107 10.432 ( -10.193 0.000 5.866) 11.761 10.538 ( 12.014 0.000 -3.754) 12.587 10.759 ( 7.784 0.000 6.867) 10.380 10.908 ( 1.814 0.000 0.145) 1.820 11.119 ( 8.308 0.000 -7.394) 11.122 11.142 ( -7.603 0.000 -2.600) 8.035 11.350 ( -1.732 0.000 -4.389) 4.718 11.550 ( 4.009 0.000 4.251) 5.843 11.581 ( -6.917 0.000 1.158) 7.013 11.889 ( 0.528 0.000 5.603) 5.628 12.113 ( -9.347 0.000 13.474) 16.399 12.582 ( 6.147 0.000 -8.980) 10.883 12.885 ( -2.652 0.000 2.403) 3.579 13.037 ( -3.753 0.000 -0.348) 3.769 13.149 ( 1.140 0.000 -3.873) 4.037 13.262 ( -0.551 0.000 3.557) 3.599 13.330 ( -0.805 0.000 3.127) 3.229 14.948 ( 10.788 0.000 9.114) 14.122 15.086 ( -9.835 0.000 -0.373) 9.842 16.157 ( 2.863 0.000 1.557) 3.259 16.253 ( 1.891 0.000 -0.423) 1.938 16.317 ( -5.493 0.000 1.957) 5.832 16.433 ( 5.472 0.000 -0.104) 5.473 16.463 ( -0.272 0.000 -0.150) 0.311 16.516 ( 3.504 0.000 3.955) 5.284 17.452 ( -9.969 0.000 -10.708) 14.630 17.559 ( 4.044 0.000 -11.182) 11.891 18.431 ( -12.229 0.000 6.651) 13.921 18.444 ( 15.484 0.000 11.664) 19.385 21.494 ( 0.835 0.000 -2.937) 3.054 21.522 ( 1.717 0.000 -1.752) 2.454 21.547 ( -3.683 0.000 0.055) 3.683 21.608 ( -1.181 0.000 -2.653) 2.904 21.709 ( 4.058 0.000 2.282) 4.656 21.795 ( -3.340 0.000 -0.673) 3.408 22.177 ( 0.100 0.000 8.306) 8.306 22.179 ( 2.491 0.000 6.562) 7.019 22.580 ( -0.601 0.000 -0.351) 0.696 22.635 ( 0.717 0.000 -1.187) 1.387 22.987 ( 2.784 0.000 -5.507) 6.171 23.040 ( -5.328 0.000 -6.534) 8.431 ======================= Grid point 69 (27/112) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -8.039 0.000 -6.481) 10.326 1.188 ( 4.359 0.000 -4.588) 6.329 1.371 ( -21.963 0.000 -6.847) 23.006 1.716 ( 0.874 0.000 13.592) 13.620 1.935 ( -2.195 0.000 23.263) 23.366 2.294 ( 10.507 0.000 -2.547) 10.812 2.336 ( 9.462 0.000 3.267) 10.010 2.419 ( 1.456 0.000 4.916) 5.127 2.530 ( -2.320 0.000 -8.671) 8.976 2.714 ( 4.473 0.000 8.053) 9.212 2.760 ( 1.558 0.000 3.994) 4.287 2.821 ( -4.775 0.000 4.370) 6.473 3.018 ( 4.049 0.000 6.235) 7.434 3.022 ( -1.020 0.000 -0.334) 1.073 3.115 ( -7.056 0.000 6.538) 9.620 3.127 ( 10.021 0.000 -1.961) 10.211 3.215 ( -5.086 0.000 4.835) 7.018 3.308 ( 2.937 0.000 0.326) 2.955 3.473 ( 4.852 0.000 4.782) 6.812 3.481 ( 1.097 0.000 -4.792) 4.916 3.693 ( 4.877 0.000 0.543) 4.907 3.701 ( 0.777 0.000 -1.795) 1.956 3.806 ( -3.911 0.000 2.883) 4.859 3.883 ( 1.843 0.000 -4.722) 5.069 4.012 ( -3.465 0.000 -2.501) 4.273 4.065 ( 9.204 0.000 13.232) 16.118 4.132 ( 2.772 0.000 -0.353) 2.794 4.334 ( -3.774 0.000 -6.514) 7.528 4.384 ( 4.958 0.000 -10.773) 11.859 4.560 ( -3.429 0.000 -7.722) 8.449 4.622 ( -2.062 0.000 -8.435) 8.684 4.665 ( -2.235 0.000 -0.037) 2.236 4.775 ( 2.038 0.000 -0.666) 2.144 4.920 ( -5.953 0.000 4.715) 7.594 4.991 ( 1.737 0.000 3.232) 3.670 5.113 ( -8.508 0.000 -5.278) 10.012 5.270 ( -7.179 0.000 -3.278) 7.892 5.309 ( -3.768 0.000 -11.550) 12.149 5.367 ( -10.401 0.000 7.126) 12.608 5.513 ( -7.309 0.000 -5.260) 9.005 5.722 ( -3.664 0.000 -4.477) 5.785 5.850 ( -5.462 0.000 -3.741) 6.621 6.030 ( 6.586 0.000 4.552) 8.006 6.072 ( 3.222 0.000 -6.491) 7.247 6.148 ( 3.891 0.000 -0.187) 3.895 6.282 ( -6.395 0.000 1.867) 6.662 6.419 ( 10.635 0.000 -3.630) 11.238 6.467 ( 5.346 0.000 4.514) 6.997 6.605 ( 1.401 0.000 14.993) 15.058 6.701 ( -3.224 0.000 -1.313) 3.481 6.819 ( 2.435 0.000 -8.477) 8.820 6.946 ( 9.722 0.000 2.047) 9.935 6.983 ( 4.505 0.000 2.485) 5.145 7.041 ( -6.987 0.000 0.544) 7.008 7.174 ( 3.647 0.000 -11.149) 11.730 7.320 ( 2.624 0.000 -0.416) 2.657 7.476 ( 1.912 0.000 -7.616) 7.852 7.528 ( 0.607 0.000 -4.775) 4.813 7.543 ( -8.017 0.000 -3.424) 8.718 7.732 ( -4.655 0.000 1.197) 4.806 7.889 ( -3.960 0.000 -14.410) 14.944 8.002 ( -5.208 0.000 -1.996) 5.578 8.035 ( 1.694 0.000 -11.629) 11.752 8.299 ( -1.793 0.000 1.579) 2.389 8.479 ( 3.115 0.000 -3.803) 4.916 8.560 ( -2.708 0.000 2.835) 3.920 8.651 ( -8.177 0.000 4.559) 9.362 8.822 ( -2.388 0.000 -1.126) 2.640 9.002 ( -19.642 0.000 -3.464) 19.946 9.110 ( -2.165 0.000 13.047) 13.225 9.285 ( 2.895 0.000 8.318) 8.807 9.357 ( 1.222 0.000 -1.024) 1.594 9.378 ( -1.498 0.000 0.891) 1.743 9.575 ( 9.681 0.000 3.381) 10.254 9.651 ( -1.564 0.000 -4.728) 4.980 9.707 ( 6.284 0.000 -0.359) 6.294 9.921 ( -3.382 0.000 6.437) 7.272 10.155 ( 10.073 0.000 7.428) 12.516 10.205 ( 0.494 0.000 -5.037) 5.061 10.408 ( -1.561 0.000 0.953) 1.829 10.655 ( 14.523 0.000 -7.187) 16.204 10.926 ( 0.683 0.000 -0.725) 0.996 10.949 ( 5.426 0.000 4.255) 6.895 11.050 ( -3.993 0.000 3.704) 5.446 11.143 ( 9.834 0.000 -7.666) 12.469 11.252 ( -0.990 0.000 -6.376) 6.453 11.544 ( -3.840 0.000 4.757) 6.114 11.641 ( 2.490 0.000 2.570) 3.579 11.953 ( -1.503 0.000 5.352) 5.559 12.198 ( -8.886 0.000 18.126) 20.187 12.520 ( 2.860 0.000 -9.182) 9.617 12.878 ( 1.289 0.000 -1.678) 2.116 12.964 ( -7.136 0.000 0.644) 7.165 13.105 ( -0.817 0.000 -2.134) 2.285 13.309 ( 1.243 0.000 2.683) 2.957 13.386 ( 1.637 0.000 3.379) 3.755 14.916 ( -10.830 0.000 -2.837) 11.195 15.285 ( 15.713 0.000 12.901) 20.331 16.210 ( 1.504 0.000 0.110) 1.508 16.269 ( -3.205 0.000 0.889) 3.326 16.275 ( 2.636 0.000 -1.549) 3.057 16.453 ( -0.216 0.000 -0.798) 0.826 16.470 ( 2.611 0.000 -1.661) 3.094 16.701 ( 11.320 0.000 6.428) 13.017 17.166 ( -12.662 0.000 -8.384) 15.186 17.451 ( 1.333 0.000 -9.545) 9.638 18.318 ( -13.883 0.000 3.321) 14.275 18.814 ( 15.500 0.000 10.239) 18.577 21.475 ( 1.160 0.000 -1.997) 2.309 21.482 ( -0.279 0.000 -4.764) 4.772 21.501 ( -3.353 0.000 0.589) 3.405 21.590 ( -2.161 0.000 1.928) 2.896 21.736 ( -1.115 0.000 -1.925) 2.224 21.782 ( 2.196 0.000 1.988) 2.963 22.300 ( -0.412 0.000 9.225) 9.234 22.312 ( 2.120 0.000 7.521) 7.814 22.569 ( -0.663 0.000 0.141) 0.678 22.627 ( 0.934 0.000 -1.798) 2.026 22.836 ( -7.318 0.000 -9.878) 12.293 22.957 ( 4.153 0.000 -5.339) 6.764 ======================= Grid point 70 (28/112) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -19.598 0.000 -0.663) 19.609 0.868 ( -28.643 0.000 -6.339) 29.336 1.286 ( 8.697 0.000 -1.669) 8.856 1.398 ( -44.081 0.000 -6.915) 44.620 2.135 ( 0.210 0.000 1.120) 1.140 2.390 ( 11.312 0.000 1.528) 11.415 2.409 ( 17.405 0.000 -0.766) 17.422 2.631 ( 7.695 0.000 3.926) 8.639 2.647 ( 4.145 0.000 6.434) 7.654 2.764 ( -8.385 0.000 2.019) 8.624 2.812 ( 1.584 0.000 -8.118) 8.271 2.849 ( 8.178 0.000 1.431) 8.303 3.115 ( 7.312 0.000 6.350) 9.684 3.124 ( -1.536 0.000 4.904) 5.139 3.221 ( 1.230 0.000 17.024) 17.069 3.250 ( 10.357 0.000 -1.830) 10.517 3.272 ( 3.064 0.000 7.969) 8.538 3.315 ( 3.738 0.000 -5.170) 6.380 3.437 ( 0.887 0.000 0.085) 0.891 3.565 ( 4.396 0.000 -2.619) 5.118 3.659 ( 0.678 0.000 -2.618) 2.704 3.715 ( 1.388 0.000 0.576) 1.503 3.802 ( -4.284 0.000 2.001) 4.728 3.892 ( 4.335 0.000 -2.657) 5.085 4.006 ( -0.489 0.000 4.257) 4.285 4.085 ( -2.046 0.000 -3.257) 3.846 4.182 ( -0.549 0.000 -21.233) 21.240 4.252 ( 6.528 0.000 -0.031) 6.528 4.434 ( -3.093 0.000 -2.958) 4.280 4.443 ( 4.225 0.000 11.544) 12.293 4.575 ( -1.570 0.000 1.219) 1.987 4.600 ( -5.397 0.000 -1.030) 5.495 4.767 ( -1.247 0.000 -0.860) 1.515 4.910 ( -14.722 0.000 2.148) 14.878 4.934 ( -11.234 0.000 10.429) 15.329 5.033 ( 1.304 0.000 -3.489) 3.724 5.149 ( -20.715 0.000 -3.495) 21.008 5.159 ( -2.797 0.000 -1.296) 3.082 5.201 ( 0.274 0.000 0.571) 0.633 5.354 ( -1.415 0.000 -3.556) 3.828 5.705 ( 2.696 0.000 -1.093) 2.909 5.717 ( -4.171 0.000 -5.842) 7.178 6.063 ( 8.089 0.000 -5.970) 10.053 6.135 ( 2.729 0.000 -0.439) 2.764 6.196 ( -4.747 0.000 -1.180) 4.892 6.203 ( 2.954 0.000 2.040) 3.590 6.507 ( 1.126 0.000 -3.894) 4.054 6.551 ( 10.562 0.000 0.209) 10.564 6.670 ( -0.035 0.000 -1.011) 1.011 6.745 ( 5.197 0.000 4.868) 7.121 6.859 ( 0.048 0.000 -15.716) 15.716 6.933 ( 0.887 0.000 14.936) 14.962 6.983 ( -4.117 0.000 2.789) 4.973 7.043 ( 3.945 0.000 -2.268) 4.551 7.265 ( 4.895 0.000 4.680) 6.772 7.328 ( -2.089 0.000 1.700) 2.693 7.340 ( -8.888 0.000 -5.624) 10.518 7.444 ( -3.444 0.000 2.881) 4.490 7.530 ( 1.522 0.000 -0.349) 1.561 7.647 ( -5.377 0.000 -2.383) 5.881 7.722 ( 4.613 0.000 -8.177) 9.388 7.918 ( 3.294 0.000 -10.721) 11.215 7.936 ( -3.584 0.000 0.896) 3.695 8.223 ( -9.852 0.000 -0.356) 9.859 8.340 ( -17.823 0.000 -1.339) 17.873 8.508 ( 5.035 0.000 -0.787) 5.096 8.651 ( -10.818 0.000 2.249) 11.050 8.768 ( -2.078 0.000 -2.333) 3.124 8.868 ( 4.226 0.000 1.570) 4.508 9.260 ( -0.702 0.000 11.553) 11.575 9.327 ( -0.310 0.000 -5.557) 5.565 9.378 ( -0.009 0.000 0.062) 0.063 9.396 ( 3.851 0.000 -0.005) 3.851 9.585 ( 2.756 0.000 -3.765) 4.666 9.717 ( 4.385 0.000 2.814) 5.210 9.787 ( 5.172 0.000 0.265) 5.179 9.963 ( -3.081 0.000 5.666) 6.450 10.134 ( -3.558 0.000 -1.444) 3.840 10.349 ( 6.704 0.000 3.693) 7.654 10.380 ( 0.040 0.000 -3.398) 3.398 10.712 ( 11.881 0.000 -12.239) 17.057 10.853 ( 2.174 0.000 -16.287) 16.432 10.977 ( -0.508 0.000 0.609) 0.793 11.141 ( 3.920 0.000 -6.950) 7.979 11.156 ( 1.552 0.000 7.584) 7.741 11.211 ( -0.068 0.000 2.445) 2.446 11.606 ( 3.631 0.000 3.623) 5.129 11.688 ( 0.956 0.000 0.880) 1.299 11.998 ( -2.052 0.000 4.765) 5.188 12.415 ( -6.419 0.000 33.486) 34.096 12.430 ( 1.434 0.000 -7.471) 7.608 12.874 ( -9.889 0.000 4.937) 11.053 12.878 ( 4.911 0.000 -4.735) 6.822 13.081 ( -1.203 0.000 0.682) 1.383 13.360 ( 2.237 0.000 0.759) 2.362 13.443 ( 1.491 0.000 1.316) 1.989 14.741 ( -8.432 0.000 -2.615) 8.828 15.698 ( 18.848 0.000 12.171) 22.436 16.184 ( -2.401 0.000 -0.832) 2.541 16.256 ( 0.910 0.000 -3.333) 3.455 16.261 ( 2.379 0.000 -7.158) 7.543 16.437 ( -0.259 0.000 -0.951) 0.986 16.466 ( 1.744 0.000 -3.373) 3.798 16.889 ( -16.123 0.000 -2.693) 16.346 16.957 ( 13.954 0.000 4.495) 14.660 17.361 ( -0.244 0.000 -3.844) 3.852 18.153 ( -13.387 0.000 0.307) 13.391 19.111 ( 12.025 0.000 4.903) 12.986 21.419 ( -1.249 0.000 -2.424) 2.727 21.461 ( -0.920 0.000 -0.648) 1.126 21.481 ( -0.744 0.000 0.679) 1.007 21.556 ( -4.050 0.000 -0.082) 4.051 21.748 ( 4.218 0.000 -0.249) 4.225 21.822 ( 0.415 0.000 1.319) 1.383 22.383 ( -1.152 0.000 3.223) 3.423 22.418 ( -0.124 0.000 5.490) 5.491 22.563 ( -3.893 0.000 0.436) 3.917 22.601 ( 0.928 0.000 -4.354) 4.452 22.611 ( -3.352 0.000 -7.940) 8.619 22.983 ( 4.267 0.000 1.883) 4.665 ======================= Grid point 71 (29/112) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( -25.847 0.000 3.558) 26.090 0.495 ( -27.500 0.000 16.175) 31.904 0.809 ( -43.150 0.000 29.155) 52.077 1.389 ( 4.832 0.000 0.830) 4.902 2.070 ( 9.698 0.000 -14.732) 17.638 2.550 ( -7.962 0.000 5.013) 9.408 2.613 ( 3.683 0.000 -6.687) 7.634 2.624 ( 6.934 0.000 -4.950) 8.520 2.645 ( 6.344 0.000 -3.338) 7.168 2.741 ( -0.694 0.000 0.570) 0.898 2.792 ( -0.596 0.000 4.777) 4.814 2.989 ( 5.338 0.000 2.391) 5.848 3.167 ( 0.952 0.000 -8.630) 8.682 3.174 ( 4.206 0.000 -0.538) 4.241 3.271 ( 4.661 0.000 -13.685) 14.457 3.317 ( -0.220 0.000 -3.023) 3.031 3.396 ( 13.452 0.000 -2.316) 13.650 3.418 ( -1.436 0.000 6.498) 6.655 3.543 ( 10.400 0.000 3.271) 10.903 3.549 ( 5.936 0.000 -8.211) 10.132 3.662 ( 0.367 0.000 1.343) 1.392 3.737 ( -5.324 0.000 0.273) 5.331 3.807 ( -2.970 0.000 -16.509) 16.774 3.840 ( 2.763 0.000 3.327) 4.325 3.980 ( 6.520 0.000 -2.349) 6.930 4.084 ( -2.850 0.000 6.885) 7.452 4.099 ( 2.779 0.000 4.226) 5.058 4.338 ( 5.310 0.000 -0.753) 5.363 4.426 ( -2.987 0.000 7.377) 7.959 4.475 ( -0.662 0.000 0.861) 1.086 4.490 ( -10.449 0.000 -0.026) 10.449 4.581 ( -4.772 0.000 3.722) 6.052 4.701 ( -13.956 0.000 -0.244) 13.958 4.741 ( -6.144 0.000 6.000) 8.588 4.795 ( -18.923 0.000 8.401) 20.704 4.969 ( -7.926 0.000 3.334) 8.599 5.055 ( -0.185 0.000 -2.195) 2.202 5.123 ( -0.584 0.000 -4.554) 4.592 5.248 ( 4.342 0.000 2.739) 5.133 5.371 ( 3.866 0.000 1.581) 4.177 5.593 ( 0.145 0.000 -5.295) 5.297 5.726 ( 3.056 0.000 -1.883) 3.589 6.101 ( 0.194 0.000 -0.301) 0.358 6.116 ( 0.517 0.000 -0.485) 0.709 6.122 ( 2.062 0.000 -3.653) 4.195 6.362 ( 5.778 0.000 7.769) 9.682 6.535 ( 3.779 0.000 13.268) 13.796 6.652 ( 4.272 0.000 -1.299) 4.465 6.678 ( 4.549 0.000 -11.338) 12.217 6.714 ( 4.830 0.000 3.311) 5.856 6.882 ( 3.515 0.000 6.021) 6.972 6.955 ( -5.095 0.000 -10.590) 11.752 7.052 ( 1.616 0.000 10.028) 10.158 7.122 ( 0.069 0.000 10.195) 10.196 7.182 ( -6.604 0.000 5.939) 8.882 7.250 ( -7.783 0.000 8.890) 11.815 7.333 ( -4.494 0.000 2.728) 5.257 7.527 ( -3.165 0.000 -0.549) 3.212 7.596 ( -3.573 0.000 6.865) 7.739 7.633 ( 13.437 0.000 7.288) 15.286 7.730 ( 7.956 0.000 -6.293) 10.144 7.785 ( -3.054 0.000 -13.309) 13.655 7.940 ( 1.849 0.000 1.473) 2.364 8.093 ( -8.217 0.000 6.443) 10.442 8.151 ( -7.609 0.000 -0.208) 7.612 8.520 ( -9.714 0.000 0.930) 9.758 8.543 ( -0.858 0.000 -1.922) 2.104 8.661 ( -4.704 0.000 -9.818) 10.887 8.952 ( 3.677 0.000 -1.538) 3.986 9.245 ( -6.933 0.000 -13.768) 15.415 9.263 ( 3.214 0.000 -4.700) 5.694 9.362 ( -3.472 0.000 4.839) 5.956 9.437 ( 2.133 0.000 -0.401) 2.170 9.631 ( 5.444 0.000 -0.013) 5.444 9.782 ( -0.088 0.000 2.299) 2.301 9.854 ( 3.742 0.000 0.536) 3.780 9.973 ( -3.208 0.000 1.659) 3.612 10.081 ( -5.127 0.000 2.412) 5.667 10.349 ( 2.891 0.000 -2.666) 3.932 10.350 ( -10.144 0.000 -26.422) 28.302 10.468 ( 7.110 0.000 -3.414) 7.887 10.767 ( 3.354 0.000 -1.004) 3.501 10.983 ( -0.544 0.000 0.925) 1.073 11.127 ( 3.112 0.000 -2.027) 3.713 11.224 ( -3.303 0.000 0.608) 3.359 11.230 ( -2.070 0.000 3.132) 3.755 11.693 ( 4.824 0.000 -1.096) 4.947 11.695 ( 0.233 0.000 -0.625) 0.667 12.022 ( -2.966 0.000 3.775) 4.801 12.383 ( 3.150 0.000 -3.510) 4.716 12.716 ( -2.076 0.000 2.768) 3.460 12.883 ( 6.100 0.000 -5.665) 8.325 13.085 ( -1.507 0.000 2.387) 2.823 13.171 ( 13.196 0.000 24.117) 27.492 13.381 ( 2.200 0.000 4.251) 4.787 13.454 ( 0.755 0.000 -2.047) 2.182 14.632 ( -3.344 0.000 -0.768) 3.431 16.045 ( 14.852 0.000 -12.280) 19.272 16.110 ( -2.410 0.000 -4.630) 5.220 16.157 ( 0.306 0.000 3.016) 3.032 16.202 ( 1.010 0.000 4.886) 4.989 16.424 ( -0.728 0.000 0.119) 0.737 16.441 ( -0.021 0.000 -0.948) 0.948 16.688 ( -16.464 0.000 7.135) 17.944 17.148 ( 10.059 0.000 -3.827) 10.762 17.360 ( -1.461 0.000 3.411) 3.710 17.969 ( -8.302 0.000 -4.509) 9.448 19.253 ( 5.901 0.000 -2.545) 6.426 21.390 ( -0.843 0.000 0.343) 0.910 21.441 ( -1.098 0.000 -0.148) 1.108 21.486 ( -0.238 0.000 0.848) 0.880 21.510 ( -1.634 0.000 -0.331) 1.667 21.800 ( 3.993 0.000 -1.973) 4.454 21.833 ( -0.554 0.000 0.685) 0.881 22.295 ( -3.571 0.000 -9.142) 9.814 22.424 ( -1.354 0.000 -4.229) 4.441 22.465 ( -3.620 0.000 4.036) 5.422 22.565 ( -0.374 0.000 0.738) 0.828 22.609 ( -0.232 0.000 2.579) 2.589 23.126 ( 4.096 0.000 5.651) 6.979 ======================= Grid point 72 (30/112) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 3.108 26.919 9.098) 28.585 0.882 ( -3.866 19.163 20.439) 28.283 1.466 ( -1.247 8.869 -5.964) 10.761 1.655 ( -2.381 39.991 30.827) 50.549 2.077 ( 8.056 0.603 -10.344) 13.124 2.309 ( -4.574 -3.658 -15.578) 16.643 2.499 ( -1.745 -0.479 -11.791) 11.929 2.574 ( -0.475 1.171 -7.632) 7.736 2.685 ( 1.621 1.240 -0.120) 2.044 2.724 ( 2.170 -3.783 -2.606) 5.080 2.809 ( 1.483 -0.565 -6.767) 6.950 2.921 ( 1.674 -7.303 0.533) 7.512 3.061 ( -0.841 -2.615 -0.244) 2.758 3.131 ( -1.087 1.380 -7.460) 7.664 3.197 ( -4.947 -0.760 0.389) 5.020 3.227 ( 1.395 -4.070 -4.228) 6.032 3.269 ( 6.973 -12.335 -2.748) 14.433 3.411 ( -5.132 -2.181 -1.357) 5.739 3.423 ( 1.250 -0.875 -1.581) 2.197 3.523 ( 2.845 -6.771 -0.378) 7.354 3.653 ( -7.993 2.539 -3.225) 8.985 3.698 ( 0.494 1.015 0.819) 1.394 3.851 ( 11.678 6.449 -1.869) 13.471 3.965 ( -2.161 -2.787 -3.036) 4.653 4.130 ( -4.965 0.718 -7.955) 9.405 4.150 ( -1.264 9.025 -5.061) 10.424 4.241 ( 0.185 2.282 9.270) 9.548 4.303 ( 1.336 1.969 -0.662) 2.470 4.429 ( -4.546 -0.568 3.261) 5.624 4.452 ( 4.166 -0.320 -0.004) 4.178 4.596 ( 3.787 8.138 5.777) 10.674 4.650 ( 1.579 8.266 4.886) 9.731 4.779 ( -2.551 0.529 8.894) 9.267 4.823 ( -1.522 7.315 5.997) 9.581 4.843 ( -3.080 6.553 -0.271) 7.245 4.921 ( -1.371 0.025 3.643) 3.892 5.006 ( -5.070 5.617 -0.291) 7.572 5.207 ( 3.158 6.648 0.341) 7.368 5.288 ( 0.872 -4.755 6.159) 7.830 5.409 ( -2.561 -0.642 0.973) 2.814 5.562 ( 3.634 -2.427 -2.028) 4.818 5.769 ( 1.805 0.224 3.610) 4.042 6.005 ( 1.363 -2.441 -4.738) 5.501 6.081 ( 2.678 -4.059 -0.278) 4.871 6.217 ( 4.187 1.970 -4.193) 6.245 6.313 ( -4.730 0.525 -5.109) 6.983 6.532 ( -0.495 -6.335 -4.861) 8.000 6.592 ( -1.359 0.571 -4.772) 4.995 6.662 ( 1.272 2.191 -3.632) 4.428 6.748 ( 0.003 -5.365 5.629) 7.776 6.854 ( -0.619 -6.361 1.043) 6.476 6.966 ( 1.701 -7.426 6.011) 9.704 7.077 ( -4.198 3.202 3.927) 6.580 7.177 ( -1.785 -1.316 9.339) 9.598 7.292 ( -2.494 1.272 5.378) 6.063 7.305 ( -3.901 -1.233 14.147) 14.726 7.405 ( -3.012 -1.581 7.433) 8.174 7.572 ( 3.908 -0.123 -1.116) 4.066 7.695 ( -2.723 4.704 7.050) 8.902 7.758 ( -2.065 -0.066 3.662) 4.204 7.836 ( 2.503 13.961 2.302) 14.369 7.893 ( -1.740 7.419 1.441) 7.755 8.064 ( 1.576 4.727 0.126) 4.984 8.129 ( 4.863 4.802 4.429) 8.144 8.277 ( 5.629 4.555 -0.196) 7.243 8.424 ( -0.661 -0.298 -1.419) 1.594 8.547 ( -0.977 -1.090 -2.404) 2.815 8.572 ( 2.368 4.774 -6.211) 8.184 8.881 ( 1.762 -0.089 -1.970) 2.645 9.092 ( 2.926 -0.132 -5.378) 6.124 9.229 ( -1.854 -5.070 -1.523) 5.609 9.276 ( 1.587 -4.564 -1.820) 5.163 9.422 ( 0.467 -0.661 -0.157) 0.825 9.686 ( -0.824 -4.846 -0.376) 4.930 9.699 ( -0.897 -1.849 0.746) 2.186 9.826 ( -0.098 -5.886 1.647) 6.113 9.913 ( -0.659 -2.971 -0.935) 3.184 9.989 ( -7.095 -3.974 4.018) 9.071 10.274 ( 3.530 4.587 -7.399) 9.394 10.398 ( 7.139 -0.723 -0.134) 7.177 10.555 ( 10.429 -3.615 -2.497) 11.317 10.811 ( 2.439 -0.882 1.003) 2.781 11.010 ( -2.541 -7.493 -4.615) 9.159 11.074 ( -1.230 -0.340 -2.210) 2.552 11.166 ( -1.468 -2.627 -1.201) 3.240 11.194 ( 3.854 3.415 -2.688) 5.809 11.679 ( -1.323 -0.192 -2.257) 2.623 11.757 ( 2.229 6.266 -1.937) 6.927 12.000 ( -5.127 -1.246 3.129) 6.134 12.473 ( 4.251 4.654 -0.721) 6.344 12.670 ( -0.037 -4.477 2.780) 5.270 12.691 ( -25.463 -1.059 2.173) 25.577 12.935 ( 3.820 2.163 -3.460) 5.590 13.069 ( -2.064 -2.934 3.282) 4.862 13.239 ( 1.702 -6.891 0.070) 7.098 13.451 ( -1.200 -1.604 -4.787) 5.189 14.733 ( 1.908 6.588 4.431) 8.165 15.820 ( -4.825 0.673 -19.799) 20.390 15.919 ( -0.981 -15.664 0.838) 15.717 16.097 ( -0.281 -10.073 -1.259) 10.155 16.415 ( 6.220 1.020 -0.855) 6.361 16.442 ( 6.337 -0.105 -0.243) 6.343 16.682 ( 0.420 12.448 2.655) 12.735 16.741 ( -3.626 6.193 17.229) 18.664 17.293 ( -0.133 -0.004 1.213) 1.220 17.445 ( 0.538 14.507 -3.119) 14.849 17.870 ( -0.114 -7.192 2.357) 7.569 19.072 ( -1.077 -12.074 -9.513) 15.408 21.417 ( 1.028 0.993 1.493) 2.067 21.438 ( 0.073 0.958 -0.507) 1.087 21.512 ( -0.378 1.578 1.144) 1.985 21.540 ( -0.060 2.597 1.550) 3.025 21.757 ( 0.481 -1.959 -2.968) 3.589 21.816 ( -0.822 -0.995 0.103) 1.295 22.299 ( 1.750 0.443 1.912) 2.630 22.377 ( -1.954 -5.038 0.184) 5.406 22.401 ( 0.844 -0.561 -0.108) 1.019 22.462 ( 1.580 -4.467 -0.840) 4.812 22.807 ( 0.394 9.146 5.657) 10.761 23.213 ( -1.256 4.251 -3.338) 5.549 ======================= Grid point 73 (31/112) ======================= q-point: ( 0.11 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.018 ( 7.091 15.744 8.914) 19.432 1.136 ( 3.174 12.533 5.738) 14.145 1.317 ( -4.604 5.571 -0.291) 7.233 1.896 ( -9.369 3.787 0.603) 10.124 2.044 ( -5.627 10.307 7.717) 14.052 2.143 ( 5.384 3.713 -10.325) 12.222 2.252 ( -3.510 0.435 -16.691) 17.062 2.485 ( 5.839 6.087 -3.841) 9.269 2.595 ( -1.634 -1.682 -6.707) 7.105 2.713 ( -3.509 0.122 -2.754) 4.462 2.805 ( 2.892 -1.663 2.356) 4.084 2.911 ( -1.734 -5.911 -3.109) 6.900 3.007 ( -3.968 2.836 -3.398) 5.944 3.053 ( -2.695 -4.383 2.502) 5.721 3.116 ( -6.291 0.352 -3.028) 6.991 3.178 ( -4.157 -3.876 3.993) 6.946 3.296 ( -3.919 -7.773 -0.350) 8.712 3.350 ( -1.923 -2.966 0.759) 3.616 3.422 ( 1.322 3.304 -2.398) 4.291 3.509 ( -4.441 -3.598 1.503) 5.910 3.540 ( 1.913 -5.331 -1.374) 5.828 3.775 ( 1.519 -0.078 2.191) 2.667 3.805 ( -8.005 -2.587 -6.348) 10.539 3.898 ( -8.465 -4.936 -9.062) 13.347 3.979 ( 3.008 -4.122 0.815) 5.167 4.109 ( 1.555 15.412 -0.566) 15.501 4.260 ( 5.012 4.845 -3.187) 7.665 4.439 ( 6.392 2.709 8.628) 11.074 4.472 ( 5.793 10.332 -2.179) 12.044 4.557 ( 6.063 0.012 2.988) 6.759 4.665 ( 3.235 7.672 0.639) 8.351 4.764 ( 2.234 6.401 4.856) 8.339 4.798 ( 2.841 3.288 -2.962) 5.259 4.837 ( 2.008 5.699 0.866) 6.104 4.903 ( 4.350 -0.013 0.055) 4.351 4.933 ( -0.459 2.915 0.823) 3.063 5.069 ( 4.522 3.661 8.854) 10.595 5.271 ( 0.509 7.930 0.823) 7.989 5.351 ( -1.457 -3.114 0.776) 3.525 5.439 ( 3.238 -4.636 11.596) 12.901 5.581 ( 4.234 -1.973 -2.503) 5.299 5.842 ( 0.336 1.804 4.588) 4.942 5.999 ( 2.295 -3.110 -1.865) 4.291 6.052 ( 0.083 0.077 -3.960) 3.962 6.200 ( -1.409 -3.025 -1.158) 3.532 6.260 ( 0.793 0.947 -0.287) 1.268 6.371 ( -0.716 3.292 -12.597) 13.039 6.457 ( -3.831 -2.048 -8.284) 9.354 6.667 ( 2.218 1.227 -1.466) 2.928 6.808 ( -3.771 -7.019 6.034) 9.995 6.859 ( -2.330 -1.462 2.167) 3.502 7.057 ( 1.279 -5.752 -0.149) 5.894 7.107 ( -2.797 2.594 8.910) 9.693 7.239 ( -0.020 -1.411 4.513) 4.729 7.298 ( -3.927 0.544 2.071) 4.473 7.427 ( -1.881 -0.555 7.010) 7.279 7.526 ( -1.746 -1.679 7.725) 8.096 7.624 ( -8.308 1.889 6.585) 10.768 7.750 ( 0.270 7.322 9.324) 11.858 7.819 ( 1.018 0.102 15.948) 15.981 7.933 ( 9.488 3.530 -0.473) 10.135 7.983 ( -2.098 7.638 4.527) 9.123 8.059 ( 0.533 0.615 7.956) 7.998 8.227 ( 7.688 8.992 -0.034) 11.831 8.317 ( -0.092 4.775 -0.296) 4.785 8.465 ( 6.490 0.790 -3.930) 7.628 8.511 ( 4.292 1.108 -4.123) 6.053 8.601 ( 8.175 -2.363 -2.252) 8.803 8.878 ( 3.906 2.886 -2.008) 5.256 9.019 ( -1.937 3.307 -6.753) 7.765 9.176 ( 0.685 -2.312 -6.708) 7.128 9.254 ( 2.924 -3.069 -6.158) 7.476 9.410 ( -2.567 -3.056 1.771) 4.367 9.631 ( -4.908 -8.077 -0.134) 9.453 9.704 ( -3.083 -3.329 1.077) 4.663 9.802 ( -1.243 -2.981 -2.478) 4.071 9.921 ( -9.150 -2.885 3.068) 10.072 9.944 ( 4.297 -6.283 -0.014) 7.612 10.192 ( 1.237 5.353 -9.199) 10.714 10.503 ( 3.662 -3.368 3.066) 5.844 10.670 ( 9.494 -9.883 -2.017) 13.851 10.817 ( 2.848 0.892 -12.361) 12.716 10.855 ( -6.185 -8.711 -0.344) 10.689 11.031 ( -3.692 2.413 1.203) 4.571 11.196 ( 5.502 -4.599 0.270) 7.176 11.197 ( 3.859 5.696 -4.300) 8.113 11.600 ( -6.100 0.188 -0.907) 6.170 11.767 ( 2.558 7.695 -1.833) 8.314 11.956 ( -7.096 -0.580 3.154) 7.787 12.415 ( -19.185 6.258 4.892) 20.764 12.535 ( 5.129 2.446 -0.464) 5.702 12.760 ( 3.493 -5.941 4.775) 8.385 12.939 ( 1.325 3.242 -1.874) 3.973 13.089 ( -0.134 -3.409 2.252) 4.087 13.226 ( -0.198 -7.005 -2.085) 7.312 13.353 ( -2.127 -1.144 -5.525) 6.030 14.860 ( 3.958 5.498 7.737) 10.284 15.454 ( -9.333 2.351 -17.816) 20.249 15.941 ( -0.113 -17.044 2.406) 17.214 16.070 ( -0.930 -17.450 -1.627) 17.550 16.405 ( -4.143 0.108 -0.927) 4.247 16.443 ( -1.965 0.508 -0.599) 2.116 16.713 ( -0.504 14.496 2.591) 14.734 17.021 ( 8.985 5.059 13.225) 16.770 17.231 ( -5.337 22.721 -12.449) 26.452 17.391 ( 8.394 -0.359 -0.998) 8.460 18.035 ( 1.327 -11.425 14.847) 18.781 18.854 ( -6.894 -11.288 -13.687) 19.034 21.437 ( 1.266 1.200 -0.727) 1.890 21.463 ( 3.265 0.774 0.164) 3.360 21.529 ( 0.025 1.366 1.817) 2.273 21.580 ( 0.093 1.590 4.007) 4.312 21.724 ( 0.819 0.194 -2.263) 2.414 21.798 ( -0.907 -0.027 -1.091) 1.419 22.276 ( -4.377 -0.259 -1.136) 4.530 22.346 ( -4.810 -1.429 -0.707) 5.067 22.414 ( 0.935 -7.018 1.368) 7.211 22.484 ( 2.405 -8.087 -0.797) 8.475 22.927 ( 4.898 10.112 6.331) 12.896 23.166 ( 0.885 7.774 -2.775) 8.302 ======================= Grid point 74 (32/112) ======================= q-point: ( 0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -0.989 11.875 -12.899) 17.561 1.159 ( 2.550 9.897 -3.786) 10.899 1.401 ( -12.012 -0.546 8.048) 14.469 1.763 ( -7.255 3.952 0.608) 8.283 1.948 ( -9.630 2.813 3.241) 10.543 1.996 ( -3.321 3.700 -8.744) 10.059 2.106 ( 2.963 -1.483 -2.347) 4.061 2.482 ( 0.278 -1.291 -8.728) 8.828 2.573 ( 1.216 6.568 -3.182) 7.398 2.613 ( -0.506 -5.863 -2.816) 6.524 2.820 ( -6.588 -2.039 1.551) 7.069 2.860 ( -4.681 -1.462 0.144) 4.906 2.969 ( -1.609 -1.138 0.964) 2.194 2.977 ( -5.987 -0.474 -1.914) 6.303 3.044 ( -4.707 -5.898 2.150) 7.847 3.174 ( -7.022 -7.594 -2.199) 10.574 3.192 ( -9.138 -4.723 6.537) 12.188 3.283 ( -1.171 -4.257 -7.599) 8.788 3.384 ( -2.722 4.189 0.383) 5.010 3.497 ( -4.082 -4.633 -3.161) 6.937 3.553 ( -3.155 -2.606 -4.256) 5.904 3.663 ( 1.444 6.755 -0.808) 6.955 3.751 ( 4.781 0.076 11.829) 12.759 3.850 ( 0.204 -5.329 -0.063) 5.334 3.995 ( 1.138 -4.159 -0.521) 4.344 4.161 ( 4.514 12.258 2.068) 13.226 4.345 ( 4.654 15.587 -0.201) 16.269 4.510 ( 12.815 7.231 -8.041) 16.768 4.598 ( 3.366 6.034 2.094) 7.219 4.667 ( 5.511 1.468 3.490) 6.686 4.726 ( 1.502 4.608 0.167) 4.850 4.756 ( 3.659 2.722 -4.683) 6.537 4.870 ( 3.190 6.831 2.523) 7.951 4.907 ( 5.203 6.164 1.143) 8.147 4.961 ( 8.481 1.858 -0.482) 8.695 5.010 ( 4.957 5.481 3.997) 8.401 5.243 ( 5.863 7.161 2.410) 9.564 5.337 ( 10.316 -0.596 5.840) 11.869 5.411 ( 0.455 -4.989 6.265) 8.022 5.574 ( 5.191 -7.776 -2.543) 9.689 5.692 ( 5.144 3.157 9.053) 10.881 5.881 ( -1.674 1.296 1.651) 2.685 5.956 ( -0.732 -2.527 -2.812) 3.851 6.051 ( -1.811 0.712 -10.880) 11.053 6.080 ( -0.143 -0.077 -1.690) 1.698 6.220 ( -5.740 -4.344 -4.198) 8.333 6.285 ( -2.453 1.469 0.479) 2.899 6.328 ( 1.400 3.552 -2.374) 4.496 6.681 ( 0.865 -1.508 -0.382) 1.780 6.799 ( -6.166 -5.320 3.062) 8.701 6.853 ( -4.231 -1.048 1.702) 4.679 7.001 ( -4.370 -3.188 -2.871) 6.124 7.140 ( -4.513 4.769 3.519) 7.449 7.263 ( -5.808 -3.850 4.572) 8.334 7.339 ( 2.797 0.318 3.161) 4.232 7.441 ( -4.480 3.659 4.159) 7.125 7.535 ( -6.208 2.462 4.951) 8.313 7.611 ( 2.683 -2.198 -1.776) 3.897 7.827 ( -3.296 2.768 4.944) 6.555 8.051 ( 9.598 4.742 -0.296) 10.710 8.063 ( 5.590 -1.370 9.731) 11.306 8.143 ( 3.827 -0.238 11.455) 12.080 8.237 ( 1.779 2.422 4.091) 5.076 8.307 ( 2.421 0.443 7.030) 7.448 8.339 ( 3.459 2.851 3.165) 5.487 8.439 ( 3.182 1.728 -6.774) 7.681 8.586 ( 10.420 7.320 0.851) 12.763 8.696 ( 8.789 0.772 -4.347) 9.835 8.814 ( -1.110 1.684 -9.893) 10.096 9.020 ( 3.321 3.328 3.119) 5.642 9.079 ( 2.238 1.687 -5.575) 6.240 9.181 ( 1.418 -1.707 -9.074) 9.341 9.424 ( -3.191 -5.324 6.825) 9.225 9.545 ( -5.118 -6.197 -1.791) 8.235 9.629 ( -9.111 -7.900 -0.085) 12.059 9.737 ( -0.042 -0.745 -6.062) 6.108 9.841 ( -6.878 -2.722 2.963) 7.968 9.995 ( 1.153 -2.865 -0.272) 3.100 10.099 ( 3.525 3.087 -6.898) 8.339 10.512 ( -3.274 -7.992 -3.716) 9.402 10.646 ( -5.408 -1.099 -3.042) 6.302 10.775 ( 8.809 -8.322 -1.600) 12.223 10.796 ( -0.954 -3.314 -4.883) 5.978 11.034 ( 0.551 4.488 1.774) 4.858 11.175 ( 4.026 2.308 -5.639) 7.303 11.300 ( 4.421 -3.425 3.471) 6.582 11.509 ( -7.613 -0.825 1.685) 7.841 11.764 ( 3.157 5.653 -4.896) 8.117 11.909 ( -8.567 4.216 6.387) 11.487 12.267 ( -13.644 6.017 5.667) 15.952 12.592 ( 6.892 0.895 -3.866) 7.952 12.877 ( 3.505 -6.715 4.614) 8.870 12.916 ( -3.112 1.890 0.807) 3.729 13.119 ( 3.018 -4.419 -1.338) 5.516 13.205 ( -1.822 -5.153 0.432) 5.483 13.264 ( -1.141 -1.473 -2.640) 3.232 15.028 ( 3.503 4.589 8.574) 10.337 15.114 ( -8.924 3.587 -12.893) 16.085 15.972 ( -0.291 -16.275 2.116) 16.414 16.031 ( -1.341 -19.216 -1.495) 19.320 16.313 ( -5.718 0.166 -2.021) 6.066 16.391 ( -3.888 0.044 -0.872) 3.985 16.742 ( -1.224 16.520 3.360) 16.902 17.001 ( -4.660 21.381 -8.840) 23.601 17.311 ( 10.603 3.085 8.938) 14.207 17.512 ( 10.086 -1.482 -1.316) 10.279 18.230 ( -0.753 -8.257 12.595) 15.079 18.543 ( -9.809 -8.953 -14.227) 19.462 21.456 ( 2.811 1.397 -0.366) 3.161 21.498 ( 3.159 0.760 -1.601) 3.622 21.557 ( 0.198 1.337 1.794) 2.246 21.639 ( 0.622 0.164 3.529) 3.587 21.733 ( 2.009 1.420 0.303) 2.478 21.762 ( -0.998 1.304 -2.084) 2.653 22.186 ( -5.756 -0.421 -1.250) 5.905 22.241 ( -6.782 -0.155 -2.013) 7.077 22.442 ( 0.265 -9.077 1.293) 9.172 22.498 ( 1.109 -9.852 -0.605) 9.933 23.088 ( 6.315 9.412 5.126) 12.440 23.157 ( 2.231 8.737 -2.128) 9.265 ======================= Grid point 75 (33/112) ======================= q-point: ( 0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 4.219 6.033 -4.026) 8.390 1.023 ( -2.863 7.448 -2.619) 8.398 1.233 ( -12.935 1.953 1.232) 13.139 1.745 ( -9.548 2.494 7.081) 12.146 1.838 ( -10.784 0.753 1.781) 10.956 1.950 ( 3.159 0.528 1.407) 3.498 2.190 ( 1.292 0.307 4.155) 4.362 2.351 ( 3.928 1.692 -10.713) 11.535 2.524 ( -1.306 -8.495 -2.622) 8.986 2.590 ( -0.185 2.362 0.416) 2.405 2.755 ( -6.695 -3.049 1.896) 7.597 2.798 ( -3.433 1.410 1.049) 3.857 2.819 ( -10.093 -6.537 -2.510) 12.284 2.925 ( -0.731 -3.146 -3.455) 4.729 3.008 ( -1.742 -2.190 -0.570) 2.856 3.051 ( -8.602 -13.686 3.182) 16.475 3.129 ( -5.127 -6.052 2.488) 8.313 3.252 ( -1.360 -1.435 2.600) 3.267 3.331 ( -8.079 2.071 -3.764) 9.150 3.338 ( -1.830 3.381 -2.132) 4.396 3.522 ( -2.210 0.820 3.416) 4.151 3.709 ( 4.517 6.828 -2.793) 8.651 3.839 ( 0.728 -7.066 -0.315) 7.110 3.990 ( 4.268 2.065 -1.177) 4.885 4.096 ( 5.823 3.321 12.538) 14.218 4.223 ( 7.482 10.186 -8.034) 14.976 4.417 ( 7.622 11.889 3.119) 14.462 4.567 ( 10.408 8.626 -9.407) 16.469 4.638 ( -1.532 3.071 2.996) 4.556 4.708 ( 2.220 5.287 -3.481) 6.708 4.728 ( 0.786 4.230 -0.629) 4.348 4.802 ( 5.944 5.853 -0.948) 8.395 4.915 ( 4.030 7.772 -3.271) 9.346 4.999 ( -0.270 8.418 5.860) 10.261 5.126 ( 7.197 1.669 3.889) 8.349 5.175 ( 6.703 6.070 9.619) 13.202 5.372 ( 9.232 4.032 0.596) 10.091 5.511 ( 3.883 -4.620 3.566) 7.010 5.534 ( 2.768 -4.339 1.986) 5.516 5.612 ( 7.991 -5.016 -2.965) 9.890 5.739 ( -3.586 0.775 -12.794) 13.310 5.837 ( 0.946 -0.881 4.779) 4.951 5.877 ( -3.886 -0.884 -0.256) 3.994 6.000 ( 6.678 3.759 -4.688) 8.984 6.034 ( -0.658 -1.818 -1.679) 2.561 6.133 ( -1.302 0.675 -0.082) 1.469 6.246 ( -5.060 -1.826 2.229) 5.823 6.364 ( 1.078 0.508 2.180) 2.485 6.645 ( -3.455 -1.112 -3.317) 4.917 6.684 ( -14.625 -5.754 1.479) 15.786 6.789 ( -5.711 -1.280 0.926) 5.925 6.943 ( 2.303 -2.413 -1.795) 3.788 7.131 ( -3.774 5.287 2.161) 6.846 7.245 ( -6.026 -3.434 4.845) 8.461 7.302 ( -0.409 1.531 -6.151) 6.352 7.505 ( -2.317 5.910 7.592) 9.896 7.539 ( -2.030 0.102 2.735) 3.407 7.623 ( 2.835 -1.421 -2.091) 3.799 7.891 ( 3.471 0.161 6.372) 7.258 8.061 ( 1.806 -0.863 -13.219) 13.369 8.144 ( 2.326 -0.860 -3.258) 4.095 8.260 ( 1.036 5.259 3.128) 6.206 8.306 ( 0.046 0.580 2.023) 2.105 8.383 ( 4.553 -0.784 2.336) 5.177 8.414 ( 3.238 2.437 -4.387) 5.973 8.545 ( 3.604 2.854 -3.283) 5.649 8.581 ( 8.688 1.429 -0.711) 8.834 8.804 ( 0.119 2.027 -0.411) 2.072 8.829 ( 5.427 5.744 11.072) 13.602 8.988 ( 1.880 -2.946 -2.001) 4.027 9.042 ( -1.673 -0.622 -5.304) 5.596 9.197 ( 4.417 1.305 1.975) 5.011 9.432 ( -4.264 -6.270 -3.606) 8.397 9.504 ( -9.004 -1.985 5.927) 10.961 9.545 ( 1.817 -4.838 5.671) 7.673 9.660 ( 3.250 0.558 -6.057) 6.896 9.810 ( -5.387 -4.717 4.030) 8.216 9.969 ( 0.946 2.971 -2.062) 3.738 10.111 ( 6.159 -2.236 -4.530) 7.965 10.392 ( -0.564 -8.163 -6.668) 10.556 10.556 ( -10.808 -2.957 4.614) 12.118 10.706 ( -1.718 1.420 -4.748) 5.246 10.858 ( 6.376 -5.200 -2.092) 8.489 11.066 ( 2.606 1.341 -0.825) 3.045 11.172 ( 4.324 -1.832 -3.385) 5.789 11.379 ( -3.065 -3.982 4.777) 6.933 11.452 ( -3.974 0.362 3.093) 5.049 11.724 ( 3.350 -0.541 -6.719) 7.527 11.898 ( -6.781 11.369 7.161) 15.050 12.186 ( -10.781 6.166 6.990) 14.252 12.614 ( 7.212 0.596 -6.875) 9.982 12.878 ( -4.181 -0.562 2.162) 4.740 12.979 ( 2.089 -6.387 3.556) 7.603 13.137 ( 2.961 -3.764 -1.672) 5.072 13.157 ( -2.046 -4.817 -1.485) 5.440 13.274 ( -1.374 -2.811 3.667) 4.821 14.882 ( -4.508 5.039 -6.545) 9.410 15.171 ( 0.290 4.259 7.404) 8.546 15.974 ( -0.744 -17.483 -0.508) 17.506 16.019 ( -0.522 -16.021 1.729) 16.122 16.210 ( -4.239 0.045 -2.455) 4.899 16.325 ( -3.029 -0.685 -1.379) 3.398 16.768 ( -1.862 17.915 3.651) 18.378 16.871 ( -2.183 19.274 -3.684) 19.744 17.547 ( 10.187 -1.587 3.026) 10.745 17.614 ( 8.571 -0.666 -1.995) 8.825 18.226 ( -8.273 -5.281 -10.421) 14.315 18.361 ( -4.326 -6.129 9.719) 12.278 21.506 ( 4.123 1.305 0.348) 4.339 21.512 ( 2.063 1.063 -1.187) 2.606 21.574 ( -0.148 1.366 0.450) 1.446 21.676 ( 1.884 -0.130 -1.372) 2.334 21.710 ( -0.791 2.275 -2.259) 3.303 21.784 ( 0.554 0.963 3.339) 3.519 22.105 ( -4.711 -0.165 0.757) 4.774 22.132 ( -5.332 -0.018 -0.952) 5.417 22.455 ( -0.198 -9.669 0.565) 9.687 22.502 ( 0.671 -10.485 -0.525) 10.520 23.159 ( 2.381 9.152 -2.356) 9.745 23.216 ( 3.910 8.164 2.514) 9.395 ======================= Grid point 76 (34/112) ======================= q-point: ( 0.44 0.17 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 4.081 1.624 6.335) 7.708 1.094 ( -3.127 0.657 8.020) 8.633 1.235 ( 1.889 11.757 8.564) 14.668 1.664 ( -7.524 -2.070 5.076) 9.309 1.734 ( -8.751 0.489 3.821) 9.562 2.028 ( 0.768 1.700 2.517) 3.133 2.234 ( 0.351 1.338 4.006) 4.238 2.345 ( 7.909 4.631 -6.881) 11.461 2.518 ( 2.010 -8.528 4.850) 10.015 2.594 ( -5.659 -2.733 1.323) 6.422 2.655 ( -2.508 -6.254 1.972) 7.021 2.756 ( -2.155 -2.952 -0.183) 3.660 2.801 ( -1.773 -1.234 4.135) 4.665 2.893 ( 2.862 -3.319 -1.060) 4.508 2.999 ( 0.239 -6.010 0.465) 6.033 3.026 ( -3.122 -5.848 4.066) 7.777 3.153 ( -1.961 -7.262 5.735) 9.458 3.206 ( -4.072 5.051 3.381) 7.316 3.268 ( 0.524 -0.034 -0.222) 0.570 3.343 ( -1.692 4.284 5.309) 7.029 3.550 ( -2.154 -0.024 5.205) 5.634 3.702 ( 3.641 1.134 -5.481) 6.677 3.861 ( 0.260 -0.604 1.607) 1.736 4.005 ( 1.903 -2.204 -3.219) 4.340 4.132 ( 3.302 11.037 -11.167) 16.045 4.227 ( -0.497 3.536 -3.598) 5.069 4.501 ( 3.248 10.052 -5.530) 11.924 4.578 ( 2.104 6.016 -3.988) 7.518 4.649 ( -1.499 7.790 -1.664) 8.106 4.673 ( 1.854 6.694 -0.338) 6.954 4.746 ( 2.350 5.464 0.001) 5.948 4.856 ( 3.917 7.564 -2.133) 8.781 4.916 ( 3.227 6.353 -2.559) 7.571 4.993 ( -3.128 6.849 -3.452) 8.283 5.194 ( -3.699 2.548 0.452) 4.515 5.336 ( -4.083 4.366 5.505) 8.126 5.413 ( 1.336 -1.843 -5.241) 5.714 5.488 ( 1.043 2.847 -5.924) 6.655 5.557 ( 1.499 -3.763 -0.924) 4.155 5.617 ( 1.796 1.024 -7.046) 7.344 5.706 ( 6.067 -6.282 4.331) 9.748 5.877 ( 2.716 -1.558 2.528) 4.024 5.927 ( 5.166 -2.348 3.114) 6.473 6.014 ( -2.848 -1.167 -1.423) 3.391 6.051 ( 4.302 2.798 1.119) 5.253 6.150 ( 3.519 -0.511 2.234) 4.200 6.264 ( 0.661 0.645 4.637) 4.728 6.381 ( 0.169 -1.251 -2.095) 2.445 6.457 ( -13.640 -5.337 -0.434) 14.653 6.619 ( -1.159 -0.196 4.118) 4.282 6.754 ( -2.663 1.102 3.513) 4.544 6.973 ( 4.581 -4.892 -3.561) 7.590 7.051 ( -6.271 0.197 -2.642) 6.808 7.215 ( 2.906 6.333 -6.053) 9.230 7.246 ( -4.227 0.612 2.745) 5.077 7.507 ( -1.951 -1.027 -4.000) 4.567 7.521 ( -5.773 3.951 2.032) 7.285 7.659 ( 2.939 -1.285 1.984) 3.772 7.853 ( -2.134 -1.764 -14.944) 15.199 8.055 ( 1.719 3.808 -4.245) 5.956 8.085 ( 4.405 -1.420 1.387) 4.831 8.222 ( 0.755 -1.542 -8.072) 8.252 8.277 ( 2.295 0.544 -4.393) 4.987 8.341 ( 1.344 5.297 -11.215) 12.475 8.453 ( 0.131 1.983 0.063) 1.988 8.546 ( 5.347 5.259 -1.104) 7.581 8.714 ( -1.545 -0.731 -3.899) 4.257 8.783 ( 1.579 -0.739 8.488) 8.666 8.927 ( -2.156 4.350 3.475) 5.971 9.054 ( 0.245 -5.706 4.545) 7.299 9.088 ( 3.502 -1.359 9.059) 9.807 9.266 ( 3.373 1.595 1.234) 3.930 9.345 ( -4.957 -3.270 0.512) 5.961 9.476 ( -5.640 -0.874 6.281) 8.487 9.613 ( 1.209 -4.398 1.264) 4.733 9.703 ( 5.233 0.281 0.949) 5.326 9.791 ( -5.055 -4.949 1.973) 7.344 10.012 ( 1.862 4.094 1.354) 4.697 10.094 ( 7.437 -2.271 -8.127) 11.248 10.367 ( 5.760 -7.975 -2.006) 10.041 10.471 ( -12.281 -3.463 6.455) 14.300 10.661 ( 2.639 2.859 -1.058) 4.032 10.896 ( 3.277 -1.572 -1.832) 4.070 11.075 ( 5.267 -3.404 -5.710) 8.481 11.173 ( 0.061 -5.114 -2.112) 5.534 11.344 ( -6.673 -2.354 2.508) 7.507 11.479 ( -2.430 1.348 5.070) 5.782 11.692 ( 4.228 -1.708 -5.538) 7.174 11.915 ( -4.026 11.521 6.255) 13.714 12.162 ( -8.850 6.962 9.283) 14.594 12.612 ( 6.939 0.807 -7.627) 10.343 12.867 ( -2.622 -1.379 2.962) 4.189 13.015 ( -1.269 -5.571 0.902) 5.784 13.136 ( 1.501 -3.450 -1.467) 4.038 13.158 ( 0.086 -5.302 1.771) 5.590 13.287 ( -2.935 -3.470 2.719) 5.296 14.834 ( 2.955 5.653 1.501) 6.553 15.217 ( -5.131 4.381 3.929) 7.808 15.967 ( 0.377 -18.294 0.240) 18.299 16.031 ( -1.891 -14.205 1.588) 14.418 16.157 ( 0.600 -0.116 -0.738) 0.958 16.286 ( -0.043 -1.090 -0.984) 1.469 16.786 ( -3.285 18.414 3.516) 19.032 16.836 ( 1.554 18.575 -0.405) 18.645 17.607 ( 6.093 -1.879 -7.649) 9.958 17.661 ( -1.413 -2.486 -5.466) 6.169 18.119 ( 5.533 -2.474 2.466) 6.544 18.400 ( -7.998 -6.312 7.863) 12.870 21.524 ( 1.495 1.227 -0.597) 2.024 21.540 ( 1.185 1.315 -2.449) 3.022 21.585 ( 0.324 0.980 1.029) 1.457 21.655 ( 0.509 0.488 -2.327) 2.432 21.682 ( 0.900 2.232 -2.069) 3.174 21.825 ( -1.119 0.549 2.348) 2.659 22.093 ( -1.029 -0.425 2.420) 2.664 22.097 ( -1.761 0.097 4.679) 5.001 22.452 ( -0.540 -9.896 -0.257) 9.914 22.503 ( 0.558 -10.245 -0.545) 10.275 23.152 ( 2.179 9.403 -3.359) 10.220 23.248 ( -0.529 7.684 -1.477) 7.842 ======================= Grid point 77 (35/112) ======================= q-point: (-0.44 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 1.021 6.798 3.228) 7.595 1.177 ( -1.866 2.336 7.161) 7.760 1.389 ( 2.972 4.380 13.139) 14.165 1.704 ( -7.280 5.283 14.375) 16.958 1.818 ( 5.360 3.590 6.889) 9.438 2.057 ( 1.593 0.005 2.791) 3.214 2.236 ( -5.514 2.288 5.727) 8.272 2.398 ( 13.928 5.637 -6.535) 16.385 2.573 ( -3.805 -6.878 0.907) 7.912 2.612 ( 2.067 -4.540 5.094) 7.130 2.667 ( -2.137 -6.044 3.814) 7.459 2.793 ( 2.836 -4.048 4.358) 6.589 2.896 ( 5.026 -2.186 6.678) 8.639 2.973 ( 4.515 -5.103 3.119) 7.493 3.019 ( -0.808 -3.229 3.417) 4.770 3.074 ( 0.471 -2.642 4.595) 5.321 3.195 ( -0.967 1.372 3.232) 3.641 3.230 ( -2.859 -1.944 3.227) 4.729 3.319 ( 4.757 -0.481 3.842) 6.134 3.435 ( 2.578 2.454 6.526) 7.433 3.609 ( -0.678 -0.516 6.586) 6.641 3.679 ( 2.608 -2.133 -3.595) 4.927 3.845 ( -6.195 -6.867 -9.815) 13.486 3.869 ( -6.211 4.202 -1.081) 7.576 4.037 ( -5.105 -2.159 -5.192) 7.595 4.089 ( 4.465 10.770 -11.114) 16.107 4.425 ( -2.079 16.043 -3.821) 16.622 4.544 ( -5.127 5.980 -4.654) 9.149 4.563 ( 5.723 10.814 -4.258) 12.955 4.703 ( 3.568 4.342 -7.156) 9.099 4.765 ( 0.290 3.471 -1.493) 3.789 4.798 ( -3.480 6.161 -5.762) 9.125 4.887 ( 1.785 5.198 -6.514) 8.523 4.936 ( 1.169 4.576 0.441) 4.744 5.068 ( -6.487 6.750 -3.112) 9.865 5.286 ( -5.325 -2.443 -7.932) 9.861 5.331 ( -3.877 -0.365 2.757) 4.771 5.409 ( -5.473 -1.853 -3.363) 6.686 5.510 ( -2.230 -0.818 -6.567) 6.984 5.579 ( 0.561 2.943 -0.103) 2.998 5.814 ( -0.132 -2.242 1.126) 2.512 5.907 ( -2.111 -4.401 -0.554) 4.913 5.926 ( -1.645 -1.378 -0.888) 2.322 6.054 ( 5.475 -2.633 0.649) 6.109 6.191 ( 0.034 -5.041 6.001) 7.837 6.208 ( 0.065 6.140 1.835) 6.409 6.319 ( 2.868 2.042 5.102) 6.199 6.350 ( 1.342 -3.525 1.007) 3.904 6.419 ( 2.895 1.142 5.119) 5.991 6.721 ( 4.275 -3.946 4.360) 7.270 6.814 ( 0.459 2.085 4.927) 5.370 6.935 ( -0.370 4.182 -2.054) 4.673 6.941 ( 1.501 -1.379 -8.543) 8.783 7.198 ( 3.188 2.885 -4.025) 5.889 7.235 ( -1.826 0.709 1.710) 2.600 7.367 ( -1.356 -1.633 -12.161) 12.345 7.419 ( -6.056 2.378 -4.138) 7.711 7.650 ( -1.264 -3.559 -9.658) 10.370 7.725 ( 1.602 0.122 1.058) 1.923 7.895 ( -1.007 8.278 -10.198) 13.174 8.076 ( -7.092 -4.253 -4.456) 9.394 8.146 ( -1.068 3.250 -13.923) 14.337 8.219 ( 3.271 2.678 -5.052) 6.588 8.270 ( 4.325 1.026 -2.925) 5.321 8.476 ( 4.785 5.654 3.208) 8.072 8.564 ( -1.300 1.658 -1.263) 2.457 8.690 ( -2.453 -0.602 1.801) 3.102 8.811 ( -4.510 -4.613 -0.030) 6.452 9.011 ( 0.015 4.034 9.373) 10.204 9.126 ( -0.881 -1.222 7.387) 7.539 9.246 ( 2.793 -5.608 2.139) 6.620 9.292 ( -3.635 -1.056 3.906) 5.439 9.326 ( -0.201 -0.539 5.029) 5.062 9.507 ( -1.933 -0.411 0.475) 2.032 9.585 ( -7.759 -4.445 2.844) 9.384 9.688 ( -4.189 -2.868 -2.296) 5.572 9.851 ( 5.699 0.175 6.127) 8.370 9.981 ( 2.293 0.633 -0.876) 2.535 10.189 ( 12.721 -0.996 -5.328) 13.828 10.401 ( -9.676 -2.366 6.405) 11.843 10.466 ( 10.231 -6.569 -1.143) 12.212 10.760 ( 7.471 0.103 3.868) 8.413 10.889 ( -2.565 -3.430 -0.548) 4.318 11.073 ( 9.320 -4.549 -8.737) 13.561 11.123 ( -3.242 -0.644 -0.455) 3.336 11.287 ( -2.964 -2.307 -1.264) 3.963 11.503 ( -4.049 -0.449 5.144) 6.562 11.693 ( 4.659 1.759 -3.233) 5.937 11.950 ( -3.617 7.719 6.281) 10.589 12.194 ( -6.593 7.189 11.147) 14.813 12.594 ( 5.553 1.195 -8.067) 9.866 12.874 ( -1.009 -1.065 1.480) 2.084 12.985 ( -4.121 -4.811 0.502) 6.355 13.123 ( 0.598 -2.345 -2.971) 3.832 13.193 ( -0.710 -6.206 3.636) 7.228 13.296 ( -0.154 -3.126 2.892) 4.261 14.997 ( 10.066 4.731 8.747) 14.149 15.138 ( -9.480 4.848 -0.310) 10.653 15.983 ( -0.726 -16.259 0.754) 16.293 16.018 ( -0.547 -17.434 1.063) 17.475 16.198 ( 4.021 -0.149 0.842) 4.111 16.295 ( 2.588 -0.740 -0.620) 2.762 16.768 ( -4.232 17.396 2.039) 18.019 16.910 ( 6.632 20.154 2.760) 21.396 17.467 ( -8.420 1.414 -9.382) 12.685 17.548 ( 2.703 -1.055 -9.473) 9.907 18.332 ( -4.509 -8.285 6.293) 11.339 18.384 ( 6.973 -6.336 7.922) 12.310 21.509 ( 0.792 1.338 -2.939) 3.325 21.535 ( 1.599 1.131 -1.896) 2.726 21.559 ( -3.522 1.115 -0.066) 3.695 21.611 ( -1.297 0.235 -2.185) 2.552 21.726 ( 3.417 1.667 1.867) 4.236 21.806 ( -2.902 0.992 -0.640) 3.133 22.164 ( 2.022 -1.280 6.097) 6.549 22.178 ( 0.808 -0.193 7.479) 7.525 22.434 ( -0.788 -9.720 -0.990) 9.802 22.504 ( 0.580 -9.205 -0.394) 9.232 23.130 ( 2.387 9.585 -4.323) 10.782 23.163 ( -4.304 8.440 -5.670) 11.041 ======================= Grid point 78 (36/112) ======================= q-point: (-0.33 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -3.971 12.431 -1.575) 13.144 1.242 ( -0.766 5.385 3.096) 6.259 1.392 ( -15.312 4.877 -4.484) 16.684 1.844 ( 3.044 7.799 12.937) 15.410 2.030 ( 2.254 7.449 17.032) 18.726 2.210 ( 9.392 -2.112 2.585) 9.967 2.361 ( 1.329 -2.273 13.819) 14.068 2.479 ( -4.630 1.543 -8.239) 9.576 2.530 ( 14.908 1.094 -4.776) 15.692 2.699 ( 6.680 -0.503 3.909) 7.756 2.744 ( 0.287 -7.262 5.974) 9.408 2.844 ( -2.022 6.156 1.831) 6.733 3.010 ( -2.590 -2.210 0.917) 3.526 3.038 ( 3.526 0.491 6.018) 6.992 3.084 ( 3.860 -1.764 0.631) 4.290 3.130 ( -7.345 1.085 6.020) 9.558 3.147 ( 0.291 -5.300 2.692) 5.952 3.286 ( 2.901 1.873 1.436) 3.740 3.446 ( 2.669 -1.541 0.669) 3.154 3.482 ( -1.103 -0.252 0.052) 1.132 3.658 ( -5.007 -7.803 -0.459) 9.283 3.679 ( 5.293 -2.076 1.384) 5.851 3.744 ( 2.823 0.268 -0.563) 2.891 3.848 ( 0.484 -8.344 4.222) 9.364 3.929 ( 2.437 -6.883 5.233) 8.983 4.086 ( 4.964 12.200 -2.380) 13.385 4.354 ( -4.320 14.326 -2.789) 15.221 4.378 ( -2.228 4.934 -9.946) 11.324 4.535 ( 1.715 7.093 -16.918) 18.425 4.584 ( 0.074 2.761 -7.757) 8.234 4.671 ( 0.058 8.363 -0.415) 8.374 4.761 ( -3.196 5.993 0.772) 6.836 4.856 ( 1.100 5.970 -1.606) 6.280 4.967 ( -0.591 2.182 0.534) 2.323 5.008 ( -1.284 4.844 2.100) 5.433 5.107 ( -7.939 0.123 -2.697) 8.386 5.235 ( -5.582 -2.445 -4.841) 7.782 5.255 ( -7.438 -2.920 -5.832) 9.893 5.432 ( -5.828 3.524 0.324) 6.819 5.527 ( -9.435 1.330 -1.702) 9.679 5.671 ( -6.258 -3.121 -3.803) 7.960 5.828 ( -5.118 -1.429 -2.920) 6.063 6.031 ( 5.471 -2.457 4.278) 7.367 6.089 ( 3.424 -1.840 -1.181) 4.062 6.187 ( 0.357 0.999 -1.463) 1.807 6.242 ( -1.155 -1.557 3.175) 3.720 6.375 ( 5.609 -2.299 -2.327) 6.493 6.528 ( 6.088 -0.313 7.127) 9.379 6.563 ( 3.480 4.293 5.160) 7.561 6.718 ( -1.197 -1.536 -3.421) 3.937 6.848 ( 1.097 2.501 -4.825) 5.544 6.899 ( 4.601 -0.926 0.634) 4.736 7.015 ( 3.374 2.141 2.232) 4.577 7.136 ( 3.601 -3.357 -11.739) 12.729 7.195 ( 0.294 9.046 0.785) 9.085 7.266 ( -1.059 -9.127 -0.295) 9.193 7.324 ( -1.686 0.544 -1.033) 2.051 7.526 ( -1.585 1.020 -6.756) 7.014 7.714 ( 0.299 3.702 -2.533) 4.495 7.810 ( -4.966 9.395 0.932) 10.668 7.881 ( -4.573 -0.195 -11.178) 12.078 7.997 ( -2.296 1.358 -3.541) 4.433 8.103 ( 1.512 5.312 -12.071) 13.275 8.324 ( 1.972 2.218 1.297) 3.239 8.458 ( -10.505 -3.226 -2.500) 11.270 8.624 ( 4.981 4.419 3.773) 7.654 8.643 ( -5.284 1.622 1.795) 5.811 8.750 ( -3.889 -4.647 -0.260) 6.065 9.047 ( -9.382 1.496 0.760) 9.531 9.175 ( -10.076 5.731 5.002) 12.625 9.231 ( 1.816 -6.172 0.688) 6.470 9.269 ( 1.327 -4.988 2.030) 5.546 9.408 ( -0.881 2.009 5.327) 5.761 9.539 ( 5.228 -4.467 1.055) 6.957 9.564 ( 1.300 -5.184 1.167) 5.470 9.680 ( 4.333 -3.693 -1.231) 5.825 9.941 ( -2.498 1.569 6.207) 6.872 10.062 ( 3.249 -6.466 0.856) 7.287 10.276 ( 9.575 2.657 -2.537) 10.256 10.386 ( -3.727 -0.622 4.471) 5.854 10.587 ( 12.032 -6.662 -5.175) 14.695 10.811 ( -5.233 -7.046 -2.145) 9.034 10.919 ( 6.533 -2.993 4.156) 8.302 11.089 ( 1.952 0.702 -0.878) 2.252 11.104 ( 4.281 -2.718 -3.445) 6.131 11.233 ( -0.467 -0.291 -2.715) 2.770 11.527 ( -0.872 -0.255 4.181) 4.279 11.724 ( 4.074 3.449 -1.532) 5.553 11.981 ( -4.121 4.165 6.179) 8.515 12.286 ( -4.671 7.143 14.309) 16.660 12.539 ( 2.674 1.960 -7.988) 8.649 12.879 ( 2.447 -0.319 -2.291) 3.367 12.919 ( -7.433 -4.001 1.626) 8.597 13.087 ( -0.954 -1.557 -1.351) 2.272 13.231 ( 0.243 -6.537 2.494) 7.000 13.360 ( 2.574 -2.614 3.226) 4.885 14.975 ( -10.264 5.560 -2.756) 11.994 15.321 ( 15.119 3.378 12.717) 20.043 15.956 ( -2.626 -16.020 -0.069) 16.234 16.056 ( 1.716 -17.759 1.805) 17.932 16.260 ( 4.290 -0.141 -1.000) 4.407 16.324 ( 3.648 -0.183 -2.054) 4.190 16.733 ( -3.425 15.619 0.676) 16.004 17.088 ( 11.467 21.882 4.417) 25.096 17.211 ( -11.604 4.359 -7.466) 14.470 17.444 ( 0.231 -0.384 -8.119) 8.131 18.203 ( -14.502 -10.247 1.189) 17.797 18.704 ( 14.694 -10.272 9.112) 20.111 21.484 ( 0.380 0.789 -2.746) 2.882 21.496 ( 0.092 1.229 -3.915) 4.104 21.515 ( -3.127 1.311 0.677) 3.458 21.597 ( -1.668 0.615 1.956) 2.643 21.747 ( -1.612 1.031 -1.882) 2.684 21.789 ( 1.567 0.552 1.518) 2.250 22.280 ( 1.224 -2.416 6.750) 7.273 22.296 ( 1.305 -2.388 6.497) 7.043 22.406 ( -0.754 -7.733 -1.325) 7.882 22.509 ( 0.563 -7.134 -0.099) 7.156 22.993 ( -6.078 10.057 -7.680) 14.038 23.117 ( 3.667 9.364 -3.468) 10.637 ======================= Grid point 79 (37/112) ======================= q-point: (-0.22 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -12.847 22.047 3.059) 25.699 0.992 ( -22.174 13.066 -4.802) 26.182 1.353 ( 8.308 6.593 0.515) 10.618 1.819 ( -25.431 30.936 -3.067) 40.165 2.188 ( 0.894 4.848 1.584) 5.178 2.301 ( 12.729 -4.656 -0.544) 13.565 2.440 ( 10.746 0.770 -0.100) 10.774 2.574 ( 2.891 -5.436 9.958) 11.708 2.675 ( 12.436 -1.329 -4.051) 13.146 2.771 ( -3.996 -0.591 -0.449) 4.064 2.798 ( -2.999 1.715 -3.417) 4.860 2.842 ( 6.894 0.444 2.394) 7.311 3.048 ( 3.676 -4.773 0.805) 6.078 3.078 ( 1.724 -3.929 3.720) 5.679 3.168 ( 6.755 -6.121 -1.304) 9.209 3.210 ( -1.422 -1.873 12.542) 12.760 3.278 ( 4.245 0.932 6.677) 7.966 3.339 ( -3.657 -2.799 -1.743) 4.924 3.394 ( 7.177 3.212 0.469) 7.877 3.524 ( 2.807 -2.798 -0.838) 4.051 3.597 ( -5.311 -5.957 2.353) 8.320 3.678 ( 0.963 -0.425 -4.510) 4.631 3.811 ( 6.616 -2.460 1.213) 7.162 3.950 ( 4.740 -1.364 4.590) 6.738 4.107 ( 1.937 8.470 1.888) 8.891 4.177 ( -0.542 6.764 -1.403) 6.930 4.221 ( 4.078 -0.905 -3.725) 5.596 4.300 ( 1.068 -2.645 -4.351) 5.203 4.324 ( 0.675 6.052 -4.082) 7.331 4.488 ( -1.389 4.339 -2.993) 5.451 4.669 ( -6.679 6.655 -1.539) 9.554 4.715 ( -4.546 10.177 2.464) 11.416 4.847 ( -2.211 3.380 0.797) 4.117 4.902 ( -5.639 2.168 -2.538) 6.552 4.966 ( -7.162 0.039 -1.276) 7.275 5.047 ( -8.980 3.308 6.267) 11.439 5.117 ( -3.029 -1.165 -0.344) 3.264 5.155 ( -5.313 0.836 2.080) 5.767 5.256 ( -7.304 5.077 -2.605) 9.269 5.394 ( -4.034 3.131 -3.032) 5.939 5.611 ( -0.757 -4.156 -1.317) 4.425 5.706 ( -1.710 -1.193 -5.846) 6.207 6.084 ( 1.187 -3.921 -1.584) 4.392 6.123 ( -1.372 -4.111 -0.283) 4.343 6.196 ( 5.432 1.530 -2.273) 6.084 6.324 ( 3.894 3.578 5.206) 7.421 6.404 ( 3.906 0.611 -4.144) 5.728 6.529 ( 1.834 -5.974 -1.331) 6.390 6.668 ( -1.231 -0.478 1.097) 1.717 6.763 ( 10.245 3.593 2.613) 11.167 6.821 ( 1.843 -2.156 -10.524) 10.900 6.904 ( -1.929 -3.668 -0.229) 4.150 7.001 ( -0.358 1.494 6.486) 6.666 7.122 ( -0.294 -3.417 -3.056) 4.594 7.238 ( -8.328 1.511 6.106) 10.437 7.310 ( -0.103 1.798 0.581) 1.892 7.343 ( 8.272 0.101 5.825) 10.118 7.418 ( -4.830 4.008 -2.019) 6.593 7.674 ( -0.567 3.393 -2.014) 3.986 7.722 ( -0.080 0.255 -6.430) 6.435 7.757 ( -1.854 10.700 -0.809) 10.890 7.952 ( -2.486 2.553 0.599) 3.613 7.983 ( 3.487 6.103 -9.375) 11.717 8.213 ( -14.829 1.033 -2.531) 15.079 8.364 ( -1.526 2.096 -0.234) 2.604 8.574 ( -0.679 4.295 -1.498) 4.599 8.661 ( -10.407 1.386 1.703) 10.636 8.742 ( 0.410 -2.688 2.866) 3.950 8.908 ( -2.159 3.569 -2.453) 4.839 9.165 ( -0.797 -7.221 -0.213) 7.268 9.272 ( 0.860 -4.312 3.114) 5.388 9.306 ( -1.005 -5.190 1.889) 5.614 9.409 ( -1.416 -1.230 -3.035) 3.568 9.565 ( 4.303 -0.632 0.053) 4.349 9.688 ( 5.287 -3.171 2.297) 6.579 9.727 ( 3.166 -5.815 0.303) 6.628 9.979 ( -2.647 -0.168 3.962) 4.768 10.063 ( -4.022 -4.282 2.242) 6.288 10.341 ( 4.620 -3.154 -4.345) 7.083 10.423 ( 2.658 4.686 2.333) 5.871 10.579 ( 1.281 -9.312 -12.580) 15.704 10.739 ( 1.890 -3.251 -2.410) 4.466 11.044 ( 6.098 -2.595 1.223) 6.739 11.084 ( 0.888 -2.749 -3.286) 4.375 11.130 ( 2.774 -0.780 0.047) 2.882 11.218 ( -1.606 -0.369 2.409) 2.919 11.598 ( 4.798 0.039 1.795) 5.123 11.752 ( 2.806 4.081 -1.408) 5.149 12.004 ( -3.950 1.465 5.324) 6.789 12.464 ( 0.523 2.996 2.978) 4.257 12.482 ( 0.484 4.367 10.558) 11.435 12.834 ( -8.927 -2.982 4.919) 10.620 12.889 ( 4.106 0.186 -3.755) 5.567 13.068 ( -1.260 -1.238 0.744) 1.917 13.254 ( -0.177 -6.745 -0.192) 6.750 13.434 ( 3.166 -2.003 1.677) 4.105 14.809 ( -7.752 6.460 -2.711) 10.449 15.729 ( 18.583 2.777 12.621) 22.635 15.922 ( -2.044 -16.604 0.006) 16.730 16.098 ( 0.945 -11.939 1.597) 12.083 16.267 ( 3.116 0.258 -6.447) 7.165 16.329 ( 4.597 -0.480 -5.590) 7.254 16.698 ( -2.180 13.915 -0.035) 14.084 16.937 ( -16.115 4.952 -2.947) 17.115 17.311 ( 7.200 10.631 1.137) 12.889 17.374 ( 3.931 10.302 -1.493) 11.127 18.002 ( -13.352 -12.219 -0.556) 18.108 18.985 ( 11.771 -11.832 4.495) 17.284 21.432 ( -1.238 1.115 -2.228) 2.782 21.468 ( -1.079 0.662 -0.583) 1.394 21.499 ( -0.616 1.737 0.605) 1.940 21.578 ( -3.473 1.853 0.432) 3.960 21.737 ( 2.585 -0.851 -0.644) 2.797 21.816 ( -0.028 -0.579 1.037) 1.188 22.327 ( -1.452 -8.693 -1.628) 8.963 22.366 ( 0.288 -3.322 3.453) 4.800 22.406 ( -0.085 -0.487 2.020) 2.079 22.506 ( -0.288 -3.659 -1.393) 3.925 22.825 ( -5.246 10.824 -4.103) 12.709 23.153 ( 4.754 7.331 0.537) 8.754 ======================= Grid point 80 (38/112) ======================= q-point: (-0.11 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -9.883 26.241 4.049) 28.331 0.807 ( -13.069 26.360 7.892) 30.462 1.464 ( -6.588 26.246 8.356) 28.321 1.490 ( -11.634 27.494 6.960) 30.655 2.118 ( 10.110 3.174 -15.882) 19.093 2.521 ( -2.602 -3.336 6.236) 7.536 2.565 ( 8.242 -2.982 -4.991) 10.086 2.598 ( 3.422 -2.065 -5.441) 6.752 2.651 ( 0.518 -1.582 -3.443) 3.824 2.738 ( 1.120 0.061 -0.561) 1.254 2.795 ( -1.075 -0.456 2.637) 2.884 2.945 ( 5.027 -3.149 -1.599) 6.144 3.105 ( 4.737 -5.209 -6.293) 9.443 3.149 ( 8.330 -8.149 -3.256) 12.100 3.194 ( 1.951 -2.333 -2.926) 4.220 3.240 ( 4.204 -3.725 -6.624) 8.684 3.282 ( 0.950 -4.829 -2.461) 5.503 3.409 ( 1.936 0.111 2.250) 2.970 3.456 ( -0.037 -4.318 3.094) 5.312 3.500 ( -3.221 -1.680 -0.307) 3.646 3.662 ( -0.468 -2.420 0.497) 2.515 3.710 ( 11.460 4.673 0.980) 12.415 3.870 ( -2.179 4.207 -7.354) 8.748 3.948 ( 4.384 -3.789 -2.989) 6.521 4.114 ( -4.143 1.646 6.267) 7.691 4.175 ( 5.812 11.894 -4.074) 13.851 4.239 ( 7.231 5.781 2.939) 9.713 4.307 ( 0.768 -0.780 -2.057) 2.330 4.423 ( -1.221 -5.818 5.685) 8.225 4.496 ( -12.107 2.403 -1.236) 12.405 4.508 ( -0.240 5.787 8.009) 9.884 4.591 ( -9.976 5.245 -0.158) 11.272 4.783 ( -7.884 4.510 3.453) 9.718 4.806 ( -9.201 8.474 3.107) 12.889 4.905 ( -3.877 7.307 0.365) 8.280 4.965 ( -8.393 2.926 1.537) 9.021 5.093 ( -1.512 -2.125 -2.528) 3.632 5.128 ( 0.336 2.902 6.153) 6.811 5.256 ( 1.988 4.636 -1.931) 5.401 5.377 ( 2.952 0.252 1.081) 3.153 5.563 ( 1.006 -1.888 -4.165) 4.683 5.694 ( 2.442 -2.477 2.467) 4.264 6.042 ( -0.487 -5.363 -2.070) 5.769 6.082 ( -2.952 -4.065 -0.840) 5.094 6.213 ( 6.995 5.164 -6.871) 11.082 6.415 ( 0.551 0.691 -0.785) 1.182 6.473 ( -0.319 -0.412 11.972) 11.983 6.573 ( 3.617 -7.802 -2.222) 8.882 6.665 ( 5.247 -1.450 -4.886) 7.314 6.760 ( 2.088 1.313 0.076) 2.467 6.847 ( -1.729 -5.375 0.148) 5.648 6.938 ( 0.390 -5.147 4.886) 7.107 7.036 ( -0.201 0.504 -0.926) 1.074 7.078 ( -4.041 0.648 3.743) 5.546 7.209 ( -3.435 0.148 10.095) 10.664 7.291 ( -10.555 0.176 4.427) 11.448 7.361 ( 0.272 2.592 4.971) 5.613 7.589 ( 9.213 0.169 -1.355) 9.314 7.636 ( -2.058 1.215 0.094) 2.391 7.694 ( 2.650 1.634 2.664) 4.098 7.776 ( 0.401 11.459 4.153) 12.195 7.933 ( 4.581 9.521 -3.760) 11.215 7.969 ( -1.408 0.381 3.457) 3.752 8.032 ( -1.313 7.175 -2.967) 7.874 8.298 ( -3.804 6.382 -2.573) 7.863 8.522 ( -9.987 0.245 0.539) 10.004 8.575 ( -0.319 1.649 -0.282) 1.703 8.703 ( -3.444 2.698 -6.253) 7.632 8.879 ( -1.392 -1.854 -0.122) 2.322 9.134 ( 1.610 -7.542 -4.992) 9.186 9.275 ( -0.053 -3.155 -2.971) 4.334 9.291 ( -4.291 -7.056 1.138) 8.336 9.389 ( 0.955 -0.260 2.459) 2.651 9.633 ( 6.008 -1.640 -0.991) 6.306 9.741 ( -0.805 -3.552 0.401) 3.664 9.778 ( 1.674 -5.766 2.495) 6.502 9.961 ( -3.413 -2.202 -0.190) 4.066 10.029 ( -8.035 -2.636 4.553) 9.604 10.334 ( 3.766 -2.223 -4.545) 6.307 10.370 ( -0.098 3.042 -11.510) 11.906 10.481 ( 6.405 2.218 -2.786) 7.329 10.763 ( 3.056 -0.897 -0.074) 3.186 11.046 ( 2.089 -2.337 -4.014) 5.093 11.110 ( 1.897 -3.869 -0.858) 4.393 11.164 ( 2.641 0.628 -0.619) 2.785 11.218 ( -3.966 -2.607 1.989) 5.146 11.676 ( 4.440 -0.316 -0.696) 4.505 11.760 ( 2.081 4.741 -2.326) 5.677 12.013 ( -4.261 -0.369 4.219) 6.008 12.443 ( 3.281 5.456 -2.941) 7.013 12.647 ( -2.126 -6.455 3.987) 7.880 12.890 ( 3.174 -0.458 -4.425) 5.465 12.919 ( -7.347 -9.899 19.534) 23.099 13.059 ( -2.287 -3.391 0.594) 4.133 13.208 ( -1.088 -1.104 -2.294) 2.769 13.484 ( 2.605 -2.270 -0.981) 3.592 14.709 ( -2.860 7.292 -0.488) 7.848 15.905 ( -1.069 -17.082 0.641) 17.128 16.095 ( 14.487 3.779 -12.265) 19.354 16.116 ( -0.200 0.598 -1.967) 2.066 16.191 ( 4.348 -0.372 7.583) 8.749 16.327 ( 8.959 -1.653 -5.153) 10.466 16.676 ( -1.317 12.829 0.235) 12.899 16.728 ( -17.073 4.608 7.819) 19.335 17.331 ( -2.510 -1.937 2.402) 3.978 17.399 ( -6.052 7.435 3.484) 10.200 17.912 ( 5.260 -1.463 -6.610) 8.573 19.123 ( 5.908 -12.192 -2.578) 13.791 21.403 ( -0.896 1.216 0.302) 1.540 21.449 ( -0.965 0.715 -0.192) 1.217 21.504 ( -0.200 1.705 0.742) 1.870 21.541 ( -1.751 2.596 0.187) 3.137 21.768 ( 2.531 -2.681 -1.256) 3.896 21.821 ( -0.731 -1.212 0.672) 1.566 22.269 ( -0.534 -0.961 -2.102) 2.372 22.385 ( 0.209 -1.463 -0.395) 1.530 22.413 ( -1.546 -2.589 0.399) 3.042 22.468 ( -0.396 -1.296 -1.676) 2.155 22.765 ( -2.784 8.990 2.866) 9.838 23.233 ( 2.789 1.709 0.923) 3.399 ======================= Grid point 81 (39/112) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -2.874 22.270 5.520) 23.123 1.353 ( -1.196 25.633 3.725) 25.930 1.661 ( -4.610 8.834 -1.589) 10.090 2.053 ( 2.777 -4.627 -14.226) 15.215 2.199 ( 2.879 -4.036 -14.059) 14.908 2.426 ( 1.098 16.509 3.415) 16.894 2.483 ( 5.643 -9.696 -7.144) 13.300 2.541 ( -3.101 11.925 -2.060) 12.492 2.644 ( 3.250 -6.242 -5.051) 8.662 2.692 ( 0.487 2.161 -0.955) 2.413 2.766 ( -0.308 -2.860 2.200) 3.621 2.840 ( 3.149 2.797 -5.352) 6.811 2.995 ( -0.505 -3.307 -5.565) 6.493 3.075 ( -2.379 -4.410 0.371) 5.024 3.105 ( 5.082 -2.050 -0.821) 5.541 3.189 ( -0.300 1.604 -2.338) 2.851 3.263 ( -3.275 4.629 -3.120) 6.472 3.363 ( -2.603 -2.211 -3.149) 4.645 3.374 ( 3.225 -4.081 -0.357) 5.214 3.491 ( -3.353 4.497 -0.404) 5.624 3.681 ( 0.230 -0.368 2.648) 2.684 3.727 ( -5.025 0.763 -6.391) 8.166 3.870 ( -1.655 -5.701 -8.632) 10.476 3.937 ( -5.411 1.411 1.434) 5.773 4.044 ( -0.766 -2.281 -0.407) 2.441 4.119 ( 1.354 -10.881 12.184) 16.391 4.248 ( -2.616 -1.593 0.408) 3.090 4.330 ( 11.719 -2.696 -0.825) 12.053 4.429 ( -1.537 4.861 5.370) 7.404 4.618 ( -1.822 8.788 4.809) 10.183 4.653 ( -0.537 -3.394 6.582) 7.425 4.792 ( 1.736 4.278 1.458) 4.841 4.865 ( 0.292 4.274 -4.307) 6.074 4.928 ( 1.231 1.881 0.916) 2.427 5.033 ( -0.203 12.297 -0.610) 12.314 5.090 ( -1.284 11.843 2.921) 12.265 5.130 ( 1.060 8.791 1.325) 8.954 5.257 ( -3.838 4.164 7.517) 9.411 5.336 ( -0.145 3.314 -1.378) 3.591 5.438 ( -0.334 3.770 1.959) 4.262 5.551 ( 1.360 2.882 -1.794) 3.657 5.741 ( 0.897 -3.132 6.423) 7.202 5.886 ( 1.110 -10.586 -3.807) 11.304 5.988 ( 1.741 -3.421 4.954) 6.267 6.143 ( 2.096 -6.909 -1.323) 7.341 6.186 ( -5.583 -13.240 1.356) 14.433 6.500 ( 1.337 3.100 -5.851) 6.756 6.598 ( 3.178 1.521 -0.920) 3.641 6.678 ( -0.399 -5.637 0.498) 5.673 6.714 ( -2.616 -1.237 -4.459) 5.316 6.735 ( 2.363 3.876 -3.099) 5.497 6.872 ( -1.099 -3.363 0.123) 3.540 7.130 ( 0.615 1.993 10.652) 10.854 7.178 ( -0.736 0.054 8.578) 8.610 7.275 ( -1.698 -1.156 9.297) 9.522 7.293 ( 0.721 -0.791 6.730) 6.815 7.390 ( -2.987 0.940 7.633) 8.250 7.534 ( -0.190 -3.129 2.180) 3.819 7.761 ( -1.451 0.441 4.793) 5.027 7.779 ( -5.487 1.492 4.462) 7.228 7.950 ( 1.559 5.211 5.430) 7.686 8.152 ( 4.239 2.847 0.730) 5.158 8.202 ( -2.866 11.464 -1.931) 11.973 8.227 ( 2.966 6.263 3.703) 7.858 8.405 ( 6.437 3.147 -0.936) 7.226 8.471 ( -2.254 5.991 -1.815) 6.653 8.516 ( 1.996 -1.914 -2.929) 4.028 8.655 ( -4.849 5.667 -2.726) 7.941 8.863 ( 3.146 -4.986 -0.825) 5.953 9.073 ( 3.805 -0.048 0.396) 3.826 9.156 ( -0.904 2.398 -0.686) 2.653 9.199 ( 1.173 -2.156 -1.228) 2.744 9.411 ( -0.186 -0.115 -0.885) 0.911 9.560 ( 1.751 -8.509 1.121) 8.759 9.590 ( -2.285 -6.216 -3.436) 7.461 9.693 ( -5.741 -7.352 0.341) 9.335 9.837 ( 0.781 -2.476 -1.666) 3.085 9.925 ( -3.964 -3.377 1.863) 5.531 10.342 ( 5.196 1.024 -3.059) 6.116 10.401 ( 4.509 1.060 -6.111) 7.668 10.540 ( 5.619 0.945 -5.104) 7.649 10.666 ( -4.405 -10.222 3.652) 11.714 10.955 ( 0.465 1.206 -5.523) 5.672 11.035 ( -0.013 -2.780 -1.774) 3.298 11.115 ( -1.542 -0.919 1.321) 2.229 11.213 ( 1.746 -1.697 1.336) 2.778 11.701 ( 0.266 2.673 -2.742) 3.839 11.850 ( 4.623 -0.504 -3.634) 5.902 12.033 ( -5.913 7.381 4.591) 10.513 12.477 ( -1.954 -9.734 2.795) 10.314 12.619 ( 3.450 6.966 -0.184) 7.775 12.744 ( -9.519 3.864 -1.180) 10.341 12.924 ( 4.521 -3.766 -0.864) 5.947 12.979 ( -1.338 -5.648 3.347) 6.700 13.191 ( -0.842 2.217 -3.776) 4.459 13.384 ( -0.441 -4.483 -4.076) 6.076 14.928 ( 1.602 11.954 2.677) 12.355 15.546 ( 0.384 -17.143 0.471) 17.154 15.888 ( -5.833 2.619 -18.506) 19.580 15.984 ( -4.613 -2.914 -10.482) 11.817 16.425 ( 5.897 0.311 -0.825) 5.963 16.438 ( 6.138 -0.264 -0.867) 6.204 16.909 ( -1.343 11.475 17.191) 20.712 16.944 ( -1.021 10.853 3.552) 11.465 17.249 ( -0.083 -3.969 2.362) 4.619 17.466 ( -0.241 -11.082 20.229) 23.067 17.949 ( 0.008 14.981 -15.775) 21.755 18.740 ( -0.720 -19.215 -9.428) 21.416 21.441 ( 0.625 1.190 1.157) 1.774 21.457 ( 0.188 0.658 -0.072) 0.688 21.557 ( -0.229 2.612 0.735) 2.723 21.599 ( -0.472 2.459 1.027) 2.706 21.719 ( 0.428 -1.226 0.117) 1.304 21.784 ( -0.473 -2.154 1.009) 2.425 22.306 ( -0.635 0.287 -0.646) 0.950 22.335 ( -1.166 -0.238 -3.652) 3.841 22.380 ( 1.705 -1.263 -1.752) 2.751 22.403 ( 1.069 -1.526 -2.393) 3.033 22.991 ( 0.254 8.261 6.325) 10.408 23.221 ( -0.317 -2.419 2.266) 3.330 ======================= Grid point 82 (40/112) ======================= q-point: ( 0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -5.281 16.728 4.929) 18.221 1.451 ( 4.329 16.320 9.905) 19.575 1.503 ( -9.010 10.706 -5.285) 14.958 1.862 ( -3.642 -4.028 -7.481) 9.244 2.097 ( 0.739 2.075 -7.580) 7.893 2.296 ( -6.254 3.950 -13.012) 14.967 2.377 ( -11.027 3.606 -8.829) 14.579 2.476 ( 1.840 -3.579 -5.873) 7.119 2.599 ( -1.438 1.524 -2.067) 2.943 2.665 ( 3.803 -7.186 -6.212) 10.232 2.811 ( 3.505 4.791 -2.363) 6.390 2.820 ( 0.861 -2.665 -2.875) 4.014 2.921 ( -3.139 -8.904 -4.219) 10.341 3.023 ( -4.110 -7.127 4.464) 9.360 3.098 ( -4.040 1.362 -5.089) 6.639 3.127 ( -1.651 -0.626 -4.778) 5.094 3.221 ( -1.149 0.363 -0.416) 1.275 3.304 ( -2.193 -2.658 -3.057) 4.607 3.398 ( -3.245 -0.180 1.876) 3.752 3.477 ( 0.608 2.321 3.665) 4.381 3.558 ( -4.776 2.735 -4.595) 7.170 3.733 ( -3.244 -0.639 0.406) 3.331 3.740 ( -0.299 -0.037 3.230) 3.244 3.838 ( -10.086 -1.494 0.447) 10.206 3.927 ( -6.227 -1.014 0.919) 6.376 4.337 ( 10.726 1.274 3.060) 11.226 4.365 ( 5.662 1.265 7.499) 9.481 4.462 ( 12.972 5.623 -1.769) 14.248 4.603 ( 11.316 2.744 7.872) 14.055 4.639 ( 2.544 4.562 -1.517) 5.439 4.759 ( 1.764 -0.171 4.174) 4.534 4.806 ( 1.938 -0.159 -1.279) 2.328 4.861 ( 3.453 3.742 1.102) 5.210 4.937 ( 1.565 1.343 -0.093) 2.064 5.060 ( 7.625 13.607 -3.444) 15.973 5.119 ( 0.957 11.162 -2.216) 11.420 5.192 ( 0.377 6.793 7.848) 10.387 5.303 ( -0.412 -0.762 1.232) 1.507 5.371 ( -0.183 3.640 7.985) 8.778 5.442 ( -1.137 6.433 0.600) 6.560 5.580 ( 3.792 0.703 1.945) 4.319 5.817 ( -0.269 -5.576 2.689) 6.197 5.879 ( -0.632 -7.135 2.561) 7.607 6.041 ( -1.170 -2.130 2.387) 3.407 6.101 ( -4.718 -5.719 0.293) 7.420 6.154 ( -0.835 -7.798 -0.564) 7.862 6.444 ( 3.028 4.960 -6.658) 8.838 6.521 ( -1.898 5.374 -9.427) 11.016 6.658 ( 1.591 -4.031 -2.257) 4.887 6.725 ( 0.732 -0.508 -0.020) 0.891 6.760 ( 4.668 -5.226 -0.139) 7.009 6.852 ( -1.313 -8.937 -0.231) 9.036 7.191 ( -3.123 2.897 0.298) 4.270 7.289 ( 1.369 2.745 7.862) 8.439 7.332 ( 1.041 1.755 0.411) 2.082 7.418 ( -1.268 -0.582 10.913) 11.002 7.508 ( -2.956 1.886 12.443) 12.928 7.650 ( -8.092 0.199 9.972) 12.844 7.787 ( 4.203 -2.098 6.159) 7.746 7.799 ( -1.527 -2.076 9.851) 10.183 8.032 ( -0.039 4.535 1.596) 4.808 8.132 ( -2.807 8.930 5.559) 10.887 8.184 ( -1.990 4.131 1.304) 4.767 8.325 ( 1.992 1.565 4.253) 4.950 8.424 ( 3.262 1.819 -6.072) 7.129 8.517 ( -2.788 -0.745 -1.142) 3.104 8.553 ( 10.599 7.210 -0.635) 12.834 8.624 ( 10.175 8.863 -0.302) 13.497 8.925 ( 5.970 -0.557 1.029) 6.084 9.094 ( -1.311 0.827 -3.696) 4.008 9.125 ( 5.505 2.188 -6.654) 8.909 9.193 ( 1.371 -0.953 -2.102) 2.684 9.378 ( -3.426 -0.618 -1.135) 3.661 9.463 ( -6.432 -7.027 -2.322) 9.806 9.565 ( -4.412 -9.481 -3.209) 10.938 9.621 ( -2.989 -12.656 2.109) 13.174 9.849 ( 1.917 -1.794 0.972) 2.800 9.901 ( -3.170 -0.381 0.808) 3.294 10.296 ( 2.559 3.955 -9.892) 10.956 10.405 ( 0.442 -4.836 -1.538) 5.094 10.570 ( 6.091 -1.952 -1.862) 6.662 10.644 ( -6.001 -9.394 3.098) 11.569 10.844 ( 0.927 2.081 -9.380) 9.653 11.038 ( 1.869 -4.962 -1.080) 5.411 11.128 ( -0.603 2.288 2.583) 3.503 11.260 ( 1.513 -0.397 2.667) 3.092 11.633 ( -3.578 3.499 -3.507) 6.111 11.831 ( 0.755 -2.974 -5.003) 5.869 12.045 ( -2.564 10.381 5.961) 12.242 12.486 ( -3.370 -4.451 1.706) 5.837 12.613 ( -5.145 5.425 0.220) 7.480 12.668 ( 3.773 1.167 -0.675) 4.006 12.972 ( 2.929 -3.824 0.173) 4.819 13.001 ( -3.100 -4.352 3.467) 6.369 13.115 ( -0.857 -0.064 -4.205) 4.292 13.299 ( -2.001 -3.998 -5.371) 6.988 15.023 ( 3.772 10.081 5.422) 12.052 15.490 ( -5.284 -2.763 -12.598) 13.937 15.633 ( -1.922 -8.883 -1.286) 9.179 15.802 ( -4.038 -9.229 -6.907) 12.214 16.415 ( -3.575 0.701 -0.894) 3.752 16.442 ( -1.967 -0.412 -0.848) 2.181 16.993 ( -0.096 12.074 4.711) 12.961 17.176 ( 7.464 9.840 11.856) 17.121 17.330 ( 5.760 -3.766 2.941) 7.484 17.665 ( -5.702 9.706 -14.554) 18.399 17.784 ( 5.137 -3.708 15.457) 16.705 18.541 ( -5.360 -18.297 -12.391) 22.739 21.465 ( 1.468 1.229 -0.211) 1.927 21.478 ( 2.393 0.553 0.560) 2.520 21.569 ( 0.061 2.298 1.338) 2.660 21.612 ( -0.514 1.075 1.937) 2.274 21.735 ( 1.429 1.022 0.631) 1.867 21.792 ( -0.039 -0.719 0.524) 0.890 22.249 ( -1.607 -2.038 -3.973) 4.746 22.285 ( -1.995 -2.703 -0.936) 3.488 22.362 ( -3.688 -0.872 -0.673) 3.849 22.369 ( -0.886 -2.397 -1.916) 3.194 23.112 ( 4.504 7.455 5.943) 10.544 23.255 ( 2.113 1.094 0.780) 2.504 ======================= Grid point 83 (41/112) ======================= q-point: ( 0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( -8.346 15.785 -4.058) 18.311 1.403 ( -7.485 8.675 2.169) 11.661 1.528 ( -7.563 13.860 -4.778) 16.497 1.798 ( -1.886 1.342 1.878) 2.981 1.965 ( -8.917 -2.236 -4.995) 10.462 2.076 ( -4.120 4.599 -6.487) 8.956 2.145 ( -3.898 3.643 2.405) 5.853 2.388 ( -3.127 -7.003 -6.397) 9.987 2.498 ( -6.918 -2.895 -4.267) 8.628 2.630 ( 2.056 -10.722 -4.932) 11.980 2.707 ( -4.267 0.199 -2.811) 5.114 2.753 ( -8.476 -14.833 -3.816) 17.505 2.883 ( 3.147 1.478 -2.079) 4.051 2.950 ( -5.996 0.353 -5.295) 8.007 2.987 ( -6.811 -0.798 -2.886) 7.441 3.101 ( -3.004 -4.507 4.622) 7.120 3.113 ( -6.806 0.196 -2.575) 7.279 3.204 ( 0.257 -3.262 -6.881) 7.619 3.399 ( -0.701 -2.117 1.138) 2.504 3.457 ( -2.035 1.687 -1.897) 3.254 3.491 ( 0.018 -2.356 -0.564) 2.423 3.673 ( -6.742 -7.339 0.764) 9.995 3.766 ( -1.015 1.384 -0.083) 1.718 3.846 ( -0.713 -2.946 6.543) 7.211 4.085 ( 11.132 20.281 16.292) 28.296 4.430 ( 4.316 10.076 0.987) 11.006 4.561 ( 4.293 1.241 -1.268) 4.645 4.613 ( 10.515 6.062 5.519) 13.334 4.704 ( 7.144 4.263 0.121) 8.321 4.777 ( 2.997 4.405 -1.960) 5.677 4.831 ( 13.471 8.576 -4.850) 16.689 4.865 ( 5.755 6.276 -1.310) 8.615 4.967 ( 10.405 0.342 2.021) 10.605 5.007 ( 5.612 0.917 4.232) 7.088 5.095 ( 6.315 6.237 -6.098) 10.769 5.149 ( 6.042 11.610 2.334) 13.295 5.308 ( -0.620 -6.833 4.261) 8.076 5.348 ( 6.857 4.418 4.407) 9.271 5.437 ( 1.685 6.642 0.275) 6.857 5.467 ( -0.816 2.957 5.390) 6.202 5.693 ( 3.200 -3.951 4.283) 6.648 5.820 ( -0.676 -6.459 1.524) 6.671 5.899 ( -6.100 -1.673 5.962) 8.692 6.028 ( -2.452 -5.198 -0.162) 5.749 6.069 ( -2.794 -0.654 -4.216) 5.100 6.117 ( -0.679 -4.400 1.296) 4.637 6.343 ( -3.414 4.908 -8.239) 10.180 6.411 ( 0.791 4.659 -3.773) 6.047 6.643 ( 1.202 -3.706 -3.937) 5.539 6.692 ( -8.125 -3.458 2.814) 9.267 6.791 ( -0.682 -4.136 -1.156) 4.349 6.830 ( 3.081 -10.397 -4.491) 11.737 7.149 ( -3.566 -0.007 1.192) 3.760 7.247 ( -5.207 -1.019 -1.080) 5.415 7.434 ( 1.204 5.242 2.372) 5.878 7.528 ( -3.644 0.066 8.505) 9.254 7.602 ( -4.881 4.734 4.925) 8.396 7.634 ( 0.468 8.539 8.763) 12.244 7.902 ( 0.847 0.032 5.624) 5.687 7.991 ( 5.660 -6.194 -1.131) 8.467 8.031 ( 1.799 0.811 5.995) 6.312 8.191 ( -2.725 -0.093 4.404) 5.179 8.272 ( 3.140 1.014 10.480) 10.987 8.396 ( 2.659 1.746 -0.866) 3.297 8.414 ( 1.569 9.339 2.244) 9.732 8.468 ( -0.244 0.741 -0.155) 0.796 8.671 ( 7.545 2.156 -0.220) 7.850 8.793 ( 10.582 8.759 0.169) 13.737 8.913 ( 1.874 6.218 -12.676) 14.243 9.072 ( 1.445 -0.071 -6.828) 6.980 9.089 ( 4.427 -0.074 -2.472) 5.070 9.190 ( 5.924 2.652 -3.827) 7.535 9.294 ( -7.148 -6.291 3.115) 10.019 9.402 ( -6.943 -7.422 3.809) 10.853 9.437 ( -2.888 -7.831 -2.451) 8.698 9.617 ( -2.610 -10.384 1.752) 10.849 9.852 ( -3.446 2.662 -0.994) 4.467 9.918 ( 3.413 -2.239 3.327) 5.266 10.180 ( 1.789 3.152 -10.699) 11.296 10.337 ( -3.727 -7.560 -4.673) 9.637 10.567 ( -7.527 -4.909 0.657) 9.011 10.635 ( 3.248 -5.520 0.150) 6.406 10.789 ( 3.841 2.496 -4.014) 6.091 11.035 ( 1.509 -7.696 -2.651) 8.279 11.162 ( -0.111 5.020 2.771) 5.735 11.332 ( 1.988 0.396 4.292) 4.747 11.523 ( -5.962 3.167 -2.409) 7.168 11.746 ( -1.747 -4.596 -5.892) 7.674 12.110 ( -1.064 12.411 6.456) 14.030 12.413 ( -7.427 6.161 1.121) 9.714 12.622 ( 3.365 1.155 -0.710) 3.628 12.713 ( 3.357 -6.947 0.841) 7.762 12.949 ( -3.809 -0.722 -2.703) 4.726 13.006 ( -0.684 -5.408 2.181) 5.871 13.095 ( 0.234 -3.327 0.096) 3.337 13.211 ( -1.333 -3.599 -2.777) 4.737 15.158 ( 3.255 7.666 5.949) 10.235 15.217 ( -6.591 6.063 -10.569) 13.853 15.665 ( 0.340 -12.968 1.721) 13.086 15.691 ( -1.607 -13.456 -1.843) 13.677 16.333 ( -5.410 1.309 -1.725) 5.828 16.382 ( -4.207 -0.786 -1.311) 4.476 17.059 ( -0.668 13.760 5.512) 14.838 17.366 ( 0.535 9.882 -2.030) 10.103 17.412 ( 1.219 6.774 -5.127) 8.582 17.468 ( 6.230 -0.101 3.778) 7.287 18.039 ( 3.933 -8.212 10.926) 14.223 18.300 ( -5.489 -13.822 -10.741) 18.345 21.490 ( 2.808 1.621 -0.216) 3.250 21.514 ( 2.927 0.561 -0.847) 3.099 21.593 ( 0.304 1.902 1.469) 2.422 21.640 ( 0.259 -0.205 2.310) 2.334 21.771 ( 1.825 2.038 0.861) 2.868 21.792 ( -0.190 1.329 -0.374) 1.394 22.170 ( -3.371 -1.026 -2.434) 4.282 22.227 ( -4.877 -1.817 -1.628) 5.454 22.298 ( -2.872 -4.077 -0.035) 4.987 22.329 ( -1.758 -5.490 -1.134) 5.876 23.252 ( 5.391 5.967 4.060) 9.008 23.294 ( 2.973 4.146 -0.363) 5.115 ======================= Grid point 84 (42/112) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -7.612 14.482 -3.308) 16.691 1.236 ( -8.645 13.378 -4.996) 16.693 1.354 ( -6.356 6.884 6.793) 11.573 1.762 ( -15.241 0.018 4.832) 15.988 1.820 ( -1.166 -5.809 -1.492) 6.110 1.972 ( -5.032 4.457 0.033) 6.722 2.201 ( -5.457 -5.199 -0.977) 7.601 2.239 ( -5.551 -10.659 -1.108) 12.069 2.400 ( 3.039 0.453 0.861) 3.191 2.584 ( -1.963 -7.377 -0.284) 7.639 2.640 ( 4.285 -2.821 -5.876) 7.801 2.699 ( -3.176 -6.493 3.019) 7.834 2.803 ( -10.423 -2.092 1.147) 10.693 2.827 ( -7.099 -2.389 2.593) 7.927 2.902 ( 1.991 1.135 -5.089) 5.581 3.007 ( -1.847 0.027 -4.144) 4.537 3.058 ( -5.241 0.989 1.325) 5.496 3.212 ( 0.942 -2.180 3.518) 4.244 3.366 ( -2.383 2.437 -1.864) 3.884 3.423 ( -2.577 3.343 0.977) 4.333 3.499 ( -1.488 -2.985 2.301) 4.052 3.644 ( -0.225 -8.885 0.670) 8.913 3.764 ( 1.537 -0.244 -0.903) 1.800 3.900 ( 1.256 -8.263 1.087) 8.428 4.418 ( 7.073 21.085 7.311) 23.410 4.498 ( 4.748 15.198 -2.235) 16.078 4.613 ( 4.514 5.792 3.420) 8.101 4.722 ( 4.871 4.690 -4.906) 8.355 4.774 ( 5.313 7.266 1.107) 9.069 4.810 ( 2.162 4.721 0.640) 5.232 4.866 ( 9.769 9.535 -10.169) 17.022 4.965 ( 10.275 3.554 -4.454) 11.749 5.076 ( 4.649 9.619 -3.324) 11.189 5.085 ( 3.131 2.596 2.889) 4.988 5.253 ( 5.585 7.657 6.333) 11.399 5.302 ( 12.172 -0.575 3.993) 12.823 5.356 ( 2.048 -5.851 2.660) 6.746 5.458 ( 7.882 2.027 -2.709) 8.578 5.485 ( 3.179 2.258 -2.481) 4.621 5.575 ( 3.070 1.023 8.517) 9.111 5.710 ( -3.967 -4.209 0.774) 5.835 5.810 ( -2.701 1.157 -8.075) 8.593 5.886 ( -1.991 -0.204 4.412) 4.845 5.970 ( -3.611 -2.905 2.732) 5.380 6.009 ( 3.152 -3.604 -1.924) 5.160 6.103 ( -6.405 -3.264 0.018) 7.189 6.240 ( -1.447 1.643 0.153) 2.195 6.376 ( -2.054 1.541 -0.698) 2.661 6.554 ( -14.168 -6.178 0.079) 15.456 6.589 ( -0.977 -5.926 -3.345) 6.875 6.728 ( -1.544 -2.901 -1.859) 3.775 6.843 ( 4.695 -5.655 -2.909) 7.905 7.107 ( -5.280 -1.803 0.577) 5.609 7.185 ( -6.786 -2.686 4.459) 8.553 7.444 ( 3.326 5.608 -3.214) 7.269 7.527 ( -3.095 -0.978 1.962) 3.793 7.627 ( 0.949 4.141 -1.033) 4.373 7.761 ( -3.468 14.496 8.116) 16.971 7.939 ( 0.140 3.995 4.413) 5.954 8.016 ( 6.723 -4.348 -9.909) 12.740 8.095 ( -0.259 -2.382 1.503) 2.829 8.264 ( -0.786 -1.686 5.707) 6.002 8.352 ( -0.972 0.540 -4.733) 4.862 8.391 ( 4.370 0.197 -1.126) 4.517 8.500 ( 3.654 5.173 5.885) 8.646 8.565 ( 1.300 1.584 7.745) 8.012 8.663 ( 4.884 4.220 -12.491) 14.060 8.807 ( 3.756 -0.374 -2.930) 4.778 8.937 ( 3.181 0.794 -9.390) 9.946 8.961 ( 3.011 0.556 3.102) 4.359 9.062 ( -5.146 2.797 -0.040) 5.858 9.232 ( 1.044 -4.988 -0.092) 5.097 9.240 ( -2.541 -0.705 2.188) 3.426 9.431 ( 0.115 -3.681 6.430) 7.410 9.493 ( 7.555 -3.129 2.260) 8.485 9.585 ( -4.729 -6.915 1.201) 8.463 9.797 ( -2.487 3.984 -0.595) 4.734 10.012 ( 2.847 0.091 3.239) 4.313 10.094 ( 5.070 1.045 -7.193) 8.862 10.207 ( -3.306 -7.970 -5.946) 10.479 10.481 ( -9.262 -3.138 3.555) 10.405 10.656 ( 2.970 -8.074 -2.554) 8.974 10.797 ( 0.805 1.942 -0.556) 2.174 11.012 ( 0.657 -7.387 -3.075) 8.028 11.188 ( 0.282 6.038 0.523) 6.067 11.407 ( -1.478 4.030 1.845) 4.672 11.436 ( -3.729 -2.077 3.598) 5.583 11.646 ( -0.294 -5.765 -5.891) 8.248 12.168 ( -2.423 13.637 5.109) 14.763 12.351 ( -5.801 8.560 3.418) 10.890 12.640 ( 4.874 1.669 -4.746) 7.004 12.782 ( 1.660 -9.566 2.835) 10.115 12.875 ( -1.130 -2.332 -1.887) 3.206 12.997 ( -3.830 -7.920 1.680) 8.956 13.095 ( 1.249 -1.290 -0.819) 1.973 13.197 ( -1.548 -4.229 2.065) 4.955 15.029 ( -3.238 9.113 -5.112) 10.939 15.280 ( 0.754 5.264 5.833) 7.893 15.626 ( -1.132 -14.111 -1.047) 14.195 15.741 ( 0.843 -11.586 3.525) 12.140 16.234 ( -4.217 1.726 -2.330) 5.118 16.305 ( -3.388 -1.311 -1.820) 4.064 17.115 ( -1.964 15.208 5.247) 16.207 17.221 ( -2.641 14.421 -5.057) 15.508 17.501 ( 5.544 -3.420 -0.037) 6.514 17.574 ( 3.645 -3.450 0.733) 5.072 18.107 ( -1.494 -4.906 -5.211) 7.312 18.206 ( 0.111 -8.010 5.088) 9.491 21.536 ( 3.467 1.325 -0.068) 3.712 21.538 ( 2.725 1.187 -0.786) 3.074 21.609 ( 0.059 1.843 0.356) 1.878 21.668 ( 1.215 -0.781 -0.340) 1.483 21.770 ( -0.549 3.172 -1.257) 3.456 21.809 ( 0.667 1.220 1.664) 2.169 22.104 ( -3.762 0.126 0.581) 3.809 22.132 ( -5.453 0.008 -0.602) 5.487 22.278 ( -1.261 -6.774 0.426) 6.904 22.301 ( -0.349 -7.927 -0.550) 7.954 23.321 ( 2.624 5.930 -1.469) 6.649 23.353 ( 3.470 4.513 1.430) 5.869 ======================= Grid point 85 (43/112) ======================= q-point: ( 0.44 0.33 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.981 13.594 8.333) 15.975 1.227 ( -0.506 11.434 10.800) 15.736 1.475 ( -2.434 7.933 13.391) 15.753 1.617 ( -11.879 0.742 6.984) 13.800 1.780 ( 1.468 -0.135 -2.059) 2.533 1.980 ( -3.748 -3.274 6.812) 8.436 2.150 ( 0.537 -19.794 6.945) 20.983 2.232 ( -0.837 -2.136 5.483) 5.943 2.467 ( 8.907 3.728 -6.732) 11.771 2.567 ( -7.435 -0.860 1.277) 7.593 2.627 ( -2.255 -5.329 -0.148) 5.788 2.639 ( 0.153 -3.857 1.102) 4.014 2.702 ( -6.681 -1.743 -2.871) 7.478 2.825 ( 0.875 -4.565 1.972) 5.049 2.918 ( 0.802 -1.875 5.186) 5.572 2.944 ( -1.380 -3.265 0.909) 3.660 3.092 ( 3.259 3.472 4.585) 6.610 3.258 ( -3.040 -1.147 3.786) 4.989 3.333 ( -0.349 5.893 0.968) 5.982 3.419 ( -2.096 3.349 3.627) 5.364 3.523 ( -0.882 -2.649 4.103) 4.963 3.621 ( 0.278 -5.852 -3.917) 7.047 3.780 ( 1.614 -4.557 -1.503) 5.063 3.901 ( -1.180 -7.907 -1.401) 8.116 4.417 ( 4.959 13.330 -12.862) 19.176 4.517 ( -3.031 21.327 -0.996) 21.564 4.670 ( -2.802 6.105 1.189) 6.822 4.745 ( 6.516 6.329 -1.902) 9.281 4.805 ( -2.415 3.451 -2.141) 4.725 4.852 ( 6.757 6.948 -6.204) 11.508 4.885 ( 7.845 13.745 -3.325) 16.172 4.975 ( 5.751 -1.204 -8.400) 10.251 5.044 ( -0.525 1.907 -7.086) 7.357 5.145 ( 0.612 16.338 1.138) 16.389 5.318 ( -0.924 1.124 -1.154) 1.857 5.345 ( 0.789 0.175 -3.999) 4.079 5.426 ( -0.404 -2.524 -4.855) 5.487 5.464 ( -1.097 -0.862 -4.179) 4.406 5.541 ( 1.853 1.344 -4.331) 4.899 5.656 ( -1.875 -0.091 2.526) 3.147 5.681 ( 4.946 8.219 7.957) 12.464 5.802 ( 4.023 -6.153 3.380) 8.091 5.859 ( 1.297 -1.528 -4.578) 4.998 5.968 ( -3.078 -4.650 0.557) 5.605 6.015 ( -7.352 -3.062 5.664) 9.773 6.124 ( 6.134 -7.178 5.243) 10.800 6.271 ( 3.906 1.697 0.804) 4.334 6.348 ( -4.991 -1.108 3.824) 6.384 6.373 ( -7.462 -1.371 0.639) 7.614 6.568 ( 0.770 -6.142 0.917) 6.258 6.728 ( 0.643 -1.156 2.477) 2.808 6.879 ( 5.794 -4.212 -1.993) 7.435 7.024 ( -5.124 -0.327 -1.468) 5.341 7.164 ( -6.537 -4.027 4.923) 9.120 7.435 ( 4.360 5.402 -8.517) 10.988 7.491 ( -0.890 1.228 -4.117) 4.387 7.602 ( -2.286 0.398 -0.521) 2.378 7.747 ( -1.949 8.574 -0.720) 8.823 7.865 ( -2.373 6.264 -12.204) 13.922 8.060 ( 0.625 -0.668 3.688) 3.800 8.084 ( 0.781 -1.129 -4.284) 4.498 8.222 ( -1.815 -1.265 -3.678) 4.292 8.292 ( 3.332 3.298 -3.810) 6.041 8.469 ( 1.451 1.883 -4.276) 4.893 8.478 ( 0.718 1.845 -3.899) 4.373 8.572 ( -1.193 2.371 -2.250) 3.480 8.730 ( 4.354 -3.962 2.574) 6.425 8.807 ( 2.122 4.765 0.609) 5.251 8.931 ( 5.193 -4.370 -1.608) 6.975 9.011 ( 0.505 0.928 0.549) 1.191 9.038 ( -1.678 -1.660 6.275) 6.704 9.224 ( -5.101 -4.965 6.639) 9.734 9.339 ( 6.176 4.856 2.335) 8.196 9.472 ( -6.796 -2.395 0.530) 7.225 9.493 ( -5.088 -3.584 4.442) 7.646 9.656 ( 6.089 -5.928 2.241) 8.788 9.786 ( 2.020 4.638 0.808) 5.123 10.062 ( -1.834 -0.748 -5.059) 5.433 10.087 ( 4.241 2.796 1.229) 5.226 10.173 ( 6.991 -9.173 -0.344) 11.539 10.410 ( -9.515 -1.134 5.646) 11.122 10.673 ( 3.696 -5.820 -0.884) 6.951 10.794 ( 0.650 -2.341 -1.080) 2.659 10.963 ( 0.083 -6.774 -4.570) 8.172 11.191 ( 1.207 6.089 -1.097) 6.303 11.357 ( -4.863 2.431 0.569) 5.467 11.480 ( -3.042 -1.314 5.165) 6.137 11.601 ( 4.214 -6.279 -4.251) 8.675 12.183 ( -3.341 13.491 3.505) 14.334 12.341 ( -4.791 9.039 5.355) 11.547 12.640 ( 5.388 1.679 -5.469) 7.858 12.810 ( 0.657 -5.220 0.346) 5.273 12.874 ( -1.005 -6.224 1.782) 6.552 12.987 ( -2.062 -8.514 3.424) 9.406 13.100 ( 0.491 -1.160 -0.493) 1.353 13.198 ( -2.094 -4.612 1.917) 5.416 14.999 ( 2.374 10.070 1.628) 10.473 15.327 ( -3.825 4.867 3.894) 7.313 15.614 ( 0.190 -14.077 0.047) 14.078 15.769 ( -2.464 -11.245 1.434) 11.601 16.182 ( 0.404 1.821 -0.729) 2.003 16.260 ( 0.146 -1.544 -1.092) 1.897 17.144 ( -4.690 15.779 4.629) 17.100 17.174 ( 2.455 13.990 -0.827) 14.228 17.545 ( 3.365 -4.426 -2.640) 6.155 17.582 ( -0.378 -5.338 -2.523) 5.917 18.072 ( 3.733 -1.271 -1.259) 4.140 18.239 ( -3.872 -8.378 2.666) 9.607 21.554 ( 1.631 1.500 -0.846) 2.372 21.569 ( 1.700 1.126 -1.975) 2.839 21.610 ( -0.218 1.371 0.195) 1.402 21.655 ( 0.151 -0.431 -2.606) 2.646 21.749 ( 0.265 3.868 -0.605) 3.924 21.837 ( -0.283 0.310 1.539) 1.595 22.084 ( -1.724 -0.222 1.628) 2.381 22.101 ( -1.530 0.196 4.086) 4.368 22.269 ( -0.753 -6.893 0.513) 6.953 22.306 ( 0.475 -7.851 1.058) 7.937 23.322 ( 1.761 6.440 -2.881) 7.271 23.376 ( 0.139 4.034 -1.890) 4.457 ======================= Grid point 86 (44/112) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 2.518 12.867 13.965) 19.155 1.333 ( -6.718 12.407 6.018) 15.339 1.583 ( 0.984 14.636 14.065) 20.323 1.758 ( 2.717 -1.020 13.995) 14.293 1.911 ( 8.865 1.201 9.998) 13.416 2.015 ( -0.881 -1.315 3.642) 3.971 2.259 ( -7.145 -4.711 4.439) 9.641 2.322 ( 6.125 -6.379 5.531) 10.431 2.488 ( 1.462 -2.684 -3.780) 4.861 2.505 ( -6.279 -3.346 4.931) 8.657 2.587 ( 5.646 -11.405 5.205) 13.750 2.648 ( 9.253 -3.309 -5.455) 11.239 2.770 ( 2.938 -2.768 11.811) 12.482 2.902 ( 5.249 -3.402 3.247) 7.048 2.966 ( -1.526 -0.297 5.982) 6.181 3.030 ( 1.164 -2.290 6.105) 6.624 3.216 ( 5.606 0.342 2.910) 6.325 3.222 ( -3.831 0.619 -0.400) 3.901 3.379 ( 2.624 5.418 2.215) 6.415 3.467 ( -0.631 0.812 5.516) 5.611 3.558 ( -1.636 -4.418 0.599) 4.749 3.598 ( 1.316 -4.567 1.692) 5.045 3.730 ( -1.278 -3.842 -4.763) 6.251 3.822 ( -5.496 -5.963 -3.560) 8.857 4.277 ( -13.694 21.094 -10.374) 27.204 4.354 ( 5.436 13.421 -10.333) 17.789 4.635 ( -2.958 5.180 -0.526) 5.988 4.687 ( -4.452 3.599 -6.363) 8.559 4.813 ( 4.281 5.115 -12.913) 14.534 4.829 ( -3.048 6.769 -3.855) 8.365 4.835 ( 0.925 4.902 0.032) 4.989 4.873 ( 3.319 4.686 -15.334) 16.374 4.986 ( 5.192 4.426 -3.097) 7.493 5.147 ( -0.213 14.558 -0.656) 14.574 5.208 ( -3.437 -4.723 -7.974) 9.884 5.250 ( -5.148 5.256 -5.630) 9.264 5.336 ( -4.825 0.880 -2.812) 5.654 5.390 ( -3.163 4.240 -4.093) 6.688 5.473 ( 1.727 -3.614 -2.305) 4.622 5.638 ( -5.697 0.699 3.256) 6.599 5.748 ( -6.764 -3.349 -1.123) 7.631 5.838 ( -1.953 -3.800 -1.405) 4.497 5.882 ( -3.713 0.806 9.724) 10.440 5.954 ( 3.645 -6.979 -1.221) 7.967 6.078 ( 1.386 -5.468 5.156) 7.642 6.181 ( -3.834 -7.739 2.791) 9.076 6.318 ( 4.862 4.019 0.227) 6.312 6.425 ( 8.310 4.422 4.580) 10.468 6.467 ( 2.313 2.242 11.479) 11.923 6.621 ( 3.520 -5.978 0.818) 6.986 6.802 ( 3.047 -0.346 4.376) 5.344 6.941 ( 0.509 -2.968 0.322) 3.029 6.959 ( 4.204 2.225 -2.536) 5.390 7.126 ( -4.437 -5.522 0.515) 7.102 7.292 ( 0.946 2.136 -16.178) 16.345 7.367 ( 0.050 1.544 -13.033) 13.124 7.572 ( -1.534 -1.312 -0.833) 2.184 7.639 ( -4.838 9.069 -8.430) 13.294 7.753 ( -0.941 5.033 1.013) 5.220 8.010 ( -5.101 -2.099 -2.794) 6.183 8.025 ( 1.397 3.757 -3.937) 5.618 8.185 ( -0.959 -1.439 -7.399) 7.598 8.304 ( 2.517 2.642 -0.231) 3.656 8.330 ( 2.318 7.111 -6.578) 9.960 8.477 ( -4.425 -0.578 -1.623) 4.749 8.598 ( -0.526 -0.425 6.438) 6.474 8.689 ( -2.097 -3.138 -5.346) 6.544 8.841 ( 3.156 9.445 -1.904) 10.139 9.034 ( 7.608 -8.752 -0.523) 11.608 9.056 ( 4.531 -2.942 -1.830) 5.704 9.134 ( -0.512 0.721 9.553) 9.594 9.235 ( -6.114 -2.615 4.765) 8.181 9.370 ( -5.103 2.573 7.101) 9.115 9.442 ( -3.459 -3.132 3.139) 5.624 9.503 ( 2.536 -4.557 0.679) 5.259 9.659 ( -12.849 -1.455 4.138) 13.577 9.888 ( 7.974 2.497 1.375) 8.468 9.952 ( -3.645 -0.394 -1.961) 4.158 10.170 ( 6.613 -2.311 -1.882) 7.254 10.291 ( 7.476 -8.905 1.675) 11.747 10.402 ( -2.610 3.464 6.176) 7.547 10.734 ( 1.018 -6.997 2.011) 7.351 10.781 ( 1.736 -1.428 -1.537) 2.723 10.925 ( 6.123 -7.529 -5.996) 11.407 11.189 ( -1.005 5.473 0.099) 5.566 11.295 ( -2.521 1.569 -1.913) 3.532 11.496 ( -2.337 -0.266 3.785) 4.456 11.638 ( 6.242 -5.338 -1.707) 8.389 12.177 ( -4.384 12.302 3.126) 13.429 12.362 ( -3.195 7.550 6.113) 10.226 12.633 ( 4.115 2.469 -5.528) 7.320 12.827 ( 1.814 -4.279 -0.625) 4.689 12.869 ( -3.752 -4.805 2.446) 6.568 13.014 ( -1.869 -8.658 3.465) 9.511 13.099 ( 0.070 -0.749 0.396) 0.850 13.214 ( 0.960 -4.435 2.324) 5.098 15.136 ( 8.089 8.511 7.711) 14.048 15.272 ( -8.174 7.661 0.201) 11.205 15.646 ( 2.698 -14.735 2.160) 15.135 15.719 ( -4.394 -12.516 -0.863) 13.293 16.217 ( 3.769 1.380 0.520) 4.047 16.276 ( 3.206 -1.175 -0.511) 3.453 17.107 ( -6.430 14.774 2.059) 16.243 17.266 ( 7.859 13.082 2.337) 15.438 17.503 ( -3.877 1.464 -4.759) 6.311 17.522 ( 0.105 -0.845 -3.572) 3.672 18.137 ( -4.498 -9.097 0.597) 10.166 18.207 ( 4.723 -9.780 2.545) 11.155 21.540 ( 0.489 1.440 -2.931) 3.302 21.559 ( 1.004 0.847 -2.479) 2.806 21.588 ( -2.479 1.506 -0.196) 2.907 21.615 ( -1.432 0.113 -1.043) 1.775 21.773 ( 1.789 2.672 0.929) 3.348 21.828 ( -1.990 0.843 -0.530) 2.225 22.125 ( 2.341 -2.199 3.049) 4.428 22.157 ( 0.980 -2.341 3.476) 4.303 22.282 ( -0.254 -3.755 3.219) 4.952 22.343 ( 0.678 -5.643 3.337) 6.591 23.293 ( 1.050 5.661 -4.089) 7.062 23.307 ( -2.961 4.916 -5.084) 7.667 ======================= Grid point 87 (45/112) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -0.441 15.129 5.246) 16.019 1.414 ( -7.295 10.573 8.270) 15.277 1.614 ( -7.828 15.573 -2.893) 17.668 1.964 ( 0.643 2.257 10.150) 10.417 2.111 ( 8.197 0.231 7.558) 11.152 2.182 ( 7.076 -3.574 10.580) 13.220 2.341 ( -0.030 1.061 10.453) 10.506 2.430 ( 3.998 0.449 -1.775) 4.397 2.539 ( 8.030 -7.812 5.722) 12.580 2.574 ( 8.407 -3.214 5.596) 10.598 2.681 ( 10.722 -3.935 -7.106) 13.452 2.800 ( 2.476 -9.258 7.334) 12.068 2.954 ( -2.246 2.451 6.023) 6.880 3.026 ( 2.242 -0.400 2.553) 3.422 3.063 ( 7.370 -1.874 6.710) 10.141 3.141 ( -2.611 -5.339 10.961) 12.469 3.157 ( 2.735 4.515 -2.263) 5.744 3.336 ( 2.907 1.257 4.447) 5.460 3.437 ( 5.036 1.550 -5.249) 7.438 3.464 ( -7.828 -0.353 -0.015) 7.836 3.536 ( 1.982 -6.189 0.982) 6.573 3.624 ( 2.786 -3.162 -3.441) 5.441 3.709 ( -3.260 -0.899 0.475) 3.415 3.768 ( 0.440 -1.749 12.484) 12.614 3.925 ( -11.775 12.765 -6.074) 18.398 4.356 ( 5.032 11.139 -4.250) 12.940 4.444 ( -6.141 1.922 -12.839) 14.361 4.569 ( -4.222 3.856 -10.585) 12.030 4.625 ( -0.899 4.310 -16.215) 16.802 4.696 ( -1.789 4.568 -6.174) 7.886 4.750 ( 2.297 -2.300 -1.959) 3.795 4.886 ( -1.170 2.886 2.311) 3.878 5.006 ( -1.852 3.327 -2.578) 4.598 5.052 ( -2.159 2.418 -4.474) 5.525 5.087 ( -1.706 3.555 -6.516) 7.616 5.160 ( -4.429 7.596 -0.932) 8.842 5.212 ( -5.532 5.525 -1.126) 7.899 5.296 ( -2.809 6.436 -0.382) 7.033 5.470 ( -2.311 0.556 -3.103) 3.908 5.567 ( -9.732 1.263 3.749) 10.505 5.638 ( -5.612 1.284 -0.468) 5.776 5.795 ( -4.721 -3.367 1.671) 6.034 5.956 ( 1.604 -8.681 2.398) 9.148 5.982 ( -1.356 -2.059 3.510) 4.290 6.060 ( -2.811 -7.232 -3.736) 8.612 6.198 ( -2.416 -6.661 4.863) 8.594 6.398 ( 7.725 6.315 -2.163) 10.210 6.609 ( 6.371 0.712 5.300) 8.317 6.630 ( 2.861 3.289 1.296) 4.548 6.671 ( 3.291 -0.441 4.118) 5.290 6.863 ( -0.454 -0.938 -7.475) 7.548 6.880 ( 2.485 -1.333 -2.201) 3.577 7.035 ( 1.638 -4.017 -5.929) 7.347 7.068 ( 1.368 -0.431 -15.161) 15.228 7.115 ( 4.615 -1.038 7.663) 9.005 7.272 ( 3.582 -0.459 -1.473) 3.900 7.485 ( -2.078 7.415 -3.626) 8.511 7.566 ( -6.119 5.172 2.452) 8.379 7.721 ( -2.226 -1.226 -1.690) 3.052 7.877 ( -6.050 -0.764 -5.775) 8.398 8.012 ( -0.131 7.839 -4.374) 8.978 8.082 ( 1.092 5.044 -2.018) 5.542 8.227 ( 0.404 6.800 -8.020) 10.522 8.334 ( -12.694 -5.419 -0.122) 13.803 8.414 ( 5.860 2.211 3.153) 7.012 8.595 ( -3.362 -4.570 -1.759) 5.940 8.667 ( 0.276 2.917 1.772) 3.424 8.859 ( 1.655 11.360 -0.909) 11.516 9.038 ( -0.008 -4.612 -4.211) 6.245 9.055 ( -3.729 -4.418 -2.652) 6.361 9.204 ( 1.570 -3.476 1.524) 4.107 9.231 ( -2.494 -2.843 3.353) 5.055 9.445 ( -6.792 0.730 2.501) 7.274 9.466 ( 0.987 -4.382 0.776) 4.559 9.499 ( -0.173 2.715 9.765) 10.136 9.566 ( -3.750 -5.222 2.599) 6.934 9.894 ( 0.137 -5.417 -1.877) 5.735 10.009 ( -1.482 1.225 7.092) 7.348 10.212 ( 6.456 -5.572 -4.498) 9.641 10.399 ( 5.304 -6.809 1.014) 8.690 10.487 ( 4.364 4.279 2.360) 6.551 10.684 ( -4.538 -4.912 -0.801) 6.735 10.863 ( 7.243 -1.925 0.669) 7.525 10.968 ( 8.268 -6.595 -3.240) 11.061 11.158 ( -4.045 3.108 0.822) 5.167 11.239 ( -2.130 0.029 -1.730) 2.744 11.541 ( 3.146 1.959 2.120) 4.269 11.709 ( 6.550 -3.771 -1.104) 7.639 12.148 ( -6.067 10.577 3.402) 12.659 12.417 ( -1.204 3.312 5.906) 6.877 12.605 ( 2.548 4.539 -4.672) 6.995 12.820 ( -4.458 -3.617 1.996) 6.078 12.855 ( 1.093 -2.798 -1.164) 3.222 13.020 ( -1.909 -6.643 1.579) 7.090 13.128 ( 1.327 -0.270 2.411) 2.765 13.283 ( 3.504 -4.551 2.676) 6.336 15.133 ( -8.697 9.533 -2.369) 13.120 15.417 ( 12.991 5.620 11.854) 18.462 15.639 ( -3.796 -14.322 -1.377) 14.880 15.755 ( 5.404 -11.466 5.112) 13.668 16.271 ( 4.235 0.910 -1.335) 4.533 16.313 ( 4.197 -0.817 -2.249) 4.831 17.036 ( -5.808 13.060 0.294) 14.297 17.324 ( -6.498 3.272 -4.604) 8.610 17.363 ( -2.089 4.410 -5.211) 7.139 17.567 ( 10.192 14.501 5.088) 18.441 17.957 ( -14.716 -11.036 -3.737) 18.770 18.419 ( 12.209 -16.700 6.308) 21.628 21.503 ( -0.518 0.922 -2.667) 2.869 21.516 ( -0.915 0.539 -2.651) 2.855 21.556 ( -1.465 2.443 -0.021) 2.848 21.608 ( -0.771 0.255 1.441) 1.654 21.775 ( -2.506 1.502 -1.604) 3.333 21.800 ( -0.109 0.434 0.533) 0.696 22.197 ( 2.232 -4.502 -0.467) 5.047 22.205 ( 3.893 -4.145 1.827) 5.973 22.354 ( 0.073 0.318 6.372) 6.380 22.411 ( 0.653 -2.689 4.785) 5.527 23.170 ( -4.974 6.710 -6.388) 10.515 23.249 ( 0.660 3.339 -3.864) 5.149 ======================= Grid point 88 (46/112) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( -7.769 17.829 0.376) 19.452 1.421 ( -3.179 22.718 4.228) 23.326 1.543 ( 1.160 11.829 3.804) 12.480 2.143 ( 7.499 -4.340 5.320) 10.167 2.233 ( 4.290 -0.902 -2.153) 4.884 2.358 ( 4.802 0.121 1.993) 5.201 2.451 ( 5.445 -0.423 3.718) 6.607 2.493 ( 1.437 -0.840 2.865) 3.313 2.625 ( 5.925 1.215 -10.111) 11.782 2.730 ( 2.019 1.904 2.272) 3.586 2.777 ( 2.311 -4.198 1.398) 4.992 2.879 ( 7.700 -2.020 -2.462) 8.332 2.931 ( -1.610 0.301 2.932) 3.359 3.080 ( 4.326 -2.178 -2.825) 5.607 3.118 ( -0.112 3.808 1.242) 4.007 3.188 ( -4.941 2.327 1.502) 5.665 3.301 ( 3.074 0.682 1.049) 3.318 3.346 ( -1.013 3.595 8.828) 9.586 3.381 ( -0.914 -0.858 -2.612) 2.897 3.485 ( 5.734 -1.250 6.036) 8.419 3.555 ( -3.649 1.106 1.512) 4.102 3.661 ( 6.517 -2.357 -3.570) 7.795 3.731 ( 6.321 -2.270 2.539) 7.180 3.908 ( 2.081 -3.264 7.317) 8.278 4.041 ( 3.974 -4.634 17.965) 18.973 4.183 ( -8.168 -3.449 -6.667) 11.094 4.281 ( 1.248 1.534 -15.912) 16.035 4.333 ( -4.258 -1.180 -11.247) 12.084 4.514 ( -3.693 9.950 1.179) 10.679 4.608 ( 1.418 6.693 -2.345) 7.232 4.752 ( -3.124 -3.841 -3.969) 6.346 4.817 ( -7.979 1.715 -1.082) 8.233 4.911 ( -4.815 1.661 -0.549) 5.123 4.977 ( -1.822 2.735 -0.877) 3.401 5.038 ( -1.206 2.566 -3.904) 4.825 5.091 ( -0.762 8.720 4.274) 9.741 5.187 ( -4.519 10.436 4.380) 12.187 5.322 ( 0.662 9.243 3.139) 9.784 5.350 ( -4.326 4.773 -3.845) 7.502 5.458 ( -9.623 3.340 -1.030) 10.238 5.587 ( -1.444 1.202 0.130) 1.884 5.707 ( -7.014 1.323 -1.814) 7.365 5.956 ( 0.763 -8.409 -5.047) 9.837 5.968 ( -0.612 -7.707 -1.207) 7.825 6.057 ( -0.730 -11.040 4.515) 11.950 6.221 ( -1.156 -10.605 2.333) 10.920 6.474 ( 8.162 6.303 -2.869) 10.704 6.624 ( -0.154 5.912 -0.703) 5.955 6.645 ( -0.775 -0.716 -2.462) 2.679 6.771 ( 4.661 -2.511 -7.916) 9.524 6.809 ( 3.268 0.779 4.520) 5.632 6.836 ( -0.007 -1.608 -4.956) 5.211 6.978 ( 1.383 -2.897 -1.195) 3.426 7.024 ( 3.451 -3.171 0.950) 4.782 7.275 ( -6.830 1.853 5.687) 9.079 7.331 ( 1.130 0.330 5.650) 5.771 7.434 ( -2.442 5.425 -1.048) 6.041 7.505 ( -2.935 4.953 1.303) 5.902 7.686 ( -1.212 -3.024 1.796) 3.720 7.710 ( -2.862 -1.690 -7.727) 8.411 7.957 ( 0.320 9.317 -1.830) 9.501 8.039 ( -7.698 4.973 -0.378) 9.172 8.122 ( 3.475 3.785 -7.596) 9.170 8.259 ( -1.681 4.744 3.034) 5.877 8.530 ( -2.436 -2.398 -1.954) 3.938 8.545 ( 6.264 6.241 2.424) 9.169 8.651 ( -3.477 0.745 -0.234) 3.564 8.785 ( -12.842 4.847 -0.508) 13.736 8.942 ( -2.536 -2.835 -2.043) 4.317 9.009 ( 1.741 -2.864 -2.299) 4.064 9.219 ( 0.043 -5.157 -1.368) 5.336 9.228 ( -2.417 -0.593 0.088) 2.490 9.386 ( -1.425 2.546 2.002) 3.538 9.492 ( 1.117 -7.038 -2.428) 7.528 9.581 ( 2.971 -6.891 1.855) 7.731 9.645 ( 1.091 0.028 7.017) 7.101 9.884 ( -0.554 -5.455 0.224) 5.488 10.033 ( -7.663 -3.910 5.705) 10.323 10.243 ( 8.071 -2.604 -5.215) 9.956 10.451 ( 4.025 -4.661 -3.158) 6.921 10.534 ( 3.822 3.788 -3.622) 6.486 10.648 ( -1.679 -3.912 2.213) 4.798 10.972 ( 6.542 -2.197 0.557) 6.924 11.025 ( 4.118 -3.032 -2.448) 5.670 11.124 ( -1.981 0.056 1.512) 2.493 11.191 ( -3.050 -2.114 0.068) 3.712 11.625 ( 5.901 2.756 0.487) 6.531 11.776 ( 5.903 -2.078 -1.826) 6.519 12.108 ( -6.777 8.510 3.781) 11.517 12.466 ( -1.677 -4.444 3.633) 5.980 12.592 ( 2.951 6.601 -3.157) 7.890 12.803 ( -5.330 0.932 6.754) 8.655 12.857 ( 3.010 -3.418 -2.712) 5.301 13.006 ( -2.056 -5.297 0.164) 5.685 13.186 ( 2.295 1.199 1.730) 3.114 13.363 ( 3.783 -4.583 1.236) 6.070 14.995 ( -6.141 11.237 -2.381) 13.025 15.577 ( -2.670 -16.360 -0.742) 16.593 15.798 ( 17.170 3.477 12.761) 21.674 15.940 ( 8.386 -4.658 8.133) 12.576 16.278 ( 3.843 0.789 -6.672) 7.740 16.316 ( 5.065 -0.813 -6.907) 8.604 16.966 ( -4.237 11.394 -0.153) 12.157 17.094 ( -15.852 10.342 -2.838) 19.139 17.282 ( -2.646 -3.976 -2.103) 5.218 17.655 ( -20.161 -7.665 -3.542) 21.858 17.838 ( 15.641 12.930 3.994) 20.683 18.657 ( 11.264 -19.082 3.661) 22.458 21.458 ( -1.313 1.288 -1.525) 2.390 21.481 ( -1.259 0.373 -0.591) 1.440 21.548 ( -0.266 2.758 0.308) 2.788 21.613 ( -1.361 0.928 0.972) 1.913 21.726 ( -1.076 0.301 -1.225) 1.658 21.795 ( -1.327 -1.500 0.357) 2.034 22.224 ( 3.436 -2.012 -0.798) 4.061 22.279 ( 4.400 -3.892 0.858) 5.936 22.418 ( -0.416 1.071 2.435) 2.692 22.466 ( -0.048 -1.180 1.733) 2.097 23.024 ( -5.659 8.274 -3.389) 10.582 23.215 ( -0.464 -0.449 -1.186) 1.350 ======================= Grid point 89 (47/112) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( -1.577 24.832 3.514) 25.129 1.382 ( -5.630 27.726 0.939) 28.307 1.654 ( 3.284 8.349 3.392) 9.591 2.138 ( 7.664 3.286 -12.724) 15.213 2.318 ( -0.357 -3.256 -1.539) 3.619 2.403 ( 4.297 8.691 0.752) 9.724 2.468 ( 3.388 -4.590 -7.917) 9.758 2.572 ( 5.730 0.401 -4.078) 7.045 2.620 ( 3.800 -3.949 5.374) 7.676 2.677 ( -7.581 8.373 1.293) 11.369 2.750 ( 1.789 -3.303 -4.409) 5.792 2.934 ( -2.840 0.560 -1.901) 3.463 2.986 ( 8.965 -1.806 -1.473) 9.263 3.055 ( 3.346 -1.292 -6.051) 7.034 3.157 ( -0.135 -3.055 -2.152) 3.739 3.178 ( 4.858 -1.384 -2.200) 5.509 3.292 ( 1.540 3.109 0.215) 3.476 3.343 ( -0.968 -1.309 -0.192) 1.640 3.462 ( -5.441 -2.522 0.717) 6.039 3.506 ( 2.009 5.638 1.354) 6.136 3.629 ( 2.777 -1.002 0.754) 3.047 3.775 ( 11.844 -0.020 3.975) 12.493 3.857 ( 4.413 -4.379 -1.886) 6.497 3.958 ( -1.360 3.265 -4.031) 5.363 4.024 ( -6.302 -9.584 4.278) 12.243 4.128 ( -2.897 -5.906 -6.040) 8.931 4.229 ( 3.959 -2.852 -1.087) 4.999 4.286 ( -2.829 -5.822 11.936) 13.578 4.436 ( -9.456 5.348 2.919) 11.249 4.597 ( -8.261 0.043 2.728) 8.699 4.668 ( -5.240 5.319 2.113) 7.760 4.722 ( 3.075 11.021 -0.102) 11.442 4.893 ( 2.743 0.723 -1.753) 3.335 4.924 ( -1.079 0.981 -3.007) 3.342 5.032 ( -1.733 9.975 2.306) 10.384 5.121 ( -3.819 10.399 3.797) 11.711 5.162 ( -4.874 6.735 -1.491) 8.446 5.237 ( -5.303 9.859 2.128) 11.395 5.361 ( -0.275 2.244 -1.508) 2.718 5.398 ( 2.127 3.389 1.721) 4.356 5.576 ( -1.781 5.011 -0.988) 5.409 5.648 ( 0.858 -2.455 3.289) 4.193 5.915 ( -0.128 -4.903 0.412) 4.922 5.935 ( 0.134 -11.030 -2.899) 11.405 6.107 ( 2.562 -12.163 1.204) 12.489 6.221 ( -2.576 -14.158 1.443) 14.463 6.530 ( 5.644 4.880 -3.126) 8.089 6.579 ( -0.580 2.811 -2.617) 3.885 6.677 ( -2.104 -1.529 4.013) 4.783 6.743 ( 3.037 -0.212 -5.793) 6.545 6.784 ( -2.331 2.011 5.215) 6.056 6.890 ( 0.443 -1.175 -0.400) 1.317 7.009 ( 1.435 -1.018 2.138) 2.769 7.080 ( -0.198 -2.130 2.522) 3.307 7.204 ( -4.306 0.295 6.439) 7.752 7.278 ( -11.054 -1.836 3.463) 11.728 7.405 ( -5.162 3.273 2.868) 6.752 7.570 ( -0.826 -2.534 -3.327) 4.263 7.637 ( 6.838 1.137 4.316) 8.165 7.756 ( -0.158 -0.232 5.355) 5.362 7.914 ( -4.893 7.404 1.633) 9.024 8.029 ( 8.089 3.810 -0.219) 8.944 8.144 ( 7.053 7.410 -1.443) 10.331 8.257 ( -2.013 11.139 -0.838) 11.351 8.461 ( -4.847 3.495 -2.580) 6.508 8.535 ( -4.383 5.494 -1.235) 7.136 8.596 ( -8.684 -2.326 -2.313) 9.282 8.685 ( 1.626 1.892 2.917) 3.838 8.878 ( -2.092 -6.663 -2.556) 7.437 9.026 ( 2.904 2.023 -0.593) 3.588 9.180 ( -3.276 0.176 0.527) 3.323 9.202 ( 0.689 -3.837 -1.528) 4.187 9.410 ( 0.290 2.810 0.852) 2.950 9.504 ( 4.458 -8.459 -0.930) 9.606 9.625 ( 1.183 -7.963 -0.320) 8.057 9.716 ( -1.286 -1.371 3.473) 3.949 9.866 ( -1.106 -4.502 -1.382) 4.837 9.976 ( -7.415 -5.453 2.414) 9.516 10.291 ( 7.543 -0.378 -3.670) 8.397 10.433 ( 3.367 0.646 -5.892) 6.817 10.536 ( 5.614 2.591 -5.289) 8.137 10.665 ( -2.418 -6.882 3.449) 8.068 10.995 ( -0.569 0.427 -1.904) 2.033 11.048 ( 4.260 -2.343 -2.699) 5.561 11.133 ( -3.941 -2.862 3.017) 5.729 11.174 ( 2.005 -2.194 -0.245) 2.982 11.695 ( 4.224 2.366 -1.035) 4.951 11.822 ( 5.434 -0.534 -2.726) 6.102 12.066 ( -6.834 6.947 3.890) 10.492 12.475 ( -2.988 -9.474 2.961) 10.366 12.590 ( 2.871 7.942 -2.271) 8.745 12.836 ( -6.422 0.531 5.839) 8.696 12.875 ( 4.990 -3.167 -1.826) 6.186 12.971 ( -1.812 -4.730 -0.250) 5.071 13.220 ( 1.207 2.491 -0.745) 2.867 13.408 ( 2.336 -4.744 -1.284) 5.442 14.916 ( -2.176 12.389 -0.447) 12.586 15.546 ( -1.029 -17.300 -0.031) 17.331 16.130 ( 0.615 1.007 0.990) 1.540 16.164 ( -1.582 0.470 -11.372) 11.491 16.202 ( 20.507 2.907 4.345) 21.163 16.301 ( 13.970 -1.337 -7.295) 15.816 16.870 ( -16.406 9.916 7.194) 20.475 16.935 ( -3.512 11.197 1.918) 11.891 17.256 ( -2.132 -5.183 2.771) 6.252 17.375 ( -18.609 -8.709 6.747) 21.625 18.029 ( 11.351 12.925 -6.171) 18.275 18.788 ( 6.106 -19.238 -2.822) 20.380 21.434 ( -0.928 1.544 0.256) 1.819 21.463 ( -0.819 0.370 -0.072) 0.902 21.552 ( -0.086 2.717 0.480) 2.760 21.601 ( -1.313 2.525 0.468) 2.884 21.715 ( 0.215 -1.804 -0.161) 1.824 21.783 ( -1.200 -2.450 0.690) 2.814 22.273 ( 3.839 1.084 0.399) 4.009 22.348 ( 3.892 -2.185 0.596) 4.502 22.401 ( -0.651 0.762 -3.374) 3.519 22.446 ( -0.354 -1.046 -3.564) 3.731 22.951 ( -4.178 8.585 3.098) 10.037 23.206 ( -1.810 -3.457 2.075) 4.419 ======================= Grid point 90 (48/112) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( -5.601 -9.387 2.613) 11.239 1.695 ( -5.601 9.387 2.613) 11.239 1.798 ( -2.212 -17.089 -7.130) 18.649 1.798 ( -2.212 17.089 -7.130) 18.649 2.252 ( 6.958 -8.552 -7.916) 13.573 2.252 ( 6.958 8.552 -7.916) 13.573 2.503 ( 3.884 -4.143 -4.933) 7.523 2.503 ( 3.884 4.143 -4.933) 7.523 2.692 ( 6.288 -4.640 -4.501) 9.018 2.692 ( 6.288 4.640 -4.501) 9.018 2.876 ( -0.593 -6.509 -6.302) 9.079 2.876 ( -0.593 6.509 -6.302) 9.079 2.967 ( -5.108 -5.648 -6.221) 9.833 2.967 ( -5.108 5.648 -6.221) 9.833 3.193 ( -0.211 -3.148 1.992) 3.731 3.193 ( -0.211 3.148 1.992) 3.731 3.303 ( -1.109 -0.901 -4.741) 4.951 3.303 ( -1.109 0.901 -4.741) 4.951 3.544 ( -5.389 -8.190 3.062) 10.271 3.544 ( -5.389 8.190 3.062) 10.271 3.666 ( 3.308 -4.210 1.335) 5.518 3.666 ( 3.308 4.210 1.335) 5.518 3.828 ( -1.771 -5.972 2.036) 6.553 3.828 ( -1.771 5.972 2.036) 6.553 4.008 ( -8.519 -3.336 2.109) 9.389 4.008 ( -8.519 3.336 2.109) 9.389 4.262 ( 10.568 -3.000 1.345) 11.067 4.262 ( 10.568 3.000 1.345) 11.067 4.542 ( -1.349 -5.805 7.132) 9.294 4.542 ( -1.349 5.805 7.132) 9.294 4.766 ( 0.756 -4.901 -0.739) 5.013 4.766 ( 0.756 4.901 -0.739) 5.013 4.922 ( -1.114 -1.671 -1.013) 2.249 4.922 ( -1.114 1.671 -1.013) 2.249 5.174 ( -0.169 -1.506 1.509) 2.139 5.174 ( -0.169 1.506 1.509) 2.139 5.344 ( -0.114 -4.132 3.342) 5.316 5.344 ( -0.114 4.132 3.342) 5.316 5.476 ( 1.885 -9.226 0.787) 9.449 5.476 ( 1.885 9.226 0.787) 9.449 5.596 ( -0.298 -6.527 -3.499) 7.412 5.596 ( -0.298 6.527 -3.499) 7.412 5.832 ( -2.661 -12.223 6.213) 13.967 5.832 ( -2.661 12.223 6.213) 13.967 6.041 ( 0.925 -2.305 4.326) 4.989 6.041 ( 0.925 2.305 4.326) 4.989 6.574 ( 0.708 -4.080 -3.230) 5.251 6.574 ( 0.708 4.080 -3.230) 5.251 6.671 ( 1.098 -3.888 -3.136) 5.115 6.671 ( 1.098 3.888 -3.136) 5.115 6.805 ( -0.900 -3.207 -4.242) 5.394 6.805 ( -0.900 3.207 -4.242) 5.394 7.163 ( 0.584 -1.302 12.304) 12.386 7.163 ( 0.584 1.302 12.304) 12.386 7.272 ( 1.776 -0.787 6.226) 6.522 7.272 ( 1.776 0.787 6.226) 6.522 7.453 ( -2.901 -4.359 5.376) 7.505 7.453 ( -2.901 4.359 5.376) 7.505 7.774 ( -4.685 -0.805 5.420) 7.209 7.774 ( -4.685 0.805 5.420) 7.209 8.087 ( 5.586 -6.181 -0.168) 8.333 8.087 ( 5.586 6.181 -0.168) 8.333 8.348 ( -5.361 -3.209 -0.496) 6.267 8.348 ( -5.361 3.209 -0.496) 6.267 8.431 ( 4.386 -3.159 0.878) 5.476 8.431 ( 4.386 3.159 0.878) 5.476 8.602 ( -0.367 -10.089 -0.148) 10.097 8.602 ( -0.367 10.089 -0.148) 10.097 8.967 ( 1.945 -11.548 0.274) 11.714 8.967 ( 1.945 11.548 0.274) 11.714 9.233 ( 2.925 -1.826 -2.254) 4.119 9.233 ( 2.925 1.826 -2.254) 4.119 9.454 ( -0.377 -0.994 -0.408) 1.138 9.454 ( -0.377 0.994 -0.408) 1.138 9.515 ( -4.991 -5.771 -2.998) 8.198 9.515 ( -4.991 5.771 -2.998) 8.198 9.842 ( 0.028 -2.888 0.800) 2.997 9.842 ( 0.028 2.888 0.800) 2.997 10.371 ( 2.504 -2.717 -1.935) 4.171 10.371 ( 2.504 2.717 -1.935) 4.171 10.561 ( 0.661 -1.197 -3.097) 3.385 10.561 ( 0.661 1.197 -3.097) 3.385 10.983 ( 0.236 -1.791 -4.376) 4.734 10.983 ( 0.236 1.791 -4.376) 4.734 11.150 ( -0.174 -3.465 3.444) 4.889 11.150 ( -0.174 3.465 3.444) 4.889 11.781 ( 1.603 -4.499 -2.615) 5.445 11.781 ( 1.603 4.499 -2.615) 5.445 12.248 ( -2.374 -11.685 3.214) 12.350 12.248 ( -2.374 11.685 3.214) 12.350 12.773 ( 0.951 -5.938 -2.456) 6.496 12.773 ( 0.951 5.938 -2.456) 6.496 12.867 ( -1.591 -3.720 2.188) 4.600 12.867 ( -1.591 3.720 2.188) 4.600 13.279 ( -0.310 -5.299 -3.997) 6.644 13.279 ( -0.310 5.299 -3.997) 6.644 15.210 ( 1.067 -15.266 1.351) 15.363 15.210 ( 1.067 15.266 1.351) 15.363 15.937 ( -5.780 -2.113 -15.541) 16.715 15.937 ( -5.780 2.113 -15.541) 16.715 16.432 ( 5.879 -0.314 -0.881) 5.953 16.432 ( 5.879 0.314 -0.881) 5.953 17.129 ( -1.097 -7.520 4.464) 8.814 17.129 ( -1.097 7.520 4.464) 8.814 17.187 ( -0.064 -14.089 15.950) 21.282 17.187 ( -0.064 14.089 15.950) 21.282 18.325 ( -0.366 -20.150 -10.541) 22.743 18.325 ( -0.366 20.150 -10.541) 22.743 21.459 ( 0.306 -0.429 0.559) 0.768 21.459 ( 0.306 0.429 0.559) 0.768 21.606 ( -0.218 -1.687 0.271) 1.723 21.606 ( -0.218 1.687 0.271) 1.723 21.733 ( -0.079 -2.370 1.790) 2.971 21.733 ( -0.079 2.370 1.790) 2.971 22.321 ( -1.614 -1.084 -3.902) 4.360 22.321 ( -1.614 1.084 -3.902) 4.360 22.379 ( 2.015 -0.938 -1.857) 2.896 22.379 ( 2.015 0.938 -1.857) 2.896 23.136 ( -0.017 -5.696 5.117) 7.657 23.136 ( -0.017 5.696 5.117) 7.657 ======================= Grid point 92 (49/112) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -10.750 -3.088 1.578) 11.296 1.615 ( -10.750 3.088 1.578) 11.296 1.728 ( 2.547 -8.843 -0.813) 9.239 1.728 ( 2.547 8.843 -0.813) 9.239 2.194 ( -3.639 -8.390 -5.114) 10.478 2.194 ( -3.639 8.390 -5.114) 10.478 2.462 ( -0.371 -2.351 -5.886) 6.349 2.462 ( -0.371 2.351 -5.886) 6.349 2.597 ( -2.895 -13.570 -14.386) 19.987 2.597 ( -2.895 13.570 -14.386) 19.987 2.764 ( -3.807 -6.154 -5.603) 9.151 2.764 ( -3.807 6.154 -5.603) 9.151 2.900 ( 2.994 -4.822 1.404) 5.846 2.900 ( 2.994 4.822 1.404) 5.846 3.123 ( -2.993 -1.056 -7.019) 7.703 3.123 ( -2.993 1.056 -7.019) 7.703 3.236 ( -1.912 -2.115 -4.157) 5.041 3.236 ( -1.912 2.115 -4.157) 5.041 3.456 ( -6.687 -3.453 -0.463) 7.540 3.456 ( -6.687 3.453 -0.463) 7.540 3.646 ( -2.730 -4.876 -3.358) 6.520 3.646 ( -2.730 4.876 -3.358) 6.520 3.822 ( -8.947 -0.421 3.754) 9.712 3.822 ( -8.947 0.421 3.754) 9.712 4.106 ( 9.426 -16.697 15.762) 24.821 4.106 ( 9.426 16.697 15.762) 24.821 4.473 ( 12.064 -4.418 -0.341) 12.852 4.473 ( 12.064 4.418 -0.341) 12.852 4.658 ( 9.528 -2.296 4.509) 10.788 4.658 ( 9.528 2.296 4.509) 10.788 4.786 ( -0.148 -1.294 3.908) 4.120 4.786 ( -0.148 1.294 3.908) 4.120 4.907 ( 1.159 -2.703 -0.002) 2.940 4.907 ( 1.159 2.703 -0.002) 2.940 5.186 ( 2.897 -2.096 -4.445) 5.705 5.186 ( 2.897 2.096 -4.445) 5.705 5.396 ( 1.506 -6.106 2.033) 6.610 5.396 ( 1.506 6.106 2.033) 6.610 5.526 ( -1.618 -6.642 6.067) 9.141 5.526 ( -1.618 6.642 6.067) 9.141 5.561 ( 2.730 -11.873 -2.807) 12.502 5.561 ( 2.730 11.873 -2.807) 12.502 5.882 ( -4.457 -7.606 7.679) 11.691 5.882 ( -4.457 7.606 7.679) 11.691 6.073 ( -1.007 -2.045 0.983) 2.483 6.073 ( -1.007 2.045 0.983) 2.483 6.563 ( 1.547 -5.480 -3.365) 6.614 6.563 ( 1.547 5.480 -3.365) 6.614 6.628 ( 2.921 -5.362 -5.923) 8.507 6.628 ( 2.921 5.362 -5.923) 8.507 6.748 ( -0.550 -1.411 -2.545) 2.962 6.748 ( -0.550 1.411 -2.545) 2.962 7.259 ( -0.138 -3.469 -1.625) 3.833 7.259 ( -0.138 3.469 -1.625) 3.833 7.387 ( 2.167 -2.443 10.104) 10.619 7.387 ( 2.167 2.443 10.104) 10.619 7.602 ( -4.124 -5.082 16.906) 18.129 7.602 ( -4.124 5.082 16.906) 18.129 7.759 ( -1.906 -0.720 3.762) 4.278 7.759 ( -1.906 0.720 3.762) 4.278 8.138 ( 0.988 -5.270 -0.797) 5.421 8.138 ( 0.988 5.270 -0.797) 5.421 8.315 ( -2.308 -5.889 3.876) 7.418 8.315 ( -2.308 5.889 3.876) 7.418 8.435 ( -0.545 -3.110 -0.326) 3.174 8.435 ( -0.545 3.110 -0.326) 3.174 8.719 ( 11.195 -4.027 2.075) 12.077 8.719 ( 11.195 4.027 2.075) 12.077 9.000 ( 3.412 -9.660 -0.209) 10.247 9.000 ( 3.412 9.660 -0.209) 10.247 9.218 ( 3.951 -1.663 -8.916) 9.893 9.218 ( 3.951 1.663 -8.916) 9.893 9.364 ( -7.639 -1.011 -0.813) 7.748 9.364 ( -7.639 1.011 -0.813) 7.748 9.437 ( -3.779 -0.867 -0.602) 3.923 9.437 ( -3.779 0.867 -0.602) 3.923 9.864 ( 0.521 -2.608 1.711) 3.162 9.864 ( 0.521 2.608 1.711) 3.162 10.339 ( -0.966 -1.493 -5.073) 5.376 10.339 ( -0.966 1.493 -5.073) 5.376 10.548 ( 1.055 -0.938 -0.544) 1.513 10.548 ( 1.055 0.938 -0.544) 1.513 10.920 ( 0.831 -5.209 -5.339) 7.505 10.920 ( 0.831 5.209 -5.339) 7.505 11.206 ( -0.114 -3.982 4.890) 6.308 11.206 ( -0.114 3.982 4.890) 6.308 11.733 ( -1.794 -5.520 -4.126) 7.121 11.733 ( -1.794 5.520 -4.126) 7.121 12.286 ( 0.406 -11.936 4.205) 12.662 12.286 ( 0.406 11.936 4.205) 12.662 12.715 ( -1.143 -1.639 -4.309) 4.750 12.715 ( -1.143 1.639 -4.309) 4.750 12.904 ( -0.991 -1.575 4.240) 4.630 12.904 ( -0.991 1.575 4.240) 4.630 13.198 ( -1.568 -5.395 -5.273) 7.705 13.198 ( -1.568 5.395 -5.273) 7.705 15.263 ( 2.605 -12.995 2.185) 13.432 15.263 ( 2.605 12.995 2.185) 13.432 15.658 ( -6.664 -5.274 -11.210) 14.067 15.658 ( -6.664 5.274 -11.210) 14.067 16.430 ( -2.614 -0.717 -0.860) 2.844 16.430 ( -2.614 0.717 -0.860) 2.844 17.199 ( 1.889 -7.823 4.696) 9.317 17.199 ( 1.889 7.823 4.696) 9.317 17.436 ( 5.772 -13.785 10.354) 18.181 17.436 ( 5.772 13.785 10.354) 18.181 18.136 ( -3.804 -20.426 -10.239) 23.163 18.136 ( -3.804 20.426 -10.239) 23.163 21.481 ( 1.758 -0.312 0.406) 1.831 21.481 ( 1.758 0.312 0.406) 1.831 21.610 ( -0.198 -1.286 0.866) 1.563 21.610 ( -0.198 1.286 0.866) 1.563 21.766 ( 0.937 -1.693 1.931) 2.733 21.766 ( 0.937 1.693 1.931) 2.733 22.238 ( -1.130 -1.203 -4.530) 4.822 22.238 ( -1.130 1.203 -4.530) 4.822 22.353 ( -3.539 -0.351 -0.823) 3.650 22.353 ( -3.539 0.351 -0.823) 3.650 23.227 ( 3.528 -3.612 4.070) 6.486 23.227 ( 3.528 3.612 4.070) 6.486 ======================= Grid point 94 (50/112) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( -9.951 -2.914 0.718) 10.394 1.478 ( -9.951 2.914 0.718) 10.394 1.764 ( -3.299 -7.315 -3.068) 8.591 1.764 ( -3.299 7.315 -3.068) 8.591 2.019 ( -8.867 -11.768 -2.393) 14.927 2.019 ( -8.867 11.768 -2.393) 14.927 2.320 ( -9.642 -13.952 -8.407) 18.929 2.320 ( -9.642 13.952 -8.407) 18.929 2.377 ( -2.660 -8.534 -2.231) 9.213 2.377 ( -2.660 8.534 -2.231) 9.213 2.663 ( -1.244 -3.434 -3.907) 5.349 2.663 ( -1.244 3.434 -3.907) 5.349 2.944 ( -2.680 -2.107 -3.583) 4.946 2.944 ( -2.680 2.107 -3.583) 4.946 3.004 ( -1.984 -3.629 -0.470) 4.163 3.004 ( -1.984 3.629 -0.470) 4.163 3.143 ( -0.044 -2.391 -4.441) 5.044 3.143 ( -0.044 2.391 -4.441) 5.044 3.409 ( -0.765 -2.500 1.134) 2.850 3.409 ( -0.765 2.500 1.134) 2.850 3.543 ( -5.336 -4.780 -1.852) 7.399 3.543 ( -5.336 4.780 -1.852) 7.399 3.791 ( -3.482 -1.578 2.859) 4.774 3.791 ( -3.482 1.578 2.859) 4.774 4.483 ( 13.113 -11.605 11.405) 20.898 4.483 ( 13.113 11.605 11.405) 20.898 4.574 ( 7.424 -5.126 2.657) 9.405 4.574 ( 7.424 5.126 2.657) 9.405 4.833 ( 1.613 -5.424 2.623) 6.237 4.833 ( 1.613 5.424 2.623) 6.237 4.916 ( 14.830 -2.779 -2.692) 15.327 4.916 ( 14.830 2.779 -2.692) 15.327 4.968 ( 4.343 -5.880 5.824) 9.346 4.968 ( 4.343 5.880 5.824) 9.346 5.149 ( 7.654 -1.911 -8.341) 11.481 5.149 ( 7.654 1.911 -8.341) 11.481 5.428 ( -0.371 -1.130 1.866) 2.213 5.428 ( -0.371 1.130 1.866) 2.213 5.548 ( 2.885 -5.738 -2.429) 6.867 5.548 ( 2.885 5.738 -2.429) 6.867 5.634 ( 0.185 -10.556 8.017) 13.257 5.634 ( 0.185 10.556 8.017) 13.257 5.903 ( -6.458 -3.151 6.484) 9.679 5.903 ( -6.458 3.151 6.484) 9.679 6.067 ( -1.252 -0.890 0.098) 1.539 6.067 ( -1.252 0.890 0.098) 1.539 6.469 ( -1.390 -4.847 -8.454) 9.843 6.469 ( -1.390 4.847 -8.454) 9.843 6.584 ( -3.694 -5.221 -2.208) 6.766 6.584 ( -3.694 5.221 -2.208) 6.766 6.736 ( 2.354 -1.534 -1.681) 3.274 6.736 ( 2.354 1.534 -1.681) 3.274 7.191 ( -3.324 -3.423 -2.658) 5.462 7.191 ( -3.324 3.423 -2.658) 5.462 7.503 ( -4.900 -2.188 6.676) 8.566 7.503 ( -4.900 2.188 6.676) 8.566 7.739 ( 7.026 -6.204 5.301) 10.768 7.739 ( 7.026 6.204 5.301) 10.768 7.860 ( -1.223 -5.737 8.719) 10.508 7.860 ( -1.223 5.737 8.719) 10.508 8.117 ( -2.251 -5.242 1.889) 6.010 8.117 ( -2.251 5.242 1.889) 6.010 8.354 ( 1.458 -5.023 1.736) 5.511 8.354 ( 1.458 5.023 1.736) 5.511 8.487 ( 1.739 -1.503 5.703) 6.148 8.487 ( 1.739 1.503 5.703) 6.148 8.832 ( 6.274 -7.951 -4.875) 11.240 8.832 ( 6.274 7.951 -4.875) 11.240 9.049 ( -0.910 -8.924 -12.374) 15.283 9.049 ( -0.910 8.924 -12.374) 15.283 9.088 ( 5.640 -0.922 -0.244) 5.720 9.088 ( 5.640 0.922 -0.244) 5.720 9.322 ( -1.326 -5.196 0.353) 5.374 9.322 ( -1.326 5.196 0.353) 5.374 9.395 ( -3.855 -8.012 5.190) 10.295 9.395 ( -3.855 8.012 5.190) 10.295 9.898 ( 0.953 -1.133 1.548) 2.142 9.898 ( 0.953 1.133 1.548) 2.142 10.227 ( -2.321 -3.113 -6.822) 7.850 10.227 ( -2.321 3.113 -6.822) 7.850 10.541 ( -1.887 -2.800 -0.518) 3.416 10.541 ( -1.887 2.800 -0.518) 3.416 10.882 ( 1.841 -6.301 -2.722) 7.106 10.882 ( 1.841 6.301 -2.722) 7.106 11.274 ( 0.044 -4.941 4.981) 7.016 11.274 ( 0.044 4.941 4.981) 7.016 11.630 ( -3.667 -6.103 -5.012) 8.707 11.630 ( -3.667 6.103 -5.012) 8.707 12.359 ( 0.688 -10.617 4.701) 11.632 12.359 ( 0.688 10.617 4.701) 11.632 12.655 ( 0.342 -3.338 -3.099) 4.568 12.655 ( 0.342 3.338 -3.099) 4.568 12.917 ( -3.379 -1.966 1.261) 4.108 12.917 ( -3.379 1.966 1.261) 4.108 13.126 ( -0.517 -4.146 -2.181) 4.713 13.126 ( -0.517 4.146 -2.181) 4.713 15.299 ( 0.025 -2.486 -2.104) 3.257 15.299 ( 0.025 2.486 -2.104) 3.257 15.504 ( -1.971 -1.588 -0.579) 2.596 15.504 ( -1.971 1.588 -0.579) 2.596 16.360 ( -4.772 -1.278 -1.525) 5.170 16.360 ( -4.772 1.278 -1.525) 5.170 17.294 ( 2.029 -8.932 4.937) 10.405 17.294 ( 2.029 8.932 4.937) 10.405 17.534 ( -0.284 -3.418 -2.093) 4.018 17.534 ( -0.284 3.418 -2.093) 4.018 18.033 ( 1.573 -9.403 -1.294) 9.621 18.033 ( 1.573 9.403 -1.294) 9.621 21.514 ( 2.820 -0.600 -0.223) 2.892 21.514 ( 2.820 0.600 -0.223) 2.892 21.626 ( 0.236 -1.181 1.361) 1.817 21.626 ( 0.236 1.181 1.361) 1.817 21.802 ( 0.989 -0.610 1.084) 1.589 21.802 ( 0.989 0.610 1.084) 1.589 22.171 ( -1.481 -1.876 -2.780) 3.667 22.171 ( -1.481 1.876 -2.780) 3.667 22.274 ( -5.553 -0.703 -0.800) 5.654 22.274 ( -5.553 0.703 -0.800) 5.654 23.325 ( 4.297 -1.073 2.106) 4.904 23.325 ( 4.297 1.073 2.106) 4.904 ======================= Grid point 96 (51/112) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -7.095 -6.819 0.713) 9.866 1.376 ( -7.095 6.819 0.713) 9.866 1.557 ( -9.187 -14.697 -2.337) 17.489 1.557 ( -9.187 14.697 -2.337) 17.489 1.875 ( -12.059 -10.611 0.224) 16.064 1.875 ( -12.059 10.611 0.224) 16.064 2.151 ( -7.017 -10.893 -0.986) 12.995 2.151 ( -7.017 10.893 -0.986) 12.995 2.430 ( 3.689 -6.640 7.019) 10.342 2.430 ( 3.689 6.640 7.019) 10.342 2.622 ( 3.341 -2.472 -5.742) 7.088 2.622 ( 3.341 2.472 -5.742) 7.088 2.799 ( -9.372 -0.887 0.519) 9.428 2.799 ( -9.372 0.887 0.519) 9.428 2.963 ( -1.657 -3.245 -4.828) 6.049 2.963 ( -1.657 3.245 -4.828) 6.049 3.144 ( -0.470 -4.593 3.822) 5.994 3.144 ( -0.470 4.593 3.822) 5.994 3.427 ( 0.392 -3.305 -0.079) 3.329 3.427 ( 0.392 3.305 -0.079) 3.329 3.498 ( -1.070 -4.897 2.363) 5.542 3.498 ( -1.070 4.897 2.363) 5.542 3.777 ( -0.697 -2.778 -0.562) 2.919 3.777 ( -0.697 2.778 -0.562) 2.919 4.643 ( 5.648 -3.403 1.269) 6.715 4.643 ( 5.648 3.403 1.269) 6.715 4.769 ( 2.749 -1.481 1.317) 3.389 4.769 ( 2.749 1.481 1.317) 3.389 4.928 ( 7.997 -12.029 2.110) 14.598 4.928 ( 7.997 12.029 2.110) 14.598 4.994 ( 1.169 -12.683 -3.194) 13.131 4.994 ( 1.169 12.683 -3.194) 13.131 5.025 ( 13.673 -4.907 -6.449) 15.894 5.025 ( 13.673 4.907 -6.449) 15.894 5.289 ( 11.378 -7.849 3.570) 14.276 5.289 ( 11.378 7.849 3.570) 14.276 5.458 ( 2.491 -0.623 -0.587) 2.634 5.458 ( 2.491 0.623 -0.587) 2.634 5.543 ( 2.942 -8.531 -3.701) 9.753 5.543 ( 2.942 8.531 -3.701) 9.753 5.758 ( 1.200 -7.354 8.101) 11.007 5.758 ( 1.200 7.354 8.101) 11.007 5.880 ( -7.039 -3.843 4.183) 9.045 5.880 ( -7.039 3.843 4.183) 9.045 6.016 ( -5.146 -4.150 -1.638) 6.811 6.016 ( -5.146 4.150 -1.638) 6.811 6.353 ( -2.543 -8.456 -2.874) 9.286 6.353 ( -2.543 8.456 -2.874) 9.286 6.470 ( -7.262 -4.019 -2.078) 8.556 6.470 ( -7.262 4.019 -2.078) 8.556 6.744 ( 3.303 -3.575 -2.434) 5.442 6.744 ( 3.303 3.575 -2.434) 5.442 7.124 ( -5.228 -2.825 1.388) 6.102 7.124 ( -5.228 2.825 1.388) 6.102 7.498 ( -2.335 -1.701 1.511) 3.260 7.498 ( -2.335 1.701 1.511) 3.260 7.795 ( 2.992 -9.001 -6.630) 11.573 7.795 ( 2.992 9.001 -6.630) 11.573 7.988 ( 2.526 -2.340 6.942) 7.749 7.988 ( 2.526 2.340 6.942) 7.749 8.162 ( -2.631 -8.095 6.687) 10.824 8.162 ( -2.631 8.095 6.687) 10.824 8.374 ( 2.040 -2.443 -1.790) 3.651 8.374 ( 2.040 2.443 -1.790) 3.651 8.572 ( 0.197 -2.121 1.726) 2.741 8.572 ( 0.197 2.121 1.726) 2.741 8.784 ( 3.395 -6.725 -8.784) 11.571 8.784 ( 3.395 6.725 -8.784) 11.571 8.911 ( 3.112 -0.923 -5.792) 6.639 8.911 ( 3.112 0.923 -5.792) 6.639 9.129 ( -5.163 -3.306 3.509) 7.064 9.129 ( -5.163 3.306 3.509) 7.064 9.357 ( 7.249 -7.880 0.499) 10.719 9.357 ( 7.249 7.880 0.499) 10.719 9.457 ( -1.460 -5.163 6.070) 8.101 9.457 ( -1.460 5.163 6.070) 8.101 9.922 ( 0.704 -7.192 -0.136) 7.227 9.922 ( 0.704 7.192 -0.136) 7.227 10.128 ( -0.054 -1.974 -4.020) 4.479 10.128 ( -0.054 1.974 -4.020) 4.479 10.494 ( -3.043 -5.425 -0.227) 6.224 10.494 ( -3.043 5.425 -0.227) 6.224 10.875 ( 0.064 -5.333 -1.213) 5.469 10.875 ( 0.064 5.333 -1.213) 5.469 11.332 ( -0.341 -6.805 3.322) 7.580 11.332 ( -0.341 6.805 3.322) 7.580 11.522 ( -2.536 -5.912 -3.681) 7.412 11.522 ( -2.536 5.912 -3.681) 7.412 12.411 ( -1.816 -7.102 3.658) 8.193 12.411 ( -1.816 7.102 3.658) 8.193 12.648 ( 2.788 -0.817 -1.215) 3.149 12.648 ( 2.788 0.817 -1.215) 3.149 12.866 ( -2.889 -3.418 -0.743) 4.537 12.866 ( -2.889 3.418 -0.743) 4.537 13.117 ( -0.877 -3.055 1.130) 3.374 13.117 ( -0.877 3.055 1.130) 3.374 15.238 ( -1.420 -9.956 -2.317) 10.321 15.238 ( -1.420 9.956 -2.317) 10.321 15.544 ( 0.489 -6.609 4.123) 7.805 15.544 ( 0.489 6.609 4.123) 7.805 16.272 ( -3.846 -1.819 -2.104) 4.746 16.272 ( -3.846 1.819 -2.104) 4.746 17.373 ( 0.758 -9.364 3.374) 9.982 17.373 ( 0.758 9.364 3.374) 9.982 17.458 ( -2.162 -8.304 -3.222) 9.166 17.458 ( -2.162 8.304 -3.222) 9.166 18.080 ( 3.379 -2.950 0.322) 4.497 18.080 ( 3.379 2.950 0.322) 4.497 21.551 ( 3.082 -0.044 -0.436) 3.113 21.551 ( 3.082 0.044 -0.436) 3.113 21.644 ( 0.527 -1.483 0.142) 1.580 21.644 ( 0.527 1.483 0.142) 1.580 21.818 ( 0.132 -0.917 0.166) 0.941 21.818 ( 0.132 0.917 0.166) 0.941 22.120 ( -3.443 -1.388 0.237) 3.720 22.120 ( -3.443 1.388 0.237) 3.720 22.207 ( -2.346 -0.815 -0.369) 2.511 22.207 ( -2.346 0.815 -0.369) 2.511 23.392 ( 3.101 -0.813 -0.029) 3.206 23.392 ( 3.101 0.813 -0.029) 3.206 ======================= Grid point 98 (52/112) ======================= q-point: ( 0.44 -0.50 -0.83) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -0.905 -8.503 8.921) 12.357 1.362 ( -0.905 8.503 8.921) 12.357 1.561 ( -0.508 -7.726 9.306) 12.106 1.561 ( -0.508 7.726 9.306) 12.106 1.796 ( -6.769 -11.024 9.668) 16.149 1.796 ( -6.769 11.024 9.668) 16.149 2.098 ( -2.239 -9.873 3.576) 10.736 2.098 ( -2.239 9.873 3.576) 10.736 2.521 ( 3.771 -3.169 -6.513) 8.166 2.521 ( 3.771 3.169 -6.513) 8.166 2.573 ( -4.291 -1.274 2.468) 5.112 2.573 ( -4.291 1.274 2.468) 5.112 2.745 ( -1.314 -3.063 0.606) 3.388 2.745 ( -1.314 3.063 0.606) 3.388 2.905 ( 0.562 -0.762 1.428) 1.714 2.905 ( 0.562 0.762 1.428) 1.714 3.195 ( -1.595 -4.782 4.905) 7.033 3.195 ( -1.595 4.782 4.905) 7.033 3.443 ( 0.496 -4.395 2.534) 5.097 3.443 ( 0.496 4.395 2.534) 5.097 3.508 ( -1.390 -4.720 0.104) 4.921 3.508 ( -1.390 4.720 0.104) 4.921 3.763 ( 0.131 -3.747 -1.402) 4.002 3.763 ( 0.131 3.747 -1.402) 4.002 4.651 ( 1.776 -7.635 -7.037) 10.535 4.651 ( 1.776 7.635 -7.037) 10.535 4.793 ( -1.714 -3.568 0.501) 3.990 4.793 ( -1.714 3.568 0.501) 3.990 4.912 ( 6.159 -3.549 -9.615) 11.958 4.912 ( 6.159 3.549 -9.615) 11.958 4.999 ( 3.300 -7.502 -3.283) 8.829 4.999 ( 3.300 7.502 -3.283) 8.829 5.163 ( 6.394 -9.933 -0.265) 11.816 5.163 ( 6.394 9.933 -0.265) 11.816 5.327 ( -1.630 -3.634 -12.819) 13.423 5.327 ( -1.630 3.634 -12.819) 13.423 5.486 ( 3.644 -8.688 1.400) 9.525 5.486 ( 3.644 8.688 1.400) 9.525 5.567 ( 1.139 -10.844 0.577) 10.919 5.567 ( 1.139 10.844 0.577) 10.919 5.790 ( -3.574 -5.620 -0.360) 6.670 5.790 ( -3.574 5.620 -0.360) 6.670 5.918 ( -1.763 -6.621 1.169) 6.951 5.918 ( -1.763 6.621 1.169) 6.951 5.927 ( -2.672 -7.183 7.745) 10.896 5.927 ( -2.672 7.183 7.745) 10.896 6.328 ( -1.933 -3.029 3.477) 5.000 6.328 ( -1.933 3.029 3.477) 5.000 6.410 ( 1.083 -6.196 1.931) 6.580 6.410 ( 1.083 6.196 1.931) 6.580 6.777 ( 3.756 -4.777 0.369) 6.088 6.777 ( 3.756 4.777 0.369) 6.088 7.076 ( -5.083 -4.342 1.707) 6.900 7.076 ( -5.083 4.342 1.707) 6.900 7.472 ( -0.381 -2.192 -4.087) 4.653 7.472 ( -0.381 2.192 -4.087) 4.653 7.719 ( 2.143 -6.670 -8.993) 11.400 7.719 ( 2.143 6.670 -8.993) 11.400 8.056 ( 0.286 -0.988 0.490) 1.139 8.056 ( 0.286 0.988 0.490) 1.139 8.107 ( -6.412 -9.308 -4.090) 12.020 8.107 ( -6.412 9.308 -4.090) 12.020 8.401 ( 1.809 -5.931 1.284) 6.332 8.401 ( 1.809 5.931 1.284) 6.332 8.563 ( -0.344 -5.641 -1.334) 5.807 8.563 ( -0.344 5.641 -1.334) 5.807 8.753 ( 4.738 -8.036 -4.853) 10.515 8.753 ( 4.738 8.036 -4.853) 10.515 8.934 ( 6.052 -3.876 -2.038) 7.471 8.934 ( 6.052 3.876 -2.038) 7.471 9.124 ( -5.222 -4.910 8.412) 11.052 9.124 ( -5.222 4.910 8.412) 11.052 9.434 ( -2.460 -2.854 1.094) 3.923 9.434 ( -2.460 2.854 1.094) 3.923 9.506 ( 1.892 -7.426 3.272) 8.333 9.506 ( 1.892 7.426 3.272) 8.333 9.931 ( 2.609 -8.966 -0.374) 9.346 9.931 ( 2.609 8.966 -0.374) 9.346 10.117 ( 0.707 -1.009 0.048) 1.233 10.117 ( 0.707 1.009 0.048) 1.233 10.481 ( -0.340 -8.308 2.433) 8.664 10.481 ( -0.340 8.308 2.433) 8.664 10.842 ( -0.598 -4.608 -2.765) 5.407 10.842 ( -0.598 4.608 -2.765) 5.407 11.338 ( -1.864 -6.224 -0.190) 6.500 11.338 ( -1.864 6.224 -0.190) 6.500 11.485 ( 0.850 -3.785 -0.058) 3.880 11.485 ( 0.850 3.785 -0.058) 3.880 12.413 ( -3.085 -5.897 2.069) 6.970 12.413 ( -3.085 5.897 2.069) 6.970 12.681 ( 3.228 -4.606 -0.650) 5.662 12.681 ( 3.228 4.606 -0.650) 5.662 12.845 ( -1.516 -3.853 2.023) 4.608 12.845 ( -1.516 3.853 2.023) 4.608 13.118 ( -1.221 -2.751 1.170) 3.229 13.118 ( -1.221 2.751 1.170) 3.229 15.233 ( 1.334 -11.963 2.067) 12.214 15.233 ( 1.334 11.963 2.067) 12.214 15.569 ( -3.224 -7.634 1.447) 8.412 15.569 ( -3.224 7.634 1.447) 8.412 16.223 ( 0.257 -1.982 -0.934) 2.206 16.223 ( 0.257 1.982 -0.934) 2.206 17.390 ( -1.169 -2.407 -0.650) 2.754 17.390 ( -1.169 2.407 -0.650) 2.754 17.441 ( 0.657 -3.613 2.782) 4.607 17.441 ( 0.657 3.613 2.782) 4.607 18.099 ( 0.911 -4.335 -2.250) 4.968 18.099 ( 0.911 4.335 -2.250) 4.968 21.576 ( 1.833 -0.454 -1.271) 2.277 21.576 ( 1.833 0.454 -1.271) 2.277 21.638 ( -0.301 -1.189 -1.287) 1.778 21.638 ( -0.301 1.189 -1.287) 1.778 21.819 ( 0.074 -2.337 0.268) 2.354 21.819 ( 0.074 2.337 0.268) 2.354 22.093 ( -2.000 -0.991 1.561) 2.724 22.093 ( -2.000 0.991 1.561) 2.724 22.206 ( 0.047 -1.337 2.454) 2.795 22.206 ( 0.047 1.337 2.454) 2.795 23.404 ( 1.012 -1.362 -2.419) 2.954 23.404 ( 1.012 1.362 -2.419) 2.954 ======================= Grid point 100 (53/112) ======================= q-point: (-0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -3.243 -3.271 10.733) 11.679 1.511 ( -3.243 3.271 10.733) 11.679 1.727 ( 2.615 -5.889 13.861) 15.286 1.727 ( 2.615 5.889 13.861) 15.286 1.963 ( 3.509 -19.445 13.071) 23.691 1.963 ( 3.509 19.445 13.071) 23.691 2.191 ( 6.294 -9.549 4.636) 12.341 2.191 ( 6.294 9.549 4.636) 12.341 2.433 ( -7.143 -0.354 5.238) 8.865 2.433 ( -7.143 0.354 5.238) 8.865 2.544 ( 4.955 -4.472 -6.530) 9.338 2.544 ( 4.955 4.472 -6.530) 9.338 2.820 ( 6.458 -4.152 4.963) 9.142 2.820 ( 6.458 4.152 4.963) 9.142 2.988 ( 0.208 -1.811 6.773) 7.014 2.988 ( 0.208 1.811 6.773) 7.014 3.225 ( 1.054 -1.048 0.653) 1.623 3.225 ( 1.054 1.048 0.653) 1.623 3.469 ( -2.254 -1.907 -0.092) 2.954 3.469 ( -2.254 1.907 -0.092) 2.954 3.513 ( 1.548 -1.969 3.389) 4.214 3.513 ( 1.548 1.969 3.389) 4.214 3.721 ( -2.558 -3.007 -1.989) 4.420 3.721 ( -2.558 3.007 -1.989) 4.420 4.573 ( 1.424 -5.623 -7.989) 9.873 4.573 ( 1.424 5.623 -7.989) 9.873 4.665 ( -6.701 -4.167 -7.522) 10.902 4.665 ( -6.701 4.167 -7.522) 10.902 4.863 ( -4.206 -1.987 -6.025) 7.612 4.863 ( -4.206 1.987 -6.025) 7.612 4.963 ( 1.104 -10.029 -14.285) 17.489 4.963 ( 1.104 10.029 -14.285) 17.489 5.030 ( 1.554 -7.098 -7.130) 10.180 5.030 ( 1.554 7.098 -7.130) 10.180 5.294 ( 0.136 -5.940 1.921) 6.244 5.294 ( 0.136 5.940 1.921) 6.244 5.435 ( -1.326 -2.684 -5.713) 6.449 5.435 ( -1.326 2.684 -5.713) 6.449 5.560 ( -4.267 -11.183 1.224) 12.032 5.560 ( -4.267 11.183 1.224) 12.032 5.739 ( -3.840 -2.591 1.400) 4.839 5.739 ( -3.840 2.591 1.400) 4.839 5.859 ( -3.404 -5.745 -0.476) 6.695 5.859 ( -3.404 5.745 -0.476) 6.695 6.067 ( -0.141 -5.321 8.037) 9.639 6.067 ( -0.141 5.321 8.037) 9.639 6.418 ( 5.649 -4.768 4.268) 8.536 6.418 ( 5.649 4.768 4.268) 8.536 6.513 ( 4.930 -2.874 5.652) 8.032 6.513 ( 4.930 2.874 5.652) 8.032 6.853 ( 2.793 -4.374 3.363) 6.184 6.853 ( 2.793 4.374 3.363) 6.184 7.033 ( -0.973 -4.364 -1.213) 4.633 7.033 ( -0.973 4.364 -1.213) 4.633 7.331 ( 0.099 -3.057 -16.109) 16.397 7.331 ( 0.099 3.057 -16.109) 16.397 7.636 ( 0.201 -4.656 -4.672) 6.599 7.636 ( 0.201 4.656 -4.672) 6.599 7.942 ( -6.257 -7.197 -4.605) 10.590 7.942 ( -6.257 7.197 -4.605) 10.590 8.081 ( 0.667 -3.929 1.936) 4.431 8.081 ( 0.667 3.929 1.936) 4.431 8.433 ( -2.484 -9.355 1.640) 9.818 8.433 ( -2.484 9.355 1.640) 9.818 8.471 ( -3.181 -5.028 -6.052) 8.487 8.471 ( -3.181 5.028 -6.052) 8.487 8.798 ( 8.453 -11.299 -2.773) 14.381 8.798 ( 8.453 11.299 -2.773) 14.381 8.991 ( 6.445 -4.062 -2.739) 8.096 8.991 ( 6.445 4.062 -2.739) 8.096 9.192 ( -4.120 -2.423 7.790) 9.139 9.192 ( -4.120 2.423 7.790) 9.139 9.387 ( -5.459 -2.094 4.049) 7.112 9.387 ( -5.459 2.094 4.049) 7.112 9.543 ( -3.461 -7.567 2.678) 8.741 9.543 ( -3.461 7.567 2.678) 8.741 9.960 ( -1.278 -2.668 0.777) 3.058 9.960 ( -1.278 2.668 0.777) 3.058 10.144 ( 4.214 -3.305 0.457) 5.375 10.144 ( 4.214 3.305 0.457) 5.375 10.544 ( 1.692 -9.187 4.129) 10.213 10.544 ( 1.692 9.187 4.129) 10.213 10.811 ( 3.767 -3.372 -3.749) 6.294 10.811 ( 3.767 3.372 -3.749) 6.294 11.289 ( -3.638 -3.062 -1.118) 4.885 11.289 ( -3.638 3.062 -1.118) 4.885 11.528 ( 4.248 -4.112 0.884) 5.978 11.528 ( 4.248 4.112 0.884) 5.978 12.391 ( -3.310 -6.495 1.291) 7.403 12.391 ( -3.310 6.495 1.291) 7.403 12.711 ( 2.609 -5.850 -1.032) 6.488 12.711 ( 2.609 5.850 -1.032) 6.488 12.862 ( -2.207 -4.606 3.542) 6.215 12.862 ( -2.207 4.606 3.542) 6.215 13.130 ( 0.758 -3.289 1.665) 3.764 13.130 ( 0.758 3.289 1.665) 3.764 15.330 ( 3.781 -8.589 6.389) 11.353 15.330 ( 3.781 8.589 6.389) 11.353 15.501 ( -4.848 -7.078 -1.886) 8.784 15.501 ( -4.848 7.078 -1.886) 8.784 16.248 ( 3.529 -1.517 -0.070) 3.842 16.248 ( 3.529 1.517 -0.070) 3.842 17.338 ( -4.112 -6.273 -1.548) 7.658 17.338 ( -4.112 6.273 -1.548) 7.658 17.528 ( 3.692 -1.199 4.382) 5.854 17.528 ( 3.692 1.199 4.382) 5.854 18.052 ( -0.931 -2.794 -3.523) 4.592 18.052 ( -0.931 2.794 -3.523) 4.592 21.562 ( 0.333 -0.541 -2.935) 3.003 21.562 ( 0.333 0.541 -2.935) 3.003 21.611 ( -1.452 -0.628 -0.258) 1.603 21.611 ( -1.452 0.628 -0.258) 1.603 21.823 ( -0.393 -1.650 -0.019) 1.696 21.823 ( -0.393 1.650 -0.019) 1.696 22.107 ( 1.760 -1.156 0.550) 2.176 22.107 ( 1.760 1.156 0.550) 2.176 22.271 ( 0.503 -1.672 6.349) 6.584 22.271 ( 0.503 1.672 6.349) 6.584 23.355 ( -1.040 -0.331 -4.557) 4.686 23.355 ( -1.040 0.331 -4.557) 4.686 ======================= Grid point 102 (54/112) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -5.109 -2.164 6.864) 8.826 1.553 ( -5.109 2.164 6.864) 8.826 1.894 ( -3.200 -8.483 5.261) 10.482 1.894 ( -3.200 8.483 5.261) 10.482 2.103 ( 3.132 -3.830 7.710) 9.161 2.103 ( 3.132 3.830 7.710) 9.161 2.380 ( 9.481 -2.601 5.195) 11.119 2.380 ( 9.481 2.601 5.195) 11.119 2.523 ( 8.356 -5.533 -3.158) 10.507 2.523 ( 8.356 5.533 -3.158) 10.507 2.633 ( 5.671 -6.345 11.828) 14.571 2.633 ( 5.671 6.345 11.828) 14.571 3.009 ( 2.762 -2.050 5.628) 6.595 3.009 ( 2.762 2.050 5.628) 6.595 3.054 ( 3.389 -1.228 6.085) 7.072 3.054 ( 3.389 1.228 6.085) 7.072 3.274 ( 3.875 -6.485 1.335) 7.671 3.274 ( 3.875 6.485 1.335) 7.671 3.431 ( -1.932 -0.840 -0.652) 2.205 3.431 ( -1.932 0.840 -0.652) 2.205 3.547 ( 2.869 -4.237 -2.187) 5.564 3.547 ( 2.869 4.237 -2.187) 5.564 3.724 ( -0.677 -1.795 7.632) 7.870 3.724 ( -0.677 1.795 7.632) 7.870 4.305 ( -15.814 -15.865 -11.696) 25.270 4.305 ( -15.814 15.865 -11.696) 25.270 4.554 ( 1.610 -5.449 -15.857) 16.844 4.554 ( 1.610 5.449 -15.857) 16.844 4.672 ( -1.873 -1.314 -0.991) 2.493 4.672 ( -1.873 1.314 -0.991) 2.493 4.807 ( -1.977 -5.410 -8.098) 9.937 4.807 ( -1.977 5.410 -8.098) 9.937 5.027 ( -1.632 -5.157 0.727) 5.458 5.027 ( -1.632 5.157 0.727) 5.458 5.195 ( -2.843 -4.975 -7.090) 9.116 5.195 ( -2.843 4.975 -7.090) 9.116 5.437 ( -0.121 -5.982 1.596) 6.193 5.437 ( -0.121 5.982 1.596) 6.193 5.500 ( -5.008 -3.953 0.950) 6.450 5.500 ( -5.008 3.953 0.950) 6.450 5.706 ( -1.836 -7.421 -0.662) 7.673 5.706 ( -1.836 7.421 -0.662) 7.673 5.842 ( -3.970 -5.699 4.436) 8.241 5.842 ( -3.970 5.699 4.436) 8.241 6.087 ( -5.263 -4.219 1.267) 6.863 6.087 ( -5.263 4.219 1.267) 6.863 6.529 ( 5.729 -5.651 0.300) 8.053 6.529 ( 5.729 5.651 0.300) 8.053 6.675 ( 6.302 -1.071 4.921) 8.067 6.675 ( 6.302 1.071 4.921) 8.067 6.857 ( -3.579 -0.796 -3.343) 4.961 6.857 ( -3.579 0.796 -3.343) 4.961 7.014 ( 4.308 -2.004 -10.136) 11.194 7.014 ( 4.308 2.004 -10.136) 11.194 7.200 ( 6.056 -5.529 -0.358) 8.208 7.200 ( 6.056 5.529 -0.358) 8.208 7.590 ( -3.597 -4.212 0.543) 5.565 7.590 ( -3.597 4.212 0.543) 5.565 7.795 ( -6.880 -7.039 -4.623) 10.875 7.795 ( -6.880 7.039 -4.623) 10.875 8.119 ( 1.896 -1.449 -0.835) 2.528 8.119 ( 1.896 1.449 -0.835) 2.528 8.303 ( -6.589 -3.615 -3.169) 8.156 8.303 ( -6.589 3.615 -3.169) 8.156 8.448 ( -0.443 -9.065 1.237) 9.160 8.448 ( -0.443 9.065 1.237) 9.160 8.879 ( 7.113 -13.056 -2.405) 15.061 8.879 ( 7.113 13.056 -2.405) 15.061 9.003 ( 0.392 -1.502 -4.394) 4.660 9.003 ( 0.392 1.502 -4.394) 4.660 9.186 ( -3.044 -5.132 1.821) 6.239 9.186 ( -3.044 5.132 1.821) 6.239 9.389 ( -3.479 -2.463 1.201) 4.429 9.389 ( -3.479 2.463 1.201) 4.429 9.548 ( -4.827 -1.685 9.794) 11.048 9.548 ( -4.827 1.685 9.794) 11.048 9.918 ( -3.383 -7.541 -0.872) 8.311 9.918 ( -3.383 7.541 -0.872) 8.311 10.234 ( 6.606 -6.942 0.368) 9.590 10.234 ( 6.606 6.942 0.368) 9.590 10.596 ( 0.270 -4.597 1.157) 4.748 10.596 ( 0.270 4.597 1.157) 4.748 10.865 ( 8.035 -2.673 -0.772) 8.503 10.865 ( 8.035 2.673 -0.772) 8.503 11.215 ( -4.651 -2.248 -1.060) 5.273 11.215 ( -4.651 2.248 -1.060) 5.273 11.614 ( 6.398 -4.759 0.496) 7.989 11.614 ( 6.398 4.759 0.496) 7.989 12.356 ( -4.473 -8.277 1.277) 9.495 12.356 ( -4.473 8.277 1.277) 9.495 12.725 ( 2.903 -6.309 -2.251) 7.300 12.725 ( 2.903 6.309 -2.251) 7.300 12.875 ( -3.095 -5.573 4.038) 7.545 12.875 ( -3.095 5.573 4.038) 7.545 13.186 ( 3.180 -4.468 2.250) 5.928 13.186 ( 3.180 4.468 2.250) 5.928 15.357 ( -6.286 -11.975 -1.154) 13.574 15.357 ( -6.286 11.975 -1.154) 13.574 15.563 ( 9.759 -7.568 8.175) 14.810 15.563 ( 9.759 7.568 8.175) 14.810 16.292 ( 4.279 -1.078 -1.930) 4.817 16.292 ( 4.279 1.078 -1.930) 4.817 17.246 ( -5.122 -7.251 -2.108) 9.124 17.246 ( -5.122 7.251 -2.108) 9.124 17.568 ( -5.320 -11.634 -1.007) 12.832 17.568 ( -5.320 11.634 -1.007) 12.832 18.055 ( 6.325 -17.286 1.816) 18.496 18.055 ( 6.325 17.286 1.816) 18.496 21.518 ( -1.029 -0.390 -2.363) 2.607 21.518 ( -1.029 0.390 -2.363) 2.607 21.598 ( -0.638 -1.358 0.362) 1.543 21.598 ( -0.638 1.358 0.362) 1.543 21.800 ( -2.154 -0.649 -0.688) 2.352 21.800 ( -2.154 0.649 -0.688) 2.352 22.152 ( 4.392 -0.364 -0.126) 4.409 22.152 ( 4.392 0.364 -0.126) 4.409 22.373 ( 0.440 -1.328 6.831) 6.973 22.373 ( 0.440 1.328 6.831) 6.973 23.261 ( -2.692 -2.030 -5.145) 6.151 23.261 ( -2.692 2.030 -5.145) 6.151 ======================= Grid point 104 (55/112) ======================= q-point: (-0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 0.838 -5.156 5.084) 7.290 1.603 ( 0.838 5.156 5.084) 7.290 1.901 ( -2.659 -17.333 4.735) 18.164 1.901 ( -2.659 17.333 4.735) 18.164 2.226 ( 5.258 -3.293 -1.133) 6.307 2.226 ( 5.258 3.293 -1.133) 6.307 2.490 ( 8.014 -4.879 -4.290) 10.317 2.490 ( 8.014 4.879 -4.290) 10.317 2.624 ( 2.199 -6.942 3.376) 8.026 2.624 ( 2.199 6.942 3.376) 8.026 2.831 ( 9.703 -2.009 1.924) 10.094 2.831 ( 9.703 2.009 1.924) 10.094 3.028 ( 1.155 -4.128 0.379) 4.303 3.028 ( 1.155 4.128 0.379) 4.303 3.167 ( 0.481 -3.177 -2.312) 3.959 3.167 ( 0.481 3.177 -2.312) 3.959 3.369 ( 3.563 -3.142 4.960) 6.868 3.369 ( 3.563 3.142 4.960) 6.868 3.448 ( -0.110 -2.061 5.230) 5.622 3.448 ( -0.110 2.061 5.230) 5.622 3.608 ( 6.576 -3.031 -0.801) 7.285 3.608 ( 6.576 3.031 -0.801) 7.285 3.802 ( -3.940 -8.275 2.196) 9.424 3.802 ( -3.940 8.275 2.196) 9.424 4.045 ( -8.400 -6.135 7.660) 12.918 4.045 ( -8.400 6.135 7.660) 12.918 4.298 ( -1.238 -0.859 -17.387) 17.452 4.298 ( -1.238 0.859 -17.387) 17.452 4.655 ( -7.029 -4.297 -2.189) 8.524 4.655 ( -7.029 4.297 -2.189) 8.524 4.743 ( 3.162 -5.025 1.882) 6.229 4.743 ( 3.162 5.025 1.882) 6.229 4.953 ( -6.889 -2.963 -0.679) 7.530 4.953 ( -6.889 2.963 -0.679) 7.530 5.154 ( 5.172 -6.290 -2.711) 8.583 5.154 ( 5.172 6.290 -2.711) 8.583 5.395 ( -8.335 -7.676 3.541) 11.871 5.395 ( -8.335 7.676 3.541) 11.871 5.473 ( -1.029 -4.689 -1.405) 5.002 5.473 ( -1.029 4.689 -1.405) 5.002 5.670 ( 0.293 -12.419 -2.965) 12.772 5.670 ( 0.293 12.419 -2.965) 12.772 5.829 ( -6.997 -8.532 4.260) 11.828 5.829 ( -6.997 8.532 4.260) 11.828 6.014 ( -2.993 -7.131 -1.667) 7.911 6.014 ( -2.993 7.131 -1.667) 7.911 6.596 ( 3.169 -3.620 0.512) 4.838 6.596 ( 3.169 3.620 0.512) 4.838 6.698 ( 2.614 -3.452 -8.279) 9.343 6.698 ( 2.614 3.452 -8.279) 9.343 6.835 ( 1.206 -0.953 3.173) 3.526 6.835 ( 1.206 0.953 3.173) 3.526 6.963 ( 4.189 -2.090 -3.228) 5.687 6.963 ( 4.189 2.090 -3.228) 5.687 7.315 ( -2.787 -1.776 4.368) 5.478 7.315 ( -2.787 1.776 4.368) 5.478 7.553 ( -4.521 -5.178 3.465) 7.698 7.553 ( -4.521 5.178 3.465) 7.698 7.640 ( -3.511 -3.889 -4.286) 6.768 7.640 ( -3.511 3.889 -4.286) 6.768 8.084 ( 1.017 -3.535 -5.362) 6.503 8.084 ( 1.017 3.535 -5.362) 6.503 8.244 ( -1.660 -11.761 2.589) 12.157 8.244 ( -1.660 11.761 2.589) 12.157 8.481 ( 1.359 -8.834 1.609) 9.082 8.481 ( 1.359 8.834 1.609) 9.082 8.844 ( -10.591 -3.027 -2.361) 11.265 8.844 ( -10.591 3.027 -2.361) 11.265 8.936 ( 2.935 -14.082 -3.096) 14.714 8.936 ( 2.935 14.082 -3.096) 14.714 9.196 ( 2.349 -5.388 -0.873) 5.942 9.196 ( 2.349 5.388 -0.873) 5.942 9.374 ( 1.445 -2.553 0.630) 3.001 9.374 ( 1.445 2.553 0.630) 3.001 9.617 ( -4.360 -5.328 6.915) 9.758 9.617 ( -4.360 5.328 6.915) 9.758 9.867 ( -1.512 -6.125 -1.159) 6.414 9.867 ( -1.512 6.125 -1.159) 6.414 10.310 ( 4.993 -6.874 -1.038) 8.559 10.310 ( 4.993 6.874 -1.038) 8.559 10.601 ( 0.916 -2.347 -1.158) 2.773 10.601 ( 0.916 2.347 -1.158) 2.773 10.969 ( 6.086 -1.830 0.518) 6.377 10.969 ( 6.086 1.830 0.518) 6.377 11.145 ( -3.660 -1.949 -0.401) 4.166 11.145 ( -3.660 1.949 -0.401) 4.166 11.702 ( 6.193 -4.267 -0.458) 7.534 11.702 ( 6.193 4.267 -0.458) 7.534 12.307 ( -5.514 -9.746 1.814) 11.343 12.307 ( -5.514 9.746 1.814) 11.343 12.735 ( 3.622 -6.742 -2.627) 8.091 12.735 ( 3.622 6.742 -2.627) 8.091 12.888 ( -2.970 -5.364 3.678) 7.150 12.888 ( -2.970 5.364 3.678) 7.150 13.261 ( 3.714 -4.961 1.140) 6.301 13.261 ( 3.714 4.961 1.140) 6.301 15.260 ( -4.259 -14.319 -1.659) 15.030 15.260 ( -4.259 14.319 -1.659) 15.030 15.865 ( 13.795 -3.151 11.501) 18.234 15.865 ( 13.795 3.151 11.501) 18.234 16.297 ( 4.668 -0.991 -7.003) 8.475 16.297 ( 4.668 0.991 -7.003) 8.475 17.155 ( -4.579 -7.098 -1.034) 8.510 17.155 ( -4.579 7.098 -1.034) 8.510 17.370 ( -16.308 -14.465 -2.861) 21.986 17.370 ( -16.308 14.465 -2.861) 21.986 18.238 ( 11.695 -20.953 3.104) 24.196 18.238 ( 11.695 20.953 3.104) 24.196 21.479 ( -1.317 -0.598 -0.871) 1.688 21.479 ( -1.317 0.598 -0.871) 1.688 21.600 ( -0.040 -1.966 0.405) 2.008 21.600 ( -0.040 1.966 0.405) 2.008 21.756 ( -2.584 -2.113 -0.509) 3.376 21.756 ( -2.584 2.113 -0.509) 3.376 22.222 ( 5.720 -1.496 0.116) 5.913 22.222 ( 5.720 1.496 0.116) 5.913 22.442 ( -0.213 -1.189 2.354) 2.646 22.442 ( -0.213 1.189 2.354) 2.646 23.159 ( -4.041 -4.773 -2.411) 6.703 23.159 ( -4.041 4.773 -2.411) 6.703 ======================= Grid point 106 (56/112) ======================= q-point: (-0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.684 ( 0.267 -9.546 4.220) 10.441 1.684 ( 0.267 9.546 4.220) 10.441 1.908 ( -1.954 -22.419 -1.978) 22.591 1.908 ( -1.954 22.419 -1.978) 22.591 2.243 ( 8.730 -5.095 -8.025) 12.906 2.243 ( 8.730 5.095 -8.025) 12.906 2.513 ( 7.564 -2.431 -7.831) 11.155 2.513 ( 7.564 2.431 -7.831) 11.155 2.658 ( 1.392 -4.151 0.278) 4.387 2.658 ( 1.392 4.151 0.278) 4.387 2.936 ( 2.693 -1.751 -1.712) 3.640 2.936 ( 2.693 1.751 -1.712) 3.640 3.049 ( 1.849 -2.816 -1.868) 3.852 3.049 ( 1.849 2.816 -1.868) 3.852 3.143 ( 3.036 -5.072 -1.406) 6.076 3.143 ( 3.036 5.072 -1.406) 6.076 3.390 ( -4.406 -3.767 -0.735) 5.843 3.390 ( -4.406 3.767 -0.735) 5.843 3.514 ( -4.754 -19.213 7.281) 21.090 3.514 ( -4.754 19.213 7.281) 21.090 3.611 ( 2.739 -3.694 -0.014) 4.599 3.611 ( 2.739 3.694 -0.014) 4.599 3.849 ( 4.422 -4.418 0.156) 6.253 3.849 ( 4.422 4.418 0.156) 6.253 4.039 ( -0.849 -2.949 -5.592) 6.379 4.039 ( -0.849 2.949 -5.592) 6.379 4.205 ( -1.945 -1.310 6.099) 6.534 4.205 ( -1.945 1.310 6.099) 6.534 4.534 ( -10.628 -4.343 4.603) 12.370 4.534 ( -10.628 4.343 4.603) 12.370 4.776 ( 2.232 -3.810 -3.223) 5.467 4.776 ( 2.232 3.810 -3.223) 5.467 4.914 ( 0.232 -2.011 1.811) 2.716 4.914 ( 0.232 2.011 1.811) 2.716 5.181 ( 0.383 -3.849 -0.614) 3.916 5.181 ( 0.383 3.849 -0.614) 3.916 5.339 ( -5.644 -5.418 2.836) 8.322 5.339 ( -5.644 5.418 2.836) 8.322 5.447 ( 0.833 -3.485 -0.247) 3.591 5.447 ( 0.833 3.485 -0.247) 3.591 5.640 ( 0.681 -10.574 -2.972) 11.005 5.640 ( 0.681 10.574 -2.972) 11.005 5.801 ( -3.617 -11.053 3.948) 12.282 5.801 ( -3.617 11.053 3.948) 12.282 5.984 ( -0.640 -3.723 1.614) 4.108 5.984 ( -0.640 3.723 1.614) 4.108 6.611 ( -0.321 -2.002 -1.202) 2.358 6.611 ( -0.321 2.002 -1.202) 2.358 6.674 ( 3.129 -5.235 -2.285) 6.513 6.674 ( 3.129 5.235 -2.285) 6.513 6.863 ( -1.668 -2.723 0.945) 3.330 6.863 ( -1.668 2.723 0.945) 3.330 7.019 ( 3.149 -2.320 2.911) 4.876 7.019 ( 3.149 2.320 2.911) 4.876 7.232 ( -8.394 -2.163 3.726) 9.435 7.232 ( -8.394 2.163 3.726) 9.435 7.493 ( -5.388 -4.546 -0.443) 7.063 7.493 ( -5.388 4.546 -0.443) 7.063 7.696 ( 3.344 -3.991 6.085) 8.009 7.696 ( 3.344 3.991 6.085) 8.009 8.049 ( 3.121 -3.090 -3.458) 5.590 8.049 ( 3.121 3.090 -3.458) 5.590 8.303 ( 3.654 -9.939 3.482) 11.148 8.303 ( 3.654 9.939 3.482) 11.148 8.474 ( -3.040 -7.102 -2.574) 8.143 8.474 ( -3.040 7.102 -2.574) 8.143 8.675 ( -8.873 -8.255 -0.225) 12.121 8.675 ( -8.873 8.255 -0.225) 12.121 8.943 ( 1.700 -13.020 -0.636) 13.146 8.943 ( 1.700 13.020 -0.636) 13.146 9.216 ( 2.978 -2.172 -1.483) 3.973 9.216 ( 2.978 2.172 -1.483) 3.973 9.426 ( 3.555 -3.748 0.446) 5.185 9.426 ( 3.555 3.748 0.446) 5.185 9.600 ( -5.285 -9.889 1.078) 11.264 9.600 ( -5.285 9.889 1.078) 11.264 9.845 ( -0.535 -3.255 -0.436) 3.327 9.845 ( -0.535 3.255 -0.436) 3.327 10.350 ( 3.690 -5.491 -1.538) 6.792 10.350 ( 3.690 5.491 -1.538) 6.792 10.591 ( 1.120 -2.321 -2.603) 3.663 10.591 ( 1.120 2.321 -2.603) 3.663 11.016 ( 1.496 -0.912 -1.647) 2.405 11.016 ( 1.496 0.912 -1.647) 2.405 11.120 ( -0.722 -2.044 1.470) 2.620 11.120 ( -0.722 2.044 1.470) 2.620 11.764 ( 4.532 -3.844 -1.428) 6.112 11.764 ( 4.532 3.844 -1.428) 6.112 12.262 ( -4.908 -10.737 2.433) 12.054 12.262 ( -4.908 10.737 2.433) 12.054 12.757 ( 3.378 -7.622 -1.280) 8.435 12.757 ( 3.378 7.622 -1.280) 8.435 12.884 ( -2.793 -3.564 1.462) 4.758 12.884 ( -2.793 3.564 1.462) 4.758 13.303 ( 2.181 -5.054 -1.287) 5.653 13.303 ( 2.181 5.054 -1.287) 5.653 15.206 ( -1.485 -15.532 -0.347) 15.607 15.206 ( -1.485 15.532 -0.347) 15.607 16.151 ( -0.361 -0.996 -0.208) 1.080 16.151 ( -0.361 0.996 -0.208) 1.080 16.264 ( 17.435 -2.428 -6.559) 18.785 16.264 ( 17.435 2.428 -6.559) 18.785 17.100 ( -7.789 -9.652 5.591) 13.604 17.100 ( -7.789 9.652 5.591) 13.604 17.150 ( -11.840 -9.498 3.308) 15.535 17.150 ( -11.840 9.498 3.308) 15.535 18.378 ( 7.418 -19.602 -3.630) 21.271 18.378 ( 7.418 19.602 -3.630) 21.271 21.459 ( -0.867 -0.770 0.127) 1.166 21.459 ( -0.867 0.770 0.127) 1.166 21.605 ( -0.005 -2.007 0.260) 2.023 21.605 ( -0.005 2.007 0.260) 2.023 21.727 ( -1.540 -2.619 0.649) 3.107 21.727 ( -1.540 2.619 0.649) 3.107 22.305 ( 4.996 -1.881 0.690) 5.382 22.305 ( 4.996 1.881 0.690) 5.382 22.423 ( -0.445 -1.199 -4.043) 4.240 22.423 ( -0.445 1.199 -4.043) 4.240 23.105 ( -3.674 -6.255 2.787) 7.771 23.105 ( -3.674 6.255 2.787) 7.771 ======================= Grid point 126 (57/112) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( 12.262 0.000 9.209) 15.335 0.914 ( -2.825 0.000 -11.481) 11.823 1.385 ( -0.893 0.000 18.746) 18.767 1.958 ( 12.404 0.000 -8.102) 14.816 1.991 ( -9.293 0.000 12.496) 15.573 2.168 ( -10.446 0.000 -9.842) 14.352 2.202 ( -8.591 0.000 6.156) 10.569 2.302 ( 1.541 0.000 2.230) 2.710 2.543 ( 1.293 0.000 -6.248) 6.381 2.706 ( 9.459 0.000 -0.979) 9.510 2.850 ( 0.121 0.000 -14.624) 14.625 2.880 ( -0.855 0.000 8.365) 8.408 3.119 ( -0.231 0.000 0.569) 0.614 3.153 ( -3.136 0.000 3.555) 4.740 3.158 ( -2.082 0.000 -0.711) 2.200 3.263 ( 4.450 0.000 1.347) 4.649 3.340 ( -2.098 0.000 -2.913) 3.590 3.384 ( 2.413 0.000 -1.938) 3.095 3.395 ( 1.448 0.000 0.513) 1.536 3.606 ( -3.253 0.000 -4.295) 5.388 3.634 ( 13.070 0.000 -8.489) 15.585 3.686 ( -3.501 0.000 -6.721) 7.578 3.758 ( 2.847 0.000 4.745) 5.533 3.846 ( 4.547 0.000 7.252) 8.560 3.947 ( -5.632 0.000 1.626) 5.862 4.041 ( 6.093 0.000 -4.890) 7.813 4.188 ( -7.552 0.000 -7.744) 10.817 4.250 ( -6.680 0.000 -8.207) 10.582 4.487 ( 0.294 0.000 9.028) 9.033 4.521 ( 2.642 0.000 2.250) 3.470 4.584 ( 3.646 0.000 4.669) 5.924 4.700 ( -0.235 0.000 6.243) 6.247 4.750 ( -2.493 0.000 0.926) 2.659 4.751 ( -4.352 0.000 -5.520) 7.029 4.924 ( -3.162 0.000 -0.557) 3.211 4.927 ( 4.729 0.000 1.075) 4.850 5.043 ( -10.061 0.000 -6.505) 11.981 5.141 ( 4.081 0.000 0.358) 4.097 5.467 ( -4.318 0.000 5.072) 6.661 5.529 ( -0.540 0.000 3.660) 3.699 5.550 ( 6.301 0.000 3.081) 7.014 5.737 ( 3.795 0.000 2.540) 4.567 6.013 ( 1.261 0.000 6.018) 6.149 6.044 ( 2.055 0.000 -5.982) 6.325 6.128 ( 6.439 0.000 -6.709) 9.299 6.202 ( -2.677 0.000 -0.903) 2.825 6.330 ( -8.037 0.000 -8.955) 12.033 6.428 ( 3.429 0.000 -7.429) 8.182 6.748 ( -6.804 0.000 4.072) 7.930 6.860 ( 4.222 0.000 1.952) 4.651 6.971 ( 5.106 0.000 5.176) 7.271 7.094 ( -7.086 0.000 -0.022) 7.086 7.180 ( -3.558 0.000 7.123) 7.962 7.364 ( -4.090 0.000 5.393) 6.769 7.464 ( -1.683 0.000 2.769) 3.240 7.467 ( -1.137 0.000 0.246) 1.163 7.566 ( 6.488 0.000 -3.747) 7.493 7.582 ( -6.260 0.000 2.836) 6.872 7.751 ( 10.744 0.000 10.544) 15.054 7.813 ( 0.732 0.000 4.671) 4.728 7.862 ( -2.345 0.000 -0.325) 2.367 7.912 ( 2.149 0.000 19.605) 19.722 8.055 ( 1.557 0.000 11.438) 11.544 8.152 ( -4.482 0.000 4.730) 6.516 8.237 ( 5.042 0.000 1.112) 5.163 8.391 ( 0.422 0.000 -4.150) 4.172 8.423 ( 2.626 0.000 -5.905) 6.463 8.569 ( -5.269 0.000 1.751) 5.552 8.822 ( 2.320 0.000 -1.087) 2.562 8.940 ( -0.619 0.000 -5.761) 5.794 9.160 ( -3.854 0.000 -10.068) 10.780 9.166 ( 4.942 0.000 -8.165) 9.544 9.498 ( 0.458 0.000 5.993) 6.010 9.713 ( 2.966 0.000 0.821) 3.078 9.826 ( -3.464 0.000 2.616) 4.341 9.831 ( -4.595 0.000 -2.343) 5.157 9.962 ( 3.302 0.000 -0.469) 3.335 10.081 ( -0.773 0.000 -8.399) 8.435 10.147 ( -9.258 0.000 6.312) 11.205 10.468 ( 18.988 0.000 -9.836) 21.384 10.471 ( 7.861 0.000 4.628) 9.122 10.775 ( 2.877 0.000 -7.696) 8.216 10.971 ( -3.018 0.000 -0.554) 3.069 11.023 ( -4.512 0.000 -2.524) 5.170 11.140 ( 8.357 0.000 -1.510) 8.493 11.160 ( -8.426 0.000 -0.716) 8.456 11.660 ( -1.088 0.000 -0.415) 1.165 11.661 ( 0.313 0.000 -0.888) 0.942 12.096 ( -8.078 0.000 5.690) 9.881 12.383 ( 8.849 0.000 -4.500) 9.927 12.714 ( -18.982 0.000 2.772) 19.183 12.803 ( 9.042 0.000 -3.106) 9.561 12.881 ( -4.733 0.000 6.172) 7.778 13.136 ( -0.012 0.000 -0.885) 0.885 13.290 ( 0.062 0.000 -4.674) 4.674 13.345 ( -1.578 0.000 -3.624) 3.952 14.825 ( 3.160 0.000 9.889) 10.382 15.398 ( -4.572 0.000 -17.948) 18.521 16.282 ( -0.615 0.000 6.823) 6.851 16.361 ( 3.733 0.000 0.692) 3.796 16.391 ( -1.230 0.000 0.020) 1.230 16.470 ( 1.098 0.000 0.409) 1.171 16.474 ( 3.139 0.000 -0.488) 3.177 16.767 ( 0.096 0.000 -14.785) 14.785 17.012 ( -1.503 0.000 13.428) 13.512 17.306 ( 0.703 0.000 -1.702) 1.842 18.279 ( 1.048 0.000 15.030) 15.066 18.936 ( -1.737 0.000 -15.427) 15.524 21.413 ( -0.372 0.000 -0.595) 0.702 21.417 ( 1.332 0.000 -0.399) 1.391 21.533 ( -0.655 0.000 2.223) 2.318 21.582 ( 1.368 0.000 4.517) 4.720 21.688 ( 0.721 0.000 -3.217) 3.297 21.804 ( -1.574 0.000 -2.245) 2.742 22.334 ( -0.921 0.000 2.162) 2.350 22.398 ( 0.522 0.000 -0.703) 0.876 22.542 ( -0.389 0.000 2.262) 2.295 22.597 ( 2.685 0.000 -0.669) 2.767 22.758 ( 0.120 0.000 6.016) 6.018 22.989 ( -1.549 0.000 -5.009) 5.243 ======================= Grid point 127 (58/112) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -3.761 0.000 -8.042) 8.878 0.942 ( 9.451 0.000 -2.799) 9.857 1.620 ( -0.904 0.000 15.793) 15.819 1.797 ( -16.017 0.000 -9.018) 18.381 1.885 ( 0.229 0.000 -12.199) 12.201 2.030 ( 7.259 0.000 3.952) 8.265 2.242 ( -12.414 0.000 13.188) 18.112 2.349 ( -4.782 0.000 -3.146) 5.724 2.510 ( 2.761 0.000 -1.132) 2.984 2.663 ( -1.455 0.000 -9.117) 9.232 2.954 ( -4.055 0.000 5.734) 7.023 2.958 ( 3.944 0.000 13.274) 13.847 3.042 ( -6.047 0.000 1.241) 6.173 3.069 ( -5.236 0.000 0.369) 5.249 3.154 ( -6.265 0.000 1.945) 6.560 3.282 ( 0.395 0.000 -3.841) 3.862 3.354 ( 2.980 0.000 1.959) 3.566 3.367 ( -2.845 0.000 -0.786) 2.951 3.438 ( 5.442 0.000 -2.783) 6.112 3.487 ( -8.532 0.000 -5.467) 10.133 3.553 ( -2.448 0.000 -11.011) 11.280 3.557 ( -1.103 0.000 0.720) 1.317 3.861 ( 1.013 0.000 6.436) 6.515 3.907 ( 4.935 0.000 -8.580) 9.898 3.982 ( -6.751 0.000 -3.379) 7.550 4.043 ( 3.000 0.000 6.065) 6.767 4.043 ( -3.454 0.000 -8.976) 9.618 4.152 ( 12.516 0.000 4.480) 13.294 4.601 ( 2.848 0.000 2.899) 4.064 4.603 ( 0.818 0.000 -0.427) 0.923 4.661 ( 4.043 0.000 -2.767) 4.899 4.673 ( 0.170 0.000 -0.839) 0.856 4.708 ( 1.439 0.000 3.557) 3.837 4.818 ( 6.139 0.000 -3.414) 7.025 4.903 ( -1.181 0.000 7.965) 8.052 4.937 ( 2.362 0.000 0.940) 2.542 5.038 ( 9.416 0.000 -0.081) 9.416 5.196 ( 12.462 0.000 -3.281) 12.887 5.503 ( -0.256 0.000 2.259) 2.274 5.572 ( 3.204 0.000 1.623) 3.592 5.698 ( 1.411 0.000 8.373) 8.491 5.777 ( 1.381 0.000 -3.647) 3.900 5.954 ( -2.055 0.000 -5.003) 5.408 6.017 ( -2.358 0.000 -10.216) 10.484 6.107 ( -1.148 0.000 6.507) 6.608 6.230 ( 4.105 0.000 -1.842) 4.499 6.255 ( 1.341 0.000 2.944) 3.235 6.328 ( -2.891 0.000 -5.019) 5.792 6.739 ( -3.400 0.000 3.890) 5.167 6.910 ( 0.122 0.000 1.424) 1.429 6.970 ( -7.395 0.000 -1.599) 7.566 7.077 ( -0.747 0.000 3.150) 3.237 7.192 ( -8.797 0.000 6.121) 10.717 7.356 ( -3.536 0.000 0.388) 3.557 7.465 ( -2.442 0.000 1.658) 2.952 7.506 ( -1.821 0.000 6.411) 6.665 7.521 ( -1.936 0.000 0.495) 1.999 7.568 ( 4.500 0.000 -4.883) 6.641 7.825 ( 3.705 0.000 -5.149) 6.344 7.931 ( 7.668 0.000 3.901) 8.603 7.956 ( 0.259 0.000 -5.080) 5.087 8.064 ( 9.507 0.000 12.311) 15.554 8.239 ( 2.491 0.000 8.696) 9.046 8.268 ( -0.647 0.000 -3.146) 3.212 8.349 ( 1.427 0.000 -5.379) 5.565 8.372 ( 4.090 0.000 -7.723) 8.739 8.406 ( 5.819 0.000 23.886) 24.584 8.511 ( 2.524 0.000 -9.201) 9.541 8.819 ( -3.127 0.000 -5.037) 5.929 8.931 ( 7.247 0.000 6.729) 9.890 9.034 ( -0.712 0.000 -3.921) 3.985 9.096 ( 2.950 0.000 -10.098) 10.520 9.594 ( -3.238 0.000 10.913) 11.383 9.676 ( -5.003 0.000 -5.392) 7.356 9.726 ( -5.506 0.000 -2.158) 5.914 9.819 ( -2.889 0.000 2.081) 3.560 9.953 ( -2.693 0.000 -4.861) 5.557 9.986 ( 0.882 0.000 -1.622) 1.846 10.105 ( -7.528 0.000 5.605) 9.385 10.487 ( 6.200 0.000 -14.526) 15.794 10.634 ( 5.211 0.000 4.246) 6.722 10.699 ( 9.554 0.000 -10.432) 14.145 10.906 ( -6.461 0.000 0.280) 6.467 10.994 ( -0.179 0.000 0.987) 1.003 11.063 ( -3.370 0.000 0.743) 3.451 11.266 ( 10.168 0.000 0.396) 10.176 11.631 ( -3.053 0.000 0.724) 3.138 11.644 ( -1.889 0.000 -0.445) 1.941 12.057 ( -10.166 0.000 6.883) 12.277 12.424 ( 8.938 0.000 -7.305) 11.543 12.502 ( -18.724 0.000 6.190) 19.720 12.897 ( 5.167 0.000 1.066) 5.275 12.968 ( 0.731 0.000 7.443) 7.479 13.101 ( 2.576 0.000 -5.621) 6.184 13.271 ( 0.428 0.000 1.589) 1.646 13.282 ( -1.696 0.000 -2.148) 2.737 15.019 ( 2.486 0.000 12.423) 12.670 15.094 ( -7.070 0.000 -14.359) 16.006 16.328 ( -5.975 0.000 -1.675) 6.205 16.366 ( -1.977 0.000 -0.377) 2.012 16.376 ( -1.926 0.000 8.877) 9.083 16.471 ( -0.731 0.000 0.472) 0.870 16.476 ( -0.304 0.000 -2.583) 2.601 16.576 ( -1.886 0.000 -10.194) 10.367 17.213 ( 7.507 0.000 9.185) 11.863 17.340 ( 9.689 0.000 -5.083) 10.942 18.475 ( -3.091 0.000 16.011) 16.307 18.657 ( -7.019 0.000 -16.161) 17.620 21.411 ( 1.140 0.000 -0.287) 1.175 21.437 ( 2.666 0.000 -0.944) 2.828 21.557 ( -0.330 0.000 2.153) 2.178 21.623 ( 1.666 0.000 -1.903) 2.529 21.714 ( 1.446 0.000 4.743) 4.958 21.741 ( -1.280 0.000 -3.922) 4.126 22.292 ( -7.403 0.000 1.400) 7.534 22.332 ( -7.064 0.000 -1.119) 7.152 22.576 ( 1.211 0.000 0.837) 1.472 22.621 ( 2.230 0.000 -1.190) 2.527 22.887 ( 6.155 0.000 5.861) 8.499 22.945 ( 3.999 0.000 -4.690) 6.163 ======================= Grid point 128 (59/112) ======================= q-point: ( 0.22 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 7.727 0.000 3.541) 8.499 0.924 ( -0.179 0.000 -3.835) 3.839 1.466 ( -17.155 0.000 -4.283) 17.681 1.806 ( 6.256 0.000 -9.618) 11.474 1.809 ( -2.290 0.000 15.322) 15.492 2.135 ( -17.160 0.000 6.699) 18.421 2.231 ( 1.149 0.000 9.230) 9.301 2.237 ( -0.105 0.000 -1.926) 1.928 2.553 ( -1.104 0.000 -5.635) 5.742 2.592 ( 2.168 0.000 6.736) 7.077 2.873 ( -9.514 0.000 -1.357) 9.611 2.912 ( -7.932 0.000 2.004) 8.181 3.007 ( -5.335 0.000 -5.507) 7.668 3.051 ( -0.335 0.000 1.979) 2.007 3.096 ( -10.355 0.000 -0.105) 10.355 3.225 ( -0.623 0.000 -3.552) 3.606 3.287 ( -2.662 0.000 -10.121) 10.465 3.345 ( -3.756 0.000 6.246) 7.288 3.365 ( -0.229 0.000 -7.495) 7.499 3.390 ( -3.470 0.000 -0.094) 3.471 3.501 ( -1.496 0.000 5.075) 5.291 3.561 ( -2.862 0.000 5.069) 5.821 3.807 ( 5.650 0.000 -12.835) 14.024 3.864 ( -1.340 0.000 -4.552) 4.745 3.972 ( 1.847 0.000 -0.536) 1.923 4.094 ( 9.394 0.000 11.696) 15.002 4.195 ( 6.036 0.000 6.371) 8.776 4.340 ( 6.203 0.000 1.290) 6.336 4.585 ( 3.786 0.000 -4.396) 5.801 4.633 ( 5.173 0.000 -4.486) 6.847 4.696 ( -2.922 0.000 4.467) 5.338 4.725 ( -1.293 0.000 0.728) 1.484 4.741 ( 6.685 0.000 -1.117) 6.778 4.908 ( 3.139 0.000 5.760) 6.560 5.017 ( 9.466 0.000 2.247) 9.729 5.070 ( 7.009 0.000 5.459) 8.884 5.158 ( 12.519 0.000 -1.233) 12.580 5.450 ( 16.667 0.000 3.492) 17.029 5.500 ( 2.259 0.000 -5.754) 6.181 5.607 ( 3.164 0.000 -3.340) 4.601 5.686 ( 2.244 0.000 -9.157) 9.428 5.808 ( 1.630 0.000 2.988) 3.403 5.877 ( -0.713 0.000 -1.162) 1.364 5.904 ( -3.600 0.000 -0.099) 3.602 6.086 ( -6.864 0.000 -9.467) 11.694 6.156 ( -3.191 0.000 5.640) 6.480 6.331 ( 2.278 0.000 2.756) 3.576 6.353 ( -1.094 0.000 4.560) 4.690 6.721 ( -4.181 0.000 0.748) 4.247 6.878 ( -0.337 0.000 -2.156) 2.182 6.903 ( -3.342 0.000 0.542) 3.385 6.976 ( -13.250 0.000 -2.533) 13.490 7.137 ( -10.396 0.000 5.466) 11.746 7.275 ( -4.411 0.000 -4.411) 6.239 7.448 ( -3.805 0.000 1.493) 4.087 7.544 ( 1.143 0.000 2.677) 2.910 7.551 ( 5.064 0.000 -4.627) 6.859 7.591 ( -5.038 0.000 9.456) 10.714 7.838 ( 6.151 0.000 -3.828) 7.245 7.927 ( 9.294 0.000 -10.556) 14.064 8.090 ( 7.027 0.000 1.341) 7.154 8.141 ( -4.007 0.000 -4.945) 6.365 8.255 ( 7.150 0.000 -9.517) 11.903 8.285 ( 3.040 0.000 -5.350) 6.153 8.327 ( 3.620 0.000 -18.894) 19.238 8.397 ( 3.750 0.000 6.286) 7.320 8.427 ( 9.096 0.000 7.420) 11.738 8.786 ( 8.775 0.000 16.685) 18.852 8.818 ( 2.669 0.000 2.592) 3.720 8.960 ( 0.116 0.000 -11.680) 11.681 9.008 ( -0.100 0.000 0.933) 0.939 9.169 ( 7.099 0.000 11.716) 13.699 9.493 ( -5.905 0.000 -8.130) 10.048 9.627 ( -3.282 0.000 -2.142) 3.919 9.712 ( -5.167 0.000 13.643) 14.589 9.741 ( -10.185 0.000 1.960) 10.372 9.914 ( -1.058 0.000 0.100) 1.062 9.940 ( -3.795 0.000 -0.647) 3.849 10.095 ( -1.503 0.000 0.926) 1.765 10.356 ( 3.833 0.000 -11.649) 12.264 10.681 ( -2.429 0.000 -0.096) 2.431 10.716 ( 12.432 0.000 -10.944) 16.563 10.812 ( -10.252 0.000 3.933) 10.981 11.019 ( 1.023 0.000 1.206) 1.581 11.127 ( 5.343 0.000 5.334) 7.550 11.395 ( 7.124 0.000 -0.337) 7.132 11.586 ( -5.356 0.000 -0.970) 5.443 11.612 ( -0.759 0.000 1.106) 1.341 12.001 ( -12.213 0.000 7.690) 14.432 12.374 ( -14.473 0.000 8.450) 16.759 12.437 ( 8.746 0.000 -8.437) 12.152 12.927 ( -0.108 0.000 -1.217) 1.222 13.068 ( 0.240 0.000 5.255) 5.260 13.102 ( 3.730 0.000 -1.119) 3.894 13.248 ( -1.422 0.000 0.745) 1.605 13.329 ( 1.264 0.000 4.117) 4.306 14.843 ( -5.262 0.000 -9.097) 10.509 15.205 ( -0.957 0.000 12.568) 12.604 16.205 ( -6.053 0.000 -2.869) 6.698 16.315 ( -2.990 0.000 -1.343) 3.278 16.385 ( -2.227 0.000 -6.313) 6.694 16.441 ( -1.566 0.000 2.865) 3.265 16.487 ( -0.254 0.000 -1.997) 2.014 16.487 ( -3.866 0.000 7.297) 8.258 17.401 ( 12.199 0.000 -8.913) 15.109 17.451 ( 11.744 0.000 6.015) 13.195 18.330 ( -9.322 0.000 -14.386) 17.142 18.622 ( -6.977 0.000 15.534) 17.029 21.441 ( 3.215 0.000 0.352) 3.234 21.461 ( 2.556 0.000 -0.826) 2.686 21.568 ( -0.888 0.000 0.047) 0.889 21.618 ( 2.717 0.000 -3.061) 4.093 21.680 ( -0.499 0.000 -2.588) 2.636 21.797 ( 0.932 0.000 4.367) 4.465 22.206 ( -7.395 0.000 2.101) 7.687 22.211 ( -7.205 0.000 -1.003) 7.274 22.593 ( 0.389 0.000 0.188) 0.432 22.626 ( 1.272 0.000 -1.415) 1.902 22.947 ( 5.051 0.000 -5.015) 7.118 23.049 ( 6.031 0.000 4.368) 7.446 ======================= Grid point 129 (60/112) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 16.244 0.000 6.442) 17.475 0.991 ( -0.949 0.000 16.319) 16.347 1.229 ( -11.436 0.000 -1.215) 11.500 1.760 ( 14.065 0.000 -15.185) 20.698 1.894 ( -12.546 0.000 7.916) 14.834 1.976 ( -14.031 0.000 9.562) 16.980 2.326 ( -7.442 0.000 7.627) 10.657 2.330 ( -1.434 0.000 10.277) 10.377 2.497 ( 2.621 0.000 0.148) 2.625 2.709 ( -2.247 0.000 8.420) 8.714 2.773 ( -1.569 0.000 1.322) 2.052 2.849 ( -0.720 0.000 -7.005) 7.042 2.879 ( -5.590 0.000 4.465) 7.154 2.945 ( -6.674 0.000 0.655) 6.706 3.066 ( 5.126 0.000 -6.926) 8.616 3.137 ( -2.261 0.000 -5.466) 5.915 3.208 ( 1.288 0.000 0.562) 1.405 3.281 ( -4.435 0.000 4.578) 6.374 3.386 ( 0.185 0.000 0.117) 0.219 3.398 ( -6.705 0.000 10.501) 12.459 3.536 ( 1.129 0.000 0.605) 1.281 3.605 ( -1.017 0.000 5.309) 5.405 3.765 ( 5.087 0.000 -4.148) 6.564 3.791 ( 2.712 0.000 -7.250) 7.741 4.006 ( 0.582 0.000 1.935) 2.021 4.300 ( 5.541 0.000 -1.760) 5.814 4.332 ( -1.109 0.000 -1.649) 1.987 4.350 ( 5.226 0.000 -3.420) 6.246 4.561 ( 5.013 0.000 -4.957) 7.050 4.625 ( -2.742 0.000 -0.567) 2.800 4.697 ( -3.698 0.000 2.625) 4.535 4.740 ( 4.449 0.000 -0.221) 4.454 4.800 ( 3.714 0.000 -1.797) 4.126 4.914 ( -5.334 0.000 -2.705) 5.981 5.216 ( 5.133 0.000 6.943) 8.635 5.279 ( 11.188 0.000 4.487) 12.054 5.321 ( 10.309 0.000 -1.496) 10.417 5.360 ( -0.376 0.000 -11.905) 11.911 5.533 ( 2.935 0.000 -7.452) 8.009 5.582 ( -2.077 0.000 -4.073) 4.572 5.703 ( 14.371 0.000 -6.939) 15.959 5.816 ( 2.356 0.000 -3.538) 4.250 5.901 ( -0.490 0.000 -7.778) 7.793 5.923 ( 0.639 0.000 6.442) 6.474 5.974 ( 4.505 0.000 7.129) 8.433 6.196 ( -2.460 0.000 6.861) 7.289 6.353 ( -3.764 0.000 2.599) 4.574 6.369 ( 0.050 0.000 0.157) 0.164 6.687 ( -5.336 0.000 7.145) 8.918 6.720 ( -15.778 0.000 -2.573) 15.987 6.847 ( -4.576 0.000 -0.896) 4.663 6.946 ( 9.360 0.000 1.650) 9.504 7.030 ( -9.960 0.000 -0.661) 9.982 7.123 ( -5.296 0.000 -8.001) 9.595 7.390 ( -6.779 0.000 0.702) 6.816 7.514 ( -1.401 0.000 -3.507) 3.776 7.550 ( -3.136 0.000 -4.132) 5.187 7.661 ( 1.586 0.000 3.757) 4.078 7.795 ( 2.737 0.000 -12.104) 12.409 7.969 ( 9.647 0.000 -3.955) 10.426 7.979 ( -5.073 0.000 -10.484) 11.646 8.060 ( 8.791 0.000 -10.546) 13.730 8.161 ( 4.396 0.000 -13.697) 14.385 8.236 ( 2.106 0.000 -6.056) 6.411 8.381 ( 9.414 0.000 6.534) 11.459 8.483 ( -2.738 0.000 1.757) 3.253 8.653 ( 8.254 0.000 4.625) 9.461 8.814 ( 1.790 0.000 -8.458) 8.645 8.890 ( -0.535 0.000 6.533) 6.555 9.076 ( 7.699 0.000 1.243) 7.798 9.106 ( 7.981 0.000 12.859) 15.135 9.344 ( -2.853 0.000 -3.903) 4.835 9.379 ( -1.359 0.000 9.908) 10.001 9.574 ( -2.711 0.000 -0.059) 2.712 9.663 ( -7.555 0.000 6.256) 9.809 9.822 ( -0.850 0.000 8.162) 8.206 9.873 ( -2.786 0.000 -2.392) 3.672 9.916 ( 1.552 0.000 0.960) 1.825 10.068 ( -3.837 0.000 -0.108) 3.838 10.307 ( 7.566 0.000 -7.319) 10.527 10.627 ( -2.098 0.000 -0.072) 2.099 10.733 ( -12.288 0.000 6.436) 13.872 10.744 ( 11.375 0.000 -8.596) 14.258 11.038 ( 0.841 0.000 -0.675) 1.078 11.271 ( 3.165 0.000 3.211) 4.508 11.426 ( 0.184 0.000 -2.244) 2.252 11.492 ( -5.316 0.000 0.666) 5.358 11.639 ( 2.308 0.000 -0.278) 2.324 11.953 ( -10.426 0.000 9.313) 13.980 12.329 ( -11.814 0.000 11.088) 16.203 12.436 ( 8.099 0.000 -8.747) 11.920 12.913 ( 1.084 0.000 -1.023) 1.491 13.098 ( -1.481 0.000 0.899) 1.733 13.128 ( 0.207 0.000 0.371) 0.425 13.270 ( -1.202 0.000 4.501) 4.658 13.375 ( -1.729 0.000 2.101) 2.721 14.740 ( 1.824 0.000 -1.464) 2.339 15.305 ( -7.183 0.000 9.547) 11.948 16.121 ( -1.285 0.000 -1.289) 1.820 16.257 ( -2.121 0.000 -1.995) 2.912 16.314 ( 2.122 0.000 -2.684) 3.421 16.436 ( -1.411 0.000 0.129) 1.416 16.475 ( 0.600 0.000 -0.445) 0.747 16.523 ( -7.438 0.000 8.407) 11.225 17.423 ( 10.911 0.000 -11.304) 15.711 17.631 ( 5.385 0.000 -2.955) 6.142 18.107 ( 0.616 0.000 -2.623) 2.694 18.694 ( -10.853 0.000 12.763) 16.754 21.482 ( 1.883 0.000 -0.638) 1.988 21.485 ( 2.342 0.000 -2.025) 3.095 21.559 ( 1.983 0.000 0.716) 2.108 21.608 ( 2.320 0.000 -3.685) 4.355 21.652 ( -1.580 0.000 -0.293) 1.607 21.847 ( -0.235 0.000 1.854) 1.869 22.143 ( -2.958 0.000 2.358) 3.783 22.175 ( -3.969 0.000 5.509) 6.790 22.594 ( -0.115 0.000 -0.202) 0.232 22.621 ( 1.039 0.000 -1.610) 1.916 22.935 ( 4.297 0.000 -6.297) 7.623 23.133 ( 0.744 0.000 0.094) 0.750 ======================= Grid point 130 (61/112) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -7.703 0.000 1.917) 7.937 1.161 ( 4.266 0.000 -1.047) 4.392 1.350 ( 7.520 0.000 20.895) 22.207 1.841 ( 22.324 0.000 -9.614) 24.306 1.847 ( -5.725 0.000 4.796) 7.468 1.998 ( -14.095 0.000 22.933) 26.919 2.214 ( -11.180 0.000 -1.001) 11.225 2.359 ( -5.662 0.000 8.130) 9.907 2.635 ( 5.416 0.000 2.935) 6.160 2.697 ( -4.441 0.000 0.241) 4.447 2.814 ( -1.717 0.000 1.996) 2.633 2.876 ( 1.676 0.000 7.632) 7.814 2.914 ( 4.736 0.000 2.496) 5.353 2.950 ( -2.173 0.000 6.264) 6.630 3.026 ( 5.000 0.000 -7.421) 8.948 3.105 ( 3.087 0.000 -1.959) 3.656 3.274 ( 3.131 0.000 3.954) 5.043 3.329 ( -1.049 0.000 4.555) 4.674 3.402 ( -3.212 0.000 6.386) 7.148 3.419 ( -8.053 0.000 7.761) 11.185 3.555 ( 6.982 0.000 -5.354) 8.799 3.675 ( -0.162 0.000 3.022) 3.027 3.778 ( 5.564 0.000 1.803) 5.849 3.812 ( 2.230 0.000 2.020) 3.009 4.011 ( -2.441 0.000 -1.606) 2.922 4.187 ( -5.201 0.000 -8.750) 10.178 4.192 ( -5.086 0.000 -7.489) 9.053 4.317 ( 1.664 0.000 -7.705) 7.883 4.520 ( -6.240 0.000 -5.708) 8.457 4.638 ( 6.733 0.000 1.011) 6.808 4.690 ( -1.598 0.000 2.123) 2.657 4.725 ( -2.617 0.000 -10.766) 11.080 4.797 ( -5.053 0.000 -2.843) 5.798 4.822 ( 6.905 0.000 -0.429) 6.918 5.076 ( -7.450 0.000 -7.333) 10.454 5.331 ( -1.651 0.000 -3.548) 3.914 5.387 ( -2.088 0.000 -11.874) 12.056 5.420 ( 7.120 0.000 3.787) 8.064 5.484 ( 3.655 0.000 4.759) 6.001 5.528 ( -3.536 0.000 -2.807) 4.515 5.786 ( 10.955 0.000 -8.012) 13.573 5.808 ( 6.215 0.000 -1.898) 6.498 5.878 ( 8.061 0.000 -5.890) 9.984 6.076 ( 7.101 0.000 3.937) 8.120 6.077 ( -1.816 0.000 5.781) 6.059 6.229 ( -1.310 0.000 -4.936) 5.107 6.366 ( -3.485 0.000 8.592) 9.272 6.367 ( -0.188 0.000 3.105) 3.111 6.546 ( -7.440 0.000 3.647) 8.286 6.773 ( 0.373 0.000 -5.956) 5.968 6.803 ( 3.672 0.000 6.900) 7.816 6.878 ( -8.768 0.000 0.994) 8.825 6.945 ( -6.359 0.000 -3.414) 7.217 7.112 ( 6.748 0.000 3.920) 7.804 7.284 ( -9.528 0.000 -0.147) 9.529 7.356 ( -3.964 0.000 -12.598) 13.207 7.445 ( -0.037 0.000 -4.543) 4.543 7.615 ( -1.401 0.000 -11.698) 11.781 7.747 ( 2.850 0.000 1.414) 3.182 7.753 ( -4.669 0.000 -10.892) 11.851 7.962 ( 5.737 0.000 -12.086) 13.378 8.050 ( 2.889 0.000 -10.525) 10.915 8.123 ( 11.380 0.000 -3.775) 11.990 8.220 ( -3.355 0.000 -1.068) 3.521 8.416 ( -1.335 0.000 1.242) 1.824 8.526 ( -3.019 0.000 5.476) 6.253 8.782 ( 1.674 0.000 -1.948) 2.569 8.792 ( 7.388 0.000 0.702) 7.421 9.010 ( 3.619 0.000 8.634) 9.362 9.215 ( 2.641 0.000 6.930) 7.416 9.327 ( 4.770 0.000 0.382) 4.785 9.342 ( 3.618 0.000 7.851) 8.644 9.395 ( -6.898 0.000 4.549) 8.262 9.524 ( -3.531 0.000 -0.985) 3.666 9.734 ( 1.541 0.000 7.628) 7.782 9.791 ( 1.393 0.000 -4.875) 5.070 9.811 ( -10.797 0.000 -2.486) 11.079 9.984 ( -0.325 0.000 2.984) 3.002 10.023 ( 1.162 0.000 1.913) 2.238 10.343 ( 10.237 0.000 -6.375) 12.060 10.626 ( -10.053 0.000 5.018) 11.236 10.714 ( 3.739 0.000 7.105) 8.029 10.801 ( 11.168 0.000 -5.846) 12.605 11.024 ( 0.236 0.000 -2.298) 2.310 11.226 ( -6.681 0.000 -2.144) 7.017 11.354 ( -2.657 0.000 -5.227) 5.864 11.532 ( 2.850 0.000 4.402) 5.244 11.637 ( -1.894 0.000 0.037) 1.895 11.981 ( -5.261 0.000 9.803) 11.126 12.347 ( -9.835 0.000 13.657) 16.829 12.421 ( 7.502 0.000 -9.322) 11.965 12.905 ( 0.033 0.000 -2.881) 2.881 13.076 ( -2.113 0.000 0.167) 2.119 13.121 ( -0.110 0.000 -1.050) 1.056 13.310 ( -2.089 0.000 4.234) 4.722 13.357 ( -1.379 0.000 0.339) 1.420 14.860 ( 9.913 0.000 6.379) 11.788 15.254 ( -12.943 0.000 3.502) 13.408 16.135 ( 2.118 0.000 1.595) 2.651 16.228 ( 1.030 0.000 -1.066) 1.482 16.355 ( 5.483 0.000 -0.077) 5.483 16.407 ( -3.386 0.000 0.366) 3.406 16.493 ( 2.382 0.000 0.737) 2.494 16.508 ( -7.081 0.000 4.624) 8.457 17.398 ( 7.841 0.000 -10.958) 13.474 17.489 ( -6.144 0.000 -10.539) 12.199 18.310 ( 14.791 0.000 9.712) 17.694 18.665 ( -13.781 0.000 7.937) 15.904 21.460 ( 0.907 0.000 -2.912) 3.050 21.488 ( 1.118 0.000 -1.959) 2.255 21.589 ( 1.377 0.000 -2.138) 2.543 21.596 ( -2.809 0.000 0.646) 2.883 21.662 ( 4.494 0.000 1.912) 4.884 21.832 ( -2.683 0.000 -0.958) 2.849 22.203 ( 1.349 0.000 7.450) 7.571 22.248 ( -0.949 0.000 9.670) 9.717 22.587 ( -0.469 0.000 -0.190) 0.506 22.612 ( 1.036 0.000 -1.736) 2.022 22.894 ( 3.864 0.000 -7.798) 8.702 23.061 ( -4.599 0.000 -6.348) 7.839 ======================= Grid point 131 (62/112) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -5.974 0.000 1.073) 6.070 1.119 ( 0.405 0.000 -4.569) 4.587 1.658 ( -23.673 0.000 -2.441) 23.799 1.757 ( 8.525 0.000 21.137) 22.792 2.063 ( 22.684 0.000 -5.878) 23.433 2.149 ( 0.923 0.000 -0.066) 0.926 2.186 ( -4.908 0.000 17.392) 18.071 2.479 ( 1.148 0.000 13.397) 13.446 2.636 ( -10.590 0.000 -9.723) 14.377 2.680 ( 2.496 0.000 0.508) 2.547 2.746 ( -1.537 0.000 0.322) 1.570 2.928 ( -4.159 0.000 3.249) 5.277 2.988 ( 2.595 0.000 1.735) 3.122 3.027 ( 4.471 0.000 -1.973) 4.887 3.049 ( 3.597 0.000 6.678) 7.585 3.124 ( 4.726 0.000 -2.763) 5.474 3.320 ( -4.530 0.000 2.234) 5.051 3.341 ( -3.144 0.000 1.925) 3.687 3.449 ( 1.364 0.000 4.257) 4.470 3.459 ( -1.245 0.000 4.662) 4.826 3.604 ( 7.620 0.000 -2.552) 8.036 3.659 ( 1.280 0.000 -4.384) 4.567 3.839 ( -0.051 0.000 -0.281) 0.286 3.888 ( -4.885 0.000 -0.631) 4.925 4.028 ( 8.353 0.000 13.498) 15.874 4.051 ( -4.461 0.000 -1.675) 4.765 4.115 ( 1.229 0.000 -0.271) 1.259 4.258 ( 3.404 0.000 -7.186) 7.952 4.343 ( -4.360 0.000 -5.427) 6.961 4.540 ( -1.254 0.000 -11.205) 11.275 4.629 ( -7.514 0.000 -2.757) 8.004 4.694 ( -1.858 0.000 0.932) 2.078 4.738 ( 3.464 0.000 0.327) 3.480 4.898 ( 9.040 0.000 -4.859) 10.263 4.987 ( -1.265 0.000 2.385) 2.700 5.185 ( -0.372 0.000 -13.719) 13.724 5.242 ( -9.771 0.000 2.782) 10.159 5.440 ( -7.733 0.000 3.277) 8.399 5.506 ( 0.604 0.000 -4.014) 4.059 5.526 ( -2.666 0.000 5.106) 5.760 5.755 ( -3.376 0.000 -5.692) 6.618 5.857 ( -0.171 0.000 -6.655) 6.657 5.940 ( 10.150 0.000 2.800) 10.529 5.999 ( -3.293 0.000 -10.206) 10.724 6.126 ( -0.082 0.000 3.451) 3.452 6.237 ( 7.240 0.000 -3.224) 7.926 6.385 ( -1.788 0.000 0.405) 1.833 6.413 ( 3.840 0.000 -0.719) 3.907 6.650 ( 0.921 0.000 4.388) 4.483 6.730 ( -3.026 0.000 -4.194) 5.171 6.745 ( 5.756 0.000 6.808) 8.915 6.930 ( -0.716 0.000 6.347) 6.388 6.967 ( -1.282 0.000 -0.678) 1.450 7.069 ( -0.813 0.000 -7.082) 7.129 7.169 ( -6.205 0.000 2.064) 6.540 7.308 ( 1.291 0.000 6.041) 6.177 7.397 ( 2.690 0.000 -5.217) 5.870 7.473 ( 0.665 0.000 -6.678) 6.711 7.612 ( -2.815 0.000 -2.040) 3.476 7.756 ( -0.417 0.000 -7.143) 7.155 7.859 ( -1.355 0.000 -4.506) 4.705 7.939 ( 0.118 0.000 -9.257) 9.258 8.079 ( -8.279 0.000 -1.792) 8.470 8.228 ( 9.793 0.000 -2.309) 10.062 8.490 ( -5.628 0.000 0.179) 5.631 8.531 ( 7.010 0.000 4.533) 8.348 8.762 ( -3.978 0.000 0.260) 3.986 8.827 ( 0.122 0.000 -1.955) 1.958 9.199 ( 2.696 0.000 9.995) 10.353 9.282 ( -16.693 0.000 -0.908) 16.718 9.333 ( 0.105 0.000 8.902) 8.903 9.360 ( -2.822 0.000 -4.208) 5.066 9.461 ( -12.611 0.000 2.111) 12.786 9.468 ( 8.618 0.000 4.590) 9.764 9.639 ( 2.757 0.000 -0.839) 2.881 9.662 ( -4.550 0.000 -4.366) 6.306 9.999 ( 16.827 0.000 3.905) 17.274 10.017 ( -3.014 0.000 5.526) 6.295 10.069 ( 6.368 0.000 -4.925) 8.051 10.395 ( 12.758 0.000 -9.553) 15.938 10.548 ( -11.143 0.000 5.800) 12.563 10.880 ( 9.339 0.000 -4.601) 10.411 10.905 ( 6.476 0.000 6.310) 9.042 10.982 ( 0.660 0.000 -4.870) 4.914 11.130 ( -4.739 0.000 1.856) 5.089 11.244 ( -1.768 0.000 -4.680) 5.003 11.606 ( -3.060 0.000 0.838) 3.173 11.622 ( 2.917 0.000 2.527) 3.859 12.043 ( -4.373 0.000 8.529) 9.585 12.386 ( 6.244 0.000 -10.002) 11.791 12.437 ( -6.933 0.000 17.059) 18.414 12.834 ( 0.944 0.000 -7.243) 7.305 13.048 ( -3.659 0.000 1.436) 3.931 13.103 ( -0.362 0.000 -0.978) 1.043 13.328 ( -1.451 0.000 2.460) 2.856 13.376 ( 2.016 0.000 1.319) 2.409 15.073 ( -14.163 0.000 -1.540) 14.246 15.147 ( 15.466 0.000 9.173) 17.982 16.189 ( 1.726 0.000 1.394) 2.219 16.235 ( 1.525 0.000 -1.529) 2.160 16.351 ( -5.840 0.000 0.735) 5.886 16.417 ( 3.603 0.000 -1.163) 3.786 16.471 ( -3.584 0.000 1.175) 3.772 16.590 ( 9.143 0.000 2.443) 9.464 17.266 ( -9.104 0.000 -6.288) 11.065 17.355 ( 4.217 0.000 -6.953) 8.132 18.536 ( -14.840 0.000 2.158) 14.996 18.658 ( 16.431 0.000 8.322) 18.418 21.446 ( 1.209 0.000 -1.315) 1.787 21.457 ( -0.191 0.000 -2.995) 3.001 21.553 ( -3.604 0.000 0.493) 3.637 21.601 ( 1.696 0.000 0.488) 1.764 21.756 ( 3.924 0.000 2.226) 4.512 21.759 ( -4.166 0.000 -2.416) 4.816 22.345 ( 1.830 0.000 8.826) 9.013 22.376 ( -0.904 0.000 9.067) 9.112 22.580 ( -0.505 0.000 0.282) 0.578 22.600 ( 0.848 0.000 -2.223) 2.380 22.854 ( 5.075 0.000 -5.434) 7.435 22.862 ( -6.947 0.000 -10.077) 12.240 ======================= Grid point 132 (63/112) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -13.584 0.000 6.754) 15.171 1.129 ( 4.363 0.000 0.202) 4.367 1.278 ( -25.192 0.000 0.785) 25.204 1.949 ( -32.625 0.000 3.688) 32.833 2.025 ( 3.930 0.000 -19.994) 20.377 2.180 ( 14.937 0.000 1.432) 15.005 2.373 ( -0.263 0.000 14.227) 14.229 2.439 ( 13.374 0.000 -1.411) 13.448 2.662 ( 2.245 0.000 5.141) 5.610 2.690 ( 4.420 0.000 -8.989) 10.017 2.774 ( 5.936 0.000 -2.226) 6.339 2.893 ( -5.925 0.000 2.246) 6.336 3.061 ( 8.638 0.000 -3.383) 9.277 3.081 ( 4.096 0.000 0.538) 4.132 3.164 ( 6.254 0.000 -6.383) 8.936 3.214 ( 0.833 0.000 9.411) 9.448 3.274 ( -0.469 0.000 0.838) 0.961 3.309 ( -1.976 0.000 -1.188) 2.305 3.478 ( 2.658 0.000 -5.705) 6.294 3.490 ( -2.581 0.000 5.409) 5.994 3.629 ( 2.024 0.000 -1.489) 2.512 3.694 ( 6.597 0.000 4.287) 7.867 3.837 ( -0.810 0.000 1.210) 1.456 3.866 ( -2.537 0.000 1.050) 2.746 4.038 ( -0.323 0.000 3.135) 3.152 4.077 ( -4.484 0.000 -18.043) 18.592 4.117 ( -2.681 0.000 1.785) 3.221 4.174 ( 5.365 0.000 1.203) 5.498 4.462 ( 5.523 0.000 12.640) 13.794 4.470 ( 0.364 0.000 0.552) 0.662 4.585 ( -0.532 0.000 4.814) 4.843 4.641 ( -3.689 0.000 -3.098) 4.818 4.764 ( 0.533 0.000 -0.522) 0.746 4.940 ( 8.243 0.000 -5.933) 10.156 5.042 ( -1.013 0.000 -5.582) 5.673 5.082 ( 0.778 0.000 10.790) 10.818 5.173 ( -10.117 0.000 6.958) 12.279 5.355 ( -10.502 0.000 -7.370) 12.830 5.374 ( -13.349 0.000 6.734) 14.951 5.457 ( -15.430 0.000 3.403) 15.801 5.656 ( 2.300 0.000 -4.143) 4.739 5.713 ( -3.398 0.000 -9.462) 10.054 5.895 ( 6.254 0.000 -6.819) 9.253 6.104 ( 3.871 0.000 3.261) 5.061 6.164 ( 4.082 0.000 0.628) 4.130 6.242 ( -1.765 0.000 -0.310) 1.792 6.416 ( 7.438 0.000 -2.681) 7.906 6.455 ( 4.844 0.000 -0.041) 4.844 6.683 ( -0.225 0.000 3.982) 3.989 6.691 ( 2.159 0.000 -1.180) 2.461 6.780 ( -1.926 0.000 -11.786) 11.942 6.998 ( 3.530 0.000 12.289) 12.786 7.006 ( 1.931 0.000 2.483) 3.146 7.028 ( -0.759 0.000 -0.810) 1.111 7.251 ( 2.202 0.000 9.969) 10.210 7.385 ( 2.042 0.000 -1.462) 2.511 7.402 ( -1.056 0.000 7.051) 7.129 7.476 ( 4.639 0.000 1.623) 4.915 7.546 ( -1.580 0.000 -15.702) 15.782 7.574 ( -8.138 0.000 5.569) 9.861 7.815 ( 0.240 0.000 -8.621) 8.625 7.815 ( -7.828 0.000 4.541) 9.049 7.989 ( -3.970 0.000 -0.211) 3.976 8.296 ( 0.248 0.000 -1.735) 1.752 8.439 ( 2.168 0.000 -0.103) 2.171 8.574 ( -13.529 0.000 -1.084) 13.573 8.731 ( 2.721 0.000 2.318) 3.575 8.778 ( -2.110 0.000 -2.891) 3.579 8.944 ( -18.650 0.000 -1.533) 18.713 9.306 ( -4.141 0.000 -6.761) 7.928 9.346 ( 2.625 0.000 -0.522) 2.676 9.348 ( 1.070 0.000 8.736) 8.801 9.410 ( -4.366 0.000 3.052) 5.327 9.549 ( -1.263 0.000 -2.344) 2.663 9.650 ( 7.707 0.000 3.514) 8.470 9.727 ( 4.840 0.000 1.971) 5.226 10.044 ( 4.615 0.000 -3.319) 5.684 10.067 ( -1.975 0.000 0.908) 2.174 10.231 ( 11.179 0.000 -0.738) 11.203 10.425 ( 14.044 0.000 -14.019) 19.844 10.471 ( -10.589 0.000 4.519) 11.513 10.814 ( -4.603 0.000 -8.352) 9.536 10.985 ( 10.504 0.000 -6.820) 12.524 10.988 ( 0.071 0.000 1.271) 1.273 11.192 ( 1.389 0.000 7.825) 7.947 11.229 ( 1.400 0.000 2.419) 2.795 11.586 ( 0.035 0.000 -0.381) 0.382 11.675 ( 1.704 0.000 0.507) 1.778 12.089 ( -4.790 0.000 7.609) 8.991 12.325 ( 4.822 0.000 -9.522) 10.674 12.629 ( -1.187 0.000 18.765) 18.802 12.765 ( 4.854 0.000 -8.424) 9.723 13.023 ( -5.182 0.000 5.503) 7.559 13.093 ( -0.093 0.000 0.238) 0.255 13.345 ( 0.644 0.000 0.940) 1.139 13.418 ( 2.426 0.000 -0.416) 2.462 14.857 ( -11.438 0.000 -3.583) 11.986 15.495 ( 19.105 0.000 5.795) 19.964 16.197 ( -1.020 0.000 -0.983) 1.416 16.204 ( -0.167 0.000 -5.217) 5.220 16.282 ( -4.718 0.000 0.260) 4.725 16.430 ( 1.437 0.000 -1.314) 1.947 16.447 ( -1.640 0.000 0.487) 1.711 16.779 ( 14.145 0.000 0.363) 14.150 17.080 ( -12.391 0.000 0.781) 12.415 17.346 ( 1.336 0.000 0.854) 1.586 18.324 ( -14.079 0.000 -4.049) 14.649 18.951 ( 14.846 0.000 2.507) 15.056 21.419 ( -0.766 0.000 -1.202) 1.425 21.453 ( 0.772 0.000 -0.021) 0.772 21.518 ( -2.877 0.000 1.033) 3.057 21.613 ( -3.371 0.000 0.017) 3.371 21.692 ( 1.829 0.000 -2.009) 2.717 21.820 ( 1.569 0.000 1.721) 2.329 22.399 ( -1.729 0.000 -4.218) 4.558 22.451 ( 0.154 0.000 2.802) 2.807 22.580 ( -0.164 0.000 -0.648) 0.669 22.580 ( 0.145 0.000 -1.680) 1.687 22.652 ( -7.271 0.000 -1.974) 7.534 22.935 ( 6.405 0.000 5.543) 8.470 ======================= Grid point 133 (64/112) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -22.687 0.000 2.034) 22.778 0.971 ( -25.932 0.000 14.956) 29.936 1.303 ( 8.337 0.000 1.986) 8.570 1.554 ( -35.764 0.000 24.131) 43.144 1.799 ( 10.277 0.000 -23.601) 25.741 2.436 ( 14.535 0.000 0.753) 14.554 2.545 ( 1.912 0.000 0.410) 1.956 2.548 ( 3.790 0.000 -8.118) 8.959 2.619 ( 2.965 0.000 0.907) 3.101 2.716 ( 5.233 0.000 -3.408) 6.245 2.820 ( -4.142 0.000 -4.929) 6.438 2.864 ( 9.409 0.000 1.031) 9.465 3.061 ( 2.954 0.000 -13.152) 13.479 3.061 ( 8.518 0.000 -13.122) 15.645 3.154 ( 10.207 0.000 -4.319) 11.083 3.215 ( -4.394 0.000 2.974) 5.306 3.275 ( 2.402 0.000 -2.913) 3.776 3.371 ( 6.692 0.000 -8.880) 11.119 3.469 ( 3.388 0.000 3.611) 4.951 3.541 ( -0.002 0.000 5.242) 5.242 3.659 ( 1.762 0.000 0.579) 1.854 3.746 ( -4.109 0.000 -9.893) 10.712 3.806 ( -4.519 0.000 -1.702) 4.829 3.818 ( 5.171 0.000 -10.303) 11.528 3.939 ( -0.772 0.000 12.297) 12.321 4.098 ( 1.726 0.000 4.254) 4.591 4.162 ( -0.849 0.000 7.096) 7.146 4.277 ( 4.351 0.000 2.573) 5.054 4.494 ( -4.075 0.000 -3.695) 5.500 4.519 ( -2.423 0.000 8.473) 8.813 4.611 ( -5.919 0.000 1.083) 6.017 4.650 ( -0.586 0.000 4.872) 4.907 4.773 ( 1.642 0.000 0.383) 1.686 4.915 ( -11.072 0.000 -0.279) 11.076 5.019 ( 2.461 0.000 4.051) 4.740 5.095 ( -15.817 0.000 5.722) 16.820 5.143 ( -4.142 0.000 1.701) 4.477 5.236 ( -20.141 0.000 8.676) 21.930 5.269 ( -7.571 0.000 1.908) 7.808 5.333 ( 5.082 0.000 6.765) 8.461 5.545 ( -0.789 0.000 -8.433) 8.470 5.661 ( 3.797 0.000 -2.547) 4.572 5.973 ( 11.009 0.000 -2.005) 11.190 6.090 ( 0.120 0.000 -2.882) 2.885 6.164 ( -5.164 0.000 -5.275) 7.382 6.318 ( 6.419 0.000 3.592) 7.356 6.508 ( 10.786 0.000 -2.017) 10.973 6.550 ( 0.299 0.000 -13.025) 13.028 6.593 ( 2.608 0.000 12.738) 13.002 6.739 ( -1.001 0.000 5.064) 5.162 6.830 ( 8.292 0.000 3.467) 8.988 6.964 ( -5.005 0.000 -6.484) 8.191 7.071 ( 3.102 0.000 5.394) 6.222 7.153 ( 2.121 0.000 5.128) 5.549 7.353 ( -6.009 0.000 6.957) 9.193 7.394 ( -2.936 0.000 7.794) 8.329 7.478 ( -4.258 0.000 9.804) 10.689 7.493 ( 12.430 0.000 -5.863) 13.743 7.580 ( -1.574 0.000 9.816) 9.941 7.587 ( -1.926 0.000 7.998) 8.226 7.722 ( 0.929 0.000 -6.295) 6.363 7.766 ( -8.337 0.000 6.899) 10.822 7.954 ( -1.365 0.000 0.935) 1.654 8.207 ( -5.628 0.000 -1.719) 5.885 8.291 ( -15.927 0.000 -3.246) 16.254 8.524 ( 4.172 0.000 2.396) 4.811 8.680 ( -5.667 0.000 -4.821) 7.440 8.687 ( -11.901 0.000 0.904) 11.935 8.876 ( 4.260 0.000 -1.395) 4.482 9.185 ( 1.511 0.000 -6.901) 7.065 9.264 ( -7.411 0.000 -8.653) 11.393 9.388 ( 4.054 0.000 -0.840) 4.140 9.451 ( -3.027 0.000 5.342) 6.140 9.569 ( 2.673 0.000 1.061) 2.876 9.772 ( 3.915 0.000 2.327) 4.555 9.808 ( 3.837 0.000 1.311) 4.055 10.026 ( 0.267 0.000 -3.866) 3.875 10.087 ( 1.904 0.000 2.144) 2.868 10.273 ( 3.501 0.000 -10.439) 11.010 10.319 ( 4.345 0.000 -14.063) 14.719 10.388 ( -9.236 0.000 3.943) 10.042 10.707 ( 2.814 0.000 -2.645) 3.862 11.000 ( -0.690 0.000 1.444) 1.601 11.033 ( 7.624 0.000 -4.587) 8.897 11.271 ( -1.977 0.000 1.252) 2.340 11.288 ( -1.650 0.000 5.114) 5.374 11.608 ( 5.330 0.000 -1.757) 5.612 11.682 ( 0.613 0.000 -1.397) 1.525 12.117 ( -5.402 0.000 6.725) 8.626 12.284 ( 5.970 0.000 -6.589) 8.891 12.739 ( 7.643 0.000 -8.234) 11.234 12.779 ( -3.018 0.000 4.570) 5.476 13.106 ( 0.263 0.000 1.326) 1.351 13.154 ( 5.648 0.000 8.152) 9.917 13.379 ( 1.858 0.000 3.153) 3.660 13.419 ( 1.409 0.000 -3.501) 3.773 14.689 ( -6.218 0.000 -2.006) 6.533 15.753 ( 16.568 0.000 -8.414) 18.582 16.112 ( -1.661 0.000 -2.538) 3.034 16.180 ( -0.378 0.000 3.088) 3.111 16.236 ( -2.527 0.000 1.327) 2.854 16.433 ( 0.555 0.000 -0.105) 0.565 16.437 ( -1.050 0.000 0.696) 1.259 16.940 ( 13.823 0.000 -6.738) 15.378 16.957 ( -14.445 0.000 8.432) 16.726 17.417 ( -0.988 0.000 7.180) 7.248 18.067 ( -10.705 0.000 -5.532) 12.050 19.112 ( 10.624 0.000 -4.929) 11.712 21.408 ( -0.958 0.000 1.129) 1.480 21.455 ( -0.820 0.000 -0.029) 0.820 21.507 ( -1.520 0.000 1.745) 2.314 21.541 ( -3.639 0.000 -1.007) 3.776 21.726 ( 4.377 0.000 -1.899) 4.771 21.847 ( -0.316 0.000 1.022) 1.070 22.273 ( -1.501 0.000 -7.018) 7.177 22.392 ( 0.055 0.000 -7.016) 7.016 22.542 ( -2.955 0.000 2.362) 3.783 22.577 ( -0.597 0.000 0.688) 0.911 22.663 ( -3.259 0.000 7.177) 7.882 23.105 ( 4.273 0.000 4.841) 6.457 ======================= Grid point 134 (65/112) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -9.889 0.000 9.684) 13.841 0.964 ( -13.778 0.000 20.306) 24.539 1.304 ( 2.447 0.000 -9.256) 9.574 1.678 ( -19.687 0.000 45.119) 49.227 1.808 ( 18.169 0.000 -5.672) 19.033 2.371 ( 0.769 0.000 -15.741) 15.760 2.395 ( -9.065 0.000 -9.484) 13.119 2.524 ( -4.848 0.000 -11.960) 12.905 2.639 ( 2.319 0.000 -13.415) 13.614 2.644 ( 9.161 0.000 -7.285) 11.705 2.768 ( 2.118 0.000 7.411) 7.707 2.999 ( 5.321 0.000 -11.736) 12.886 3.039 ( 8.409 0.000 3.164) 8.985 3.044 ( 3.001 0.000 3.541) 4.641 3.193 ( -1.418 0.000 0.485) 1.498 3.223 ( 9.225 0.000 -6.783) 11.450 3.338 ( 9.587 0.000 -0.735) 9.615 3.353 ( 6.996 0.000 -4.910) 8.547 3.459 ( -5.193 0.000 -3.796) 6.433 3.567 ( 1.480 0.000 -4.772) 4.996 3.677 ( 3.424 0.000 6.248) 7.125 3.683 ( 1.163 0.000 1.350) 1.782 3.716 ( -3.887 0.000 -3.208) 5.041 3.773 ( 3.027 0.000 -6.455) 7.130 4.013 ( 0.280 0.000 1.280) 1.311 4.112 ( -6.561 0.000 -1.983) 6.854 4.273 ( 0.817 0.000 8.788) 8.825 4.320 ( -0.664 0.000 -1.849) 1.964 4.443 ( 1.034 0.000 -2.236) 2.463 4.511 ( -5.346 0.000 1.013) 5.441 4.609 ( -10.125 0.000 -0.168) 10.127 4.609 ( -1.793 0.000 8.199) 8.392 4.777 ( -1.538 0.000 0.151) 1.545 4.825 ( -3.924 0.000 7.423) 8.397 4.959 ( -11.123 0.000 -5.564) 12.437 5.007 ( -7.788 0.000 0.940) 7.844 5.086 ( 2.734 0.000 -0.129) 2.737 5.133 ( -14.254 0.000 14.311) 20.198 5.374 ( 4.469 0.000 8.707) 9.787 5.498 ( -4.145 0.000 8.896) 9.814 5.515 ( 4.669 0.000 -1.923) 5.050 5.669 ( 4.345 0.000 -3.805) 5.776 5.986 ( -1.180 0.000 -5.510) 5.635 6.063 ( 3.437 0.000 -4.695) 5.819 6.094 ( 6.729 0.000 -2.348) 7.127 6.318 ( -3.513 0.000 -5.843) 6.818 6.446 ( 4.793 0.000 -5.490) 7.288 6.566 ( -0.181 0.000 -9.817) 9.819 6.769 ( 2.035 0.000 -0.075) 2.037 6.770 ( -0.726 0.000 4.479) 4.537 6.846 ( 1.991 0.000 3.719) 4.219 7.015 ( 8.667 0.000 5.673) 10.358 7.184 ( -2.204 0.000 4.952) 5.420 7.310 ( 1.487 0.000 10.374) 10.480 7.407 ( -3.155 0.000 8.883) 9.427 7.484 ( 3.027 0.000 10.452) 10.881 7.525 ( 0.389 0.000 -1.973) 2.011 7.556 ( -9.104 0.000 4.412) 10.117 7.558 ( -4.379 0.000 4.268) 6.115 7.673 ( 2.793 0.000 8.033) 8.505 7.778 ( 4.337 0.000 1.799) 4.696 7.827 ( -5.347 0.000 13.522) 14.541 7.964 ( -0.821 0.000 1.205) 1.458 8.147 ( -1.459 0.000 0.205) 1.473 8.173 ( 1.680 0.000 0.976) 1.943 8.495 ( -5.900 0.000 -5.174) 7.847 8.517 ( -10.533 0.000 -2.420) 10.807 8.586 ( -3.848 0.000 5.401) 6.632 8.859 ( 1.014 0.000 -5.358) 5.454 9.047 ( -4.816 0.000 -7.543) 8.950 9.174 ( 6.284 0.000 -4.860) 7.944 9.358 ( -7.403 0.000 -6.084) 9.583 9.430 ( 2.759 0.000 0.710) 2.848 9.639 ( 5.013 0.000 1.014) 5.114 9.818 ( -1.451 0.000 3.092) 3.415 9.866 ( 2.590 0.000 0.090) 2.591 9.966 ( -2.615 0.000 -1.718) 3.129 10.151 ( -0.524 0.000 4.045) 4.079 10.165 ( 1.352 0.000 -4.711) 4.901 10.330 ( 15.480 0.000 -8.529) 17.674 10.355 ( -1.484 0.000 3.912) 4.184 10.755 ( 5.792 0.000 -1.021) 5.882 11.002 ( -1.524 0.000 0.681) 1.670 11.072 ( 6.809 0.000 -3.850) 7.822 11.180 ( -6.975 0.000 -4.462) 8.280 11.270 ( -6.675 0.000 0.973) 6.745 11.657 ( 3.728 0.000 -1.440) 3.997 11.669 ( 0.835 0.000 -1.669) 1.866 12.120 ( -6.521 0.000 5.740) 8.688 12.316 ( 8.120 0.000 -3.633) 8.896 12.749 ( 8.933 0.000 -6.936) 11.310 12.776 ( -3.493 0.000 3.943) 5.268 13.089 ( -14.137 0.000 -6.321) 15.486 13.129 ( -0.044 0.000 1.495) 1.496 13.366 ( 0.460 0.000 -5.915) 5.933 13.414 ( -0.830 0.000 -3.064) 3.174 14.683 ( 1.443 0.000 5.474) 5.661 15.673 ( 2.497 0.000 -18.876) 19.040 16.207 ( 10.489 0.000 5.095) 11.661 16.221 ( -1.397 0.000 4.113) 4.343 16.331 ( 7.031 0.000 3.808) 7.995 16.439 ( -0.181 0.000 1.162) 1.176 16.444 ( 0.795 0.000 0.452) 0.915 16.920 ( -12.063 0.000 13.600) 18.179 16.935 ( 6.370 0.000 -14.545) 15.879 17.386 ( -8.746 0.000 -0.561) 8.764 18.056 ( 2.809 0.000 11.288) 11.633 19.103 ( 4.559 0.000 -11.594) 12.458 21.412 ( -0.801 0.000 0.907) 1.210 21.433 ( -1.356 0.000 -0.520) 1.452 21.516 ( -1.064 0.000 2.023) 2.286 21.520 ( -0.031 0.000 2.125) 2.126 21.729 ( 1.962 0.000 -4.178) 4.616 21.841 ( -1.256 0.000 -0.293) 1.290 22.262 ( 4.435 0.000 1.809) 4.790 22.361 ( 4.467 0.000 -2.134) 4.950 22.538 ( -3.227 0.000 2.928) 4.357 22.580 ( 0.106 0.000 0.353) 0.369 22.707 ( -3.510 0.000 6.240) 7.159 23.106 ( -3.627 0.000 -4.256) 5.592 ======================= Grid point 135 (66/112) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 6.870 20.388 6.204) 22.391 1.118 ( -2.773 16.715 -10.831) 20.109 1.456 ( -3.891 6.264 21.036) 22.291 1.921 ( 10.767 -1.343 -9.510) 14.428 2.046 ( -8.438 -4.974 0.612) 9.814 2.146 ( -0.574 7.520 -10.638) 13.040 2.304 ( -13.722 6.963 3.510) 15.783 2.386 ( 3.820 4.997 -0.946) 6.361 2.543 ( 4.004 -0.256 -4.544) 6.062 2.728 ( 0.030 -1.276 0.701) 1.457 2.796 ( 5.292 0.313 -6.616) 8.478 2.839 ( 0.255 -4.033 0.938) 4.148 3.011 ( 2.815 -8.193 -0.050) 8.663 3.117 ( -1.965 -5.070 0.968) 5.523 3.127 ( -1.194 -1.695 -2.102) 2.952 3.216 ( 5.738 -5.548 -2.742) 8.440 3.269 ( -1.474 -0.798 4.732) 5.020 3.403 ( -2.402 -1.121 0.639) 2.727 3.417 ( 0.026 3.850 0.901) 3.954 3.489 ( 2.301 -8.884 -1.225) 9.258 3.621 ( -3.975 1.208 -0.116) 4.156 3.722 ( 6.978 3.211 -5.034) 9.184 3.842 ( 5.401 -2.019 3.978) 7.005 3.938 ( -4.286 -1.667 -2.792) 5.380 3.971 ( -8.855 1.923 0.486) 9.074 4.072 ( 2.621 16.114 -3.880) 16.781 4.226 ( -6.592 -1.188 -6.429) 9.284 4.315 ( 5.376 8.761 -7.306) 12.611 4.465 ( 3.412 -3.775 3.315) 6.072 4.528 ( -0.278 1.823 5.204) 5.521 4.635 ( 2.056 6.166 2.754) 7.059 4.761 ( -2.766 1.007 -3.592) 4.644 4.803 ( -0.604 7.570 6.900) 10.261 4.864 ( -1.571 1.625 0.580) 2.333 4.897 ( -3.684 8.009 -1.851) 9.008 4.952 ( -3.811 0.368 -1.528) 4.122 5.047 ( 1.346 3.804 0.450) 4.061 5.241 ( 2.461 7.147 -2.503) 7.962 5.411 ( -2.324 -3.652 5.865) 7.289 5.473 ( 1.020 -4.262 3.165) 5.406 5.546 ( 0.825 1.037 7.039) 7.163 5.836 ( 3.245 4.442 3.156) 6.341 5.980 ( 1.491 -2.803 -0.493) 3.213 6.041 ( -0.172 1.474 1.774) 2.313 6.139 ( 5.224 -0.165 -6.258) 8.153 6.251 ( -1.187 2.316 -1.277) 2.899 6.354 ( -4.979 1.310 -6.466) 8.265 6.409 ( 1.506 -0.438 -8.890) 9.027 6.687 ( -4.251 -4.777 2.473) 6.856 6.812 ( 5.128 -6.150 -0.799) 8.047 6.928 ( -3.011 -5.724 6.001) 8.823 7.061 ( 0.274 -6.699 1.441) 6.858 7.214 ( -2.079 5.728 10.075) 11.775 7.280 ( -3.979 -4.405 2.313) 6.371 7.338 ( -0.489 -3.282 -0.825) 3.419 7.471 ( -0.403 0.417 5.392) 5.423 7.565 ( 1.379 1.011 0.788) 1.882 7.750 ( -5.730 4.593 -3.740) 8.241 7.795 ( -0.451 3.420 8.021) 8.732 7.905 ( 2.508 5.560 8.602) 10.545 7.947 ( -3.678 7.796 16.325) 18.461 8.016 ( 8.288 10.801 7.738) 15.660 8.056 ( 5.395 1.018 5.680) 7.899 8.193 ( -5.379 5.640 2.027) 8.053 8.269 ( 5.119 1.234 -0.953) 5.351 8.378 ( 1.244 -0.330 -2.530) 2.839 8.430 ( 0.908 1.486 -5.495) 5.764 8.581 ( -5.030 0.576 3.863) 6.368 8.804 ( 3.460 -0.095 -4.181) 5.427 8.986 ( 0.571 2.760 -5.308) 6.010 9.142 ( -2.756 -2.034 -8.515) 9.178 9.158 ( 2.823 -0.491 -6.586) 7.182 9.459 ( -0.325 -2.963 5.294) 6.075 9.684 ( -0.814 -4.797 -0.120) 4.867 9.713 ( 1.238 -6.575 0.085) 6.691 9.825 ( -4.365 -4.377 -3.249) 6.984 9.899 ( 2.039 -3.690 1.769) 4.572 10.094 ( -7.929 -1.720 0.939) 8.168 10.131 ( -2.185 0.631 -2.357) 3.275 10.389 ( 13.650 -4.167 -3.701) 14.744 10.472 ( 11.625 -1.865 -0.992) 11.815 10.743 ( -1.458 -0.231 -8.331) 8.461 10.946 ( -5.765 -5.720 0.427) 8.133 11.080 ( 4.248 -0.977 1.675) 4.670 11.111 ( 0.716 2.327 -4.549) 5.160 11.156 ( -3.035 1.787 -0.598) 3.573 11.647 ( -1.747 -0.657 -0.437) 1.917 11.715 ( 2.897 3.570 -2.362) 5.169 12.098 ( -7.971 0.653 6.686) 10.424 12.417 ( 7.139 3.379 -5.299) 9.512 12.716 ( -15.012 0.379 2.847) 15.284 12.762 ( 2.359 -5.053 2.342) 6.049 12.888 ( 1.636 1.675 0.533) 2.401 13.098 ( -0.448 -3.153 -2.355) 3.961 13.211 ( 0.607 -5.814 -0.336) 5.855 13.343 ( -1.601 -1.401 -5.063) 5.492 14.873 ( 3.210 4.794 9.155) 10.821 15.424 ( -4.620 2.358 -17.684) 18.429 15.964 ( -0.229 -17.991 2.718) 18.197 16.067 ( -0.364 -17.164 -1.796) 17.261 16.412 ( 3.572 0.627 0.338) 3.642 16.434 ( 1.735 -0.433 -0.479) 1.851 16.750 ( -0.923 15.969 4.862) 16.719 17.055 ( -1.044 5.736 10.592) 12.091 17.168 ( 0.610 22.476 -13.150) 26.048 17.312 ( 0.640 0.297 -0.656) 0.963 18.141 ( 0.912 -12.047 16.481) 20.435 18.810 ( -1.480 -11.671 -15.205) 19.225 21.426 ( -0.198 1.170 -0.454) 1.270 21.431 ( 1.124 1.208 -0.274) 1.672 21.547 ( -0.657 1.301 2.145) 2.593 21.600 ( 0.971 1.427 3.268) 3.696 21.697 ( 0.662 0.936 -1.734) 2.079 21.804 ( -1.273 -0.039 -1.649) 2.083 22.334 ( -2.198 -0.459 1.596) 2.754 22.391 ( 3.282 -2.798 -0.698) 4.369 22.399 ( -1.038 -7.161 1.346) 7.360 22.444 ( 0.501 -7.385 -0.797) 7.444 22.929 ( 0.596 10.296 5.770) 11.818 23.133 ( -0.663 8.269 -4.370) 9.376 ======================= Grid point 136 (67/112) ======================= q-point: ( 0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -5.798 18.638 -5.298) 20.225 1.092 ( 4.261 14.175 -2.346) 14.986 1.631 ( -10.109 2.130 12.041) 15.865 1.843 ( -5.805 0.538 -2.220) 6.238 1.949 ( -1.076 7.399 -10.210) 12.655 2.033 ( 6.374 -1.292 1.192) 6.612 2.188 ( -14.798 0.381 8.345) 16.993 2.416 ( 1.349 1.335 -3.820) 4.266 2.529 ( 1.464 0.496 -6.117) 6.309 2.593 ( -0.347 -4.626 -4.589) 6.525 2.857 ( -2.605 -6.690 0.801) 7.224 2.953 ( 3.417 -2.957 5.926) 7.452 2.981 ( -4.668 -5.264 0.090) 7.036 3.045 ( -4.404 -0.228 -3.036) 5.353 3.142 ( -2.541 -6.032 5.259) 8.396 3.191 ( -0.748 -2.194 -6.159) 6.580 3.277 ( -4.773 -6.506 3.649) 8.856 3.393 ( -4.820 -0.698 -1.716) 5.163 3.403 ( -3.563 -1.523 2.320) 4.516 3.519 ( -0.771 -2.859 -0.071) 2.962 3.572 ( -2.722 1.880 0.629) 3.368 3.666 ( -3.462 8.202 -7.039) 11.349 3.798 ( -0.724 -0.195 7.039) 7.079 3.872 ( -3.680 -1.855 4.464) 6.076 3.987 ( -2.731 0.550 -3.136) 4.194 4.073 ( 4.234 9.871 -6.838) 12.733 4.218 ( 15.092 6.793 2.154) 16.690 4.277 ( 6.265 11.404 -7.669) 15.103 4.564 ( 4.241 -0.874 -0.907) 4.424 4.610 ( 6.746 -0.290 2.074) 7.063 4.708 ( 1.761 2.159 1.926) 3.387 4.721 ( 0.210 3.425 -1.883) 3.915 4.823 ( -0.855 10.622 -1.509) 10.763 4.858 ( 4.308 3.048 2.448) 5.818 4.912 ( 3.357 3.616 6.025) 7.787 4.953 ( 4.178 2.293 0.478) 4.790 5.145 ( 9.487 6.860 2.079) 11.891 5.211 ( 5.760 3.839 -6.519) 9.508 5.469 ( -0.641 -2.465 5.234) 5.821 5.516 ( 2.123 -4.636 -0.161) 5.102 5.710 ( 1.916 1.960 10.763) 11.107 5.857 ( 1.510 1.849 -6.670) 7.085 5.960 ( -2.059 2.040 -1.144) 3.116 6.022 ( -2.441 0.500 -7.729) 8.120 6.108 ( -1.382 0.260 5.933) 6.098 6.236 ( -0.065 -1.297 -5.282) 5.440 6.296 ( 1.024 3.110 -0.020) 3.274 6.315 ( -1.073 -0.141 -0.572) 1.224 6.677 ( -1.818 -4.605 2.222) 5.427 6.847 ( 1.966 -5.963 -1.407) 6.434 6.933 ( -5.604 -4.538 3.686) 8.099 7.048 ( -3.125 -6.021 -0.512) 6.803 7.225 ( -5.025 -0.520 1.332) 5.225 7.336 ( -0.651 -7.014 2.287) 7.406 7.360 ( -1.013 4.986 6.691) 8.406 7.503 ( -0.895 5.066 2.356) 5.658 7.597 ( -0.401 2.178 -0.682) 2.318 7.642 ( -3.251 4.968 1.122) 6.042 7.810 ( 5.320 -1.237 -4.769) 7.251 7.942 ( -7.921 6.215 0.491) 10.080 8.088 ( 7.092 1.484 8.573) 11.225 8.168 ( 5.381 8.568 0.565) 10.133 8.226 ( 4.851 2.506 5.337) 7.636 8.257 ( 1.699 -0.923 -4.962) 5.326 8.350 ( 1.632 1.410 -0.268) 2.173 8.386 ( 1.133 1.461 4.433) 4.803 8.465 ( 9.588 5.441 10.395) 15.152 8.565 ( 1.970 4.402 -7.012) 8.510 8.773 ( -0.981 -2.924 -3.613) 4.750 8.966 ( 7.415 1.177 -1.589) 7.674 9.039 ( -1.102 0.922 -2.410) 2.806 9.098 ( 1.776 0.441 -6.324) 6.584 9.527 ( -4.484 -6.038 7.496) 10.618 9.614 ( -4.859 -4.794 -0.340) 6.835 9.698 ( -4.050 -6.928 -6.432) 10.285 9.744 ( -1.571 -3.497 1.814) 4.241 9.930 ( -2.343 -0.525 1.640) 2.907 10.015 ( -0.583 -1.772 -1.453) 2.365 10.055 ( -6.560 -1.291 0.499) 6.705 10.508 ( 10.679 -8.478 -5.045) 14.539 10.516 ( -1.042 0.473 -11.230) 11.288 10.659 ( 7.689 -1.267 0.557) 7.813 10.873 ( -8.619 -4.812 2.289) 10.133 11.062 ( -1.738 5.513 0.886) 5.848 11.101 ( 1.790 -0.440 -3.973) 4.380 11.223 ( 8.277 0.011 1.960) 8.506 11.606 ( -4.890 -0.790 1.357) 5.136 11.707 ( 1.378 2.590 -3.384) 4.478 12.085 ( -8.962 3.350 8.526) 12.815 12.420 ( 4.362 0.341 -6.328) 7.693 12.551 ( -12.859 4.054 4.080) 14.087 12.868 ( 4.276 -5.601 4.459) 8.339 12.940 ( 0.282 0.573 2.041) 2.138 13.053 ( 3.087 -4.196 -4.701) 7.017 13.233 ( -0.978 -3.946 1.872) 4.476 13.262 ( -0.894 -1.744 -2.044) 2.831 15.060 ( 2.629 3.886 11.620) 12.531 15.128 ( -6.610 3.262 -13.682) 15.541 15.996 ( -0.783 -17.665 2.426) 17.848 16.033 ( -0.536 -19.309 -1.688) 19.390 16.377 ( -5.219 0.271 -1.689) 5.492 16.426 ( -1.897 -0.132 -1.025) 2.160 16.805 ( -2.676 18.087 6.682) 19.467 16.974 ( -1.081 20.642 -10.217) 23.057 17.248 ( 6.488 3.545 7.541) 10.561 17.356 ( 8.805 1.260 -3.330) 9.498 18.358 ( -1.931 -10.590 16.005) 19.288 18.546 ( -5.708 -10.330 -15.738) 19.671 21.426 ( 1.194 1.406 -0.213) 1.857 21.449 ( 2.458 1.097 -0.895) 2.836 21.570 ( -0.265 1.184 2.033) 2.368 21.629 ( 1.535 0.458 -1.397) 2.126 21.727 ( 0.989 1.317 3.562) 3.925 21.755 ( -0.677 1.320 -2.842) 3.205 22.276 ( -6.874 -1.971 0.951) 7.214 22.330 ( -7.089 -0.414 -0.892) 7.157 22.436 ( 1.970 -8.612 0.390) 8.843 22.470 ( 2.356 -8.877 -0.451) 9.195 23.043 ( 4.931 9.845 4.927) 12.063 23.093 ( 3.093 9.331 -4.243) 10.707 ======================= Grid point 137 (68/112) ======================= q-point: ( 0.22 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -0.597 14.925 1.673) 15.030 1.047 ( -1.970 11.620 0.134) 11.786 1.449 ( -17.161 0.385 -0.703) 17.179 1.874 ( 3.839 6.511 -5.072) 9.102 1.903 ( -2.344 4.464 9.975) 11.177 2.040 ( -10.554 -5.067 4.562) 12.565 2.224 ( 1.105 2.056 9.052) 9.348 2.287 ( -6.661 -0.758 -4.933) 8.324 2.514 ( 0.413 -4.750 -1.084) 4.889 2.595 ( 0.710 1.028 3.392) 3.615 2.780 ( -3.012 -5.370 -2.768) 6.750 2.917 ( -6.646 -6.505 -4.197) 10.203 2.939 ( -7.821 -5.498 1.671) 9.705 2.954 ( -2.911 -3.885 -0.861) 4.931 3.048 ( -7.153 -0.055 -3.194) 7.834 3.174 ( -0.670 -7.348 1.440) 7.517 3.237 ( -9.827 -6.843 5.070) 13.004 3.316 ( -5.298 -4.648 4.653) 8.445 3.346 ( -3.232 0.975 -3.175) 4.634 3.412 ( -6.593 3.328 -2.370) 7.756 3.554 ( 4.235 4.186 -3.447) 6.880 3.627 ( 0.937 4.777 0.824) 4.937 3.830 ( -1.315 -3.271 -0.159) 3.529 3.952 ( 1.440 3.435 -0.307) 3.738 3.993 ( 7.429 9.449 -14.686) 18.978 4.101 ( 7.103 4.323 14.625) 16.824 4.330 ( 8.280 9.878 1.565) 12.984 4.409 ( 7.150 7.136 -0.713) 10.126 4.607 ( 6.271 2.151 -2.066) 6.945 4.689 ( -0.120 2.175 -1.355) 2.565 4.720 ( 4.941 6.674 -0.782) 8.341 4.759 ( -1.258 3.700 3.431) 5.200 4.825 ( 3.831 4.183 -1.924) 5.990 5.012 ( 7.149 9.421 5.267) 12.946 5.044 ( 7.548 1.009 2.542) 8.028 5.073 ( 10.028 2.731 3.807) 11.069 5.236 ( 9.313 5.702 -1.849) 11.075 5.368 ( 13.483 -3.667 -0.224) 13.974 5.517 ( 1.554 -5.492 -1.313) 5.857 5.537 ( 4.143 0.490 -0.514) 4.203 5.694 ( -1.738 -0.313 -11.573) 11.707 5.846 ( 2.276 0.089 4.553) 5.091 5.885 ( -1.901 3.035 -6.005) 6.991 5.960 ( -2.436 3.126 1.324) 4.179 6.069 ( -5.379 -1.131 -4.657) 7.204 6.176 ( -2.899 1.131 4.635) 5.583 6.310 ( -1.492 -1.601 1.104) 2.451 6.370 ( 0.853 1.205 4.282) 4.529 6.665 ( -1.883 -4.748 -0.606) 5.144 6.835 ( -3.114 -4.898 0.301) 5.812 6.886 ( -6.004 -2.631 1.590) 6.745 6.942 ( -7.292 -5.173 -2.780) 9.363 7.188 ( -2.405 4.251 0.109) 4.886 7.287 ( -4.818 -2.738 -5.495) 7.804 7.370 ( -4.650 -1.845 5.961) 7.782 7.555 ( -1.180 6.083 1.998) 6.511 7.581 ( 1.480 2.055 -0.150) 2.537 7.631 ( -6.085 2.781 5.165) 8.452 7.856 ( 10.991 -1.646 -11.536) 16.019 7.893 ( 1.754 3.676 3.606) 5.440 8.118 ( -1.173 -1.315 -6.786) 7.011 8.225 ( 0.178 2.875 -7.799) 8.314 8.270 ( 9.342 2.135 -1.278) 9.668 8.322 ( 3.734 2.521 -2.710) 5.258 8.335 ( 3.780 4.065 -12.901) 14.044 8.421 ( 2.748 4.974 0.729) 5.730 8.489 ( 9.221 2.625 4.596) 10.632 8.779 ( 8.772 -0.799 5.846) 10.572 8.833 ( 2.451 2.115 11.405) 11.856 8.907 ( 1.603 -3.085 -11.164) 11.693 9.057 ( -0.792 2.895 1.262) 3.256 9.171 ( 5.470 0.117 8.294) 9.936 9.457 ( -4.466 -3.653 -3.897) 6.963 9.575 ( -1.751 -7.799 -3.676) 8.798 9.621 ( -4.729 -5.519 4.826) 8.724 9.714 ( -9.340 -0.777 7.547) 12.033 9.917 ( -4.305 -0.913 4.463) 6.268 9.958 ( -2.441 1.032 -3.733) 4.578 10.042 ( 1.222 -3.167 1.317) 3.641 10.336 ( -1.285 -3.259 -9.131) 9.780 10.578 ( 9.480 -5.821 -5.632) 12.469 10.738 ( 0.654 -0.078 -1.798) 1.915 10.791 ( -6.979 -1.720 3.766) 8.115 11.065 ( -0.826 3.401 1.237) 3.712 11.104 ( 3.808 -3.033 -0.975) 4.966 11.362 ( 7.359 -0.934 2.315) 7.771 11.555 ( -6.506 -0.399 2.422) 6.953 11.662 ( -0.156 0.452 -3.959) 3.988 12.075 ( -9.700 7.201 8.526) 14.786 12.373 ( -4.833 0.483 1.326) 5.035 12.486 ( 0.139 4.246 -1.994) 4.693 12.907 ( -0.115 -2.138 -3.411) 4.028 12.988 ( 1.416 -7.306 5.457) 9.229 13.085 ( 3.147 -1.134 0.739) 3.426 13.189 ( -2.304 -4.917 -0.482) 5.452 13.305 ( 0.432 -2.645 3.893) 4.726 14.892 ( -4.648 4.748 -8.392) 10.704 15.244 ( -0.563 3.558 12.176) 12.697 15.981 ( -0.997 -18.172 -1.254) 18.242 16.040 ( -0.306 -16.427 2.263) 16.585 16.262 ( -6.175 0.386 -2.769) 6.779 16.360 ( -3.855 -0.746 -2.240) 4.520 16.825 ( -1.878 18.459 -1.049) 18.584 16.890 ( -3.326 19.862 3.996) 20.531 17.400 ( 10.320 0.321 -4.740) 11.361 17.471 ( 10.886 1.502 1.767) 11.130 18.246 ( -6.882 -7.514 -13.704) 17.077 18.520 ( -5.483 -9.415 14.455) 18.101 21.457 ( 3.137 1.400 0.290) 3.448 21.472 ( 2.542 1.001 -0.809) 2.850 21.582 ( -0.700 1.237 0.217) 1.438 21.627 ( 2.438 0.712 -2.772) 3.760 21.702 ( -0.326 2.134 -2.407) 3.233 21.801 ( 0.923 0.407 3.686) 3.822 22.197 ( -6.812 -0.838 1.993) 7.147 22.214 ( -7.154 0.161 -0.692) 7.190 22.456 ( 0.720 -9.207 0.037) 9.235 22.485 ( 1.071 -9.791 -0.644) 9.870 23.087 ( 4.303 9.542 -4.494) 11.391 23.174 ( 4.957 8.284 3.288) 10.198 ======================= Grid point 138 (69/112) ======================= q-point: ( 0.33 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 1.772 5.037 12.683) 13.761 1.175 ( 4.107 8.127 10.378) 13.806 1.264 ( -8.026 8.802 2.155) 12.105 1.795 ( -0.678 0.439 -7.481) 7.525 1.954 ( -3.573 5.689 5.723) 8.825 1.982 ( -12.379 0.855 6.477) 13.997 2.260 ( 1.062 -4.285 8.825) 9.868 2.325 ( -4.821 -0.172 5.272) 7.146 2.522 ( 2.910 -3.944 5.328) 7.240 2.671 ( -2.241 -0.895 5.021) 5.571 2.703 ( -5.055 -7.480 -4.149) 9.935 2.774 ( -0.420 -4.072 0.273) 4.103 2.868 ( -6.095 -3.395 -1.261) 7.090 2.920 ( -4.960 2.181 6.272) 8.288 2.974 ( 2.125 -5.482 -3.517) 6.851 3.180 ( -4.033 -3.618 4.327) 6.934 3.193 ( -2.418 -4.052 1.710) 5.019 3.243 ( -3.308 4.361 -1.669) 5.722 3.300 ( -6.444 -5.961 6.520) 10.935 3.412 ( 1.520 2.901 2.326) 4.017 3.587 ( 4.040 0.980 0.524) 4.190 3.636 ( -2.844 2.004 2.339) 4.192 3.845 ( 3.783 0.865 -3.323) 5.109 3.892 ( 7.919 6.071 -11.223) 15.018 3.980 ( 0.059 2.202 0.227) 2.214 4.258 ( -1.246 4.030 1.918) 4.634 4.417 ( 1.820 8.632 -5.111) 10.196 4.489 ( 10.003 7.673 -1.822) 12.738 4.639 ( 0.948 5.879 -1.733) 6.202 4.674 ( -0.308 3.394 -1.555) 3.746 4.735 ( -0.663 6.088 -0.408) 6.137 4.788 ( 2.569 4.192 -2.604) 5.563 4.828 ( 5.275 3.792 -2.254) 6.877 5.031 ( -3.934 7.188 -3.093) 8.759 5.215 ( 5.016 1.091 4.619) 6.905 5.317 ( 6.691 2.671 -1.352) 7.330 5.336 ( 7.680 1.629 -0.323) 7.857 5.395 ( 2.533 3.473 -10.048) 10.929 5.485 ( 9.949 -5.938 -3.866) 12.214 5.537 ( 3.093 -2.547 -2.990) 4.999 5.696 ( -2.093 2.573 0.625) 3.375 5.767 ( 7.767 -4.162 -7.592) 11.631 5.919 ( -0.464 -1.650 2.799) 3.282 5.952 ( 3.810 1.626 -2.011) 4.605 6.028 ( 1.944 5.281 2.847) 6.307 6.199 ( -4.152 -0.178 6.007) 7.305 6.313 ( -1.834 -3.366 3.264) 5.035 6.392 ( -1.726 1.256 1.420) 2.564 6.623 ( -8.489 -5.185 1.481) 10.057 6.717 ( -8.748 -1.598 2.358) 9.200 6.836 ( -4.766 -1.027 2.934) 5.690 6.901 ( 2.618 -6.363 -1.727) 7.094 7.120 ( -0.449 5.069 -8.341) 9.771 7.143 ( -7.259 2.919 -0.910) 7.876 7.356 ( -6.475 0.836 2.965) 7.171 7.496 ( -2.675 -2.457 -8.001) 8.787 7.596 ( -1.289 3.767 -1.163) 4.148 7.635 ( 0.782 0.629 3.971) 4.096 7.763 ( 0.325 -1.750 -12.152) 12.282 8.000 ( -0.919 1.901 -10.806) 11.011 8.045 ( 6.220 3.188 4.688) 8.416 8.083 ( 6.828 2.308 -9.789) 12.156 8.190 ( 3.810 2.882 -11.299) 12.267 8.238 ( 1.060 3.990 -11.004) 11.753 8.437 ( 8.661 0.203 2.866) 9.125 8.496 ( -0.468 2.004 -0.266) 2.075 8.670 ( 3.669 2.459 3.310) 5.519 8.808 ( 2.491 -0.227 -0.569) 2.565 8.918 ( 5.179 1.160 2.492) 5.863 9.011 ( 6.065 -3.667 3.202) 7.777 9.140 ( 2.744 1.468 7.955) 8.542 9.286 ( -2.301 -3.005 5.891) 7.002 9.384 ( -1.482 -2.311 -0.598) 2.810 9.564 ( -1.752 -1.026 -0.769) 2.171 9.607 ( 2.214 -5.362 3.367) 6.708 9.716 ( -7.649 -4.820 7.249) 11.588 9.900 ( -1.563 -2.058 1.399) 2.938 9.922 ( -1.296 1.589 0.896) 2.238 10.072 ( -1.123 1.474 2.099) 2.800 10.261 ( 4.871 -5.101 -5.408) 8.888 10.617 ( 3.738 -1.897 -1.514) 4.457 10.673 ( -8.013 -3.133 2.740) 9.029 10.773 ( 3.484 1.268 -3.644) 5.198 11.051 ( -2.090 0.736 -0.603) 2.297 11.149 ( 2.054 -7.417 0.067) 7.696 11.458 ( -5.657 -1.686 2.762) 6.517 11.497 ( 3.064 2.799 -0.652) 4.201 11.623 ( -0.176 -1.784 -0.986) 2.046 12.056 ( -8.394 9.112 7.770) 14.624 12.349 ( -6.144 2.168 6.367) 9.109 12.471 ( 3.561 3.320 -4.520) 6.644 12.876 ( 1.700 -3.614 -2.306) 4.611 13.042 ( -1.109 -5.269 1.840) 5.690 13.116 ( -0.350 -1.107 0.849) 1.438 13.192 ( -0.467 -6.375 3.541) 7.308 13.337 ( -2.114 -3.689 1.993) 4.695 14.803 ( 1.797 5.973 -1.069) 6.328 15.347 ( -6.723 3.784 9.454) 12.202 15.963 ( 0.200 -18.410 -0.366) 18.415 16.069 ( -0.737 -13.098 2.932) 13.442 16.158 ( -2.918 -0.567 -2.442) 3.848 16.284 ( -1.538 -1.470 -2.578) 3.343 16.797 ( 1.896 17.478 -1.784) 17.671 16.906 ( -7.464 20.629 7.524) 23.193 17.436 ( 9.651 1.253 -9.474) 13.582 17.604 ( 4.949 -2.596 -3.459) 6.572 18.062 ( 2.285 -3.878 -3.549) 5.732 18.593 ( -9.628 -9.348 11.338) 17.568 21.493 ( 2.040 1.043 -0.891) 2.459 21.498 ( 2.435 1.174 -1.749) 3.219 21.577 ( 1.354 1.479 0.658) 2.111 21.618 ( 1.887 0.770 -3.069) 3.684 21.674 ( -0.951 2.253 -0.823) 2.580 21.846 ( 0.059 -0.067 1.580) 1.583 22.141 ( -3.417 -0.119 2.140) 4.033 22.173 ( -3.799 -0.154 5.384) 6.591 22.458 ( -0.359 -9.247 -0.201) 9.256 22.487 ( 0.971 -9.806 -0.960) 9.900 23.078 ( 3.967 9.816 -5.387) 11.879 23.238 ( 0.847 7.161 -0.444) 7.224 ======================= Grid point 139 (70/112) ======================= q-point: ( 0.44 0.17 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -5.214 7.781 6.605) 11.462 1.236 ( 1.763 7.405 6.631) 10.095 1.418 ( 3.508 7.519 13.227) 15.614 1.789 ( 7.468 -0.825 2.651) 7.968 1.945 ( -3.140 3.096 5.079) 6.726 2.036 ( -4.020 4.286 13.615) 14.829 2.261 ( -2.511 2.192 -2.710) 4.296 2.362 ( -5.109 0.558 7.551) 9.134 2.606 ( -0.473 -6.447 -2.552) 6.950 2.639 ( -4.598 -4.976 -0.508) 6.794 2.730 ( 1.544 -3.170 11.517) 12.045 2.803 ( -0.239 -5.922 5.490) 8.079 2.886 ( 3.276 -3.879 4.049) 6.494 2.964 ( 1.774 -0.491 5.247) 5.561 2.985 ( 5.256 -0.725 -2.194) 5.742 3.173 ( -4.468 -2.672 6.085) 8.008 3.200 ( -1.900 -1.030 0.791) 2.301 3.266 ( 3.885 0.567 2.354) 4.578 3.332 ( -4.790 -4.733 8.743) 11.035 3.467 ( 3.111 1.681 2.412) 4.281 3.614 ( -1.877 1.860 -0.185) 2.649 3.671 ( 0.419 -1.002 5.297) 5.407 3.794 ( 5.445 1.303 -9.923) 11.393 3.910 ( 5.358 -0.992 -3.804) 6.645 3.952 ( -5.109 3.922 1.674) 6.655 4.123 ( -10.495 2.765 -8.057) 13.516 4.377 ( 2.593 13.107 -5.727) 14.537 4.490 ( 2.942 10.907 -8.141) 13.925 4.543 ( -1.181 4.033 -7.988) 9.026 4.662 ( -5.385 2.437 -1.499) 6.097 4.733 ( 3.414 6.239 -0.379) 7.122 4.766 ( 5.187 0.701 -5.578) 7.649 4.852 ( -3.939 5.617 -4.574) 8.246 4.916 ( 0.519 6.998 -2.039) 7.307 5.120 ( -6.195 4.742 -6.176) 9.950 5.298 ( -1.831 -3.226 -4.291) 5.672 5.343 ( -0.020 -0.895 -1.324) 1.599 5.385 ( 4.293 -4.186 -8.993) 10.808 5.475 ( -1.002 -0.411 -1.862) 2.155 5.619 ( 0.010 5.936 3.320) 6.802 5.749 ( 10.911 1.357 0.010) 10.995 5.828 ( 9.524 -2.351 -3.614) 10.454 5.914 ( 2.331 2.498 -3.893) 5.179 6.024 ( 0.784 -4.500 5.188) 6.912 6.142 ( 8.892 4.685 0.927) 10.093 6.195 ( -2.812 -2.383 -3.064) 4.793 6.333 ( -4.608 -1.534 7.392) 8.844 6.442 ( -0.471 1.902 5.773) 6.097 6.490 ( -7.262 -3.029 4.311) 8.972 6.720 ( 0.569 -2.637 0.531) 2.750 6.835 ( -2.363 -3.805 -7.661) 8.874 6.880 ( -0.183 2.714 8.510) 8.934 6.981 ( -4.815 1.166 -3.093) 5.840 7.134 ( 2.205 2.662 0.356) 3.475 7.272 ( -1.586 -1.778 -9.621) 9.911 7.315 ( -4.809 -1.673 -4.164) 6.578 7.485 ( -7.541 6.377 -5.618) 11.362 7.619 ( -1.402 -1.332 -4.787) 5.162 7.701 ( 1.369 -0.741 -1.406) 2.097 7.833 ( 0.990 5.619 -7.613) 9.514 8.042 ( 2.590 6.072 -15.233) 16.602 8.098 ( 3.385 4.010 -8.847) 10.286 8.110 ( 5.213 -1.445 -2.549) 5.980 8.209 ( -0.240 0.799 1.834) 2.015 8.436 ( 1.211 2.320 0.054) 2.618 8.572 ( 1.882 -0.393 2.338) 3.026 8.707 ( -0.155 1.342 1.500) 2.018 8.843 ( 1.019 -0.345 -1.487) 1.836 9.036 ( 4.127 2.071 6.866) 8.274 9.164 ( 4.775 -9.446 4.765) 11.607 9.230 ( -0.535 -2.697 4.397) 5.186 9.356 ( 1.651 -1.050 5.597) 5.929 9.376 ( -2.863 -0.380 2.179) 3.618 9.535 ( -1.450 0.809 0.489) 1.731 9.670 ( -1.644 -8.065 -1.707) 8.407 9.720 ( 5.358 -1.625 3.281) 6.490 9.867 ( -12.343 3.662 3.430) 13.324 9.961 ( 6.991 -2.922 -1.120) 7.660 10.056 ( -3.471 3.026 2.577) 5.277 10.301 ( 9.301 -4.260 -4.673) 11.247 10.595 ( -11.217 -2.927 5.554) 12.854 10.697 ( 5.945 -1.059 4.691) 7.647 10.804 ( 10.603 -0.808 -6.502) 12.464 10.995 ( -3.475 -3.072 -2.059) 5.074 11.149 ( -0.845 -4.337 -0.386) 4.436 11.344 ( -6.657 -0.095 -2.813) 7.227 11.570 ( 1.273 1.532 2.862) 3.487 11.620 ( 0.987 -2.113 -0.324) 2.355 12.066 ( -5.908 7.944 7.920) 12.678 12.373 ( -4.586 2.681 7.918) 9.534 12.457 ( 3.383 3.232 -4.534) 6.515 12.867 ( 1.359 -3.556 -3.412) 5.112 13.033 ( -2.126 -3.911 1.024) 4.567 13.109 ( -0.636 -1.107 -0.612) 1.416 13.240 ( -1.045 -5.957 4.308) 7.425 13.317 ( -1.741 -3.807 0.470) 4.213 14.916 ( 9.212 5.412 6.056) 12.282 15.300 ( -12.552 4.288 3.393) 13.691 15.980 ( 1.607 -18.460 0.954) 18.554 16.059 ( -3.860 -14.762 0.706) 15.275 16.157 ( 2.937 0.167 1.122) 3.148 16.259 ( 1.666 -1.521 -1.506) 2.712 16.836 ( 5.553 18.416 0.278) 19.237 16.879 ( -8.570 19.953 4.797) 22.239 17.416 ( 6.619 1.788 -9.537) 11.746 17.490 ( -4.388 0.074 -9.239) 10.228 18.234 ( 13.921 -6.833 7.358) 17.165 18.559 ( -12.956 -9.849 6.465) 17.512 21.476 ( 0.900 1.417 -2.872) 3.326 21.500 ( 1.155 1.076 -2.043) 2.581 21.595 ( 0.721 0.590 -1.362) 1.650 21.606 ( -1.972 0.783 0.088) 2.124 21.688 ( 3.738 2.342 1.572) 4.683 21.836 ( -2.126 0.378 -0.926) 2.349 22.186 ( 0.977 -1.841 6.207) 6.548 22.240 ( -0.938 -1.000 8.631) 8.739 22.441 ( -1.055 -9.022 -0.750) 9.115 22.488 ( 1.035 -8.365 -0.758) 8.463 23.051 ( 3.640 10.331 -6.001) 12.490 23.178 ( -3.567 7.826 -5.411) 10.161 ======================= Grid point 140 (71/112) ======================= q-point: (-0.44 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -5.759 12.048 3.541) 13.815 1.262 ( 0.097 12.499 -0.982) 12.538 1.622 ( -14.164 0.257 10.189) 17.450 1.880 ( 0.295 7.419 7.446) 10.515 2.047 ( 13.816 0.035 0.540) 13.827 2.188 ( -2.662 1.886 14.405) 14.770 2.255 ( 9.611 5.056 -7.053) 12.949 2.455 ( 0.137 -1.266 12.027) 12.095 2.552 ( -5.475 -6.763 -4.078) 9.610 2.610 ( 4.686 -4.633 -1.712) 6.808 2.784 ( -2.217 -5.167 4.345) 7.106 2.891 ( -0.034 1.364 1.866) 2.311 2.990 ( 3.098 -0.264 -2.849) 4.217 2.999 ( 5.943 0.171 2.869) 6.601 3.105 ( -1.567 0.142 7.732) 7.890 3.162 ( -3.054 0.024 -1.302) 3.320 3.224 ( 1.061 -2.773 4.974) 5.792 3.320 ( -1.321 -0.433 1.706) 2.201 3.416 ( 0.503 -2.100 6.304) 6.664 3.527 ( -2.934 3.928 0.610) 4.940 3.608 ( 4.849 -0.485 -0.874) 4.951 3.656 ( 0.913 -5.790 -4.400) 7.329 3.782 ( -5.782 -1.601 3.770) 7.086 3.894 ( -4.978 -2.405 -2.075) 5.905 3.950 ( 5.779 1.423 4.274) 7.328 3.996 ( 2.199 1.456 7.657) 8.099 4.278 ( 3.200 6.373 -14.577) 16.228 4.370 ( -0.480 6.265 -12.889) 14.339 4.448 ( -4.841 9.475 -3.822) 11.306 4.542 ( 0.400 5.380 -4.601) 7.090 4.684 ( -3.900 5.786 -2.138) 7.298 4.797 ( 0.261 5.360 2.234) 5.813 4.803 ( 4.550 4.551 -1.743) 6.667 4.928 ( 3.007 4.782 -2.446) 6.156 5.022 ( -0.734 3.687 -0.808) 3.845 5.152 ( -1.677 -3.645 -11.237) 11.932 5.242 ( -7.865 1.365 0.406) 7.993 5.354 ( -2.291 -3.357 0.457) 4.090 5.491 ( -1.384 -1.919 3.724) 4.412 5.620 ( -4.537 5.541 -0.027) 7.162 5.752 ( -6.834 -1.536 -4.748) 8.462 5.845 ( 0.975 1.596 -5.286) 5.607 5.979 ( 6.017 0.237 4.190) 7.336 6.065 ( -3.362 1.635 -2.471) 4.481 6.108 ( 4.832 -0.332 -1.890) 5.199 6.238 ( 6.692 0.727 -3.489) 7.582 6.337 ( -3.400 -1.541 3.159) 4.890 6.493 ( 4.539 1.282 1.141) 4.852 6.566 ( -1.179 -1.841 1.491) 2.646 6.697 ( 1.269 -0.112 -6.876) 6.993 6.769 ( 2.858 -3.154 5.591) 7.027 6.939 ( -2.409 -0.786 2.040) 3.253 6.980 ( 0.386 1.354 -3.270) 3.560 7.072 ( 1.675 -0.765 2.685) 3.256 7.192 ( -2.032 1.981 -3.020) 4.144 7.267 ( -0.152 -5.021 -1.262) 5.180 7.373 ( -2.719 2.499 3.757) 5.268 7.542 ( -4.244 6.744 -1.363) 8.084 7.660 ( 4.391 2.518 -4.530) 6.792 7.799 ( -1.350 4.078 -8.808) 9.800 7.907 ( 0.222 4.847 -2.413) 5.419 8.002 ( 0.227 5.843 -8.824) 10.586 8.051 ( -8.238 -1.965 -0.210) 8.471 8.244 ( 8.219 1.751 -2.539) 8.779 8.533 ( -4.172 2.204 -1.004) 4.824 8.559 ( 6.238 2.394 3.126) 7.377 8.729 ( -2.514 -1.314 2.082) 3.519 8.795 ( -3.228 -2.986 -1.796) 4.750 9.155 ( -1.220 -4.367 4.517) 6.400 9.215 ( -0.116 -9.905 -0.212) 9.908 9.303 ( -2.037 -0.492 2.728) 3.440 9.322 ( -4.372 -0.716 3.481) 5.634 9.489 ( -6.822 1.447 -0.792) 7.019 9.501 ( 1.847 1.487 7.671) 8.029 9.594 ( -3.364 -5.609 -1.943) 6.823 9.658 ( -4.812 3.097 -1.693) 5.968 9.937 ( 10.481 -4.414 1.002) 11.417 10.024 ( -2.050 -1.321 5.693) 6.193 10.102 ( 10.815 3.168 -2.595) 11.564 10.361 ( 11.940 -3.428 -8.409) 15.001 10.530 ( -9.989 -1.466 6.243) 11.870 10.841 ( 7.378 -3.716 -1.540) 8.404 10.870 ( -0.356 -3.928 0.835) 4.032 10.920 ( 5.395 -4.510 -3.978) 8.079 11.148 ( -1.539 1.644 2.721) 3.532 11.232 ( -2.051 -0.111 -3.278) 3.868 11.582 ( -3.434 -1.154 2.289) 4.285 11.658 ( 4.354 0.513 -0.510) 4.414 12.096 ( -5.532 5.518 7.641) 10.929 12.409 ( 5.659 2.726 -6.846) 9.291 12.471 ( -5.349 2.632 12.015) 13.413 12.817 ( 2.194 -1.739 -6.647) 7.212 13.015 ( -4.022 -2.933 2.412) 5.532 13.089 ( -0.397 -1.136 -0.960) 1.539 13.264 ( -2.383 -5.681 2.760) 6.751 13.336 ( 2.895 -3.654 0.981) 4.764 15.124 ( -13.594 4.760 -1.691) 14.502 15.190 ( 14.839 4.051 8.947) 17.795 15.999 ( -2.971 -15.941 0.710) 16.231 16.041 ( 1.847 -18.444 0.946) 18.560 16.211 ( 2.332 0.105 0.521) 2.391 16.267 ( 2.355 -1.020 -2.241) 3.407 16.813 ( -7.110 18.143 1.892) 19.579 16.957 ( 10.250 20.394 1.434) 22.870 17.301 ( -7.873 3.286 -5.661) 10.239 17.372 ( 2.982 1.812 -6.061) 6.993 18.416 ( -14.804 -10.938 1.404) 18.460 18.550 ( 15.686 -10.047 6.861) 19.851 21.460 ( 0.900 1.222 -1.455) 2.102 21.471 ( 0.002 1.220 -2.783) 3.039 21.564 ( -3.386 0.998 0.465) 3.560 21.607 ( 1.402 0.535 0.457) 1.568 21.765 ( 1.311 1.000 1.027) 1.943 21.775 ( -1.758 1.272 -1.266) 2.512 22.300 ( 1.941 -4.879 6.377) 8.261 22.345 ( -0.697 -6.673 6.165) 9.112 22.414 ( -1.209 -4.383 -0.071) 4.547 22.494 ( 1.118 -5.674 -0.784) 5.836 23.018 ( -4.251 10.281 -6.525) 12.897 23.037 ( 3.047 10.411 -4.157) 11.617 ======================= Grid point 141 (72/112) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -7.419 15.996 6.306) 18.727 1.262 ( 3.857 11.581 -0.660) 12.225 1.340 ( -27.514 6.890 3.172) 28.540 2.045 ( 3.454 2.405 -16.824) 17.342 2.118 ( 3.569 1.454 12.752) 13.322 2.201 ( -7.095 13.106 -9.896) 17.890 2.384 ( 1.631 0.980 10.516) 10.687 2.435 ( 12.070 -2.239 -3.481) 12.760 2.605 ( 1.510 -3.639 4.782) 6.196 2.684 ( 8.785 -2.848 -3.812) 9.991 2.782 ( 1.558 2.963 -6.137) 6.990 2.879 ( -2.885 -3.976 3.826) 6.227 2.996 ( 3.507 -3.281 -3.329) 5.844 3.072 ( -2.750 -0.121 -3.228) 4.242 3.123 ( 3.835 -0.516 -1.539) 4.164 3.183 ( 3.926 -4.768 4.554) 7.674 3.257 ( 1.975 -1.431 -0.246) 2.451 3.378 ( -3.626 4.793 -1.581) 6.215 3.433 ( 1.802 -2.043 4.991) 5.686 3.469 ( -1.754 -2.428 -0.006) 2.995 3.618 ( 0.453 -0.187 -4.667) 4.693 3.692 ( 4.090 -2.586 3.621) 6.044 3.752 ( -2.813 -6.554 1.860) 7.371 3.956 ( 1.615 2.208 10.277) 10.635 4.051 ( 3.624 3.330 -7.361) 8.854 4.111 ( 2.453 6.843 -7.099) 10.161 4.165 ( 1.695 1.457 -2.912) 3.671 4.265 ( 4.217 -1.383 5.435) 7.017 4.363 ( -4.047 7.144 4.534) 9.379 4.505 ( -2.160 1.788 0.962) 2.964 4.699 ( 1.975 8.657 1.351) 8.981 4.779 ( -3.600 8.684 -0.467) 9.412 4.839 ( 2.856 4.738 -0.088) 5.533 4.912 ( 0.546 0.592 -4.160) 4.237 5.032 ( -1.753 -0.455 1.125) 2.132 5.085 ( 2.477 0.978 2.494) 3.648 5.176 ( -5.478 -0.178 5.396) 7.691 5.323 ( -8.152 -0.433 3.967) 9.077 5.403 ( -13.359 -0.401 -2.251) 13.554 5.502 ( -12.161 4.555 0.202) 12.987 5.627 ( -3.029 -1.383 -0.626) 3.388 5.709 ( -5.634 3.190 -7.003) 9.537 6.020 ( 6.246 7.905 -6.300) 11.882 6.067 ( 1.604 -5.251 -1.144) 5.609 6.156 ( 2.371 -5.617 -0.598) 6.126 6.270 ( 4.380 1.229 -0.194) 4.553 6.375 ( 1.504 1.928 4.934) 5.506 6.511 ( 1.835 0.437 -1.812) 2.616 6.608 ( 7.658 -2.426 0.187) 8.035 6.685 ( 2.592 -0.199 -1.203) 2.864 6.760 ( -3.518 -1.972 -5.470) 6.796 6.935 ( 1.373 -4.592 6.032) 7.704 7.041 ( 0.805 -0.250 2.693) 2.821 7.105 ( -1.709 -1.837 -5.446) 5.996 7.204 ( 7.882 3.308 5.468) 10.147 7.338 ( 4.066 -0.075 6.719) 7.854 7.410 ( -4.116 -1.728 6.098) 7.557 7.516 ( -4.327 5.919 3.822) 8.268 7.609 ( -2.181 5.470 -7.893) 9.847 7.688 ( 1.994 5.706 0.448) 6.061 7.849 ( -2.544 4.872 -5.433) 7.728 7.903 ( -5.859 7.103 -0.010) 9.208 7.985 ( -1.722 0.818 0.418) 1.952 8.318 ( 3.154 2.442 -1.723) 4.345 8.411 ( -7.953 -2.341 -1.325) 8.396 8.599 ( -5.973 1.561 -3.161) 6.936 8.724 ( 2.601 -2.741 2.794) 4.699 8.767 ( -1.537 2.451 1.584) 3.299 9.008 ( -15.668 3.150 -2.973) 16.255 9.183 ( -2.703 -9.121 -2.266) 9.779 9.277 ( -1.287 -4.012 0.412) 4.233 9.342 ( -0.027 -1.081 4.631) 4.755 9.431 ( -3.166 -1.672 -2.426) 4.325 9.532 ( 0.199 -0.672 0.817) 1.077 9.633 ( 3.486 -1.077 3.094) 4.784 9.682 ( 4.391 -3.745 1.712) 6.019 10.002 ( 5.364 -5.267 -5.028) 9.044 10.069 ( -1.755 1.618 4.924) 5.472 10.238 ( 8.840 -0.172 -1.516) 8.971 10.387 ( 11.315 -3.048 -12.590) 17.200 10.478 ( -8.418 0.019 3.708) 9.198 10.752 ( -4.957 -4.254 -3.699) 7.507 10.915 ( 9.255 -3.831 -5.108) 11.244 11.019 ( 5.786 -1.500 0.557) 6.003 11.134 ( -1.743 -1.737 0.566) 2.525 11.264 ( 1.377 1.226 5.551) 5.849 11.568 ( -0.133 -1.332 -0.075) 1.341 11.702 ( 3.282 1.315 -1.106) 3.705 12.117 ( -5.942 3.211 7.069) 9.777 12.371 ( 4.949 4.378 -8.079) 10.437 12.612 ( -1.762 -1.622 14.063) 14.265 12.770 ( 5.144 0.152 -7.438) 9.045 12.997 ( -5.576 -2.278 5.920) 8.445 13.079 ( 0.015 -1.273 0.077) 1.275 13.262 ( -1.222 -6.308 0.316) 6.433 13.392 ( 3.772 -2.944 -0.200) 4.789 14.915 ( -10.756 5.573 -3.544) 12.622 15.532 ( 18.881 3.362 6.071) 20.116 15.958 ( -3.027 -17.054 0.128) 17.322 16.089 ( 2.145 -13.856 1.308) 14.082 16.218 ( 0.001 -0.079 -1.987) 1.989 16.247 ( 1.824 -1.697 -5.137) 5.709 16.747 ( -4.734 16.135 0.715) 16.830 17.108 ( -3.254 10.204 0.369) 10.717 17.164 ( 5.686 16.284 0.298) 17.250 17.353 ( 0.323 1.118 0.481) 1.260 18.191 ( -15.455 -11.756 -3.307) 19.698 18.826 ( 14.547 -11.709 2.151) 18.797 21.433 ( -0.791 1.291 -1.032) 1.832 21.465 ( 0.577 1.045 -0.125) 1.201 21.532 ( -2.669 1.250 1.001) 3.113 21.625 ( -1.776 0.788 0.478) 2.001 21.703 ( -0.059 1.195 -2.059) 2.381 21.820 ( 0.990 -0.063 1.499) 1.798 22.327 ( -1.511 -8.957 -3.919) 9.893 22.383 ( 0.574 -8.297 2.551) 8.699 22.430 ( -1.143 -0.647 1.963) 2.362 22.487 ( 0.827 -2.307 -2.597) 3.571 22.880 ( -5.373 11.608 -1.167) 12.844 23.095 ( 5.201 8.912 2.713) 10.670 ======================= Grid point 142 (73/112) ======================= q-point: (-0.22 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -16.176 18.205 0.479) 24.358 1.130 ( -20.535 14.426 14.687) 29.077 1.385 ( 9.180 7.969 1.680) 12.272 1.820 ( 4.290 5.692 -19.728) 20.976 1.955 ( -17.062 27.630 10.556) 34.146 2.361 ( 12.942 -5.371 0.702) 14.030 2.504 ( 4.887 -3.376 -5.680) 8.218 2.546 ( 2.540 -2.210 0.286) 3.379 2.638 ( 1.673 1.058 -3.077) 3.659 2.694 ( 3.090 -1.770 -1.712) 3.951 2.760 ( 8.512 -6.951 -9.065) 14.246 2.859 ( -2.756 1.567 -2.586) 4.092 2.962 ( 7.521 -6.021 -8.565) 12.891 3.022 ( 3.746 -4.784 -6.296) 8.750 3.112 ( 3.697 -2.407 -3.717) 5.769 3.197 ( 1.799 -2.570 -4.941) 5.853 3.257 ( -3.445 2.846 0.149) 4.472 3.390 ( 3.858 -1.999 0.456) 4.369 3.466 ( 4.993 0.498 -0.481) 5.041 3.522 ( 2.358 -0.230 2.092) 3.161 3.585 ( -0.771 -1.114 -1.795) 2.249 3.681 ( -2.155 -5.047 -2.925) 6.219 3.844 ( 5.925 -1.808 -5.331) 8.173 3.873 ( 0.487 -0.174 -0.442) 0.680 4.112 ( 2.060 12.110 -1.880) 12.427 4.158 ( 3.773 3.121 3.425) 5.975 4.198 ( -1.118 4.117 7.637) 8.747 4.309 ( -1.274 4.581 2.118) 5.206 4.483 ( -0.384 -3.282 8.112) 8.759 4.545 ( 0.495 3.375 6.974) 7.763 4.614 ( -7.126 5.669 -1.851) 9.292 4.750 ( -9.282 7.379 -0.521) 11.869 4.850 ( 1.721 6.123 -0.571) 6.386 4.908 ( -1.702 -2.741 5.913) 6.736 5.020 ( -6.886 2.019 5.688) 9.157 5.121 ( -6.395 2.302 1.038) 6.875 5.174 ( -15.713 0.918 2.510) 15.939 5.219 ( -4.966 0.484 7.787) 9.248 5.293 ( -10.247 4.027 -0.915) 11.048 5.345 ( 3.199 0.963 5.121) 6.115 5.526 ( -2.292 0.238 -5.525) 5.986 5.678 ( 2.017 0.815 2.445) 3.272 6.020 ( 4.123 -0.375 -5.112) 6.578 6.068 ( 3.355 0.319 -2.119) 3.981 6.117 ( -1.988 -4.099 -4.128) 6.148 6.357 ( 6.828 -0.199 -0.789) 6.877 6.491 ( 4.677 -3.207 -0.709) 5.715 6.526 ( 1.393 -1.576 -6.004) 6.362 6.581 ( -0.094 0.315 5.618) 5.628 6.759 ( 5.047 1.796 1.448) 5.549 6.817 ( 3.377 -0.322 5.200) 6.209 6.992 ( -3.448 -7.032 -1.675) 8.009 7.037 ( 1.751 -0.600 6.517) 6.775 7.098 ( 2.162 -1.622 1.522) 3.102 7.306 ( 2.735 1.678 -1.380) 3.493 7.412 ( -5.968 -0.666 8.448) 10.364 7.503 ( -2.605 2.633 4.041) 5.481 7.510 ( 2.175 1.748 8.430) 8.880 7.601 ( -2.096 0.359 6.236) 6.589 7.739 ( 0.919 8.206 5.878) 10.135 7.804 ( 5.619 9.793 -3.542) 11.833 7.843 ( -5.577 6.050 4.769) 9.511 7.976 ( -1.402 3.191 1.792) 3.919 8.169 ( -12.269 0.094 -2.411) 12.504 8.331 ( -5.166 2.257 -2.426) 6.137 8.542 ( 2.182 0.813 -1.137) 2.592 8.699 ( -8.939 3.679 1.311) 9.755 8.741 ( -8.071 1.741 -2.656) 8.674 8.857 ( 1.130 -0.658 -2.328) 2.670 9.097 ( -0.852 -6.299 -4.253) 7.648 9.255 ( -1.342 -2.488 -4.287) 5.135 9.338 ( -1.975 -3.871 -0.713) 4.404 9.418 ( -1.146 -2.501 3.606) 4.535 9.553 ( 3.247 -2.884 -0.778) 4.411 9.716 ( 4.969 -5.223 -0.213) 7.212 9.763 ( 2.292 -2.511 3.086) 4.592 9.985 ( 0.209 -4.354 -3.032) 5.310 10.111 ( 0.979 2.375 1.910) 3.201 10.282 ( 2.253 1.566 -9.312) 9.707 10.288 ( 3.000 -4.675 -7.170) 9.070 10.382 ( -4.828 0.240 -1.933) 5.206 10.717 ( 3.230 0.743 -0.345) 3.332 10.957 ( 5.819 -1.639 -3.951) 7.222 11.086 ( 4.126 1.399 -0.238) 4.363 11.134 ( -0.599 -7.129 0.264) 7.159 11.319 ( -5.330 -1.542 4.669) 7.251 11.594 ( 5.661 -0.402 -1.471) 5.862 11.714 ( 2.213 2.274 -2.418) 3.989 12.124 ( -6.290 1.217 6.352) 9.022 12.350 ( 5.844 5.927 -5.544) 10.001 12.716 ( -3.370 -5.583 4.201) 7.757 12.759 ( 7.483 1.383 -6.331) 9.899 13.063 ( 0.620 -3.900 3.940) 5.578 13.109 ( -0.436 -6.182 7.917) 10.055 13.218 ( -3.609 -5.325 -2.806) 7.018 13.430 ( 3.677 -2.254 -1.802) 4.674 14.760 ( -5.555 6.765 -1.685) 8.915 15.793 ( 16.385 3.266 -8.729) 18.850 15.933 ( -1.164 -17.319 1.078) 17.392 16.117 ( -0.409 0.236 -0.338) 0.580 16.202 ( 0.173 -0.784 2.969) 3.075 16.207 ( 4.643 -9.029 -3.399) 10.706 16.709 ( -2.721 14.723 1.278) 15.027 17.001 ( -14.196 4.712 8.241) 17.078 17.309 ( 12.633 22.374 -5.836) 26.349 17.397 ( -1.550 -1.377 5.986) 6.335 17.942 ( -11.368 -10.573 -3.103) 15.832 18.983 ( 10.451 -12.112 -4.799) 16.702 21.422 ( -1.078 1.280 1.071) 1.987 21.463 ( -0.990 0.720 -0.012) 1.224 21.522 ( -1.320 1.444 1.539) 2.490 21.573 ( -3.116 2.671 -0.631) 4.152 21.717 ( 3.097 -0.657 -1.289) 3.419 21.838 ( -0.668 -0.861 1.013) 1.488 22.251 ( 0.007 -2.023 -3.801) 4.306 22.366 ( 0.538 -2.563 -4.164) 4.919 22.439 ( -1.134 -5.811 1.286) 6.059 22.460 ( -0.078 -3.791 -1.158) 3.965 22.847 ( -4.602 10.597 5.208) 12.673 23.206 ( 3.055 5.076 2.846) 6.573 ======================= Grid point 143 (74/112) ======================= q-point: (-0.11 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -3.659 24.571 5.251) 25.391 1.152 ( -12.556 14.468 20.764) 28.251 1.392 ( 2.560 8.826 -11.154) 14.452 1.796 ( 15.798 2.491 -4.876) 16.720 2.028 ( -10.526 25.359 25.124) 37.217 2.295 ( -7.085 -7.510 -15.323) 18.476 2.429 ( 1.641 2.428 -8.643) 9.127 2.497 ( 1.391 -3.671 -8.314) 9.195 2.590 ( 2.965 -0.202 -10.547) 10.958 2.699 ( 5.516 1.432 -8.748) 10.440 2.759 ( -0.927 0.908 6.278) 6.410 2.869 ( 6.822 -8.340 0.122) 10.775 2.967 ( 7.100 -6.470 -9.230) 13.322 3.078 ( 10.173 -5.775 0.010) 11.698 3.143 ( 2.769 -2.743 -0.318) 3.911 3.156 ( 1.908 -2.577 -3.527) 4.767 3.247 ( -1.319 1.682 1.255) 2.479 3.405 ( 3.117 0.268 -2.337) 3.905 3.477 ( -4.045 -1.583 -2.784) 5.160 3.506 ( -1.683 -4.126 -1.422) 4.677 3.595 ( 8.406 0.400 -4.009) 9.322 3.685 ( 2.829 -0.236 4.009) 4.912 3.760 ( 0.023 2.488 -5.296) 5.851 3.968 ( 3.124 2.581 1.697) 4.393 4.062 ( 1.125 4.025 -7.190) 8.316 4.180 ( -3.481 5.425 -2.974) 7.098 4.291 ( 0.040 2.592 4.297) 5.018 4.320 ( -1.190 3.702 2.711) 4.740 4.445 ( -5.379 0.884 -0.442) 5.469 4.554 ( -8.392 -1.222 3.611) 9.217 4.608 ( -3.646 7.933 1.469) 8.853 4.707 ( 0.125 6.102 8.737) 10.657 4.856 ( -0.537 3.843 -1.896) 4.318 4.886 ( -7.461 5.572 4.821) 10.486 4.946 ( -11.554 2.694 -0.054) 11.864 5.037 ( -7.403 0.211 1.766) 7.613 5.080 ( -5.153 -2.931 6.666) 8.921 5.175 ( -0.295 8.583 0.074) 8.588 5.328 ( -0.070 -1.682 8.516) 8.680 5.470 ( -2.683 -2.062 5.920) 6.819 5.497 ( 2.803 -0.999 -1.159) 3.193 5.741 ( 3.829 3.868 1.480) 5.640 5.975 ( -0.567 -1.475 -3.155) 3.528 6.042 ( 2.034 -2.091 -2.659) 3.947 6.117 ( 5.998 1.468 -3.509) 7.102 6.327 ( -2.872 0.612 -5.271) 6.033 6.437 ( 5.133 -1.486 -6.919) 8.742 6.560 ( 1.679 -2.142 -7.584) 8.058 6.676 ( -1.563 -3.364 3.532) 5.122 6.757 ( 0.366 -2.435 2.108) 3.241 6.889 ( -1.225 -2.835 1.872) 3.611 6.971 ( 4.573 -4.746 4.483) 7.971 7.146 ( -0.080 -0.824 4.148) 4.230 7.261 ( -0.818 -2.341 11.966) 12.221 7.342 ( 1.485 -1.447 0.249) 2.088 7.424 ( -2.874 -2.483 3.934) 5.469 7.526 ( -5.669 1.190 9.601) 11.213 7.589 ( -4.312 1.638 14.110) 14.845 7.741 ( 7.520 2.566 3.487) 8.677 7.799 ( -1.419 7.056 1.792) 7.417 7.860 ( 3.365 13.723 1.913) 14.259 7.894 ( -3.288 7.562 8.488) 11.834 8.004 ( -0.178 3.858 0.360) 3.879 8.112 ( 3.070 -0.725 7.527) 8.161 8.239 ( -1.128 4.221 -2.433) 5.000 8.501 ( -6.967 0.643 -3.624) 7.880 8.541 ( -7.242 0.384 -4.792) 8.693 8.612 ( -6.417 4.191 2.091) 7.944 8.835 ( 1.395 -1.500 -4.165) 4.642 9.038 ( 0.213 -1.421 -4.500) 4.724 9.192 ( 2.642 1.251 -4.693) 5.529 9.287 ( -5.012 -5.801 -2.671) 8.118 9.419 ( 0.439 -1.669 -0.025) 1.726 9.619 ( 6.343 -2.901 -0.110) 6.976 9.738 ( -0.098 -6.823 -1.265) 6.940 9.830 ( 0.948 -2.738 3.672) 4.678 9.926 ( -2.739 -4.343 -2.932) 5.913 10.132 ( -3.058 -1.360 4.145) 5.327 10.188 ( 2.325 2.611 -5.955) 6.905 10.301 ( 1.199 -4.562 0.367) 4.731 10.352 ( 11.880 1.658 -7.191) 13.985 10.772 ( 3.722 1.411 -0.349) 3.996 10.980 ( 3.851 -1.873 -2.152) 4.793 11.084 ( -3.775 -7.574 -2.361) 8.786 11.127 ( 3.401 3.858 -2.161) 5.579 11.250 ( -8.527 -2.291 0.660) 8.854 11.650 ( 3.551 -0.546 -1.087) 3.754 11.707 ( 2.479 3.293 -2.721) 4.939 12.116 ( -6.956 0.121 5.915) 9.131 12.378 ( 7.060 5.810 -3.871) 9.929 12.707 ( -1.023 -5.060 1.604) 5.406 12.787 ( 5.210 1.899 -3.178) 6.391 13.011 ( -11.889 -6.845 -2.634) 13.969 13.116 ( -2.879 -2.183 1.519) 3.920 13.209 ( 2.246 -7.172 -0.267) 7.520 13.421 ( 0.577 -2.026 -4.487) 4.957 14.747 ( 0.761 6.282 4.487) 7.757 15.700 ( 2.017 2.082 -18.843) 19.064 15.940 ( -0.631 -17.292 1.507) 17.368 16.091 ( -0.306 -9.076 -1.439) 9.194 16.300 ( 8.989 -0.604 1.458) 9.127 16.343 ( 7.745 -0.752 4.183) 8.835 16.709 ( -1.309 14.532 2.947) 14.885 16.968 ( -11.377 4.904 13.292) 18.171 17.314 ( 5.723 21.991 -11.605) 25.515 17.374 ( -6.267 -0.014 -1.435) 6.429 17.923 ( 0.209 -11.279 11.582) 16.169 18.974 ( 4.464 -12.046 -11.368) 17.154 21.424 ( -0.826 1.105 0.993) 1.700 21.443 ( -1.217 0.879 -0.389) 1.551 21.531 ( -0.876 1.397 1.869) 2.493 21.555 ( -0.338 2.862 1.653) 3.322 21.722 ( 1.373 -0.550 -2.753) 3.125 21.832 ( -1.246 -0.871 0.038) 1.521 22.269 ( 4.440 0.717 1.571) 4.764 22.350 ( 4.072 -1.077 -2.259) 4.779 22.417 ( -2.618 -7.220 0.292) 7.686 22.458 ( -0.604 -5.778 0.309) 5.817 22.870 ( -3.438 10.004 6.212) 12.268 23.211 ( -1.828 5.297 -2.841) 6.282 ======================= Grid point 144 (75/112) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 1.867 21.917 3.310) 22.244 1.498 ( -3.310 18.036 -4.751) 18.942 1.619 ( -5.281 9.048 15.511) 18.718 1.909 ( -6.844 -4.293 -2.589) 8.484 1.962 ( 10.796 2.858 -4.353) 11.986 2.258 ( 2.618 0.534 -12.504) 12.786 2.420 ( 0.081 0.937 -6.047) 6.120 2.429 ( -5.019 1.375 -3.479) 6.260 2.473 ( 7.585 -6.685 -8.395) 13.142 2.623 ( -1.045 -2.902 -8.502) 9.044 2.778 ( 1.614 -1.658 -1.073) 2.551 2.809 ( 1.682 -8.140 1.226) 8.402 2.864 ( 3.035 -3.476 -6.105) 7.653 3.009 ( 1.243 -4.197 -3.908) 5.868 3.127 ( -0.558 1.608 -0.747) 1.858 3.195 ( -4.341 -5.313 -1.303) 6.983 3.210 ( -1.007 0.662 0.250) 1.231 3.272 ( 1.471 -5.847 -3.896) 7.178 3.432 ( -1.313 3.200 3.659) 5.035 3.532 ( -1.258 5.768 -1.162) 6.017 3.619 ( -3.894 -3.338 -0.025) 5.129 3.730 ( 3.520 0.168 0.430) 3.550 3.800 ( -1.940 4.272 8.134) 9.390 3.997 ( -8.140 2.453 4.708) 9.717 4.055 ( -5.809 5.597 2.498) 8.445 4.193 ( -0.519 -1.410 -3.761) 4.050 4.256 ( 15.132 1.249 -4.092) 15.726 4.377 ( 0.356 -3.813 8.378) 9.212 4.514 ( 3.451 6.179 0.284) 7.083 4.597 ( -2.694 3.715 -4.634) 6.521 4.785 ( 0.650 6.847 -2.013) 7.167 4.799 ( 0.237 3.072 2.837) 4.188 4.849 ( -4.644 -0.130 -0.907) 4.734 4.944 ( 1.040 1.964 4.315) 4.854 4.972 ( 0.534 6.488 -2.307) 6.907 5.125 ( -3.770 8.147 -2.084) 9.216 5.224 ( 2.563 10.491 6.388) 12.547 5.318 ( -0.404 -0.781 0.001) 0.879 5.391 ( 0.444 2.997 0.354) 3.050 5.465 ( -1.081 5.337 0.784) 5.502 5.577 ( 1.152 2.073 8.398) 8.726 5.806 ( 1.606 -8.107 0.315) 8.271 5.926 ( 0.980 -1.633 6.788) 7.050 6.082 ( -1.556 1.089 2.707) 3.307 6.116 ( 1.153 -0.908 -1.442) 2.057 6.199 ( -4.186 -9.329 -0.012) 10.226 6.371 ( 2.095 4.642 -3.559) 6.213 6.477 ( -1.262 4.655 -9.233) 10.416 6.613 ( 0.779 -2.074 -2.307) 3.198 6.662 ( 5.109 -7.204 -0.923) 8.880 6.777 ( -2.153 -5.914 3.134) 7.031 6.869 ( -0.976 -9.603 -0.240) 9.655 7.228 ( -2.504 -1.063 -1.153) 2.955 7.285 ( 1.407 -2.547 -3.093) 4.246 7.358 ( -0.206 5.574 9.894) 11.357 7.470 ( 0.657 -0.970 10.103) 10.171 7.610 ( 1.163 4.426 5.659) 7.277 7.805 ( -1.793 0.914 0.367) 2.046 7.837 ( -9.069 0.897 8.047) 12.158 7.910 ( -2.637 -2.882 15.593) 16.075 8.055 ( 1.843 1.612 4.638) 5.244 8.174 ( 5.990 -1.070 2.935) 6.755 8.222 ( -1.408 11.445 3.818) 12.147 8.318 ( 0.007 3.906 2.257) 4.511 8.362 ( 0.152 9.176 -4.164) 10.077 8.425 ( 6.382 7.026 3.192) 10.014 8.496 ( 2.934 2.543 1.494) 4.160 8.609 ( -7.251 4.791 -0.405) 8.700 8.832 ( 5.922 2.063 -4.069) 7.475 9.031 ( 2.670 0.699 -4.742) 5.487 9.070 ( -1.828 -2.653 -7.505) 8.168 9.145 ( 0.815 -1.523 -4.367) 4.696 9.418 ( -0.522 -0.620 2.787) 2.902 9.519 ( -1.445 -7.743 -2.197) 8.177 9.566 ( 0.894 -7.855 -0.402) 7.916 9.669 ( -4.693 -10.496 -3.318) 11.966 9.852 ( -0.075 -0.267 3.788) 3.798 10.005 ( -7.509 -5.392 5.131) 10.573 10.188 ( 2.921 3.607 -9.268) 10.365 10.315 ( 9.111 -2.972 -5.481) 11.040 10.463 ( 6.850 1.958 0.566) 7.147 10.730 ( -2.394 -6.031 -1.223) 6.603 10.811 ( -5.745 -1.519 -3.896) 7.106 10.976 ( 4.686 -5.880 -4.030) 8.531 11.180 ( -3.697 3.169 4.022) 6.316 11.239 ( 2.881 3.184 1.108) 4.434 11.640 ( -0.516 0.739 -2.217) 2.393 11.754 ( 3.889 -0.803 -5.595) 6.861 12.163 ( -6.149 6.441 7.967) 11.948 12.494 ( 1.252 0.734 -3.894) 4.156 12.624 ( 2.384 -4.284 2.736) 5.614 12.737 ( -9.344 0.437 0.007) 9.354 12.908 ( 6.052 -0.548 0.209) 6.080 13.058 ( -2.203 -2.227 1.538) 3.489 13.094 ( -0.178 -2.059 -2.845) 3.516 13.281 ( -0.979 -4.394 -5.444) 7.064 15.021 ( 2.864 9.425 6.584) 11.848 15.459 ( -3.013 -2.351 -12.568) 13.136 15.644 ( -0.774 -9.531 -0.936) 9.608 15.801 ( -2.855 -9.368 -6.936) 12.001 16.419 ( 2.953 0.248 0.054) 2.964 16.428 ( 2.416 -0.217 -0.287) 2.442 17.047 ( -1.373 12.023 7.000) 13.980 17.206 ( 0.165 9.717 10.228) 14.109 17.301 ( -0.184 -1.628 2.132) 2.689 17.593 ( 0.282 15.195 -16.257) 22.254 17.867 ( 0.561 -10.182 17.317) 20.096 18.490 ( -0.936 -18.483 -13.970) 23.187 21.453 ( 0.021 1.249 -0.089) 1.253 21.457 ( 0.753 1.107 0.077) 1.341 21.581 ( -0.415 1.905 1.562) 2.499 21.624 ( 0.314 0.512 0.794) 0.995 21.730 ( 0.309 2.221 1.459) 2.675 21.800 ( -0.663 -0.502 0.127) 0.841 22.246 ( -1.300 -4.301 -2.433) 5.109 22.277 ( 0.497 -4.934 -3.244) 5.925 22.366 ( 1.576 0.416 1.095) 1.964 22.395 ( -0.497 -0.603 -0.020) 0.782 23.115 ( 0.435 7.357 5.217) 9.030 23.239 ( -0.200 1.943 -0.680) 2.068 ======================= Grid point 145 (76/112) ======================= q-point: ( 0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -8.885 20.959 -0.435) 22.769 1.464 ( -2.364 19.139 -1.994) 19.387 1.694 ( -13.088 3.698 6.602) 15.118 1.851 ( -4.230 -1.052 4.922) 6.575 2.023 ( 3.556 2.892 -0.242) 4.590 2.098 ( -5.236 7.066 -5.010) 10.122 2.246 ( -8.175 1.559 3.291) 8.950 2.377 ( -1.142 -4.244 -7.432) 8.634 2.455 ( 4.748 -4.101 -10.648) 12.359 2.528 ( 3.634 -3.982 -2.404) 5.903 2.740 ( -3.967 -6.070 -4.050) 8.305 2.810 ( -1.343 -14.737 -3.738) 15.262 2.870 ( 0.474 -0.588 4.616) 4.678 2.960 ( 0.973 -3.769 -5.999) 7.151 3.053 ( -8.616 -3.886 -0.978) 9.502 3.138 ( -1.420 -5.055 3.335) 6.220 3.172 ( -3.079 -0.732 -4.369) 5.395 3.262 ( -3.272 -8.333 3.247) 9.523 3.405 ( -2.258 0.535 -2.219) 3.211 3.485 ( 0.596 0.010 -0.249) 0.646 3.552 ( -10.718 -0.202 3.510) 11.280 3.747 ( -1.483 -2.570 -1.991) 3.573 3.848 ( -12.525 1.341 3.429) 13.055 3.917 ( -4.864 -0.252 4.181) 6.419 4.083 ( 5.433 16.361 14.950) 22.819 4.339 ( 10.046 7.129 -0.595) 12.333 4.401 ( 13.617 13.868 -9.738) 21.738 4.445 ( 10.458 2.885 -4.425) 11.716 4.588 ( 10.180 -0.828 3.188) 10.699 4.604 ( 10.009 4.860 -4.375) 11.955 4.762 ( -0.048 2.936 0.520) 2.982 4.825 ( 0.532 6.877 -1.491) 7.057 4.887 ( 5.046 0.922 4.744) 6.987 4.946 ( 4.516 0.397 -3.340) 5.631 5.027 ( 0.575 3.897 2.468) 4.649 5.096 ( 4.275 9.030 2.095) 10.208 5.292 ( 0.437 5.138 -1.717) 5.435 5.355 ( 1.578 -0.471 3.791) 4.134 5.383 ( 1.690 6.004 -1.170) 6.346 5.480 ( 2.430 1.459 -0.058) 2.835 5.712 ( 0.369 -2.399 7.207) 7.605 5.819 ( 1.620 -4.252 -1.300) 4.733 6.003 ( -2.799 0.931 4.421) 5.315 6.050 ( -1.760 1.582 -4.364) 4.964 6.098 ( -4.017 -1.864 1.503) 4.677 6.151 ( -2.115 -5.617 1.191) 6.118 6.342 ( -1.649 3.307 -2.368) 4.389 6.377 ( 0.805 4.802 -2.201) 5.343 6.602 ( 0.518 -2.743 -1.492) 3.165 6.711 ( 4.562 -5.930 -2.446) 7.872 6.798 ( -1.337 -6.708 2.378) 7.242 6.837 ( -3.523 -11.435 -0.779) 11.991 7.187 ( -2.042 -1.495 0.241) 2.542 7.253 ( 0.651 -3.224 -1.979) 3.839 7.462 ( -1.091 5.208 4.346) 6.870 7.618 ( -0.178 0.064 5.416) 5.419 7.681 ( -0.374 5.793 2.965) 6.519 7.735 ( 1.453 4.222 -2.296) 5.021 7.786 ( -5.490 1.085 4.531) 7.200 8.048 ( -3.935 -1.878 3.412) 5.536 8.097 ( -0.741 1.754 5.939) 6.236 8.201 ( 2.340 -1.628 -4.873) 5.646 8.261 ( 2.592 4.695 2.329) 5.846 8.365 ( 1.977 1.515 0.073) 2.492 8.445 ( -0.500 9.169 9.869) 13.480 8.470 ( 0.131 7.477 -2.296) 7.823 8.620 ( 0.224 0.004 7.379) 7.382 8.641 ( 11.923 9.878 2.206) 15.639 8.780 ( 3.536 5.565 -12.865) 14.456 8.939 ( 4.862 -2.474 -11.224) 12.479 9.060 ( 3.052 -1.543 2.613) 4.304 9.099 ( 2.708 -1.008 -4.250) 5.140 9.408 ( -6.353 -3.642 2.281) 7.670 9.486 ( -5.479 -9.515 -3.458) 11.512 9.507 ( -3.813 -5.566 4.335) 8.020 9.633 ( 1.452 -8.912 0.166) 9.031 9.916 ( 0.298 -0.543 5.152) 5.189 9.955 ( -7.727 -1.293 3.827) 8.719 10.089 ( 0.377 2.928 -8.710) 9.197 10.321 ( 2.489 -7.892 -6.340) 10.425 10.530 ( 0.957 0.484 -3.728) 3.879 10.682 ( 6.798 1.345 -2.896) 7.511 10.742 ( -7.488 -5.025 5.448) 10.536 10.978 ( 3.566 -8.130 -4.114) 9.785 11.190 ( -1.626 6.384 2.448) 7.028 11.303 ( 4.434 3.689 0.936) 5.843 11.590 ( -4.481 -0.290 0.424) 4.510 11.704 ( 0.738 -2.707 -6.227) 6.830 12.212 ( -4.528 8.571 9.507) 13.577 12.451 ( 1.921 2.151 -5.493) 6.204 12.635 ( -6.138 2.831 0.660) 6.791 12.701 ( 1.706 -8.696 4.786) 10.072 12.949 ( -1.814 -2.141 -5.355) 6.046 13.008 ( 3.337 3.048 1.695) 4.827 13.121 ( -2.607 -6.459 2.464) 7.388 13.203 ( -0.002 -4.032 -2.502) 4.745 15.172 ( 2.587 6.621 8.749) 11.272 15.220 ( -4.968 5.356 -11.067) 13.261 15.677 ( 0.157 -12.862 2.481) 13.100 15.697 ( -1.261 -13.110 -2.424) 13.392 16.390 ( -4.305 0.778 -1.486) 4.620 16.419 ( -2.322 -0.506 -1.317) 2.717 17.130 ( -2.051 12.406 8.459) 15.155 17.322 ( 2.896 9.705 -7.380) 12.532 17.346 ( 3.280 4.132 3.168) 6.154 17.420 ( 2.223 9.669 -2.781) 10.303 18.097 ( 0.819 -12.761 14.054) 19.001 18.271 ( -2.685 -15.198 -13.360) 20.412 21.460 ( 1.335 1.597 -0.106) 2.084 21.473 ( 2.009 1.030 -0.605) 2.337 21.600 ( -0.000 1.525 1.409) 2.076 21.635 ( 1.052 -0.008 -0.499) 1.165 21.766 ( 0.616 2.187 2.166) 3.139 21.788 ( 0.078 1.515 -0.993) 1.814 22.201 ( -2.478 -4.091 -0.331) 4.795 22.251 ( -0.166 -6.331 -1.396) 6.485 22.350 ( -4.646 -0.304 -0.730) 4.713 22.366 ( -2.886 -1.699 0.609) 3.404 23.209 ( 4.245 5.864 3.515) 8.048 23.240 ( 3.084 4.536 -2.132) 5.885 ======================= Grid point 146 (77/112) ======================= q-point: ( 0.22 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( -11.042 19.645 0.592) 22.543 1.340 ( -8.252 15.143 1.077) 17.279 1.530 ( -12.150 6.377 3.262) 14.105 1.854 ( -4.806 -5.983 3.816) 8.570 2.019 ( -0.956 4.930 -3.055) 5.878 2.023 ( -11.195 0.981 7.821) 13.692 2.238 ( -0.063 1.776 -1.209) 2.149 2.329 ( -1.200 2.039 -5.612) 6.090 2.335 ( -5.558 -10.385 3.786) 12.372 2.569 ( 2.195 -4.656 0.731) 5.199 2.630 ( -2.505 -8.640 -0.357) 9.003 2.719 ( -3.612 -9.803 -3.127) 10.906 2.907 ( -0.934 -0.691 -3.509) 3.696 2.932 ( -4.604 0.966 8.163) 9.421 2.960 ( -6.059 -6.321 4.520) 9.854 3.042 ( -7.686 0.054 -2.108) 7.970 3.162 ( -3.606 -1.433 2.834) 4.806 3.245 ( -6.438 -2.870 6.732) 9.747 3.375 ( 0.373 1.229 -1.112) 1.699 3.471 ( -4.826 2.028 1.907) 5.571 3.528 ( 0.760 -3.594 2.527) 4.458 3.675 ( -3.463 -3.585 -2.594) 5.619 3.763 ( -4.145 0.238 0.962) 4.262 3.895 ( -0.382 -6.580 0.365) 6.601 4.245 ( 11.334 16.239 -20.015) 28.156 4.425 ( 10.410 18.741 11.534) 24.344 4.534 ( 7.831 6.795 -0.703) 10.392 4.570 ( 9.391 7.976 -0.718) 12.342 4.665 ( 9.793 2.853 -4.632) 11.202 4.778 ( 1.308 6.974 -2.448) 7.506 4.809 ( 4.998 0.186 2.457) 5.573 4.818 ( 4.666 2.031 0.601) 5.124 4.958 ( 7.312 8.601 -2.926) 11.662 5.038 ( 6.828 -2.783 2.804) 7.889 5.151 ( 10.315 2.825 4.261) 11.512 5.233 ( 6.160 9.154 4.688) 11.988 5.287 ( 5.528 1.095 -2.628) 6.218 5.348 ( 2.043 -5.021 -6.369) 8.364 5.419 ( 3.063 1.736 -0.290) 3.533 5.559 ( 5.642 1.334 2.851) 6.461 5.724 ( -0.623 2.514 -7.731) 8.153 5.788 ( -0.631 -2.614 -2.621) 3.756 5.964 ( 0.476 -0.901 -1.524) 1.833 5.983 ( -7.546 3.938 0.483) 8.526 6.059 ( -3.615 -0.601 3.963) 5.398 6.164 ( -2.425 -3.092 2.528) 4.672 6.297 ( -3.934 1.356 0.447) 4.185 6.395 ( -0.492 1.407 2.700) 3.084 6.568 ( -0.601 -4.150 -2.864) 5.078 6.714 ( 0.801 -10.019 -3.711) 10.714 6.736 ( -8.591 -6.190 1.165) 10.653 6.804 ( -1.236 -6.004 0.924) 6.199 7.169 ( -3.040 -1.328 1.233) 3.539 7.271 ( 0.066 -4.145 3.413) 5.370 7.420 ( -3.538 8.194 -3.765) 9.687 7.609 ( -7.926 0.130 0.212) 7.930 7.621 ( -0.576 1.756 -0.496) 1.914 7.774 ( 8.498 -1.564 -6.987) 11.113 7.897 ( -0.264 10.491 5.600) 11.895 7.986 ( -2.898 3.477 2.556) 5.198 8.115 ( -1.701 2.539 -1.511) 3.409 8.257 ( 8.662 -0.129 -4.325) 9.682 8.268 ( 1.502 1.240 -3.949) 4.403 8.359 ( -1.167 -0.145 -5.638) 5.759 8.462 ( 6.569 5.237 2.259) 8.700 8.531 ( 3.735 5.522 -10.078) 12.083 8.558 ( 1.035 4.670 0.210) 4.788 8.765 ( 4.623 -0.111 2.811) 5.412 8.843 ( 1.212 -2.335 -5.862) 6.425 8.909 ( 6.127 1.957 6.396) 9.071 9.095 ( 2.736 -0.312 0.492) 2.798 9.182 ( 3.201 1.603 3.260) 4.842 9.350 ( -6.040 -7.530 -1.144) 9.721 9.381 ( 0.861 -4.894 1.456) 5.178 9.524 ( -3.049 -4.047 3.375) 6.088 9.665 ( -2.580 -5.635 4.709) 7.783 9.896 ( -8.840 1.272 4.919) 10.196 9.982 ( 3.753 -0.040 -6.714) 7.692 10.017 ( 0.352 1.230 5.344) 5.495 10.210 ( -3.660 -7.347 -6.495) 10.467 10.499 ( 5.356 -1.507 -5.253) 7.652 10.681 ( -6.226 -5.946 2.272) 8.904 10.788 ( 0.953 2.006 3.494) 4.140 10.971 ( 2.490 -6.731 -2.796) 7.702 11.188 ( -0.914 6.801 -0.621) 6.890 11.381 ( 5.919 1.208 0.047) 6.041 11.539 ( -6.586 -1.356 2.994) 7.361 11.622 ( -1.873 -3.374 -3.686) 5.337 12.272 ( -5.181 10.974 8.169) 14.629 12.415 ( 1.390 3.726 -2.478) 4.686 12.580 ( -2.318 3.445 -0.388) 4.171 12.783 ( 0.804 -10.494 1.943) 10.703 12.863 ( 0.233 -2.069 -2.045) 2.918 13.062 ( -3.777 -6.712 0.328) 7.709 13.083 ( 1.319 0.758 1.628) 2.228 13.226 ( -0.242 -4.622 2.878) 5.451 15.034 ( -3.237 8.844 -6.318) 11.341 15.330 ( 0.261 3.390 9.773) 10.347 15.635 ( -1.197 -13.319 -1.081) 13.416 15.761 ( 0.900 -11.106 5.223) 12.306 16.285 ( -5.904 1.458 -2.893) 6.734 16.342 ( -4.337 -1.052 -2.581) 5.156 17.164 ( -1.117 13.887 -3.916) 14.472 17.247 ( -2.922 13.491 6.135) 15.106 17.422 ( 4.877 1.949 -0.778) 5.309 17.499 ( 6.602 1.102 -1.147) 6.791 18.069 ( -0.691 -7.954 -10.431) 13.136 18.271 ( -1.650 -13.575 10.564) 17.280 21.489 ( 2.926 1.473 0.019) 3.276 21.496 ( 2.526 1.095 -0.721) 2.846 21.611 ( -0.156 1.392 0.121) 1.406 21.639 ( 1.609 0.218 -1.731) 2.373 21.761 ( 0.193 3.222 -1.757) 3.675 21.813 ( 0.864 0.601 1.856) 2.134 22.170 ( -3.913 -1.609 2.413) 4.871 22.210 ( -5.316 -1.199 0.153) 5.451 22.291 ( -1.041 -5.480 -0.410) 5.593 22.324 ( -3.226 -5.071 0.061) 6.011 23.256 ( 4.219 6.260 -3.255) 8.221 23.307 ( 4.489 4.055 1.316) 6.191 ======================= Grid point 147 (78/112) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -5.596 15.061 11.426) 19.716 1.340 ( -4.842 11.222 10.530) 16.132 1.547 ( 1.564 11.730 9.237) 15.012 1.783 ( -5.433 -2.525 -1.931) 6.295 1.952 ( -19.418 0.385 13.983) 23.931 2.057 ( 3.102 0.790 4.227) 5.302 2.201 ( 2.162 -7.856 0.849) 8.192 2.252 ( -5.874 -5.877 1.257) 8.404 2.337 ( 1.945 -2.304 1.444) 3.343 2.623 ( -1.100 -5.141 -2.346) 5.757 2.640 ( 0.762 -4.154 5.130) 6.645 2.684 ( -0.177 -3.670 3.950) 5.394 2.796 ( -8.627 -1.725 -2.220) 9.074 2.871 ( -9.863 -2.889 0.472) 10.288 2.999 ( -2.703 1.086 8.678) 9.154 3.037 ( -2.695 -4.428 9.300) 10.647 3.140 ( -7.288 1.607 5.898) 9.512 3.263 ( -0.140 0.504 1.521) 1.608 3.362 ( -1.171 4.846 0.118) 4.987 3.478 ( -0.693 3.132 2.080) 3.823 3.550 ( 0.953 -3.794 1.470) 4.179 3.610 ( -3.218 -4.145 0.092) 5.248 3.739 ( 1.322 -4.137 -2.443) 4.983 3.916 ( -0.524 -7.718 1.842) 7.952 4.149 ( 14.367 16.001 -20.227) 29.522 4.554 ( -1.464 17.353 0.922) 17.439 4.597 ( 7.508 7.794 -5.072) 11.952 4.662 ( 10.075 4.428 -8.631) 13.986 4.744 ( -1.663 4.767 0.207) 5.053 4.785 ( 6.225 7.385 -0.311) 9.664 4.811 ( 5.916 2.311 -7.732) 10.006 4.840 ( -1.656 2.613 0.725) 3.177 5.006 ( 2.997 5.921 -3.537) 7.520 5.149 ( 0.706 10.069 1.252) 10.171 5.264 ( 3.611 -7.785 -9.069) 12.486 5.284 ( 6.038 -4.169 -3.770) 8.249 5.348 ( 3.953 4.981 -0.634) 6.391 5.410 ( 2.974 -2.590 -4.304) 5.838 5.453 ( 10.101 4.562 1.135) 11.141 5.589 ( 6.416 3.035 -4.864) 8.604 5.689 ( 4.317 0.705 2.603) 5.090 5.805 ( -1.003 1.040 2.332) 2.743 5.838 ( -3.075 1.490 -2.600) 4.294 5.976 ( 0.397 0.166 -2.815) 2.848 6.095 ( 1.102 -1.748 3.044) 3.679 6.152 ( -4.343 -4.864 4.212) 7.763 6.272 ( -2.170 1.891 3.624) 4.628 6.398 ( -0.279 -0.807 0.991) 1.308 6.511 ( -9.748 -4.839 2.094) 11.082 6.624 ( -6.252 -8.486 3.984) 11.268 6.727 ( 1.740 -3.741 0.418) 4.147 6.821 ( 1.838 -3.698 1.672) 4.455 7.105 ( -7.626 1.209 0.017) 7.721 7.309 ( -7.097 -0.440 0.501) 7.128 7.317 ( 2.788 2.249 -4.178) 5.503 7.468 ( -2.681 -0.458 -9.935) 10.300 7.608 ( -0.372 -0.132 -2.984) 3.010 7.723 ( -1.000 -0.843 -5.906) 6.049 7.866 ( -2.130 13.454 -1.512) 13.705 8.033 ( 2.417 0.857 -3.884) 4.654 8.057 ( 0.746 1.037 -6.918) 7.035 8.172 ( 4.346 4.071 -3.785) 7.056 8.254 ( -0.443 3.960 -2.423) 4.663 8.401 ( 4.668 2.770 -3.704) 6.571 8.408 ( 1.556 3.194 -9.406) 10.055 8.530 ( 2.118 4.664 -0.894) 5.200 8.658 ( 8.764 -5.754 3.301) 10.992 8.840 ( 2.086 -5.396 1.194) 5.907 8.860 ( 2.124 3.647 2.850) 5.092 8.986 ( -0.206 -4.980 0.522) 5.011 9.140 ( -2.331 1.545 5.171) 5.879 9.253 ( 3.548 0.735 2.748) 4.548 9.326 ( -0.351 -3.086 3.903) 4.988 9.471 ( 6.954 -5.736 -0.291) 9.019 9.542 ( 2.382 -0.044 0.954) 2.566 9.658 ( -8.512 -2.503 5.716) 10.554 9.843 ( -4.805 -1.330 2.549) 5.600 9.989 ( 3.013 4.816 0.001) 5.681 10.094 ( 2.928 -8.823 -0.682) 9.321 10.122 ( -2.163 1.005 2.517) 3.467 10.523 ( 3.326 -4.497 -0.771) 5.647 10.625 ( -3.688 -4.627 0.722) 5.961 10.794 ( -2.662 1.756 -0.001) 3.189 10.960 ( -1.205 -6.363 -1.285) 6.602 11.158 ( 0.595 5.983 -2.371) 6.463 11.460 ( -2.422 1.772 3.553) 4.651 11.466 ( 2.118 -5.449 -4.867) 7.607 11.584 ( -3.714 -2.071 3.045) 5.230 12.281 ( -5.965 11.722 5.264) 14.167 12.427 ( 1.135 5.468 1.115) 5.695 12.553 ( -1.093 3.291 -0.712) 3.540 12.766 ( 3.043 -7.083 -4.145) 8.753 12.908 ( -0.437 -5.933 4.233) 7.301 13.035 ( -1.290 -7.177 2.246) 7.630 13.114 ( -1.175 0.085 2.087) 2.396 13.239 ( -2.326 -5.188 1.593) 5.904 14.976 ( 1.618 10.604 -0.201) 10.728 15.427 ( -4.072 0.861 8.178) 9.176 15.619 ( -1.140 -11.463 0.299) 11.523 15.825 ( -2.579 -10.118 4.528) 11.381 16.182 ( -2.200 1.789 -2.564) 3.823 16.257 ( -1.768 -1.485 -2.754) 3.594 17.118 ( 2.961 13.447 -3.112) 14.117 17.292 ( -8.549 15.767 9.393) 20.246 17.459 ( 5.538 -0.561 -4.013) 6.862 17.534 ( 3.927 -3.032 -4.264) 6.542 17.987 ( 5.265 -1.857 -5.409) 7.773 18.340 ( -5.962 -14.234 7.010) 16.950 21.519 ( 2.264 1.211 -1.090) 2.789 21.524 ( 2.627 1.083 -1.595) 3.259 21.608 ( 0.573 1.379 -0.093) 1.496 21.632 ( 0.861 0.394 -1.718) 1.962 21.741 ( 0.144 3.864 -1.282) 4.074 21.842 ( 0.694 -0.532 0.658) 1.094 22.140 ( -4.591 0.128 1.369) 4.793 22.169 ( -3.632 -0.233 4.645) 5.901 22.290 ( -1.392 -6.329 1.156) 6.583 22.307 ( 0.647 -6.704 1.470) 6.893 23.259 ( 3.651 7.064 -4.531) 9.152 23.349 ( 1.769 3.016 -1.817) 3.940 ======================= Grid point 148 (79/112) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 1.752 13.503 16.539) 21.423 1.459 ( -2.276 13.961 10.918) 17.869 1.674 ( -4.089 15.119 2.929) 15.934 1.794 ( 8.408 0.856 10.140) 13.201 1.974 ( -8.435 0.547 18.709) 20.530 2.089 ( -3.363 -1.070 2.252) 4.186 2.231 ( 5.112 -3.517 -0.181) 6.208 2.361 ( 4.629 -2.982 0.869) 5.574 2.398 ( 2.089 -9.520 3.199) 10.258 2.573 ( -3.859 -6.504 -1.503) 7.711 2.609 ( -6.659 -6.912 1.875) 9.779 2.696 ( -8.588 -1.911 10.816) 13.943 2.809 ( 4.183 -2.990 10.017) 11.259 2.860 ( 4.125 -5.081 4.753) 8.089 3.064 ( -1.144 4.114 2.463) 4.930 3.088 ( -6.700 -0.977 7.857) 10.372 3.179 ( 1.124 -2.990 6.622) 7.352 3.256 ( -2.128 -1.408 -0.234) 2.562 3.360 ( 0.411 5.421 -0.900) 5.511 3.490 ( 1.778 0.631 1.788) 2.599 3.575 ( -1.128 -5.520 -1.758) 5.902 3.598 ( -1.169 -4.308 1.596) 4.741 3.730 ( 0.336 -1.950 1.278) 2.355 3.890 ( -5.190 -5.335 0.036) 7.443 4.118 ( 13.908 14.880 -11.550) 23.415 4.399 ( -11.198 16.692 -8.891) 21.979 4.599 ( 5.851 3.528 -14.215) 15.772 4.622 ( 5.485 5.478 -10.835) 13.323 4.695 ( -0.579 6.043 -11.371) 12.890 4.750 ( -3.197 6.335 1.665) 7.288 4.811 ( 4.662 5.239 -0.712) 7.049 4.869 ( 1.367 2.302 -2.207) 3.469 4.901 ( -3.285 1.537 -7.186) 8.049 5.125 ( 3.316 9.395 -2.069) 10.176 5.195 ( -2.138 -5.789 -6.618) 9.049 5.264 ( -4.539 7.182 -7.053) 11.042 5.311 ( 4.917 0.667 -4.446) 6.662 5.397 ( -0.278 5.511 -1.798) 5.804 5.443 ( -0.034 -1.771 -0.927) 2.000 5.716 ( -0.459 -2.482 -0.019) 2.525 5.756 ( -0.073 0.870 0.288) 0.920 5.806 ( 9.068 -1.006 1.250) 9.209 5.926 ( 0.552 -0.360 1.577) 1.709 5.946 ( 4.088 0.602 3.277) 5.274 6.080 ( -1.774 -7.471 -0.775) 7.718 6.228 ( 2.529 -1.379 3.077) 4.215 6.334 ( -1.341 3.436 6.313) 7.311 6.386 ( -3.753 -0.716 1.574) 4.132 6.494 ( 2.903 -0.950 7.078) 7.709 6.630 ( -2.930 -7.320 3.893) 8.793 6.764 ( 3.758 0.028 -1.690) 4.120 6.904 ( 3.946 -3.087 4.708) 6.875 6.988 ( -6.860 3.634 -1.489) 7.905 7.164 ( -2.549 -0.559 -11.411) 11.705 7.234 ( -2.953 -2.176 -12.615) 13.138 7.272 ( -4.341 -2.256 -4.211) 6.455 7.572 ( 0.301 -0.662 -1.449) 1.622 7.652 ( -1.747 2.740 -2.104) 3.871 7.806 ( -5.459 10.745 -0.074) 12.052 7.948 ( 2.875 5.387 -5.221) 8.034 8.065 ( 2.043 -1.787 -1.343) 3.028 8.128 ( 0.360 -0.181 -12.428) 12.434 8.219 ( 1.785 7.577 -4.031) 8.767 8.298 ( 0.027 8.357 0.761) 8.392 8.456 ( 3.998 -0.089 -1.994) 4.468 8.583 ( 2.995 3.855 1.231) 5.034 8.720 ( 0.405 -5.548 -1.364) 5.728 8.852 ( -4.525 0.261 2.324) 5.093 8.937 ( 5.565 -6.599 0.139) 8.633 8.993 ( 2.011 -9.101 -0.961) 9.370 9.201 ( -0.484 2.987 7.436) 8.028 9.323 ( -0.314 -2.057 2.874) 3.548 9.416 ( 3.595 2.700 3.798) 5.885 9.510 ( 0.138 -5.335 0.261) 5.344 9.549 ( -7.480 -0.697 3.518) 8.296 9.679 ( 7.945 -2.369 0.224) 8.293 9.867 ( -0.664 -1.272 5.457) 5.642 9.997 ( -4.359 4.881 -0.226) 6.548 10.101 ( 1.245 0.132 0.320) 1.292 10.180 ( 5.769 -5.750 -0.221) 8.148 10.528 ( -6.968 -2.443 5.511) 9.213 10.659 ( 8.685 -4.566 -0.442) 9.822 10.754 ( 0.637 -1.509 -2.732) 3.186 10.887 ( -5.229 -6.140 -2.313) 8.390 11.165 ( 3.027 5.198 -0.399) 6.028 11.354 ( -6.046 0.288 -2.287) 6.470 11.541 ( 5.804 -3.665 -0.105) 6.865 11.572 ( -4.365 -2.187 3.004) 5.733 12.271 ( -5.327 10.840 4.767) 12.985 12.461 ( -0.547 5.390 3.153) 6.269 12.530 ( 0.973 2.872 -2.464) 3.907 12.765 ( 4.104 -6.206 -4.174) 8.531 12.941 ( -2.352 -3.865 3.984) 6.028 13.066 ( -0.927 -5.112 2.540) 5.783 13.120 ( -1.701 -2.548 2.736) 4.107 13.220 ( -1.181 -5.001 0.190) 5.142 15.074 ( 7.420 9.685 5.254) 13.284 15.415 ( -10.691 6.055 3.601) 12.804 15.623 ( 2.123 -15.197 1.033) 15.380 15.792 ( -6.454 -11.111 0.548) 12.861 16.177 ( 2.578 1.332 0.381) 2.926 16.235 ( 2.000 -1.245 -1.200) 2.644 17.167 ( 7.144 13.087 -0.137) 14.911 17.250 ( -10.517 14.393 4.446) 18.372 17.467 ( 3.874 2.529 -4.459) 6.426 17.498 ( -0.343 1.724 -4.503) 4.833 18.069 ( 10.317 -7.674 1.092) 12.905 18.296 ( -9.866 -14.588 2.509) 17.789 21.510 ( 0.923 1.549 -2.722) 3.265 21.524 ( 1.178 0.954 -2.260) 2.721 21.611 ( 0.429 0.837 -0.788) 1.227 21.621 ( -1.279 0.507 -0.058) 1.377 21.751 ( 2.183 3.566 0.720) 4.243 21.843 ( -0.685 -0.022 -0.760) 1.023 22.131 ( -0.442 -2.860 2.219) 3.647 22.184 ( -1.799 -4.508 2.105) 5.291 22.319 ( -0.447 -2.213 5.465) 5.913 22.358 ( 0.949 -3.894 4.132) 5.756 23.234 ( 2.704 6.842 -5.305) 9.070 23.303 ( -1.569 3.703 -5.047) 6.454 ======================= Grid point 149 (80/112) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -7.939 18.631 5.805) 21.068 1.588 ( -0.865 16.449 8.811) 18.680 1.700 ( -9.363 7.926 5.949) 13.633 2.001 ( -2.016 3.226 0.004) 3.804 2.069 ( 9.463 1.382 6.158) 11.375 2.179 ( 1.834 -2.144 13.465) 13.758 2.313 ( 8.357 -0.258 -8.609) 12.001 2.410 ( 5.498 -7.443 -2.877) 9.690 2.438 ( 3.367 -3.838 6.022) 7.895 2.545 ( 2.500 1.869 2.974) 4.311 2.591 ( -4.670 -9.839 6.978) 12.935 2.858 ( 0.825 -7.950 13.444) 15.641 2.969 ( 5.391 -1.210 -0.553) 5.553 3.001 ( 0.501 -2.126 -1.985) 2.952 3.054 ( 1.805 3.248 2.015) 4.227 3.127 ( -1.908 -0.366 8.241) 8.467 3.253 ( -0.342 -4.556 5.482) 7.136 3.306 ( 4.583 -0.247 4.901) 6.714 3.335 ( 2.462 -2.834 -3.723) 5.287 3.484 ( -0.777 -7.749 -5.009) 9.260 3.574 ( -3.631 0.009 2.011) 4.151 3.584 ( 2.421 -0.331 0.882) 2.598 3.766 ( -3.019 -0.440 4.091) 5.103 3.881 ( -2.417 -3.148 12.932) 13.528 4.082 ( -15.058 17.387 -6.301) 23.849 4.205 ( 10.087 12.126 -4.094) 16.296 4.392 ( -2.084 0.318 -17.952) 18.076 4.427 ( 4.505 7.449 -20.816) 22.563 4.609 ( -1.768 3.916 -2.834) 5.147 4.672 ( -1.663 3.596 -8.531) 9.406 4.738 ( -3.378 -2.047 1.438) 4.204 4.894 ( 2.892 0.173 2.411) 3.769 4.953 ( 6.384 8.617 -1.903) 10.892 5.040 ( -3.222 -4.469 -6.467) 8.496 5.101 ( -6.038 8.067 -4.523) 11.045 5.160 ( 4.074 11.701 -0.705) 12.410 5.297 ( -8.417 2.194 -2.371) 9.015 5.348 ( 0.857 3.951 2.399) 4.701 5.470 ( -1.660 -0.459 2.555) 3.081 5.655 ( -2.116 -2.129 -4.283) 5.231 5.750 ( -6.112 3.454 3.457) 7.826 5.850 ( -3.003 -3.376 1.656) 4.812 5.941 ( 1.438 -7.780 1.431) 8.040 6.020 ( 1.529 -1.263 -4.322) 4.755 6.091 ( -2.132 -1.345 5.815) 6.337 6.231 ( 0.510 -0.239 -3.503) 3.548 6.351 ( -2.657 1.933 4.769) 5.791 6.495 ( 9.525 3.968 1.346) 10.406 6.611 ( 1.266 -0.728 -2.451) 2.853 6.659 ( 2.933 -4.563 5.362) 7.627 6.720 ( 3.940 1.960 -10.053) 10.974 6.871 ( -2.689 -4.046 -11.930) 12.881 6.999 ( -1.115 0.527 3.333) 3.554 7.056 ( 2.135 0.070 5.557) 5.954 7.122 ( -1.969 -6.569 0.456) 6.873 7.192 ( 3.753 -2.112 -3.065) 5.286 7.534 ( -5.500 7.266 0.956) 9.163 7.641 ( 0.084 2.531 2.142) 3.317 7.733 ( -2.268 4.928 -1.757) 5.702 7.889 ( -3.427 2.794 -8.408) 9.500 8.019 ( 1.723 2.965 -3.596) 4.969 8.049 ( -1.625 3.640 0.373) 4.004 8.174 ( -0.976 11.012 -3.238) 11.520 8.329 ( 5.673 6.425 -2.445) 8.913 8.472 ( -3.425 -5.943 2.078) 7.167 8.578 ( 0.745 -1.007 -4.104) 4.291 8.731 ( -4.330 -4.343 4.684) 7.717 8.818 ( 1.014 8.117 -0.509) 8.196 8.975 ( 2.873 -7.153 -2.462) 8.092 9.018 ( 4.784 -11.503 -2.485) 12.704 9.280 ( -3.236 -1.597 4.214) 5.548 9.312 ( -5.136 -0.511 2.761) 5.853 9.474 ( -3.214 -3.457 0.515) 4.748 9.501 ( -2.122 -1.633 -0.932) 2.835 9.532 ( 0.755 2.432 6.990) 7.440 9.790 ( -18.589 5.751 5.280) 20.162 9.798 ( 10.578 -5.558 -4.206) 12.668 10.029 ( 4.183 1.739 5.416) 7.060 10.129 ( 3.526 -1.544 -1.969) 4.324 10.261 ( 10.597 -5.837 -4.735) 12.992 10.518 ( -5.018 1.311 4.852) 7.102 10.736 ( -0.454 -6.534 -2.615) 7.053 10.776 ( 1.903 -3.243 -0.155) 3.764 10.819 ( 8.805 -4.955 -1.998) 10.299 11.207 ( -0.550 3.705 1.678) 4.105 11.252 ( -2.374 1.621 -2.235) 3.641 11.551 ( -2.561 -1.571 1.464) 3.342 11.619 ( 5.808 -3.639 -0.147) 6.855 12.259 ( -6.023 9.398 4.807) 12.154 12.501 ( 3.279 5.105 -0.796) 6.120 12.511 ( -2.101 0.988 1.753) 2.909 12.756 ( 4.303 -4.420 -5.381) 8.186 12.954 ( -4.732 -1.994 5.016) 7.178 13.062 ( -1.646 -2.396 0.326) 2.925 13.139 ( -1.527 -4.278 2.835) 5.354 13.242 ( 3.911 -5.036 0.218) 6.379 15.259 ( -11.770 8.140 -1.836) 14.428 15.307 ( 12.782 7.143 7.999) 16.685 15.695 ( -4.128 -13.221 -0.162) 13.852 15.714 ( 3.751 -13.402 2.753) 14.187 16.220 ( 2.410 0.627 -0.187) 2.497 16.251 ( 2.516 -0.769 -1.944) 3.272 17.147 ( -9.274 12.889 1.330) 15.935 17.281 ( 7.095 7.216 -0.520) 10.133 17.405 ( -5.218 8.028 -3.452) 10.178 17.472 ( 5.342 10.300 -1.100) 11.654 18.137 ( -13.456 -14.490 -0.643) 19.785 18.278 ( 13.042 -15.346 3.474) 20.436 21.489 ( 0.222 1.339 -1.657) 2.142 21.498 ( 0.301 1.138 -2.260) 2.548 21.590 ( -2.503 1.349 0.285) 2.857 21.617 ( 0.582 0.266 0.315) 0.713 21.794 ( 0.703 1.650 0.818) 1.972 21.804 ( -1.816 1.409 -1.193) 2.589 22.173 ( 2.316 -5.805 1.455) 6.417 22.179 ( -0.044 -6.411 -0.393) 6.423 22.401 ( -0.354 0.401 5.932) 5.956 22.432 ( 0.891 -1.349 4.094) 4.401 23.188 ( -3.635 5.824 -5.389) 8.728 23.203 ( 2.034 5.280 -3.649) 6.733 ======================= Grid point 150 (81/112) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -1.489 16.525 3.866) 17.036 1.524 ( -16.448 11.365 3.502) 20.297 1.615 ( -5.581 19.781 2.568) 20.713 2.070 ( 5.431 -4.362 3.466) 7.781 2.114 ( 3.716 4.055 -12.763) 13.897 2.338 ( 9.472 -5.476 -4.621) 11.877 2.359 ( 3.757 -4.733 2.970) 6.734 2.407 ( 5.733 -1.208 -3.322) 6.735 2.606 ( 5.937 3.254 3.604) 7.670 2.633 ( 4.460 0.562 0.435) 4.516 2.700 ( 6.343 -6.526 5.159) 10.461 2.860 ( -6.345 -3.248 -6.185) 9.437 2.947 ( 6.539 -0.139 -9.056) 11.171 2.997 ( -3.282 -3.296 5.831) 7.459 3.140 ( 0.298 0.054 -0.046) 0.306 3.178 ( 2.225 -4.546 -8.340) 9.756 3.235 ( 5.410 5.588 4.198) 8.838 3.412 ( -0.677 -1.091 -2.192) 2.541 3.435 ( 2.011 0.166 8.635) 8.868 3.458 ( -0.318 2.368 4.251) 4.876 3.522 ( 4.997 -4.059 -5.885) 8.722 3.636 ( 0.328 -4.346 3.480) 5.577 3.729 ( -8.380 6.201 -0.699) 10.449 3.963 ( -1.048 -1.965 6.599) 6.964 4.082 ( 1.868 4.339 -2.353) 5.278 4.173 ( 0.046 -1.402 -6.255) 6.410 4.184 ( 1.813 -1.087 5.726) 6.104 4.345 ( -0.743 7.253 -1.377) 7.420 4.551 ( -0.281 6.417 1.132) 6.522 4.600 ( -2.853 7.422 1.136) 8.033 4.734 ( 1.127 -5.069 0.057) 5.193 4.896 ( -5.092 3.531 -2.481) 6.675 4.955 ( 1.051 -0.053 -3.468) 3.625 5.001 ( -1.309 -0.041 2.036) 2.421 5.038 ( -0.046 10.198 2.834) 10.585 5.152 ( -6.621 -1.796 0.365) 6.870 5.229 ( 3.962 12.680 1.796) 13.406 5.356 ( -6.838 2.738 3.568) 8.184 5.407 ( -4.815 3.480 -2.747) 6.545 5.598 ( -7.765 3.184 0.554) 8.411 5.655 ( -8.243 3.433 1.408) 9.040 5.799 ( -5.815 0.814 -1.434) 6.045 5.928 ( -2.483 -4.472 -4.073) 6.538 5.974 ( -0.858 -8.479 0.501) 8.537 6.118 ( -2.200 -3.817 2.443) 5.038 6.199 ( 3.248 -2.412 -3.542) 5.377 6.386 ( 0.976 0.284 1.906) 2.161 6.575 ( 3.866 2.999 -3.253) 5.875 6.636 ( 7.900 2.283 -3.039) 8.767 6.663 ( 1.898 -0.985 -5.250) 5.669 6.700 ( 2.884 -2.214 2.852) 4.621 6.840 ( 3.652 -4.377 2.780) 6.342 6.977 ( -3.991 -4.214 -2.209) 6.210 7.023 ( -0.728 -2.563 0.743) 2.766 7.273 ( 9.998 1.044 3.197) 10.549 7.331 ( 7.291 -1.116 6.228) 9.653 7.467 ( -5.253 6.364 0.686) 8.280 7.645 ( -10.261 5.993 5.479) 13.085 7.707 ( 0.799 -1.096 -1.864) 2.305 7.742 ( -6.067 3.140 0.501) 6.850 7.964 ( -2.999 3.396 -0.234) 4.537 8.016 ( 2.491 6.296 -6.488) 9.378 8.145 ( -4.090 10.251 0.986) 11.081 8.334 ( -3.869 -0.324 0.873) 3.980 8.461 ( 3.522 8.459 -1.250) 9.248 8.547 ( -0.554 -8.309 -0.026) 8.328 8.686 ( -3.798 1.402 -1.065) 4.186 8.871 ( 1.508 4.397 1.750) 4.966 8.959 ( -1.866 -5.771 -3.611) 7.058 9.007 ( -1.816 -5.954 -1.573) 6.420 9.215 ( -5.385 -3.326 0.844) 6.385 9.303 ( -3.278 -2.808 2.737) 5.110 9.402 ( -3.313 -0.962 -3.538) 4.941 9.478 ( 1.370 -4.727 -0.379) 4.936 9.618 ( -4.997 2.770 0.831) 5.774 9.674 ( -1.409 3.200 6.279) 7.187 9.861 ( 4.151 -7.220 -1.666) 8.493 10.117 ( 4.124 -0.976 -2.677) 5.012 10.151 ( -1.731 -5.144 4.074) 6.786 10.322 ( 9.433 -3.754 -7.243) 12.472 10.490 ( -2.898 2.427 -1.610) 4.109 10.679 ( -1.638 -3.742 -0.142) 4.088 10.841 ( 9.869 -1.943 -2.223) 10.301 10.943 ( 7.119 -4.293 0.488) 8.327 11.147 ( -3.099 2.124 -1.745) 4.143 11.262 ( -2.677 -1.647 3.527) 4.724 11.559 ( 3.014 1.164 -0.341) 3.249 11.689 ( 5.354 -2.579 -1.053) 6.035 12.234 ( -7.185 7.823 4.883) 11.691 12.490 ( 3.732 5.768 -4.376) 8.145 12.556 ( -2.347 -3.336 5.420) 6.783 12.749 ( 5.453 -2.749 -5.091) 7.950 12.952 ( -5.640 -1.243 5.903) 8.258 13.037 ( -2.268 -3.216 -0.167) 3.939 13.164 ( 1.618 -1.489 0.717) 2.313 13.305 ( 4.973 -5.084 -0.640) 7.141 15.078 ( -8.777 9.991 -3.155) 13.668 15.613 ( 0.505 -12.084 0.285) 12.098 15.622 ( 13.250 1.277 4.901) 14.185 15.865 ( 8.758 -8.080 4.815) 12.852 16.219 ( 0.297 0.108 -3.082) 3.098 16.231 ( 1.145 -0.482 -5.165) 5.312 17.045 ( -6.992 12.009 0.628) 13.911 17.271 ( -10.686 9.503 0.631) 14.314 17.309 ( -1.192 -1.105 0.883) 1.849 17.620 ( 15.077 18.789 -0.783) 24.103 17.905 ( -17.070 -13.632 -1.568) 21.902 18.502 ( 13.424 -18.790 1.326) 23.131 21.465 ( -0.842 1.536 -0.619) 1.858 21.486 ( -0.091 0.739 -0.299) 0.802 21.567 ( -1.773 2.055 0.791) 2.827 21.631 ( -0.015 -0.396 0.595) 0.715 21.742 ( -2.617 2.439 -1.332) 3.817 21.815 ( -0.667 -0.552 0.888) 1.241 22.181 ( 1.904 -4.338 -0.812) 4.806 22.228 ( 3.603 -5.977 0.656) 7.010 22.436 ( -0.895 0.690 -0.075) 1.133 22.466 ( 0.339 -0.637 -1.010) 1.241 23.083 ( -4.807 7.845 -0.591) 9.220 23.209 ( 1.228 2.221 1.137) 2.781 ======================= Grid point 151 (82/112) ======================= q-point: (-0.22 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -6.250 19.964 2.956) 21.127 1.507 ( -9.870 20.293 3.756) 22.876 1.605 ( 6.224 12.415 1.841) 14.009 1.933 ( 5.345 6.161 -19.409) 21.053 2.197 ( 11.090 -9.023 -3.595) 14.742 2.330 ( 0.496 -8.430 -8.247) 11.804 2.393 ( 5.969 -3.890 -2.812) 7.660 2.472 ( 4.591 -6.276 -2.341) 8.121 2.622 ( 0.298 0.318 -1.338) 1.408 2.695 ( -3.999 -0.445 -6.324) 7.496 2.744 ( 12.542 7.656 -2.216) 14.860 2.811 ( 2.284 -0.250 -1.884) 2.971 2.923 ( 2.173 1.950 -7.983) 8.501 2.976 ( 3.626 0.624 -0.388) 3.699 3.127 ( -0.794 1.492 0.640) 1.807 3.137 ( 2.081 -5.180 -3.237) 6.453 3.301 ( -2.620 5.530 2.768) 6.716 3.378 ( -3.426 2.448 -1.864) 4.604 3.464 ( 5.300 2.772 0.267) 5.987 3.553 ( -3.686 -2.966 -0.250) 4.738 3.579 ( 6.095 0.835 -3.106) 6.891 3.605 ( 6.660 -0.168 1.533) 6.837 3.771 ( 6.249 -2.743 -0.685) 6.859 3.884 ( 4.407 1.382 -10.580) 11.544 4.047 ( 0.420 -9.176 -2.314) 9.473 4.202 ( -3.324 -2.959 5.601) 7.154 4.270 ( -9.640 1.141 6.972) 11.951 4.407 ( -0.933 -0.824 13.517) 13.574 4.580 ( -6.152 12.245 3.932) 14.257 4.638 ( 1.994 3.525 5.764) 7.044 4.757 ( -6.368 4.267 1.894) 7.896 4.809 ( -1.870 -1.944 6.039) 6.614 4.895 ( -8.643 3.593 -1.381) 9.462 4.936 ( -1.533 0.790 -1.741) 2.451 5.092 ( -2.599 4.566 5.254) 7.430 5.185 ( -0.318 1.872 3.062) 3.603 5.237 ( -7.292 9.032 0.655) 11.627 5.312 ( -1.203 6.446 1.346) 6.694 5.374 ( 2.096 2.630 3.279) 4.697 5.388 ( -10.354 5.445 -4.481) 12.527 5.633 ( -5.958 7.245 0.504) 9.394 5.696 ( -4.190 2.347 3.965) 6.228 5.891 ( 1.826 -12.838 -2.587) 13.223 5.939 ( -1.948 -4.876 0.133) 5.252 6.107 ( -0.688 -4.604 -0.371) 4.670 6.232 ( 2.904 -8.788 0.707) 9.283 6.424 ( 4.461 -0.291 -1.535) 4.727 6.532 ( 1.490 0.682 -9.506) 9.647 6.654 ( 2.844 3.761 4.048) 6.214 6.748 ( 2.894 -3.786 -2.841) 5.548 6.799 ( 3.465 -1.365 1.475) 4.006 6.854 ( 0.220 -1.814 -0.126) 1.832 7.010 ( 2.447 -0.648 9.167) 9.510 7.077 ( 3.285 -2.303 5.213) 6.578 7.332 ( -2.679 1.144 -2.077) 3.577 7.395 ( -1.546 -1.122 0.692) 2.032 7.557 ( 8.273 2.862 5.365) 10.267 7.565 ( -10.699 3.360 9.031) 14.399 7.631 ( -12.225 2.009 4.632) 13.227 7.778 ( 2.988 -3.300 5.661) 7.202 7.953 ( 0.233 4.425 -0.222) 4.437 8.025 ( 1.309 3.180 1.456) 3.735 8.065 ( -3.717 9.643 2.312) 10.590 8.295 ( -4.044 8.837 0.337) 9.724 8.456 ( 1.459 8.825 -4.924) 10.210 8.552 ( -0.953 2.322 -1.427) 2.888 8.646 ( -0.311 -8.393 -1.244) 8.490 8.771 ( -10.864 1.795 0.305) 11.015 8.895 ( -2.330 -0.077 -3.016) 3.812 9.001 ( 0.652 -0.887 0.892) 1.417 9.180 ( -0.228 -2.623 -0.973) 2.807 9.254 ( -6.185 -4.583 0.697) 7.729 9.395 ( 4.687 -2.030 -0.961) 5.197 9.452 ( -1.138 -2.001 -1.649) 2.832 9.597 ( 1.746 -4.772 -0.423) 5.099 9.748 ( 0.426 0.649 3.668) 3.749 9.864 ( 0.019 -6.161 -2.309) 6.580 10.092 ( -3.321 -13.202 -1.345) 13.680 10.178 ( 3.093 3.926 -0.508) 5.023 10.319 ( 5.485 -0.005 -7.975) 9.679 10.428 ( 2.050 4.495 -5.289) 7.237 10.693 ( 1.185 -4.563 1.695) 5.009 10.938 ( 7.888 -0.235 -3.083) 8.472 10.989 ( 0.256 -3.086 -1.464) 3.426 11.130 ( 2.518 0.938 0.345) 2.709 11.245 ( -6.669 -4.655 3.689) 8.931 11.613 ( 5.897 2.335 -1.570) 6.534 11.734 ( 4.749 -1.055 -2.513) 5.475 12.198 ( -7.717 6.328 4.993) 11.159 12.501 ( 4.971 7.095 -2.693) 9.072 12.567 ( -4.471 -7.327 3.138) 9.139 12.773 ( 6.843 -1.195 -3.802) 7.919 12.970 ( -5.365 -3.598 6.118) 8.898 12.988 ( -1.963 -4.215 -1.838) 5.000 13.190 ( 2.031 0.978 -1.255) 2.580 13.350 ( 4.152 -4.936 -2.230) 6.824 14.954 ( -4.252 11.723 -1.394) 12.548 15.563 ( -1.797 -17.158 -0.651) 17.264 15.889 ( 16.744 4.732 -7.697) 19.026 16.069 ( 13.268 -4.356 -1.559) 14.052 16.139 ( -1.859 0.796 -3.054) 3.663 16.185 ( 0.141 -1.003 2.090) 2.323 16.983 ( -4.403 11.561 2.024) 12.536 17.150 ( -13.685 9.663 7.221) 18.243 17.321 ( -3.103 -4.771 4.977) 7.561 17.671 ( -17.216 -10.461 4.470) 20.635 17.782 ( 15.395 18.261 -8.510) 25.356 18.648 ( 10.094 -19.505 -4.584) 22.435 21.453 ( -1.272 1.525 0.884) 2.174 21.477 ( -1.199 0.486 0.205) 1.310 21.563 ( -0.794 2.344 1.048) 2.687 21.622 ( -1.370 1.159 -0.097) 1.797 21.714 ( -0.324 0.960 0.068) 1.016 21.810 ( -1.617 -1.934 1.008) 2.715 22.217 ( 4.256 -0.698 0.079) 4.314 22.291 ( 4.572 -3.909 0.267) 6.021 22.384 ( -1.034 -0.247 -4.539) 4.662 22.417 ( -0.100 -1.289 -5.570) 5.718 23.047 ( -5.126 8.473 4.860) 11.031 23.248 ( -1.144 -0.793 3.427) 3.699 ======================= Grid point 152 (83/112) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.274 25.185 1.375) 25.224 1.472 ( -7.630 15.730 12.562) 21.528 1.646 ( 2.029 14.169 -8.796) 16.801 1.854 ( 13.565 2.983 -7.935) 15.996 2.113 ( -5.710 -8.843 -13.047) 16.764 2.281 ( 12.584 -9.079 -9.150) 18.014 2.432 ( 5.503 -0.557 -3.095) 6.338 2.497 ( -0.162 -3.470 -0.615) 3.527 2.551 ( 0.687 -0.422 -8.986) 9.022 2.701 ( 7.092 -6.819 -2.072) 10.054 2.736 ( 0.439 -0.537 -4.725) 4.776 2.843 ( 1.525 3.009 -6.597) 7.410 2.864 ( 4.629 6.138 -1.225) 7.785 3.050 ( 3.114 3.743 2.775) 5.604 3.091 ( -1.727 -2.962 -2.212) 4.081 3.168 ( 2.609 3.622 1.710) 4.780 3.297 ( 2.054 -4.062 -5.061) 6.806 3.322 ( -4.634 4.697 0.280) 6.604 3.421 ( -5.930 -1.360 -0.958) 6.159 3.513 ( 0.920 4.827 1.001) 5.015 3.645 ( 7.579 0.151 -3.064) 8.177 3.697 ( 2.041 -0.505 -1.052) 2.351 3.772 ( 6.254 1.330 -3.749) 7.412 3.943 ( 4.338 -4.139 -5.232) 7.957 4.024 ( 8.744 -3.064 0.824) 9.301 4.228 ( -7.861 3.150 1.558) 8.610 4.246 ( -6.195 -10.874 11.619) 17.077 4.417 ( -14.081 0.254 1.814) 14.200 4.514 ( -5.831 5.686 2.784) 8.607 4.686 ( -6.399 8.390 3.476) 11.110 4.735 ( -1.612 0.831 2.734) 3.281 4.828 ( -0.317 6.501 5.450) 8.489 4.868 ( -7.245 -1.375 2.449) 7.770 4.907 ( 1.104 -0.166 1.072) 1.548 5.067 ( -6.093 7.465 -4.906) 10.813 5.123 ( -0.199 8.937 3.924) 9.763 5.180 ( -5.633 9.249 2.933) 11.219 5.322 ( 1.105 3.229 1.181) 3.611 5.352 ( -2.168 3.679 3.609) 5.591 5.449 ( 1.059 0.736 3.592) 3.817 5.543 ( -3.491 7.633 -1.200) 8.479 5.762 ( 1.038 -3.035 4.515) 5.539 5.856 ( 0.917 -9.566 -0.963) 9.658 6.007 ( 1.550 -0.562 6.854) 7.049 6.104 ( 2.196 -2.419 -1.465) 3.581 6.253 ( -2.295 -11.731 0.520) 11.965 6.420 ( 2.835 3.422 -8.110) 9.248 6.501 ( 6.944 -1.506 -1.755) 7.319 6.662 ( -0.521 -1.032 -3.085) 3.295 6.714 ( -2.593 -0.608 -9.258) 9.633 6.767 ( -2.191 -4.219 3.479) 5.891 6.876 ( 1.525 -4.462 -0.670) 4.763 7.185 ( 2.425 2.754 9.477) 10.163 7.239 ( -0.866 -0.694 8.922) 8.991 7.311 ( 0.500 -0.947 -0.426) 1.153 7.371 ( -4.019 -2.504 6.587) 8.112 7.548 ( -7.438 1.092 8.706) 11.503 7.607 ( -4.022 -0.065 14.498) 15.046 7.783 ( 5.980 2.531 7.649) 10.034 7.886 ( -4.978 0.611 6.098) 7.896 7.972 ( 3.751 1.805 2.270) 4.741 8.028 ( 3.954 0.911 1.377) 4.285 8.182 ( 4.026 8.150 4.625) 10.199 8.260 ( -1.417 13.870 3.786) 14.447 8.372 ( -1.321 9.218 -5.587) 10.860 8.502 ( -2.362 -2.475 -2.877) 4.470 8.520 ( -6.928 -0.245 -4.039) 8.024 8.720 ( -5.807 4.501 0.406) 7.358 8.817 ( 0.872 -0.365 -2.776) 2.933 9.025 ( 2.050 0.355 -0.319) 2.105 9.168 ( 0.064 -1.269 -2.601) 2.894 9.186 ( -3.020 -4.146 -1.114) 5.249 9.402 ( 0.380 1.515 -0.759) 1.736 9.491 ( 7.118 -7.905 -1.712) 10.774 9.596 ( -0.376 -6.158 -2.025) 6.493 9.772 ( -4.895 -6.482 0.942) 8.178 9.818 ( 0.874 -1.871 -1.223) 2.400 10.032 ( -6.435 -9.382 3.689) 11.960 10.231 ( 7.258 1.372 -3.240) 8.066 10.273 ( 5.496 2.450 -8.664) 10.548 10.411 ( 5.588 4.347 -4.942) 8.634 10.733 ( -0.544 -7.480 2.758) 7.991 10.931 ( -1.869 -0.952 -3.885) 4.415 10.973 ( 4.146 -2.026 -4.577) 6.499 11.184 ( 2.411 0.700 1.139) 2.757 11.198 ( -5.935 -1.669 3.616) 7.148 11.654 ( 3.578 1.470 -2.603) 4.663 11.755 ( 4.931 0.090 -3.992) 6.345 12.165 ( -7.491 5.538 5.873) 11.013 12.526 ( 1.030 3.335 -2.769) 4.455 12.559 ( 0.657 -4.212 3.016) 5.222 12.829 ( 6.547 0.535 -1.843) 6.822 12.875 ( -7.801 -4.257 -1.635) 9.036 13.017 ( -0.526 -5.932 3.923) 7.132 13.169 ( -0.101 1.675 -4.009) 4.346 13.347 ( 1.491 -4.779 -4.234) 6.557 14.934 ( 0.256 11.593 2.550) 11.873 15.544 ( -0.051 -16.771 -0.879) 16.794 15.798 ( 0.666 3.225 -16.391) 16.719 15.957 ( -2.123 -4.625 -10.582) 11.742 16.305 ( 10.435 0.607 2.725) 10.802 16.332 ( 8.414 -0.545 3.878) 9.281 16.986 ( -1.879 12.053 4.722) 13.080 17.115 ( -9.884 9.138 12.008) 18.039 17.314 ( -5.731 -3.945 2.819) 7.507 17.647 ( -5.190 -13.563 14.729) 20.684 17.778 ( 7.067 20.561 -14.369) 26.061 18.641 ( 4.275 -19.357 -10.769) 22.560 21.451 ( -0.909 1.246 0.965) 1.819 21.462 ( -1.039 0.784 0.002) 1.301 21.569 ( -0.573 2.207 1.271) 2.610 21.612 ( -0.372 1.842 0.629) 1.982 21.717 ( -0.071 0.649 0.520) 0.835 21.804 ( -1.263 -1.866 1.050) 2.486 22.288 ( 2.992 0.781 -0.332) 3.110 22.312 ( 1.530 -1.516 -2.565) 3.350 22.330 ( 0.694 -2.258 -4.899) 5.439 22.369 ( 3.122 -2.880 -0.185) 4.251 23.061 ( -3.746 8.163 6.160) 10.891 23.256 ( -2.540 -0.696 1.616) 3.090 ======================= Grid point 153 (84/112) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -0.307 -2.889 0.970) 3.063 1.713 ( -0.307 2.889 0.970) 3.063 1.802 ( -9.860 -5.659 7.268) 13.494 1.802 ( -9.860 5.659 7.268) 13.494 2.107 ( 10.712 -10.491 -5.581) 15.999 2.107 ( 10.712 10.491 -5.581) 15.999 2.372 ( 4.104 -1.067 -8.528) 9.524 2.372 ( 4.104 1.067 -8.528) 9.524 2.555 ( -1.069 -10.426 -4.900) 11.569 2.555 ( -1.069 10.426 -4.900) 11.569 2.713 ( 2.085 -7.818 -10.403) 13.179 2.713 ( 2.085 7.818 -10.403) 13.179 2.886 ( 0.292 -7.416 -0.526) 7.440 2.886 ( 0.292 7.416 -0.526) 7.440 3.141 ( -6.141 -3.449 -7.524) 10.306 3.141 ( -6.141 3.449 -7.524) 10.306 3.216 ( 1.153 -1.537 -2.605) 3.237 3.216 ( 1.153 1.537 -2.605) 3.237 3.506 ( -1.436 -4.676 -3.621) 6.086 3.506 ( -1.436 4.676 -3.621) 6.086 3.673 ( -0.622 -4.997 1.858) 5.367 3.673 ( -0.622 4.997 1.858) 5.367 4.002 ( -10.077 -5.727 6.898) 13.488 4.002 ( -10.077 5.727 6.898) 13.488 4.125 ( 2.348 -4.509 6.302) 8.097 4.125 ( 2.348 4.509 6.302) 8.097 4.292 ( 10.459 -4.807 5.439) 12.731 4.292 ( 10.459 4.807 5.439) 12.731 4.592 ( -0.344 -2.848 -0.665) 2.945 4.592 ( -0.344 2.848 -0.665) 2.945 4.832 ( -1.043 -1.385 4.097) 4.449 4.832 ( -1.043 1.385 4.097) 4.449 4.897 ( -1.035 -4.008 -0.604) 4.183 4.897 ( -1.035 4.008 -0.604) 4.183 5.166 ( -3.422 -5.362 -4.541) 7.816 5.166 ( -3.422 5.362 -4.541) 7.816 5.330 ( 4.988 -7.890 -2.406) 9.639 5.330 ( 4.988 7.890 -2.406) 9.639 5.531 ( 2.412 -8.012 1.563) 8.512 5.531 ( 2.412 8.012 1.563) 8.512 5.609 ( -3.173 -3.184 6.256) 7.703 5.609 ( -3.173 3.184 6.256) 7.703 5.978 ( -1.516 -8.539 7.027) 11.162 5.978 ( -1.516 8.539 7.027) 11.162 6.101 ( -1.897 -1.149 0.828) 2.367 6.101 ( -1.897 1.149 0.828) 2.367 6.500 ( 4.080 -6.197 -2.843) 7.946 6.500 ( 4.080 6.197 -2.843) 7.946 6.578 ( -0.447 -2.060 -4.787) 5.231 6.578 ( -0.447 2.060 -4.787) 5.231 6.734 ( -0.376 -2.091 -1.638) 2.683 6.734 ( -0.376 2.091 -1.638) 2.683 7.236 ( 0.161 -1.779 -3.296) 3.749 7.236 ( 0.161 1.779 -3.296) 3.749 7.433 ( -0.135 -2.419 9.951) 10.241 7.433 ( -0.135 2.419 9.951) 10.241 7.746 ( 3.826 -7.051 9.772) 12.644 7.746 ( 3.826 7.051 9.772) 12.644 7.852 ( -10.355 -1.080 6.824) 12.448 7.852 ( -10.355 1.080 6.824) 12.448 8.109 ( 3.864 -3.455 1.450) 5.382 8.109 ( 3.864 3.455 1.450) 5.382 8.351 ( 0.077 -1.466 0.886) 1.714 8.351 ( 0.077 1.466 0.886) 1.714 8.463 ( -1.721 -3.494 4.031) 5.605 8.463 ( -1.721 3.494 4.031) 5.605 8.634 ( 3.155 -7.377 3.368) 8.702 8.634 ( 3.155 7.377 3.368) 8.702 8.946 ( 2.418 -8.789 -2.935) 9.576 8.946 ( 2.418 8.789 -2.935) 9.576 9.097 ( 2.585 -1.298 -10.804) 11.185 9.097 ( 2.585 1.298 -10.804) 11.185 9.445 ( -2.414 -4.166 0.084) 4.815 9.445 ( -2.414 4.166 0.084) 4.815 9.474 ( -3.166 -4.752 -0.754) 5.760 9.474 ( -3.166 4.752 -0.754) 5.760 9.895 ( -1.674 -4.351 4.308) 6.348 9.895 ( -1.674 4.351 4.308) 6.348 10.258 ( 4.982 -2.948 -8.199) 10.037 10.258 ( 4.982 2.948 -8.199) 10.037 10.560 ( -0.762 -7.312 2.943) 7.919 10.560 ( -0.762 7.312 2.943) 7.919 10.865 ( 0.350 -4.527 -6.504) 7.932 10.865 ( 0.350 4.527 -6.504) 7.932 11.242 ( -0.219 -2.313 5.002) 5.515 11.242 ( -0.219 2.313 5.002) 5.515 11.694 ( 2.016 -3.905 -5.330) 6.908 11.694 ( 2.016 3.905 -5.330) 6.908 12.345 ( -3.276 -10.173 5.857) 12.187 12.345 ( -3.276 10.173 5.857) 12.187 12.686 ( 0.797 -5.125 -5.352) 7.453 12.686 ( 0.797 5.125 -5.352) 7.453 12.946 ( -0.088 -4.899 4.884) 6.918 12.946 ( -0.088 4.899 4.884) 6.918 13.174 ( -0.782 -5.570 -5.808) 8.085 13.174 ( -0.782 5.570 -5.808) 8.085 15.251 ( 1.764 -12.520 2.465) 12.882 15.251 ( 1.764 12.520 2.465) 12.882 15.653 ( -3.973 -5.295 -10.788) 12.657 15.653 ( -3.973 5.295 -10.788) 12.657 16.424 ( 2.696 -0.213 -0.100) 2.706 16.424 ( 2.696 0.213 -0.100) 2.706 17.223 ( -0.690 -5.646 5.099) 7.639 17.223 ( -0.690 5.646 5.099) 7.639 17.471 ( 0.236 -14.461 9.191) 17.136 17.471 ( 0.236 14.461 9.191) 17.136 18.088 ( -0.332 -19.767 -10.397) 22.337 18.088 ( -0.332 19.767 -10.397) 22.337 21.468 ( 0.317 -0.128 0.219) 0.406 21.468 ( 0.317 0.128 0.219) 0.406 21.616 ( -0.033 -1.212 0.579) 1.344 21.616 ( -0.033 1.212 0.579) 1.344 21.776 ( -0.200 -1.883 2.070) 2.806 21.776 ( -0.200 1.883 2.070) 2.806 22.212 ( -0.254 -0.967 -4.638) 4.744 22.212 ( -0.254 0.967 -4.638) 4.744 22.381 ( 0.419 -0.797 0.666) 1.120 22.381 ( 0.419 0.797 0.666) 1.120 23.224 ( 0.108 -3.148 2.960) 4.322 23.224 ( 0.108 3.148 2.960) 4.322 ======================= Grid point 155 (85/112) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -12.341 -3.869 3.551) 13.411 1.667 ( -12.341 3.869 3.551) 13.411 1.794 ( -3.743 -4.925 2.492) 6.669 1.794 ( -3.743 4.925 2.492) 6.669 2.126 ( -4.365 -7.622 -0.238) 8.787 2.126 ( -4.365 7.622 -0.238) 8.787 2.292 ( 4.917 -7.043 -7.856) 11.641 2.292 ( 4.917 7.043 -7.856) 11.641 2.431 ( -7.554 -7.837 -2.218) 11.108 2.431 ( -7.554 7.837 -2.218) 11.108 2.616 ( 0.792 -4.113 -6.460) 7.699 2.616 ( 0.792 4.113 -6.460) 7.699 2.935 ( 1.804 -0.838 -2.511) 3.203 2.935 ( 1.804 0.838 -2.511) 3.203 3.007 ( -0.279 -5.392 1.886) 5.719 3.007 ( -0.279 5.392 1.886) 5.719 3.171 ( -3.729 -0.995 -1.493) 4.138 3.171 ( -3.729 0.995 -1.493) 4.138 3.442 ( -3.197 -2.786 -0.575) 4.279 3.442 ( -3.197 2.786 -0.575) 4.279 3.637 ( -7.371 -6.241 1.457) 9.767 3.637 ( -7.371 6.241 1.457) 9.767 3.887 ( -9.563 -1.743 2.305) 9.990 3.887 ( -9.563 1.743 2.305) 9.990 4.357 ( 15.126 -6.709 4.576) 17.168 4.357 ( 15.126 6.709 4.576) 17.168 4.487 ( 7.048 -3.974 2.616) 8.503 4.487 ( 7.048 3.974 2.616) 8.503 4.663 ( 13.773 -3.346 -3.234) 14.538 4.663 ( 13.773 3.346 -3.234) 14.538 4.850 ( -1.220 -5.625 0.694) 5.798 4.850 ( -1.220 5.625 0.694) 5.798 4.948 ( 5.173 -1.481 3.497) 6.418 4.948 ( 5.173 1.481 3.497) 6.418 5.064 ( -0.936 -5.902 -2.804) 6.602 5.064 ( -0.936 5.902 -2.804) 6.602 5.363 ( 5.474 -7.164 -3.950) 9.843 5.363 ( 5.474 7.164 -3.950) 9.843 5.532 ( -2.112 -6.897 -0.500) 7.231 5.532 ( -2.112 6.897 -0.500) 7.231 5.693 ( 1.284 -6.825 5.855) 9.083 5.693 ( 1.284 6.825 5.855) 9.083 6.023 ( -4.847 -1.991 3.928) 6.549 6.023 ( -4.847 1.991 3.928) 6.549 6.084 ( -0.358 -0.920 1.446) 1.751 6.084 ( -0.358 0.920 1.446) 1.751 6.442 ( -1.623 -3.489 -5.010) 6.317 6.442 ( -1.623 3.489 -5.010) 6.317 6.574 ( 1.525 -5.137 -1.151) 5.481 6.574 ( 1.525 5.137 -1.151) 5.481 6.724 ( -0.144 -0.493 -0.353) 0.623 6.724 ( -0.144 0.493 -0.353) 0.623 7.192 ( -0.343 -2.048 -1.851) 2.782 7.192 ( -0.343 2.048 -1.851) 2.782 7.567 ( 2.826 -4.542 5.617) 7.757 7.567 ( 2.826 4.542 5.617) 7.757 7.732 ( -4.472 -1.262 -3.026) 5.545 7.732 ( -4.472 1.262 -3.026) 5.545 7.932 ( -1.506 -7.786 9.278) 12.205 7.932 ( -1.506 7.786 9.278) 12.205 8.146 ( 1.700 -2.897 1.059) 3.522 8.146 ( 1.700 2.897 1.059) 3.522 8.350 ( -0.620 -2.812 -0.663) 2.955 8.350 ( -0.620 2.812 -0.663) 2.955 8.540 ( -1.974 -3.037 9.813) 10.460 8.540 ( -1.974 3.037 9.813) 10.460 8.727 ( 4.706 -5.825 -2.318) 7.839 8.727 ( 4.706 5.825 -2.318) 7.839 8.921 ( 3.664 -4.249 -14.013) 15.094 8.921 ( 3.664 4.249 -14.013) 15.094 9.005 ( 5.405 -4.333 -0.193) 6.930 9.005 ( 5.405 4.333 -0.193) 6.930 9.389 ( -5.564 -2.596 1.317) 6.279 9.389 ( -5.564 2.596 1.317) 6.279 9.466 ( -1.145 -3.951 2.787) 4.970 9.466 ( -1.145 3.951 2.787) 4.970 9.928 ( -2.026 -1.382 4.471) 5.100 9.928 ( -2.026 1.382 4.471) 5.100 10.181 ( 0.643 -5.878 -8.474) 10.333 10.181 ( 0.643 5.878 -8.474) 10.333 10.581 ( -2.813 -4.940 2.115) 6.065 10.581 ( -2.813 4.940 2.115) 6.065 10.819 ( 3.671 -6.918 -3.225) 8.470 10.819 ( 3.671 6.918 -3.225) 8.470 11.302 ( 0.355 -3.671 3.337) 4.974 11.302 ( 0.355 3.671 3.337) 4.974 11.627 ( -1.449 -3.760 -4.609) 6.122 11.627 ( -1.449 3.760 -4.609) 6.122 12.401 ( -0.774 -8.366 6.029) 10.341 12.401 ( -0.774 8.366 6.029) 10.341 12.626 ( 0.443 -2.100 -3.987) 4.528 12.626 ( 0.443 2.100 -3.987) 4.528 12.982 ( -4.344 -5.289 2.068) 7.150 12.982 ( -4.344 5.289 2.068) 7.150 13.106 ( 1.438 -4.941 -2.148) 5.576 13.106 ( 1.438 4.941 -2.148) 5.576 15.289 ( -0.021 -1.932 -0.660) 2.042 15.289 ( -0.021 1.932 -0.660) 2.042 15.524 ( -1.445 -1.114 -0.736) 1.968 15.524 ( -1.445 1.114 -0.736) 1.968 16.406 ( -3.178 -0.751 -1.413) 3.558 16.406 ( -3.178 0.751 -1.413) 3.558 17.298 ( 2.117 -4.676 3.647) 6.297 17.298 ( 2.117 4.676 3.647) 6.297 17.536 ( -1.176 -5.323 0.114) 5.453 17.536 ( -1.176 5.323 0.114) 5.453 17.997 ( 1.484 -7.520 -2.427) 8.040 17.997 ( 1.484 7.520 -2.427) 8.040 21.482 ( 1.595 -0.355 -0.197) 1.646 21.482 ( 1.595 0.355 -0.197) 1.646 21.626 ( 0.478 -0.902 0.364) 1.084 21.626 ( 0.478 0.902 0.364) 1.084 21.800 ( 0.436 -0.667 1.001) 1.279 21.800 ( 0.436 0.667 1.001) 1.279 22.165 ( -0.309 -1.284 -1.652) 2.115 22.165 ( -0.309 1.284 -1.652) 2.115 22.351 ( -5.014 -0.279 0.014) 5.022 22.351 ( -5.014 0.279 0.014) 5.022 23.278 ( 3.641 -0.781 0.912) 3.834 23.278 ( 3.641 0.781 0.912) 3.834 ======================= Grid point 157 (86/112) ======================= q-point: ( 0.22 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -13.415 -7.636 4.784) 16.160 1.539 ( -13.415 7.636 4.784) 16.160 1.673 ( -8.345 -14.259 -1.816) 16.621 1.673 ( -8.345 14.259 -1.816) 16.621 2.048 ( -10.843 -9.747 2.277) 14.757 2.048 ( -10.843 9.747 2.277) 14.757 2.216 ( -0.501 -8.237 -3.085) 8.810 2.216 ( -0.501 8.237 -3.085) 8.810 2.443 ( -0.360 -6.027 5.044) 7.867 2.443 ( -0.360 6.027 5.044) 7.867 2.541 ( -0.343 -2.431 -2.099) 3.230 2.541 ( -0.343 2.431 -2.099) 3.230 2.898 ( -1.324 -0.837 -0.417) 1.621 2.898 ( -1.324 0.837 -0.417) 1.621 3.025 ( -7.927 -3.730 2.200) 9.033 3.025 ( -7.927 3.730 2.200) 9.033 3.170 ( 0.015 -3.413 6.727) 7.544 3.170 ( 0.015 3.413 6.727) 7.544 3.423 ( 0.193 -3.820 1.027) 3.960 3.423 ( 0.193 3.820 1.027) 3.960 3.563 ( -5.595 -5.376 2.347) 8.106 3.563 ( -5.595 5.376 2.347) 8.106 3.798 ( -4.402 -2.738 -1.676) 5.448 3.798 ( -4.402 2.738 -1.676) 5.448 4.518 ( 10.810 -7.698 -7.601) 15.294 4.518 ( 10.810 7.698 -7.601) 15.294 4.644 ( 12.968 -4.746 -4.518) 14.530 4.644 ( 12.968 4.746 -4.518) 14.530 4.798 ( 10.595 -4.669 0.004) 11.578 4.798 ( 10.595 4.669 0.004) 11.578 4.853 ( 3.662 -3.737 -0.601) 5.266 4.853 ( 3.662 3.737 -0.601) 5.266 5.023 ( 0.422 -8.667 2.999) 9.181 5.023 ( 0.422 8.667 2.999) 9.181 5.162 ( 9.244 -10.501 4.436) 14.677 5.162 ( 9.244 10.501 4.436) 14.677 5.368 ( 4.913 -2.624 -6.021) 8.202 5.368 ( 4.913 2.624 -6.021) 8.202 5.500 ( 0.307 -8.966 -0.781) 9.005 5.500 ( 0.307 8.966 -0.781) 9.005 5.767 ( 2.800 -4.461 0.131) 5.269 5.767 ( 2.800 4.461 0.131) 5.269 5.993 ( -4.009 -5.284 2.805) 7.201 5.993 ( -4.009 5.284 2.805) 7.201 6.075 ( -4.268 -3.762 0.120) 5.691 6.075 ( -4.268 3.762 0.120) 5.691 6.375 ( -2.836 -5.304 -0.419) 6.029 6.375 ( -2.836 5.304 -0.419) 6.029 6.538 ( -3.379 -4.113 -1.624) 5.565 6.538 ( -3.379 4.113 -1.624) 5.565 6.712 ( -0.478 -2.145 0.115) 2.200 6.712 ( -0.478 2.145 0.115) 2.200 7.188 ( -1.811 -2.885 2.751) 4.379 7.188 ( -1.811 2.885 2.751) 4.379 7.567 ( -6.395 -4.702 -2.184) 8.232 7.567 ( -6.395 4.702 -2.184) 8.232 7.687 ( 5.126 -4.731 -4.312) 8.201 7.687 ( 5.126 4.731 -4.312) 8.201 8.001 ( 0.066 -1.495 2.537) 2.945 8.001 ( 0.066 1.495 2.537) 2.945 8.226 ( 4.012 -4.023 3.227) 6.534 8.226 ( 4.012 4.023 3.227) 6.534 8.306 ( 0.068 -2.658 -4.316) 5.070 8.306 ( 0.068 2.658 -4.316) 5.070 8.568 ( -0.565 -2.981 -6.209) 6.911 8.568 ( -0.565 2.981 -6.209) 6.911 8.716 ( 1.595 -8.533 -0.750) 8.713 8.716 ( 1.595 8.533 -0.750) 8.713 8.836 ( 1.624 -5.831 -1.470) 6.229 8.836 ( 1.624 5.831 -1.470) 6.229 9.130 ( 7.957 -4.815 1.359) 9.399 9.130 ( 7.957 4.815 1.359) 9.399 9.332 ( -4.608 -3.785 1.614) 6.178 9.332 ( -4.608 3.785 1.614) 6.178 9.524 ( 0.330 -5.754 5.826) 8.196 9.524 ( 0.330 5.754 5.826) 8.196 9.945 ( -3.036 -2.563 1.334) 4.191 9.945 ( -3.036 2.563 1.334) 4.191 10.087 ( 0.626 -4.684 -3.941) 6.154 10.087 ( 0.626 4.684 -3.941) 6.154 10.542 ( -3.568 -5.730 -0.083) 6.750 10.542 ( -3.568 5.730 -0.083) 6.750 10.856 ( 2.178 -4.419 0.617) 4.965 10.856 ( 2.178 4.419 0.617) 4.965 11.331 ( 1.651 -6.108 -1.505) 6.503 11.331 ( 1.651 6.108 -1.505) 6.503 11.552 ( -4.067 -2.934 -0.026) 5.015 11.552 ( -4.067 2.934 -0.026) 5.015 12.467 ( -0.644 -4.032 4.449) 6.039 12.467 ( -0.644 4.032 4.449) 6.039 12.598 ( 1.500 -3.389 -2.281) 4.352 12.598 ( 1.500 3.389 -2.281) 4.352 12.914 ( -4.228 -6.407 -0.246) 7.680 12.914 ( -4.228 6.407 -0.246) 7.680 13.135 ( 0.185 -3.799 2.243) 4.416 13.135 ( 0.185 3.799 2.243) 4.416 15.242 ( -1.464 -10.521 -2.260) 10.860 15.242 ( -1.464 10.521 -2.260) 10.860 15.577 ( 0.341 -6.265 6.610) 9.114 15.577 ( 0.341 6.265 6.610) 9.114 16.316 ( -5.091 -1.467 -2.776) 5.981 16.316 ( -5.091 1.467 -2.776) 5.981 17.352 ( 3.014 -3.053 -1.891) 4.688 17.352 ( 3.014 3.053 -1.891) 4.688 17.493 ( -3.225 -3.002 1.207) 4.568 17.493 ( -3.225 3.002 1.207) 4.568 18.034 ( 3.188 -6.700 0.821) 7.465 18.034 ( 3.188 6.700 0.821) 7.465 21.507 ( 2.666 -0.142 -0.413) 2.701 21.507 ( 2.666 0.142 -0.413) 2.701 21.633 ( 0.654 -0.725 -0.570) 1.130 21.633 ( 0.654 0.725 -0.570) 1.130 21.812 ( 0.658 -1.216 -0.362) 1.429 21.812 ( 0.658 1.216 -0.362) 1.429 22.160 ( -1.041 -1.465 2.091) 2.757 22.160 ( -1.041 1.465 2.091) 2.757 22.265 ( -6.164 -1.225 -0.510) 6.305 22.265 ( -6.164 1.225 -0.510) 6.305 23.335 ( 4.382 -1.297 -1.108) 4.702 23.335 ( 4.382 1.297 -1.108) 4.702 ======================= Grid point 159 (87/112) ======================= q-point: ( 0.33 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -6.600 -10.100 9.509) 15.362 1.480 ( -6.600 10.100 9.509) 15.362 1.650 ( -2.740 -8.048 9.671) 12.876 1.650 ( -2.740 8.048 9.671) 12.876 1.984 ( -7.480 -1.511 9.514) 12.196 1.984 ( -7.480 1.511 9.514) 12.196 2.187 ( -3.455 -9.431 2.342) 10.313 2.187 ( -3.455 9.431 2.342) 10.313 2.390 ( 0.208 -9.392 -7.277) 11.883 2.390 ( 0.208 9.392 -7.277) 11.883 2.630 ( 1.796 -1.223 7.769) 8.068 2.630 ( 1.796 1.223 7.769) 8.068 2.820 ( -9.090 -2.359 -2.221) 9.650 2.820 ( -9.090 2.359 -2.221) 9.650 2.999 ( -5.378 -2.051 10.191) 11.705 2.999 ( -5.378 2.051 10.191) 11.705 3.232 ( -2.099 -4.368 3.072) 5.738 3.232 ( -2.099 4.368 3.072) 5.738 3.454 ( 0.714 -4.637 2.307) 5.228 3.454 ( 0.714 4.637 2.307) 5.228 3.536 ( -2.861 -2.699 -0.035) 3.934 3.536 ( -2.861 2.699 -0.035) 3.934 3.755 ( 0.286 -5.650 0.416) 5.673 3.755 ( 0.286 5.650 0.416) 5.673 4.486 ( 11.021 -14.290 -16.948) 24.757 4.486 ( 11.021 14.290 -16.948) 24.757 4.720 ( 8.247 -2.633 -3.988) 9.531 4.720 ( 8.247 2.633 -3.988) 9.531 4.840 ( -2.856 -2.626 0.371) 3.897 4.840 ( -2.856 2.626 0.371) 3.897 4.920 ( 6.613 -1.115 -6.187) 9.125 4.920 ( 6.613 1.115 -6.187) 9.125 5.105 ( 4.261 -7.993 1.835) 9.242 5.105 ( 4.261 7.993 1.835) 9.242 5.235 ( 2.470 -7.324 -8.826) 11.732 5.235 ( 2.470 7.324 -8.826) 11.732 5.417 ( 7.447 -6.719 3.421) 10.597 5.417 ( 7.447 6.719 3.421) 10.597 5.518 ( 3.363 -7.153 -1.954) 8.142 5.518 ( 3.363 7.153 -1.954) 8.142 5.774 ( 3.419 -6.058 -3.550) 7.810 5.774 ( 3.419 6.058 -3.550) 7.810 5.962 ( -5.151 -4.320 -2.731) 7.256 5.962 ( -5.151 4.320 -2.731) 7.256 6.037 ( -2.447 -2.929 6.743) 7.748 6.037 ( -2.447 2.929 6.743) 7.748 6.355 ( 0.178 -3.939 1.377) 4.177 6.355 ( 0.178 3.939 1.377) 4.177 6.476 ( -7.144 -3.222 4.111) 8.849 6.476 ( -7.144 3.222 4.111) 8.849 6.737 ( 2.326 -3.329 1.746) 4.421 6.737 ( 2.326 3.329 1.746) 4.421 7.186 ( -6.608 -5.835 4.519) 9.906 7.186 ( -6.608 5.835 4.519) 9.906 7.425 ( -0.957 -3.968 -11.731) 12.421 7.425 ( -0.957 3.968 -11.731) 12.421 7.660 ( -0.695 -4.361 -3.919) 5.904 7.660 ( -0.695 4.361 -3.919) 5.904 8.021 ( 3.924 -2.099 -2.371) 5.042 8.021 ( 3.924 2.099 -2.371) 5.042 8.145 ( -3.115 -5.608 -9.166) 11.188 8.145 ( -3.115 5.608 -9.166) 11.188 8.368 ( 2.957 -4.030 2.416) 5.551 8.368 ( 2.957 4.030 2.416) 5.551 8.520 ( 4.993 -6.100 -2.925) 8.408 8.520 ( 4.993 6.100 -2.925) 8.408 8.711 ( -1.236 -9.372 -1.622) 9.592 8.711 ( -1.236 9.372 -1.622) 9.592 8.872 ( 1.610 -1.698 2.054) 3.113 8.872 ( 1.610 1.698 2.054) 3.113 9.225 ( 0.153 -5.182 4.834) 7.088 9.225 ( 0.153 5.182 4.834) 7.088 9.347 ( 6.129 -6.788 -0.802) 9.181 9.347 ( 6.129 6.788 -0.802) 9.181 9.597 ( -3.516 -3.631 6.499) 8.233 9.597 ( -3.516 3.631 6.499) 8.233 9.895 ( 0.657 -6.894 -2.444) 7.344 9.895 ( 0.657 6.894 -2.444) 7.344 10.106 ( 1.121 -4.070 2.299) 4.807 10.106 ( 1.121 4.070 2.299) 4.807 10.510 ( -1.614 -3.929 1.183) 4.409 10.510 ( -1.614 3.929 1.183) 4.409 10.856 ( -2.838 -3.976 -0.356) 4.898 10.856 ( -2.838 3.976 -0.356) 4.898 11.313 ( 2.588 -8.317 -4.427) 9.771 11.313 ( 2.588 8.317 -4.427) 9.771 11.523 ( -4.127 -3.546 3.416) 6.424 11.523 ( -4.127 3.546 3.416) 6.424 12.489 ( -4.110 -6.154 3.506) 8.189 12.489 ( -4.110 6.154 3.506) 8.189 12.600 ( 4.764 -7.272 -3.674) 9.438 12.600 ( 4.764 7.272 -3.674) 9.438 12.898 ( -1.968 -4.925 3.955) 6.616 12.898 ( -1.968 4.925 3.955) 6.616 13.149 ( -1.873 -3.229 1.484) 4.017 13.149 ( -1.873 3.229 1.484) 4.017 15.228 ( 1.091 -13.468 1.050) 13.553 15.228 ( 1.091 13.468 1.050) 13.553 15.646 ( -4.252 -7.304 5.742) 10.217 15.646 ( -4.252 7.304 5.742) 10.217 16.221 ( -2.006 -1.918 -2.678) 3.857 16.221 ( -2.006 1.918 -2.678) 3.857 17.347 ( 3.404 -8.844 -3.633) 10.149 17.347 ( 3.404 8.844 -3.633) 10.149 17.498 ( -2.491 -3.873 4.108) 6.171 17.498 ( -2.491 3.873 4.108) 6.171 18.066 ( 1.105 -10.290 -0.964) 10.394 18.066 ( 1.105 10.290 -0.964) 10.394 21.534 ( 2.531 -0.174 -1.379) 2.888 21.534 ( 2.531 0.174 -1.379) 2.888 21.630 ( 0.396 -0.612 -0.841) 1.113 21.630 ( 0.396 0.612 -0.841) 1.113 21.812 ( 0.796 -2.582 -0.742) 2.802 21.812 ( 0.796 2.582 -0.742) 2.802 22.154 ( -5.069 -1.246 1.365) 5.396 22.154 ( -5.069 1.246 1.365) 5.396 22.228 ( -0.095 -0.750 3.754) 3.830 22.228 ( -0.095 0.750 3.754) 3.830 23.356 ( 2.902 -2.302 -3.337) 4.986 23.356 ( 2.902 2.302 -3.337) 4.986 ======================= Grid point 161 (88/112) ======================= q-point: ( 0.44 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 0.291 -7.948 14.156) 16.237 1.619 ( 0.291 7.948 14.156) 16.237 1.802 ( 1.377 -8.970 11.439) 14.601 1.802 ( 1.377 8.970 11.439) 14.601 2.088 ( -4.374 -9.208 13.511) 16.926 2.088 ( -4.374 9.208 13.511) 16.926 2.177 ( -2.841 -12.334 2.773) 12.957 2.177 ( -2.841 12.334 2.773) 12.957 2.348 ( 8.667 -6.209 -5.412) 11.956 2.348 ( 8.667 6.209 -5.412) 11.956 2.645 ( -12.524 -3.034 4.490) 13.646 2.645 ( -12.524 3.034 4.490) 13.646 2.791 ( 5.168 -1.564 7.336) 9.109 2.791 ( 5.168 1.564 7.336) 9.109 3.089 ( -4.667 -0.376 10.768) 11.742 3.089 ( -4.667 0.376 10.768) 11.742 3.202 ( -0.631 -3.702 -2.901) 4.746 3.202 ( -0.631 3.702 -2.901) 4.746 3.461 ( -0.749 -4.275 -4.687) 6.388 3.461 ( -0.749 4.275 -4.687) 6.388 3.526 ( 1.092 -2.460 3.459) 4.383 3.526 ( 1.092 2.460 3.459) 4.383 3.768 ( -2.908 -5.142 2.964) 6.610 3.768 ( -2.908 5.142 2.964) 6.610 4.421 ( 9.446 -11.976 -12.573) 19.767 4.421 ( 9.446 11.976 -12.573) 19.767 4.677 ( -0.766 -2.595 -10.112) 10.468 4.677 ( -0.766 2.595 -10.112) 10.468 4.825 ( 0.648 -4.105 -4.050) 5.803 4.825 ( 0.648 4.105 -4.050) 5.803 4.855 ( 0.186 -6.468 -10.164) 12.049 4.855 ( 0.186 6.468 -10.164) 12.049 5.007 ( -2.952 -10.985 -6.840) 13.273 5.007 ( -2.952 10.985 -6.840) 13.273 5.262 ( 6.040 -8.262 1.667) 10.369 5.262 ( 6.040 8.262 1.667) 10.369 5.431 ( -3.183 -4.085 -5.712) 7.710 5.431 ( -3.183 4.085 -5.712) 7.710 5.566 ( 2.459 -12.065 1.321) 12.384 5.566 ( 2.459 12.065 1.321) 12.384 5.786 ( 2.753 -5.589 -0.626) 6.262 5.786 ( 2.753 5.589 -0.626) 6.262 5.890 ( -4.675 -1.811 0.458) 5.035 5.890 ( -4.675 1.811 0.458) 5.035 6.119 ( 1.902 -7.798 6.039) 10.045 6.119 ( 1.902 7.798 6.039) 10.045 6.421 ( 0.824 -1.904 4.794) 5.224 6.421 ( 0.824 1.904 4.794) 5.224 6.477 ( 1.299 -4.814 3.420) 6.047 6.477 ( 1.299 4.814 3.420) 6.047 6.816 ( 4.047 -4.090 2.956) 6.468 6.816 ( 4.047 4.090 2.956) 6.468 7.108 ( -8.285 -5.815 -2.080) 10.333 7.108 ( -8.285 5.815 -2.080) 10.333 7.213 ( -1.076 -1.618 -14.367) 14.498 7.213 ( -1.076 1.618 -14.367) 14.498 7.621 ( 0.260 -3.939 -0.503) 3.979 7.621 ( 0.260 3.939 -0.503) 3.979 7.981 ( -4.512 -5.321 -5.777) 9.058 7.981 ( -4.512 5.321 -5.777) 9.058 8.061 ( 3.911 -2.979 -1.375) 5.105 8.061 ( 3.911 2.979 -1.375) 5.105 8.407 ( 2.313 -8.389 -2.342) 9.012 8.407 ( 2.313 8.389 -2.342) 9.012 8.527 ( -2.856 -11.445 0.246) 11.799 8.527 ( -2.856 11.445 0.246) 11.799 8.686 ( 3.220 -10.155 -2.183) 10.875 8.686 ( 3.220 10.155 -2.183) 10.875 8.917 ( 2.593 -3.248 0.301) 4.167 8.917 ( 2.593 3.248 0.301) 4.167 9.280 ( -2.044 -3.101 4.351) 5.721 9.280 ( -2.044 3.101 4.351) 5.721 9.436 ( 5.423 -1.157 0.807) 5.604 9.436 ( 5.423 1.157 0.807) 5.604 9.595 ( -5.426 -4.806 4.263) 8.409 9.595 ( -5.426 4.806 4.263) 8.409 9.943 ( 5.375 -7.371 1.656) 9.272 9.943 ( 5.375 7.371 1.656) 9.272 10.126 ( -1.380 -2.628 0.446) 3.002 10.126 ( -1.380 2.628 0.446) 3.002 10.541 ( 2.211 -4.214 2.706) 5.475 10.541 ( 2.211 4.214 2.706) 5.475 10.784 ( -3.688 -3.573 -2.329) 5.638 10.784 ( -3.688 3.573 -2.329) 5.638 11.295 ( 1.479 -6.049 -2.651) 6.768 11.295 ( 1.479 6.049 -2.651) 6.768 11.520 ( -1.844 -1.980 2.372) 3.598 11.520 ( -1.844 1.980 2.372) 3.598 12.465 ( -5.125 -6.656 3.040) 8.934 12.465 ( -5.125 6.656 3.040) 8.934 12.623 ( 6.024 -7.088 -4.343) 10.266 12.623 ( 6.024 7.088 -4.343) 10.266 12.942 ( -2.514 -4.413 6.051) 7.900 12.942 ( -2.514 4.413 6.051) 7.900 13.136 ( -1.015 -2.793 0.309) 2.988 13.136 ( -1.015 2.793 0.309) 2.988 15.306 ( 4.885 -12.568 4.442) 14.197 15.306 ( 4.885 12.568 4.442) 14.197 15.594 ( -9.098 -8.253 0.713) 12.305 15.594 ( -9.098 8.253 0.713) 12.305 16.206 ( 2.258 -1.474 -0.499) 2.742 16.206 ( 2.258 1.474 -0.499) 2.742 17.347 ( 1.679 -3.923 -2.766) 5.085 17.347 ( 1.679 3.923 -2.766) 5.085 17.535 ( -0.276 -1.984 5.043) 5.426 17.535 ( -0.276 1.984 5.043) 5.426 18.036 ( -0.954 -7.350 -3.132) 8.046 18.036 ( -0.954 7.350 -3.132) 8.046 21.531 ( 1.048 -0.370 -2.502) 2.738 21.531 ( 1.048 0.370 -2.502) 2.738 21.623 ( -0.324 -0.266 -0.312) 0.523 21.623 ( -0.324 0.266 -0.312) 0.523 21.819 ( 0.917 -2.536 -0.200) 2.704 21.819 ( 0.917 2.536 -0.200) 2.704 22.110 ( -1.937 -1.542 0.052) 2.476 22.110 ( -1.937 1.542 0.052) 2.476 22.313 ( 0.496 -0.945 7.223) 7.301 22.313 ( 0.496 0.945 7.223) 7.301 23.323 ( 0.762 -1.719 -5.112) 5.447 23.323 ( 0.762 1.719 -5.112) 5.447 ======================= Grid point 163 (89/112) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( -10.262 -4.135 9.385) 14.508 1.725 ( -10.262 4.135 9.385) 14.508 1.953 ( 0.787 -9.772 5.718) 11.349 1.953 ( 0.787 9.772 5.718) 11.349 2.138 ( -0.961 -8.858 4.183) 9.843 2.138 ( -0.961 8.858 4.183) 9.843 2.240 ( 11.107 -4.614 -4.232) 12.751 2.240 ( 11.107 4.614 -4.232) 12.751 2.433 ( 3.827 -5.516 5.206) 8.495 2.433 ( 3.827 5.516 5.206) 8.495 2.675 ( -0.561 -8.544 9.956) 13.132 2.675 ( -0.561 8.544 9.956) 13.132 2.967 ( 4.875 -1.272 2.418) 5.588 2.967 ( 4.875 1.272 2.418) 5.588 3.132 ( -3.634 -4.163 10.841) 12.168 3.132 ( -3.634 4.163 10.841) 12.168 3.197 ( 4.871 -4.562 -5.183) 8.450 3.197 ( 4.871 4.562 -5.183) 8.450 3.380 ( 2.031 -2.708 -4.785) 5.861 3.380 ( 2.031 2.708 -4.785) 5.861 3.573 ( -1.918 -0.664 3.166) 3.760 3.573 ( -1.918 0.664 3.166) 3.760 3.804 ( -1.875 -3.530 9.139) 9.975 3.804 ( -1.875 3.530 9.139) 9.975 4.334 ( 1.199 -5.017 -15.989) 16.800 4.334 ( 1.199 5.017 -15.989) 16.800 4.482 ( -7.100 -10.412 -9.093) 15.540 4.482 ( -7.100 10.412 -9.093) 15.540 4.660 ( -0.172 -0.965 -5.813) 5.895 4.660 ( -0.172 0.965 -5.813) 5.895 4.770 ( 0.043 -6.742 -4.582) 8.152 4.770 ( 0.043 6.742 -4.582) 8.152 5.003 ( 2.664 -0.863 0.580) 2.860 5.003 ( 2.664 0.863 0.580) 2.860 5.255 ( -7.959 -6.210 -4.487) 11.047 5.255 ( -7.959 6.210 -4.487) 11.047 5.387 ( 6.038 -5.285 0.458) 8.038 5.387 ( 6.038 5.285 0.458) 8.038 5.575 ( -3.175 -9.895 1.518) 10.502 5.575 ( -3.175 9.895 1.518) 10.502 5.791 ( -7.648 -0.419 2.024) 7.922 5.791 ( -7.648 0.419 2.024) 7.922 5.858 ( 2.523 -6.171 1.324) 6.797 5.858 ( 2.523 6.171 1.324) 6.797 6.184 ( -2.872 -4.087 1.700) 5.276 6.184 ( -2.872 4.087 1.700) 5.276 6.466 ( 1.515 -7.491 0.987) 7.707 6.466 ( 1.515 7.491 0.987) 7.707 6.598 ( 8.386 -3.468 2.150) 9.326 6.598 ( 8.386 3.468 2.150) 9.326 6.791 ( -1.260 -4.179 -12.240) 12.995 6.791 ( -1.260 4.179 -12.240) 12.995 7.026 ( -2.914 -2.477 1.706) 4.187 7.026 ( -2.914 2.477 1.706) 4.187 7.112 ( 4.599 -4.712 1.078) 6.671 7.112 ( 4.599 4.712 1.078) 6.671 7.631 ( -0.857 -3.007 1.247) 3.366 7.631 ( -0.857 3.007 1.247) 3.366 7.854 ( -5.498 -5.360 -2.799) 8.172 7.854 ( -5.498 5.360 -2.799) 8.172 8.078 ( 2.207 -1.480 -3.212) 4.169 8.078 ( 2.207 1.480 -3.212) 4.169 8.362 ( -2.788 -2.142 -1.923) 4.008 8.362 ( -2.788 2.142 -1.923) 4.008 8.494 ( -5.008 -11.486 3.217) 12.937 8.494 ( -5.008 11.486 3.217) 12.937 8.735 ( 9.090 -12.875 -3.749) 16.200 8.735 ( 9.090 12.875 -3.749) 16.200 8.948 ( 2.607 -1.485 -1.296) 3.268 8.948 ( 2.607 1.485 -1.296) 3.268 9.271 ( -4.262 -2.197 1.404) 4.996 9.271 ( -4.262 2.197 1.404) 4.996 9.463 ( -5.478 -1.943 1.911) 6.119 9.463 ( -5.478 1.943 1.911) 6.119 9.625 ( 1.853 -6.939 4.253) 8.347 9.625 ( 1.853 6.939 4.253) 8.347 9.979 ( -5.774 -8.162 1.019) 10.049 9.979 ( -5.774 8.162 1.019) 10.049 10.142 ( 6.507 -4.997 -0.690) 8.234 10.142 ( 6.507 4.997 -0.690) 8.234 10.600 ( 0.181 -6.076 0.656) 6.114 10.600 ( 0.181 6.076 0.656) 6.114 10.752 ( 5.364 -1.056 -1.286) 5.616 10.752 ( 5.364 1.056 -1.286) 5.616 11.265 ( -2.666 -1.158 -0.941) 3.055 11.265 ( -2.666 1.158 -0.941) 3.055 11.549 ( 3.043 -2.082 0.911) 3.798 11.549 ( 3.043 2.082 0.911) 3.798 12.438 ( -5.201 -6.915 3.250) 9.243 12.438 ( -5.201 6.915 3.250) 9.243 12.639 ( 5.286 -6.614 -4.708) 9.688 12.639 ( 5.286 6.614 -4.708) 9.688 12.972 ( -4.725 -3.845 5.498) 8.206 12.972 ( -4.725 3.845 5.498) 8.206 13.149 ( 3.050 -3.456 -0.122) 4.611 13.149 ( 3.050 3.456 -0.122) 4.611 15.451 ( -8.394 -10.259 -0.907) 13.287 15.451 ( -8.394 10.259 -0.907) 13.287 15.480 ( 8.889 -9.392 5.312) 13.980 15.480 ( 8.889 9.392 5.312) 13.980 16.235 ( 2.465 -0.804 -1.157) 2.839 16.235 ( 2.465 0.804 -1.157) 2.839 17.301 ( -3.691 -2.946 -1.573) 4.978 17.301 ( -3.691 2.946 -1.573) 4.978 17.606 ( 0.053 -5.979 2.456) 6.464 17.606 ( 0.053 5.979 2.456) 6.464 17.994 ( 2.071 -7.460 -1.543) 7.895 17.994 ( 2.071 7.460 -1.543) 7.895 21.507 ( 0.073 -0.314 -1.805) 1.834 21.507 ( 0.073 0.314 -1.805) 1.834 21.613 ( -0.822 -0.749 0.142) 1.121 21.613 ( -0.822 0.749 0.142) 1.121 21.819 ( -0.887 -0.351 -0.226) 0.980 21.819 ( -0.887 0.351 -0.226) 0.980 22.108 ( 1.709 -0.133 -0.124) 1.718 22.108 ( 1.709 0.133 -0.124) 1.718 22.413 ( 0.333 -0.705 5.762) 5.814 22.413 ( 0.333 0.705 5.762) 5.814 23.252 ( -0.988 -0.404 -4.372) 4.501 23.252 ( -0.988 0.404 -4.372) 4.501 ======================= Grid point 165 (90/112) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.681 ( -7.380 -2.274 5.297) 9.365 1.681 ( -7.380 2.274 5.297) 9.365 1.955 ( -2.300 -8.537 -0.241) 8.844 1.955 ( -2.300 8.537 -0.241) 8.844 2.178 ( 0.835 -5.795 -1.977) 6.180 2.178 ( 0.835 5.795 -1.977) 6.180 2.312 ( 10.147 -4.583 -6.751) 13.021 2.312 ( 10.147 4.583 -6.751) 13.021 2.634 ( 9.434 -1.985 7.547) 12.243 2.634 ( 9.434 1.985 7.547) 12.243 2.719 ( 0.199 -7.072 -2.916) 7.652 2.719 ( 0.199 7.072 -2.916) 7.652 2.985 ( 2.018 -1.539 -3.601) 4.406 2.985 ( 2.018 1.539 -3.601) 4.406 3.118 ( 1.868 -1.173 -5.686) 6.099 3.118 ( 1.868 1.173 -5.686) 6.099 3.331 ( 5.482 -4.813 7.161) 10.223 3.331 ( 5.482 4.813 7.161) 10.223 3.451 ( 9.324 -1.957 1.365) 9.625 3.451 ( 9.324 1.957 1.365) 9.625 3.560 ( -3.508 -3.450 0.479) 4.943 3.560 ( -3.508 3.450 0.479) 4.943 3.880 ( -3.857 -5.971 0.993) 7.177 3.880 ( -3.857 5.971 0.993) 7.177 4.161 ( -0.423 -0.718 -3.095) 3.205 4.161 ( -0.423 0.718 -3.095) 3.205 4.283 ( -10.990 -10.842 1.584) 15.519 4.283 ( -10.990 10.842 1.584) 15.519 4.639 ( 1.888 -2.877 -1.978) 3.969 4.639 ( 1.888 2.877 -1.978) 3.969 4.785 ( -0.108 -9.308 5.970) 11.059 4.785 ( -0.108 9.308 5.970) 11.059 5.006 ( -0.827 -1.214 -5.340) 5.539 5.006 ( -0.827 1.214 -5.340) 5.539 5.126 ( -4.253 -0.308 2.871) 5.141 5.126 ( -4.253 0.308 2.871) 5.141 5.446 ( 2.610 -4.767 -1.675) 5.687 5.446 ( 2.610 4.767 -1.675) 5.687 5.535 ( -6.321 -10.511 2.510) 12.519 5.535 ( -6.321 10.511 2.510) 12.519 5.696 ( -6.560 -2.845 -1.078) 7.231 5.696 ( -6.560 2.845 -1.078) 7.231 5.902 ( -1.085 -3.178 1.831) 3.825 5.902 ( -1.085 3.178 1.831) 3.825 6.101 ( -8.056 -4.549 0.107) 9.252 6.101 ( -8.056 4.549 0.107) 9.252 6.501 ( 5.492 -7.506 -3.687) 10.004 6.501 ( 5.492 7.506 -3.687) 10.004 6.646 ( 1.249 -3.062 -3.484) 4.803 6.646 ( 1.249 3.062 -3.484) 4.803 6.752 ( 7.651 -4.275 1.352) 8.867 6.752 ( 7.651 4.275 1.352) 8.867 6.967 ( -2.969 -2.411 -0.002) 3.824 6.967 ( -2.969 2.411 -0.002) 3.824 7.300 ( 9.487 -1.687 4.706) 10.724 7.300 ( 9.487 1.687 4.706) 10.724 7.605 ( -2.763 -6.617 -0.815) 7.217 7.605 ( -2.763 6.617 -0.815) 7.217 7.751 ( -10.351 -3.324 3.082) 11.301 7.751 ( -10.351 3.324 3.082) 11.301 8.041 ( 0.667 -3.118 -3.782) 4.946 8.041 ( 0.667 3.118 -3.782) 4.946 8.312 ( -4.343 -9.549 2.232) 10.726 8.312 ( -4.343 9.549 2.232) 10.726 8.486 ( -1.279 -10.586 1.780) 10.811 8.486 ( -1.279 10.586 1.780) 10.811 8.801 ( 7.603 -10.037 -4.892) 13.508 8.801 ( 7.603 10.037 -4.892) 13.508 8.941 ( -0.896 -3.494 -1.462) 3.892 8.941 ( -0.896 3.494 -1.462) 3.892 9.223 ( -5.682 -5.185 1.917) 7.927 9.223 ( -5.682 5.185 1.917) 7.927 9.389 ( -3.662 -1.685 -0.696) 4.091 9.389 ( -3.662 1.685 -0.696) 4.091 9.708 ( -0.412 -4.082 4.562) 6.135 9.708 ( -0.412 4.082 4.562) 6.135 9.883 ( -4.488 -12.494 -2.314) 13.476 9.883 ( -4.488 12.494 -2.314) 13.476 10.225 ( 6.041 -5.092 -1.328) 8.011 10.225 ( 6.041 5.092 -1.328) 8.011 10.577 ( -0.005 -5.326 -2.218) 5.770 10.577 ( -0.005 5.326 -2.218) 5.770 10.863 ( 9.026 -3.204 0.180) 9.580 10.863 ( 9.026 3.204 0.180) 9.580 11.206 ( -4.654 -3.265 0.173) 5.688 11.206 ( -4.654 3.265 0.173) 5.688 11.616 ( 5.608 -3.839 -0.384) 6.807 11.616 ( 5.608 3.839 -0.384) 6.807 12.407 ( -6.196 -8.141 3.594) 10.844 12.407 ( -6.196 8.141 3.594) 10.844 12.649 ( 5.229 -6.558 -3.958) 9.274 12.649 ( 5.229 6.558 -3.958) 9.274 12.967 ( -4.463 -2.615 3.276) 6.123 12.967 ( -4.463 2.615 3.276) 6.123 13.203 ( 4.832 -4.229 -0.614) 6.451 13.203 ( 4.832 4.229 -0.614) 6.451 15.317 ( -6.149 -13.122 -2.335) 14.678 15.317 ( -6.149 13.122 -2.335) 14.678 15.730 ( 14.296 -5.673 6.147) 16.563 15.730 ( 14.296 5.673 6.147) 16.563 16.223 ( 0.662 -0.301 -4.188) 4.251 16.223 ( 0.662 0.301 -4.188) 4.251 17.226 ( -5.552 -5.966 0.643) 8.175 17.226 ( -5.552 5.966 0.643) 8.175 17.544 ( -9.688 -14.926 -0.505) 17.802 17.544 ( -9.688 14.926 -0.505) 17.802 18.089 ( 10.595 -20.614 0.464) 23.182 18.089 ( 10.595 20.614 0.464) 23.182 21.488 ( -0.703 -0.588 -0.345) 0.979 21.488 ( -0.703 0.588 -0.345) 0.979 21.608 ( -0.563 -1.722 0.502) 1.880 21.608 ( -0.563 1.722 0.502) 1.880 21.790 ( -2.524 -1.923 -0.140) 3.176 21.790 ( -2.524 1.923 -0.140) 3.176 22.151 ( 4.458 -1.323 0.075) 4.651 22.151 ( 4.458 1.323 0.075) 4.651 22.452 ( -0.281 -0.774 -0.608) 1.024 22.452 ( -0.281 0.774 -0.608) 1.024 23.197 ( -2.535 -3.199 0.205) 4.086 23.197 ( -2.535 3.199 0.205) 4.086 ======================= Grid point 167 (91/112) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 1.264 -7.958 3.399) 8.745 1.701 ( 1.264 7.958 3.399) 8.745 1.902 ( -0.447 -14.351 -5.954) 15.543 1.902 ( -0.447 14.351 -5.954) 15.543 2.115 ( 0.157 -8.087 -6.628) 10.457 2.115 ( 0.157 8.087 -6.628) 10.457 2.326 ( 9.233 -3.315 -8.747) 13.143 2.326 ( 9.233 3.315 -8.747) 13.143 2.657 ( -0.031 -2.746 -3.826) 4.709 2.657 ( -0.031 2.746 -3.826) 4.709 2.813 ( 9.442 -2.989 -4.895) 11.047 2.813 ( 9.442 2.989 -4.895) 11.047 2.976 ( 5.779 -4.888 -3.210) 8.221 2.976 ( 5.779 4.888 -3.210) 8.221 3.104 ( 1.097 -3.570 0.014) 3.734 3.104 ( 1.097 3.570 0.014) 3.734 3.438 ( -1.713 -2.477 -1.533) 3.379 3.438 ( -1.713 2.477 -1.533) 3.379 3.520 ( 3.852 -1.431 1.596) 4.408 3.520 ( 3.852 1.431 1.596) 4.408 3.590 ( 8.428 -4.825 -0.143) 9.713 3.590 ( 8.428 4.825 -0.143) 9.713 3.838 ( -2.189 -9.491 1.699) 9.888 3.838 ( -2.189 9.491 1.699) 9.888 3.998 ( -6.590 -10.581 -6.699) 14.151 3.998 ( -6.590 10.581 -6.699) 14.151 4.355 ( -6.888 -4.660 14.079) 16.352 4.355 ( -6.888 4.660 14.079) 16.352 4.667 ( -1.667 -0.913 5.146) 5.485 4.667 ( -1.667 0.913 5.146) 5.485 4.808 ( -8.624 -4.233 3.535) 10.237 4.808 ( -8.624 4.233 3.535) 10.237 4.937 ( -0.478 -2.096 0.601) 2.232 4.937 ( -0.478 2.096 0.601) 2.232 5.170 ( 1.736 -2.801 2.557) 4.171 5.170 ( 1.736 2.801 2.557) 4.171 5.411 ( -3.543 -1.596 -1.408) 4.133 5.411 ( -3.543 1.596 -1.408) 4.133 5.469 ( -4.243 -5.913 -0.650) 7.307 5.469 ( -4.243 5.913 -0.650) 7.307 5.628 ( -1.766 -6.837 0.298) 7.068 5.628 ( -1.766 6.837 0.298) 7.068 5.883 ( -3.985 -6.446 2.987) 8.146 5.883 ( -3.985 6.446 2.987) 8.146 6.031 ( -3.924 -3.860 2.312) 5.970 6.031 ( -3.924 3.860 2.312) 5.970 6.505 ( 5.856 -4.405 -6.577) 9.847 6.505 ( 5.856 4.405 -6.577) 9.847 6.676 ( 1.711 -1.639 0.468) 2.415 6.676 ( 1.711 1.639 0.468) 2.415 6.824 ( 4.092 -2.266 -3.160) 5.645 6.824 ( 4.092 2.266 -3.160) 5.645 7.026 ( 2.388 -1.979 10.388) 10.841 7.026 ( 2.388 1.979 10.388) 10.841 7.364 ( -3.380 -1.785 -1.584) 4.138 7.364 ( -3.380 1.785 -1.584) 4.138 7.618 ( -6.726 -0.697 4.949) 8.379 7.618 ( -6.726 0.697 4.949) 8.379 7.674 ( -0.280 -4.949 6.559) 8.221 7.674 ( -0.279 4.949 6.559) 8.221 8.014 ( -0.351 -1.874 -0.792) 2.065 8.014 ( -0.351 1.874 -0.792) 2.065 8.316 ( -1.198 -13.020 3.863) 13.634 8.316 ( -1.198 13.020 3.863) 13.634 8.477 ( -0.829 -7.941 -1.889) 8.205 8.477 ( -0.829 7.941 -1.889) 8.205 8.764 ( -3.448 -5.838 -4.381) 8.073 8.764 ( -3.448 5.838 -4.381) 8.073 8.927 ( 0.204 -12.165 0.974) 12.206 8.927 ( 0.204 12.165 0.974) 12.206 9.180 ( -1.072 -5.283 -0.953) 5.475 9.180 ( -1.072 5.283 -0.953) 5.475 9.384 ( 2.650 -4.194 0.207) 4.966 9.384 ( 2.650 4.194 0.207) 4.966 9.689 ( -6.418 -9.419 -0.080) 11.398 9.689 ( -6.418 9.419 -0.080) 11.398 9.840 ( 0.833 -7.026 -0.567) 7.098 9.840 ( 0.833 7.026 -0.567) 7.098 10.266 ( 5.256 -4.204 -3.715) 7.688 10.266 ( 5.256 4.204 -3.715) 7.688 10.555 ( 1.148 -7.243 -2.229) 7.665 10.555 ( 1.148 7.243 -2.229) 7.665 10.957 ( 5.229 -1.410 -1.831) 5.717 10.957 ( 5.229 1.410 -1.831) 5.717 11.162 ( -3.294 -2.792 2.193) 4.843 11.162 ( -3.294 2.792 2.193) 4.843 11.679 ( 5.670 -3.566 -1.991) 6.988 11.679 ( 5.670 3.566 -1.991) 6.988 12.367 ( -6.807 -9.374 3.913) 12.228 12.367 ( -6.807 9.374 3.913) 12.228 12.680 ( 5.627 -7.303 -2.591) 9.576 12.680 ( 5.627 7.303 -2.591) 9.576 12.940 ( -3.573 -0.475 0.952) 3.728 12.940 ( -3.573 0.475 0.952) 3.728 13.248 ( 3.918 -4.413 -2.104) 6.265 13.248 ( 3.918 4.413 -2.104) 6.265 15.231 ( -2.871 -14.990 -1.085) 15.301 15.231 ( -2.871 14.990 -1.085) 15.301 15.983 ( 15.739 -4.263 -6.131) 17.421 15.983 ( 15.739 4.263 -6.131) 17.421 16.161 ( -0.499 -1.196 0.717) 1.481 16.161 ( -0.499 1.196 0.717) 1.481 17.183 ( -4.350 -7.906 3.331) 9.619 17.183 ( -4.350 7.906 3.331) 9.619 17.398 ( -13.668 -13.083 4.911) 19.547 17.398 ( -13.668 13.083 4.911) 19.547 18.217 ( 10.414 -21.627 -4.800) 24.479 18.217 ( 10.414 21.627 -4.800) 24.479 21.477 ( -1.314 -0.631 0.569) 1.565 21.477 ( -1.314 0.631 0.569) 1.565 21.609 ( -0.293 -1.883 0.428) 1.953 21.609 ( -0.293 1.883 0.428) 1.953 21.760 ( -2.273 -2.781 0.896) 3.702 21.760 ( -2.273 2.781 0.896) 3.702 22.229 ( 6.171 -1.883 0.646) 6.484 22.229 ( 6.171 1.883 0.646) 6.484 22.394 ( -0.626 -0.916 -6.117) 6.217 22.394 ( -0.626 0.916 -6.117) 6.217 23.186 ( -3.971 -4.991 4.330) 7.709 23.186 ( -3.971 4.991 4.330) 7.709 ======================= Grid point 169 (92/112) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( -0.750 -7.466 -2.303) 7.849 1.758 ( -0.750 7.466 -2.303) 7.849 1.798 ( -0.797 -3.970 -0.278) 4.059 1.798 ( -0.797 3.970 -0.278) 4.059 2.067 ( 7.579 -6.144 -7.719) 12.441 2.067 ( 7.579 6.144 -7.719) 12.441 2.360 ( 9.731 -1.813 -6.198) 11.679 2.360 ( 9.731 1.813 -6.198) 11.679 2.611 ( 1.075 -3.828 -4.211) 5.792 2.611 ( 1.075 3.828 -4.211) 5.792 2.797 ( 4.892 -5.482 -9.410) 11.939 2.797 ( 4.892 5.482 -9.410) 11.939 2.960 ( -0.464 -6.735 -5.762) 8.876 2.960 ( -0.464 6.735 -5.762) 8.876 3.164 ( 5.389 -2.951 -0.247) 6.149 3.164 ( 5.389 2.951 -0.247) 6.149 3.338 ( -6.982 -3.092 -2.822) 8.141 3.338 ( -6.982 3.092 -2.822) 8.141 3.576 ( 3.559 -7.667 -5.903) 10.310 3.576 ( 3.559 7.667 -5.903) 10.310 3.640 ( -0.609 -4.253 0.183) 4.300 3.640 ( -0.609 4.253 0.183) 4.300 3.891 ( 4.100 -8.956 8.767) 13.187 3.891 ( 4.100 8.956 8.767) 13.187 3.973 ( 5.551 -3.889 3.260) 7.521 3.973 ( 5.551 3.889 3.260) 7.521 4.335 ( -15.441 -6.136 5.430) 17.480 4.335 ( -15.441 6.136 5.430) 17.480 4.641 ( -7.220 -6.018 1.648) 9.542 4.641 ( -7.220 6.018 1.648) 9.542 4.788 ( -2.841 -2.995 5.925) 7.221 4.788 ( -2.841 2.995 5.925) 7.221 4.937 ( -1.825 -1.603 -0.131) 2.432 4.937 ( -1.825 1.603 -0.131) 2.432 5.207 ( -0.564 -2.337 1.843) 3.029 5.207 ( -0.564 2.337 1.843) 3.029 5.343 ( -1.290 -4.784 -3.263) 5.933 5.343 ( -1.290 4.784 -3.263) 5.933 5.458 ( 1.717 -6.326 2.189) 6.911 5.458 ( 1.717 6.326 2.189) 6.911 5.611 ( -2.751 -0.780 1.150) 3.082 5.611 ( -2.751 0.780 1.150) 3.082 5.912 ( -2.417 -13.077 6.547) 14.823 5.912 ( -2.417 13.077 6.547) 14.823 6.061 ( 0.745 -1.653 4.617) 4.961 6.061 ( 0.745 1.653 4.617) 4.961 6.490 ( 5.087 -1.898 -6.113) 8.176 6.490 ( 5.087 1.898 -6.113) 8.176 6.658 ( -0.363 -3.161 -4.003) 5.113 6.658 ( -0.363 3.161 -4.003) 5.113 6.790 ( -0.594 -3.787 -4.713) 6.075 6.790 ( -0.594 3.787 -4.713) 6.075 7.222 ( 1.110 -1.034 8.353) 8.490 7.222 ( 1.110 1.034 8.353) 8.490 7.325 ( -2.674 -1.966 6.190) 7.023 7.325 ( -2.674 1.966 6.190) 7.023 7.582 ( -6.313 -2.012 10.654) 12.546 7.582 ( -6.313 2.012 10.654) 12.546 7.845 ( 2.587 -3.233 7.060) 8.185 7.845 ( 2.587 3.233 7.060) 8.185 8.014 ( 1.995 -1.556 1.325) 2.856 8.014 ( 1.995 1.556 1.325) 2.856 8.352 ( 0.276 -8.760 0.090) 8.765 8.352 ( 0.276 8.760 0.090) 8.765 8.438 ( -0.626 -2.552 0.621) 2.700 8.438 ( -0.626 2.552 0.621) 2.700 8.650 ( -5.764 -10.488 -1.402) 12.049 8.650 ( -5.764 10.488 -1.402) 12.049 8.946 ( 0.911 -11.763 -0.011) 11.798 8.946 ( 0.911 11.763 -0.011) 11.798 9.160 ( 2.687 -3.307 -4.638) 6.298 9.160 ( 2.687 3.307 -4.638) 6.298 9.430 ( 3.136 -2.786 -0.212) 4.200 9.430 ( 3.136 2.786 -0.212) 4.200 9.578 ( -6.156 -8.903 -2.718) 11.160 9.578 ( -6.156 8.903 -2.718) 11.160 9.859 ( -0.382 -5.270 2.698) 5.933 9.859 ( -0.382 5.270 2.698) 5.933 10.276 ( 6.135 -1.980 -6.289) 9.006 10.276 ( 6.135 1.980 -6.289) 9.006 10.547 ( 0.292 -8.581 -0.350) 8.593 10.547 ( 0.292 8.581 -0.350) 8.593 10.945 ( 0.447 -1.258 -4.945) 5.122 10.945 ( 0.447 1.258 -4.945) 5.122 11.183 ( -0.798 -0.747 4.428) 4.561 11.183 ( -0.798 0.747 4.428) 4.561 11.711 ( 4.558 -3.438 -3.882) 6.904 11.711 ( 4.558 3.438 -3.882) 6.904 12.337 ( -5.807 -10.181 4.720) 12.635 12.337 ( -5.807 10.181 4.720) 12.635 12.716 ( 4.213 -8.023 -3.317) 9.650 12.716 ( 4.213 8.023 -3.317) 9.650 12.910 ( -2.094 -4.048 1.610) 4.834 12.910 ( -2.094 4.048 1.610) 4.834 13.242 ( 1.338 -4.885 -4.236) 6.603 13.242 ( 1.338 4.885 -4.236) 6.603 15.211 ( 0.069 -15.099 0.946) 15.129 15.211 ( 0.069 15.099 0.946) 15.129 15.874 ( -0.854 -3.782 -15.275) 15.760 15.874 ( -0.854 3.782 -15.275) 15.760 16.319 ( 9.447 -0.681 3.361) 10.050 16.319 ( 9.447 0.681 3.361) 10.050 17.188 ( -3.010 -7.255 4.248) 8.929 17.188 ( -3.010 7.255 4.248) 8.929 17.358 ( -7.689 -13.103 11.948) 19.328 17.358 ( -7.689 13.103 11.948) 19.328 18.215 ( 4.576 -21.404 -10.595) 24.317 18.215 ( 4.576 21.404 -10.595) 24.317 21.468 ( -0.984 -0.306 0.572) 1.179 21.468 ( -0.984 0.306 0.572) 1.179 21.611 ( -0.190 -1.511 0.405) 1.576 21.611 ( -0.190 1.511 0.405) 1.576 21.756 ( -1.192 -2.579 2.024) 3.488 21.756 ( -1.192 2.579 2.024) 3.488 22.295 ( -0.508 -0.922 -6.492) 6.577 22.295 ( -0.508 0.922 -6.492) 6.577 22.326 ( 5.407 -1.617 0.824) 5.704 22.326 ( 5.407 1.617 0.824) 5.704 23.196 ( -3.450 -4.844 4.662) 7.557 23.196 ( -3.450 4.844 4.662) 7.557 ======================= Grid point 189 (93/112) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( -9.965 0.000 0.424) 9.974 0.789 ( 9.965 0.000 -0.424) 9.974 1.750 ( 1.907 0.000 -14.727) 14.850 1.750 ( -1.907 0.000 14.727) 14.850 1.942 ( -11.356 0.000 -8.210) 14.013 1.942 ( 11.356 0.000 8.210) 14.013 2.411 ( -5.947 0.000 -8.542) 10.408 2.411 ( 5.947 0.000 8.542) 10.408 2.544 ( 7.959 0.000 -8.238) 11.455 2.544 ( -7.959 0.000 8.238) 11.455 3.033 ( -2.422 0.000 -6.105) 6.568 3.033 ( 2.422 0.000 6.105) 6.568 3.067 ( 1.475 0.000 -1.234) 1.923 3.067 ( -1.475 0.000 1.234) 1.923 3.249 ( 4.113 0.000 -8.930) 9.832 3.249 ( -4.113 0.000 8.930) 9.832 3.312 ( -5.477 0.000 1.312) 5.632 3.312 ( 5.477 0.000 -1.312) 5.632 3.444 ( 5.835 0.000 -5.207) 7.821 3.444 ( -5.835 0.000 5.207) 7.821 3.562 ( -2.426 0.000 -2.308) 3.348 3.562 ( 2.426 0.000 2.308) 3.348 3.872 ( -3.130 0.000 -5.446) 6.281 3.872 ( 3.130 0.000 5.446) 6.281 4.039 ( -5.964 0.000 -5.976) 8.443 4.039 ( 5.964 0.000 5.976) 8.443 4.064 ( -7.652 0.000 -8.916) 11.749 4.064 ( 7.652 0.000 8.916) 11.749 4.580 ( -1.579 0.000 -1.940) 2.501 4.580 ( 1.579 0.000 1.940) 2.501 4.666 ( -5.661 0.000 -4.724) 7.373 4.666 ( 5.661 0.000 4.724) 7.373 4.732 ( 1.897 0.000 -4.453) 4.840 4.732 ( -1.897 0.000 4.453) 4.840 4.931 ( -4.487 0.000 -0.921) 4.581 4.931 ( 4.487 0.000 0.921) 4.581 5.017 ( 5.683 0.000 -9.623) 11.175 5.017 ( -5.683 0.000 9.623) 11.175 5.536 ( -2.999 0.000 -0.267) 3.011 5.536 ( 2.999 0.000 0.267) 3.011 5.739 ( -0.807 0.000 -6.786) 6.833 5.739 ( 0.807 0.000 6.786) 6.833 5.975 ( 2.513 0.000 -0.995) 2.703 5.975 ( -2.513 0.000 0.995) 2.703 6.164 ( 1.461 0.000 -4.984) 5.194 6.164 ( -1.461 0.000 4.984) 5.194 6.288 ( 2.465 0.000 -3.676) 4.426 6.288 ( -2.465 0.000 3.676) 4.426 6.845 ( 6.420 0.000 -3.671) 7.395 6.845 ( -6.420 0.000 3.671) 7.395 7.055 ( -6.284 0.000 -3.256) 7.078 7.055 ( 6.284 0.000 3.256) 7.078 7.366 ( 6.656 0.000 -9.084) 11.262 7.366 ( -6.656 0.000 9.084) 11.262 7.465 ( -2.188 0.000 -0.169) 2.194 7.465 ( 2.188 0.000 0.169) 2.194 7.547 ( -3.564 0.000 -5.130) 6.246 7.547 ( 3.564 0.000 5.130) 6.246 7.806 ( -7.320 0.000 -2.686) 7.797 7.806 ( 7.320 0.000 2.686) 7.797 8.017 ( -9.420 0.000 -5.658) 10.989 8.017 ( 9.420 0.000 5.658) 10.989 8.251 ( -1.121 0.000 -3.128) 3.323 8.251 ( 1.121 0.000 3.128) 3.323 8.310 ( -0.434 0.000 -1.761) 1.814 8.310 ( 0.434 0.000 1.761) 1.814 8.473 ( -5.208 0.000 -14.278) 15.198 8.473 ( 5.208 0.000 14.278) 15.198 8.857 ( -6.988 0.000 -3.033) 7.618 8.857 ( 6.988 0.000 3.033) 7.618 9.031 ( 0.618 0.000 -1.481) 1.604 9.031 ( -0.618 0.000 1.481) 1.604 9.677 ( -1.284 0.000 -7.631) 7.738 9.677 ( 1.284 0.000 7.631) 7.738 9.811 ( 4.544 0.000 -1.840) 4.902 9.811 ( -4.544 0.000 1.840) 4.902 9.956 ( -1.641 0.000 -1.158) 2.008 9.956 ( 1.641 0.000 1.158) 2.008 10.284 ( 10.784 0.000 -7.507) 13.140 10.284 ( -10.784 0.000 7.507) 13.140 10.601 ( -3.579 0.000 -7.926) 8.696 10.601 ( 3.579 0.000 7.926) 8.696 10.979 ( 2.416 0.000 -1.568) 2.880 10.979 ( -2.416 0.000 1.568) 2.880 11.141 ( -8.340 0.000 -1.069) 8.409 11.141 ( 8.340 0.000 1.069) 8.409 11.654 ( -0.390 0.000 -0.174) 0.426 11.654 ( 0.390 0.000 0.174) 0.426 12.244 ( 9.426 0.000 -8.041) 12.389 12.244 ( -9.426 0.000 8.041) 12.389 12.761 ( -14.178 0.000 1.703) 14.280 12.761 ( 14.178 0.000 -1.703) 14.280 13.027 ( 1.262 0.000 -7.673) 7.776 13.027 ( -1.262 0.000 7.673) 7.776 13.281 ( -0.515 0.000 -2.290) 2.347 13.281 ( 0.515 0.000 2.290) 2.347 15.070 ( -4.100 0.000 -13.997) 14.586 15.070 ( 4.100 0.000 13.997) 14.586 16.372 ( -1.215 0.000 -0.116) 1.221 16.372 ( 1.215 0.000 0.116) 1.221 16.450 ( 1.419 0.000 -3.762) 4.021 16.450 ( -1.419 0.000 3.762) 4.021 16.511 ( 1.211 0.000 -7.650) 7.746 16.511 ( -1.211 0.000 7.650) 7.746 17.221 ( 1.051 0.000 -6.971) 7.050 17.221 ( -1.051 0.000 6.971) 7.050 18.602 ( -1.540 0.000 -16.400) 16.472 18.602 ( 1.540 0.000 16.400) 16.472 21.408 ( -0.850 0.000 0.196) 0.873 21.408 ( 0.850 0.000 -0.196) 0.873 21.585 ( 1.205 0.000 -2.708) 2.964 21.585 ( -1.205 0.000 2.708) 2.964 21.729 ( -1.446 0.000 -4.828) 5.040 21.729 ( 1.446 0.000 4.828) 5.040 22.374 ( 1.232 0.000 -1.611) 2.028 22.374 ( -1.232 0.000 1.611) 2.028 22.578 ( 1.598 0.000 -1.265) 2.038 22.578 ( -1.598 0.000 1.265) 2.038 22.879 ( -0.475 0.000 -5.660) 5.680 22.879 ( 0.475 0.000 5.660) 5.680 ======================= Grid point 191 (94/112) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -2.428 0.000 -2.292) 3.339 0.905 ( 3.915 0.000 5.910) 7.089 1.540 ( -0.198 0.000 -17.965) 17.966 1.760 ( -10.333 0.000 0.012) 10.333 1.947 ( -1.058 0.000 16.700) 16.733 2.222 ( 5.610 0.000 12.508) 13.709 2.262 ( -1.977 0.000 0.082) 1.979 2.465 ( -17.710 0.000 2.505) 17.886 2.527 ( 0.581 0.000 -2.417) 2.486 2.559 ( 11.310 0.000 -5.076) 12.397 2.819 ( 4.494 0.000 -10.331) 11.266 2.950 ( -0.718 0.000 -8.146) 8.177 3.074 ( -6.088 0.000 0.842) 6.146 3.085 ( -8.029 0.000 1.953) 8.263 3.188 ( 0.611 0.000 -2.372) 2.449 3.202 ( -5.695 0.000 -3.698) 6.790 3.292 ( -9.720 0.000 4.911) 10.890 3.359 ( -1.301 0.000 -3.699) 3.922 3.400 ( 2.875 0.000 -0.453) 2.910 3.443 ( -4.746 0.000 7.048) 8.497 3.606 ( -0.175 0.000 6.940) 6.942 3.639 ( -2.320 0.000 5.891) 6.332 3.745 ( -3.279 0.000 -5.153) 6.108 3.844 ( -3.622 0.000 -8.839) 9.552 3.978 ( -0.229 0.000 3.814) 3.821 4.041 ( 7.986 0.000 5.621) 9.766 4.204 ( 1.948 0.000 8.339) 8.564 4.281 ( 5.787 0.000 5.260) 7.820 4.520 ( -0.290 0.000 -5.138) 5.146 4.543 ( 3.157 0.000 -2.863) 4.262 4.625 ( 6.808 0.000 -2.585) 7.282 4.730 ( -0.265 0.000 -1.743) 1.763 4.754 ( -1.208 0.000 2.020) 2.353 4.834 ( 10.861 0.000 4.526) 11.766 4.919 ( 3.281 0.000 -1.121) 3.467 5.000 ( 8.473 0.000 -0.911) 8.522 5.078 ( -2.084 0.000 3.682) 4.231 5.218 ( 19.804 0.000 5.475) 20.547 5.475 ( -3.094 0.000 -2.006) 3.687 5.550 ( 3.091 0.000 -2.788) 4.162 5.607 ( 0.225 0.000 -10.035) 10.038 5.749 ( 0.856 0.000 -6.855) 6.909 5.966 ( -4.158 0.000 2.505) 4.854 5.970 ( -5.841 0.000 7.211) 9.279 6.068 ( -1.514 0.000 -8.713) 8.844 6.223 ( 0.726 0.000 4.301) 4.362 6.341 ( -1.115 0.000 5.325) 5.441 6.375 ( 4.753 0.000 6.582) 8.119 6.780 ( -6.024 0.000 -0.014) 6.024 6.866 ( 4.782 0.000 -4.722) 6.720 6.919 ( -6.040 0.000 -2.953) 6.723 7.092 ( -5.638 0.000 -1.617) 5.865 7.309 ( 0.231 0.000 -6.465) 6.469 7.347 ( -11.948 0.000 6.544) 13.622 7.464 ( 2.571 0.000 1.079) 2.789 7.482 ( -0.692 0.000 -0.694) 0.980 7.504 ( 4.762 0.000 -1.278) 4.931 7.663 ( 3.745 0.000 -1.875) 4.188 7.724 ( 1.752 0.000 1.315) 2.191 7.821 ( -3.005 0.000 -8.845) 9.342 7.948 ( 9.413 0.000 -1.912) 9.605 8.061 ( 4.779 0.000 -15.831) 16.537 8.156 ( 1.244 0.000 -13.416) 13.473 8.189 ( -3.069 0.000 -7.326) 7.943 8.218 ( 0.389 0.000 -4.467) 4.484 8.390 ( 2.619 0.000 5.196) 5.819 8.398 ( 5.626 0.000 7.412) 9.305 8.705 ( 10.926 0.000 0.402) 10.933 8.795 ( 0.540 0.000 1.112) 1.236 8.920 ( 0.274 0.000 0.960) 0.998 9.059 ( -3.488 0.000 5.171) 6.238 9.155 ( 6.470 0.000 11.672) 13.346 9.513 ( -4.550 0.000 -7.717) 8.959 9.667 ( -4.392 0.000 -1.528) 4.650 9.847 ( -2.161 0.000 1.423) 2.587 9.854 ( -1.039 0.000 4.709) 4.823 9.932 ( -0.629 0.000 1.211) 1.365 9.992 ( -3.808 0.000 7.000) 7.968 10.205 ( -11.346 0.000 4.420) 12.177 10.260 ( 0.550 0.000 -7.501) 7.521 10.497 ( 6.977 0.000 -9.022) 11.405 10.711 ( -1.256 0.000 3.199) 3.437 10.970 ( -7.606 0.000 5.212) 9.220 11.005 ( 2.007 0.000 0.273) 2.025 11.095 ( 3.414 0.000 2.836) 4.439 11.278 ( 9.082 0.000 0.221) 9.085 11.641 ( -1.679 0.000 0.790) 1.856 11.642 ( -2.953 0.000 0.221) 2.961 12.210 ( -10.552 0.000 6.890) 12.603 12.259 ( 8.688 0.000 -7.828) 11.694 12.617 ( -13.250 0.000 5.707) 14.427 12.874 ( 4.244 0.000 -4.504) 6.189 13.021 ( 9.026 0.000 0.182) 9.028 13.109 ( -0.648 0.000 4.787) 4.831 13.268 ( -0.318 0.000 1.781) 1.809 13.337 ( 1.393 0.000 3.923) 4.163 14.843 ( -4.466 0.000 -10.038) 10.987 15.311 ( 0.604 0.000 16.054) 16.066 16.283 ( -7.939 0.000 -2.760) 8.405 16.324 ( -1.024 0.000 -4.900) 5.006 16.387 ( -2.850 0.000 -3.228) 4.306 16.451 ( -0.552 0.000 -0.098) 0.561 16.469 ( 0.150 0.000 -1.955) 1.961 16.634 ( -4.258 0.000 13.642) 14.291 17.179 ( 9.604 0.000 -10.662) 14.350 17.344 ( 8.161 0.000 3.861) 9.029 18.334 ( -6.081 0.000 -15.037) 16.219 18.810 ( -3.708 0.000 16.098) 16.520 21.413 ( 1.123 0.000 0.374) 1.183 21.426 ( 1.864 0.000 -0.009) 1.864 21.567 ( 1.751 0.000 -2.812) 3.313 21.582 ( -1.675 0.000 -1.522) 2.263 21.671 ( -0.206 0.000 -0.427) 0.474 21.807 ( 1.506 0.000 3.246) 3.578 22.302 ( -6.740 0.000 -1.782) 6.972 22.324 ( -7.289 0.000 1.639) 7.471 22.584 ( 0.679 0.000 0.015) 0.679 22.588 ( 2.561 0.000 -2.035) 3.271 22.836 ( 4.722 0.000 -5.954) 7.599 23.002 ( 5.414 0.000 5.484) 7.706 ======================= Grid point 192 (95/112) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 16.900 0.000 0.510) 16.907 1.119 ( 2.881 0.000 18.949) 19.167 1.335 ( 2.569 0.000 -13.131) 13.380 1.554 ( -10.768 0.000 -6.530) 12.593 2.039 ( -2.427 0.000 -8.149) 8.503 2.226 ( -8.965 0.000 11.695) 14.736 2.418 ( 5.248 0.000 15.365) 16.236 2.473 ( -4.999 0.000 10.790) 11.892 2.505 ( -4.332 0.000 3.655) 5.668 2.640 ( 18.368 0.000 -9.728) 20.785 2.810 ( -1.933 0.000 -9.180) 9.381 2.845 ( -5.298 0.000 8.660) 10.152 2.912 ( -9.872 0.000 -4.547) 10.869 2.991 ( -6.677 0.000 1.081) 6.764 3.057 ( -8.872 0.000 1.061) 8.935 3.216 ( -2.858 0.000 3.028) 4.164 3.223 ( -3.638 0.000 1.940) 4.123 3.251 ( -0.252 0.000 -1.895) 1.912 3.458 ( -2.867 0.000 4.415) 5.264 3.533 ( -0.493 0.000 9.755) 9.767 3.633 ( -5.515 0.000 3.665) 6.622 3.658 ( -3.466 0.000 2.677) 4.379 3.716 ( -0.015 0.000 -5.482) 5.482 3.730 ( 2.227 0.000 3.433) 4.092 4.017 ( 0.498 0.000 1.863) 1.929 4.199 ( 6.182 0.000 -2.433) 6.644 4.296 ( 0.456 0.000 -0.625) 0.774 4.323 ( 0.384 0.000 -1.721) 1.763 4.461 ( 3.550 0.000 -4.490) 5.724 4.599 ( 5.858 0.000 0.633) 5.892 4.682 ( 1.612 0.000 -5.084) 5.333 4.723 ( 5.615 0.000 -1.746) 5.880 4.759 ( -2.511 0.000 1.734) 3.052 4.948 ( 2.171 0.000 -2.178) 3.075 5.099 ( 8.597 0.000 -1.339) 8.701 5.111 ( 15.265 0.000 5.608) 16.263 5.154 ( 12.554 0.000 0.305) 12.558 5.362 ( -5.845 0.000 -6.413) 8.677 5.390 ( 10.234 0.000 -9.207) 13.766 5.515 ( 4.300 0.000 -6.562) 7.846 5.592 ( -4.037 0.000 -3.873) 5.594 5.667 ( 9.050 0.000 -7.730) 11.902 5.942 ( -6.531 0.000 -0.515) 6.552 5.982 ( -2.184 0.000 6.738) 7.083 6.003 ( 0.181 0.000 7.032) 7.035 6.282 ( -2.488 0.000 5.886) 6.390 6.383 ( -0.455 0.000 3.016) 3.050 6.449 ( -7.471 0.000 4.404) 8.672 6.772 ( 0.065 0.000 3.050) 3.051 6.822 ( -0.618 0.000 -7.861) 7.885 6.855 ( 4.093 0.000 1.071) 4.231 6.905 ( -11.908 0.000 -3.838) 12.512 7.182 ( -6.941 0.000 -4.954) 8.528 7.213 ( -14.288 0.000 1.249) 14.342 7.450 ( -2.184 0.000 -1.753) 2.801 7.500 ( 0.458 0.000 -0.696) 0.833 7.532 ( 0.182 0.000 -6.135) 6.137 7.653 ( 5.584 0.000 -9.698) 11.191 7.681 ( -1.864 0.000 -2.059) 2.778 7.808 ( 7.948 0.000 -6.584) 10.321 7.833 ( 8.781 0.000 -15.108) 17.475 7.965 ( -0.705 0.000 -12.480) 12.500 8.030 ( 2.654 0.000 -8.499) 8.903 8.182 ( 1.354 0.000 -1.691) 2.166 8.220 ( 13.744 0.000 3.418) 14.163 8.511 ( 1.954 0.000 4.595) 4.993 8.619 ( 7.196 0.000 8.083) 10.822 8.709 ( 4.720 0.000 -8.597) 9.807 8.853 ( 5.028 0.000 0.320) 5.038 9.067 ( -3.737 0.000 4.571) 5.904 9.074 ( 7.835 0.000 10.135) 12.810 9.384 ( -4.734 0.000 -1.653) 5.015 9.409 ( 6.742 0.000 9.289) 11.477 9.592 ( -2.522 0.000 -1.456) 2.912 9.808 ( -5.909 0.000 2.579) 6.447 9.837 ( -1.818 0.000 -3.242) 3.717 9.930 ( -5.308 0.000 2.436) 5.840 10.051 ( -8.042 0.000 12.845) 15.155 10.134 ( -4.754 0.000 3.420) 5.857 10.177 ( 3.286 0.000 -6.012) 6.852 10.518 ( 11.896 0.000 -8.267) 14.486 10.676 ( -4.679 0.000 0.466) 4.702 10.927 ( -9.510 0.000 5.871) 11.177 11.025 ( 0.968 0.000 -0.633) 1.157 11.236 ( 5.645 0.000 4.389) 7.151 11.366 ( 5.163 0.000 -2.582) 5.773 11.579 ( -6.273 0.000 0.504) 6.294 11.642 ( -0.842 0.000 2.059) 2.225 12.153 ( -10.193 0.000 6.680) 12.187 12.268 ( 7.815 0.000 -7.878) 11.097 12.556 ( -10.847 0.000 9.222) 14.237 12.855 ( 3.735 0.000 -3.966) 5.448 13.123 ( -1.368 0.000 0.191) 1.381 13.142 ( 1.333 0.000 3.474) 3.721 13.318 ( -0.691 0.000 5.472) 5.516 13.402 ( -0.086 0.000 2.168) 2.169 14.707 ( 0.096 0.000 -3.994) 3.995 15.488 ( -6.639 0.000 14.586) 16.026 16.141 ( -4.205 0.000 -3.194) 5.281 16.268 ( 1.237 0.000 -4.002) 4.188 16.281 ( -4.008 0.000 -3.102) 5.068 16.440 ( -0.351 0.000 -0.547) 0.650 16.457 ( 0.980 0.000 -1.152) 1.512 16.724 ( -9.616 0.000 12.661) 15.899 17.180 ( 12.511 0.000 -11.920) 17.280 17.514 ( 9.331 0.000 -0.503) 9.344 18.085 ( -2.476 0.000 -7.984) 8.360 18.923 ( -8.936 0.000 12.853) 15.655 21.441 ( 2.312 0.000 -1.018) 2.526 21.454 ( 1.863 0.000 0.003) 1.863 21.538 ( 0.733 0.000 -1.380) 1.563 21.555 ( 2.015 0.000 -2.878) 3.513 21.680 ( -1.779 0.000 1.995) 2.673 21.852 ( 0.830 0.000 0.925) 1.242 22.204 ( -4.240 0.000 0.712) 4.300 22.272 ( -4.837 0.000 4.413) 6.547 22.589 ( 1.724 0.000 -2.020) 2.656 22.589 ( 0.581 0.000 -0.545) 0.796 22.820 ( 5.309 0.000 -7.257) 8.991 23.121 ( 2.076 0.000 2.242) 3.055 ======================= Grid point 193 (96/112) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 15.508 0.000 -0.788) 15.528 1.180 ( -8.798 0.000 -3.448) 9.449 1.436 ( 24.194 0.000 -12.832) 27.386 1.500 ( -4.582 0.000 27.828) 28.202 1.932 ( 1.794 0.000 -0.439) 1.847 2.278 ( -8.074 0.000 9.924) 12.794 2.423 ( -14.405 0.000 1.693) 14.504 2.503 ( -6.410 0.000 7.362) 9.761 2.574 ( 1.601 0.000 -3.765) 4.091 2.683 ( 12.491 0.000 -13.833) 18.638 2.777 ( -6.694 0.000 -0.613) 6.722 2.834 ( 5.489 0.000 10.798) 12.113 2.912 ( -0.416 0.000 9.239) 9.248 2.942 ( -4.722 0.000 3.806) 6.065 3.035 ( -3.604 0.000 6.412) 7.355 3.209 ( -6.613 0.000 8.009) 10.386 3.253 ( 2.363 0.000 3.076) 3.879 3.322 ( 7.773 0.000 -0.898) 7.825 3.416 ( -5.801 0.000 0.183) 5.804 3.563 ( -3.981 0.000 -0.433) 4.005 3.605 ( -5.433 0.000 2.739) 6.085 3.674 ( -3.476 0.000 2.544) 4.307 3.754 ( 5.482 0.000 9.981) 11.388 3.822 ( 1.538 0.000 4.926) 5.161 4.021 ( -0.088 0.000 -3.766) 3.767 4.134 ( 0.511 0.000 -10.109) 10.122 4.197 ( -2.408 0.000 -5.950) 6.419 4.267 ( -1.497 0.000 -6.563) 6.731 4.549 ( 7.437 0.000 3.054) 8.039 4.566 ( -4.375 0.000 -6.116) 7.520 4.683 ( -1.632 0.000 -8.223) 8.383 4.691 ( 3.619 0.000 -3.222) 4.846 4.750 ( 0.344 0.000 0.933) 0.994 4.877 ( -6.991 0.000 -0.107) 6.992 5.096 ( -3.143 0.000 -10.119) 10.596 5.271 ( 12.179 0.000 -1.845) 12.318 5.285 ( 7.404 0.000 -0.783) 7.445 5.340 ( -3.244 0.000 -11.915) 12.349 5.457 ( 13.712 0.000 8.608) 16.190 5.533 ( 10.037 0.000 -0.627) 10.056 5.547 ( 8.536 0.000 -4.648) 9.719 5.623 ( 3.178 0.000 -8.058) 8.662 5.844 ( -4.885 0.000 0.023) 4.885 6.060 ( 0.790 0.000 5.456) 5.512 6.154 ( -0.213 0.000 8.518) 8.521 6.254 ( -5.746 0.000 -3.745) 6.858 6.392 ( -3.617 0.000 0.658) 3.676 6.461 ( -1.624 0.000 8.986) 9.132 6.637 ( -4.279 0.000 -7.190) 8.367 6.743 ( -5.233 0.000 -4.208) 6.715 6.782 ( 1.477 0.000 -1.878) 2.390 6.986 ( -0.172 0.000 1.415) 1.425 7.033 ( -6.241 0.000 -1.402) 6.397 7.109 ( -2.247 0.000 7.709) 8.030 7.342 ( -6.870 0.000 -7.614) 10.255 7.388 ( -4.610 0.000 -0.431) 4.631 7.434 ( -2.870 0.000 -5.642) 6.330 7.550 ( 0.233 0.000 -9.552) 9.555 7.693 ( -0.274 0.000 -15.559) 15.562 7.704 ( 3.283 0.000 1.471) 3.598 7.777 ( 9.065 0.000 -11.903) 14.961 7.935 ( 8.763 0.000 -6.403) 10.853 7.984 ( 3.056 0.000 -0.948) 3.200 8.236 ( 2.039 0.000 3.587) 4.126 8.468 ( -5.956 0.000 -2.365) 6.408 8.510 ( 15.541 0.000 5.090) 16.353 8.731 ( -1.184 0.000 2.339) 2.622 8.733 ( 4.173 0.000 0.319) 4.185 8.947 ( 11.255 0.000 -0.890) 11.290 9.152 ( 5.841 0.000 7.096) 9.191 9.315 ( 7.748 0.000 8.103) 11.211 9.328 ( -3.243 0.000 0.993) 3.391 9.467 ( -3.265 0.000 -1.788) 3.723 9.583 ( -1.423 0.000 -0.260) 1.446 9.755 ( 0.939 0.000 -7.332) 7.391 9.767 ( -2.935 0.000 -0.430) 2.966 9.875 ( -9.178 0.000 6.555) 11.278 10.109 ( -7.365 0.000 11.934) 14.024 10.164 ( -7.958 0.000 8.267) 11.476 10.181 ( 7.202 0.000 -5.591) 9.118 10.586 ( 12.601 0.000 -6.685) 14.265 10.671 ( 1.577 0.000 4.696) 4.953 10.860 ( -11.493 0.000 5.842) 12.892 11.016 ( 0.029 0.000 -1.366) 1.367 11.280 ( -2.617 0.000 -1.754) 3.151 11.337 ( -0.487 0.000 -6.030) 6.050 11.543 ( -1.065 0.000 3.265) 3.434 11.660 ( -0.917 0.000 1.583) 1.829 12.137 ( -7.197 0.000 8.867) 11.420 12.257 ( 7.015 0.000 -8.617) 11.111 12.561 ( -8.653 0.000 11.077) 14.056 12.854 ( 2.586 0.000 -5.097) 5.716 13.100 ( -1.366 0.000 -0.290) 1.396 13.133 ( -2.640 0.000 -2.115) 3.382 13.369 ( -1.978 0.000 4.195) 4.638 13.372 ( -1.722 0.000 -1.876) 2.547 14.769 ( 8.401 0.000 3.911) 9.267 15.483 ( -15.276 0.000 6.282) 16.517 16.120 ( 1.756 0.000 1.836) 2.540 16.206 ( 0.682 0.000 -2.120) 2.227 16.288 ( 4.084 0.000 -0.468) 4.111 16.425 ( -0.791 0.000 -0.510) 0.941 16.463 ( 1.863 0.000 -0.745) 2.007 16.702 ( -13.072 0.000 7.396) 15.019 17.196 ( 11.233 0.000 -9.613) 14.785 17.473 ( -1.891 0.000 -9.564) 9.749 18.181 ( 12.823 0.000 7.667) 14.940 18.905 ( -13.264 0.000 6.875) 14.940 21.431 ( 0.801 0.000 -2.143) 2.288 21.466 ( 0.596 0.000 -0.950) 1.121 21.548 ( 2.254 0.000 -2.066) 3.058 21.591 ( 4.646 0.000 1.792) 4.980 21.662 ( -3.200 0.000 1.000) 3.353 21.851 ( -0.986 0.000 -1.037) 1.432 22.240 ( 1.020 0.000 7.256) 7.327 22.328 ( -0.850 0.000 9.104) 9.144 22.583 ( 1.394 0.000 -1.921) 2.374 22.587 ( 0.151 0.000 -0.422) 0.448 22.778 ( 4.523 0.000 -8.581) 9.700 23.081 ( -4.467 0.000 -5.594) 7.158 ======================= Grid point 194 (97/112) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( -3.789 0.000 0.428) 3.813 1.075 ( 2.979 0.000 -6.027) 6.723 1.670 ( 26.102 0.000 -3.557) 26.343 1.852 ( 2.315 0.000 21.802) 21.924 1.950 ( -15.707 0.000 5.160) 16.533 2.128 ( -8.738 0.000 -10.493) 13.655 2.414 ( -0.901 0.000 13.332) 13.362 2.504 ( 5.107 0.000 -6.217) 8.046 2.590 ( -0.631 0.000 5.349) 5.386 2.674 ( -3.639 0.000 -3.493) 5.044 2.744 ( 16.687 0.000 -6.570) 17.934 2.914 ( -10.915 0.000 3.471) 11.453 2.977 ( 1.257 0.000 2.787) 3.058 2.989 ( -0.750 0.000 2.485) 2.596 3.081 ( -1.466 0.000 5.074) 5.282 3.169 ( -7.125 0.000 -0.375) 7.135 3.333 ( 2.535 0.000 1.460) 2.925 3.342 ( 2.597 0.000 -2.286) 3.460 3.460 ( 5.467 0.000 2.024) 5.829 3.511 ( -3.551 0.000 1.057) 3.705 3.573 ( -3.570 0.000 3.433) 4.953 3.627 ( -2.497 0.000 -3.042) 3.935 3.868 ( -1.572 0.000 1.740) 2.345 3.898 ( -0.385 0.000 -7.254) 7.264 4.036 ( 6.484 0.000 15.603) 16.897 4.073 ( 2.011 0.000 -2.353) 3.095 4.107 ( -4.473 0.000 -0.453) 4.495 4.182 ( 2.082 0.000 -5.016) 5.431 4.402 ( -7.433 0.000 -1.701) 7.625 4.483 ( -3.900 0.000 -13.252) 13.814 4.681 ( 4.990 0.000 2.685) 5.667 4.696 ( 5.749 0.000 -3.843) 6.915 4.755 ( 1.085 0.000 -3.089) 3.274 4.767 ( -10.584 0.000 3.004) 11.002 5.011 ( -0.604 0.000 2.210) 2.291 5.121 ( -2.782 0.000 -11.048) 11.392 5.368 ( -2.010 0.000 6.420) 6.727 5.376 ( 10.168 0.000 -6.581) 12.112 5.543 ( -4.541 0.000 3.435) 5.694 5.561 ( 3.173 0.000 -5.023) 5.941 5.705 ( 5.978 0.000 5.698) 8.258 5.722 ( 13.211 0.000 -3.676) 13.713 5.855 ( 3.969 0.000 2.544) 4.714 6.044 ( -10.381 0.000 -7.962) 13.083 6.148 ( 4.069 0.000 1.956) 4.514 6.196 ( -4.916 0.000 4.252) 6.500 6.368 ( 0.880 0.000 -1.513) 1.750 6.404 ( -3.712 0.000 -3.404) 5.037 6.672 ( -1.037 0.000 0.678) 1.240 6.718 ( -0.676 0.000 -5.729) 5.769 6.739 ( 5.314 0.000 13.079) 14.117 6.993 ( -4.600 0.000 -5.318) 7.031 6.998 ( -2.352 0.000 4.099) 4.726 7.033 ( -0.682 0.000 -6.627) 6.662 7.279 ( -6.213 0.000 5.310) 8.173 7.319 ( 1.609 0.000 -8.614) 8.763 7.381 ( -4.050 0.000 7.862) 8.844 7.440 ( -1.194 0.000 -4.941) 5.084 7.576 ( 4.739 0.000 -1.609) 5.004 7.686 ( 1.395 0.000 -8.973) 9.080 7.822 ( 5.091 0.000 1.955) 5.454 7.904 ( 0.094 0.000 -4.621) 4.622 8.076 ( 9.163 0.000 -1.093) 9.228 8.201 ( -9.680 0.000 -0.019) 9.681 8.466 ( 5.531 0.000 2.472) 6.058 8.583 ( -6.747 0.000 -0.131) 6.748 8.782 ( 5.112 0.000 -1.280) 5.270 8.784 ( 0.839 0.000 1.664) 1.864 9.171 ( 12.443 0.000 7.400) 14.477 9.330 ( 2.286 0.000 1.162) 2.565 9.363 ( -2.922 0.000 -5.998) 6.672 9.386 ( 12.971 0.000 6.951) 14.716 9.427 ( -6.125 0.000 0.265) 6.131 9.567 ( 2.400 0.000 4.327) 4.948 9.633 ( -2.719 0.000 -10.679) 11.020 9.688 ( -3.656 0.000 -4.424) 5.739 9.901 ( -1.318 0.000 7.956) 8.065 10.046 ( -12.746 0.000 -0.447) 12.754 10.173 ( -8.058 0.000 11.446) 13.998 10.196 ( 7.765 0.000 -7.878) 11.062 10.673 ( 12.565 0.000 -6.286) 14.050 10.749 ( -10.372 0.000 6.781) 12.392 10.867 ( 4.703 0.000 7.119) 8.533 10.987 ( -1.907 0.000 -2.082) 2.823 11.199 ( -4.062 0.000 -0.167) 4.065 11.224 ( -1.281 0.000 -6.528) 6.653 11.598 ( 2.561 0.000 1.840) 3.154 11.647 ( -2.528 0.000 0.019) 2.528 12.181 ( -5.855 0.000 9.844) 11.453 12.228 ( 6.454 0.000 -9.385) 11.390 12.623 ( -5.345 0.000 12.576) 13.665 12.751 ( 1.313 0.000 -12.094) 12.165 13.086 ( -1.029 0.000 0.744) 1.270 13.090 ( 1.182 0.000 -2.221) 2.516 13.355 ( 1.234 0.000 -0.376) 1.290 13.374 ( -2.742 0.000 1.692) 3.222 14.998 ( 13.851 0.000 5.918) 15.063 15.274 ( -16.989 0.000 -2.436) 17.163 16.185 ( 1.122 0.000 3.018) 3.220 16.210 ( 1.010 0.000 -0.759) 1.263 16.354 ( 5.108 0.000 -0.012) 5.108 16.403 ( -2.156 0.000 -0.037) 2.156 16.496 ( 5.072 0.000 -0.682) 5.118 16.593 ( -11.259 0.000 2.401) 11.512 17.235 ( 8.047 0.000 -3.714) 8.863 17.324 ( -4.823 0.000 -4.135) 6.353 18.489 ( 15.590 0.000 6.505) 16.893 18.751 ( -15.480 0.000 -0.179) 15.481 21.426 ( 0.901 0.000 -0.149) 0.914 21.447 ( -0.612 0.000 -1.351) 1.484 21.565 ( 2.953 0.000 -0.696) 3.034 21.605 ( -3.319 0.000 0.201) 3.326 21.708 ( 5.027 0.000 2.405) 5.573 21.799 ( -3.460 0.000 -1.980) 3.986 22.379 ( 1.944 0.000 8.116) 8.346 22.439 ( -0.731 0.000 4.744) 4.800 22.578 ( 0.652 0.000 -0.616) 0.897 22.583 ( 0.001 0.000 -0.349) 0.349 22.748 ( 5.867 0.000 -3.226) 6.695 22.891 ( -6.959 0.000 -8.461) 10.955 ======================= Grid point 199 (98/112) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -6.360 18.687 0.411) 19.744 1.007 ( 6.360 18.687 -0.411) 19.744 1.819 ( 4.581 5.469 -9.674) 12.020 1.819 ( -4.581 5.469 9.674) 12.020 1.949 ( -8.607 0.735 -6.150) 10.604 1.949 ( 8.607 0.735 6.150) 10.604 2.390 ( -7.884 -0.846 -8.027) 11.283 2.390 ( 7.884 -0.846 8.027) 11.283 2.509 ( 1.642 -4.210 -5.347) 7.001 2.509 ( -1.642 -4.210 5.347) 7.001 2.916 ( -4.187 -7.130 -0.777) 8.305 2.916 ( 4.187 -7.130 0.777) 8.305 3.033 ( 0.216 -4.004 -5.587) 6.877 3.033 ( -0.216 -4.004 5.587) 6.877 3.178 ( -0.970 -2.618 -1.259) 3.062 3.178 ( 0.970 -2.618 1.259) 3.062 3.365 ( 2.000 -2.528 -4.289) 5.366 3.365 ( -2.000 -2.528 4.289) 5.366 3.485 ( 1.335 -0.967 -3.903) 4.237 3.485 ( -1.335 -0.967 3.903) 4.237 3.620 ( -1.420 7.602 -2.101) 8.014 3.620 ( 1.420 7.602 2.101) 8.014 3.881 ( 1.272 4.414 -4.227) 6.242 3.881 ( -1.272 4.414 4.227) 6.242 4.058 ( -9.264 2.129 -7.333) 12.005 4.058 ( 9.264 2.129 7.333) 12.005 4.124 ( 2.149 4.337 -6.697) 8.264 4.124 ( -2.149 4.337 6.697) 8.264 4.538 ( -3.450 -2.095 -3.587) 5.400 4.538 ( 3.450 -2.095 3.587) 5.400 4.707 ( -2.135 3.159 -4.280) 5.732 4.707 ( 2.135 3.159 4.280) 5.732 4.841 ( -1.717 7.533 -3.366) 8.428 4.841 ( 1.717 7.533 3.366) 8.428 4.916 ( -0.596 1.675 -2.436) 3.016 4.916 ( 0.596 1.675 2.436) 3.016 5.106 ( 0.501 7.418 -7.421) 10.504 5.106 ( -0.501 7.418 7.421) 10.504 5.497 ( 0.475 -2.909 -1.116) 3.152 5.497 ( -0.475 -2.909 1.116) 3.152 5.779 ( 0.633 1.549 -10.114) 10.252 5.779 ( -0.633 1.549 10.114) 10.252 5.994 ( -1.189 1.930 -4.190) 4.764 5.994 ( 1.189 1.930 4.190) 4.764 6.175 ( 1.159 0.522 -7.365) 7.474 6.175 ( -1.159 0.522 7.365) 7.474 6.303 ( 1.194 1.399 -0.530) 1.914 6.303 ( -1.194 1.399 0.530) 1.914 6.762 ( 3.657 -6.807 -3.591) 8.521 6.762 ( -3.657 -6.807 3.591) 8.521 7.032 ( -0.339 -5.561 -3.534) 6.598 7.032 ( 0.339 -5.561 3.534) 6.598 7.312 ( -3.674 -6.471 -0.201) 7.444 7.312 ( 3.674 -6.471 0.201) 7.444 7.437 ( -0.256 5.494 -9.954) 11.373 7.437 ( 0.256 5.494 9.954) 11.373 7.624 ( -1.590 4.277 -7.813) 9.048 7.624 ( 1.590 4.277 7.813) 9.048 7.898 ( -7.600 5.459 -2.226) 9.618 7.898 ( 7.600 5.459 2.226) 9.618 8.099 ( -9.180 8.240 -5.197) 13.385 8.099 ( 9.180 8.240 5.197) 13.385 8.206 ( -2.130 -2.393 -5.141) 6.058 8.206 ( 2.130 -2.393 5.141) 6.058 8.358 ( -0.200 3.370 -1.911) 3.879 8.358 ( 0.200 3.370 1.911) 3.879 8.501 ( -2.774 2.927 -16.365) 16.854 8.501 ( 2.774 2.927 16.365) 16.854 8.832 ( 0.416 -2.094 -8.543) 8.805 8.832 ( -0.416 -2.094 8.543) 8.805 9.053 ( 0.768 1.633 -2.182) 2.831 9.053 ( -0.768 1.633 2.182) 2.831 9.623 ( -1.365 -5.684 -8.001) 9.909 9.623 ( 1.365 -5.684 8.001) 9.909 9.729 ( -5.056 -5.949 -2.696) 8.260 9.729 ( 5.056 -5.949 2.696) 8.260 9.973 ( 1.055 0.394 -5.142) 5.264 9.973 ( -1.055 0.394 5.142) 5.264 10.249 ( 8.748 -3.320 -6.151) 11.197 10.249 ( -8.748 -3.320 6.151) 11.197 10.562 ( -7.326 -1.814 -7.559) 10.682 10.562 ( 7.326 -1.814 7.559) 10.682 11.002 ( 2.375 -2.184 -4.008) 5.145 11.002 ( -2.375 -2.184 4.008) 5.145 11.132 ( -5.306 2.617 -1.781) 6.178 11.132 ( 5.306 2.617 1.781) 6.178 11.666 ( 2.304 0.415 -2.031) 3.099 11.666 ( -2.304 0.415 2.031) 3.099 12.264 ( 8.182 2.208 -8.778) 12.201 12.264 ( -8.182 2.208 8.778) 12.201 12.764 ( -12.055 -0.213 1.371) 12.134 12.764 ( 12.055 -0.213 -1.371) 12.134 12.980 ( 0.316 -3.459 -6.866) 7.694 12.980 ( -0.316 -3.459 6.866) 7.694 13.255 ( -1.094 -2.615 -3.500) 4.504 13.255 ( 1.094 -2.615 3.500) 4.504 15.105 ( -4.094 3.345 -13.436) 14.439 15.105 ( 4.094 3.345 13.436) 14.439 16.021 ( -0.350 -18.782 -2.651) 18.971 16.021 ( 0.350 -18.782 2.651) 18.971 16.423 ( -1.857 -0.018 -0.520) 1.929 16.423 ( 1.857 -0.018 0.520) 1.929 16.896 ( 1.334 19.549 -9.693) 21.861 16.896 ( -1.334 19.549 9.693) 21.861 17.254 ( 0.731 3.060 -5.560) 6.388 17.254 ( -0.731 3.060 5.560) 6.388 18.480 ( -1.339 -11.179 -16.538) 20.006 18.480 ( 1.339 -11.179 16.538) 20.006 21.423 ( -0.048 1.324 -0.041) 1.325 21.423 ( 0.048 1.324 0.041) 1.325 21.595 ( 1.114 0.900 -2.384) 2.781 21.595 ( -1.114 0.900 2.384) 2.781 21.742 ( -1.136 1.264 -4.102) 4.440 21.742 ( 1.136 1.264 4.102) 4.440 22.367 ( 2.394 -2.088 -1.112) 3.365 22.367 ( -2.394 -2.088 1.112) 3.365 22.426 ( -2.640 -8.013 -0.764) 8.471 22.426 ( 2.640 -8.013 0.764) 8.471 23.038 ( -0.481 9.906 -4.909) 11.066 23.038 ( 0.481 9.906 4.909) 11.066 ======================= Grid point 201 (99/112) ======================= q-point: ( 0.11 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -4.685 20.509 -0.605) 21.046 1.079 ( 0.616 15.295 6.345) 16.570 1.636 ( -6.242 5.718 -12.688) 15.253 1.738 ( -2.741 2.215 -4.163) 5.455 2.031 ( -1.574 4.812 14.353) 15.220 2.127 ( 1.419 -7.358 3.672) 8.345 2.280 ( -1.328 3.492 7.922) 8.759 2.430 ( -8.818 -4.477 2.173) 10.125 2.544 ( 4.170 -1.379 -1.191) 4.551 2.599 ( -2.789 1.498 10.945) 11.393 2.763 ( -0.863 -2.194 -9.793) 10.073 2.917 ( 1.512 -3.387 -5.971) 7.030 2.957 ( -2.799 -6.406 -2.814) 7.536 3.047 ( -6.715 -8.700 1.895) 11.152 3.124 ( -4.510 -0.101 -0.429) 4.532 3.176 ( -1.166 -0.879 -2.330) 2.749 3.313 ( 0.077 1.993 -4.348) 4.784 3.392 ( -3.202 -8.484 5.089) 10.399 3.417 ( -3.705 4.057 -5.058) 7.468 3.461 ( -1.059 -1.602 1.658) 2.537 3.525 ( -8.497 4.246 1.063) 9.559 3.648 ( 0.136 0.929 4.669) 4.762 3.834 ( -1.577 -0.009 -7.809) 7.967 3.952 ( -1.868 -2.554 1.954) 3.719 3.961 ( -5.598 9.949 2.961) 11.794 4.102 ( 7.688 6.847 8.702) 13.480 4.231 ( 4.189 5.330 2.940) 7.389 4.316 ( 9.069 3.692 4.024) 10.586 4.500 ( 5.417 -0.569 -2.930) 6.185 4.613 ( 6.468 2.789 -2.916) 7.624 4.657 ( 2.346 5.683 -2.719) 6.722 4.787 ( 1.904 1.235 2.868) 3.657 4.812 ( -1.146 3.981 0.165) 4.146 4.922 ( 5.931 2.638 -0.639) 6.523 4.936 ( 5.546 10.918 1.910) 12.394 5.021 ( 5.837 0.886 1.908) 6.204 5.107 ( 8.443 1.668 -0.565) 8.625 5.224 ( 5.967 4.422 3.229) 8.099 5.474 ( 1.037 -2.789 -5.205) 5.995 5.487 ( 2.159 -2.059 -0.890) 3.114 5.620 ( 0.178 -0.154 -11.731) 11.733 5.828 ( -1.014 4.827 -3.532) 6.067 5.930 ( -3.663 -1.494 2.676) 4.776 6.026 ( -4.375 3.038 4.366) 6.887 6.071 ( -1.635 0.723 -6.948) 7.174 6.252 ( -0.434 1.480 5.172) 5.397 6.321 ( -1.144 -1.516 2.986) 3.539 6.386 ( 3.733 1.306 6.614) 7.706 6.706 ( -4.577 -6.767 -0.174) 8.172 6.800 ( 4.282 -5.658 -2.126) 7.407 6.956 ( -3.274 -1.912 -2.306) 4.438 7.033 ( -5.546 -6.413 -1.094) 8.549 7.251 ( -5.821 -1.254 -1.167) 6.068 7.292 ( -1.257 -3.978 -2.997) 5.136 7.392 ( 5.163 -3.473 -1.848) 6.491 7.538 ( 2.649 2.780 -4.739) 6.099 7.587 ( 5.789 6.465 4.378) 9.720 7.716 ( -7.969 3.896 -0.009) 8.870 7.763 ( -2.747 5.726 2.365) 6.777 7.902 ( -4.787 8.488 -3.416) 10.326 8.041 ( 10.257 1.455 -5.296) 11.635 8.076 ( 0.089 0.717 -11.437) 11.460 8.160 ( 4.336 5.193 -19.470) 20.612 8.225 ( -2.116 2.442 -1.505) 3.565 8.263 ( 0.839 3.952 -5.868) 7.124 8.404 ( 4.473 2.690 4.395) 6.824 8.420 ( 6.244 1.287 5.504) 8.422 8.715 ( 8.190 0.935 2.005) 8.483 8.762 ( 2.109 -2.179 -3.602) 4.708 8.926 ( -2.132 0.467 6.158) 6.533 9.084 ( -0.992 1.837 4.396) 4.867 9.149 ( 5.874 -0.653 8.887) 10.672 9.481 ( -3.354 -3.072 -6.419) 7.867 9.623 ( -6.649 -5.331 -0.733) 8.554 9.700 ( -1.654 -8.258 3.028) 8.950 9.834 ( 0.477 -5.107 6.184) 8.034 9.921 ( 0.660 -0.507 -4.479) 4.556 10.033 ( -3.248 2.187 8.002) 8.909 10.130 ( -11.473 -3.972 3.531) 12.644 10.319 ( 2.044 3.668 -5.537) 6.949 10.389 ( 2.852 -8.957 -6.287) 11.309 10.723 ( 1.855 0.861 4.034) 4.523 10.935 ( -7.774 -2.429 2.829) 8.621 11.047 ( 3.619 -4.779 0.079) 5.996 11.088 ( -1.005 5.054 1.272) 5.308 11.253 ( 9.024 -0.439 0.553) 9.052 11.646 ( -4.223 0.373 1.123) 4.386 11.657 ( -0.977 0.375 0.087) 1.051 12.253 ( 0.032 2.395 -1.195) 2.677 12.268 ( -0.929 3.112 0.906) 3.372 12.642 ( -10.973 1.808 4.691) 12.070 12.850 ( 2.943 -1.986 -5.517) 6.560 12.968 ( 7.217 -5.908 1.402) 9.432 13.073 ( 0.994 -1.777 5.197) 5.582 13.206 ( -1.117 -4.761 -1.281) 5.055 13.325 ( 0.835 -1.976 4.554) 5.034 14.890 ( -4.009 4.561 -9.329) 11.131 15.342 ( 0.904 2.812 15.719) 15.995 15.980 ( -0.501 -18.512 -2.197) 18.649 16.056 ( 0.063 -16.637 2.080) 16.766 16.338 ( -7.100 0.576 -1.998) 7.398 16.399 ( -3.860 -0.619 -1.755) 4.285 16.799 ( 0.364 17.259 -5.912) 18.247 17.014 ( -4.096 21.263 12.428) 24.967 17.219 ( 8.104 4.032 -8.932) 12.716 17.356 ( 7.619 1.042 2.193) 7.996 18.220 ( -4.110 -10.166 -15.599) 19.067 18.689 ( -3.143 -11.257 15.665) 19.545 21.429 ( 1.147 1.388 0.283) 1.822 21.438 ( 1.729 1.084 -0.082) 2.043 21.579 ( 1.549 1.060 -2.666) 3.261 21.596 ( -1.228 1.193 -0.624) 1.822 21.690 ( -0.112 1.865 -1.183) 2.212 21.808 ( 1.355 0.081 2.639) 2.968 22.305 ( -6.760 0.108 -1.561) 6.939 22.307 ( -6.741 -1.978 1.892) 7.276 22.429 ( 2.659 -9.658 -0.699) 10.041 22.465 ( 1.626 -7.321 -0.254) 7.503 22.993 ( 3.712 10.096 -5.484) 12.074 23.136 ( 4.017 8.365 4.193) 10.183 ======================= Grid point 202 (100/112) ======================= q-point: ( 0.22 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 7.796 16.364 3.085) 18.387 1.242 ( -0.732 10.424 16.645) 19.654 1.432 ( -4.444 7.273 -4.817) 9.790 1.585 ( -0.325 4.700 -12.534) 13.390 2.118 ( -8.787 3.735 3.902) 10.315 2.224 ( -5.561 -1.609 13.568) 14.751 2.342 ( -2.646 -5.354 8.758) 10.600 2.459 ( -3.155 -0.158 11.823) 12.238 2.543 ( -3.251 1.282 5.575) 6.579 2.642 ( 12.115 1.081 -9.698) 15.556 2.754 ( -7.380 -5.324 -4.700) 10.242 2.774 ( -2.698 -5.779 4.658) 7.898 2.892 ( -0.550 -0.436 -6.165) 6.205 2.951 ( -6.674 -3.712 1.483) 7.779 3.061 ( -7.964 1.938 3.583) 8.946 3.138 ( 1.382 -1.211 0.158) 1.844 3.285 ( -3.192 4.656 -1.150) 5.762 3.301 ( -1.419 2.519 1.035) 3.071 3.416 ( -6.206 -5.365 5.385) 9.814 3.471 ( -6.640 -6.640 6.982) 11.702 3.552 ( 4.501 0.178 4.185) 6.148 3.694 ( -0.870 0.218 -0.853) 1.238 3.725 ( 0.880 0.956 -3.310) 3.556 3.884 ( -4.982 -0.701 2.023) 5.423 4.006 ( -1.085 4.817 4.195) 6.480 4.259 ( 3.403 7.248 -1.044) 8.075 4.331 ( 7.279 2.706 -0.869) 7.815 4.368 ( 1.461 6.524 -5.401) 8.595 4.549 ( 7.396 5.742 -1.842) 9.543 4.667 ( 4.887 0.435 -4.167) 6.437 4.680 ( 1.564 6.119 -2.190) 6.685 4.753 ( 2.429 4.718 -2.941) 6.067 4.818 ( -3.475 3.395 1.928) 5.227 5.035 ( 2.103 6.386 -3.110) 7.408 5.097 ( 11.986 1.892 -0.125) 12.135 5.135 ( 15.705 3.157 3.418) 16.380 5.236 ( 7.725 5.703 0.752) 9.631 5.267 ( 9.967 -7.228 -8.606) 15.022 5.374 ( -2.897 -0.793 -8.109) 8.647 5.483 ( 1.529 -0.766 -2.896) 3.363 5.597 ( 7.161 -4.188 -8.738) 12.049 5.715 ( -1.863 7.150 -2.664) 7.855 5.956 ( -1.960 -0.738 1.293) 2.462 5.967 ( -3.887 -1.833 3.803) 5.739 6.043 ( -0.856 3.992 3.855) 5.615 6.300 ( -3.576 0.792 5.308) 6.449 6.345 ( -0.842 -2.826 3.441) 4.531 6.460 ( -5.193 -0.562 4.188) 6.695 6.698 ( 0.313 -4.666 3.636) 5.924 6.787 ( -1.483 -3.138 -6.432) 7.308 6.886 ( -4.031 -2.851 -2.115) 5.371 6.916 ( -3.062 -0.694 1.766) 3.602 7.125 ( -5.716 -0.015 -3.677) 6.797 7.245 ( -7.300 -1.462 0.709) 7.479 7.369 ( 0.774 -2.175 -10.930) 11.172 7.524 ( 1.232 -0.049 -4.551) 4.716 7.576 ( -7.332 5.327 -0.555) 9.080 7.669 ( -1.000 2.758 -0.848) 3.054 7.684 ( 3.013 0.769 -3.916) 5.000 7.869 ( 5.940 3.109 -15.628) 17.006 7.925 ( 2.180 5.734 -8.678) 10.627 8.020 ( 3.727 6.061 -2.135) 7.429 8.058 ( 4.626 4.402 -8.196) 10.390 8.154 ( 0.970 0.427 -7.708) 7.780 8.289 ( 10.040 2.836 1.409) 10.528 8.512 ( 0.917 0.326 2.814) 2.978 8.649 ( 8.531 1.469 7.884) 11.709 8.722 ( 5.491 1.999 -4.455) 7.348 8.827 ( 5.192 -2.051 0.594) 5.614 9.009 ( 0.493 -1.382 5.147) 5.352 9.145 ( 1.652 2.698 5.800) 6.607 9.327 ( 1.816 -3.658 2.335) 4.704 9.411 ( 0.256 -1.870 2.605) 3.217 9.544 ( -2.388 -5.184 -0.140) 5.709 9.681 ( -5.515 -7.413 2.350) 9.533 9.844 ( -2.468 -3.037 -2.714) 4.763 9.897 ( -3.695 -0.917 3.905) 5.454 10.063 ( -6.509 -1.771 7.644) 10.195 10.115 ( -1.222 1.914 6.526) 6.909 10.204 ( -3.687 0.260 -2.994) 4.756 10.451 ( 12.596 -5.206 -6.019) 14.900 10.716 ( -3.685 2.477 -0.373) 4.456 10.879 ( -7.910 -2.175 4.166) 9.200 11.080 ( -2.236 3.541 0.287) 4.198 11.120 ( 3.106 -8.723 1.555) 9.389 11.380 ( 9.035 -0.878 -0.999) 9.132 11.573 ( -7.034 -0.193 -0.001) 7.037 11.656 ( -2.113 1.006 2.810) 3.657 12.224 ( -7.128 5.918 4.683) 10.381 12.272 ( 5.858 1.514 -5.466) 8.154 12.593 ( -9.296 3.113 7.993) 12.649 12.811 ( 3.254 -4.151 -4.648) 7.030 13.062 ( 0.488 -5.482 1.690) 5.757 13.142 ( 0.017 -0.395 3.236) 3.260 13.200 ( 1.450 -8.435 0.748) 8.592 13.379 ( -1.581 -2.930 3.040) 4.509 14.772 ( 0.451 6.200 -3.233) 7.007 15.522 ( -6.132 3.018 14.610) 16.130 15.955 ( 0.241 -18.165 -1.121) 18.201 16.086 ( 0.600 -9.531 2.119) 9.782 16.208 ( -6.474 -2.554 -2.283) 7.324 16.295 ( -3.854 -1.289 -4.120) 5.787 16.753 ( 1.817 16.015 -3.054) 16.405 17.094 ( -8.838 22.005 11.421) 26.320 17.221 ( 10.746 4.540 -10.109) 15.436 17.491 ( 8.375 -2.197 -1.534) 8.793 18.000 ( 0.584 -7.432 -8.983) 11.673 18.802 ( -8.294 -11.290 12.144) 18.540 21.453 ( 2.245 1.124 -1.103) 2.742 21.464 ( 1.929 0.904 -0.107) 2.133 21.559 ( 0.958 1.427 -1.792) 2.483 21.575 ( 1.413 2.172 -1.613) 3.052 21.690 ( -1.216 0.998 1.004) 1.866 21.846 ( 0.984 -0.554 0.611) 1.284 22.208 ( -4.682 0.369 0.598) 4.735 22.266 ( -4.516 -0.518 4.416) 6.337 22.450 ( 1.516 -8.565 -0.353) 8.705 22.469 ( 0.386 -8.276 -0.976) 8.343 22.975 ( 4.855 10.168 -6.325) 12.922 23.222 ( 1.745 6.328 1.169) 6.668 ======================= Grid point 203 (101/112) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 12.164 12.012 2.514) 17.279 1.263 ( -8.037 8.615 -0.069) 11.782 1.524 ( 19.874 7.409 -13.320) 25.046 1.557 ( -3.598 6.103 25.186) 26.164 2.031 ( -7.563 5.159 5.351) 10.605 2.291 ( -6.180 1.833 10.803) 12.580 2.367 ( -10.067 -3.618 2.876) 11.077 2.484 ( -7.672 -4.253 2.911) 9.242 2.588 ( -2.088 -1.947 -2.607) 3.866 2.675 ( 6.931 -0.172 -5.535) 8.872 2.719 ( 6.282 0.088 1.652) 6.497 2.790 ( -3.022 -6.032 5.522) 8.718 2.908 ( 5.069 0.204 8.547) 9.940 2.919 ( -5.458 -2.494 7.144) 9.330 3.026 ( -4.099 1.617 2.662) 5.148 3.203 ( 4.410 -1.945 1.843) 5.160 3.259 ( -4.225 2.953 6.072) 7.965 3.326 ( -6.176 -3.520 1.034) 7.183 3.384 ( 3.189 2.236 0.546) 3.933 3.481 ( -5.263 -6.293 6.794) 10.652 3.619 ( 1.864 2.687 -6.261) 7.064 3.692 ( 4.677 -2.762 6.036) 8.120 3.729 ( -6.117 -0.427 2.929) 6.796 3.866 ( 0.979 -6.377 -0.016) 6.452 4.037 ( -3.697 5.669 5.122) 8.488 4.178 ( -4.672 7.443 -8.005) 11.887 4.282 ( 2.614 7.692 -10.848) 13.553 4.374 ( 4.252 5.748 -5.271) 8.883 4.525 ( -2.995 3.398 -8.746) 9.849 4.622 ( 5.087 -0.397 -6.309) 8.114 4.681 ( 4.315 5.851 0.193) 7.272 4.769 ( -6.217 4.900 1.261) 8.016 4.839 ( 3.656 7.075 0.093) 7.964 4.918 ( -4.148 3.851 -5.515) 7.902 5.139 ( -2.744 3.938 -9.162) 10.343 5.216 ( 8.476 -2.862 -4.696) 10.104 5.293 ( 1.267 -2.477 -3.367) 4.368 5.330 ( 0.518 -1.043 -3.069) 3.282 5.440 ( 6.149 -4.000 -3.503) 8.128 5.479 ( 19.794 4.046 1.863) 20.289 5.619 ( 12.301 4.297 -1.296) 13.094 5.680 ( 0.358 4.076 -3.484) 5.374 5.903 ( -3.825 4.276 2.134) 6.121 6.058 ( 1.568 -2.619 4.928) 5.797 6.089 ( -0.790 -4.343 2.209) 4.936 6.259 ( -6.035 0.364 0.745) 6.092 6.421 ( -1.600 -0.752 6.426) 6.665 6.475 ( -0.271 0.461 4.580) 4.611 6.613 ( -7.271 -0.591 -3.599) 8.134 6.682 ( -1.694 -2.255 -5.486) 6.169 6.834 ( -1.422 -0.766 -3.808) 4.136 6.963 ( -1.732 -2.551 7.091) 7.733 7.026 ( -4.398 -0.073 -2.116) 4.881 7.124 ( -1.180 -0.352 -7.311) 7.414 7.229 ( -2.312 -4.717 -0.343) 5.264 7.408 ( -9.433 3.435 -0.693) 10.063 7.510 ( -1.063 5.746 -6.726) 8.910 7.580 ( 1.226 -1.661 -7.934) 8.199 7.705 ( -1.551 3.548 1.942) 4.332 7.771 ( -0.134 5.930 -6.897) 9.097 7.842 ( 9.631 4.862 -14.270) 17.889 7.981 ( 7.395 2.818 -5.187) 9.462 8.019 ( 1.992 5.181 -4.760) 7.313 8.238 ( 2.713 1.644 5.994) 6.782 8.428 ( 2.831 -3.424 -2.835) 5.271 8.520 ( 4.958 0.505 3.939) 6.352 8.752 ( -3.641 2.669 2.230) 5.035 8.780 ( 4.919 2.428 -1.322) 5.642 8.962 ( 12.956 0.703 1.367) 13.047 9.102 ( 5.583 -5.106 5.253) 9.210 9.248 ( 1.212 -2.689 3.009) 4.214 9.361 ( 3.537 0.477 2.803) 4.538 9.405 ( -3.753 -4.957 -0.058) 6.217 9.559 ( -0.356 -2.579 -0.695) 2.695 9.643 ( -1.889 -6.781 0.908) 7.097 9.770 ( -0.642 -1.567 -4.942) 5.224 9.881 ( -6.275 -0.154 5.179) 8.138 10.109 ( -7.552 -1.008 11.888) 14.119 10.166 ( 1.189 -1.102 -1.439) 2.167 10.173 ( -3.101 1.222 3.386) 4.752 10.560 ( 13.615 -3.306 -4.131) 14.607 10.684 ( -0.213 0.868 1.669) 1.893 10.813 ( -10.326 -2.630 4.608) 11.609 11.035 ( -3.444 0.531 -0.881) 3.594 11.148 ( 0.451 -7.225 -0.471) 7.255 11.391 ( -2.380 1.016 -6.144) 6.667 11.534 ( 1.152 -1.241 2.786) 3.260 11.664 ( -2.681 0.427 2.651) 3.795 12.208 ( -6.049 6.242 6.651) 10.945 12.274 ( 6.462 2.267 -6.796) 9.648 12.591 ( -8.225 2.631 9.459) 12.808 12.801 ( 3.225 -4.879 -5.276) 7.876 13.060 ( -1.120 -3.445 0.221) 3.630 13.123 ( -2.091 -1.323 -2.073) 3.228 13.252 ( 2.198 -7.163 1.301) 7.605 13.364 ( -3.837 -3.081 1.572) 5.166 14.834 ( 7.701 6.098 3.598) 10.462 15.524 ( -15.039 3.733 6.252) 16.709 15.959 ( 1.798 -18.376 -0.074) 18.463 16.114 ( -3.071 -6.919 -1.515) 7.720 16.142 ( 0.563 -5.429 4.238) 6.910 16.227 ( 0.960 -1.764 -2.422) 3.147 16.766 ( 4.204 16.531 -1.151) 17.096 17.067 ( -12.561 21.991 6.591) 26.169 17.237 ( 10.094 4.206 -8.496) 13.848 17.460 ( -0.424 -1.219 -8.350) 8.449 18.090 ( 13.399 -8.097 4.871) 16.395 18.782 ( -12.773 -11.443 6.229) 18.245 21.447 ( 0.908 1.384 -2.082) 2.660 21.477 ( 0.742 0.939 -0.961) 1.535 21.559 ( 2.104 1.030 -1.783) 2.944 21.613 ( 3.002 1.613 1.432) 3.696 21.674 ( -1.624 1.392 0.678) 2.244 21.848 ( -0.483 -0.300 -1.021) 1.168 22.219 ( 0.135 -2.112 5.287) 5.695 22.313 ( -1.088 -1.877 7.473) 7.782 22.449 ( -0.797 -7.351 -0.776) 7.435 22.467 ( 1.303 -7.076 -0.584) 7.218 22.951 ( 4.516 10.813 -6.272) 13.291 23.189 ( -3.224 6.803 -4.421) 8.731 ======================= Grid point 204 (102/112) ======================= q-point: ( 0.44 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.044 12.224 -0.045) 12.224 1.230 ( -0.862 14.132 -2.538) 14.384 1.740 ( 25.623 5.557 -3.962) 26.516 1.863 ( -2.151 2.144 23.526) 23.721 2.004 ( -11.079 3.557 2.941) 12.001 2.145 ( -8.831 1.380 -10.839) 14.049 2.403 ( -4.263 -1.906 12.322) 13.177 2.457 ( 4.041 -3.217 -3.539) 6.261 2.535 ( -0.488 -4.557 0.878) 4.666 2.632 ( -5.120 -3.341 -3.015) 6.817 2.775 ( 8.738 1.455 0.486) 8.872 2.891 ( -3.949 -2.087 0.088) 4.468 2.949 ( 1.853 -2.638 4.408) 5.461 3.012 ( -4.145 1.161 2.975) 5.233 3.109 ( 5.936 5.337 6.111) 10.053 3.215 ( -2.686 -2.530 -1.858) 4.132 3.263 ( 4.260 -5.345 -2.569) 7.302 3.298 ( -6.607 -0.160 5.290) 8.465 3.481 ( 6.031 2.384 0.588) 6.512 3.507 ( -1.333 -1.307 3.063) 3.587 3.587 ( 0.256 0.383 -0.133) 0.479 3.636 ( -3.914 -2.739 -3.206) 5.753 3.829 ( 5.936 -1.653 1.831) 6.428 3.915 ( -5.877 1.316 5.805) 8.365 4.000 ( -5.119 1.550 1.190) 5.479 4.082 ( -1.825 -0.025 10.517) 10.675 4.115 ( 2.488 2.276 -15.759) 16.116 4.292 ( -1.739 1.899 -12.235) 12.503 4.446 ( 3.728 10.328 -1.951) 11.152 4.534 ( -3.341 4.882 -5.803) 8.287 4.701 ( 3.304 3.981 -2.394) 5.701 4.755 ( -5.841 2.433 0.532) 6.350 4.818 ( 1.966 7.527 4.594) 9.034 4.890 ( -0.031 8.457 -1.591) 8.605 5.028 ( -1.326 1.699 -1.048) 2.397 5.100 ( -2.505 -1.917 -10.015) 10.500 5.293 ( 6.617 -3.092 -1.506) 7.457 5.357 ( -3.774 -0.738 1.236) 4.040 5.522 ( 4.887 -2.962 4.475) 7.259 5.626 ( 1.162 3.690 -4.857) 6.209 5.722 ( 10.389 3.592 -1.190) 11.057 5.755 ( 3.862 2.328 0.671) 4.559 5.945 ( 2.611 6.062 5.443) 8.555 6.055 ( -2.015 -2.477 -3.490) 4.730 6.132 ( 3.319 -2.386 0.558) 4.125 6.182 ( -7.727 1.102 2.474) 8.188 6.417 ( -2.802 3.057 -0.867) 4.236 6.424 ( -1.413 1.198 -4.097) 4.496 6.605 ( 0.458 -3.325 -0.501) 3.393 6.637 ( -0.047 -3.778 0.893) 3.882 6.779 ( 2.312 -1.501 3.778) 4.677 6.944 ( -3.687 -4.104 -7.885) 9.624 7.015 ( -1.203 1.396 5.535) 5.834 7.085 ( -0.091 1.203 3.179) 3.400 7.187 ( -0.300 -4.580 -3.716) 5.905 7.290 ( -6.909 -2.685 -4.593) 8.720 7.447 ( -1.400 9.367 6.849) 11.688 7.539 ( 2.296 1.899 -7.764) 8.316 7.616 ( -2.048 6.754 3.582) 7.914 7.724 ( 1.888 3.712 -11.673) 12.394 7.860 ( 5.578 3.664 3.643) 7.603 7.967 ( -1.373 5.598 -4.345) 7.218 8.078 ( 10.210 0.772 -1.563) 10.358 8.206 ( -9.852 0.868 0.199) 9.893 8.485 ( 6.359 1.558 3.238) 7.304 8.601 ( -4.258 0.384 -0.161) 4.278 8.739 ( 2.531 -1.226 1.705) 3.289 8.793 ( 0.666 -0.216 -2.672) 2.762 9.156 ( 6.296 -3.746 4.561) 8.630 9.205 ( 1.951 -10.460 -0.150) 10.641 9.308 ( 1.123 -2.210 1.752) 3.035 9.392 ( -2.632 -1.864 -1.438) 3.532 9.448 ( 10.031 2.548 3.932) 11.071 9.555 ( 3.978 -0.927 0.931) 4.189 9.623 ( -2.990 -4.238 -0.648) 5.227 9.664 ( -4.401 1.445 -6.821) 8.245 9.908 ( 3.141 0.082 2.977) 4.328 10.054 ( -15.558 0.896 2.189) 15.736 10.160 ( -6.920 -1.075 9.563) 11.853 10.178 ( 6.822 -1.718 -6.843) 9.815 10.661 ( 11.107 -1.677 -6.272) 12.866 10.721 ( -9.871 -2.449 6.143) 11.882 10.812 ( 6.100 -4.426 5.293) 9.209 10.955 ( -5.594 -3.616 -2.455) 7.099 11.159 ( 1.881 -1.082 1.392) 2.578 11.252 ( -4.817 1.496 -4.981) 7.089 11.598 ( 3.872 -0.954 0.471) 4.015 11.646 ( -3.691 -0.422 1.166) 3.894 12.232 ( -5.303 4.981 7.840) 10.695 12.262 ( 6.024 3.610 -7.700) 10.421 12.632 ( -5.357 0.661 10.650) 11.940 12.727 ( 2.239 -2.313 -10.114) 10.614 13.059 ( -0.101 -2.200 0.948) 2.398 13.078 ( 0.106 -1.159 -2.183) 2.474 13.292 ( 2.661 -5.273 0.254) 5.912 13.332 ( -3.807 -4.111 1.178) 5.725 15.048 ( 13.196 4.760 5.721) 15.150 15.317 ( -16.582 3.968 -2.615) 17.250 16.000 ( 3.186 -17.865 0.744) 18.162 16.056 ( -3.434 -15.327 -0.657) 15.720 16.206 ( 0.341 -0.931 3.260) 3.408 16.229 ( 1.375 -0.921 -1.280) 2.092 16.837 ( 7.656 18.365 -0.437) 19.902 16.954 ( -11.343 20.463 2.013) 23.483 17.273 ( 6.982 3.653 -3.272) 8.533 17.345 ( -3.437 2.003 -3.626) 5.382 18.374 ( 15.755 -10.473 5.227) 19.627 18.628 ( -15.259 -11.380 -0.239) 19.037 21.442 ( 0.860 1.376 -0.246) 1.641 21.460 ( -0.537 1.147 -1.250) 1.780 21.576 ( 2.711 0.918 -0.635) 2.932 21.611 ( -2.887 0.532 0.123) 2.938 21.727 ( 4.352 1.747 2.112) 5.143 21.805 ( -2.810 0.604 -1.793) 3.388 22.316 ( 1.786 -7.156 5.476) 9.186 22.381 ( -0.929 -10.973 0.536) 11.026 22.439 ( -0.477 -0.163 2.989) 3.031 22.471 ( 0.638 -3.664 -1.294) 3.937 22.952 ( 4.791 11.476 -1.757) 12.560 23.051 ( -5.292 9.690 -5.303) 12.249 ======================= Grid point 209 (103/112) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 0.587 22.042 -1.274) 22.087 1.450 ( -0.587 22.042 1.274) 22.087 1.901 ( -8.837 2.184 -3.621) 9.796 1.901 ( 8.837 2.184 3.621) 9.796 2.009 ( 6.921 4.470 -13.919) 16.175 2.009 ( -6.921 4.470 13.919) 16.175 2.347 ( -3.609 -5.263 -5.162) 8.208 2.347 ( 3.609 -5.263 5.162) 8.208 2.430 ( 3.186 -0.455 -3.600) 4.829 2.430 ( -3.186 -0.455 3.600) 4.829 2.776 ( -3.311 -8.957 -1.514) 9.668 2.776 ( 3.311 -8.957 1.514) 9.668 2.901 ( 0.134 -5.014 -5.805) 7.672 2.901 ( -0.134 -5.014 5.805) 7.672 3.152 ( 1.408 -2.829 -3.033) 4.380 3.152 ( -1.408 -2.829 3.033) 4.380 3.218 ( -6.377 -7.692 -2.115) 10.213 3.218 ( 6.377 -7.692 2.115) 10.213 3.456 ( -2.023 0.166 -2.060) 2.892 3.456 ( 2.023 0.166 2.060) 2.892 3.704 ( 3.390 0.555 -3.497) 4.902 3.704 ( -3.390 0.555 3.497) 4.902 4.041 ( -5.522 5.511 -7.205) 10.619 4.041 ( 5.522 5.511 7.205) 10.619 4.121 ( -14.261 1.886 0.318) 14.389 4.121 ( 14.261 1.886 -0.318) 14.389 4.285 ( -7.295 13.566 -13.367) 20.395 4.285 ( 7.295 13.566 13.367) 20.395 4.518 ( -2.225 0.251 -4.203) 4.763 4.518 ( 2.225 0.251 4.203) 4.763 4.794 ( 1.910 4.945 -1.974) 5.657 4.794 ( -1.910 4.945 1.974) 5.657 4.883 ( -1.212 0.524 -6.331) 6.467 4.883 ( 1.212 0.524 6.331) 6.467 5.058 ( -1.475 5.852 -4.093) 7.292 5.058 ( 1.475 5.852 4.093) 7.292 5.304 ( -2.346 8.192 -2.747) 8.953 5.304 ( 2.346 8.192 2.747) 8.953 5.427 ( -0.842 -1.259 -4.733) 4.970 5.427 ( 0.842 -1.259 4.733) 4.970 5.768 ( 0.619 -2.528 -5.996) 6.537 5.768 ( -0.619 -2.528 5.996) 6.537 6.039 ( -0.958 2.060 -3.901) 4.515 6.039 ( 0.958 2.060 3.901) 4.515 6.156 ( -0.667 -3.001 -3.751) 4.850 6.156 ( 0.667 -3.001 3.751) 4.850 6.356 ( -0.495 4.129 -1.293) 4.355 6.356 ( 0.495 4.129 1.293) 4.355 6.628 ( 0.320 -4.939 -2.033) 5.350 6.628 ( -0.320 -4.939 2.033) 5.350 6.840 ( -0.374 -10.170 -2.694) 10.527 6.840 ( 0.374 -10.170 2.694) 10.527 7.222 ( -0.692 -2.961 -1.285) 3.301 7.222 ( 0.692 -2.961 1.285) 3.301 7.536 ( 0.636 2.818 -6.662) 7.261 7.536 ( -0.636 2.818 6.662) 7.261 7.712 ( -1.760 3.562 -8.863) 9.713 7.712 ( 1.760 3.562 8.863) 9.713 7.982 ( 10.909 3.085 -6.198) 12.920 7.982 ( -10.909 3.085 6.198) 12.920 8.135 ( -1.114 -2.855 -2.100) 3.715 8.135 ( 1.114 -2.855 2.100) 3.715 8.311 ( -5.013 5.965 -0.206) 7.794 8.311 ( 5.013 5.965 0.206) 7.794 8.484 ( -4.257 10.902 -2.414) 11.950 8.484 ( 4.257 10.902 2.414) 11.950 8.593 ( -0.777 5.621 -16.254) 17.216 8.593 ( 0.777 5.621 16.254) 17.216 8.787 ( 3.339 -1.640 -13.247) 13.760 8.787 ( -3.339 -1.640 13.247) 13.760 9.057 ( -0.517 -2.666 -3.603) 4.512 9.057 ( 0.517 -2.666 3.603) 4.512 9.487 ( 0.209 -5.172 -2.249) 5.644 9.487 ( -0.209 -5.172 2.249) 5.644 9.585 ( -2.240 -8.013 -3.053) 8.863 9.585 ( 2.240 -8.013 3.053) 8.863 9.971 ( 1.135 -0.015 -7.233) 7.321 9.971 ( -1.135 -0.015 7.233) 7.321 10.172 ( 6.691 -3.460 -6.391) 9.878 10.172 ( -6.691 -3.460 6.391) 9.878 10.569 ( -5.598 2.395 -8.190) 10.205 10.569 ( 5.598 2.395 8.190) 10.205 10.877 ( 5.634 -7.548 -5.088) 10.706 10.877 ( -5.634 -7.548 5.088) 10.706 11.242 ( 1.812 5.665 -0.900) 6.016 11.242 ( -1.812 5.665 0.900) 6.016 11.650 ( 2.204 -1.892 -3.476) 4.530 11.650 ( -2.204 -1.892 3.476) 4.530 12.344 ( 4.813 5.418 -9.054) 11.597 12.344 ( -4.813 5.418 9.054) 11.597 12.704 ( -3.493 -5.914 -3.444) 7.683 12.704 ( 3.493 -5.914 3.444) 7.683 12.960 ( -4.312 2.535 -4.778) 6.917 12.960 ( 4.312 2.535 4.778) 6.917 13.173 ( -1.210 -5.188 -4.993) 7.302 13.173 ( 1.210 -5.188 4.993) 7.302 15.201 ( -3.652 5.614 -10.944) 12.831 15.201 ( 3.652 5.614 10.944) 12.831 15.691 ( -1.545 -12.901 -3.985) 13.591 15.691 ( 1.545 -12.901 3.985) 13.591 16.423 ( -1.048 0.028 -0.169) 1.062 16.423 ( 1.048 0.028 0.169) 1.062 17.223 ( 2.212 9.254 -8.732) 12.915 17.223 ( -2.212 9.254 8.732) 12.915 17.366 ( 0.661 9.901 -4.881) 11.059 17.366 ( -0.661 9.901 4.881) 11.059 18.193 ( -0.859 -15.193 -14.888) 21.289 18.193 ( 0.859 -15.193 14.888) 21.289 21.454 ( 0.389 1.405 -0.211) 1.473 21.454 ( -0.389 1.405 0.211) 1.473 21.615 ( 0.690 0.801 -1.405) 1.758 21.615 ( -0.690 0.801 1.405) 1.758 21.777 ( -0.458 1.867 -2.298) 2.996 21.777 ( 0.458 1.867 2.298) 2.996 22.231 ( 1.297 -6.318 -0.898) 6.512 22.231 ( -1.297 -6.318 0.898) 6.512 22.388 ( -0.983 0.031 -0.764) 1.245 22.388 ( 0.983 0.031 0.764) 1.245 23.199 ( -0.296 5.323 -3.041) 6.138 23.199 ( 0.296 5.323 3.041) 6.138 ======================= Grid point 211 (104/112) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -7.434 22.826 0.522) 24.011 1.454 ( -3.935 19.001 4.794) 19.988 1.704 ( -11.781 3.291 -1.761) 12.359 1.889 ( 5.128 8.253 -15.831) 18.575 1.991 ( -1.532 -4.940 2.898) 5.929 2.079 ( -2.483 -0.951 8.019) 8.449 2.318 ( -7.126 -5.133 7.249) 11.388 2.371 ( -1.813 2.584 3.233) 4.519 2.487 ( -5.291 -3.133 10.580) 12.237 2.525 ( 3.888 -5.362 3.226) 7.367 2.687 ( -6.409 -8.088 -0.200) 10.321 2.787 ( -5.583 -7.348 0.250) 9.232 2.852 ( 3.506 -2.308 -1.962) 4.633 2.977 ( 1.047 -0.700 5.179) 5.330 3.112 ( -4.020 -1.408 -0.475) 4.285 3.122 ( -7.155 -7.209 6.256) 11.929 3.188 ( 0.233 -1.278 2.156) 2.517 3.332 ( 4.843 -0.437 -1.008) 4.966 3.424 ( -6.421 -2.442 6.495) 9.454 3.517 ( 1.484 -0.355 1.358) 2.043 3.599 ( -9.003 3.506 -0.473) 9.673 3.676 ( -1.518 0.692 -1.653) 2.349 3.875 ( -6.158 2.748 -4.926) 8.351 3.951 ( -5.684 1.401 -3.069) 6.609 4.009 ( -5.690 5.966 -8.894) 12.127 4.280 ( 16.720 7.056 0.331) 18.151 4.372 ( 15.928 1.360 0.511) 15.994 4.483 ( 8.245 0.379 -3.676) 9.035 4.504 ( 3.391 12.214 2.105) 12.850 4.677 ( 12.037 1.726 3.363) 12.616 4.761 ( -1.176 5.556 -1.708) 5.930 4.824 ( 1.608 1.539 3.244) 3.934 4.873 ( 2.652 4.859 -0.592) 5.567 4.981 ( 3.826 -0.879 2.618) 4.719 5.038 ( 7.642 3.258 -3.718) 9.101 5.170 ( 5.221 8.007 3.069) 10.040 5.230 ( -0.548 8.908 -4.276) 9.896 5.317 ( -0.870 -2.040 -1.951) 2.954 5.394 ( 1.240 1.498 0.655) 2.052 5.497 ( 4.159 2.772 0.645) 5.040 5.650 ( 0.492 3.528 -11.524) 12.062 5.789 ( -1.036 -6.513 -0.571) 6.619 5.946 ( -1.480 0.535 -4.865) 5.113 6.069 ( -2.892 1.788 2.376) 4.148 6.107 ( -1.954 1.734 -1.873) 3.215 6.214 ( -0.376 -5.987 3.837) 7.121 6.331 ( -2.129 3.291 -0.197) 3.925 6.431 ( 0.068 2.616 6.297) 6.819 6.580 ( -2.382 -4.075 0.539) 4.751 6.653 ( 3.030 -7.359 -1.856) 8.172 6.802 ( -1.224 -8.345 -0.700) 8.463 6.859 ( -2.591 -8.773 1.293) 9.238 7.217 ( -1.688 -1.243 3.376) 3.974 7.267 ( 1.390 -2.639 1.299) 3.253 7.423 ( -1.198 5.897 -8.012) 10.020 7.569 ( 3.665 -0.137 -10.107) 10.752 7.630 ( 4.304 1.517 0.816) 4.636 7.744 ( -8.660 -0.386 0.925) 8.718 7.980 ( -2.898 6.380 4.966) 8.588 8.039 ( 8.418 1.031 -8.838) 12.249 8.056 ( -3.621 3.202 -1.581) 5.086 8.098 ( -0.057 -0.626 -10.446) 10.465 8.267 ( -2.221 3.765 1.741) 4.706 8.296 ( -0.225 9.089 -12.610) 15.546 8.403 ( 3.769 5.815 0.426) 6.943 8.433 ( 2.595 4.520 -3.056) 6.041 8.528 ( 2.534 5.429 -4.462) 7.470 8.737 ( 8.195 0.830 -4.085) 9.194 8.743 ( -0.407 2.053 5.370) 5.763 8.955 ( -0.969 1.675 10.240) 10.421 9.064 ( 2.831 -4.315 3.315) 6.134 9.137 ( 4.145 -1.454 3.341) 5.519 9.415 ( -3.631 -2.491 -2.094) 4.876 9.445 ( -6.993 -7.164 1.468) 10.119 9.568 ( -0.533 -5.667 0.992) 5.777 9.696 ( 3.140 -8.375 5.271) 10.381 9.900 ( 1.551 -0.172 -6.292) 6.482 10.057 ( -3.359 -1.461 7.055) 7.949 10.095 ( -7.461 0.785 5.806) 9.487 10.191 ( 0.586 -7.595 -3.932) 8.572 10.415 ( -1.431 5.774 -4.685) 7.572 10.728 ( 1.427 -1.987 3.876) 4.583 10.859 ( -4.171 -5.449 5.275) 8.656 10.904 ( 3.832 -5.023 -1.623) 6.524 11.207 ( -2.363 5.351 -0.654) 5.887 11.278 ( 6.396 1.878 -3.294) 7.435 11.621 ( -2.572 -1.659 -0.311) 3.076 11.660 ( -4.091 -0.976 4.550) 6.196 12.306 ( 6.319 4.561 -7.595) 10.882 12.403 ( -4.663 7.768 8.344) 12.317 12.628 ( -1.885 -4.442 -1.988) 5.219 12.799 ( -0.209 -8.774 3.248) 9.358 12.849 ( -0.942 2.960 -2.157) 3.782 13.075 ( 2.735 1.985 4.415) 5.560 13.091 ( -1.948 -6.260 -3.223) 7.306 13.252 ( 0.150 -4.782 4.655) 6.676 15.030 ( -2.939 8.914 -6.884) 11.640 15.399 ( 1.177 0.547 12.189) 12.258 15.642 ( -0.622 -11.724 -0.449) 11.749 15.785 ( 1.704 -10.183 6.363) 12.128 16.354 ( -6.490 0.859 -2.028) 6.853 16.387 ( -4.381 -0.653 -1.917) 4.827 17.117 ( 0.726 12.875 -8.108) 15.232 17.278 ( 3.460 4.575 -0.952) 5.815 17.368 ( 5.713 3.877 -2.043) 7.200 17.462 ( -2.646 14.012 10.144) 17.500 17.982 ( 0.352 -10.296 -14.611) 17.877 18.384 ( -1.796 -17.312 13.534) 22.048 21.460 ( 1.191 1.414 -0.014) 1.849 21.464 ( 1.483 1.173 -0.252) 1.907 21.604 ( 0.957 1.187 -1.883) 2.423 21.619 ( -0.299 0.757 0.176) 0.832 21.744 ( 0.273 3.009 -2.057) 3.655 21.810 ( 1.015 -0.024 0.867) 1.335 22.232 ( -2.061 -4.213 3.013) 5.575 22.249 ( 0.139 -5.514 1.600) 5.743 22.328 ( -4.714 0.313 -1.340) 4.910 22.373 ( -3.290 -2.109 -0.051) 3.908 23.172 ( 3.522 6.864 -4.420) 8.892 23.258 ( 3.506 3.147 1.244) 4.873 ======================= Grid point 212 (105/112) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -5.197 19.447 6.999) 21.312 1.493 ( -6.358 12.717 9.630) 17.172 1.611 ( -3.580 10.770 6.573) 13.115 1.741 ( 4.538 7.614 -13.271) 15.960 2.065 ( -5.997 -6.194 8.843) 12.351 2.144 ( 5.746 -5.782 5.283) 9.714 2.274 ( -11.823 -3.397 8.744) 15.092 2.404 ( -5.594 -6.901 5.659) 10.533 2.470 ( -17.047 -8.004 8.757) 20.769 2.588 ( 4.724 -0.490 1.204) 4.900 2.682 ( -0.717 -2.333 6.517) 6.959 2.719 ( -3.688 -0.223 0.263) 3.704 2.874 ( -1.981 -0.993 1.480) 2.664 3.020 ( -7.334 3.188 -0.810) 8.038 3.048 ( -2.206 -2.767 4.077) 5.399 3.126 ( -1.986 -3.070 3.536) 5.087 3.273 ( -0.599 1.039 7.610) 7.704 3.362 ( -0.909 4.194 4.097) 5.933 3.394 ( -7.604 2.673 3.954) 8.978 3.470 ( -4.225 5.318 -4.263) 8.019 3.537 ( 1.113 -2.182 2.004) 3.164 3.677 ( -2.046 -2.989 3.919) 5.336 3.750 ( -4.193 -1.833 -3.873) 5.995 3.847 ( 4.073 8.549 -10.639) 14.243 3.951 ( 0.222 -8.245 3.957) 9.148 4.421 ( 11.559 3.609 -9.359) 15.304 4.448 ( 9.115 -1.461 -10.617) 14.069 4.549 ( 3.979 10.587 -0.072) 11.310 4.630 ( 9.460 6.276 -1.684) 11.477 4.749 ( 1.479 8.004 -1.183) 8.225 4.808 ( -4.203 4.822 -1.451) 6.559 4.841 ( 6.568 1.406 0.610) 6.744 4.913 ( 4.418 5.746 -1.759) 7.458 5.075 ( 9.285 -8.471 -10.538) 16.402 5.119 ( 4.235 4.836 -0.052) 6.428 5.200 ( 9.323 0.673 0.398) 9.356 5.284 ( 6.221 9.754 -0.481) 11.579 5.315 ( 3.002 3.901 1.447) 5.130 5.378 ( -0.749 1.305 -4.349) 4.602 5.492 ( 1.550 -0.402 -7.461) 7.631 5.622 ( 7.131 7.915 1.113) 10.712 5.784 ( 2.078 -5.825 -0.189) 6.187 5.853 ( -1.645 -0.781 -4.957) 5.281 6.004 ( -4.982 2.287 -1.873) 5.793 6.081 ( 0.647 -0.290 -0.501) 0.868 6.237 ( -3.587 -7.728 2.293) 8.823 6.334 ( -2.137 2.440 5.507) 6.391 6.420 ( -3.173 -2.477 0.688) 4.084 6.638 ( -2.847 -1.512 7.675) 8.324 6.686 ( 2.343 -6.843 1.151) 7.325 6.754 ( -6.562 -5.213 0.699) 8.410 6.833 ( -1.345 -4.746 1.504) 5.157 7.216 ( -5.081 5.529 -5.576) 9.353 7.236 ( -1.675 1.233 0.895) 2.265 7.332 ( 1.942 -1.837 -8.394) 8.810 7.465 ( -1.479 -4.149 -8.259) 9.361 7.616 ( -6.017 1.719 -1.746) 6.497 7.707 ( 4.797 0.253 -0.393) 4.820 7.842 ( -1.379 6.346 -9.497) 11.505 7.912 ( 3.316 -0.092 -13.639) 14.037 7.996 ( 0.100 4.109 -6.210) 7.447 8.090 ( 6.094 0.967 -1.854) 6.443 8.211 ( 1.293 8.139 -6.470) 10.478 8.313 ( 3.244 7.357 -3.538) 8.785 8.355 ( 1.019 9.935 0.840) 10.022 8.517 ( 1.176 1.386 1.175) 2.164 8.574 ( 6.724 -7.811 5.058) 11.481 8.798 ( 3.336 0.338 0.077) 3.354 8.826 ( 5.467 3.893 2.113) 7.036 9.010 ( -0.530 -0.935 1.106) 1.542 9.144 ( 1.195 -1.333 3.133) 3.608 9.258 ( 7.245 -4.017 1.190) 8.369 9.344 ( -7.238 -5.015 2.885) 9.266 9.419 ( 1.041 -1.017 1.616) 2.175 9.566 ( -2.177 -3.716 1.984) 4.742 9.775 ( -3.113 -4.099 4.136) 6.603 9.845 ( 2.418 -2.622 -4.150) 5.472 10.050 ( -4.592 -4.026 5.520) 8.232 10.109 ( -5.241 -2.572 1.402) 6.004 10.176 ( -1.250 0.548 6.572) 6.712 10.403 ( 5.974 2.383 -3.195) 7.182 10.710 ( -4.578 -5.084 0.310) 6.848 10.871 ( -5.550 1.056 3.635) 6.718 10.952 ( 2.309 -5.204 1.265) 5.832 11.155 ( -2.352 3.717 -1.884) 4.785 11.328 ( 8.026 -3.725 -4.307) 9.841 11.571 ( -6.130 0.727 1.946) 6.472 11.664 ( -4.120 -0.951 4.237) 5.986 12.310 ( 7.065 5.009 -5.634) 10.332 12.419 ( -6.224 9.976 5.120) 12.824 12.615 ( 0.909 -4.378 0.950) 4.571 12.725 ( -4.614 -2.172 -1.624) 5.352 12.928 ( 2.475 -5.297 3.897) 7.027 13.045 ( 0.283 -6.425 -1.464) 6.595 13.143 ( -0.339 0.844 2.991) 3.126 13.290 ( -2.619 -5.137 3.210) 6.600 14.953 ( 0.734 11.121 -1.694) 11.273 15.521 ( -1.087 -11.130 5.794) 12.595 15.673 ( -3.668 -1.038 7.424) 8.345 15.896 ( -1.031 -7.697 8.172) 11.273 16.214 ( -6.273 1.364 -4.090) 7.612 16.274 ( -4.524 -1.173 -4.205) 6.287 17.051 ( 2.680 12.675 -4.607) 13.750 17.311 ( 8.706 5.499 -6.236) 12.038 17.427 ( 6.606 -3.260 -4.361) 8.560 17.522 ( -10.765 13.566 12.626) 21.432 17.850 ( 6.671 -2.710 -10.300) 12.567 18.490 ( -6.603 -18.168 10.003) 21.765 21.479 ( 2.147 1.194 -1.145) 2.711 21.485 ( 2.010 0.928 -0.429) 2.255 21.590 ( 0.891 1.601 -1.658) 2.471 21.618 ( 0.386 1.198 -0.012) 1.259 21.728 ( 0.398 2.757 -1.237) 3.048 21.828 ( 1.334 -1.293 -0.409) 1.902 22.219 ( -5.843 0.747 0.218) 5.895 22.253 ( -3.352 -0.713 4.583) 5.723 22.309 ( 0.872 -4.678 2.886) 5.565 22.325 ( -2.489 -5.303 0.620) 5.891 23.164 ( 4.752 7.718 -5.578) 10.642 23.305 ( 2.840 1.381 -1.556) 3.521 ======================= Grid point 213 (106/112) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 2.686 14.059 7.710) 16.257 1.543 ( -0.715 16.756 5.786) 17.741 1.685 ( 9.488 7.267 -3.108) 12.349 1.761 ( -1.142 12.053 12.009) 17.053 2.074 ( -1.418 -0.064 3.731) 3.992 2.241 ( -6.655 -7.094 4.902) 10.893 2.300 ( -4.102 -2.774 6.370) 8.068 2.358 ( -11.391 -7.745 7.792) 15.826 2.440 ( -2.983 -9.334 7.605) 12.404 2.652 ( -2.672 -2.718 5.431) 6.635 2.723 ( -2.399 -0.496 3.568) 4.328 2.765 ( 1.577 -1.005 3.409) 3.888 2.852 ( -0.199 -1.157 2.237) 2.526 2.899 ( -7.703 -0.692 3.750) 8.596 3.072 ( -0.617 -0.083 4.244) 4.290 3.174 ( 3.550 -1.639 -0.476) 3.939 3.283 ( -12.136 1.486 6.834) 14.007 3.351 ( -2.213 6.013 -3.327) 7.220 3.372 ( -5.400 -2.425 7.957) 9.917 3.458 ( 2.693 3.330 2.126) 4.781 3.586 ( -2.248 -6.435 -3.050) 7.468 3.627 ( -1.069 -6.154 0.732) 6.289 3.735 ( 1.600 2.716 1.393) 3.446 3.833 ( 8.150 9.109 -1.660) 12.336 4.000 ( -1.779 -5.377 3.862) 6.855 4.366 ( 7.487 -1.186 -15.441) 17.202 4.428 ( 2.016 8.686 -9.720) 13.191 4.502 ( 1.578 5.479 -10.379) 11.842 4.629 ( -0.065 6.707 -6.803) 9.554 4.711 ( 4.345 10.030 -5.611) 12.287 4.816 ( -0.939 3.026 1.773) 3.631 4.837 ( 0.791 2.462 -2.397) 3.526 4.917 ( -3.619 -0.562 -4.599) 5.879 5.032 ( 7.485 3.707 -2.271) 8.656 5.181 ( 0.027 -4.656 -8.105) 9.347 5.196 ( 3.405 1.259 -2.126) 4.207 5.282 ( -3.306 9.289 -4.101) 10.679 5.359 ( 5.567 6.004 0.953) 8.243 5.407 ( 3.021 0.275 -2.953) 4.233 5.576 ( 17.103 2.651 1.786) 17.399 5.710 ( 3.974 1.219 -1.477) 4.412 5.777 ( 2.091 5.233 -0.908) 5.708 5.880 ( 4.059 -7.089 2.100) 8.434 5.952 ( -0.756 -1.593 1.600) 2.381 6.085 ( -1.006 1.158 -0.127) 1.539 6.210 ( 0.295 -5.290 0.212) 5.303 6.379 ( -0.760 -1.997 3.877) 4.427 6.460 ( -0.379 -0.326 6.304) 6.324 6.584 ( -10.864 -3.080 1.993) 11.467 6.699 ( 1.996 2.240 -3.330) 4.482 6.724 ( -5.879 -6.075 3.516) 9.156 6.882 ( 3.755 -4.432 3.126) 6.596 7.054 ( -3.364 2.138 -5.993) 7.197 7.099 ( -3.091 -1.006 -18.367) 18.652 7.217 ( -6.549 1.637 4.217) 7.959 7.395 ( -7.999 -4.232 0.838) 9.088 7.527 ( 1.947 1.681 -4.070) 4.815 7.668 ( -1.782 2.790 -2.339) 4.053 7.835 ( 3.346 1.910 -8.482) 9.316 7.860 ( 8.284 5.927 -2.550) 10.500 7.942 ( 2.764 5.765 -2.666) 6.927 8.037 ( -0.248 2.297 -10.251) 10.508 8.168 ( 5.006 7.240 -1.650) 8.955 8.367 ( -5.939 7.098 2.958) 9.716 8.375 ( 6.413 4.250 0.381) 7.703 8.560 ( 1.636 2.156 1.306) 3.005 8.670 ( 3.780 -6.612 -0.784) 7.657 8.878 ( 4.809 -7.802 2.492) 9.498 8.899 ( 0.859 3.569 0.953) 3.792 8.999 ( -1.446 -5.047 0.016) 5.250 9.217 ( 5.693 0.926 1.732) 6.023 9.312 ( -2.316 -3.227 2.478) 4.681 9.358 ( 7.773 -2.646 -0.161) 8.213 9.466 ( 0.915 -4.371 0.472) 4.490 9.591 ( 1.787 3.272 2.909) 4.729 9.738 ( -5.034 -1.166 0.921) 5.249 9.837 ( 0.237 -3.305 -0.571) 3.363 10.069 ( 1.166 -8.198 1.490) 8.414 10.116 ( -5.083 1.944 7.819) 9.527 10.210 ( -4.960 0.537 3.133) 5.891 10.480 ( 10.004 -1.795 -1.591) 10.288 10.661 ( -3.649 -4.274 1.639) 5.854 10.803 ( -8.230 1.625 1.166) 8.469 10.953 ( -4.386 -5.818 -0.100) 7.286 11.126 ( 1.669 3.634 -0.238) 4.006 11.352 ( 3.337 -4.717 -5.112) 7.714 11.528 ( -3.354 1.614 2.598) 4.539 11.654 ( -4.486 -1.962 2.658) 5.571 12.337 ( 6.119 6.404 -3.926) 9.688 12.397 ( -4.433 8.967 3.167) 10.492 12.636 ( -5.839 -0.307 5.365) 7.936 12.671 ( 3.445 -6.674 -4.688) 8.854 12.981 ( -0.209 -3.094 2.607) 4.051 13.059 ( 2.948 -4.629 -1.130) 5.603 13.155 ( -1.423 -1.339 1.500) 2.464 13.271 ( -4.749 -5.293 1.923) 7.367 15.010 ( 6.065 10.767 3.033) 12.725 15.573 ( -0.908 -11.795 4.276) 12.579 15.644 ( -11.034 0.657 2.182) 11.267 15.905 ( -8.954 -8.435 1.879) 12.445 16.151 ( 1.729 1.205 0.763) 2.241 16.204 ( 0.988 -1.132 -1.680) 2.253 17.069 ( 6.044 12.478 -1.715) 13.970 17.348 ( 8.489 7.206 -5.731) 12.523 17.384 ( -1.956 -0.789 -4.608) 5.068 17.527 ( -9.722 14.194 7.117) 18.619 17.906 ( 13.192 -6.806 -2.109) 14.994 18.466 ( -11.087 -18.320 4.556) 21.893 21.479 ( 1.144 1.546 -1.834) 2.658 21.497 ( 1.044 0.774 -1.101) 1.703 21.587 ( 1.461 1.609 -1.219) 2.492 21.631 ( 0.185 0.043 0.487) 0.523 21.727 ( 1.533 3.436 0.040) 3.763 21.835 ( 0.888 -1.083 -0.943) 1.688 22.165 ( -2.813 -2.301 0.886) 3.740 22.232 ( -3.690 -5.028 0.666) 6.272 22.362 ( 0.387 -1.391 5.566) 5.751 22.379 ( 0.487 -2.031 5.348) 5.741 23.148 ( 4.169 7.847 -5.546) 10.475 23.282 ( -0.239 1.818 -4.441) 4.804 ======================= Grid point 214 (107/112) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 5.560 18.974 0.056) 19.772 1.596 ( -4.133 19.516 1.851) 20.034 1.849 ( 19.147 4.249 -1.446) 19.666 1.947 ( -4.168 5.347 19.129) 20.295 2.070 ( -4.256 2.126 -2.715) 5.477 2.147 ( -4.600 -1.545 -7.182) 8.668 2.314 ( -5.416 -6.209 8.230) 11.645 2.384 ( -1.422 -6.081 -2.693) 6.801 2.429 ( -0.461 -3.833 8.388) 9.234 2.593 ( -7.597 -0.626 -4.396) 8.799 2.747 ( -3.724 -4.352 10.927) 12.337 2.825 ( 3.154 -3.421 -6.906) 8.328 2.920 ( 7.948 -0.204 4.768) 9.271 3.009 ( -1.488 -3.361 14.317) 14.781 3.101 ( -7.309 -0.935 -5.481) 9.183 3.150 ( 4.913 -4.669 -5.320) 8.617 3.233 ( 0.809 2.498 2.230) 3.444 3.310 ( -5.789 -0.059 4.210) 7.158 3.399 ( -3.613 -6.690 4.730) 8.954 3.467 ( -2.124 -8.226 -5.251) 9.988 3.543 ( 5.421 3.006 2.161) 6.565 3.625 ( -2.786 -0.037 -0.652) 2.862 3.841 ( 3.624 0.239 9.051) 9.752 3.932 ( 2.160 1.453 2.412) 3.549 4.081 ( 2.901 4.176 8.193) 9.642 4.202 ( 3.115 9.207 -14.828) 17.730 4.259 ( -4.425 5.942 -8.361) 11.171 4.299 ( -5.489 8.568 -14.206) 17.474 4.577 ( 2.306 1.872 -1.914) 3.534 4.646 ( -2.200 2.372 -7.383) 8.061 4.786 ( 7.089 1.050 -2.251) 7.512 4.850 ( -6.959 1.900 3.243) 7.910 4.923 ( 2.485 3.889 4.721) 6.602 5.033 ( -2.277 -2.333 -7.395) 8.081 5.084 ( 4.158 8.864 -1.159) 9.859 5.159 ( -5.147 10.585 -2.279) 11.989 5.277 ( 8.128 1.395 0.250) 8.251 5.384 ( -4.073 2.545 -0.577) 4.838 5.491 ( 6.529 1.674 3.921) 7.798 5.632 ( -2.645 -1.872 -5.464) 6.352 5.808 ( 9.430 2.478 -0.922) 9.794 5.830 ( 0.144 2.872 4.105) 5.012 5.947 ( 3.199 -5.121 -0.590) 6.067 5.971 ( -2.615 -5.538 2.102) 6.475 6.111 ( 3.827 2.207 2.921) 5.297 6.207 ( -0.914 -0.584 -3.482) 3.647 6.415 ( 1.887 0.101 0.718) 2.022 6.456 ( -6.078 1.826 3.103) 7.064 6.584 ( 2.811 -2.095 0.813) 3.599 6.631 ( -2.831 3.687 -4.138) 6.224 6.682 ( 0.198 -5.078 2.986) 5.895 6.833 ( -4.052 -5.637 -11.117) 13.107 7.022 ( 4.390 -1.917 5.151) 7.035 7.048 ( 5.147 -2.034 4.079) 6.875 7.148 ( -7.630 -0.202 -0.253) 7.637 7.235 ( -10.113 -2.798 -4.436) 11.392 7.565 ( 6.515 2.188 -0.659) 6.905 7.637 ( -4.764 4.607 1.889) 6.891 7.768 ( -0.854 6.698 -0.402) 6.764 7.831 ( 2.538 5.554 -11.567) 13.080 7.970 ( 2.991 5.819 4.566) 7.979 8.029 ( 3.148 0.132 -2.369) 3.942 8.205 ( 3.456 10.657 -0.742) 11.228 8.277 ( -6.774 7.510 -0.606) 10.132 8.479 ( 3.952 -0.978 3.108) 5.122 8.554 ( -0.684 -5.806 -2.818) 6.490 8.746 ( 5.274 2.207 2.594) 6.278 8.850 ( -3.879 3.163 -2.587) 5.634 8.951 ( 0.974 -11.514 1.130) 11.610 8.975 ( -2.244 -10.972 0.276) 11.203 9.311 ( 1.798 0.780 2.750) 3.377 9.341 ( 2.537 -3.582 -1.211) 4.554 9.467 ( 4.423 0.217 1.150) 4.575 9.489 ( 4.957 -3.664 -0.354) 6.175 9.632 ( 1.102 3.132 -0.691) 3.391 9.676 ( -8.036 -0.431 3.442) 8.753 9.898 ( 13.085 0.250 -2.385) 13.303 10.080 ( -14.843 0.599 3.807) 15.335 10.118 ( 0.862 -2.912 1.220) 3.273 10.148 ( -1.849 -0.742 -0.009) 1.992 10.598 ( 8.456 -3.229 -1.914) 9.251 10.657 ( -4.538 -3.945 3.279) 6.849 10.738 ( 0.789 -1.690 1.495) 2.390 10.848 ( -7.590 -5.768 -2.029) 9.747 11.186 ( 4.141 3.241 2.214) 5.706 11.282 ( -3.392 0.908 -3.770) 5.153 11.556 ( 3.169 -2.131 0.749) 3.891 11.613 ( -4.804 -2.808 0.913) 5.639 12.366 ( 3.867 7.380 -2.115) 8.596 12.384 ( -2.759 7.809 1.823) 8.480 12.630 ( -5.543 -1.657 6.366) 8.602 12.653 ( 4.206 -4.912 -6.309) 9.034 13.017 ( 0.553 -1.093 2.412) 2.706 13.056 ( 0.058 -0.758 -2.322) 2.444 13.175 ( 2.690 -5.151 0.396) 5.824 13.225 ( -4.860 -5.629 1.149) 7.525 15.187 ( 11.145 8.537 5.017) 14.909 15.427 ( -14.988 6.490 -2.926) 16.593 15.662 ( 4.779 -14.716 2.352) 15.651 15.777 ( -7.395 -11.311 -2.174) 13.687 16.204 ( 0.912 0.179 2.204) 2.392 16.218 ( 1.159 -0.429 -0.267) 1.264 17.161 ( 9.025 11.663 -0.428) 14.753 17.282 ( -7.745 6.864 -0.648) 10.369 17.391 ( 5.756 8.823 -2.036) 10.729 17.457 ( -6.233 12.304 0.383) 13.798 18.107 ( 14.401 -13.898 2.113) 20.125 18.321 ( -13.571 -17.285 -0.387) 21.979 21.475 ( 0.700 1.565 -0.450) 1.773 21.486 ( -0.227 1.097 -0.970) 1.482 21.598 ( 1.837 1.133 -0.510) 2.218 21.621 ( -1.651 0.248 -0.048) 1.670 21.773 ( 2.884 2.488 1.305) 4.027 21.820 ( -1.118 0.614 -1.231) 1.773 22.163 ( 0.286 -5.871 1.057) 5.972 22.192 ( -2.166 -6.989 -0.490) 7.333 22.438 ( 0.600 0.068 3.360) 3.414 22.446 ( -0.015 -0.276 2.982) 2.995 23.144 ( 3.440 6.854 -1.951) 7.913 23.200 ( -2.571 4.357 -3.594) 6.206 ======================= Grid point 219 (108/112) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.955 ( 0.000 0.000 -0.000) 0.000 1.955 ( -0.000 0.000 0.000) 0.000 2.025 ( 0.000 -0.000 -0.000) 0.000 2.025 ( -0.000 0.000 0.000) 0.000 2.251 ( -0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.493 ( -0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.574 ( 0.000 -0.000 0.000) 0.000 2.574 ( -0.000 0.000 0.000) 0.000 2.911 ( -0.000 -0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.015 ( 0.000 0.000 0.000) 0.000 3.015 ( -0.000 0.000 0.000) 0.000 3.191 ( -0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.465 ( -0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.701 ( -0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 4.100 ( -0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 -0.000) 0.000 4.125 ( -0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.559 ( 0.000 0.000 0.000) 0.000 4.559 ( -0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 -0.000 0.000) 0.000 4.923 ( -0.000 -0.000 -0.000) 0.000 4.923 ( -0.000 0.000 0.000) 0.000 5.073 ( -0.000 -0.000 -0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.301 ( -0.000 0.000 0.000) 0.000 5.301 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 -0.000 0.000) 0.000 5.550 ( -0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 6.075 ( -0.000 -0.000 -0.000) 0.000 6.075 ( -0.000 0.000 0.000) 0.000 6.090 ( -0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 -0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.556 ( -0.000 -0.000 0.000) 0.000 6.556 ( -0.000 0.000 0.000) 0.000 6.723 ( -0.000 0.000 0.000) 0.000 6.723 ( 0.000 0.000 0.000) 0.000 7.187 ( -0.000 0.000 0.000) 0.000 7.187 ( -0.000 0.000 0.000) 0.000 7.561 ( -0.000 0.000 0.000) 0.000 7.561 ( 0.000 0.000 0.000) 0.000 7.750 ( -0.000 0.000 0.000) 0.000 7.750 ( 0.000 0.000 0.000) 0.000 8.027 ( -0.000 0.000 0.000) 0.000 8.027 ( -0.000 0.000 0.000) 0.000 8.088 ( 0.000 -0.000 -0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.358 ( 0.000 0.000 0.000) 0.000 8.641 ( -0.000 0.000 -0.000) 0.000 8.641 ( -0.000 0.000 0.000) 0.000 8.663 ( 0.000 -0.000 -0.000) 0.000 8.663 ( 0.000 0.000 0.000) 0.000 8.821 ( -0.000 0.000 -0.000) 0.000 8.821 ( -0.000 0.000 0.000) 0.000 8.963 ( 0.000 -0.000 0.000) 0.000 8.963 ( -0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 -0.000) 0.000 9.453 ( -0.000 0.000 0.000) 0.000 9.465 ( -0.000 -0.000 0.000) 0.000 9.465 ( 0.000 0.000 0.000) 0.000 9.976 ( 0.000 0.000 -0.000) 0.000 9.976 ( 0.000 0.000 0.000) 0.000 10.130 ( -0.000 0.000 0.000) 0.000 10.130 ( -0.000 0.000 0.000) 0.000 10.620 ( 0.000 0.000 0.000) 0.000 10.620 ( -0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 11.311 ( 0.000 0.000 0.000) 0.000 11.311 ( -0.000 0.000 0.000) 0.000 11.619 ( 0.000 0.000 0.000) 0.000 11.619 ( -0.000 0.000 0.000) 0.000 12.436 ( 0.000 0.000 -0.000) 0.000 12.436 ( -0.000 0.000 0.000) 0.000 12.602 ( 0.000 -0.000 -0.000) 0.000 12.602 ( -0.000 0.000 0.000) 0.000 13.055 ( -0.000 -0.000 -0.000) 0.000 13.055 ( 0.000 -0.000 0.000) 0.000 13.056 ( 0.000 -0.000 -0.000) 0.000 13.056 ( 0.000 0.000 0.000) 0.000 15.288 ( -0.000 0.000 0.000) 0.000 15.288 ( 0.000 0.000 0.000) 0.000 15.531 ( -0.000 -0.000 -0.000) 0.000 15.531 ( 0.000 0.000 0.000) 0.000 16.423 ( -0.000 0.000 0.000) 0.000 16.423 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 17.293 ( 0.000 0.000 0.000) 0.000 17.550 ( 0.000 0.000 0.000) 0.000 17.550 ( -0.000 0.000 0.000) 0.000 17.975 ( -0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 21.470 ( 0.000 0.000 0.000) 0.000 21.470 ( -0.000 0.000 0.000) 0.000 21.623 ( -0.000 0.000 0.000) 0.000 21.623 ( 0.000 0.000 0.000) 0.000 21.801 ( 0.000 0.000 0.000) 0.000 21.801 ( 0.000 0.000 0.000) 0.000 22.161 ( 0.000 -0.000 -0.000) 0.000 22.161 ( -0.000 0.000 0.000) 0.000 22.389 ( 0.000 0.000 0.000) 0.000 22.389 ( 0.000 0.000 0.000) 0.000 23.253 ( 0.000 0.000 0.000) 0.000 23.253 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 223 (109/112) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -3.037 -3.526 -0.443) 4.675 1.713 ( -3.037 3.526 -0.443) 4.675 1.804 ( -14.760 -12.237 2.711) 19.364 1.804 ( -14.760 12.237 2.711) 19.364 2.054 ( 6.649 -4.378 -8.138) 11.384 2.054 ( 6.649 4.378 -8.138) 11.384 2.245 ( -7.205 -3.792 5.386) 9.762 2.245 ( -7.205 3.792 5.386) 9.762 2.529 ( -1.949 -5.441 5.065) 7.685 2.529 ( -1.949 5.441 5.065) 7.685 2.591 ( -4.289 -9.478 7.351) 12.738 2.591 ( -4.289 9.478 7.351) 12.738 2.885 ( 1.088 -5.636 0.414) 5.755 2.885 ( 1.088 5.636 0.414) 5.755 3.121 ( -3.156 -2.257 3.896) 5.498 3.121 ( -3.156 2.257 3.896) 5.498 3.211 ( 3.985 -5.865 7.376) 10.232 3.211 ( 3.985 5.865 7.376) 10.232 3.461 ( -3.457 -3.855 2.734) 5.855 3.461 ( -3.457 3.855 2.734) 5.855 3.653 ( -4.875 -2.015 -0.323) 5.285 3.653 ( -4.875 2.015 -0.323) 5.285 3.915 ( -14.051 -1.922 0.785) 14.204 3.915 ( -14.051 1.922 0.785) 14.204 4.273 ( 10.885 -10.209 -14.719) 20.961 4.273 ( 10.885 10.209 -14.719) 20.961 4.422 ( 15.408 -5.131 -3.508) 16.615 4.422 ( 15.408 5.131 -3.508) 16.615 4.657 ( 8.383 -3.252 -0.136) 8.993 4.657 ( 8.383 3.252 -0.136) 8.993 4.839 ( 0.151 -0.148 1.047) 1.068 4.839 ( 0.151 0.148 1.047) 1.068 4.964 ( 6.028 -5.489 -2.619) 8.563 4.964 ( 6.028 5.489 -2.619) 8.563 5.158 ( 0.764 -13.218 7.872) 15.403 5.158 ( 0.764 13.218 7.872) 15.403 5.292 ( 1.310 -1.472 -1.617) 2.549 5.292 ( 1.310 1.472 -1.617) 2.549 5.507 ( -2.407 -7.693 -1.849) 8.270 5.507 ( -2.407 7.693 -1.849) 8.270 5.698 ( 3.976 -1.976 -4.792) 6.532 5.698 ( 3.976 1.976 -4.792) 6.532 6.020 ( -0.629 -8.569 -3.112) 9.138 6.020 ( -0.629 8.569 -3.112) 9.138 6.116 ( -0.837 -1.368 0.147) 1.610 6.116 ( -0.837 1.368 0.147) 1.610 6.426 ( -4.242 -4.581 1.108) 6.341 6.426 ( -4.242 4.581 1.108) 6.341 6.556 ( -0.051 -2.031 2.214) 3.005 6.556 ( -0.051 2.031 2.214) 3.005 6.731 ( -0.194 -2.073 1.337) 2.474 6.731 ( -0.194 2.073 1.337) 2.474 7.216 ( 0.352 -1.348 3.226) 3.514 7.216 ( 0.352 1.348 3.226) 3.514 7.527 ( 3.271 -3.568 -9.113) 10.319 7.527 ( 3.271 3.568 -9.113) 10.319 7.699 ( -5.337 -3.916 0.392) 6.631 7.699 ( -5.337 3.916 0.392) 6.631 8.030 ( -0.570 -2.317 -3.059) 3.880 8.030 ( -0.570 2.317 -3.059) 3.880 8.081 ( 5.906 -1.265 -6.906) 9.174 8.081 ( 5.906 1.265 -6.906) 9.174 8.339 ( -1.751 -2.967 1.049) 3.601 8.339 ( -1.751 2.967 1.049) 3.601 8.516 ( -0.649 -4.416 -8.994) 10.040 8.516 ( -0.649 4.416 -8.994) 10.040 8.667 ( 3.130 -9.738 -2.961) 10.648 8.667 ( 3.130 9.738 -2.961) 10.648 8.880 ( -2.298 -9.205 7.591) 12.150 8.880 ( -2.298 9.205 7.591) 12.150 9.046 ( 4.384 -3.698 4.185) 7.100 9.046 ( 4.384 3.698 4.185) 7.100 9.415 ( -4.517 -2.829 1.154) 5.453 9.415 ( -4.517 2.829 1.154) 5.453 9.521 ( 3.810 -5.538 2.517) 7.177 9.521 ( 3.810 5.538 2.517) 7.177 9.953 ( 0.984 -5.359 -4.989) 7.388 9.953 ( 0.984 5.359 -4.989) 7.388 10.125 ( -5.489 -1.282 6.072) 8.285 10.125 ( -5.489 1.282 6.072) 8.285 10.575 ( -1.920 -9.561 -2.194) 9.996 10.575 ( -1.920 9.561 -2.194) 9.996 10.838 ( 2.345 -2.174 4.536) 5.550 10.838 ( 2.345 2.174 4.536) 5.550 11.285 ( 1.198 -1.861 -4.563) 5.071 11.285 ( 1.198 1.861 -4.563) 5.071 11.621 ( -3.640 -1.820 3.752) 5.536 11.621 ( -3.640 1.820 3.752) 5.536 12.437 ( 4.259 -6.757 -3.789) 8.841 12.437 ( 4.259 6.757 -3.789) 8.841 12.623 ( -2.618 -7.542 4.566) 9.197 12.623 ( -2.618 7.542 4.566) 9.197 12.957 ( -2.799 -6.422 -2.730) 7.518 12.957 ( -2.799 6.422 -2.730) 7.518 13.148 ( 0.921 -4.778 4.442) 6.589 13.148 ( 0.921 4.778 4.442) 6.589 15.246 ( -1.501 -11.574 -2.405) 11.916 15.246 ( -1.501 11.574 -2.405) 11.916 15.620 ( 1.585 -5.780 9.075) 10.876 15.620 ( 1.585 5.780 9.075) 10.876 16.371 ( -5.331 -0.828 -1.995) 5.752 16.371 ( -5.331 0.828 -1.995) 5.752 17.284 ( 3.006 -3.599 -4.313) 6.371 17.284 ( 3.006 3.599 -4.313) 6.371 17.518 ( -0.279 -8.886 -2.837) 9.332 17.518 ( -0.279 8.886 -2.837) 9.332 18.028 ( 0.447 -15.054 5.747) 16.120 18.028 ( 0.447 15.054 5.747) 16.120 21.477 ( 1.305 -0.063 -0.289) 1.338 21.477 ( 1.305 0.063 -0.289) 1.338 21.622 ( 0.359 -0.479 -0.568) 0.825 21.622 ( 0.359 0.479 -0.568) 0.825 21.796 ( 0.718 -1.635 -1.392) 2.264 21.796 ( 0.718 1.635 -1.392) 2.264 22.185 ( -0.027 -0.316 3.505) 3.520 22.185 ( -0.027 0.316 3.505) 3.520 22.344 ( -5.275 -1.033 -0.710) 5.422 22.344 ( -5.275 1.033 -0.710) 5.422 23.266 ( 3.527 -2.193 -1.999) 4.609 23.266 ( 3.527 2.193 -1.999) 4.609 ======================= Grid point 225 (110/112) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -9.841 -7.611 6.533) 14.052 1.658 ( -9.841 7.611 6.533) 14.052 1.749 ( -2.314 -1.946 7.373) 7.969 1.749 ( -2.314 1.946 7.373) 7.969 2.050 ( 4.425 -2.515 -1.238) 5.238 2.050 ( 4.425 2.515 -1.238) 5.238 2.198 ( -6.871 -3.906 3.084) 8.484 2.198 ( -6.871 3.906 3.084) 8.484 2.524 ( -9.726 -7.351 6.811) 13.965 2.524 ( -9.726 7.351 6.811) 13.965 2.667 ( -1.037 -1.280 7.895) 8.065 2.667 ( -1.037 1.280 7.895) 8.065 2.911 ( -3.677 -5.084 2.448) 6.735 2.911 ( -3.677 5.084 2.448) 6.735 3.095 ( -2.706 -1.426 2.722) 4.094 3.095 ( -2.706 1.426 2.722) 4.094 3.358 ( -4.728 -4.730 7.979) 10.411 3.358 ( -4.728 4.730 7.979) 10.411 3.459 ( -1.504 -4.606 4.272) 6.459 3.459 ( -1.504 4.606 4.272) 6.459 3.596 ( -5.859 -4.371 -0.177) 7.312 3.596 ( -5.859 4.371 -0.177) 7.312 3.776 ( -3.694 -5.759 1.501) 7.004 3.776 ( -3.694 5.759 1.501) 7.004 4.184 ( 12.833 -17.716 -17.914) 28.274 4.184 ( 12.833 17.716 -17.914) 28.274 4.574 ( 10.723 -5.311 -6.334) 13.539 4.574 ( 10.723 5.311 -6.334) 13.539 4.757 ( 8.777 -5.150 -3.281) 10.692 4.757 ( 8.777 5.150 -3.281) 10.692 4.871 ( 1.223 -2.971 -0.224) 3.221 4.871 ( 1.223 2.971 -0.224) 3.221 5.004 ( 7.042 -2.816 -5.154) 9.170 5.004 ( 7.042 2.816 -5.154) 9.170 5.199 ( -1.245 -7.142 -0.193) 7.252 5.199 ( -1.245 7.142 -0.193) 7.252 5.359 ( 4.756 -1.687 4.237) 6.589 5.359 ( 4.756 1.687 4.237) 6.589 5.470 ( 1.356 -5.397 -2.052) 5.931 5.470 ( 1.356 5.397 -2.052) 5.931 5.684 ( 4.454 -4.431 -4.787) 7.898 5.684 ( 4.454 4.431 -4.787) 7.898 5.974 ( -0.002 -9.957 -4.690) 11.006 5.974 ( -0.002 9.957 -4.690) 11.006 6.075 ( -0.831 -1.269 -1.141) 1.898 6.075 ( -0.831 1.269 -1.141) 1.898 6.391 ( -3.552 -1.764 3.403) 5.226 6.391 ( -3.552 1.764 3.403) 5.226 6.599 ( -4.129 -0.356 6.002) 7.293 6.599 ( -4.129 0.356 6.002) 7.293 6.748 ( -1.356 -3.040 3.223) 4.634 6.748 ( -1.356 3.040 3.223) 4.634 7.261 ( 0.658 -1.328 0.680) 1.631 7.261 ( 0.658 1.328 0.680) 1.631 7.369 ( -4.244 -5.054 -11.743) 13.471 7.369 ( -4.244 5.054 -11.743) 13.471 7.673 ( -1.129 -3.140 -0.050) 3.337 7.673 ( -1.129 3.140 -0.050) 3.337 7.899 ( 4.382 -1.036 -12.858) 13.623 7.899 ( 4.382 1.036 -12.858) 13.623 8.069 ( 3.485 -2.879 -6.422) 7.854 8.069 ( 3.485 2.879 -6.422) 7.854 8.365 ( 1.191 -6.066 1.032) 6.267 8.365 ( 1.191 6.066 1.032) 6.267 8.446 ( 1.654 -0.722 -1.249) 2.195 8.446 ( 1.654 0.722 -1.249) 2.195 8.702 ( 2.647 -11.707 0.873) 12.034 8.702 ( 2.647 11.707 0.873) 12.034 8.916 ( -2.869 -9.624 3.228) 10.549 8.916 ( -2.869 9.624 3.228) 10.549 9.154 ( 6.171 -4.062 1.355) 7.511 9.154 ( 6.171 4.062 1.355) 7.511 9.371 ( -4.213 -5.568 1.563) 7.155 9.371 ( -4.213 5.568 1.563) 7.155 9.629 ( 4.189 -8.923 4.581) 10.870 9.629 ( 4.189 8.923 4.581) 10.870 9.880 ( -1.201 -6.182 -4.256) 7.601 9.880 ( -1.201 6.182 -4.256) 7.601 10.153 ( -3.772 -2.796 6.602) 8.101 10.153 ( -3.772 2.796 6.602) 8.101 10.535 ( -1.467 -9.247 -0.144) 9.363 10.535 ( -1.467 9.247 -0.144) 9.363 10.901 ( -1.882 -1.510 3.152) 3.969 10.901 ( -1.882 1.510 3.152) 3.969 11.239 ( 2.551 -4.490 -5.138) 7.285 11.239 ( 2.551 4.490 -5.138) 7.285 11.616 ( -5.079 -3.079 4.069) 7.199 11.616 ( -5.079 3.079 4.069) 7.199 12.456 ( 6.450 -8.557 -4.217) 11.515 12.456 ( 6.450 8.557 -4.217) 11.515 12.621 ( -5.724 -8.645 3.291) 10.878 12.621 ( -5.724 8.645 3.291) 10.878 12.931 ( 0.303 -4.301 1.361) 4.522 12.931 ( 0.303 4.301 1.361) 4.522 13.191 ( -2.093 -3.915 3.021) 5.369 13.191 ( -2.093 3.915 3.021) 5.369 15.219 ( 0.608 -14.512 -0.096) 14.525 15.219 ( 0.608 14.512 -0.096) 14.525 15.760 ( -3.361 -5.869 11.036) 12.944 15.760 ( -3.361 5.869 11.036) 12.944 16.245 ( -5.338 -1.544 -4.193) 6.962 16.245 ( -5.338 1.544 -4.193) 6.962 17.267 ( 3.756 -8.085 -4.605) 10.034 17.267 ( 3.756 8.085 -4.605) 10.034 17.501 ( 3.986 -8.006 -2.961) 9.421 17.501 ( 3.986 8.006 -2.961) 9.421 18.093 ( -3.431 -19.347 5.499) 20.404 18.093 ( -3.431 19.347 5.499) 20.404 21.494 ( 2.075 -0.130 -0.889) 2.261 21.494 ( 2.075 0.130 -0.889) 2.261 21.618 ( 0.392 -0.904 -0.607) 1.157 21.618 ( 0.392 0.904 -0.607) 1.157 21.788 ( 1.395 -2.635 -1.625) 3.396 21.788 ( 1.395 2.635 -1.625) 3.396 22.239 ( -5.171 -0.996 1.848) 5.581 22.239 ( -5.171 0.996 1.848) 5.581 22.261 ( -1.196 -0.288 3.623) 3.826 22.261 ( -1.196 0.288 3.623) 3.826 23.281 ( 4.111 -3.557 -4.014) 6.757 23.281 ( 4.111 3.557 -4.014) 6.757 ======================= Grid point 227 (111/112) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 0.927 -8.407 7.376) 11.223 1.691 ( 0.927 8.407 7.376) 11.223 1.853 ( 0.460 -8.757 7.875) 11.786 1.853 ( 0.460 8.757 7.875) 11.786 2.138 ( 3.780 -6.528 -1.104) 7.624 2.138 ( 3.780 6.528 -1.104) 7.624 2.183 ( -1.359 -8.214 6.912) 10.821 2.183 ( -1.359 8.214 6.912) 10.821 2.472 ( -14.958 -10.412 12.088) 21.869 2.472 ( -14.958 10.412 12.088) 21.869 2.761 ( 2.569 -1.795 2.366) 3.927 2.761 ( 2.569 1.795 2.366) 3.927 2.842 ( -9.139 -2.765 5.449) 10.994 2.842 ( -9.139 2.765 5.449) 10.994 3.119 ( 2.227 -3.599 -0.629) 4.279 3.119 ( 2.227 3.599 -0.629) 4.279 3.336 ( -11.558 -2.196 8.263) 14.376 3.336 ( -11.558 2.196 8.263) 14.376 3.460 ( -5.230 -4.531 -5.021) 8.549 3.460 ( -5.230 4.531 -5.021) 8.549 3.525 ( 2.124 -3.893 3.105) 5.413 3.525 ( 2.124 3.893 3.105) 5.413 3.824 ( -1.102 -6.668 4.611) 8.182 3.824 ( -1.102 6.668 4.611) 8.182 4.178 ( 13.419 -15.280 -9.263) 22.346 4.178 ( 13.419 15.280 -9.263) 22.346 4.547 ( 5.798 -2.302 -13.771) 15.118 4.547 ( 5.798 2.302 -13.771) 15.118 4.738 ( 2.306 -4.016 -9.408) 10.486 4.738 ( 2.306 4.016 -9.408) 10.486 4.881 ( -2.815 -1.225 2.068) 3.702 4.881 ( -2.815 1.225 2.068) 3.702 4.967 ( 1.934 -8.806 -7.797) 11.920 4.967 ( 1.934 8.806 -7.797) 11.920 5.192 ( 3.085 -4.206 -1.509) 5.430 5.192 ( 3.085 4.206 -1.509) 5.430 5.430 ( -0.169 -2.259 -1.170) 2.550 5.430 ( -0.169 2.259 -1.170) 2.550 5.524 ( 5.469 -6.425 2.918) 8.928 5.524 ( 5.469 6.425 2.918) 8.928 5.701 ( 6.049 -5.569 -2.574) 8.615 5.701 ( 6.049 5.569 -2.574) 8.615 5.931 ( 0.191 -2.470 -0.724) 2.581 5.931 ( 0.191 2.470 -0.724) 2.581 6.098 ( 3.921 -3.588 0.494) 5.337 6.098 ( 3.921 3.588 0.494) 5.337 6.419 ( -0.136 -4.787 4.033) 6.261 6.419 ( -0.136 4.787 4.033) 6.261 6.582 ( -8.009 -4.751 4.645) 10.406 6.582 ( -8.009 4.751 4.645) 10.406 6.793 ( 1.697 -4.365 1.870) 5.042 6.793 ( 1.697 4.365 1.870) 5.042 7.084 ( -2.550 -0.757 -15.480) 15.707 7.084 ( -2.550 0.757 -15.480) 15.707 7.288 ( -8.192 -5.111 4.425) 10.622 7.288 ( -8.192 5.111 4.425) 10.622 7.617 ( -1.190 -5.593 -1.761) 5.984 7.617 ( -1.190 5.593 -1.761) 5.984 7.893 ( 11.171 -1.766 -8.840) 14.355 7.893 ( 11.171 1.766 -8.840) 14.355 8.019 ( -0.806 -2.672 -1.807) 3.325 8.019 ( -0.806 2.672 -1.807) 3.325 8.365 ( 1.792 -10.658 -2.650) 11.128 8.365 ( 1.792 10.658 -2.650) 11.128 8.499 ( 4.038 -3.980 0.492) 5.691 8.499 ( 4.038 3.980 0.492) 5.691 8.717 ( -4.469 -5.702 2.456) 7.649 8.717 ( -4.469 5.702 2.456) 7.649 8.918 ( -0.842 -4.916 1.530) 5.217 8.918 ( -0.842 4.916 1.530) 5.217 9.262 ( 8.098 -4.318 -1.349) 9.276 9.262 ( 8.098 4.318 -1.349) 9.276 9.360 ( 1.012 -5.279 2.008) 5.738 9.360 ( 1.012 5.279 2.008) 5.738 9.710 ( -3.721 -3.548 3.926) 6.469 9.710 ( -3.721 3.548 3.926) 6.469 9.859 ( 5.557 -8.840 -0.560) 10.457 9.859 ( 5.557 8.840 -0.560) 10.457 10.176 ( -3.635 -3.097 3.413) 5.870 10.176 ( -3.635 3.097 3.413) 5.870 10.536 ( 0.325 -6.068 1.536) 6.268 10.536 ( 0.325 6.068 1.536) 6.268 10.860 ( -7.139 -3.579 0.443) 7.999 10.860 ( -7.139 3.579 0.443) 7.999 11.232 ( 4.094 -6.110 -2.697) 7.834 11.232 ( 4.094 6.110 -2.697) 7.834 11.589 ( -5.037 -3.703 2.389) 6.692 11.589 ( -5.037 3.703 2.389) 6.692 12.491 ( 6.544 -7.936 -4.093) 11.071 12.491 ( 6.544 7.936 -4.093) 11.071 12.577 ( -5.795 -6.650 2.852) 9.270 12.577 ( -5.795 6.650 2.852) 9.270 12.978 ( 1.902 -2.633 2.413) 4.046 12.978 ( 1.902 2.633 2.413) 4.046 13.177 ( -4.069 -3.211 1.434) 5.379 13.177 ( -4.069 3.211 1.434) 5.379 15.267 ( 4.108 -14.061 2.425) 14.848 15.267 ( 4.108 14.061 2.425) 14.848 15.756 ( -12.416 -6.437 3.571) 14.434 15.756 ( -12.416 6.437 3.571) 14.434 16.178 ( 1.276 -1.341 -0.650) 1.961 16.178 ( 1.276 1.341 -0.650) 1.961 17.273 ( 4.954 -7.511 -3.401) 9.619 17.273 ( 4.954 7.511 -3.401) 9.619 17.544 ( 4.479 -9.330 0.290) 10.354 17.544 ( 4.479 9.330 0.290) 10.354 18.071 ( -6.245 -18.737 1.384) 19.799 18.071 ( -6.245 18.737 1.384) 19.799 21.501 ( 1.242 -0.457 -1.440) 1.955 21.501 ( 1.242 0.457 -1.440) 1.955 21.618 ( 0.489 -1.222 -0.452) 1.392 21.618 ( 0.489 1.222 -0.452) 1.392 21.795 ( 1.977 -2.829 -0.655) 3.513 21.795 ( 1.977 2.829 -0.655) 3.513 22.156 ( -4.786 -1.774 -0.392) 5.119 22.156 ( -4.786 1.774 -0.392) 5.119 22.356 ( 0.580 -0.436 7.127) 7.164 22.356 ( 0.580 0.436 7.127) 7.164 23.265 ( 2.520 -3.344 -5.027) 6.543 23.265 ( 2.520 3.344 -5.027) 6.543 ======================= Grid point 229 (112/112) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 9.630 -6.874 2.303) 12.054 1.847 ( 9.630 6.874 2.303) 12.054 1.941 ( -1.468 -10.568 4.211) 11.470 1.941 ( -1.468 10.568 4.211) 11.470 2.130 ( -1.795 -1.240 0.499) 2.237 2.130 ( -1.795 1.240 0.499) 2.237 2.191 ( -4.378 -6.108 -0.710) 7.549 2.191 ( -4.378 6.108 -0.710) 7.549 2.494 ( -5.037 -7.780 8.473) 12.557 2.494 ( -5.037 7.780 8.473) 12.557 2.741 ( -1.149 -4.244 0.197) 4.401 2.741 ( -1.149 4.244 0.197) 4.401 2.938 ( 3.135 -2.139 8.257) 9.087 2.938 ( 3.135 2.139 8.257) 9.087 3.106 ( 0.729 -0.748 -6.270) 6.357 3.106 ( 0.729 0.748 -6.270) 6.357 3.277 ( -7.973 -3.478 4.165) 9.644 3.277 ( -7.973 3.478 4.165) 9.644 3.350 ( -1.911 -2.781 -2.261) 4.061 3.350 ( -1.911 2.781 -2.261) 4.061 3.598 ( 1.556 -2.224 2.262) 3.533 3.598 ( 1.556 2.224 2.262) 3.533 3.882 ( -0.339 -3.637 7.013) 7.907 3.882 ( -0.339 3.637 7.013) 7.907 4.195 ( 2.904 -4.401 -9.644) 10.991 4.195 ( 2.904 4.401 -9.644) 10.991 4.448 ( 5.801 -6.239 -6.309) 10.601 4.448 ( 5.801 6.239 -6.309) 10.601 4.631 ( -1.545 -3.082 -5.755) 6.709 4.631 ( -1.545 3.082 -5.755) 6.709 4.772 ( -4.639 -5.579 -2.773) 7.768 4.772 ( -4.639 5.579 -2.773) 7.768 4.988 ( 1.270 -2.120 2.077) 3.228 4.988 ( 1.270 2.120 2.077) 3.228 5.235 ( 6.570 -2.977 -2.666) 7.690 5.235 ( 6.570 2.977 -2.666) 7.690 5.382 ( -4.602 -4.676 0.429) 6.575 5.382 ( -4.602 4.676 0.429) 6.575 5.596 ( 1.517 -4.237 0.509) 4.529 5.596 ( 1.517 4.237 0.509) 4.529 5.790 ( 6.450 -3.191 1.169) 7.291 5.790 ( 6.450 3.191 1.169) 7.291 5.903 ( -3.579 -2.193 -0.646) 4.247 5.903 ( -3.579 2.193 -0.646) 4.247 6.166 ( 2.979 -2.728 0.442) 4.064 6.166 ( 2.979 2.728 0.442) 4.064 6.481 ( 3.428 -3.947 0.225) 5.233 6.481 ( 3.428 3.947 0.225) 5.233 6.553 ( -4.170 -4.206 5.123) 7.831 6.553 ( -4.170 4.206 5.123) 7.831 6.744 ( -1.138 -3.957 -8.228) 9.200 6.744 ( -1.138 3.957 -8.228) 9.200 7.004 ( 3.899 -1.448 2.183) 4.698 7.004 ( 3.899 1.448 2.183) 4.698 7.176 ( -9.640 -2.586 -0.800) 10.013 7.176 ( -9.640 2.586 -0.800) 10.013 7.630 ( 1.679 -3.231 0.869) 3.743 7.630 ( 1.679 3.231 0.869) 3.743 7.875 ( 1.308 -2.370 -4.257) 5.045 7.875 ( 1.308 2.370 -4.257) 5.045 8.026 ( 1.723 -0.356 -0.134) 1.765 8.026 ( 1.723 0.356 -0.134) 1.765 8.359 ( 1.013 -5.105 -1.020) 5.304 8.359 ( 1.013 5.105 -1.020) 5.304 8.553 ( 4.372 -5.610 -0.958) 7.176 8.553 ( 4.372 5.610 -0.958) 7.176 8.663 ( -6.084 -5.559 1.677) 8.410 8.663 ( -6.084 5.559 1.677) 8.410 8.930 ( -0.023 -1.949 0.725) 2.079 8.930 ( -0.023 1.949 0.725) 2.079 9.294 ( 1.196 -0.736 -1.089) 1.777 9.294 ( 1.196 0.736 -1.089) 1.777 9.470 ( 7.437 -0.820 1.124) 7.566 9.470 ( 7.437 0.820 1.124) 7.566 9.658 ( -6.284 -1.275 1.242) 6.532 9.658 ( -6.284 1.275 1.242) 6.532 9.982 ( 8.960 -6.872 1.273) 11.363 9.982 ( 8.960 6.872 1.273) 11.363 10.129 ( -6.615 -1.339 0.135) 6.751 10.129 ( -6.615 1.339 0.135) 6.751 10.583 ( 2.734 -2.094 1.594) 3.794 10.583 ( 2.734 2.094 1.594) 3.794 10.753 ( -6.203 -2.985 -0.839) 6.935 10.753 ( -6.203 2.985 -0.839) 6.935 11.260 ( 2.385 -3.086 -0.646) 3.953 11.260 ( 2.385 3.086 -0.646) 3.953 11.553 ( -2.596 -2.083 0.697) 3.400 11.553 ( -2.596 2.083 0.697) 3.400 12.515 ( 3.341 -4.055 -2.586) 5.856 12.515 ( 3.341 4.055 -2.586) 5.856 12.551 ( -2.892 -3.267 2.094) 4.839 12.551 ( -2.892 3.267 2.094) 4.839 13.031 ( 1.923 -1.944 1.052) 2.930 13.031 ( 1.923 1.944 1.052) 2.930 13.134 ( -3.028 -2.091 0.320) 3.694 13.134 ( -3.028 2.091 0.320) 3.694 15.393 ( 7.968 -11.466 3.713) 14.448 15.393 ( 7.968 11.466 3.713) 14.448 15.579 ( -11.745 -8.283 -2.698) 14.623 15.579 ( -11.745 8.283 -2.698) 14.623 16.210 ( 1.054 -0.362 0.914) 1.441 16.210 ( 1.054 0.362 0.914) 1.441 17.297 ( 2.789 -2.788 -1.480) 4.212 17.297 ( 2.789 2.788 -1.480) 4.212 17.612 ( 2.002 -6.773 1.927) 7.321 17.612 ( 2.002 6.773 1.927) 7.321 17.991 ( -3.685 -10.173 -1.094) 10.875 17.991 ( -3.685 10.173 -1.094) 10.875 21.496 ( 0.309 -0.302 -0.677) 0.803 21.496 ( 0.309 0.302 -0.677) 0.803 21.617 ( 0.158 -0.597 -0.289) 0.682 21.617 ( 0.158 0.597 -0.289) 0.682 21.816 ( 1.163 -1.286 -0.000) 1.733 21.816 ( 1.163 1.286 -0.000) 1.733 22.108 ( -1.746 -0.825 -0.112) 1.934 22.108 ( -1.746 0.825 -0.112) 1.934 22.441 ( 0.331 -0.189 3.541) 3.561 22.441 ( 0.331 0.189 3.541) 3.561 23.229 ( 0.713 -1.395 -2.635) 3.066 23.229 ( 0.713 1.395 -2.635) 3.066 =================== 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 3/38880 10.0 198.934 195.763 137.384 0.000 -10.323 0.000 3/38880 20.0 30.244 47.210 25.108 0.000 -1.737 0.000 3/38880 30.0 13.047 21.112 11.732 0.000 -0.976 0.000 3/38880 40.0 7.878 12.499 7.395 0.000 -0.680 0.000 3/38880 50.0 5.554 8.597 5.345 0.000 -0.509 0.000 3/38880 60.0 4.272 6.471 4.177 0.000 -0.400 0.000 3/38880 70.0 3.472 5.165 3.433 0.000 -0.328 0.000 3/38880 80.0 2.931 4.294 2.922 0.000 -0.278 0.000 3/38880 90.0 2.542 3.676 2.550 0.000 -0.243 0.000 3/38880 100.0 2.249 3.218 2.268 0.000 -0.216 0.000 3/38880 110.0 2.021 2.865 2.045 0.000 -0.195 0.000 3/38880 120.0 1.838 2.586 1.866 0.000 -0.179 0.000 3/38880 130.0 1.689 2.359 1.717 0.000 -0.165 0.000 3/38880 140.0 1.563 2.172 1.592 0.000 -0.154 0.000 3/38880 150.0 1.456 2.014 1.485 0.000 -0.144 0.000 3/38880 160.0 1.364 1.879 1.392 0.000 -0.136 0.000 3/38880 170.0 1.284 1.763 1.311 0.000 -0.128 0.000 3/38880 180.0 1.213 1.661 1.240 0.000 -0.122 0.000 3/38880 190.0 1.150 1.571 1.176 0.000 -0.116 0.000 3/38880 200.0 1.094 1.491 1.118 0.000 -0.110 0.000 3/38880 210.0 1.043 1.420 1.067 0.000 -0.105 0.000 3/38880 220.0 0.997 1.355 1.020 0.000 -0.101 0.000 3/38880 230.0 0.955 1.297 0.977 0.000 -0.097 0.000 3/38880 240.0 0.916 1.243 0.937 0.000 -0.093 0.000 3/38880 250.0 0.881 1.194 0.901 0.000 -0.090 0.000 3/38880 260.0 0.848 1.150 0.868 0.000 -0.086 0.000 3/38880 270.0 0.818 1.108 0.837 0.000 -0.083 0.000 3/38880 280.0 0.790 1.070 0.808 0.000 -0.080 0.000 3/38880 290.0 0.763 1.034 0.781 0.000 -0.078 0.000 3/38880 300.0 0.739 1.000 0.756 0.000 -0.075 0.000 3/38880 310.0 0.716 0.969 0.733 0.000 -0.073 0.000 3/38880 320.0 0.694 0.940 0.711 0.000 -0.071 0.000 3/38880 330.0 0.674 0.912 0.690 0.000 -0.069 0.000 3/38880 340.0 0.655 0.886 0.670 0.000 -0.067 0.000 3/38880 350.0 0.637 0.862 0.652 0.000 -0.065 0.000 3/38880 360.0 0.620 0.839 0.634 0.000 -0.063 0.000 3/38880 370.0 0.604 0.817 0.618 0.000 -0.061 0.000 3/38880 380.0 0.588 0.796 0.602 0.000 -0.060 0.000 3/38880 390.0 0.574 0.777 0.587 0.000 -0.058 0.000 3/38880 400.0 0.560 0.758 0.573 0.000 -0.057 0.000 3/38880 410.0 0.547 0.740 0.560 0.000 -0.056 0.000 3/38880 420.0 0.534 0.723 0.547 0.000 -0.054 0.000 3/38880 430.0 0.522 0.707 0.534 0.000 -0.053 0.000 3/38880 440.0 0.510 0.691 0.523 0.000 -0.052 0.000 3/38880 450.0 0.499 0.676 0.511 0.000 -0.051 0.000 3/38880 460.0 0.489 0.662 0.500 0.000 -0.050 0.000 3/38880 470.0 0.479 0.648 0.490 0.000 -0.048 0.000 3/38880 480.0 0.469 0.635 0.480 0.000 -0.047 0.000 3/38880 490.0 0.460 0.623 0.471 0.000 -0.047 0.000 3/38880 500.0 0.451 0.611 0.461 0.000 -0.046 0.000 3/38880 510.0 0.442 0.599 0.453 0.000 -0.045 0.000 3/38880 520.0 0.434 0.588 0.444 0.000 -0.044 0.000 3/38880 530.0 0.426 0.577 0.436 0.000 -0.043 0.000 3/38880 540.0 0.418 0.567 0.428 0.000 -0.042 0.000 3/38880 550.0 0.411 0.557 0.420 0.000 -0.041 0.000 3/38880 560.0 0.403 0.547 0.413 0.000 -0.041 0.000 3/38880 570.0 0.396 0.538 0.406 0.000 -0.040 0.000 3/38880 580.0 0.390 0.529 0.399 0.000 -0.039 0.000 3/38880 590.0 0.383 0.520 0.393 0.000 -0.039 0.000 3/38880 600.0 0.377 0.511 0.386 0.000 -0.038 0.000 3/38880 610.0 0.371 0.503 0.380 0.000 -0.037 0.000 3/38880 620.0 0.365 0.495 0.374 0.000 -0.037 0.000 3/38880 630.0 0.359 0.488 0.368 0.000 -0.036 0.000 3/38880 640.0 0.354 0.480 0.362 0.000 -0.036 0.000 3/38880 650.0 0.349 0.473 0.357 0.000 -0.035 0.000 3/38880 660.0 0.343 0.466 0.352 0.000 -0.035 0.000 3/38880 670.0 0.338 0.459 0.347 0.000 -0.034 0.000 3/38880 680.0 0.333 0.452 0.342 0.000 -0.034 0.000 3/38880 690.0 0.329 0.446 0.337 0.000 -0.033 0.000 3/38880 700.0 0.324 0.440 0.332 0.000 -0.033 0.000 3/38880 710.0 0.320 0.434 0.327 0.000 -0.032 0.000 3/38880 720.0 0.315 0.428 0.323 0.000 -0.032 0.000 3/38880 730.0 0.311 0.422 0.318 0.000 -0.031 0.000 3/38880 740.0 0.307 0.416 0.314 0.000 -0.031 0.000 3/38880 750.0 0.303 0.411 0.310 0.000 -0.030 0.000 3/38880 760.0 0.299 0.406 0.306 0.000 -0.030 0.000 3/38880 770.0 0.295 0.401 0.302 0.000 -0.030 0.000 3/38880 780.0 0.291 0.395 0.298 0.000 -0.029 0.000 3/38880 790.0 0.288 0.391 0.295 0.000 -0.029 0.000 3/38880 800.0 0.284 0.386 0.291 0.000 -0.029 0.000 3/38880 810.0 0.281 0.381 0.287 0.000 -0.028 0.000 3/38880 820.0 0.277 0.376 0.284 0.000 -0.028 0.000 3/38880 830.0 0.274 0.372 0.281 0.000 -0.028 0.000 3/38880 840.0 0.271 0.368 0.277 0.000 -0.027 0.000 3/38880 850.0 0.268 0.363 0.274 0.000 -0.027 0.000 3/38880 860.0 0.264 0.359 0.271 0.000 -0.027 0.000 3/38880 870.0 0.261 0.355 0.268 0.000 -0.026 0.000 3/38880 880.0 0.259 0.351 0.265 0.000 -0.026 0.000 3/38880 890.0 0.256 0.347 0.262 0.000 -0.026 0.000 3/38880 900.0 0.253 0.343 0.259 0.000 -0.025 0.000 3/38880 910.0 0.250 0.340 0.256 0.000 -0.025 0.000 3/38880 920.0 0.247 0.336 0.253 0.000 -0.025 0.000 3/38880 930.0 0.245 0.333 0.251 0.000 -0.025 0.000 3/38880 940.0 0.242 0.329 0.248 0.000 -0.024 0.000 3/38880 950.0 0.240 0.326 0.246 0.000 -0.024 0.000 3/38880 960.0 0.237 0.322 0.243 0.000 -0.024 0.000 3/38880 970.0 0.235 0.319 0.241 0.000 -0.024 0.000 3/38880 980.0 0.232 0.316 0.238 0.000 -0.023 0.000 3/38880 990.0 0.230 0.313 0.236 0.000 -0.023 0.000 3/38880 1000.0 0.228 0.310 0.233 0.000 -0.023 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m966.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:51:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|