----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:21:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.214737717571492 -2.579462645000000 0.000000000000000 b 6.214737717571492 2.579462645000000 0.000000000000000 c -4.463325471964606 0.000000000000000 15.492353119466770 Atomic positions (fractional): *1 O 0.36383885273196 0.63616114726804 0.25000000000000 15.999 2 O 0.63616114726804 0.36383885273196 0.75000000000000 15.999 *3 O 0.54512041949447 0.31642305047402 0.04672609136388 15.999 4 O 0.68357694952598 0.45487958050553 0.45327390863612 15.999 5 O 0.45487958050553 0.68357694952598 0.95327390863612 15.999 6 O 0.31642305047402 0.54512041949447 0.54672609136388 15.999 *7 O 0.40771255610469 0.28800412473148 0.32793103008343 15.999 8 O 0.71199587526852 0.59228744389531 0.17206896991657 15.999 9 O 0.59228744389531 0.71199587526852 0.67206896991657 15.999 10 O 0.28800412473148 0.40771255610469 0.82793103008343 15.999 *11 O 0.31478314180519 0.18227069601914 0.13056984929026 15.999 12 O 0.81772930398086 0.68521685819481 0.36943015070974 15.999 *13 O 0.93942914477008 0.10885814259795 0.59948129147144 15.999 14 O 0.89114185740205 0.06057085522992 0.90051870852856 15.999 15 O 0.06057085522992 0.89114185740205 0.40051870852856 15.999 16 O 0.10885814259795 0.93942914477008 0.09948129147144 15.999 *17 O 0.16570288349424 0.25026645213143 0.94469759836820 15.999 18 O 0.74973354786857 0.83429711650576 0.55530240163180 15.999 19 O 0.83429711650576 0.74973354786857 0.05530240163180 15.999 20 O 0.25026645213143 0.16570288349424 0.44469759836820 15.999 21 O 0.18227069601914 0.31478314180519 0.63056984929026 15.999 22 O 0.68521685819482 0.81772930398086 0.86943015070974 15.999 *23 Te 0.65792509612498 0.09055969035641 0.12953177508757 127.600 24 Te 0.90944030964359 0.34207490387502 0.37046822491243 127.600 25 Te 0.34207490387502 0.90944030964359 0.87046822491243 127.600 26 Te 0.09055969035641 0.65792509612498 0.62953177508757 127.600 *27 Te 0.34864003139546 0.89956285800704 0.20285410571293 127.600 28 Te 0.10043714199296 0.65135996860454 0.29714589428707 127.600 29 Te 0.65135996860454 0.10043714199296 0.79714589428707 127.600 30 Te 0.89956285800704 0.34864003139546 0.70285410571293 127.600 *31 Sm 0.36409730012422 0.87280558870012 0.53722363567867 150.360 32 Sm 0.12719441129988 0.63590269987578 0.96277636432133 150.360 33 Sm 0.63590269987578 0.12719441129988 0.46277636432133 150.360 34 Sm 0.87280558870012 0.36409730012422 0.03722363567867 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.429475435142983 0.000000000000000 0.000000000000000 b 0.000000000000000 5.158925290000000 0.000000000000000 c -4.463325471964606 0.000000000000000 15.492353119466770 Atomic positions (fractional): *1 O 0.00000000000000 0.63616114726804 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.36383885273196 0.75000000000000 15.999 > 2 *3 O 0.93077173498425 0.38565131548978 0.04672609136388 15.999 > 3 4 O 0.06922826501575 0.38565131548978 0.45327390863612 15.999 > 4 5 O 0.06922826501575 0.61434868451022 0.95327390863612 15.999 > 5 6 O 0.93077173498425 0.61434868451022 0.54672609136388 15.999 > 6 *7 O 0.84785834041808 0.44014578431339 0.32793103008343 15.999 > 7 8 O 0.65214165958192 0.94014578431339 0.17206896991657 15.999 > 8 9 O 0.15214165958192 0.55985421568661 0.67206896991657 15.999 > 9 10 O 0.34785834041808 0.05985421568661 0.82793103008343 15.999 > 10 *11 O 0.74852691891216 0.43374377710698 0.13056984929026 15.999 > 11 12 O 0.75147308108784 0.93374377710698 0.36943015070974 15.999 > 12 *13 O 0.02414364368401 0.08471449891393 0.59948129147144 15.999 > 13 14 O 0.97585635631599 0.08471449891393 0.90051870852856 15.999 > 14 15 O 0.97585635631599 0.91528550108607 0.40051870852856 15.999 > 15 16 O 0.02414364368401 0.91528550108607 0.09948129147144 15.999 > 16 *17 O 0.20798466781284 0.04228178431860 0.94469759836820 15.999 > 17 18 O 0.79201533218716 0.04228178431860 0.55530240163180 15.999 > 18 19 O 0.79201533218716 0.95771821568140 0.05530240163180 15.999 > 19 20 O 0.20798466781284 0.95771821568140 0.44469759836820 15.999 > 20 21 O 0.24852691891216 0.06625622289302 0.63056984929026 15.999 > 21 22 O 0.25147308108784 0.56625622289302 0.86943015070974 15.999 > 22 23 O 0.50000000000000 0.13616114726804 0.25000000000000 15.999 > 1 24 O 0.50000000000000 0.86383885273196 0.75000000000000 15.999 > 2 25 O 0.43077173498425 0.88565131548978 0.04672609136388 15.999 > 3 26 O 0.56922826501575 0.88565131548978 0.45327390863612 15.999 > 4 27 O 0.56922826501575 0.11434868451022 0.95327390863612 15.999 > 5 28 O 0.43077173498425 0.11434868451022 0.54672609136388 15.999 > 6 29 O 0.34785834041808 0.94014578431339 0.32793103008343 15.999 > 7 30 O 0.15214165958192 0.44014578431339 0.17206896991657 15.999 > 8 31 O 0.65214165958192 0.05985421568661 0.67206896991657 15.999 > 9 32 O 0.84785834041808 0.55985421568661 0.82793103008343 15.999 > 10 33 O 0.24852691891216 0.93374377710698 0.13056984929026 15.999 > 11 34 O 0.25147308108784 0.43374377710698 0.36943015070974 15.999 > 12 35 O 0.52414364368401 0.58471449891393 0.59948129147144 15.999 > 13 36 O 0.47585635631599 0.58471449891393 0.90051870852856 15.999 > 14 37 O 0.47585635631599 0.41528550108607 0.40051870852856 15.999 > 15 38 O 0.52414364368401 0.41528550108607 0.09948129147144 15.999 > 16 39 O 0.70798466781284 0.54228178431860 0.94469759836820 15.999 > 17 40 O 0.29201533218716 0.54228178431860 0.55530240163180 15.999 > 18 41 O 0.29201533218716 0.45771821568140 0.05530240163180 15.999 > 19 42 O 0.70798466781284 0.45771821568140 0.44469759836820 15.999 > 20 43 O 0.74852691891216 0.56625622289302 0.63056984929026 15.999 > 21 44 O 0.75147308108784 0.06625622289302 0.86943015070974 15.999 > 22 *45 Te 0.87424239324070 0.21631729711572 0.12953177508757 127.600 > 23 46 Te 0.12575760675930 0.21631729711572 0.37046822491243 127.600 > 24 47 Te 0.12575760675930 0.78368270288428 0.87046822491243 127.600 > 25 48 Te 0.87424239324070 0.78368270288428 0.62953177508757 127.600 > 26 *49 Te 0.62410144470125 0.27546141330579 0.20285410571293 127.600 > 27 50 Te 0.87589855529875 0.77546141330579 0.29714589428707 127.600 > 28 51 Te 0.37589855529875 0.72453858669421 0.79714589428707 127.600 > 29 52 Te 0.12410144470125 0.22453858669421 0.70285410571293 127.600 > 30 53 Te 0.37424239324070 0.71631729711572 0.12953177508757 127.600 > 23 54 Te 0.62575760675930 0.71631729711572 0.37046822491243 127.600 > 24 55 Te 0.62575760675930 0.28368270288428 0.87046822491243 127.600 > 25 56 Te 0.37424239324070 0.28368270288428 0.62953177508757 127.600 > 26 57 Te 0.12410144470125 0.77546141330579 0.20285410571293 127.600 > 27 58 Te 0.37589855529875 0.27546141330579 0.29714589428707 127.600 > 28 59 Te 0.87589855529875 0.22453858669421 0.79714589428707 127.600 > 29 60 Te 0.62410144470125 0.72453858669421 0.70285410571293 127.600 > 30 *61 Sm 0.11845144441217 0.75435414428795 0.53722363567867 150.360 > 31 62 Sm 0.38154855558783 0.25435414428795 0.96277636432133 150.360 > 32 63 Sm 0.88154855558783 0.24564585571205 0.46277636432133 150.360 > 33 64 Sm 0.61845144441217 0.74564585571205 0.03722363567867 150.360 > 34 65 Sm 0.61845144441217 0.25435414428795 0.53722363567867 150.360 > 31 66 Sm 0.88154855558783 0.75435414428795 0.96277636432133 150.360 > 32 67 Sm 0.38154855558783 0.74564585571205 0.46277636432133 150.360 > 33 68 Sm 0.11845144441217 0.24564585571205 0.03722363567867 150.360 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.429475435142983 0.000000000000000 0.000000000000000 b 0.000000000000000 10.317850580000000 0.000000000000000 c -4.463325471964606 0.000000000000000 15.492353119466770 Atomic positions (fractional): *1 O 0.00000000000000 0.31808057363402 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.81808057363402 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.18191942636598 0.75000000000000 15.999 > 2 4 O 0.00000000000000 0.68191942636598 0.75000000000000 15.999 > 2 *5 O 0.93077173498425 0.19282565774489 0.04672609136388 15.999 > 3 6 O 0.93077173498425 0.69282565774489 0.04672609136388 15.999 > 3 7 O 0.06922826501575 0.19282565774489 0.45327390863612 15.999 > 4 8 O 0.06922826501575 0.69282565774489 0.45327390863612 15.999 > 4 9 O 0.06922826501575 0.30717434225511 0.95327390863612 15.999 > 5 10 O 0.06922826501575 0.80717434225511 0.95327390863612 15.999 > 5 11 O 0.93077173498425 0.30717434225511 0.54672609136388 15.999 > 6 12 O 0.93077173498425 0.80717434225511 0.54672609136388 15.999 > 6 *13 O 0.84785834041808 0.22007289215670 0.32793103008343 15.999 > 7 14 O 0.84785834041808 0.72007289215670 0.32793103008343 15.999 > 7 15 O 0.65214165958192 0.47007289215670 0.17206896991657 15.999 > 8 16 O 0.65214165958192 0.97007289215670 0.17206896991657 15.999 > 8 17 O 0.15214165958192 0.27992710784330 0.67206896991657 15.999 > 9 18 O 0.15214165958192 0.77992710784330 0.67206896991657 15.999 > 9 19 O 0.34785834041808 0.02992710784330 0.82793103008343 15.999 > 10 20 O 0.34785834041808 0.52992710784330 0.82793103008343 15.999 > 10 *21 O 0.74852691891216 0.21687188855349 0.13056984929026 15.999 > 11 22 O 0.74852691891216 0.71687188855349 0.13056984929026 15.999 > 11 23 O 0.75147308108784 0.46687188855349 0.36943015070974 15.999 > 12 24 O 0.75147308108784 0.96687188855349 0.36943015070974 15.999 > 12 *25 O 0.02414364368401 0.04235724945697 0.59948129147144 15.999 > 13 26 O 0.02414364368401 0.54235724945697 0.59948129147144 15.999 > 13 27 O 0.97585635631599 0.04235724945697 0.90051870852856 15.999 > 14 28 O 0.97585635631599 0.54235724945697 0.90051870852856 15.999 > 14 29 O 0.97585635631599 0.45764275054303 0.40051870852856 15.999 > 15 30 O 0.97585635631599 0.95764275054303 0.40051870852856 15.999 > 15 31 O 0.02414364368401 0.45764275054303 0.09948129147144 15.999 > 16 32 O 0.02414364368401 0.95764275054303 0.09948129147144 15.999 > 16 *33 O 0.20798466781284 0.02114089215930 0.94469759836820 15.999 > 17 34 O 0.20798466781284 0.52114089215930 0.94469759836820 15.999 > 17 35 O 0.79201533218716 0.02114089215930 0.55530240163180 15.999 > 18 36 O 0.79201533218716 0.52114089215930 0.55530240163180 15.999 > 18 37 O 0.79201533218716 0.47885910784070 0.05530240163180 15.999 > 19 38 O 0.79201533218716 0.97885910784070 0.05530240163180 15.999 > 19 39 O 0.20798466781284 0.47885910784070 0.44469759836820 15.999 > 20 40 O 0.20798466781284 0.97885910784070 0.44469759836820 15.999 > 20 41 O 0.24852691891216 0.03312811144651 0.63056984929026 15.999 > 21 42 O 0.24852691891216 0.53312811144651 0.63056984929026 15.999 > 21 43 O 0.25147308108784 0.28312811144651 0.86943015070974 15.999 > 22 44 O 0.25147308108784 0.78312811144651 0.86943015070974 15.999 > 22 45 O 0.50000000000000 0.06808057363402 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.56808057363402 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.43191942636598 0.75000000000000 15.999 > 2 48 O 0.50000000000000 0.93191942636598 0.75000000000000 15.999 > 2 49 O 0.43077173498425 0.44282565774489 0.04672609136388 15.999 > 3 50 O 0.43077173498425 0.94282565774489 0.04672609136388 15.999 > 3 51 O 0.56922826501575 0.44282565774489 0.45327390863612 15.999 > 4 52 O 0.56922826501575 0.94282565774489 0.45327390863612 15.999 > 4 53 O 0.56922826501575 0.05717434225511 0.95327390863612 15.999 > 5 54 O 0.56922826501575 0.55717434225511 0.95327390863612 15.999 > 5 55 O 0.43077173498425 0.05717434225511 0.54672609136388 15.999 > 6 56 O 0.43077173498425 0.55717434225511 0.54672609136388 15.999 > 6 57 O 0.34785834041808 0.47007289215670 0.32793103008343 15.999 > 7 58 O 0.34785834041808 0.97007289215670 0.32793103008343 15.999 > 7 59 O 0.15214165958192 0.22007289215670 0.17206896991657 15.999 > 8 60 O 0.15214165958192 0.72007289215670 0.17206896991657 15.999 > 8 61 O 0.65214165958192 0.02992710784330 0.67206896991657 15.999 > 9 62 O 0.65214165958192 0.52992710784330 0.67206896991657 15.999 > 9 63 O 0.84785834041808 0.27992710784330 0.82793103008343 15.999 > 10 64 O 0.84785834041808 0.77992710784330 0.82793103008343 15.999 > 10 65 O 0.24852691891216 0.46687188855349 0.13056984929026 15.999 > 11 66 O 0.24852691891216 0.96687188855349 0.13056984929026 15.999 > 11 67 O 0.25147308108784 0.21687188855349 0.36943015070974 15.999 > 12 68 O 0.25147308108784 0.71687188855349 0.36943015070974 15.999 > 12 69 O 0.52414364368401 0.29235724945697 0.59948129147144 15.999 > 13 70 O 0.52414364368401 0.79235724945697 0.59948129147144 15.999 > 13 71 O 0.47585635631599 0.29235724945697 0.90051870852856 15.999 > 14 72 O 0.47585635631599 0.79235724945697 0.90051870852856 15.999 > 14 73 O 0.47585635631599 0.20764275054303 0.40051870852856 15.999 > 15 74 O 0.47585635631599 0.70764275054303 0.40051870852856 15.999 > 15 75 O 0.52414364368401 0.20764275054303 0.09948129147144 15.999 > 16 76 O 0.52414364368401 0.70764275054303 0.09948129147144 15.999 > 16 77 O 0.70798466781284 0.27114089215930 0.94469759836820 15.999 > 17 78 O 0.70798466781284 0.77114089215930 0.94469759836820 15.999 > 17 79 O 0.29201533218716 0.27114089215930 0.55530240163180 15.999 > 18 80 O 0.29201533218716 0.77114089215930 0.55530240163180 15.999 > 18 81 O 0.29201533218716 0.22885910784070 0.05530240163180 15.999 > 19 82 O 0.29201533218716 0.72885910784070 0.05530240163180 15.999 > 19 83 O 0.70798466781284 0.22885910784070 0.44469759836820 15.999 > 20 84 O 0.70798466781284 0.72885910784070 0.44469759836820 15.999 > 20 85 O 0.74852691891216 0.28312811144651 0.63056984929026 15.999 > 21 86 O 0.74852691891216 0.78312811144651 0.63056984929026 15.999 > 21 87 O 0.75147308108784 0.03312811144651 0.86943015070974 15.999 > 22 88 O 0.75147308108784 0.53312811144651 0.86943015070974 15.999 > 22 *89 Te 0.87424239324070 0.10815864855786 0.12953177508757 127.600 > 23 90 Te 0.87424239324070 0.60815864855786 0.12953177508757 127.600 > 23 91 Te 0.12575760675930 0.10815864855786 0.37046822491243 127.600 > 24 92 Te 0.12575760675930 0.60815864855786 0.37046822491243 127.600 > 24 93 Te 0.12575760675930 0.39184135144214 0.87046822491243 127.600 > 25 94 Te 0.12575760675930 0.89184135144214 0.87046822491243 127.600 > 25 95 Te 0.87424239324070 0.39184135144214 0.62953177508757 127.600 > 26 96 Te 0.87424239324070 0.89184135144214 0.62953177508757 127.600 > 26 *97 Te 0.62410144470125 0.13773070665290 0.20285410571293 127.600 > 27 98 Te 0.62410144470125 0.63773070665290 0.20285410571293 127.600 > 27 99 Te 0.87589855529875 0.38773070665290 0.29714589428707 127.600 > 28 100 Te 0.87589855529875 0.88773070665290 0.29714589428707 127.600 > 28 101 Te 0.37589855529875 0.36226929334710 0.79714589428707 127.600 > 29 102 Te 0.37589855529875 0.86226929334710 0.79714589428707 127.600 > 29 103 Te 0.12410144470125 0.11226929334710 0.70285410571293 127.600 > 30 104 Te 0.12410144470125 0.61226929334710 0.70285410571293 127.600 > 30 105 Te 0.37424239324070 0.35815864855786 0.12953177508757 127.600 > 23 106 Te 0.37424239324070 0.85815864855786 0.12953177508757 127.600 > 23 107 Te 0.62575760675930 0.35815864855786 0.37046822491243 127.600 > 24 108 Te 0.62575760675930 0.85815864855786 0.37046822491243 127.600 > 24 109 Te 0.62575760675930 0.14184135144214 0.87046822491243 127.600 > 25 110 Te 0.62575760675930 0.64184135144214 0.87046822491243 127.600 > 25 111 Te 0.37424239324070 0.14184135144214 0.62953177508757 127.600 > 26 112 Te 0.37424239324070 0.64184135144214 0.62953177508757 127.600 > 26 113 Te 0.12410144470125 0.38773070665290 0.20285410571293 127.600 > 27 114 Te 0.12410144470125 0.88773070665290 0.20285410571293 127.600 > 27 115 Te 0.37589855529875 0.13773070665290 0.29714589428707 127.600 > 28 116 Te 0.37589855529875 0.63773070665290 0.29714589428707 127.600 > 28 117 Te 0.87589855529875 0.11226929334710 0.79714589428707 127.600 > 29 118 Te 0.87589855529875 0.61226929334710 0.79714589428707 127.600 > 29 119 Te 0.62410144470125 0.36226929334710 0.70285410571293 127.600 > 30 120 Te 0.62410144470125 0.86226929334710 0.70285410571293 127.600 > 30 *121 Sm 0.11845144441217 0.37717707214398 0.53722363567867 150.360 > 31 122 Sm 0.11845144441217 0.87717707214398 0.53722363567867 150.360 > 31 123 Sm 0.38154855558783 0.12717707214398 0.96277636432133 150.360 > 32 124 Sm 0.38154855558783 0.62717707214398 0.96277636432133 150.360 > 32 125 Sm 0.88154855558783 0.12282292785602 0.46277636432133 150.360 > 33 126 Sm 0.88154855558783 0.62282292785602 0.46277636432133 150.360 > 33 127 Sm 0.61845144441217 0.37282292785602 0.03722363567867 150.360 > 34 128 Sm 0.61845144441217 0.87282292785602 0.03722363567867 150.360 > 34 129 Sm 0.61845144441217 0.12717707214398 0.53722363567867 150.360 > 31 130 Sm 0.61845144441217 0.62717707214398 0.53722363567867 150.360 > 31 131 Sm 0.88154855558783 0.37717707214398 0.96277636432133 150.360 > 32 132 Sm 0.88154855558783 0.87717707214398 0.96277636432133 150.360 > 32 133 Sm 0.38154855558783 0.37282292785602 0.46277636432133 150.360 > 33 134 Sm 0.38154855558783 0.87282292785602 0.46277636432133 150.360 > 33 135 Sm 0.11845144441217 0.12282292785602 0.03722363567867 150.360 > 34 136 Sm 0.11845144441217 0.62282292785602 0.03722363567867 150.360 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4269802 0.0000000 -0.5365171 0.0000000 4.8877563 0.0000000 -0.5365151 0.0000000 4.6449904 -------------------------- Born effective charges -------------------------- 1 O -4.5099510 0.0000000 0.9343185 0.0000000 -1.7000172 0.0000000 1.6887919 0.0000000 -1.6693996 2 O -4.5099510 0.0000000 0.9343185 0.0000000 -1.7000172 0.0000000 1.6887919 0.0000000 -1.6693996 3 O -2.3847317 -0.3005758 0.9676928 -0.4069434 -2.1519373 1.0600348 0.5443949 0.9072331 -2.2075611 4 O -2.3847317 0.3005758 0.9676928 0.4069434 -2.1519373 -1.0600348 0.5443949 -0.9072331 -2.2075611 5 O -2.3847317 -0.3005758 0.9676928 -0.4069434 -2.1519373 1.0600348 0.5443949 0.9072331 -2.2075611 6 O -2.3847317 0.3005758 0.9676928 0.4069434 -2.1519373 -1.0600348 0.5443949 -0.9072331 -2.2075611 7 O -1.6936612 -0.7453388 0.3870856 -0.3353022 -2.6993551 0.8600706 0.1083618 0.4858839 -1.9475531 8 O -1.6936612 0.7453388 0.3870856 0.3353022 -2.6993551 -0.8600706 0.1083618 -0.4858839 -1.9475531 9 O -1.6936612 -0.7453388 0.3870856 -0.3353022 -2.6993551 0.8600706 0.1083618 0.4858839 -1.9475531 10 O -1.6936612 0.7453388 0.3870856 0.3353022 -2.6993551 -0.8600706 0.1083618 -0.4858839 -1.9475531 11 O -3.7894485 0.7687129 0.3587335 0.9932402 -1.9883954 0.3017358 0.7273181 -0.0114093 -1.6392776 12 O -3.7894485 -0.7687129 0.3587335 -0.9932402 -1.9883954 -0.3017358 0.7273181 0.0114093 -1.6392776 13 O -2.3276388 -0.4029282 -0.3654814 -0.4397037 -1.9896993 -0.7309062 -0.3905403 -0.5150321 -2.6315264 14 O -2.3276388 0.4029282 -0.3654814 0.4397037 -1.9896993 0.7309062 -0.3905403 0.5150321 -2.6315264 15 O -2.3276388 -0.4029282 -0.3654814 -0.4397037 -1.9896993 -0.7309062 -0.3905403 -0.5150321 -2.6315264 16 O -2.3276388 0.4029282 -0.3654814 0.4397037 -1.9896993 0.7309062 -0.3905403 0.5150321 -2.6315264 17 O -2.1199617 -0.3544289 -0.0410992 -0.3679246 -2.3632980 -1.2884959 -0.1080745 -0.8959104 -2.0582034 18 O -2.1199617 0.3544289 -0.0410992 0.3679246 -2.3632980 1.2884959 -0.1080745 0.8959104 -2.0582034 19 O -2.1199617 -0.3544289 -0.0410992 -0.3679246 -2.3632980 -1.2884959 -0.1080745 -0.8959104 -2.0582034 20 O -2.1199617 0.3544289 -0.0410992 0.3679246 -2.3632980 1.2884959 -0.1080745 0.8959104 -2.0582034 21 O -3.7894485 -0.7687129 0.3587335 -0.9932402 -1.9883954 -0.3017358 0.7273181 0.0114093 -1.6392776 22 O -3.7894485 0.7687129 0.3587335 0.9932402 -1.9883954 0.3017358 0.7273181 -0.0114093 -1.6392776 23 Te 4.7763998 -0.9108528 -0.3709379 -0.4392281 4.0296454 0.6369616 -0.4107376 0.6517813 2.9961054 24 Te 4.7763998 0.9108528 -0.3709379 0.4392281 4.0296454 -0.6369616 -0.4107376 -0.6517813 2.9961054 25 Te 4.7763998 -0.9108528 -0.3709379 -0.4392281 4.0296454 0.6369616 -0.4107376 0.6517813 2.9961054 26 Te 4.7763998 0.9108528 -0.3709379 0.4392281 4.0296454 -0.6369616 -0.4107376 -0.6517813 2.9961054 27 Te 5.6953916 0.7500977 -0.9632533 0.1117952 3.4835171 -0.7075286 -1.0333427 -0.9606382 3.6476451 28 Te 5.6953916 -0.7500977 -0.9632533 -0.1117952 3.4835171 0.7075286 -1.0333427 0.9606382 3.6476451 29 Te 5.6953916 0.7500977 -0.9632533 0.1117952 3.4835171 -0.7075286 -1.0333427 -0.9606382 3.6476451 30 Te 5.6953916 -0.7500977 -0.9632533 -0.1117952 3.4835171 0.7075286 -1.0333427 0.9606382 3.6476451 31 Sm 4.0986260 -0.1058854 -0.4398994 -0.0162006 4.5295313 -0.2250621 -0.2817756 0.0879236 4.6750710 32 Sm 4.0986260 0.1058854 -0.4398994 0.0162006 4.5295313 0.2250621 -0.2817756 -0.0879236 4.6750710 33 Sm 4.0986260 -0.1058854 -0.4398994 -0.0162006 4.5295313 -0.2250621 -0.2817756 0.0879236 4.6750710 34 Sm 4.0986260 0.1058854 -0.4398994 0.0162006 4.5295313 0.2250621 -0.2817756 -0.0879236 4.6750710 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1152 / 1152 (1) 140 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1152 / 1152 (1) 140 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 126 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 5), data: (631, 14) @ (14, 5) |-- (131, 126), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 140), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 235), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 140), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 235), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 1040 - Time: 3.521 Solver_block: 200 / 1040 - Time: 3.657 Solver_block: 300 / 1040 - Time: 3.150 Solver_block: 400 / 1040 - Time: 3.690 Solver_block: 500 / 1040 - Time: 3.060 Solver_block: 600 / 1040 - Time: 3.263 Solver_block: 700 / 1040 - Time: 3.645 Solver_block: 800 / 1040 - Time: 2.938 Solver_block: 900 / 1040 - Time: 3.754 Solver_block: 1000 / 1040 - Time: 3.195 Solver_block: 1040 / 1040 - Time: 1.554 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 36.731 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1152 / 1152 (1) 140 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1152 / 1152 (1) 140 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 28 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 126 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 5 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 5), data: (631, 14) @ (14, 5) |-- (131, 126), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 140), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 235), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 28), data: (1152, 44) @ (44, 28) |-- (152, 140), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 235), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 19:23:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:23:32]------------------------- 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: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.214737717571492 -2.579462645000000 0.000000000000000 b 6.214737717571492 2.579462645000000 0.000000000000000 c -4.463325471964606 0.000000000000000 15.492353119466770 Atomic positions (fractional): 1 O 0.36383885273196 0.63616114726804 0.25000000000000 15.999 2 O 0.63616114726804 0.36383885273196 0.75000000000000 15.999 3 O 0.54512041949447 0.31642305047402 0.04672609136388 15.999 4 O 0.68357694952598 0.45487958050553 0.45327390863612 15.999 5 O 0.45487958050553 0.68357694952598 0.95327390863612 15.999 6 O 0.31642305047402 0.54512041949447 0.54672609136388 15.999 7 O 0.40771255610469 0.28800412473148 0.32793103008343 15.999 8 O 0.71199587526852 0.59228744389531 0.17206896991657 15.999 9 O 0.59228744389531 0.71199587526852 0.67206896991657 15.999 10 O 0.28800412473148 0.40771255610469 0.82793103008343 15.999 11 O 0.31478314180519 0.18227069601914 0.13056984929026 15.999 12 O 0.81772930398086 0.68521685819481 0.36943015070974 15.999 13 O 0.93942914477008 0.10885814259795 0.59948129147144 15.999 14 O 0.89114185740205 0.06057085522992 0.90051870852856 15.999 15 O 0.06057085522992 0.89114185740205 0.40051870852856 15.999 16 O 0.10885814259795 0.93942914477008 0.09948129147144 15.999 17 O 0.16570288349424 0.25026645213143 0.94469759836820 15.999 18 O 0.74973354786857 0.83429711650576 0.55530240163180 15.999 19 O 0.83429711650576 0.74973354786857 0.05530240163180 15.999 20 O 0.25026645213143 0.16570288349424 0.44469759836820 15.999 21 O 0.18227069601914 0.31478314180519 0.63056984929026 15.999 22 O 0.68521685819482 0.81772930398086 0.86943015070974 15.999 23 Te 0.65792509612498 0.09055969035641 0.12953177508757 127.600 24 Te 0.90944030964359 0.34207490387502 0.37046822491243 127.600 25 Te 0.34207490387502 0.90944030964359 0.87046822491243 127.600 26 Te 0.09055969035641 0.65792509612498 0.62953177508757 127.600 27 Te 0.34864003139546 0.89956285800704 0.20285410571293 127.600 28 Te 0.10043714199296 0.65135996860454 0.29714589428707 127.600 29 Te 0.65135996860454 0.10043714199296 0.79714589428707 127.600 30 Te 0.89956285800704 0.34864003139546 0.70285410571293 127.600 31 Sm 0.36409730012422 0.87280558870012 0.53722363567867 150.360 32 Sm 0.12719441129988 0.63590269987578 0.96277636432133 150.360 33 Sm 0.63590269987578 0.12719441129988 0.46277636432133 150.360 34 Sm 0.87280558870012 0.36409730012422 0.03722363567867 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.429475435142983 0.000000000000000 0.000000000000000 b 0.000000000000000 10.317850580000000 0.000000000000000 c -4.463325471964606 0.000000000000000 15.492353119466770 Atomic positions (fractional): 1 O 0.00000000000000 0.31808057363402 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.81808057363402 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.18191942636598 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.68191942636598 0.75000000000000 15.999 > 3 5 O 0.93077173498425 0.19282565774489 0.04672609136388 15.999 > 5 6 O 0.93077173498425 0.69282565774489 0.04672609136388 15.999 > 5 7 O 0.06922826501575 0.19282565774489 0.45327390863612 15.999 > 7 8 O 0.06922826501575 0.69282565774489 0.45327390863612 15.999 > 7 9 O 0.06922826501575 0.30717434225511 0.95327390863612 15.999 > 9 10 O 0.06922826501575 0.80717434225511 0.95327390863612 15.999 > 9 11 O 0.93077173498425 0.30717434225511 0.54672609136388 15.999 > 11 12 O 0.93077173498425 0.80717434225511 0.54672609136388 15.999 > 11 13 O 0.84785834041808 0.22007289215670 0.32793103008343 15.999 > 13 14 O 0.84785834041808 0.72007289215670 0.32793103008343 15.999 > 13 15 O 0.65214165958192 0.47007289215670 0.17206896991657 15.999 > 15 16 O 0.65214165958192 0.97007289215670 0.17206896991657 15.999 > 15 17 O 0.15214165958192 0.27992710784330 0.67206896991657 15.999 > 17 18 O 0.15214165958192 0.77992710784330 0.67206896991657 15.999 > 17 19 O 0.34785834041808 0.02992710784330 0.82793103008343 15.999 > 19 20 O 0.34785834041808 0.52992710784330 0.82793103008343 15.999 > 19 21 O 0.74852691891216 0.21687188855349 0.13056984929026 15.999 > 21 22 O 0.74852691891216 0.71687188855349 0.13056984929026 15.999 > 21 23 O 0.75147308108784 0.46687188855349 0.36943015070974 15.999 > 23 24 O 0.75147308108784 0.96687188855349 0.36943015070974 15.999 > 23 25 O 0.02414364368401 0.04235724945697 0.59948129147144 15.999 > 25 26 O 0.02414364368401 0.54235724945697 0.59948129147144 15.999 > 25 27 O 0.97585635631599 0.04235724945697 0.90051870852856 15.999 > 27 28 O 0.97585635631599 0.54235724945697 0.90051870852856 15.999 > 27 29 O 0.97585635631599 0.45764275054303 0.40051870852856 15.999 > 29 30 O 0.97585635631599 0.95764275054303 0.40051870852856 15.999 > 29 31 O 0.02414364368401 0.45764275054303 0.09948129147144 15.999 > 31 32 O 0.02414364368401 0.95764275054303 0.09948129147144 15.999 > 31 33 O 0.20798466781284 0.02114089215930 0.94469759836820 15.999 > 33 34 O 0.20798466781284 0.52114089215930 0.94469759836820 15.999 > 33 35 O 0.79201533218716 0.02114089215930 0.55530240163180 15.999 > 35 36 O 0.79201533218716 0.52114089215930 0.55530240163180 15.999 > 35 37 O 0.79201533218716 0.47885910784070 0.05530240163180 15.999 > 37 38 O 0.79201533218716 0.97885910784070 0.05530240163180 15.999 > 37 39 O 0.20798466781284 0.47885910784070 0.44469759836820 15.999 > 39 40 O 0.20798466781284 0.97885910784070 0.44469759836820 15.999 > 39 41 O 0.24852691891216 0.03312811144651 0.63056984929026 15.999 > 41 42 O 0.24852691891216 0.53312811144651 0.63056984929026 15.999 > 41 43 O 0.25147308108784 0.28312811144651 0.86943015070974 15.999 > 43 44 O 0.25147308108784 0.78312811144651 0.86943015070974 15.999 > 43 45 O 0.50000000000000 0.06808057363402 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.56808057363402 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.43191942636598 0.75000000000000 15.999 > 3 48 O 0.50000000000000 0.93191942636598 0.75000000000000 15.999 > 3 49 O 0.43077173498425 0.44282565774489 0.04672609136388 15.999 > 5 50 O 0.43077173498425 0.94282565774489 0.04672609136388 15.999 > 5 51 O 0.56922826501575 0.44282565774489 0.45327390863612 15.999 > 7 52 O 0.56922826501575 0.94282565774489 0.45327390863612 15.999 > 7 53 O 0.56922826501575 0.05717434225511 0.95327390863612 15.999 > 9 54 O 0.56922826501575 0.55717434225511 0.95327390863612 15.999 > 9 55 O 0.43077173498425 0.05717434225511 0.54672609136388 15.999 > 11 56 O 0.43077173498425 0.55717434225511 0.54672609136388 15.999 > 11 57 O 0.34785834041808 0.47007289215670 0.32793103008343 15.999 > 13 58 O 0.34785834041808 0.97007289215670 0.32793103008343 15.999 > 13 59 O 0.15214165958192 0.22007289215670 0.17206896991657 15.999 > 15 60 O 0.15214165958192 0.72007289215670 0.17206896991657 15.999 > 15 61 O 0.65214165958192 0.02992710784330 0.67206896991657 15.999 > 17 62 O 0.65214165958192 0.52992710784330 0.67206896991657 15.999 > 17 63 O 0.84785834041808 0.27992710784330 0.82793103008343 15.999 > 19 64 O 0.84785834041808 0.77992710784330 0.82793103008343 15.999 > 19 65 O 0.24852691891216 0.46687188855349 0.13056984929026 15.999 > 21 66 O 0.24852691891216 0.96687188855349 0.13056984929026 15.999 > 21 67 O 0.25147308108784 0.21687188855349 0.36943015070974 15.999 > 23 68 O 0.25147308108784 0.71687188855349 0.36943015070974 15.999 > 23 69 O 0.52414364368401 0.29235724945697 0.59948129147144 15.999 > 25 70 O 0.52414364368401 0.79235724945697 0.59948129147144 15.999 > 25 71 O 0.47585635631599 0.29235724945697 0.90051870852856 15.999 > 27 72 O 0.47585635631599 0.79235724945697 0.90051870852856 15.999 > 27 73 O 0.47585635631599 0.20764275054303 0.40051870852856 15.999 > 29 74 O 0.47585635631599 0.70764275054303 0.40051870852856 15.999 > 29 75 O 0.52414364368401 0.20764275054303 0.09948129147144 15.999 > 31 76 O 0.52414364368401 0.70764275054303 0.09948129147144 15.999 > 31 77 O 0.70798466781284 0.27114089215930 0.94469759836820 15.999 > 33 78 O 0.70798466781284 0.77114089215930 0.94469759836820 15.999 > 33 79 O 0.29201533218716 0.27114089215930 0.55530240163180 15.999 > 35 80 O 0.29201533218716 0.77114089215930 0.55530240163180 15.999 > 35 81 O 0.29201533218716 0.22885910784070 0.05530240163180 15.999 > 37 82 O 0.29201533218716 0.72885910784070 0.05530240163180 15.999 > 37 83 O 0.70798466781284 0.22885910784070 0.44469759836820 15.999 > 39 84 O 0.70798466781284 0.72885910784070 0.44469759836820 15.999 > 39 85 O 0.74852691891216 0.28312811144651 0.63056984929026 15.999 > 41 86 O 0.74852691891216 0.78312811144651 0.63056984929026 15.999 > 41 87 O 0.75147308108784 0.03312811144651 0.86943015070974 15.999 > 43 88 O 0.75147308108784 0.53312811144651 0.86943015070974 15.999 > 43 89 Te 0.87424239324070 0.10815864855786 0.12953177508757 127.600 > 89 90 Te 0.87424239324070 0.60815864855786 0.12953177508757 127.600 > 89 91 Te 0.12575760675930 0.10815864855786 0.37046822491243 127.600 > 91 92 Te 0.12575760675930 0.60815864855786 0.37046822491243 127.600 > 91 93 Te 0.12575760675930 0.39184135144214 0.87046822491243 127.600 > 93 94 Te 0.12575760675930 0.89184135144214 0.87046822491243 127.600 > 93 95 Te 0.87424239324070 0.39184135144214 0.62953177508757 127.600 > 95 96 Te 0.87424239324070 0.89184135144214 0.62953177508757 127.600 > 95 97 Te 0.62410144470125 0.13773070665290 0.20285410571293 127.600 > 97 98 Te 0.62410144470125 0.63773070665290 0.20285410571293 127.600 > 97 99 Te 0.87589855529875 0.38773070665290 0.29714589428707 127.600 > 99 100 Te 0.87589855529875 0.88773070665290 0.29714589428707 127.600 > 99 101 Te 0.37589855529875 0.36226929334710 0.79714589428707 127.600 > 101 102 Te 0.37589855529875 0.86226929334710 0.79714589428707 127.600 > 101 103 Te 0.12410144470125 0.11226929334710 0.70285410571293 127.600 > 103 104 Te 0.12410144470125 0.61226929334710 0.70285410571293 127.600 > 103 105 Te 0.37424239324070 0.35815864855786 0.12953177508757 127.600 > 89 106 Te 0.37424239324070 0.85815864855786 0.12953177508757 127.600 > 89 107 Te 0.62575760675930 0.35815864855786 0.37046822491243 127.600 > 91 108 Te 0.62575760675930 0.85815864855786 0.37046822491243 127.600 > 91 109 Te 0.62575760675930 0.14184135144214 0.87046822491243 127.600 > 93 110 Te 0.62575760675930 0.64184135144214 0.87046822491243 127.600 > 93 111 Te 0.37424239324070 0.14184135144214 0.62953177508757 127.600 > 95 112 Te 0.37424239324070 0.64184135144214 0.62953177508757 127.600 > 95 113 Te 0.12410144470125 0.38773070665290 0.20285410571293 127.600 > 97 114 Te 0.12410144470125 0.88773070665290 0.20285410571293 127.600 > 97 115 Te 0.37589855529875 0.13773070665290 0.29714589428707 127.600 > 99 116 Te 0.37589855529875 0.63773070665290 0.29714589428707 127.600 > 99 117 Te 0.87589855529875 0.11226929334710 0.79714589428707 127.600 > 101 118 Te 0.87589855529875 0.61226929334710 0.79714589428707 127.600 > 101 119 Te 0.62410144470125 0.36226929334710 0.70285410571293 127.600 > 103 120 Te 0.62410144470125 0.86226929334710 0.70285410571293 127.600 > 103 121 Sm 0.11845144441217 0.37717707214398 0.53722363567867 150.360 > 121 122 Sm 0.11845144441217 0.87717707214398 0.53722363567867 150.360 > 121 123 Sm 0.38154855558783 0.12717707214398 0.96277636432133 150.360 > 123 124 Sm 0.38154855558783 0.62717707214398 0.96277636432133 150.360 > 123 125 Sm 0.88154855558783 0.12282292785602 0.46277636432133 150.360 > 125 126 Sm 0.88154855558783 0.62282292785602 0.46277636432133 150.360 > 125 127 Sm 0.61845144441217 0.37282292785602 0.03722363567867 150.360 > 127 128 Sm 0.61845144441217 0.87282292785602 0.03722363567867 150.360 > 127 129 Sm 0.61845144441217 0.12717707214398 0.53722363567867 150.360 > 121 130 Sm 0.61845144441217 0.62717707214398 0.53722363567867 150.360 > 121 131 Sm 0.88154855558783 0.37717707214398 0.96277636432133 150.360 > 123 132 Sm 0.88154855558783 0.87717707214398 0.96277636432133 150.360 > 123 133 Sm 0.38154855558783 0.37282292785602 0.46277636432133 150.360 > 125 134 Sm 0.38154855558783 0.87282292785602 0.46277636432133 150.360 > 125 135 Sm 0.11845144441217 0.12282292785602 0.03722363567867 150.360 > 127 136 Sm 0.11845144441217 0.62282292785602 0.03722363567867 150.360 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4269802 0.0000000 -0.5365171 0.0000000 4.8877563 0.0000000 -0.5365151 0.0000000 4.6449904 -------------------------- Born effective charges -------------------------- 1 O -4.5099510 0.0000000 0.9343185 0.0000000 -1.7000172 0.0000000 1.6887919 0.0000000 -1.6693996 2 O -4.5099510 0.0000000 0.9343185 0.0000000 -1.7000172 0.0000000 1.6887919 0.0000000 -1.6693996 3 O -2.3847317 -0.3005758 0.9676928 -0.4069434 -2.1519373 1.0600348 0.5443949 0.9072331 -2.2075611 4 O -2.3847317 0.3005758 0.9676928 0.4069434 -2.1519373 -1.0600348 0.5443949 -0.9072331 -2.2075611 5 O -2.3847317 -0.3005758 0.9676928 -0.4069434 -2.1519373 1.0600348 0.5443949 0.9072331 -2.2075611 6 O -2.3847317 0.3005758 0.9676928 0.4069434 -2.1519373 -1.0600348 0.5443949 -0.9072331 -2.2075611 7 O -1.6936612 -0.7453388 0.3870856 -0.3353022 -2.6993551 0.8600706 0.1083618 0.4858839 -1.9475531 8 O -1.6936612 0.7453388 0.3870856 0.3353022 -2.6993551 -0.8600706 0.1083618 -0.4858839 -1.9475531 9 O -1.6936612 -0.7453388 0.3870856 -0.3353022 -2.6993551 0.8600706 0.1083618 0.4858839 -1.9475531 10 O -1.6936612 0.7453388 0.3870856 0.3353022 -2.6993551 -0.8600706 0.1083618 -0.4858839 -1.9475531 11 O -3.7894485 0.7687129 0.3587335 0.9932402 -1.9883954 0.3017358 0.7273181 -0.0114093 -1.6392776 12 O -3.7894485 -0.7687129 0.3587335 -0.9932402 -1.9883954 -0.3017358 0.7273181 0.0114093 -1.6392776 13 O -2.3276388 -0.4029282 -0.3654814 -0.4397037 -1.9896993 -0.7309062 -0.3905403 -0.5150321 -2.6315264 14 O -2.3276388 0.4029282 -0.3654814 0.4397037 -1.9896993 0.7309062 -0.3905403 0.5150321 -2.6315264 15 O -2.3276388 -0.4029282 -0.3654814 -0.4397037 -1.9896993 -0.7309062 -0.3905403 -0.5150321 -2.6315264 16 O -2.3276388 0.4029282 -0.3654814 0.4397037 -1.9896993 0.7309062 -0.3905403 0.5150321 -2.6315264 17 O -2.1199617 -0.3544289 -0.0410992 -0.3679246 -2.3632980 -1.2884959 -0.1080745 -0.8959104 -2.0582034 18 O -2.1199617 0.3544289 -0.0410992 0.3679246 -2.3632980 1.2884959 -0.1080745 0.8959104 -2.0582034 19 O -2.1199617 -0.3544289 -0.0410992 -0.3679246 -2.3632980 -1.2884959 -0.1080745 -0.8959104 -2.0582034 20 O -2.1199617 0.3544289 -0.0410992 0.3679246 -2.3632980 1.2884959 -0.1080745 0.8959104 -2.0582034 21 O -3.7894485 -0.7687129 0.3587335 -0.9932402 -1.9883954 -0.3017358 0.7273181 0.0114093 -1.6392776 22 O -3.7894485 0.7687129 0.3587335 0.9932402 -1.9883954 0.3017358 0.7273181 -0.0114093 -1.6392776 23 Te 4.7763998 -0.9108528 -0.3709379 -0.4392281 4.0296454 0.6369616 -0.4107376 0.6517813 2.9961054 24 Te 4.7763998 0.9108528 -0.3709379 0.4392281 4.0296454 -0.6369616 -0.4107376 -0.6517813 2.9961054 25 Te 4.7763998 -0.9108528 -0.3709379 -0.4392281 4.0296454 0.6369616 -0.4107376 0.6517813 2.9961054 26 Te 4.7763998 0.9108528 -0.3709379 0.4392281 4.0296454 -0.6369616 -0.4107376 -0.6517813 2.9961054 27 Te 5.6953916 0.7500977 -0.9632533 0.1117952 3.4835171 -0.7075286 -1.0333427 -0.9606382 3.6476451 28 Te 5.6953916 -0.7500977 -0.9632533 -0.1117952 3.4835171 0.7075286 -1.0333427 0.9606382 3.6476451 29 Te 5.6953916 0.7500977 -0.9632533 0.1117952 3.4835171 -0.7075286 -1.0333427 -0.9606382 3.6476451 30 Te 5.6953916 -0.7500977 -0.9632533 -0.1117952 3.4835171 0.7075286 -1.0333427 0.9606382 3.6476451 31 Sm 4.0986260 -0.1058854 -0.4398994 -0.0162006 4.5295313 -0.2250621 -0.2817756 0.0879236 4.6750710 32 Sm 4.0986260 0.1058854 -0.4398994 0.0162006 4.5295313 0.2250621 -0.2817756 -0.0879236 4.6750710 33 Sm 4.0986260 -0.1058854 -0.4398994 -0.0162006 4.5295313 -0.2250621 -0.2817756 0.0879236 4.6750710 34 Sm 4.0986260 0.1058854 -0.4398994 0.0162006 4.5295313 0.2250621 -0.2817756 -0.0879236 4.6750710 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 21, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 89, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (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 2026-01-07 19:24:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:24:30]------------------------- 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: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.214737717571492 -2.579462645000000 0.000000000000000 b 6.214737717571492 2.579462645000000 0.000000000000000 c -4.463325471964606 0.000000000000000 15.492353119466770 Atomic positions (fractional): 1 O 0.36383885273196 0.63616114726804 0.25000000000000 15.999 2 O 0.63616114726804 0.36383885273196 0.75000000000000 15.999 3 O 0.54512041949447 0.31642305047402 0.04672609136388 15.999 4 O 0.68357694952598 0.45487958050553 0.45327390863612 15.999 5 O 0.45487958050553 0.68357694952598 0.95327390863612 15.999 6 O 0.31642305047402 0.54512041949447 0.54672609136388 15.999 7 O 0.40771255610469 0.28800412473148 0.32793103008343 15.999 8 O 0.71199587526852 0.59228744389531 0.17206896991657 15.999 9 O 0.59228744389531 0.71199587526852 0.67206896991657 15.999 10 O 0.28800412473148 0.40771255610469 0.82793103008343 15.999 11 O 0.31478314180519 0.18227069601914 0.13056984929026 15.999 12 O 0.81772930398086 0.68521685819481 0.36943015070974 15.999 13 O 0.93942914477008 0.10885814259795 0.59948129147144 15.999 14 O 0.89114185740205 0.06057085522992 0.90051870852856 15.999 15 O 0.06057085522992 0.89114185740205 0.40051870852856 15.999 16 O 0.10885814259795 0.93942914477008 0.09948129147144 15.999 17 O 0.16570288349424 0.25026645213143 0.94469759836820 15.999 18 O 0.74973354786857 0.83429711650576 0.55530240163180 15.999 19 O 0.83429711650576 0.74973354786857 0.05530240163180 15.999 20 O 0.25026645213143 0.16570288349424 0.44469759836820 15.999 21 O 0.18227069601914 0.31478314180519 0.63056984929026 15.999 22 O 0.68521685819482 0.81772930398086 0.86943015070974 15.999 23 Te 0.65792509612498 0.09055969035641 0.12953177508757 127.600 24 Te 0.90944030964359 0.34207490387502 0.37046822491243 127.600 25 Te 0.34207490387502 0.90944030964359 0.87046822491243 127.600 26 Te 0.09055969035641 0.65792509612498 0.62953177508757 127.600 27 Te 0.34864003139546 0.89956285800704 0.20285410571293 127.600 28 Te 0.10043714199296 0.65135996860454 0.29714589428707 127.600 29 Te 0.65135996860454 0.10043714199296 0.79714589428707 127.600 30 Te 0.89956285800704 0.34864003139546 0.70285410571293 127.600 31 Sm 0.36409730012422 0.87280558870012 0.53722363567867 150.360 32 Sm 0.12719441129988 0.63590269987578 0.96277636432133 150.360 33 Sm 0.63590269987578 0.12719441129988 0.46277636432133 150.360 34 Sm 0.87280558870012 0.36409730012422 0.03722363567867 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.429475435142983 0.000000000000000 0.000000000000000 b 0.000000000000000 10.317850580000000 0.000000000000000 c -4.463325471964606 0.000000000000000 15.492353119466770 Atomic positions (fractional): 1 O 0.00000000000000 0.31808057363402 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.81808057363402 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.18191942636598 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.68191942636598 0.75000000000000 15.999 > 3 5 O 0.93077173498425 0.19282565774489 0.04672609136388 15.999 > 5 6 O 0.93077173498425 0.69282565774489 0.04672609136388 15.999 > 5 7 O 0.06922826501575 0.19282565774489 0.45327390863612 15.999 > 7 8 O 0.06922826501575 0.69282565774489 0.45327390863612 15.999 > 7 9 O 0.06922826501575 0.30717434225511 0.95327390863612 15.999 > 9 10 O 0.06922826501575 0.80717434225511 0.95327390863612 15.999 > 9 11 O 0.93077173498425 0.30717434225511 0.54672609136388 15.999 > 11 12 O 0.93077173498425 0.80717434225511 0.54672609136388 15.999 > 11 13 O 0.84785834041808 0.22007289215670 0.32793103008343 15.999 > 13 14 O 0.84785834041808 0.72007289215670 0.32793103008343 15.999 > 13 15 O 0.65214165958192 0.47007289215670 0.17206896991657 15.999 > 15 16 O 0.65214165958192 0.97007289215670 0.17206896991657 15.999 > 15 17 O 0.15214165958192 0.27992710784330 0.67206896991657 15.999 > 17 18 O 0.15214165958192 0.77992710784330 0.67206896991657 15.999 > 17 19 O 0.34785834041808 0.02992710784330 0.82793103008343 15.999 > 19 20 O 0.34785834041808 0.52992710784330 0.82793103008343 15.999 > 19 21 O 0.74852691891216 0.21687188855349 0.13056984929026 15.999 > 21 22 O 0.74852691891216 0.71687188855349 0.13056984929026 15.999 > 21 23 O 0.75147308108784 0.46687188855349 0.36943015070974 15.999 > 23 24 O 0.75147308108784 0.96687188855349 0.36943015070974 15.999 > 23 25 O 0.02414364368401 0.04235724945697 0.59948129147144 15.999 > 25 26 O 0.02414364368401 0.54235724945697 0.59948129147144 15.999 > 25 27 O 0.97585635631599 0.04235724945697 0.90051870852856 15.999 > 27 28 O 0.97585635631599 0.54235724945697 0.90051870852856 15.999 > 27 29 O 0.97585635631599 0.45764275054303 0.40051870852856 15.999 > 29 30 O 0.97585635631599 0.95764275054303 0.40051870852856 15.999 > 29 31 O 0.02414364368401 0.45764275054303 0.09948129147144 15.999 > 31 32 O 0.02414364368401 0.95764275054303 0.09948129147144 15.999 > 31 33 O 0.20798466781284 0.02114089215930 0.94469759836820 15.999 > 33 34 O 0.20798466781284 0.52114089215930 0.94469759836820 15.999 > 33 35 O 0.79201533218716 0.02114089215930 0.55530240163180 15.999 > 35 36 O 0.79201533218716 0.52114089215930 0.55530240163180 15.999 > 35 37 O 0.79201533218716 0.47885910784070 0.05530240163180 15.999 > 37 38 O 0.79201533218716 0.97885910784070 0.05530240163180 15.999 > 37 39 O 0.20798466781284 0.47885910784070 0.44469759836820 15.999 > 39 40 O 0.20798466781284 0.97885910784070 0.44469759836820 15.999 > 39 41 O 0.24852691891216 0.03312811144651 0.63056984929026 15.999 > 41 42 O 0.24852691891216 0.53312811144651 0.63056984929026 15.999 > 41 43 O 0.25147308108784 0.28312811144651 0.86943015070974 15.999 > 43 44 O 0.25147308108784 0.78312811144651 0.86943015070974 15.999 > 43 45 O 0.50000000000000 0.06808057363402 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.56808057363402 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.43191942636598 0.75000000000000 15.999 > 3 48 O 0.50000000000000 0.93191942636598 0.75000000000000 15.999 > 3 49 O 0.43077173498425 0.44282565774489 0.04672609136388 15.999 > 5 50 O 0.43077173498425 0.94282565774489 0.04672609136388 15.999 > 5 51 O 0.56922826501575 0.44282565774489 0.45327390863612 15.999 > 7 52 O 0.56922826501575 0.94282565774489 0.45327390863612 15.999 > 7 53 O 0.56922826501575 0.05717434225511 0.95327390863612 15.999 > 9 54 O 0.56922826501575 0.55717434225511 0.95327390863612 15.999 > 9 55 O 0.43077173498425 0.05717434225511 0.54672609136388 15.999 > 11 56 O 0.43077173498425 0.55717434225511 0.54672609136388 15.999 > 11 57 O 0.34785834041808 0.47007289215670 0.32793103008343 15.999 > 13 58 O 0.34785834041808 0.97007289215670 0.32793103008343 15.999 > 13 59 O 0.15214165958192 0.22007289215670 0.17206896991657 15.999 > 15 60 O 0.15214165958192 0.72007289215670 0.17206896991657 15.999 > 15 61 O 0.65214165958192 0.02992710784330 0.67206896991657 15.999 > 17 62 O 0.65214165958192 0.52992710784330 0.67206896991657 15.999 > 17 63 O 0.84785834041808 0.27992710784330 0.82793103008343 15.999 > 19 64 O 0.84785834041808 0.77992710784330 0.82793103008343 15.999 > 19 65 O 0.24852691891216 0.46687188855349 0.13056984929026 15.999 > 21 66 O 0.24852691891216 0.96687188855349 0.13056984929026 15.999 > 21 67 O 0.25147308108784 0.21687188855349 0.36943015070974 15.999 > 23 68 O 0.25147308108784 0.71687188855349 0.36943015070974 15.999 > 23 69 O 0.52414364368401 0.29235724945697 0.59948129147144 15.999 > 25 70 O 0.52414364368401 0.79235724945697 0.59948129147144 15.999 > 25 71 O 0.47585635631599 0.29235724945697 0.90051870852856 15.999 > 27 72 O 0.47585635631599 0.79235724945697 0.90051870852856 15.999 > 27 73 O 0.47585635631599 0.20764275054303 0.40051870852856 15.999 > 29 74 O 0.47585635631599 0.70764275054303 0.40051870852856 15.999 > 29 75 O 0.52414364368401 0.20764275054303 0.09948129147144 15.999 > 31 76 O 0.52414364368401 0.70764275054303 0.09948129147144 15.999 > 31 77 O 0.70798466781284 0.27114089215930 0.94469759836820 15.999 > 33 78 O 0.70798466781284 0.77114089215930 0.94469759836820 15.999 > 33 79 O 0.29201533218716 0.27114089215930 0.55530240163180 15.999 > 35 80 O 0.29201533218716 0.77114089215930 0.55530240163180 15.999 > 35 81 O 0.29201533218716 0.22885910784070 0.05530240163180 15.999 > 37 82 O 0.29201533218716 0.72885910784070 0.05530240163180 15.999 > 37 83 O 0.70798466781284 0.22885910784070 0.44469759836820 15.999 > 39 84 O 0.70798466781284 0.72885910784070 0.44469759836820 15.999 > 39 85 O 0.74852691891216 0.28312811144651 0.63056984929026 15.999 > 41 86 O 0.74852691891216 0.78312811144651 0.63056984929026 15.999 > 41 87 O 0.75147308108784 0.03312811144651 0.86943015070974 15.999 > 43 88 O 0.75147308108784 0.53312811144651 0.86943015070974 15.999 > 43 89 Te 0.87424239324070 0.10815864855786 0.12953177508757 127.600 > 89 90 Te 0.87424239324070 0.60815864855786 0.12953177508757 127.600 > 89 91 Te 0.12575760675930 0.10815864855786 0.37046822491243 127.600 > 91 92 Te 0.12575760675930 0.60815864855786 0.37046822491243 127.600 > 91 93 Te 0.12575760675930 0.39184135144214 0.87046822491243 127.600 > 93 94 Te 0.12575760675930 0.89184135144214 0.87046822491243 127.600 > 93 95 Te 0.87424239324070 0.39184135144214 0.62953177508757 127.600 > 95 96 Te 0.87424239324070 0.89184135144214 0.62953177508757 127.600 > 95 97 Te 0.62410144470125 0.13773070665290 0.20285410571293 127.600 > 97 98 Te 0.62410144470125 0.63773070665290 0.20285410571293 127.600 > 97 99 Te 0.87589855529875 0.38773070665290 0.29714589428707 127.600 > 99 100 Te 0.87589855529875 0.88773070665290 0.29714589428707 127.600 > 99 101 Te 0.37589855529875 0.36226929334710 0.79714589428707 127.600 > 101 102 Te 0.37589855529875 0.86226929334710 0.79714589428707 127.600 > 101 103 Te 0.12410144470125 0.11226929334710 0.70285410571293 127.600 > 103 104 Te 0.12410144470125 0.61226929334710 0.70285410571293 127.600 > 103 105 Te 0.37424239324070 0.35815864855786 0.12953177508757 127.600 > 89 106 Te 0.37424239324070 0.85815864855786 0.12953177508757 127.600 > 89 107 Te 0.62575760675930 0.35815864855786 0.37046822491243 127.600 > 91 108 Te 0.62575760675930 0.85815864855786 0.37046822491243 127.600 > 91 109 Te 0.62575760675930 0.14184135144214 0.87046822491243 127.600 > 93 110 Te 0.62575760675930 0.64184135144214 0.87046822491243 127.600 > 93 111 Te 0.37424239324070 0.14184135144214 0.62953177508757 127.600 > 95 112 Te 0.37424239324070 0.64184135144214 0.62953177508757 127.600 > 95 113 Te 0.12410144470125 0.38773070665290 0.20285410571293 127.600 > 97 114 Te 0.12410144470125 0.88773070665290 0.20285410571293 127.600 > 97 115 Te 0.37589855529875 0.13773070665290 0.29714589428707 127.600 > 99 116 Te 0.37589855529875 0.63773070665290 0.29714589428707 127.600 > 99 117 Te 0.87589855529875 0.11226929334710 0.79714589428707 127.600 > 101 118 Te 0.87589855529875 0.61226929334710 0.79714589428707 127.600 > 101 119 Te 0.62410144470125 0.36226929334710 0.70285410571293 127.600 > 103 120 Te 0.62410144470125 0.86226929334710 0.70285410571293 127.600 > 103 121 Sm 0.11845144441217 0.37717707214398 0.53722363567867 150.360 > 121 122 Sm 0.11845144441217 0.87717707214398 0.53722363567867 150.360 > 121 123 Sm 0.38154855558783 0.12717707214398 0.96277636432133 150.360 > 123 124 Sm 0.38154855558783 0.62717707214398 0.96277636432133 150.360 > 123 125 Sm 0.88154855558783 0.12282292785602 0.46277636432133 150.360 > 125 126 Sm 0.88154855558783 0.62282292785602 0.46277636432133 150.360 > 125 127 Sm 0.61845144441217 0.37282292785602 0.03722363567867 150.360 > 127 128 Sm 0.61845144441217 0.87282292785602 0.03722363567867 150.360 > 127 129 Sm 0.61845144441217 0.12717707214398 0.53722363567867 150.360 > 121 130 Sm 0.61845144441217 0.62717707214398 0.53722363567867 150.360 > 121 131 Sm 0.88154855558783 0.37717707214398 0.96277636432133 150.360 > 123 132 Sm 0.88154855558783 0.87717707214398 0.96277636432133 150.360 > 123 133 Sm 0.38154855558783 0.37282292785602 0.46277636432133 150.360 > 125 134 Sm 0.38154855558783 0.87282292785602 0.46277636432133 150.360 > 125 135 Sm 0.11845144441217 0.12282292785602 0.03722363567867 150.360 > 127 136 Sm 0.11845144441217 0.62282292785602 0.03722363567867 150.360 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4269802 0.0000000 -0.5365171 0.0000000 4.8877563 0.0000000 -0.5365151 0.0000000 4.6449904 -------------------------- Born effective charges -------------------------- 1 O -4.5099510 0.0000000 0.9343185 0.0000000 -1.7000172 0.0000000 1.6887919 0.0000000 -1.6693996 2 O -4.5099510 0.0000000 0.9343185 0.0000000 -1.7000172 0.0000000 1.6887919 0.0000000 -1.6693996 3 O -2.3847317 -0.3005758 0.9676928 -0.4069434 -2.1519373 1.0600348 0.5443949 0.9072331 -2.2075611 4 O -2.3847317 0.3005758 0.9676928 0.4069434 -2.1519373 -1.0600348 0.5443949 -0.9072331 -2.2075611 5 O -2.3847317 -0.3005758 0.9676928 -0.4069434 -2.1519373 1.0600348 0.5443949 0.9072331 -2.2075611 6 O -2.3847317 0.3005758 0.9676928 0.4069434 -2.1519373 -1.0600348 0.5443949 -0.9072331 -2.2075611 7 O -1.6936612 -0.7453388 0.3870856 -0.3353022 -2.6993551 0.8600706 0.1083618 0.4858839 -1.9475531 8 O -1.6936612 0.7453388 0.3870856 0.3353022 -2.6993551 -0.8600706 0.1083618 -0.4858839 -1.9475531 9 O -1.6936612 -0.7453388 0.3870856 -0.3353022 -2.6993551 0.8600706 0.1083618 0.4858839 -1.9475531 10 O -1.6936612 0.7453388 0.3870856 0.3353022 -2.6993551 -0.8600706 0.1083618 -0.4858839 -1.9475531 11 O -3.7894485 0.7687129 0.3587335 0.9932402 -1.9883954 0.3017358 0.7273181 -0.0114093 -1.6392776 12 O -3.7894485 -0.7687129 0.3587335 -0.9932402 -1.9883954 -0.3017358 0.7273181 0.0114093 -1.6392776 13 O -2.3276388 -0.4029282 -0.3654814 -0.4397037 -1.9896993 -0.7309062 -0.3905403 -0.5150321 -2.6315264 14 O -2.3276388 0.4029282 -0.3654814 0.4397037 -1.9896993 0.7309062 -0.3905403 0.5150321 -2.6315264 15 O -2.3276388 -0.4029282 -0.3654814 -0.4397037 -1.9896993 -0.7309062 -0.3905403 -0.5150321 -2.6315264 16 O -2.3276388 0.4029282 -0.3654814 0.4397037 -1.9896993 0.7309062 -0.3905403 0.5150321 -2.6315264 17 O -2.1199617 -0.3544289 -0.0410992 -0.3679246 -2.3632980 -1.2884959 -0.1080745 -0.8959104 -2.0582034 18 O -2.1199617 0.3544289 -0.0410992 0.3679246 -2.3632980 1.2884959 -0.1080745 0.8959104 -2.0582034 19 O -2.1199617 -0.3544289 -0.0410992 -0.3679246 -2.3632980 -1.2884959 -0.1080745 -0.8959104 -2.0582034 20 O -2.1199617 0.3544289 -0.0410992 0.3679246 -2.3632980 1.2884959 -0.1080745 0.8959104 -2.0582034 21 O -3.7894485 -0.7687129 0.3587335 -0.9932402 -1.9883954 -0.3017358 0.7273181 0.0114093 -1.6392776 22 O -3.7894485 0.7687129 0.3587335 0.9932402 -1.9883954 0.3017358 0.7273181 -0.0114093 -1.6392776 23 Te 4.7763998 -0.9108528 -0.3709379 -0.4392281 4.0296454 0.6369616 -0.4107376 0.6517813 2.9961054 24 Te 4.7763998 0.9108528 -0.3709379 0.4392281 4.0296454 -0.6369616 -0.4107376 -0.6517813 2.9961054 25 Te 4.7763998 -0.9108528 -0.3709379 -0.4392281 4.0296454 0.6369616 -0.4107376 0.6517813 2.9961054 26 Te 4.7763998 0.9108528 -0.3709379 0.4392281 4.0296454 -0.6369616 -0.4107376 -0.6517813 2.9961054 27 Te 5.6953916 0.7500977 -0.9632533 0.1117952 3.4835171 -0.7075286 -1.0333427 -0.9606382 3.6476451 28 Te 5.6953916 -0.7500977 -0.9632533 -0.1117952 3.4835171 0.7075286 -1.0333427 0.9606382 3.6476451 29 Te 5.6953916 0.7500977 -0.9632533 0.1117952 3.4835171 -0.7075286 -1.0333427 -0.9606382 3.6476451 30 Te 5.6953916 -0.7500977 -0.9632533 -0.1117952 3.4835171 0.7075286 -1.0333427 0.9606382 3.6476451 31 Sm 4.0986260 -0.1058854 -0.4398994 -0.0162006 4.5295313 -0.2250621 -0.2817756 0.0879236 4.6750710 32 Sm 4.0986260 0.1058854 -0.4398994 0.0162006 4.5295313 0.2250621 -0.2817756 -0.0879236 4.6750710 33 Sm 4.0986260 -0.1058854 -0.4398994 -0.0162006 4.5295313 -0.2250621 -0.2817756 0.0879236 4.6750710 34 Sm 4.0986260 0.1058854 -0.4398994 0.0162006 4.5295313 0.2250621 -0.2817756 -0.0879236 4.6750710 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/102) ======================= 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 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 1.068 ( 0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.682 ( 0.000 0.000 0.000) 0.000 1.745 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.725 ( 0.000 0.000 0.000) 0.000 2.891 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.075 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.549 ( 0.000 0.000 0.000) 0.000 3.630 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.380 ( 0.000 0.000 0.000) 0.000 4.469 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.807 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.850 ( 0.000 0.000 0.000) 0.000 4.934 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.525 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.877 ( 0.000 0.000 0.000) 0.000 6.044 ( 0.000 0.000 0.000) 0.000 6.186 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.712 ( 0.000 0.000 0.000) 0.000 6.889 ( 0.000 0.000 0.000) 0.000 7.161 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 8.116 ( 0.000 0.000 0.000) 0.000 8.241 ( 0.000 0.000 0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.636 ( 0.000 0.000 0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.748 ( 0.000 0.000 0.000) 0.000 8.988 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 10.062 ( 0.000 0.000 0.000) 0.000 10.489 ( 0.000 0.000 0.000) 0.000 10.621 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.640 ( 0.000 0.000 0.000) 0.000 10.689 ( 0.000 0.000 0.000) 0.000 10.752 ( 0.000 0.000 0.000) 0.000 11.046 ( 0.000 0.000 0.000) 0.000 11.140 ( 0.000 0.000 0.000) 0.000 11.262 ( 0.000 0.000 0.000) 0.000 11.962 ( 0.000 0.000 0.000) 0.000 12.028 ( 0.000 0.000 0.000) 0.000 12.035 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.686 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 13.619 ( 0.000 0.000 0.000) 0.000 13.633 ( 0.000 0.000 0.000) 0.000 15.994 ( 0.000 0.000 0.000) 0.000 16.501 ( 0.000 0.000 0.000) 0.000 17.625 ( 0.000 0.000 0.000) 0.000 17.649 ( 0.000 0.000 0.000) 0.000 17.685 ( 0.000 0.000 0.000) 0.000 17.996 ( 0.000 0.000 0.000) 0.000 19.295 ( 0.000 0.000 0.000) 0.000 19.628 ( 0.000 0.000 0.000) 0.000 19.650 ( 0.000 0.000 0.000) 0.000 19.776 ( 0.000 0.000 0.000) 0.000 19.861 ( 0.000 0.000 0.000) 0.000 20.180 ( 0.000 0.000 0.000) 0.000 20.297 ( 0.000 0.000 0.000) 0.000 20.322 ( 0.000 0.000 0.000) 0.000 21.622 ( 0.000 0.000 0.000) 0.000 21.929 ( 0.000 0.000 0.000) 0.000 21.930 ( 0.000 0.000 0.000) 0.000 22.447 ( 0.000 0.000 0.000) 0.000 22.466 ( 0.000 0.000 0.000) 0.000 22.884 ( 0.000 0.000 0.000) 0.000 22.958 ( 0.000 0.000 0.000) 0.000 23.061 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/102) ======================= q-point: ( 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 12.614 -15.672 -2.791) 20.310 0.533 ( 4.088 -26.472 9.414) 28.392 0.758 ( 25.429 -30.756 -2.360) 39.976 1.209 ( -1.951 -8.210 4.751) 9.684 1.239 ( 4.717 -4.488 -11.946) 13.606 1.683 ( 4.247 5.009 -3.857) 7.616 1.740 ( 6.471 -2.341 11.990) 13.825 2.036 ( 11.008 7.070 -7.010) 14.843 2.298 ( 0.950 -9.855 -2.416) 10.191 2.485 ( 2.016 -9.484 0.058) 9.695 2.628 ( 2.015 -4.686 1.339) 5.274 2.759 ( -0.884 2.372 -1.579) 2.983 2.776 ( 4.008 1.660 -0.264) 4.346 2.993 ( -1.282 3.664 -0.145) 3.885 3.193 ( 1.263 2.052 -2.304) 3.334 3.245 ( 11.718 2.548 -5.742) 13.296 3.402 ( -2.810 3.776 1.118) 4.838 3.415 ( -3.506 -0.581 2.654) 4.436 3.557 ( 1.843 -4.860 -0.639) 5.237 3.603 ( 0.300 -4.684 -1.349) 4.883 3.787 ( -2.423 2.501 -2.558) 4.321 3.839 ( -2.708 -1.395 1.956) 3.621 3.913 ( -2.080 0.277 0.033) 2.098 3.981 ( -7.422 -4.753 -0.896) 8.859 4.095 ( -0.601 0.847 2.643) 2.840 4.403 ( -1.925 3.531 6.398) 7.557 4.421 ( 8.330 8.335 -7.400) 13.914 4.556 ( -1.875 1.082 -1.523) 2.647 4.630 ( 4.120 8.353 -2.290) 9.591 4.747 ( -5.807 2.455 2.659) 6.842 4.784 ( 0.288 4.048 -0.805) 4.138 4.978 ( 2.202 -3.079 -1.077) 3.935 5.030 ( 3.058 5.518 -1.690) 6.531 5.125 ( -8.238 -2.833 -4.702) 9.900 5.209 ( 0.969 -3.800 -1.093) 4.071 5.401 ( -3.515 -1.024 -2.231) 4.287 5.427 ( -3.236 -0.025 3.184) 4.540 5.568 ( -3.325 -5.241 1.284) 6.338 5.636 ( -5.876 0.166 -0.892) 5.945 5.713 ( 15.580 12.429 -4.733) 20.485 5.858 ( 3.431 2.448 3.243) 5.318 5.947 ( -0.815 -5.620 -0.020) 5.679 6.053 ( 2.299 0.561 1.033) 2.582 6.290 ( 7.461 1.884 2.102) 7.977 6.406 ( -4.647 1.134 0.083) 4.784 6.496 ( 4.573 -0.324 -1.451) 4.809 6.641 ( 4.065 -1.586 0.303) 4.374 6.888 ( 1.119 0.586 3.614) 3.828 7.007 ( -7.505 -9.200 0.322) 11.877 7.419 ( 1.818 -2.665 -0.629) 3.287 7.448 ( 44.424 22.654 -13.974) 51.788 7.807 ( 3.422 1.764 -4.977) 6.292 8.134 ( -2.276 2.228 5.061) 5.980 8.183 ( -4.653 3.307 11.264) 12.628 8.268 ( 8.504 7.814 -3.590) 12.094 8.677 ( -8.236 -1.287 4.724) 9.582 8.735 ( 0.179 -0.567 6.274) 6.302 8.815 ( 9.983 -4.117 -9.019) 14.069 8.927 ( 1.779 3.425 -3.234) 5.035 9.187 ( 19.966 6.859 -13.705) 25.170 9.316 ( -4.546 -0.953 7.194) 8.563 9.435 ( 10.749 0.493 -7.040) 12.858 10.038 ( 0.856 2.262 -0.545) 2.479 10.432 ( -8.853 8.656 3.542) 12.879 10.569 ( -3.041 2.489 0.648) 3.983 10.606 ( 2.197 3.398 -2.518) 4.766 10.702 ( -3.143 -3.651 3.334) 5.859 10.811 ( -1.520 -1.853 -7.636) 8.003 10.892 ( 2.220 -5.856 3.183) 7.026 11.137 ( 2.208 1.399 0.626) 2.688 11.302 ( 6.255 -0.856 0.410) 6.326 11.349 ( -7.571 -5.017 -7.751) 11.941 11.951 ( -3.911 0.922 1.398) 4.255 12.005 ( -0.895 0.322 -0.275) 0.990 12.100 ( 12.889 5.079 1.083) 13.896 12.222 ( 17.828 11.696 3.079) 21.543 12.676 ( -0.146 0.925 -0.164) 0.950 12.718 ( -0.450 -0.830 0.266) 0.981 13.593 ( 0.025 2.998 -0.189) 3.004 13.721 ( -4.758 2.162 -0.010) 5.226 16.058 ( 19.584 6.569 -15.302) 25.707 16.455 ( 1.618 5.951 4.623) 7.708 17.681 ( -0.879 -6.010 1.048) 6.163 17.733 ( 1.953 -4.376 -0.733) 4.847 17.959 ( -13.050 -2.722 -0.044) 13.330 18.586 ( 16.235 2.159 -7.065) 17.837 19.300 ( -1.773 2.817 6.560) 7.357 19.523 ( 11.321 13.730 -0.084) 17.795 19.690 ( -1.927 7.688 -1.040) 7.994 19.867 ( 1.456 8.301 4.174) 9.405 20.032 ( -15.635 -15.697 3.390) 22.413 20.232 ( -2.609 6.634 -0.142) 7.130 20.374 ( 13.313 -1.571 -1.536) 13.493 20.808 ( 16.182 -3.965 -10.890) 19.904 21.676 ( 0.755 -4.517 4.733) 6.586 21.912 ( 0.751 1.415 -0.472) 1.670 22.386 ( -0.116 4.629 -0.356) 4.644 22.512 ( -0.439 -3.200 1.253) 3.465 22.650 ( -3.336 0.179 -0.295) 3.354 22.998 ( -1.581 -4.725 -0.673) 5.028 23.090 ( -1.710 -3.632 0.792) 4.091 23.580 ( -29.797 -11.074 -7.534) 32.669 ======================= Grid point 2 (3/102) ======================= q-point: ( 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 11.677 -17.240 -2.500) 20.972 0.990 ( 1.337 -14.950 11.557) 18.944 1.127 ( 7.012 -2.293 -0.999) 7.445 1.434 ( 5.906 -16.150 -4.505) 17.776 1.539 ( 14.939 -21.242 -7.177) 26.942 1.715 ( 7.589 -6.061 -5.068) 10.955 1.911 ( 11.719 -6.375 13.804) 19.197 2.020 ( 9.265 0.975 -4.682) 10.427 2.432 ( -1.110 -5.519 -4.265) 7.063 2.656 ( 4.358 -5.086 2.558) 7.170 2.726 ( -0.404 -1.223 3.548) 3.775 2.756 ( 3.076 -6.016 -1.131) 6.851 2.862 ( 0.868 -4.468 -0.545) 4.585 2.887 ( 2.470 4.093 1.175) 4.923 3.182 ( 1.127 -1.795 -4.872) 5.313 3.264 ( 1.608 1.519 -1.315) 2.573 3.319 ( -1.031 2.648 0.483) 2.882 3.399 ( -4.361 0.592 3.388) 5.554 3.603 ( 2.784 2.195 -0.981) 3.678 3.669 ( -3.435 -3.536 -0.252) 4.936 3.718 ( -2.866 2.081 -1.197) 3.739 3.816 ( -0.379 2.275 -1.652) 2.837 3.887 ( -3.369 0.159 -0.423) 3.399 3.976 ( -8.788 -0.755 0.713) 8.849 4.068 ( -2.187 3.390 6.001) 7.231 4.262 ( -2.814 6.925 -2.201) 7.792 4.367 ( 2.048 4.442 2.186) 5.357 4.483 ( 1.931 5.543 -2.782) 6.496 4.584 ( 1.159 -1.754 -3.028) 3.686 4.662 ( -2.697 2.530 0.819) 3.788 4.742 ( -0.901 0.177 0.939) 1.313 4.957 ( 3.802 4.989 -1.829) 6.534 5.043 ( 4.573 -2.387 -6.209) 8.073 5.115 ( -7.173 -2.946 4.655) 9.044 5.227 ( -5.351 0.567 1.534) 5.595 5.374 ( -5.032 1.484 2.205) 5.691 5.444 ( -3.925 -5.092 -2.763) 6.998 5.547 ( -7.704 1.178 -2.373) 8.147 5.621 ( 5.925 4.996 0.701) 7.781 5.634 ( -3.556 -1.866 2.163) 4.562 5.877 ( 7.319 -0.239 1.211) 7.422 6.035 ( -0.930 -4.408 -0.148) 4.508 6.063 ( 1.825 0.047 0.050) 1.826 6.299 ( -1.693 2.968 1.758) 3.842 6.330 ( 3.562 2.725 1.499) 4.729 6.570 ( 8.114 -2.278 -3.572) 9.153 6.715 ( 9.286 0.375 0.828) 9.331 6.898 ( 3.797 1.083 3.518) 5.288 7.083 ( 4.633 -0.464 -0.369) 4.670 7.305 ( 18.810 16.576 -7.155) 26.072 7.508 ( 5.220 -3.868 -0.390) 6.509 7.796 ( -1.130 -0.325 -0.683) 1.359 8.017 ( -3.069 5.760 1.367) 6.668 8.179 ( 4.023 6.481 -5.758) 9.557 8.207 ( 2.688 -2.027 3.368) 4.762 8.540 ( -5.670 8.393 2.230) 10.371 8.756 ( -6.102 -1.627 6.512) 9.071 8.896 ( 2.095 2.896 -1.138) 3.751 8.962 ( 6.459 -5.706 -5.378) 10.159 9.154 ( 1.584 3.565 -1.533) 4.191 9.331 ( -3.894 -2.294 4.494) 6.373 9.507 ( 10.446 -1.462 -6.729) 12.511 10.020 ( 1.824 0.529 -0.670) 2.014 10.216 ( -5.087 9.213 3.394) 11.058 10.521 ( -3.140 0.441 1.636) 3.568 10.567 ( 0.397 1.615 -0.790) 1.841 10.751 ( -4.292 -3.915 3.498) 6.781 10.786 ( -3.784 -0.273 -7.336) 8.259 10.995 ( 5.393 -1.380 0.498) 5.589 11.131 ( 3.482 1.828 1.425) 4.183 11.335 ( -1.195 -0.775 -1.826) 2.315 11.377 ( 6.843 1.999 2.590) 7.585 11.888 ( -3.735 2.449 -0.088) 4.467 12.005 ( -2.411 -0.283 -0.519) 2.483 12.101 ( 7.426 2.739 0.098) 7.915 12.143 ( 13.356 9.744 0.501) 16.540 12.661 ( -0.526 0.114 -0.383) 0.661 12.732 ( -1.131 -1.361 0.264) 1.790 13.512 ( -0.362 6.008 0.111) 6.020 13.622 ( -4.635 4.834 0.163) 6.699 16.054 ( 8.661 3.036 -6.122) 11.032 16.358 ( 1.099 6.689 4.453) 8.110 17.798 ( -7.320 -8.133 1.922) 11.110 17.846 ( 2.236 -6.779 -0.933) 7.199 17.954 ( -3.974 -5.473 -0.797) 6.810 18.615 ( 15.100 6.598 -3.980) 16.952 19.204 ( -8.269 5.617 1.575) 10.120 19.370 ( 6.354 11.840 1.291) 13.499 19.501 ( 2.651 11.002 0.875) 11.351 19.700 ( 1.648 10.160 -1.703) 10.433 20.060 ( -2.828 9.877 -0.294) 10.278 20.166 ( -6.954 -6.600 3.201) 10.108 20.550 ( 3.826 -9.908 0.921) 10.661 21.030 ( 13.515 -10.147 -5.620) 17.810 21.798 ( 1.454 -6.738 3.816) 7.879 21.911 ( 1.409 -0.778 -1.276) 2.054 22.288 ( -0.617 5.884 -0.543) 5.941 22.568 ( -4.230 -1.624 8.434) 9.574 22.606 ( 1.676 0.578 -7.723) 7.924 23.070 ( -2.458 -4.635 -1.148) 5.371 23.152 ( -2.719 -4.520 1.805) 5.575 23.529 ( -15.765 -3.519 -3.001) 16.430 ======================= Grid point 3 (4/102) ======================= q-point: ( 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.072 ( 8.453 -8.835 0.395) 12.234 1.110 ( 7.954 -10.727 0.497) 13.363 1.409 ( 7.464 -9.756 1.047) 12.328 1.566 ( -0.048 -7.987 -3.899) 8.888 1.934 ( 8.523 -9.773 -0.234) 12.969 1.975 ( 4.234 -11.600 0.849) 12.377 2.171 ( 12.914 -13.080 -1.343) 18.430 2.206 ( 15.343 -11.530 1.263) 19.234 2.477 ( -2.689 0.072 -1.850) 3.264 2.603 ( 2.914 5.849 1.498) 6.704 2.781 ( -0.990 -1.424 3.675) 4.064 2.876 ( 0.715 -4.666 0.908) 4.807 2.926 ( 7.112 -0.231 -2.106) 7.421 2.964 ( 2.863 -6.010 -0.555) 6.680 3.230 ( 0.476 -2.616 -2.464) 3.625 3.250 ( -3.008 -3.312 -1.752) 4.805 3.295 ( -1.323 1.149 0.212) 1.765 3.340 ( -6.209 1.660 4.178) 7.666 3.534 ( 3.517 6.057 -2.818) 7.549 3.665 ( -3.374 2.052 -0.169) 3.953 3.673 ( -3.230 0.523 2.206) 3.946 3.768 ( -3.546 0.390 -2.650) 4.444 3.864 ( -2.103 3.028 1.300) 3.909 3.908 ( -3.690 -0.236 -0.921) 3.810 3.967 ( -3.877 4.473 7.182) 9.307 4.153 ( -0.560 3.622 -2.647) 4.520 4.263 ( -3.667 4.191 -2.181) 5.981 4.462 ( 1.323 0.689 1.115) 1.862 4.611 ( -7.133 -2.777 -1.845) 7.874 4.644 ( 8.479 2.039 -0.714) 8.750 4.772 ( -0.736 -3.987 -0.392) 4.073 4.906 ( 2.375 3.245 -0.108) 4.023 5.086 ( -4.773 -1.645 2.382) 5.582 5.104 ( -3.219 0.682 0.831) 3.394 5.191 ( 0.264 0.090 -5.383) 5.390 5.313 ( -7.473 -1.672 2.821) 8.161 5.475 ( -8.188 -0.216 0.641) 8.216 5.494 ( -0.732 -1.235 -2.436) 2.828 5.617 ( 4.121 -0.017 1.013) 4.244 5.638 ( -1.822 -1.618 1.082) 2.666 5.949 ( 5.497 0.720 1.489) 5.741 6.062 ( 3.259 -1.092 -1.072) 3.601 6.110 ( 0.368 -2.788 1.500) 3.187 6.222 ( -3.300 1.446 0.511) 3.639 6.352 ( 9.980 2.000 0.204) 10.181 6.653 ( 5.764 -1.109 -1.613) 6.087 6.740 ( 9.863 4.528 0.157) 10.853 6.928 ( 2.666 -0.986 4.267) 5.127 7.092 ( 13.735 7.969 -4.176) 16.419 7.145 ( 3.666 7.280 -2.363) 8.486 7.595 ( 5.710 -0.931 -0.190) 5.789 7.797 ( -3.316 -1.482 0.777) 3.715 7.930 ( -0.151 2.895 1.082) 3.094 8.080 ( 3.372 6.058 -6.691) 9.635 8.223 ( 4.069 7.217 2.405) 8.627 8.405 ( -4.014 0.173 2.560) 4.764 8.725 ( -9.339 -0.446 4.362) 10.317 8.837 ( -0.478 3.936 -1.186) 4.138 9.045 ( -0.511 -0.305 -5.703) 5.734 9.093 ( 1.353 2.994 2.481) 4.117 9.332 ( -7.225 -1.580 2.919) 7.951 9.602 ( 8.101 -2.229 -5.099) 9.829 9.995 ( -1.799 2.766 2.274) 4.007 10.145 ( 2.695 -2.700 -0.036) 3.815 10.519 ( -0.477 -1.412 1.536) 2.140 10.548 ( 0.387 0.946 1.211) 1.584 10.738 ( -3.676 -0.414 -7.885) 8.710 10.807 ( -3.026 -3.812 4.135) 6.387 11.029 ( 5.821 1.754 -0.464) 6.097 11.122 ( 4.001 2.847 1.088) 5.030 11.316 ( -1.154 1.788 -0.267) 2.145 11.349 ( 4.846 6.697 1.468) 8.396 11.817 ( -2.630 2.952 0.031) 3.954 11.957 ( -1.106 3.828 -0.262) 3.993 12.092 ( 6.102 2.921 0.131) 6.766 12.131 ( 7.559 1.316 -0.124) 7.674 12.673 ( -0.086 -2.110 -0.302) 2.133 12.755 ( -1.098 -2.369 0.019) 2.612 13.380 ( -1.430 8.224 0.607) 8.369 13.496 ( -4.368 5.389 -0.213) 6.940 16.053 ( 5.049 1.648 -3.022) 6.111 16.264 ( -0.105 5.140 2.780) 5.844 17.835 ( -9.621 -4.357 0.727) 10.587 17.999 ( 2.301 -7.962 -1.422) 8.409 18.088 ( 1.578 -8.949 0.730) 9.117 18.572 ( 11.194 7.812 -1.092) 13.694 18.984 ( -8.365 11.279 -0.073) 14.043 19.218 ( 1.714 7.654 0.133) 7.845 19.389 ( 4.761 7.026 2.609) 8.879 19.545 ( -0.331 6.945 -2.532) 7.399 19.862 ( -1.318 10.351 -0.437) 10.444 20.197 ( -0.373 -0.061 1.000) 1.069 20.738 ( -1.775 -9.984 0.971) 10.187 21.301 ( 10.822 -10.424 -2.252) 15.194 21.926 ( 1.098 -5.357 2.726) 6.110 21.953 ( 1.904 -2.837 -1.384) 3.686 22.172 ( -0.928 6.367 -0.690) 6.471 22.486 ( -4.339 5.171 3.196) 7.469 22.686 ( 2.542 -5.725 -2.892) 6.899 23.107 ( -3.028 -1.847 0.175) 3.551 23.210 ( -2.061 -3.742 0.616) 4.316 23.467 ( -10.593 -1.088 -1.128) 10.708 ======================= Grid point 4 (5/102) ======================= q-point: ( 0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 8.601 -6.783 -6.723) 12.853 1.327 ( 4.523 -9.134 -0.004) 10.192 1.581 ( 6.447 -9.432 0.227) 11.427 1.765 ( 3.795 -9.102 3.386) 10.427 2.108 ( 3.102 -3.028 2.347) 4.930 2.158 ( -0.257 -9.984 3.125) 10.465 2.330 ( 0.694 10.117 0.433) 10.150 2.423 ( 3.101 -6.725 -2.227) 7.733 2.536 ( 13.682 -11.824 0.881) 18.105 2.657 ( 7.197 -2.953 -6.727) 10.284 2.755 ( -2.270 2.639 3.514) 4.946 2.892 ( -7.749 -0.842 0.959) 7.854 2.963 ( 4.406 -1.621 -0.476) 4.719 3.101 ( 3.547 -4.404 -4.663) 7.329 3.203 ( -3.508 3.457 3.818) 6.232 3.265 ( -0.188 0.724 0.299) 0.806 3.292 ( -1.035 1.823 1.018) 2.331 3.331 ( -1.253 -4.866 0.406) 5.041 3.486 ( 3.534 1.637 -2.421) 4.586 3.555 ( -4.007 4.521 1.210) 6.161 3.635 ( -2.646 1.879 1.174) 3.451 3.744 ( -2.330 2.111 2.810) 4.217 3.776 ( -0.025 1.303 -2.205) 2.561 3.921 ( -3.898 -2.668 1.265) 4.890 3.961 ( 2.922 -1.903 -0.663) 3.550 4.101 ( 1.562 2.013 0.367) 2.574 4.219 ( -4.760 -3.098 -5.361) 7.810 4.428 ( -0.486 3.518 1.403) 3.819 4.579 ( -10.281 -0.813 2.388) 10.586 4.675 ( 5.947 0.593 0.340) 5.986 4.792 ( 2.262 3.283 -2.247) 4.576 4.905 ( 0.112 -2.427 2.972) 3.839 5.035 ( -8.192 -0.523 0.495) 8.224 5.126 ( 4.900 -0.010 -0.356) 4.913 5.141 ( -3.834 1.975 -3.414) 5.501 5.350 ( -5.732 -4.284 -2.350) 7.532 5.410 ( -6.458 -0.238 3.755) 7.475 5.516 ( 1.709 -2.164 -0.677) 2.839 5.659 ( 2.350 -0.635 0.755) 2.549 5.671 ( -0.759 -2.297 -1.145) 2.677 5.889 ( -2.123 5.388 2.139) 6.174 6.149 ( 2.040 -0.294 1.169) 2.370 6.171 ( 9.372 -4.202 -0.651) 10.291 6.233 ( 2.338 -3.197 -1.006) 4.086 6.406 ( 8.544 -0.633 -0.865) 8.611 6.618 ( 1.452 7.394 2.733) 8.016 6.767 ( 7.498 -0.033 -1.880) 7.730 6.939 ( 1.503 6.282 1.473) 6.625 7.011 ( 4.486 0.975 -3.124) 5.553 7.127 ( 5.715 1.585 0.548) 5.956 7.620 ( 3.396 1.414 -0.650) 3.735 7.796 ( -6.199 -1.633 1.375) 6.556 7.909 ( 1.911 1.131 1.862) 2.898 7.994 ( 3.657 5.390 -6.325) 9.079 8.087 ( 5.858 7.986 -0.722) 9.930 8.420 ( -4.223 -0.027 8.743) 9.709 8.674 ( -5.906 -0.755 -3.766) 7.045 8.762 ( -2.163 2.552 0.227) 3.353 8.963 ( -7.067 3.044 0.679) 7.724 9.063 ( 0.589 2.649 -1.974) 3.356 9.323 ( -4.283 -1.913 1.330) 4.876 9.654 ( 4.043 0.634 -1.408) 4.328 9.976 ( -0.170 -1.034 0.505) 1.163 10.259 ( 3.172 -6.046 -0.457) 6.843 10.547 ( 1.802 0.026 0.882) 2.007 10.566 ( 2.500 -2.207 1.785) 3.782 10.715 ( -3.568 -1.636 -5.320) 6.611 10.865 ( -3.512 -4.508 3.437) 6.668 11.018 ( 3.684 3.525 -0.477) 5.121 11.095 ( 3.970 3.385 0.410) 5.233 11.222 ( -0.580 7.661 0.603) 7.707 11.272 ( 2.498 4.362 -0.813) 5.092 11.750 ( -1.646 2.608 0.572) 3.137 11.876 ( 0.490 4.537 0.079) 4.564 12.111 ( 3.660 -0.407 -0.103) 3.684 12.160 ( 3.081 -0.042 -0.289) 3.095 12.733 ( 1.122 -3.917 0.050) 4.075 12.804 ( -0.068 -3.865 -0.403) 3.886 13.212 ( -2.968 8.823 0.785) 9.342 13.376 ( -3.027 4.864 -0.343) 5.739 16.056 ( 3.147 0.814 -1.658) 3.649 16.190 ( -0.979 3.305 1.605) 3.802 17.840 ( -5.362 -2.532 0.229) 5.934 18.126 ( 0.350 -5.229 -2.227) 5.695 18.260 ( -0.461 -9.304 1.832) 9.494 18.521 ( 9.291 6.111 1.407) 11.209 18.744 ( -5.982 8.680 -2.195) 10.768 19.129 ( 1.878 4.313 2.701) 5.424 19.294 ( 1.688 6.524 -1.835) 6.984 19.456 ( -0.612 2.638 0.094) 2.710 19.689 ( -0.167 8.096 -0.577) 8.119 20.183 ( 0.513 1.526 0.188) 1.621 20.878 ( -1.521 -7.058 0.537) 7.240 21.526 ( 6.605 -8.003 -0.618) 10.395 21.993 ( 0.050 -0.527 -0.507) 0.733 22.022 ( 1.231 -2.806 1.033) 3.234 22.065 ( -0.147 3.474 -1.301) 3.712 22.366 ( -3.318 5.341 2.356) 6.715 22.808 ( 2.755 -6.239 -2.010) 7.111 23.093 ( -3.188 0.972 1.164) 3.531 23.255 ( -0.701 -2.367 -0.375) 2.497 23.413 ( -6.841 -0.293 -0.179) 6.849 ======================= Grid point 5 (6/102) ======================= q-point: ( 0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 2.352 0.515 -3.426) 4.188 1.569 ( 3.115 -8.341 -1.021) 8.962 1.804 ( 2.562 -10.389 -1.285) 10.777 1.912 ( 3.727 -2.128 5.972) 7.354 2.104 ( -1.773 3.310 4.233) 5.658 2.157 ( -0.104 6.245 -4.133) 7.489 2.309 ( 1.474 -3.247 0.973) 3.696 2.493 ( 0.079 -1.471 -0.389) 1.524 2.688 ( 2.583 1.168 -5.251) 5.967 2.704 ( -2.650 0.697 2.263) 3.554 2.827 ( 8.739 -8.706 -0.537) 12.347 2.872 ( -3.636 -3.875 1.298) 5.470 3.029 ( -2.290 -1.725 0.694) 2.950 3.109 ( 0.164 -0.757 -3.057) 3.154 3.151 ( 0.802 7.075 1.974) 7.389 3.206 ( 0.294 0.635 -0.307) 0.764 3.222 ( -1.635 6.344 1.445) 6.709 3.366 ( -0.583 -0.638 0.879) 1.233 3.493 ( 0.444 -2.066 1.126) 2.394 3.559 ( -2.044 -0.646 1.284) 2.499 3.608 ( 3.361 -1.849 -4.600) 5.990 3.693 ( -0.664 2.188 3.361) 4.065 3.783 ( 1.311 -0.098 -3.241) 3.498 3.929 ( -3.218 -0.379 3.688) 4.909 4.032 ( 1.136 -4.856 -3.671) 6.193 4.098 ( 2.696 1.853 0.841) 3.378 4.241 ( -2.145 -2.439 -3.077) 4.474 4.356 ( -1.848 2.982 1.101) 3.677 4.522 ( -4.872 0.576 3.462) 6.005 4.696 ( -1.083 -0.121 1.334) 1.723 4.760 ( 5.526 1.624 -2.838) 6.421 4.962 ( 0.525 -2.588 3.270) 4.203 4.986 ( -4.710 0.245 0.005) 4.716 5.060 ( -2.984 2.745 -3.410) 5.298 5.184 ( 7.832 -1.203 -1.261) 8.024 5.283 ( -8.540 2.276 1.988) 9.059 5.470 ( -1.590 -5.001 0.283) 5.256 5.590 ( 3.502 -3.653 -2.407) 5.604 5.656 ( -2.206 1.234 2.304) 3.420 5.668 ( -0.320 2.010 -1.199) 2.363 5.807 ( -0.065 2.385 0.944) 2.566 6.162 ( 1.017 0.154 0.467) 1.130 6.301 ( 2.369 -5.190 0.597) 5.737 6.333 ( 6.255 -3.066 -1.945) 7.232 6.457 ( 1.271 5.132 -1.777) 5.578 6.519 ( 1.729 -0.813 3.384) 3.886 6.767 ( 0.412 4.559 -1.901) 4.956 6.846 ( 0.424 1.524 1.086) 1.919 7.044 ( 0.757 -1.192 -0.603) 1.536 7.147 ( 3.018 0.338 0.445) 3.070 7.612 ( 1.262 0.803 -0.646) 1.630 7.756 ( -4.649 0.874 0.608) 4.770 7.914 ( 0.676 0.013 3.195) 3.265 7.930 ( 2.488 2.370 -3.012) 4.570 8.072 ( 6.861 0.583 -4.118) 8.023 8.349 ( -6.395 3.128 6.982) 9.971 8.672 ( 0.691 -1.870 -6.417) 6.719 8.723 ( -2.184 0.899 2.888) 3.731 8.875 ( -3.806 1.707 0.889) 4.265 9.024 ( -0.596 0.934 -0.691) 1.306 9.330 ( -1.020 -0.669 0.198) 1.236 9.653 ( 0.987 0.747 0.253) 1.263 10.001 ( 0.343 -1.026 -0.593) 1.233 10.357 ( 1.184 -2.508 0.053) 2.774 10.573 ( 0.875 -1.127 0.324) 1.463 10.618 ( 2.955 -0.411 0.097) 2.985 10.728 ( -2.491 -3.046 -0.917) 4.040 10.899 ( -1.511 0.903 0.612) 1.864 10.991 ( -1.378 -2.629 0.840) 3.084 11.070 ( 4.583 3.274 -0.403) 5.647 11.090 ( -1.437 5.552 0.079) 5.735 11.226 ( 1.353 1.941 -0.525) 2.424 11.710 ( -0.596 0.992 0.304) 1.197 11.820 ( 0.212 1.822 0.067) 1.836 12.140 ( 1.360 -0.426 0.002) 1.425 12.176 ( 0.710 -0.197 -0.194) 0.762 12.804 ( 0.786 -2.350 0.095) 2.480 12.895 ( 2.029 -5.884 -0.562) 6.249 13.040 ( -3.344 7.850 0.648) 8.557 13.292 ( -1.202 2.375 -0.145) 2.666 16.062 ( 1.310 0.189 -0.675) 1.486 16.144 ( -0.746 1.230 0.663) 1.584 17.846 ( -1.640 -0.876 0.053) 1.860 18.175 ( -0.554 -1.313 -1.295) 1.926 18.404 ( -2.447 -7.343 2.155) 8.035 18.493 ( 6.575 4.996 1.883) 8.469 18.598 ( -2.757 3.101 -3.462) 5.404 19.109 ( 0.956 0.115 4.142) 4.253 19.194 ( 0.502 4.235 -3.768) 5.691 19.426 ( -0.686 0.599 0.432) 1.008 19.587 ( 0.242 3.060 -0.269) 3.082 20.162 ( 0.172 0.791 -0.016) 0.810 20.960 ( -0.437 -2.658 0.186) 2.700 21.669 ( 2.387 -3.995 0.028) 4.654 21.935 ( -0.562 3.229 -0.333) 3.294 22.053 ( -0.101 -0.396 1.310) 1.372 22.077 ( 0.877 -1.742 -2.175) 2.922 22.277 ( -1.405 2.665 1.500) 3.365 22.925 ( 2.509 -4.640 -1.495) 5.483 23.038 ( -2.635 2.735 1.280) 4.008 23.280 ( 0.041 -0.775 -0.302) 0.833 23.381 ( -2.574 -0.078 0.089) 2.577 ======================= Grid point 12 (7/102) ======================= q-point: ( 0.09 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 21.468 0.000 -0.009) 21.468 0.403 ( 26.400 0.000 2.927) 26.562 0.749 ( 49.046 0.000 4.169) 49.223 1.132 ( 7.840 0.000 -1.151) 7.924 1.200 ( 2.167 0.000 -12.514) 12.700 1.770 ( 3.954 0.000 10.175) 10.916 1.835 ( 12.822 0.000 5.329) 13.886 2.202 ( 10.287 0.000 -0.353) 10.293 2.238 ( 4.166 0.000 -12.198) 12.889 2.409 ( 4.776 0.000 -0.735) 4.833 2.622 ( 4.677 0.000 3.156) 5.643 2.714 ( -1.435 -0.000 -2.520) 2.899 2.878 ( -0.109 -0.000 0.116) 0.159 2.992 ( -4.863 -0.000 -1.691) 5.148 3.242 ( -2.972 -0.000 -2.779) 4.069 3.337 ( -9.005 -0.000 3.243) 9.571 3.393 ( 2.600 0.000 -7.861) 8.280 3.446 ( -0.669 -0.000 1.693) 1.820 3.485 ( 1.928 0.000 0.317) 1.954 3.630 ( 6.555 0.000 -5.893) 8.814 3.655 ( 3.711 0.000 -3.144) 4.864 3.792 ( -4.243 -0.000 1.421) 4.475 3.899 ( -3.415 -0.000 1.295) 3.652 3.964 ( 2.600 0.000 -1.311) 2.912 4.095 ( -1.471 -0.000 2.664) 3.044 4.419 ( -6.633 -0.000 3.538) 7.518 4.523 ( -5.809 -0.000 -0.903) 5.879 4.559 ( 0.103 0.000 -2.950) 2.952 4.752 ( -3.888 -0.000 0.198) 3.893 4.783 ( -2.222 -0.000 1.110) 2.484 4.821 ( 5.250 0.000 -1.663) 5.507 4.929 ( 0.976 0.000 4.420) 4.526 5.003 ( -3.056 -0.000 -14.637) 14.952 5.124 ( 4.119 0.000 -2.565) 4.852 5.182 ( 3.659 0.000 -6.131) 7.140 5.314 ( -12.702 -0.000 1.622) 12.805 5.391 ( -6.879 -0.000 3.826) 7.871 5.488 ( -5.969 -0.000 1.904) 6.265 5.568 ( -9.329 -0.000 -2.090) 9.560 5.827 ( -4.763 -0.000 2.754) 5.502 5.889 ( 5.233 0.000 -6.234) 8.140 6.000 ( 0.608 0.000 -11.765) 11.781 6.164 ( -9.403 -0.000 12.611) 15.730 6.319 ( 11.737 0.000 -2.677) 12.038 6.421 ( 2.181 0.000 2.098) 3.026 6.515 ( 4.352 0.000 -1.335) 4.552 6.734 ( 11.334 0.000 -1.020) 11.380 6.801 ( 7.370 0.000 1.131) 7.457 6.932 ( 9.340 0.000 -1.111) 9.406 7.409 ( 2.996 0.000 -1.715) 3.453 7.743 ( -0.169 -0.000 2.911) 2.916 7.963 ( 10.144 0.000 -35.070) 36.508 8.143 ( -7.072 -0.000 -2.278) 7.430 8.335 ( -19.353 -0.000 49.043) 52.723 8.386 ( 9.306 0.000 -4.268) 10.238 8.568 ( -9.429 -0.000 5.091) 10.715 8.779 ( 4.890 0.000 10.563) 11.640 8.856 ( 5.991 0.000 -10.408) 12.009 8.913 ( -7.746 -0.000 -2.012) 8.003 9.322 ( -0.711 -0.000 9.568) 9.595 9.478 ( 10.660 0.000 -7.879) 13.256 10.039 ( 0.422 0.000 -18.377) 18.382 10.082 ( 11.560 0.000 -43.440) 44.952 10.368 ( -11.940 -0.000 4.818) 12.876 10.541 ( -12.639 -0.000 3.054) 13.003 10.599 ( -1.407 -0.000 -8.902) 9.013 10.680 ( 0.960 0.000 -1.212) 1.546 10.703 ( 6.213 0.000 -0.491) 6.233 10.881 ( 8.913 0.000 -19.034) 21.017 11.082 ( 3.055 0.000 5.682) 6.452 11.185 ( 5.865 0.000 -0.117) 5.866 11.387 ( 12.122 0.000 3.352) 12.577 11.931 ( -4.100 -0.000 0.964) 4.212 11.975 ( -6.296 -0.000 0.107) 6.297 12.231 ( 13.596 0.000 -3.540) 14.050 12.668 ( -3.796 -0.000 -0.031) 3.796 12.685 ( 0.359 0.000 -0.898) 0.967 12.910 ( 8.542 0.000 -1.880) 8.746 13.609 ( -3.052 -0.000 0.101) 3.053 13.626 ( -1.504 -0.000 -1.413) 2.064 16.447 ( 12.597 0.000 -65.467) 66.668 16.519 ( -2.053 -0.000 11.057) 11.246 17.631 ( -0.351 -0.000 -0.435) 0.559 17.710 ( 3.835 0.000 -1.643) 4.172 18.068 ( 8.978 0.000 -2.170) 9.236 18.489 ( 4.646 0.000 -11.665) 12.556 19.381 ( -19.494 -0.000 15.538) 24.929 19.422 ( -14.008 -0.000 -1.034) 14.046 19.833 ( 11.159 0.000 -1.903) 11.320 19.877 ( 5.105 0.000 8.810) 10.182 20.141 ( -3.546 -0.000 2.209) 4.178 20.359 ( 4.549 0.000 3.347) 5.648 20.411 ( 13.458 0.000 -0.764) 13.480 21.310 ( 32.862 0.000 -101.649) 106.829 21.931 ( -0.823 -0.000 3.268) 3.370 21.945 ( 1.977 0.000 0.010) 1.977 21.988 ( -18.646 -0.000 62.193) 64.928 22.447 ( -0.004 -0.000 -0.150) 0.150 22.471 ( 1.505 0.000 -5.231) 5.443 22.845 ( -5.508 -0.000 2.346) 5.987 22.943 ( -1.969 -0.000 0.017) 1.969 23.035 ( -3.630 -0.000 0.297) 3.642 ======================= Grid point 13 (8/102) ======================= q-point: ( 0.18 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( 18.830 -11.003 -1.186) 21.842 0.742 ( 17.316 -15.182 7.097) 24.098 1.178 ( 5.509 -0.206 -1.600) 5.741 1.275 ( 33.341 -14.141 -1.691) 36.255 1.338 ( 15.007 -12.763 -6.157) 20.640 1.778 ( 9.248 4.502 0.259) 10.289 1.955 ( 13.678 -1.874 12.331) 18.510 2.171 ( 10.008 6.762 -8.246) 14.625 2.329 ( 5.629 -5.132 -2.659) 8.068 2.542 ( 4.124 -9.390 1.605) 10.381 2.674 ( -2.194 -1.842 6.414) 7.024 2.730 ( 4.854 -2.560 -6.744) 8.695 2.839 ( 3.236 1.891 0.200) 3.754 2.962 ( -2.437 0.544 -0.465) 2.540 3.170 ( -2.207 2.222 -2.857) 4.239 3.318 ( -5.167 -2.183 3.833) 6.794 3.333 ( -4.442 3.820 -0.001) 5.859 3.403 ( 2.360 3.917 -0.881) 4.657 3.552 ( -2.717 -4.738 2.143) 5.867 3.629 ( 4.118 -0.564 -5.123) 6.597 3.739 ( -1.969 1.943 -1.385) 3.093 3.804 ( -1.797 -5.341 -2.399) 6.125 3.869 ( -2.850 0.219 1.240) 3.115 3.942 ( 0.118 4.128 -0.305) 4.141 4.094 ( -1.661 0.082 4.544) 4.838 4.322 ( -7.943 4.168 3.338) 9.571 4.451 ( -3.477 3.483 -0.518) 4.949 4.549 ( 0.396 -0.290 -4.873) 4.898 4.609 ( -3.663 6.805 0.042) 7.728 4.694 ( -3.762 6.405 -0.789) 7.470 4.819 ( 3.208 4.029 0.349) 5.162 4.991 ( 1.673 -3.068 0.501) 3.530 5.005 ( -2.035 -4.069 -4.190) 6.185 5.109 ( 3.766 4.225 -3.934) 6.892 5.182 ( -7.608 0.707 2.835) 8.150 5.288 ( -6.127 -6.422 -3.327) 9.479 5.352 ( -7.095 -0.479 3.348) 7.860 5.457 ( -9.858 -2.119 0.275) 10.086 5.535 ( -6.799 -3.155 0.001) 7.495 5.764 ( -1.387 4.716 0.895) 4.997 5.940 ( 2.445 2.163 -3.496) 4.783 5.951 ( 0.950 -3.980 -0.547) 4.129 6.097 ( -0.003 1.786 3.791) 4.190 6.327 ( -3.696 2.774 -0.991) 4.727 6.446 ( 12.132 2.838 1.484) 12.548 6.583 ( 8.145 -2.367 -2.323) 8.794 6.767 ( 7.544 0.357 -0.055) 7.553 6.937 ( 1.403 -3.505 7.203) 8.133 7.063 ( 14.210 -3.458 -5.724) 15.705 7.464 ( 4.943 -3.299 -1.591) 6.152 7.725 ( 4.443 5.254 2.429) 7.297 7.858 ( 6.807 11.033 -13.950) 19.043 8.060 ( -6.090 2.886 -1.900) 7.002 8.208 ( -2.433 2.905 13.290) 13.820 8.354 ( 3.006 8.056 -0.178) 8.600 8.570 ( -8.429 -1.080 2.844) 8.961 8.746 ( -4.043 3.105 9.898) 11.134 8.906 ( 2.026 -2.249 -7.803) 8.370 8.939 ( 7.270 -3.822 -0.867) 8.259 9.284 ( 0.044 6.358 3.533) 7.274 9.474 ( 16.751 15.269 -11.997) 25.646 9.600 ( 13.769 10.051 -11.763) 20.712 10.060 ( 2.718 1.809 -1.732) 3.696 10.289 ( -12.257 4.096 5.824) 14.175 10.457 ( -10.973 -1.535 1.693) 11.208 10.610 ( -3.007 0.273 -1.007) 3.183 10.652 ( -1.868 -1.046 -0.981) 2.355 10.795 ( 4.332 2.829 -6.969) 8.679 10.942 ( 3.867 -7.856 0.016) 8.756 11.206 ( 5.928 1.147 1.706) 6.274 11.255 ( 1.963 -6.538 -2.465) 7.258 11.474 ( 9.044 0.706 4.363) 10.066 11.884 ( -5.423 1.342 0.096) 5.587 11.948 ( -5.319 -1.884 -0.301) 5.651 12.281 ( 15.723 6.143 -1.469) 16.944 12.532 ( 12.675 16.181 -1.010) 20.579 12.675 ( 0.243 1.327 -0.292) 1.380 12.740 ( 5.929 6.884 0.966) 9.136 13.583 ( -1.638 2.737 -0.245) 3.199 13.626 ( -7.132 -0.184 0.045) 7.135 16.219 ( 8.336 10.382 -17.923) 22.328 16.498 ( -1.957 5.611 7.434) 9.517 17.640 ( -1.604 -2.706 0.072) 3.146 17.789 ( 6.051 -4.152 -1.895) 7.579 17.916 ( 5.945 4.962 1.417) 7.872 18.720 ( 6.394 -5.557 -7.105) 11.057 19.208 ( -10.807 3.001 2.720) 11.541 19.522 ( -17.562 -11.195 -0.781) 20.842 19.747 ( 9.331 15.912 -1.113) 18.479 19.891 ( -3.386 5.188 -2.450) 6.663 19.957 ( 5.116 9.118 10.298) 14.676 20.279 ( 9.179 10.671 3.348) 14.468 20.566 ( 14.647 -2.186 -0.087) 14.809 21.038 ( 21.007 5.988 -20.450) 29.923 21.726 ( 1.274 -2.820 10.002) 10.469 21.930 ( 2.043 1.454 -1.181) 2.772 22.378 ( -0.578 4.912 -1.021) 5.050 22.498 ( -4.750 -5.367 6.463) 9.651 22.575 ( -3.260 -5.735 -4.733) 8.119 22.947 ( -4.939 -6.162 -2.299) 8.225 23.045 ( -4.935 -4.312 1.136) 6.651 23.118 ( -22.179 -24.050 -2.654) 32.823 ======================= Grid point 14 (9/102) ======================= q-point: ( 0.27 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 15.965 -13.166 -0.967) 20.716 1.123 ( 9.237 -6.831 9.749) 15.068 1.209 ( 4.914 -8.722 3.842) 10.723 1.528 ( 13.294 -2.987 -13.787) 19.384 1.817 ( 19.743 -13.385 -2.894) 24.027 1.870 ( 14.195 -6.709 1.445) 15.767 2.134 ( 10.107 -2.633 4.882) 11.529 2.170 ( 15.017 -4.576 -2.724) 15.933 2.430 ( 4.368 -2.739 -4.187) 6.642 2.690 ( -5.444 -2.642 6.107) 8.597 2.728 ( 2.809 -3.885 2.832) 5.568 2.811 ( 0.237 -1.139 2.831) 3.061 2.871 ( 4.795 -4.901 -1.643) 7.050 2.976 ( 7.350 -2.388 -2.712) 8.190 3.158 ( -2.323 -2.820 -4.143) 5.523 3.220 ( -4.924 3.620 0.536) 6.135 3.325 ( -3.583 -0.431 4.255) 5.579 3.337 ( -1.050 3.786 -0.956) 4.043 3.607 ( -4.188 -3.661 -0.295) 5.571 3.640 ( 1.562 0.720 -1.981) 2.624 3.668 ( -2.296 3.906 -0.154) 4.534 3.804 ( -0.032 5.609 -2.369) 6.089 3.832 ( -3.069 -1.337 -0.855) 3.455 3.876 ( -4.999 -0.017 0.021) 4.999 4.042 ( -5.564 4.657 6.990) 10.075 4.197 ( -4.604 4.827 0.785) 6.717 4.391 ( 0.927 6.889 -0.883) 7.007 4.450 ( -5.548 1.068 -0.362) 5.661 4.539 ( -4.770 0.213 -1.258) 4.938 4.663 ( 2.859 -4.013 -4.053) 6.380 4.765 ( 1.260 3.526 1.966) 4.229 4.983 ( 1.878 3.503 -4.106) 5.714 5.064 ( -2.838 2.134 5.624) 6.651 5.085 ( -6.540 -0.329 1.960) 6.836 5.112 ( 1.710 -4.964 -6.482) 8.341 5.280 ( -8.625 1.092 1.511) 8.824 5.381 ( -5.224 -5.136 -1.767) 7.536 5.431 ( -6.159 -2.650 -0.583) 6.730 5.551 ( -5.337 -3.409 2.117) 6.677 5.685 ( 0.715 3.229 0.767) 3.395 5.969 ( 1.840 -1.704 0.649) 2.591 6.021 ( 1.458 -3.505 -1.470) 4.071 6.098 ( 1.558 -0.756 2.552) 3.084 6.253 ( -0.457 2.736 -1.275) 3.053 6.480 ( 11.229 3.192 1.036) 11.720 6.678 ( 8.269 -1.553 -2.824) 8.875 6.810 ( 3.208 -0.441 0.946) 3.373 6.987 ( 3.036 1.004 6.257) 7.027 7.166 ( 8.902 0.428 -2.709) 9.315 7.484 ( 6.186 12.352 -1.042) 13.854 7.633 ( 11.400 3.301 -4.450) 12.676 7.766 ( -2.649 0.787 -0.092) 2.765 7.972 ( -3.644 2.025 0.827) 4.250 8.218 ( 5.925 4.621 -5.816) 9.502 8.271 ( 2.760 -1.025 1.682) 3.390 8.441 ( -9.073 6.509 2.331) 11.407 8.695 ( -6.045 2.248 9.541) 11.517 8.902 ( -0.963 2.016 -2.232) 3.158 9.039 ( 5.981 0.865 -6.937) 9.200 9.181 ( 3.698 3.175 0.401) 4.890 9.320 ( 0.039 7.367 1.332) 7.487 9.633 ( 10.400 -0.598 -6.623) 12.345 10.050 ( 1.726 2.258 0.667) 2.920 10.139 ( -6.908 2.667 3.929) 8.383 10.443 ( -7.079 -3.513 3.313) 8.569 10.587 ( 0.862 0.999 -0.402) 1.379 10.650 ( -4.277 -2.005 -5.120) 6.966 10.784 ( 2.599 0.524 -0.578) 2.714 11.073 ( 5.493 -3.196 -0.608) 6.384 11.213 ( 6.941 3.480 1.670) 7.942 11.334 ( 2.795 -0.716 -0.495) 2.927 11.492 ( 4.481 3.912 2.604) 6.494 11.826 ( -4.002 1.026 0.030) 4.132 11.943 ( -4.503 -1.331 -0.490) 4.721 12.240 ( 12.903 9.272 -0.380) 15.893 12.390 ( 16.542 12.595 -0.177) 20.792 12.650 ( -0.478 0.515 -0.312) 0.769 12.711 ( -1.697 -0.801 0.327) 1.905 13.494 ( -2.317 5.855 0.278) 6.303 13.535 ( -7.026 3.653 -0.004) 7.918 16.122 ( 3.013 3.662 -6.240) 7.838 16.373 ( -3.050 6.881 4.878) 8.969 17.690 ( -3.842 -4.683 0.110) 6.058 17.914 ( 6.974 -4.982 -1.472) 8.696 17.981 ( 4.809 -5.199 1.136) 7.173 18.743 ( 4.903 4.395 -2.463) 7.030 19.071 ( -9.928 5.368 1.127) 11.343 19.464 ( 2.709 13.872 -0.211) 14.135 19.541 ( 1.806 5.903 1.077) 6.266 19.672 ( -4.202 10.246 -2.676) 11.393 19.967 ( -7.774 -2.549 -1.512) 8.319 20.165 ( 6.242 8.619 5.905) 12.170 20.706 ( 15.008 -1.677 0.150) 15.103 21.196 ( 12.009 -8.911 -6.172) 16.177 21.841 ( 1.499 -5.988 5.166) 8.049 21.935 ( 2.764 -0.683 -1.488) 3.213 22.271 ( -1.350 6.031 -0.978) 6.257 22.518 ( -6.208 1.188 6.460) 9.038 22.614 ( 2.909 -3.615 -5.619) 7.287 23.016 ( -3.971 -5.344 -1.308) 6.785 23.104 ( -4.657 -5.644 1.633) 7.497 23.262 ( -17.258 -11.108 -1.963) 20.617 ======================= Grid point 15 (10/102) ======================= q-point: ( 0.36 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 9.261 -4.382 2.740) 10.606 1.247 ( 11.598 -10.268 -1.901) 15.607 1.539 ( 7.123 -11.417 6.013) 14.739 1.603 ( 9.117 -3.812 -7.812) 12.597 2.023 ( 3.000 -3.823 -1.140) 4.992 2.081 ( 9.775 -8.006 0.119) 12.636 2.328 ( 8.396 -7.355 -1.000) 11.206 2.410 ( 3.781 -2.062 -0.103) 4.307 2.496 ( 12.142 -5.835 0.073) 13.472 2.684 ( 5.450 3.897 -0.710) 6.737 2.735 ( -4.544 -3.041 5.621) 7.842 2.845 ( -3.506 -0.375 2.478) 4.310 3.001 ( 4.396 -2.258 -1.498) 5.164 3.064 ( 6.086 -1.124 -2.220) 6.575 3.189 ( -5.287 -2.051 1.979) 6.007 3.197 ( -1.783 -6.693 -2.718) 7.440 3.274 ( -0.682 1.161 -1.890) 2.321 3.301 ( 0.165 1.342 1.809) 2.259 3.573 ( 2.663 4.683 -3.170) 6.250 3.601 ( -4.969 1.543 2.156) 5.632 3.645 ( -0.940 0.493 0.947) 1.422 3.713 ( -2.501 0.620 -1.728) 3.102 3.825 ( -4.280 1.697 2.420) 5.201 3.856 ( -2.613 -0.701 -0.507) 2.752 3.959 ( -0.298 0.265 2.775) 2.803 4.105 ( -3.991 1.312 -1.903) 4.612 4.226 ( -2.016 7.015 0.138) 7.300 4.452 ( -3.464 0.190 -2.095) 4.053 4.492 ( -6.199 -0.560 1.888) 6.504 4.721 ( -4.024 0.509 3.443) 5.320 4.779 ( 5.191 -3.899 -4.428) 7.859 4.927 ( 1.241 3.044 -2.712) 4.261 4.965 ( -8.308 0.443 3.437) 9.001 5.113 ( -3.230 -1.230 -0.560) 3.501 5.170 ( 4.456 0.130 -3.567) 5.709 5.227 ( -5.579 -3.412 -0.307) 6.547 5.386 ( -4.923 -0.690 2.069) 5.384 5.463 ( -2.414 -3.911 0.838) 4.672 5.595 ( -2.203 -4.060 -0.800) 4.688 5.664 ( 0.267 0.292 1.075) 1.145 5.954 ( -2.190 2.924 1.253) 3.862 6.095 ( 0.552 -3.126 0.555) 3.223 6.174 ( 3.752 -4.451 -0.412) 5.836 6.245 ( 7.472 -0.067 -1.633) 7.649 6.505 ( 10.207 3.101 1.399) 10.760 6.722 ( 3.711 2.176 -1.595) 4.588 6.829 ( 3.419 0.891 -0.187) 3.539 6.985 ( 1.063 1.999 6.784) 7.152 7.179 ( 3.828 2.995 -1.126) 4.989 7.257 ( 7.756 14.759 -4.548) 17.282 7.659 ( 2.624 1.187 -2.175) 3.609 7.732 ( -5.635 -0.106 0.924) 5.712 7.955 ( 1.846 0.218 1.447) 2.355 8.133 ( 6.512 7.611 -4.447) 10.959 8.260 ( -0.263 7.267 -1.319) 7.390 8.379 ( 0.538 -4.748 2.671) 5.474 8.619 ( -7.122 2.139 6.808) 10.082 8.829 ( 0.355 4.930 -2.297) 5.450 8.961 ( -6.624 3.468 -1.723) 7.673 9.140 ( -1.060 7.276 -1.404) 7.486 9.270 ( 1.884 -2.898 0.871) 3.565 9.700 ( 7.670 0.248 -3.756) 8.544 9.994 ( -0.081 2.414 2.786) 3.688 10.169 ( 0.491 -5.414 0.183) 5.439 10.487 ( -4.273 -5.029 4.510) 7.993 10.582 ( 2.096 0.796 -0.402) 2.278 10.640 ( -3.679 -1.564 -6.252) 7.421 10.805 ( 0.387 -1.426 1.505) 2.109 11.133 ( 8.345 2.230 -1.034) 8.700 11.192 ( 5.359 4.365 1.741) 7.127 11.310 ( 0.149 4.665 -0.390) 4.684 11.434 ( 5.696 6.280 0.863) 8.522 11.780 ( -2.476 1.937 0.626) 3.206 11.920 ( -2.886 1.012 -0.358) 3.080 12.182 ( 7.683 5.161 -0.255) 9.259 12.295 ( 11.917 9.984 -0.038) 15.546 12.672 ( -0.127 -3.302 0.125) 3.307 12.736 ( -1.325 -3.199 -0.325) 3.477 13.340 ( -4.376 8.379 0.190) 9.455 13.423 ( -5.244 3.871 0.226) 6.522 16.086 ( 0.680 1.200 -2.815) 3.135 16.251 ( -3.692 4.860 2.532) 6.608 17.745 ( -2.503 -4.139 0.007) 4.837 18.045 ( 3.924 -4.843 -1.603) 6.436 18.124 ( 3.301 -6.921 1.479) 7.809 18.678 ( 3.945 5.391 -0.495) 6.699 18.871 ( -6.713 9.627 0.492) 11.747 19.274 ( 4.792 9.958 0.779) 11.078 19.434 ( -0.190 7.549 -0.406) 7.562 19.513 ( -1.517 4.645 -0.163) 4.889 19.867 ( 0.297 8.785 -3.497) 9.460 20.113 ( -7.783 -1.245 3.167) 8.494 20.847 ( 13.700 -2.220 0.481) 13.887 21.422 ( 6.974 -8.878 -1.897) 11.448 21.947 ( 1.085 -4.005 -0.018) 4.150 21.987 ( 2.332 -2.642 1.481) 3.823 22.149 ( -1.758 6.060 -0.835) 6.365 22.430 ( -4.810 4.392 3.066) 7.199 22.717 ( 3.358 -5.942 -2.930) 7.428 23.057 ( -3.819 -2.450 0.349) 4.550 23.175 ( -2.923 -5.126 0.405) 5.914 23.295 ( -11.646 -5.759 -0.644) 13.008 ======================= Grid point 16 (11/102) ======================= q-point: ( 0.45 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 7.891 -0.184 -6.377) 10.147 1.431 ( 10.066 -8.800 -3.015) 13.706 1.686 ( 7.156 -6.234 0.719) 9.518 1.843 ( 3.148 -10.251 7.032) 12.824 2.087 ( -3.523 -2.389 1.707) 4.586 2.233 ( 3.706 -1.144 5.381) 6.633 2.339 ( 0.213 4.211 -1.397) 4.442 2.461 ( 5.487 -2.183 -4.445) 7.391 2.621 ( -6.620 -1.956 0.384) 6.913 2.731 ( 1.848 -3.436 3.552) 5.276 2.780 ( 10.088 -0.396 -4.687) 11.131 2.804 ( -3.810 -0.557 0.454) 3.877 3.023 ( 4.844 0.099 -0.294) 4.854 3.094 ( -1.849 -0.277 -1.610) 2.467 3.194 ( 0.025 -1.064 0.678) 1.262 3.240 ( -2.488 1.845 -1.160) 3.307 3.311 ( 2.497 -1.575 -0.381) 2.977 3.342 ( 1.945 -3.050 1.204) 3.813 3.489 ( -2.268 4.764 4.965) 7.245 3.556 ( 2.576 1.006 -2.430) 3.681 3.606 ( 0.322 0.986 -2.350) 2.569 3.726 ( -1.987 -0.497 2.106) 2.938 3.768 ( -1.878 0.945 -0.801) 2.250 3.860 ( -4.232 -3.736 3.273) 6.525 3.980 ( -0.328 -0.144 -3.110) 3.131 4.123 ( 1.432 -5.574 -2.669) 6.344 4.151 ( -0.975 0.529 -1.297) 1.707 4.373 ( -8.012 2.741 0.288) 8.473 4.477 ( -3.793 -1.041 3.353) 5.169 4.685 ( -4.650 0.365 3.722) 5.967 4.794 ( -5.218 0.832 0.254) 5.290 4.936 ( 3.136 -1.939 -4.250) 5.626 4.954 ( 1.418 -1.200 1.008) 2.113 5.062 ( -5.021 0.829 -3.080) 5.949 5.227 ( 7.303 -0.763 0.222) 7.346 5.270 ( -3.697 -3.502 -1.535) 5.319 5.360 ( -2.474 -0.638 2.846) 3.825 5.540 ( 2.643 -4.299 0.367) 5.060 5.633 ( -3.631 -2.331 -1.266) 4.497 5.663 ( -1.410 -0.010 1.150) 1.819 5.877 ( -0.277 4.143 0.993) 4.270 6.141 ( -1.659 -2.381 1.691) 3.359 6.256 ( 2.011 -3.441 -2.621) 4.770 6.350 ( 11.603 -1.700 -1.942) 11.887 6.530 ( 7.596 1.639 2.041) 8.034 6.624 ( -1.810 8.842 1.842) 9.212 6.833 ( 2.205 1.410 -1.474) 3.004 6.951 ( -0.239 5.850 2.886) 6.528 7.046 ( 1.971 6.477 -3.700) 7.715 7.184 ( 0.911 1.266 0.920) 1.810 7.630 ( -0.931 1.667 -1.885) 2.683 7.694 ( -7.614 -0.955 1.928) 7.912 7.949 ( -0.512 2.105 -0.665) 2.266 8.035 ( 4.928 5.894 -2.155) 7.979 8.190 ( 9.119 4.772 -3.548) 10.886 8.392 ( -4.547 4.211 9.740) 11.544 8.602 ( -0.242 -4.057 -3.952) 5.669 8.746 ( -0.614 3.460 1.475) 3.811 8.862 ( -6.432 1.235 0.333) 6.558 9.029 ( -3.866 1.730 -1.649) 4.545 9.337 ( 5.797 -0.690 -0.537) 5.863 9.704 ( 3.260 2.858 -0.327) 4.348 9.995 ( 2.355 -0.506 0.057) 2.409 10.285 ( 0.461 -6.337 -0.243) 6.359 10.555 ( -2.425 -2.615 3.681) 5.125 10.592 ( 0.326 -1.460 0.082) 1.499 10.634 ( -3.124 -2.934 -4.036) 5.887 10.843 ( -1.442 -2.676 1.213) 3.273 11.092 ( 5.451 7.768 -1.966) 9.691 11.145 ( 4.041 4.896 1.234) 6.467 11.223 ( 1.592 4.690 1.570) 5.195 11.361 ( 8.119 7.981 -0.971) 11.426 11.729 ( -1.646 1.847 0.334) 2.496 11.862 ( -2.102 3.085 0.011) 3.733 12.171 ( 4.522 1.538 -0.061) 4.777 12.224 ( 5.125 5.013 -0.213) 7.172 12.749 ( 0.751 -4.426 0.241) 4.496 12.806 ( 0.871 -5.175 -0.560) 5.278 13.156 ( -4.556 8.341 -0.041) 9.505 13.324 ( -4.241 3.346 0.543) 5.430 16.070 ( -0.339 0.362 -1.921) 1.984 16.163 ( -3.690 2.428 1.771) 4.759 17.799 ( -0.320 -3.164 -0.038) 3.181 18.121 ( -0.923 -3.057 -1.230) 3.422 18.269 ( 1.443 -6.807 1.701) 7.163 18.623 ( 2.224 3.436 -1.401) 4.326 18.677 ( -0.283 8.733 0.417) 8.748 19.175 ( 2.918 4.986 3.287) 6.646 19.312 ( 1.895 6.787 -2.482) 7.471 19.449 ( -0.060 2.205 0.447) 2.251 19.699 ( 1.068 9.279 -1.620) 9.480 20.083 ( -12.132 -3.191 0.555) 12.557 20.977 ( 12.726 -1.103 0.480) 12.782 21.590 ( 2.578 -6.430 -0.371) 6.937 21.990 ( -0.240 1.687 -0.666) 1.829 22.040 ( 1.096 -1.951 -2.436) 3.308 22.054 ( -1.065 1.366 1.984) 2.634 22.328 ( -3.150 4.069 2.511) 5.726 22.846 ( 3.549 -6.081 -2.308) 7.409 23.050 ( -3.130 0.434 1.030) 3.323 23.235 ( -2.236 -3.439 0.295) 4.113 23.313 ( -6.055 -4.153 -0.327) 7.350 ======================= Grid point 17 (12/102) ======================= q-point: ( 0.55 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 6.030 4.039 -4.765) 8.682 1.625 ( 4.946 -3.522 -1.025) 6.158 1.834 ( 2.480 -5.679 -3.098) 6.928 1.968 ( -0.440 2.421 7.477) 7.871 2.043 ( -8.772 1.393 6.878) 11.234 2.164 ( 3.064 5.384 -1.955) 6.496 2.334 ( 0.298 -0.375 1.576) 1.647 2.489 ( 0.599 -0.051 -4.226) 4.269 2.637 ( -5.340 -4.857 0.312) 7.225 2.688 ( -0.482 1.972 -0.815) 2.187 2.848 ( 0.103 -3.429 -0.278) 3.442 2.950 ( 8.514 -3.566 -1.493) 9.351 3.014 ( -2.715 0.337 -0.076) 2.737 3.096 ( 0.546 -0.441 -0.459) 0.838 3.163 ( -1.506 3.275 1.237) 3.810 3.191 ( -0.989 7.465 0.251) 7.534 3.227 ( 2.135 0.995 -0.687) 2.454 3.373 ( 1.218 -0.274 -1.093) 1.659 3.515 ( -1.956 1.847 1.798) 3.236 3.528 ( 1.188 -3.923 0.229) 4.106 3.652 ( 4.746 -0.010 -2.343) 5.293 3.695 ( -1.852 3.196 -0.265) 3.703 3.735 ( -5.138 -2.796 4.351) 7.290 3.917 ( -1.646 -2.159 0.170) 2.720 4.013 ( 0.060 -5.644 -3.760) 6.782 4.115 ( -1.736 4.073 0.636) 4.473 4.247 ( 4.671 -4.137 -3.208) 7.015 4.293 ( -6.042 -1.822 1.183) 6.421 4.497 ( -0.535 -2.928 1.735) 3.445 4.667 ( -4.249 -0.999 3.396) 5.531 4.727 ( -7.294 0.974 1.223) 7.460 4.988 ( 5.674 -2.458 -6.407) 8.905 4.997 ( 0.743 1.632 -2.624) 3.178 5.039 ( 1.751 -2.944 4.289) 5.489 5.211 ( 0.304 4.562 -0.218) 4.578 5.324 ( 7.216 -2.153 -0.817) 7.575 5.427 ( -2.640 -6.016 1.855) 6.827 5.606 ( -5.431 0.963 2.114) 5.907 5.635 ( 2.877 -2.222 1.018) 3.775 5.642 ( -1.552 -0.052 -2.355) 2.821 5.828 ( 2.370 2.497 -0.423) 3.469 6.159 ( -1.762 -0.575 1.359) 2.298 6.312 ( -0.959 -1.311 -1.413) 2.153 6.372 ( -1.129 4.193 -0.274) 4.351 6.462 ( 1.376 6.284 -0.363) 6.443 6.563 ( 1.875 2.190 1.743) 3.369 6.764 ( 0.278 4.610 0.420) 4.638 6.853 ( 0.445 2.284 -2.084) 3.124 7.010 ( -4.454 -0.896 -0.801) 4.613 7.160 ( -1.416 2.195 1.867) 3.211 7.591 ( -2.911 0.497 -0.130) 2.955 7.695 ( -3.271 -4.204 0.833) 5.391 7.898 ( -4.336 0.307 -0.701) 4.402 7.976 ( 4.218 5.040 -4.088) 7.739 8.128 ( 0.406 7.561 5.634) 9.438 8.342 ( 4.628 -1.009 -4.651) 6.638 8.684 ( 3.013 -2.823 -1.685) 4.460 8.707 ( -3.030 0.276 7.115) 7.738 8.853 ( 1.251 -2.587 -0.618) 2.940 9.008 ( -0.679 -1.061 -1.826) 2.219 9.375 ( 6.564 1.204 -0.543) 6.695 9.669 ( 1.043 2.452 -0.416) 2.697 10.019 ( 1.919 0.076 0.701) 2.044 10.361 ( -0.889 -1.867 -0.840) 2.232 10.541 ( -5.177 0.107 0.163) 5.180 10.612 ( 0.005 -0.258 -0.598) 0.652 10.707 ( -2.670 -5.967 1.441) 6.694 10.864 ( -2.734 -1.149 -0.156) 2.969 10.998 ( -0.364 2.719 0.130) 2.747 11.111 ( 6.946 3.185 -0.577) 7.663 11.155 ( 4.919 6.434 1.723) 8.280 11.276 ( 5.395 6.325 -1.319) 8.417 11.703 ( -0.346 0.135 -0.209) 0.426 11.804 ( -2.287 1.068 0.102) 2.526 12.169 ( 2.349 2.261 0.109) 3.262 12.191 ( 1.278 1.453 -0.083) 1.937 12.813 ( 0.379 -1.501 0.036) 1.548 12.922 ( 1.468 -6.180 -0.199) 6.355 12.994 ( -2.490 6.128 -0.555) 6.638 13.264 ( -2.615 -0.040 0.813) 2.739 16.052 ( -2.019 0.458 -1.014) 2.306 16.126 ( -2.036 -0.381 0.918) 2.266 17.850 ( 2.132 -1.827 -0.074) 2.809 18.152 ( -2.735 -2.723 0.138) 3.862 18.378 ( -1.196 -4.473 1.272) 4.802 18.532 ( -1.114 5.390 -3.709) 6.637 18.611 ( 4.925 2.271 1.706) 5.686 19.141 ( 0.730 3.409 5.044) 6.131 19.211 ( 3.875 4.348 -4.012) 7.072 19.441 ( 2.894 0.304 -0.233) 2.919 19.576 ( -1.857 3.325 -0.315) 3.822 20.059 ( -12.545 -4.454 0.021) 13.312 21.061 ( 12.256 2.423 0.240) 12.496 21.674 ( -1.750 -1.860 0.018) 2.554 21.921 ( -1.177 2.140 -0.317) 2.462 22.055 ( -0.443 -0.144 1.515) 1.585 22.078 ( 0.547 -1.523 -2.548) 3.019 22.265 ( -1.079 1.279 1.648) 2.349 22.954 ( 1.999 -2.384 -1.408) 3.415 23.012 ( -1.155 0.498 0.633) 1.408 23.264 ( -2.312 -1.786 0.838) 3.039 23.357 ( -0.520 -3.487 -0.480) 3.558 ======================= Grid point 18 (13/102) ======================= q-point: (-0.36 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 2.043 3.100 1.158) 3.889 1.539 ( -2.018 13.588 1.492) 13.818 1.758 ( -3.913 13.264 -2.795) 14.109 1.848 ( -1.793 4.232 0.262) 4.603 2.102 ( 0.422 -7.078 -2.611) 7.556 2.140 ( -4.630 -1.476 5.202) 7.119 2.313 ( 2.267 4.683 -1.517) 5.419 2.480 ( -2.136 0.267 -1.117) 2.425 2.648 ( -4.943 2.241 4.194) 6.859 2.690 ( -2.661 -0.896 -2.590) 3.819 2.724 ( -3.294 11.916 -0.077) 12.363 2.914 ( 1.123 0.619 -1.184) 1.746 3.066 ( -0.583 5.823 3.172) 6.657 3.115 ( -1.538 -3.308 0.481) 3.679 3.143 ( 3.788 -3.931 -2.069) 5.838 3.210 ( 0.536 -2.004 -1.211) 2.402 3.231 ( 0.869 -4.450 -0.997) 4.642 3.384 ( 2.541 0.196 -2.201) 3.367 3.477 ( -1.133 0.943 -0.719) 1.640 3.574 ( -2.269 2.761 6.646) 7.546 3.606 ( 4.213 -1.931 -3.082) 5.565 3.702 ( 2.938 -0.759 -3.517) 4.645 3.776 ( -1.148 -2.005 4.907) 5.423 3.926 ( -2.991 -1.482 -3.821) 5.074 4.008 ( -2.775 4.609 2.772) 6.052 4.079 ( 0.978 -0.709 -0.968) 1.548 4.284 ( -1.087 -0.959 5.964) 6.138 4.359 ( 2.485 -3.939 -4.932) 6.784 4.564 ( -1.728 -2.304 -2.622) 3.895 4.663 ( -5.554 -4.697 3.861) 8.236 4.706 ( 2.984 -0.137 -0.428) 3.017 4.952 ( 0.345 2.142 -3.910) 4.472 5.074 ( 5.875 -2.539 -2.949) 7.047 5.098 ( -0.052 0.674 3.254) 3.323 5.174 ( 6.197 0.619 1.908) 6.514 5.417 ( 6.106 -3.035 -2.297) 7.195 5.458 ( -1.359 1.529 2.364) 3.126 5.542 ( -4.399 2.810 2.464) 5.772 5.634 ( -3.161 -3.281 -1.836) 4.912 5.677 ( 0.583 1.603 1.686) 2.398 5.828 ( 3.117 -1.466 -2.927) 4.521 6.137 ( -1.269 2.344 0.420) 2.698 6.231 ( -7.768 2.091 2.666) 8.475 6.259 ( -2.579 7.186 -1.456) 7.773 6.428 ( -3.239 4.662 2.372) 6.153 6.483 ( -2.210 -2.878 -3.662) 5.156 6.748 ( -3.056 1.476 2.177) 4.032 6.842 ( 0.615 -1.808 -2.463) 3.116 6.998 ( -5.218 -2.236 1.354) 5.836 7.088 ( -3.615 3.668 0.033) 5.150 7.573 ( -3.046 -0.684 -0.252) 3.132 7.797 ( 0.585 -7.134 1.974) 7.426 7.887 ( -1.467 -1.183 -3.660) 4.117 7.915 ( -1.072 0.280 -2.165) 2.432 8.017 ( -2.069 4.670 7.452) 9.035 8.417 ( 6.007 -2.232 -9.486) 11.448 8.703 ( 0.519 -0.944 7.508) 7.585 8.751 ( 2.207 -1.886 0.027) 2.903 8.947 ( 5.884 -4.055 -0.250) 7.150 9.032 ( 0.726 -1.624 -0.933) 2.009 9.394 ( 6.895 1.961 -0.917) 7.227 9.636 ( -1.429 1.093 -0.339) 1.831 10.018 ( 2.144 1.915 1.239) 3.130 10.327 ( -3.089 3.786 -0.457) 4.908 10.500 ( -7.295 -0.846 0.919) 7.402 10.585 ( -0.139 2.470 -1.477) 2.881 10.759 ( 0.605 -0.691 0.658) 1.130 10.887 ( -2.666 -3.495 -0.080) 4.396 10.983 ( -5.103 -2.263 1.302) 5.732 11.064 ( 5.827 7.110 -1.427) 9.303 11.154 ( 5.415 -1.761 0.056) 5.694 11.244 ( 3.502 0.326 0.252) 3.526 11.718 ( 0.559 -1.717 -0.120) 1.809 11.798 ( -2.269 -2.321 -0.451) 3.277 12.131 ( 0.024 2.809 0.057) 2.809 12.172 ( -0.042 1.525 0.235) 1.544 12.791 ( -0.927 3.334 0.236) 3.469 12.873 ( -1.108 4.217 -0.020) 4.360 13.076 ( 1.914 -8.097 -1.063) 8.387 13.303 ( 0.163 -4.744 0.875) 4.827 16.026 ( -3.301 -0.008 0.256) 3.311 16.142 ( -0.665 -2.156 -0.305) 2.277 17.896 ( 5.207 -0.547 -0.279) 5.243 18.178 ( -1.994 -1.256 2.367) 3.340 18.392 ( -4.749 -0.051 -1.497) 4.979 18.416 ( 0.424 7.326 -2.886) 7.885 18.670 ( 4.558 -4.802 3.144) 7.329 19.068 ( -2.738 1.414 -2.429) 3.924 19.235 ( 4.169 -1.647 2.014) 4.914 19.439 ( 0.130 1.114 -0.227) 1.144 19.591 ( 2.112 -4.892 -0.172) 5.331 20.059 ( -12.093 -5.659 0.044) 13.352 21.068 ( 12.402 6.936 -0.139) 14.210 21.602 ( -6.874 5.809 0.086) 9.000 21.943 ( 0.428 -4.201 0.143) 4.225 22.048 ( -0.125 1.033 -0.777) 1.298 22.071 ( -0.993 1.885 1.277) 2.484 22.292 ( 1.132 -4.067 -0.915) 4.320 22.899 ( -1.676 5.258 1.023) 5.613 23.071 ( 2.443 -3.322 -1.321) 4.330 23.272 ( -1.054 -0.342 0.828) 1.383 23.421 ( 2.695 -2.975 -0.218) 4.020 ======================= Grid point 19 (14/102) ======================= q-point: (-0.27 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -4.693 14.722 1.708) 15.546 1.287 ( -1.785 9.028 0.774) 9.236 1.509 ( -3.064 9.988 0.375) 10.455 1.723 ( -0.893 7.832 0.188) 7.885 2.027 ( -4.561 6.351 -0.421) 7.830 2.178 ( 1.689 11.280 -3.640) 11.973 2.319 ( -1.472 -10.649 -1.733) 10.889 2.328 ( -9.166 11.168 1.417) 14.517 2.394 ( -3.461 16.206 0.218) 16.572 2.606 ( -2.812 0.785 4.210) 5.123 2.752 ( -0.078 -3.172 -2.737) 4.190 2.892 ( -4.525 3.717 0.396) 5.870 2.972 ( 0.585 4.975 1.209) 5.153 3.048 ( -2.540 3.562 1.611) 4.662 3.237 ( 0.685 -3.609 0.161) 3.677 3.247 ( -0.944 -0.194 -1.937) 2.163 3.340 ( 4.744 -5.448 -2.905) 7.786 3.359 ( 1.937 2.565 -0.355) 3.234 3.472 ( 0.920 2.916 2.813) 4.155 3.606 ( 2.724 -5.769 0.591) 6.407 3.656 ( 0.716 -2.432 -0.499) 2.584 3.773 ( 4.645 -4.305 -5.929) 8.675 3.806 ( 1.001 -1.254 4.257) 4.549 3.908 ( -3.370 -0.555 -2.667) 4.333 3.957 ( 1.031 0.676 1.486) 1.931 4.087 ( 0.236 -1.544 0.277) 1.587 4.306 ( 2.363 0.238 6.757) 7.162 4.421 ( 0.965 -2.090 -3.347) 4.062 4.532 ( -9.512 -1.885 -0.770) 9.727 4.723 ( 5.013 2.283 -0.170) 5.511 4.772 ( 1.751 -5.055 1.139) 5.469 4.902 ( 1.417 3.560 -4.382) 5.821 5.089 ( -0.843 -1.336 1.136) 1.945 5.150 ( 7.390 -0.494 -1.603) 7.578 5.190 ( -0.326 2.076 4.108) 4.614 5.417 ( 0.213 2.568 0.756) 2.685 5.483 ( -1.968 -0.774 -0.347) 2.143 5.518 ( 7.992 -2.137 -1.752) 8.456 5.600 ( -2.805 4.006 1.914) 5.252 5.664 ( -2.507 -0.803 0.259) 2.646 5.871 ( -3.771 -1.994 -4.224) 6.003 6.070 ( 0.329 2.812 0.063) 2.832 6.146 ( -1.026 2.672 0.424) 2.893 6.206 ( -4.013 -2.193 3.055) 5.499 6.321 ( -0.706 3.697 -1.570) 4.078 6.545 ( -8.552 -6.692 -0.983) 10.904 6.664 ( -5.043 3.549 0.995) 6.246 6.883 ( -5.390 -4.581 1.854) 7.313 6.965 ( -2.162 4.431 0.442) 4.950 7.056 ( -2.790 -4.234 -1.007) 5.170 7.561 ( -3.578 -0.520 -0.487) 3.649 7.838 ( 0.774 1.437 -0.739) 1.792 7.926 ( 3.583 -0.184 -1.254) 3.801 7.975 ( -2.412 -4.097 5.723) 7.440 8.022 ( -2.759 -10.129 -1.332) 10.582 8.433 ( 1.358 1.104 -4.470) 4.801 8.770 ( 4.380 -2.338 2.724) 5.663 8.800 ( 2.916 -1.722 -0.860) 3.494 9.050 ( 3.683 -2.784 2.126) 5.083 9.055 ( 0.334 -0.543 -1.435) 1.571 9.407 ( 6.690 1.830 -2.299) 7.307 9.599 ( -4.439 1.357 2.326) 5.192 10.000 ( 3.468 1.682 -0.847) 3.946 10.200 ( -5.003 6.210 0.829) 8.018 10.480 ( -5.042 -2.025 1.083) 5.541 10.553 ( 0.541 0.672 -2.012) 2.189 10.772 ( 2.212 0.227 2.373) 3.252 10.890 ( 1.534 2.245 -2.937) 4.002 10.993 ( -1.316 2.184 -0.091) 2.552 11.015 ( -5.706 -5.074 1.593) 7.801 11.239 ( 2.590 -3.879 -0.468) 4.687 11.295 ( 3.463 -2.123 0.096) 4.063 11.767 ( 0.109 -3.420 -0.042) 3.422 11.847 ( -2.199 -5.006 -0.427) 5.484 12.075 ( -1.220 2.883 0.022) 3.130 12.138 ( -0.445 1.984 0.247) 2.048 12.720 ( -0.575 3.338 0.248) 3.397 12.807 ( 0.143 3.017 -0.028) 3.021 13.234 ( 0.744 -8.737 -0.774) 8.802 13.414 ( 1.804 -6.385 0.542) 6.657 16.007 ( -3.640 -0.467 0.981) 3.798 16.185 ( -0.446 -3.347 -0.977) 3.515 17.947 ( 9.045 0.574 -0.903) 9.108 18.136 ( -0.057 6.419 2.724) 6.974 18.255 ( -0.360 10.254 -0.947) 10.304 18.364 ( -10.463 -4.611 -1.362) 11.514 18.852 ( 7.243 -9.978 1.916) 12.478 19.080 ( -4.092 -6.019 -1.783) 7.493 19.292 ( 1.570 -1.509 -0.931) 2.368 19.444 ( -3.011 -3.561 1.862) 5.021 19.739 ( 6.913 -7.463 -0.333) 10.178 20.078 ( -11.383 -6.145 -0.004) 12.935 21.004 ( 13.527 10.898 -0.620) 17.381 21.400 ( -11.086 9.375 0.762) 14.538 21.993 ( -0.065 2.562 -0.364) 2.588 22.004 ( -0.479 3.443 -0.232) 3.484 22.067 ( -0.375 -5.327 0.900) 5.416 22.399 ( 2.090 -6.407 -1.416) 6.887 22.784 ( -1.488 6.374 1.233) 6.661 23.128 ( 2.007 -1.335 -0.858) 2.559 23.262 ( 0.175 1.289 0.370) 1.353 23.500 ( 4.464 -2.924 0.215) 5.340 ======================= Grid point 20 (15/102) ======================= q-point: (-0.18 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -2.038 13.172 0.130) 13.329 1.016 ( -4.075 8.990 -0.700) 9.895 1.332 ( -2.420 13.111 -0.606) 13.346 1.613 ( 2.659 4.636 3.321) 6.292 1.847 ( -3.114 10.233 0.773) 10.725 1.908 ( -3.413 22.028 -0.668) 22.301 2.004 ( -7.663 17.821 -3.413) 19.696 2.052 ( -4.768 9.187 1.723) 10.493 2.532 ( 3.318 0.630 0.736) 3.457 2.574 ( -1.120 -8.011 -0.949) 8.144 2.755 ( -1.216 2.402 -2.751) 3.849 2.796 ( -6.091 3.637 2.809) 7.630 2.857 ( -2.278 3.920 1.518) 4.781 2.998 ( 3.242 5.777 -2.525) 7.089 3.217 ( -1.754 1.714 1.889) 3.096 3.273 ( -0.680 1.459 1.255) 2.041 3.316 ( 1.872 1.247 -0.605) 2.329 3.397 ( 2.549 0.675 -2.396) 3.563 3.506 ( -1.183 -6.351 1.180) 6.567 3.693 ( 0.489 -2.117 -0.226) 2.185 3.708 ( 1.876 -1.551 0.383) 2.464 3.822 ( 1.768 -0.051 1.624) 2.401 3.890 ( 1.455 -2.480 2.409) 3.751 3.930 ( 0.732 -6.253 -5.900) 8.628 4.019 ( 4.268 -5.174 -2.245) 7.073 4.155 ( -0.974 -5.433 3.185) 6.373 4.347 ( 4.910 0.366 1.476) 5.140 4.411 ( -4.016 -0.233 0.257) 4.031 4.532 ( -4.615 -4.021 -1.298) 6.257 4.687 ( 0.775 3.600 0.755) 3.759 4.815 ( 5.079 3.230 -0.522) 6.042 4.870 ( -1.621 -1.884 -0.409) 2.519 5.079 ( -2.518 3.529 2.404) 4.957 5.174 ( -1.620 -3.194 1.640) 3.939 5.213 ( 8.288 -0.588 -3.185) 8.899 5.378 ( -1.008 0.605 -2.877) 3.108 5.483 ( -6.300 0.247 2.914) 6.946 5.556 ( 4.917 1.364 2.928) 5.883 5.594 ( 5.202 -0.571 0.121) 5.235 5.666 ( 0.809 -1.508 -3.101) 3.542 5.823 ( -6.705 0.284 -1.984) 6.998 6.055 ( 0.440 0.938 1.071) 1.490 6.111 ( 0.965 2.115 -0.317) 2.346 6.207 ( -7.869 -2.373 1.499) 8.355 6.341 ( 12.019 -1.247 -4.056) 12.745 6.529 ( -14.559 -0.794 3.763) 15.059 6.618 ( -2.453 -1.620 -0.970) 3.096 6.880 ( -2.930 2.083 0.067) 3.596 6.940 ( -5.508 -5.808 1.448) 8.134 7.122 ( -0.776 -4.173 0.053) 4.245 7.529 ( -2.593 1.579 -0.215) 3.044 7.823 ( 0.852 1.162 -0.449) 1.509 7.945 ( 1.114 -2.351 0.395) 2.631 8.069 ( -1.019 -5.725 2.105) 6.184 8.166 ( -1.761 -5.651 -1.416) 6.086 8.440 ( 1.463 -3.558 -0.843) 3.938 8.823 ( 4.609 0.907 -1.119) 4.829 8.847 ( 0.316 -2.078 -0.260) 2.118 9.020 ( -2.064 3.233 1.864) 4.265 9.119 ( 1.774 -1.949 -0.389) 2.664 9.407 ( 4.245 2.218 -3.201) 5.760 9.519 ( -5.102 4.612 4.007) 7.960 10.029 ( 3.418 0.180 -0.923) 3.545 10.095 ( -3.835 -1.923 0.248) 4.297 10.498 ( -1.145 -2.151 -0.077) 2.438 10.554 ( 0.438 -0.439 -0.531) 0.816 10.806 ( 1.693 -1.732 3.047) 3.893 10.844 ( 3.870 3.927 -2.317) 5.980 10.962 ( -3.880 -0.239 0.047) 3.887 11.064 ( -2.850 -3.549 0.148) 4.554 11.296 ( -1.256 -1.640 -1.224) 2.401 11.351 ( 2.387 -1.681 0.661) 2.994 11.835 ( -0.680 -4.525 -0.530) 4.607 11.930 ( -2.543 -5.851 0.659) 6.414 12.023 ( -1.386 1.555 -0.254) 2.099 12.102 ( 0.307 1.788 0.038) 1.815 12.676 ( 0.057 1.520 0.203) 1.535 12.766 ( 0.414 1.931 -0.067) 1.976 13.386 ( 0.041 -8.086 -0.261) 8.091 13.543 ( 1.722 -6.433 0.088) 6.660 15.993 ( -3.170 -0.541 1.310) 3.472 16.249 ( -0.515 -4.534 -1.196) 4.718 17.973 ( 6.503 5.962 -2.522) 9.176 17.991 ( 0.031 9.437 1.447) 9.547 18.090 ( 3.633 6.130 0.880) 7.180 18.385 ( -12.390 -6.746 0.862) 14.133 19.102 ( 7.097 -10.289 -0.194) 12.501 19.209 ( -1.753 -11.411 1.725) 11.674 19.307 ( -2.944 -2.248 -3.483) 5.084 19.531 ( -2.209 -7.631 1.809) 8.147 19.934 ( 7.275 -8.251 -0.161) 11.001 20.110 ( -8.596 -6.155 -0.156) 10.573 20.867 ( 12.433 16.246 -1.364) 20.503 21.132 ( -12.351 10.441 1.843) 16.278 21.903 ( -0.625 6.215 -1.232) 6.367 21.941 ( -0.523 3.047 0.680) 3.165 22.182 ( 0.279 -6.590 0.250) 6.601 22.522 ( 1.847 -5.869 -1.548) 6.345 22.668 ( -1.063 5.769 1.424) 6.036 23.138 ( 1.138 1.425 -0.006) 1.823 23.229 ( 0.755 2.929 -0.358) 3.046 23.588 ( 4.531 -3.142 0.604) 5.547 ======================= Grid point 21 (16/102) ======================= q-point: (-0.09 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 19.996 -0.000) 19.996 0.978 ( 0.000 23.999 -0.000) 23.999 1.046 ( -0.000 -3.140 0.000) 3.140 1.376 ( 0.000 29.254 -0.000) 29.254 1.481 ( 0.000 14.716 -0.000) 14.716 1.724 ( 0.000 9.454 -0.000) 9.454 1.728 ( 0.000 1.770 -0.000) 1.770 1.955 ( 0.000 0.779 -0.000) 0.779 2.458 ( 0.000 5.965 -0.000) 5.965 2.620 ( 0.000 5.804 -0.000) 5.804 2.695 ( 0.000 3.330 -0.000) 3.330 2.738 ( 0.000 6.329 -0.000) 6.329 2.850 ( -0.000 -10.351 0.000) 10.351 2.882 ( 0.000 7.271 -0.000) 7.271 3.183 ( 0.000 0.906 -0.000) 0.906 3.227 ( 0.000 2.272 -0.000) 2.272 3.343 ( -0.000 -3.144 0.000) 3.144 3.418 ( -0.000 -1.131 0.000) 1.131 3.584 ( -0.000 -1.753 0.000) 1.753 3.696 ( 0.000 3.289 -0.000) 3.289 3.743 ( -0.000 -2.841 0.000) 2.841 3.824 ( -0.000 -0.221 0.000) 0.221 3.919 ( -0.000 -0.325 0.000) 0.325 4.042 ( -0.000 -4.834 0.000) 4.834 4.106 ( 0.000 0.924 -0.000) 0.924 4.261 ( -0.000 -6.466 0.000) 6.466 4.335 ( -0.000 -2.613 0.000) 2.613 4.475 ( -0.000 -6.414 0.000) 6.414 4.573 ( -0.000 -0.357 0.000) 0.357 4.667 ( -0.000 -3.522 0.000) 3.522 4.793 ( 0.000 1.461 -0.000) 1.461 4.901 ( -0.000 -3.481 0.000) 3.481 5.023 ( 0.000 1.478 -0.000) 1.478 5.205 ( 0.000 0.854 -0.000) 0.854 5.256 ( 0.000 0.423 -0.000) 0.423 5.369 ( -0.000 -1.474 0.000) 1.474 5.470 ( 0.000 0.538 -0.000) 0.538 5.546 ( -0.000 -1.364 0.000) 1.364 5.642 ( -0.000 -1.764 0.000) 1.764 5.663 ( 0.000 3.336 -0.000) 3.336 5.814 ( -0.000 -2.108 0.000) 2.108 6.030 ( 0.000 2.312 -0.000) 2.312 6.067 ( 0.000 2.910 -0.000) 2.910 6.223 ( -0.000 -2.329 0.000) 2.329 6.441 ( 0.000 0.762 -0.000) 0.762 6.447 ( -0.000 -1.613 0.000) 1.613 6.630 ( -0.000 -0.978 0.000) 0.978 6.859 ( -0.000 -0.796 0.000) 0.796 7.023 ( -0.000 -6.141 0.000) 6.141 7.172 ( -0.000 -1.675 0.000) 1.675 7.471 ( 0.000 3.545 -0.000) 3.545 7.806 ( 0.000 0.804 -0.000) 0.804 8.042 ( -0.000 -7.786 0.000) 7.786 8.144 ( -0.000 -1.812 0.000) 1.812 8.191 ( -0.000 -0.770 0.000) 0.770 8.580 ( -0.000 -9.626 0.000) 9.626 8.792 ( 0.000 3.909 -0.000) 3.909 8.874 ( -0.000 -1.533 0.000) 1.533 8.928 ( 0.000 6.816 -0.000) 6.816 9.141 ( -0.000 -0.089 0.000) 0.089 9.395 ( 0.000 0.727 -0.000) 0.727 9.399 ( 0.000 5.397 -0.000) 5.397 10.008 ( -0.000 -0.061 0.000) 0.061 10.248 ( -0.000 -12.208 0.000) 12.208 10.533 ( -0.000 -2.219 0.000) 2.219 10.567 ( -0.000 -0.978 0.000) 0.978 10.779 ( 0.000 3.777 -0.000) 3.777 10.875 ( -0.000 -2.120 0.000) 2.120 10.919 ( 0.000 3.430 -0.000) 3.430 11.101 ( -0.000 -1.951 0.000) 1.951 11.287 ( 0.000 0.802 -0.000) 0.802 11.389 ( -0.000 -1.336 0.000) 1.336 11.913 ( -0.000 -4.502 0.000) 4.502 11.988 ( -0.000 -1.116 0.000) 1.116 12.010 ( -0.000 -0.806 0.000) 0.806 12.101 ( -0.000 -2.255 0.000) 2.255 12.666 ( -0.000 -0.156 0.000) 0.156 12.740 ( 0.000 1.342 -0.000) 1.342 13.512 ( -0.000 -6.076 0.000) 6.076 13.658 ( -0.000 -5.584 0.000) 5.584 15.988 ( -0.000 -0.287 0.000) 0.287 16.336 ( -0.000 -5.887 0.000) 5.887 17.820 ( 0.000 9.431 -0.000) 9.431 17.839 ( 0.000 7.896 -0.000) 7.896 18.076 ( 0.000 2.303 -0.000) 2.303 18.437 ( -0.000 -5.499 0.000) 5.499 19.266 ( -0.000 -3.917 0.000) 3.917 19.323 ( -0.000 -6.061 0.000) 6.061 19.477 ( -0.000 -15.069 0.000) 15.069 19.679 ( -0.000 -9.837 0.000) 9.837 20.100 ( -0.000 -6.693 0.000) 6.693 20.189 ( -0.000 -6.259 0.000) 6.259 20.567 ( 0.000 21.777 -0.000) 21.777 20.912 ( 0.000 9.454 -0.000) 9.454 21.777 ( 0.000 7.058 -0.000) 7.058 21.903 ( 0.000 0.892 -0.000) 0.892 22.294 ( -0.000 -5.819 0.000) 5.819 22.576 ( 0.000 4.325 -0.000) 4.325 22.616 ( -0.000 -3.922 0.000) 3.922 23.092 ( 0.000 4.323 -0.000) 4.323 23.168 ( 0.000 4.193 -0.000) 4.193 23.668 ( -0.000 -3.181 0.000) 3.181 ======================= Grid point 24 (17/102) ======================= q-point: ( 0.18 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 22.456 0.000 0.166) 22.457 0.791 ( 25.194 0.000 1.245) 25.224 1.244 ( 10.044 0.000 -8.703) 13.290 1.291 ( 14.103 0.000 -0.411) 14.109 1.453 ( 44.265 0.000 2.735) 44.349 1.891 ( 8.204 0.000 5.403) 9.824 2.078 ( 14.044 0.000 8.014) 16.169 2.273 ( 5.427 0.000 -5.179) 7.501 2.349 ( 7.315 0.000 -0.074) 7.316 2.481 ( 6.299 0.000 -3.921) 7.419 2.688 ( 3.521 0.000 -7.409) 8.203 2.702 ( 1.863 0.000 3.670) 4.116 2.881 ( -7.467 -0.000 -0.706) 7.500 2.915 ( 3.694 0.000 2.142) 4.270 3.196 ( -11.997 -0.000 5.393) 13.153 3.206 ( -1.360 -0.000 -1.325) 1.899 3.358 ( -3.298 -0.000 2.532) 4.158 3.472 ( 2.012 0.000 -2.277) 3.039 3.481 ( -2.866 -0.000 0.885) 3.000 3.685 ( 2.258 0.000 -3.795) 4.416 3.692 ( 3.159 0.000 -5.027) 5.937 3.753 ( -0.638 -0.000 -0.208) 0.671 3.863 ( -1.105 -0.000 3.180) 3.367 3.996 ( 2.207 0.000 -1.281) 2.552 4.090 ( -0.499 -0.000 2.034) 2.095 4.300 ( -12.111 -0.000 4.495) 12.918 4.443 ( -5.343 -0.000 -0.813) 5.405 4.512 ( -2.961 -0.000 -4.371) 5.280 4.686 ( -7.551 -0.000 1.156) 7.639 4.710 ( -4.693 -0.000 1.479) 4.920 4.881 ( -1.279 -0.000 0.929) 1.581 4.911 ( -1.920 -0.000 -2.181) 2.906 4.991 ( 6.564 0.000 -4.159) 7.770 5.138 ( -8.290 -0.000 5.038) 9.700 5.157 ( -4.490 -0.000 -2.009) 4.919 5.170 ( 1.823 0.000 -7.229) 7.456 5.297 ( -8.968 -0.000 5.954) 10.765 5.385 ( -7.868 -0.000 0.666) 7.896 5.440 ( -6.578 -0.000 -4.073) 7.737 5.795 ( -1.275 -0.000 3.837) 4.043 5.905 ( -4.336 -0.000 4.355) 6.145 5.951 ( 2.269 0.000 -9.720) 9.981 6.100 ( -4.004 -0.000 2.490) 4.715 6.326 ( -3.907 -0.000 -1.423) 4.158 6.591 ( 7.110 0.000 -3.623) 7.980 6.595 ( 13.698 0.000 2.481) 13.921 6.845 ( -0.676 -0.000 6.457) 6.493 6.888 ( 8.870 0.000 -0.131) 8.871 7.168 ( 20.466 0.000 -7.874) 21.929 7.468 ( 6.428 0.000 -3.294) 7.223 7.762 ( 0.582 0.000 5.379) 5.411 7.953 ( 1.188 0.000 -10.741) 10.807 8.030 ( -6.042 -0.000 -6.659) 8.992 8.257 ( -11.359 -0.000 22.985) 25.639 8.436 ( -11.064 -0.000 6.162) 12.664 8.494 ( 7.545 0.000 -5.216) 9.172 8.788 ( -7.565 -0.000 -0.804) 7.608 8.822 ( -3.234 -0.000 4.483) 5.527 8.975 ( 13.332 0.000 -4.695) 14.135 9.367 ( 1.975 0.000 7.564) 7.818 9.613 ( 11.673 0.000 -7.346) 13.792 9.909 ( -6.089 -0.000 -19.452) 20.382 10.093 ( 1.736 0.000 -0.924) 1.967 10.221 ( -12.926 -0.000 7.976) 15.189 10.356 ( -11.969 -0.000 3.256) 12.404 10.530 ( 0.450 0.000 -15.715) 15.722 10.707 ( 1.659 0.000 2.633) 3.112 10.778 ( 4.563 0.000 -0.448) 4.585 10.949 ( 8.261 0.000 -7.670) 11.273 11.168 ( 4.596 0.000 6.910) 8.299 11.299 ( 9.033 0.000 0.692) 9.060 11.545 ( 6.114 0.000 2.572) 6.633 11.866 ( -4.819 -0.000 0.512) 4.846 11.878 ( -6.095 -0.000 -0.495) 6.115 12.449 ( 13.753 0.000 0.246) 13.755 12.617 ( -3.180 -0.000 -0.228) 3.189 12.712 ( 6.007 0.000 -1.308) 6.148 13.030 ( 8.974 0.000 -3.662) 9.692 13.552 ( -4.612 -0.000 0.230) 4.618 13.585 ( -3.532 -0.000 -0.388) 3.553 16.320 ( -3.514 -0.000 -24.754) 25.002 16.487 ( -10.242 -0.000 12.923) 16.490 17.681 ( 7.450 0.000 0.275) 7.455 17.779 ( 6.417 0.000 -2.075) 6.745 18.204 ( 9.968 0.000 -1.268) 10.048 18.516 ( 3.844 0.000 -5.456) 6.674 19.161 ( -15.606 -0.000 4.392) 16.213 19.224 ( -12.550 -0.000 -0.753) 12.572 19.921 ( 2.493 0.000 -4.610) 5.241 19.934 ( -0.683 -0.000 3.139) 3.212 20.127 ( 0.304 0.000 2.975) 2.990 20.487 ( 9.057 0.000 8.018) 12.096 20.645 ( 17.408 0.000 0.342) 17.411 21.378 ( 19.803 0.000 -50.060) 53.834 21.922 ( -5.473 -0.000 13.334) 14.413 21.983 ( -4.582 -0.000 17.273) 17.871 21.990 ( 4.303 0.000 0.337) 4.316 22.442 ( -0.680 -0.000 -0.336) 0.758 22.472 ( 0.968 0.000 -2.893) 3.051 22.764 ( -6.730 -0.000 4.377) 8.028 22.902 ( -3.626 -0.000 -0.112) 3.627 22.958 ( -6.732 -0.000 -0.469) 6.748 ======================= Grid point 25 (18/102) ======================= q-point: ( 0.27 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( 19.249 -7.568 1.485) 20.736 1.047 ( 20.782 -8.203 2.167) 22.447 1.269 ( 9.190 2.733 -0.087) 9.588 1.506 ( 15.540 -8.320 -5.499) 18.465 1.835 ( 32.955 -6.446 -0.647) 33.585 1.936 ( 11.374 1.457 2.786) 11.800 2.188 ( 8.848 -0.677 5.703) 10.549 2.246 ( 7.951 3.288 -5.513) 10.219 2.435 ( 8.612 -2.681 -1.761) 9.190 2.588 ( 0.463 -6.003 2.825) 6.651 2.650 ( -0.899 -1.577 -0.343) 1.847 2.813 ( 1.573 -4.539 -4.953) 6.900 2.839 ( 3.683 -0.530 1.156) 3.896 2.965 ( 0.201 -1.321 2.945) 3.234 3.100 ( -4.818 0.392 1.243) 4.991 3.220 ( -6.042 -0.837 -0.237) 6.105 3.330 ( 1.608 1.764 3.569) 4.293 3.407 ( -1.072 4.024 -1.362) 4.381 3.510 ( -4.138 -2.986 1.990) 5.478 3.647 ( 1.076 0.994 -4.561) 4.791 3.720 ( -0.870 2.702 -0.914) 2.982 3.767 ( -0.027 -3.059 -3.479) 4.633 3.861 ( 0.296 1.095 1.822) 2.146 3.944 ( 0.144 6.877 -2.174) 7.214 4.073 ( -5.238 2.371 5.817) 8.179 4.221 ( -5.684 0.534 1.422) 5.884 4.374 ( -6.123 0.292 -0.473) 6.148 4.506 ( -3.977 -0.772 -1.386) 4.282 4.536 ( -5.531 7.586 -1.110) 9.454 4.644 ( -2.213 2.191 -0.656) 3.182 4.823 ( -4.123 2.665 2.052) 5.321 4.987 ( -0.253 -5.806 -2.907) 6.498 5.035 ( 3.401 -0.151 -2.849) 4.439 5.055 ( -5.629 2.256 4.470) 7.534 5.138 ( -1.457 2.637 -0.609) 3.074 5.190 ( -4.082 -3.638 -3.694) 6.599 5.254 ( -8.045 -2.534 1.811) 8.627 5.333 ( -6.899 -1.637 0.437) 7.104 5.432 ( -7.571 -4.695 -1.313) 9.005 5.754 ( -0.226 4.065 2.370) 4.710 5.920 ( -2.664 -3.357 3.644) 5.626 5.980 ( 2.842 -2.984 -4.477) 6.085 6.090 ( -0.402 -0.766 0.089) 0.869 6.279 ( -2.832 1.335 -0.887) 3.254 6.613 ( 9.713 2.329 -1.673) 10.127 6.705 ( 7.930 -1.347 0.663) 8.071 6.842 ( 4.079 0.995 2.126) 4.706 6.983 ( 1.892 -2.923 3.720) 5.095 7.275 ( 15.130 1.859 -6.855) 16.714 7.540 ( 5.872 -2.516 -2.449) 6.841 7.768 ( 0.496 1.287 4.353) 4.567 7.865 ( -0.178 8.527 -2.822) 8.984 7.955 ( -6.418 1.150 -4.498) 7.921 8.218 ( -2.247 -0.654 9.114) 9.409 8.348 ( -4.592 2.636 1.965) 5.647 8.479 ( -3.280 5.273 -1.755) 6.454 8.715 ( -4.007 1.488 5.412) 6.896 8.847 ( -5.190 -3.325 -1.774) 6.414 9.089 ( 11.733 -2.291 -3.453) 12.444 9.324 ( 3.056 8.245 2.814) 9.232 9.594 ( 3.066 17.307 -8.194) 19.393 9.692 ( 8.467 0.775 -6.700) 10.825 10.084 ( -0.394 0.779 0.096) 0.878 10.129 ( -11.905 2.202 6.650) 13.813 10.331 ( -6.788 -3.573 4.197) 8.744 10.528 ( -0.947 -1.967 -10.068) 10.302 10.684 ( 2.840 2.753 2.233) 4.542 10.832 ( 2.896 1.141 -2.341) 3.895 11.021 ( 7.546 -4.842 -1.211) 9.047 11.294 ( 4.901 -5.242 3.836) 8.137 11.346 ( 8.930 2.068 0.382) 9.175 11.562 ( 1.508 1.729 -0.044) 2.295 11.810 ( -4.316 0.941 0.464) 4.441 11.874 ( -4.179 -2.368 -0.151) 4.806 12.507 ( 10.787 3.201 1.487) 11.350 12.585 ( -0.107 2.041 -1.523) 2.549 12.700 ( 6.044 6.107 -0.330) 8.598 12.896 ( 12.116 16.343 -1.249) 20.383 13.516 ( -7.129 0.956 -0.060) 7.193 13.547 ( -3.681 1.926 -0.011) 4.154 16.180 ( -4.144 4.487 -9.797) 11.545 16.423 ( -11.684 1.965 6.593) 13.559 17.691 ( 7.580 3.495 0.109) 8.348 17.880 ( 6.955 -4.481 -1.222) 8.363 18.059 ( 11.760 8.296 0.357) 14.396 18.756 ( 2.307 -7.294 -3.227) 8.303 19.053 ( -10.888 1.349 1.760) 11.111 19.255 ( -17.358 -14.172 -0.258) 22.410 19.785 ( -1.643 11.566 -2.119) 11.872 19.845 ( -2.233 10.479 0.367) 10.721 20.044 ( 3.952 9.243 -0.348) 10.058 20.480 ( 11.808 11.501 8.600) 18.592 20.805 ( 16.797 -2.069 0.513) 16.932 21.230 ( 16.995 7.733 -19.643) 27.101 21.784 ( 0.614 -1.706 10.165) 10.325 21.960 ( 2.599 1.152 -1.156) 3.069 22.354 ( -2.696 3.276 0.065) 4.243 22.430 ( -4.968 -9.792 3.433) 11.504 22.549 ( 0.959 -5.711 -4.520) 7.346 22.818 ( -9.783 -12.038 -0.350) 15.516 22.929 ( -6.905 -6.882 1.331) 9.839 22.961 ( -6.782 -5.804 0.219) 8.929 ======================= Grid point 26 (19/102) ======================= q-point: ( 0.36 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 11.969 -10.052 4.103) 16.159 1.280 ( 8.129 1.943 4.494) 9.490 1.369 ( 15.028 -11.576 2.777) 19.172 1.695 ( 16.184 -0.783 -11.863) 20.081 2.014 ( 9.618 -4.619 -4.222) 11.475 2.045 ( 6.965 1.607 -0.904) 7.205 2.280 ( 7.579 -4.995 2.372) 9.382 2.395 ( 14.281 -6.503 -1.075) 15.729 2.518 ( 7.437 0.000 -0.118) 7.438 2.645 ( -2.760 -4.161 5.622) 7.519 2.760 ( -4.910 -6.280 3.940) 8.892 2.795 ( 1.878 2.213 0.808) 3.013 2.952 ( 3.008 -3.587 1.436) 4.897 3.026 ( 4.269 -7.703 -6.016) 10.665 3.121 ( -0.981 -1.858 3.524) 4.103 3.147 ( -4.744 2.724 -0.855) 5.537 3.312 ( 0.619 3.432 -2.730) 4.429 3.352 ( 4.458 2.002 1.252) 5.044 3.540 ( -5.567 -4.084 1.266) 7.019 3.610 ( -2.777 2.886 -0.994) 4.127 3.661 ( -0.723 0.956 -1.388) 1.834 3.787 ( -0.901 7.499 -1.527) 7.706 3.822 ( -1.372 2.325 -1.551) 3.114 3.832 ( 3.648 -2.180 -0.627) 4.296 3.973 ( -6.826 3.320 4.965) 9.070 4.143 ( -3.203 4.596 0.000) 5.602 4.331 ( -6.895 5.742 0.549) 8.989 4.416 ( 0.655 -1.301 -2.446) 2.847 4.458 ( -5.936 1.740 0.781) 6.235 4.646 ( -4.262 -2.935 1.416) 5.364 4.770 ( -3.087 0.611 1.004) 3.303 4.952 ( -5.737 1.719 3.296) 6.836 4.982 ( 1.104 3.507 -6.558) 7.518 5.075 ( -5.496 1.303 0.765) 5.700 5.118 ( -3.659 -4.417 -1.599) 5.954 5.193 ( 2.127 -1.025 -2.191) 3.221 5.289 ( -5.374 -4.871 0.563) 7.275 5.360 ( -2.502 -5.524 2.016) 6.390 5.481 ( -5.684 -5.913 -0.374) 8.210 5.697 ( 1.133 2.691 1.200) 3.157 5.953 ( -3.039 -1.253 1.645) 3.676 6.057 ( 1.843 -3.092 -0.841) 3.697 6.127 ( 2.615 -2.848 -0.449) 3.892 6.267 ( 2.854 -1.170 -1.296) 3.345 6.638 ( 9.515 2.730 -0.535) 9.913 6.759 ( 3.074 -0.028 0.200) 3.080 6.866 ( 5.270 0.966 -0.089) 5.359 7.026 ( 0.226 -0.282 5.042) 5.055 7.282 ( 6.778 5.040 -3.668) 9.209 7.525 ( -0.178 9.200 0.767) 9.233 7.719 ( 0.793 4.395 -0.667) 4.516 7.729 ( -0.943 3.869 -2.116) 4.510 7.933 ( -0.798 -2.715 -0.039) 2.830 8.280 ( -6.050 -1.423 4.130) 7.462 8.287 ( 1.223 2.931 -0.227) 3.184 8.327 ( 0.619 3.060 -3.475) 4.671 8.668 ( -2.582 2.852 7.336) 8.284 8.843 ( -5.280 -1.036 -2.269) 5.840 9.077 ( 2.913 11.885 -4.147) 12.921 9.257 ( 3.851 0.394 0.159) 3.874 9.323 ( 1.464 11.766 -1.994) 12.023 9.755 ( 9.166 -0.181 -4.534) 10.228 10.037 ( -4.533 1.836 4.711) 6.790 10.092 ( -0.400 -2.264 0.290) 2.318 10.373 ( -4.809 -4.647 5.085) 8.402 10.539 ( -0.670 -2.074 -6.923) 7.258 10.667 ( 3.469 2.349 0.747) 4.255 10.816 ( 1.388 1.556 0.096) 2.087 11.160 ( 7.125 -4.054 -0.263) 8.202 11.340 ( 8.930 4.924 0.904) 10.238 11.394 ( 4.522 1.357 0.399) 4.739 11.522 ( 0.305 1.756 -0.486) 1.847 11.776 ( -3.327 0.206 0.778) 3.423 11.886 ( -3.035 -1.719 -0.283) 3.499 12.449 ( 14.552 14.244 -0.093) 20.364 12.569 ( 5.409 1.453 -0.207) 5.604 12.659 ( 0.803 1.616 0.240) 1.820 12.704 ( 4.141 9.950 -0.099) 10.778 13.422 ( -7.645 4.230 -0.391) 8.746 13.450 ( -4.229 4.515 0.547) 6.211 16.088 ( -4.125 1.154 -3.496) 5.529 16.296 ( -9.209 3.971 2.851) 10.426 17.706 ( 5.053 -0.007 0.000) 5.053 17.996 ( 4.033 -3.876 -0.731) 5.641 18.102 ( 11.229 -1.284 0.519) 11.314 18.770 ( 0.528 3.229 -0.817) 3.373 18.939 ( -8.359 4.234 0.882) 9.412 19.386 ( -11.773 -9.322 0.971) 15.049 19.549 ( -3.066 10.814 -2.332) 11.479 19.614 ( -0.164 12.208 2.148) 12.396 19.903 ( 0.090 7.208 -5.389) 9.000 20.317 ( 9.446 16.165 5.599) 19.542 20.947 ( 16.772 -0.520 0.153) 16.781 21.327 ( 9.198 -6.653 -5.257) 12.510 21.877 ( 0.936 -4.904 3.340) 6.007 21.976 ( 2.894 -0.970 0.449) 3.085 22.240 ( -2.410 6.103 -0.966) 6.633 22.457 ( -4.568 1.556 3.521) 5.974 22.638 ( 3.010 -5.003 -3.834) 6.985 22.948 ( -4.501 -7.117 -1.236) 8.511 23.026 ( -9.389 -10.240 -0.169) 13.894 23.044 ( -8.869 -8.921 1.507) 12.669 ======================= Grid point 27 (20/102) ======================= q-point: ( 0.45 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 6.133 -5.019 -0.405) 7.935 1.415 ( 8.705 -7.418 4.368) 12.243 1.674 ( 9.764 -9.634 4.348) 14.389 1.747 ( 14.099 1.990 -10.349) 17.603 2.038 ( -0.297 -1.729 -2.036) 2.688 2.190 ( 4.906 -6.043 -1.460) 7.919 2.396 ( -1.787 -2.459 3.159) 4.384 2.444 ( 6.317 2.671 0.409) 6.871 2.635 ( -3.524 2.829 1.973) 4.931 2.651 ( 0.340 -5.482 4.711) 7.236 2.768 ( -3.899 -0.795 2.491) 4.695 2.854 ( 8.954 -1.290 -4.152) 9.954 3.057 ( 5.288 -3.016 0.113) 6.088 3.075 ( -3.349 1.204 -0.435) 3.585 3.137 ( -1.766 -2.436 1.671) 3.442 3.200 ( 2.733 -6.959 -3.392) 8.210 3.275 ( 3.146 1.145 -2.584) 4.229 3.354 ( 5.181 1.032 0.770) 5.338 3.541 ( -3.388 0.924 1.552) 3.839 3.577 ( -1.841 -1.879 -1.172) 2.880 3.648 ( -0.608 2.478 1.168) 2.806 3.677 ( -1.000 1.196 -3.235) 3.591 3.775 ( -2.900 0.403 0.509) 2.972 3.827 ( -2.438 3.818 4.811) 6.608 3.993 ( 5.588 -5.234 -2.886) 8.183 4.033 ( -5.116 4.278 -0.635) 6.699 4.194 ( -1.855 4.580 0.386) 4.957 4.361 ( -4.790 2.387 -2.299) 5.825 4.446 ( -3.981 -1.158 1.808) 4.523 4.643 ( -6.889 -1.092 4.907) 8.528 4.730 ( -9.933 -0.163 1.373) 10.028 4.932 ( 2.637 -0.871 -5.517) 6.177 4.958 ( 1.924 -0.320 1.312) 2.351 5.015 ( -5.390 -0.525 -3.017) 6.199 5.139 ( -6.386 -4.202 0.882) 7.695 5.261 ( 4.982 -2.006 -4.166) 6.797 5.328 ( -2.444 -3.185 3.300) 5.197 5.480 ( 4.045 -5.706 1.933) 7.257 5.537 ( -4.695 -4.691 -0.505) 6.656 5.677 ( 1.374 1.330 0.625) 2.012 5.925 ( -2.516 1.828 0.434) 3.140 6.099 ( -1.342 -1.946 1.952) 3.066 6.204 ( 2.902 -2.989 -3.277) 5.300 6.360 ( 7.140 -4.464 -0.728) 8.452 6.650 ( 8.396 3.399 0.653) 9.082 6.741 ( 0.370 4.209 0.450) 4.249 6.867 ( 1.964 2.240 -0.727) 3.067 7.024 ( 1.538 2.471 4.444) 5.312 7.204 ( -0.357 4.633 -1.601) 4.914 7.295 ( -0.172 14.050 -1.567) 14.138 7.652 ( -3.541 1.720 -2.377) 4.599 7.663 ( -1.713 2.940 2.046) 3.970 7.964 ( -1.499 0.783 -1.712) 2.406 8.141 ( -2.851 4.444 1.018) 5.377 8.273 ( 1.286 0.187 -1.298) 1.836 8.423 ( 3.083 -3.224 1.742) 4.789 8.607 ( 2.400 4.606 4.746) 7.036 8.812 ( -2.220 0.179 -3.460) 4.115 8.872 ( -2.962 8.760 -0.883) 9.289 9.063 ( -6.117 8.580 0.597) 10.554 9.372 ( 9.097 -1.768 -2.500) 9.598 9.781 ( 3.947 2.407 -0.558) 4.657 10.017 ( 2.524 0.605 0.663) 2.679 10.167 ( -0.311 -6.100 0.080) 6.108 10.441 ( -4.829 -5.598 5.217) 9.048 10.562 ( 0.357 -2.097 -5.051) 5.480 10.646 ( 2.653 2.973 0.280) 3.995 10.806 ( -1.316 -0.421 0.762) 1.578 11.238 ( 5.409 3.002 0.409) 6.200 11.298 ( 5.683 4.825 0.545) 7.475 11.325 ( 5.848 7.126 -2.448) 9.538 11.522 ( 5.602 2.901 1.585) 6.504 11.742 ( -3.048 1.176 0.119) 3.269 11.878 ( -2.840 0.593 -0.082) 2.902 12.311 ( 9.397 10.080 -0.123) 13.781 12.450 ( 8.655 14.530 -0.034) 16.913 12.666 ( -0.910 -4.680 -0.075) 4.768 12.722 ( 0.028 -4.708 0.048) 4.708 13.259 ( -6.031 7.447 -0.598) 9.601 13.349 ( -5.104 3.483 0.882) 6.242 16.052 ( -3.442 -0.519 -1.745) 3.894 16.178 ( -6.825 2.956 1.441) 7.576 17.757 ( 3.749 -2.012 -0.037) 4.255 18.061 ( -1.289 -2.421 -0.375) 2.769 18.221 ( 8.824 -2.918 0.577) 9.312 18.696 ( -0.543 4.853 -1.701) 5.171 18.806 ( -2.364 5.542 1.424) 6.191 19.320 ( -0.438 7.076 0.209) 7.093 19.415 ( -1.039 5.565 3.594) 6.705 19.499 ( -1.144 1.657 -0.534) 2.083 19.780 ( -7.095 2.277 -6.972) 10.204 20.099 ( 2.638 14.068 3.623) 14.764 21.077 ( 16.086 -0.478 0.478) 16.101 21.492 ( 3.542 -6.734 -1.454) 7.747 21.962 ( 1.368 -3.535 -1.589) 4.110 22.022 ( 0.873 -1.365 2.906) 3.327 22.113 ( -2.697 5.606 -0.572) 6.247 22.378 ( -3.477 3.818 1.922) 5.510 22.759 ( 3.887 -6.253 -2.586) 7.804 23.005 ( -3.257 -3.053 0.391) 4.482 23.124 ( -6.820 -6.446 1.508) 9.505 23.142 ( -6.156 -9.116 -1.137) 11.059 ======================= Grid point 28 (21/102) ======================= q-point: ( 0.55 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 6.175 -1.996 -5.391) 8.436 1.569 ( 9.320 -4.489 -2.572) 10.660 1.776 ( 4.733 -2.977 -0.741) 5.641 1.907 ( 0.816 -6.065 9.934) 11.668 2.048 ( -2.027 0.674 -0.965) 2.344 2.282 ( 0.598 -0.324 2.230) 2.331 2.329 ( 0.540 3.208 -0.078) 3.254 2.512 ( -4.343 -3.389 1.260) 5.651 2.549 ( 4.591 4.903 -2.775) 7.268 2.674 ( -8.600 -2.374 2.954) 9.398 2.794 ( 2.230 -1.816 -1.903) 3.448 2.920 ( 9.074 -2.392 -2.538) 9.721 3.042 ( -4.224 -0.060 0.465) 4.250 3.102 ( 3.860 2.399 0.987) 4.651 3.172 ( -2.615 -0.570 -0.708) 2.768 3.228 ( 3.140 -0.637 -2.777) 4.240 3.337 ( -0.096 -2.210 -2.001) 2.983 3.372 ( 1.295 4.651 1.743) 5.133 3.513 ( 2.362 1.090 3.277) 4.184 3.557 ( -0.288 3.950 0.770) 4.034 3.637 ( -1.151 -1.036 -2.343) 2.809 3.651 ( -2.114 -4.719 0.107) 5.172 3.751 ( -0.661 2.998 0.478) 3.107 3.833 ( -3.164 -4.589 2.972) 6.317 3.933 ( -1.410 -0.699 -2.621) 3.057 4.111 ( -0.006 -2.459 -2.873) 3.782 4.191 ( 2.342 -4.596 -0.090) 5.159 4.262 ( -4.356 3.924 -1.530) 6.059 4.449 ( -2.641 -1.967 2.553) 4.167 4.625 ( -7.351 -0.194 4.667) 8.710 4.662 ( -7.473 -1.654 0.605) 7.678 4.975 ( -3.532 -2.421 2.374) 4.896 4.980 ( 4.868 -1.528 -8.651) 10.044 5.034 ( 4.590 -1.773 2.003) 5.312 5.203 ( -4.974 -7.252 1.180) 8.872 5.268 ( -0.640 1.145 -3.919) 4.133 5.402 ( 4.469 -2.917 2.179) 5.764 5.566 ( -3.591 -1.809 -0.424) 4.044 5.605 ( 5.014 -3.526 0.053) 6.130 5.659 ( 1.084 1.809 2.030) 2.927 5.879 ( -0.046 1.772 -0.180) 1.782 6.122 ( -2.166 -1.557 2.576) 3.709 6.250 ( -0.959 -2.423 -4.131) 4.884 6.475 ( 6.234 -1.375 -2.704) 6.933 6.591 ( -2.673 11.808 4.417) 12.888 6.646 ( 6.526 3.085 0.857) 7.269 6.825 ( -2.176 2.001 1.030) 3.130 6.956 ( -0.591 7.311 -1.274) 7.445 7.045 ( 0.532 9.763 -3.696) 10.452 7.173 ( -2.317 0.036 2.679) 3.542 7.598 ( -3.227 2.183 3.098) 4.978 7.622 ( -1.185 -0.885 -2.599) 2.991 7.876 ( -7.389 2.775 -1.288) 7.998 8.087 ( 2.291 4.167 -1.353) 4.944 8.282 ( 4.885 2.670 -3.638) 6.650 8.370 ( -3.387 5.745 6.670) 9.432 8.645 ( 5.723 -3.154 -1.575) 6.722 8.737 ( -2.950 4.231 4.042) 6.553 8.812 ( 1.460 -2.106 -1.834) 3.152 8.967 ( -3.309 -0.979 -1.127) 3.630 9.448 ( 8.668 0.165 -1.607) 8.817 9.739 ( 1.114 3.958 0.047) 4.112 10.037 ( 2.875 -0.079 0.621) 2.943 10.272 ( -1.177 -5.567 -1.364) 5.851 10.511 ( -4.038 -4.330 3.727) 6.996 10.592 ( -1.062 -1.265 -3.124) 3.534 10.613 ( 1.967 0.651 0.938) 2.274 10.811 ( -3.413 -1.800 0.397) 3.879 11.115 ( 0.154 8.735 -0.722) 8.766 11.253 ( 7.538 6.748 -1.405) 10.214 11.293 ( 7.009 4.022 2.342) 8.414 11.472 ( 7.022 8.219 -0.315) 10.814 11.705 ( -1.473 0.693 -0.164) 1.636 11.818 ( -3.808 2.776 0.004) 4.712 12.240 ( 4.710 4.223 -0.019) 6.326 12.290 ( 3.500 8.173 -0.033) 8.891 12.751 ( -0.115 -5.136 -0.859) 5.208 12.828 ( 1.820 -5.813 0.780) 6.141 13.089 ( -3.940 7.113 -0.810) 8.171 13.260 ( -4.618 2.406 1.042) 5.310 16.037 ( -2.610 -0.253 -1.817) 3.190 16.106 ( -4.546 0.598 1.623) 4.863 17.827 ( 3.825 -2.619 -0.078) 4.636 18.075 ( -4.731 -2.316 -0.001) 5.267 18.323 ( 4.446 -2.864 1.317) 5.450 18.589 ( -2.205 4.864 -3.441) 6.353 18.727 ( 3.297 4.812 1.225) 5.960 19.245 ( 4.109 4.298 5.909) 8.383 19.327 ( 1.416 5.432 -2.329) 6.078 19.462 ( 1.905 1.331 -1.068) 2.557 19.672 ( -4.721 4.932 -3.290) 7.578 19.911 ( -9.390 3.648 1.496) 10.184 21.194 ( 15.293 0.655 0.516) 15.316 21.599 ( -1.250 -4.613 -0.362) 4.793 21.973 ( -1.910 4.281 -0.213) 4.693 22.032 ( 0.878 -2.200 -4.634) 5.204 22.056 ( -1.094 -0.257 4.030) 4.184 22.300 ( -1.865 3.021 1.778) 3.971 22.890 ( 3.673 -5.745 -2.237) 7.176 23.014 ( -2.208 -0.093 0.836) 2.363 23.182 ( -5.015 -4.926 1.368) 7.161 23.252 ( -1.992 -6.944 -0.866) 7.275 ======================= Grid point 29 (22/102) ======================= q-point: (-0.36 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 5.837 5.538 -4.262) 9.105 1.697 ( 4.766 0.819 -0.226) 4.842 1.838 ( 0.255 -0.270 -4.617) 4.632 1.956 ( -4.989 2.089 4.601) 7.100 1.966 ( -4.113 1.653 7.851) 9.016 2.209 ( 3.077 6.671 0.538) 7.366 2.334 ( -0.510 -2.385 1.152) 2.697 2.464 ( -1.485 4.317 -4.313) 6.281 2.588 ( -0.604 -6.654 -0.954) 6.749 2.669 ( -2.516 -0.869 0.415) 2.694 2.876 ( 3.807 -0.431 -0.091) 3.832 2.944 ( -5.611 4.608 1.728) 7.463 3.044 ( 3.446 -1.222 0.219) 3.663 3.088 ( -2.393 -1.255 -0.375) 2.728 3.145 ( 1.070 2.096 -2.155) 3.191 3.208 ( 2.610 3.076 -1.063) 4.172 3.249 ( 1.124 3.996 -0.805) 4.228 3.361 ( -3.000 -2.894 -0.931) 4.271 3.476 ( -2.260 1.968 2.197) 3.716 3.575 ( 3.318 -1.620 -0.584) 3.738 3.643 ( -1.828 0.155 3.236) 3.720 3.721 ( -1.342 -2.738 2.647) 4.038 3.740 ( 7.746 0.140 -4.353) 8.886 3.843 ( -6.449 -2.044 0.098) 6.766 4.036 ( 4.054 -5.649 -2.031) 7.243 4.075 ( -3.256 4.295 0.566) 5.419 4.198 ( -7.287 -4.525 3.837) 9.397 4.322 ( 6.575 -3.219 -6.450) 9.757 4.497 ( -0.673 -4.364 0.730) 4.476 4.550 ( -11.751 -0.605 3.737) 12.346 4.709 ( 3.702 -3.395 0.833) 5.092 4.957 ( -2.312 0.256 -2.506) 3.419 5.066 ( 5.941 -2.756 -2.820) 7.131 5.107 ( 2.964 -1.646 5.018) 6.056 5.235 ( 1.554 0.828 -3.992) 4.363 5.299 ( -5.347 -6.541 1.928) 8.666 5.490 ( 3.958 -2.875 1.200) 5.037 5.537 ( -2.863 2.018 -0.080) 3.504 5.597 ( -1.584 2.098 -2.618) 3.710 5.711 ( 5.547 -1.170 3.831) 6.842 5.861 ( 1.809 1.608 -1.553) 2.876 6.128 ( -2.874 -0.562 2.316) 3.734 6.263 ( -3.766 -1.816 -4.389) 6.061 6.341 ( -1.880 11.783 2.792) 12.254 6.472 ( -0.470 3.571 -1.313) 3.833 6.582 ( 0.357 11.068 1.480) 11.172 6.781 ( 0.603 1.244 2.510) 2.865 6.843 ( 0.155 1.466 -3.303) 3.617 6.935 ( -3.998 2.206 -1.948) 4.964 7.147 ( -1.136 3.164 2.297) 4.072 7.561 ( -0.709 1.059 0.360) 1.324 7.669 ( -0.712 -5.752 -0.118) 5.797 7.803 ( -6.709 -1.520 -0.524) 6.899 7.995 ( 0.351 6.333 -1.808) 6.596 8.155 ( 0.611 8.880 3.957) 9.741 8.389 ( 3.703 -3.231 -6.175) 7.892 8.698 ( -1.262 -0.492 5.793) 5.949 8.720 ( 1.153 -2.507 0.392) 2.787 8.907 ( 4.877 -4.859 1.166) 6.982 8.992 ( -0.152 -2.900 -2.960) 4.147 9.486 ( 7.893 2.026 -0.733) 8.182 9.671 ( -0.854 3.583 -0.732) 3.755 10.059 ( 2.444 0.193 1.738) 3.005 10.315 ( -3.894 -1.534 -1.553) 4.465 10.492 ( -1.065 3.529 -0.449) 3.713 10.623 ( 0.689 0.550 1.337) 1.601 10.656 ( -3.691 -7.163 0.332) 8.065 10.818 ( -3.170 -1.854 -0.210) 3.679 10.989 ( -0.563 4.764 -0.151) 4.800 11.198 ( 3.539 3.313 0.863) 4.924 11.255 ( 7.086 7.135 -0.105) 10.056 11.354 ( 5.471 8.329 -0.744) 9.993 11.700 ( -0.173 -0.604 0.285) 0.690 11.760 ( -3.205 0.183 -0.470) 3.244 12.201 ( 1.589 4.415 0.038) 4.692 12.209 ( 1.199 2.467 0.070) 2.744 12.817 ( 0.400 -1.107 -0.261) 1.206 12.916 ( -2.015 -0.526 0.664) 2.185 12.984 ( 1.274 -0.415 -1.325) 1.884 13.229 ( -2.455 -2.342 1.000) 3.537 16.009 ( -2.616 0.531 -0.729) 2.767 16.099 ( -1.802 -1.735 0.628) 2.579 17.904 ( 5.072 -2.462 -0.174) 5.640 18.088 ( -5.937 -3.722 0.647) 7.037 18.389 ( 1.670 -1.186 1.042) 2.298 18.495 ( -1.690 3.472 -3.077) 4.938 18.681 ( 3.293 2.602 1.021) 4.319 19.157 ( -0.646 8.749 2.269) 9.062 19.282 ( 6.915 1.789 -0.912) 7.201 19.512 ( 6.661 1.525 -0.755) 6.875 19.529 ( -3.529 1.254 -0.375) 3.763 19.849 ( -14.845 -5.545 0.215) 15.849 21.266 ( 14.308 3.899 0.252) 14.832 21.614 ( -6.530 0.741 -0.134) 6.574 21.903 ( -0.917 0.574 -0.090) 1.086 22.054 ( -0.374 -0.288 1.035) 1.137 22.073 ( 0.136 -1.203 -1.757) 2.134 22.260 ( -0.518 0.435 1.054) 1.252 22.964 ( 0.022 2.202 -0.262) 2.217 23.014 ( 1.096 -3.890 -0.564) 4.080 23.231 ( -2.288 -3.227 0.990) 4.078 23.355 ( 0.198 -5.567 -0.422) 5.587 ======================= Grid point 30 (23/102) ======================= q-point: (-0.27 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 2.582 5.007 -0.398) 5.648 1.516 ( -1.830 17.649 1.283) 17.790 1.698 ( -1.780 11.328 -1.588) 11.577 1.850 ( 0.491 6.750 0.916) 6.829 2.088 ( -1.528 -11.420 1.217) 11.586 2.108 ( -0.787 5.977 -0.190) 6.031 2.335 ( 0.758 5.047 -0.149) 5.106 2.430 ( -2.537 -0.630 -0.510) 2.664 2.599 ( -2.509 5.776 1.214) 6.413 2.668 ( 0.714 3.421 -1.529) 3.815 2.706 ( -0.181 9.856 -0.327) 9.863 2.888 ( -2.599 -3.138 -0.062) 4.075 3.057 ( -1.430 1.940 2.336) 3.356 3.084 ( -1.402 4.619 -0.183) 4.831 3.181 ( 0.781 -2.780 -0.116) 2.890 3.209 ( -0.196 -5.869 -0.769) 5.923 3.251 ( 2.217 -1.549 -1.414) 3.052 3.412 ( 2.639 0.658 -2.394) 3.623 3.452 ( -2.682 -4.613 1.441) 5.528 3.603 ( 2.715 -0.254 2.222) 3.518 3.663 ( 3.483 2.575 -0.422) 4.352 3.745 ( 4.235 -1.200 -4.223) 6.100 3.774 ( -2.068 -2.650 4.483) 5.604 3.841 ( -4.967 -2.472 -1.691) 5.800 3.991 ( -0.767 2.928 0.941) 3.170 4.105 ( 2.446 0.635 -0.803) 2.651 4.257 ( -3.935 -5.319 4.353) 7.919 4.390 ( 3.753 -2.360 -6.128) 7.564 4.465 ( -7.060 0.426 2.649) 7.553 4.630 ( -1.252 -7.777 0.483) 7.892 4.813 ( 9.155 -2.142 -0.790) 9.435 4.927 ( -2.983 0.752 -0.730) 3.162 5.094 ( 0.752 1.972 0.088) 2.112 5.171 ( 4.471 -2.873 -1.603) 5.551 5.249 ( 1.743 2.039 2.511) 3.674 5.343 ( -5.937 -4.102 0.114) 7.217 5.489 ( -2.122 1.052 0.966) 2.558 5.516 ( -0.705 0.296 0.564) 0.950 5.595 ( 0.931 -2.634 -2.969) 4.077 5.733 ( 5.062 5.260 4.705) 8.685 5.830 ( -1.726 0.360 -4.284) 4.632 6.123 ( -1.840 -1.029 0.537) 2.175 6.182 ( 0.663 4.915 2.070) 5.375 6.226 ( -1.014 5.334 -0.869) 5.498 6.394 ( -1.564 6.037 0.621) 6.267 6.417 ( -4.095 -0.255 -1.649) 4.422 6.721 ( -1.006 4.870 0.637) 5.013 6.834 ( -0.425 0.921 -0.879) 1.342 6.940 ( -2.262 -5.491 0.397) 5.952 7.058 ( -0.832 5.826 0.312) 5.894 7.539 ( -1.221 0.449 -0.361) 1.350 7.806 ( 0.035 -9.326 1.260) 9.411 7.845 ( -1.746 -6.293 -0.892) 6.591 7.892 ( -0.755 4.053 -0.973) 4.236 8.043 ( 1.026 5.688 2.167) 6.173 8.436 ( 1.141 -0.851 -3.691) 3.956 8.745 ( 1.763 -2.950 2.769) 4.413 8.772 ( 0.164 -2.958 0.201) 2.969 9.019 ( 2.251 -3.737 3.240) 5.434 9.037 ( 1.078 -2.252 -3.632) 4.407 9.492 ( 5.856 2.789 -1.007) 6.564 9.602 ( -2.991 2.255 0.318) 3.759 10.069 ( 3.295 1.757 0.770) 3.813 10.262 ( -4.396 3.683 -0.300) 5.743 10.431 ( -2.155 0.985 0.225) 2.379 10.582 ( 0.221 2.836 -0.621) 2.912 10.763 ( 0.066 -4.418 0.079) 4.419 10.842 ( -2.350 -3.957 0.362) 4.616 10.935 ( -1.786 0.674 0.347) 1.940 11.119 ( 1.992 9.610 -0.247) 9.817 11.209 ( 1.796 -1.644 -0.439) 2.475 11.316 ( 4.235 1.304 0.295) 4.441 11.716 ( -1.119 -1.640 0.557) 2.062 11.770 ( -0.506 -2.832 -0.786) 2.982 12.135 ( 0.284 3.955 0.014) 3.965 12.173 ( 0.072 2.117 0.119) 2.122 12.782 ( -0.400 3.751 0.186) 3.777 12.862 ( -0.302 3.183 -0.156) 3.201 13.088 ( 0.375 -7.798 -0.505) 7.824 13.307 ( 0.022 -6.407 0.500) 6.427 15.986 ( -1.728 0.184 0.050) 1.738 16.130 ( -0.529 -2.522 -0.082) 2.578 17.988 ( 6.914 -2.120 -0.534) 7.251 18.117 ( -6.674 -4.212 1.357) 8.007 18.360 ( 0.223 5.566 -0.385) 5.584 18.403 ( -0.734 6.206 -1.221) 6.368 18.739 ( 2.703 -6.846 1.374) 7.487 19.021 ( -2.018 3.910 -0.995) 4.511 19.318 ( 5.856 0.041 0.453) 5.873 19.404 ( -4.577 2.764 0.252) 5.353 19.676 ( 9.210 -6.569 -0.459) 11.322 19.864 ( -13.075 -7.341 0.182) 14.996 21.267 ( 13.417 7.255 -0.136) 15.254 21.471 ( -10.627 7.564 0.142) 13.045 21.949 ( 0.307 -5.028 0.022) 5.038 22.045 ( -0.036 1.446 -0.316) 1.481 22.062 ( -0.558 2.227 0.473) 2.344 22.301 ( 0.419 -4.921 -0.295) 4.948 22.885 ( -0.553 5.508 0.363) 5.548 23.093 ( 1.008 -3.464 -0.610) 3.659 23.262 ( -0.554 -1.205 0.439) 1.397 23.450 ( 1.089 -4.747 -0.077) 4.871 ======================= Grid point 31 (24/102) ======================= q-point: (-0.18 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.000 16.562 -0.000) 16.562 1.274 ( 0.000 11.030 -0.000) 11.030 1.491 ( 0.000 9.258 -0.000) 9.258 1.724 ( 0.000 7.113 -0.000) 7.113 1.991 ( 0.000 7.161 -0.000) 7.161 2.168 ( 0.000 10.993 -0.000) 10.993 2.251 ( 0.000 14.174 -0.000) 14.174 2.317 ( -0.000 -7.181 0.000) 7.181 2.372 ( 0.000 14.873 -0.000) 14.873 2.596 ( -0.000 -1.200 0.000) 1.200 2.745 ( -0.000 -2.696 0.000) 2.696 2.855 ( 0.000 5.850 -0.000) 5.850 2.959 ( 0.000 7.518 -0.000) 7.518 3.044 ( -0.000 -1.126 0.000) 1.126 3.228 ( 0.000 0.900 -0.000) 0.900 3.245 ( -0.000 -3.331 0.000) 3.331 3.368 ( -0.000 -0.584 0.000) 0.584 3.372 ( -0.000 -4.759 0.000) 4.759 3.498 ( 0.000 6.011 -0.000) 6.011 3.633 ( -0.000 -5.930 0.000) 5.930 3.660 ( -0.000 -2.029 0.000) 2.029 3.804 ( -0.000 -2.527 0.000) 2.527 3.824 ( -0.000 -3.442 0.000) 3.442 3.866 ( -0.000 -2.635 0.000) 2.635 3.968 ( -0.000 -0.766 0.000) 0.766 4.099 ( -0.000 -0.768 0.000) 0.768 4.329 ( -0.000 -3.516 0.000) 3.516 4.432 ( 0.000 1.408 -0.000) 1.408 4.444 ( -0.000 -3.314 0.000) 3.314 4.719 ( -0.000 -1.729 0.000) 1.729 4.860 ( 0.000 1.581 -0.000) 1.581 4.887 ( 0.000 1.590 -0.000) 1.590 5.089 ( -0.000 -2.609 0.000) 2.609 5.162 ( 0.000 5.999 -0.000) 5.999 5.240 ( -0.000 -1.901 0.000) 1.901 5.364 ( 0.000 0.128 -0.000) 0.128 5.479 ( -0.000 -0.756 0.000) 0.756 5.566 ( -0.000 -5.641 0.000) 5.641 5.615 ( 0.000 2.153 -0.000) 2.153 5.646 ( 0.000 3.733 -0.000) 3.733 5.812 ( 0.000 0.802 -0.000) 0.802 6.107 ( 0.000 4.407 -0.000) 4.407 6.142 ( -0.000 -1.062 0.000) 1.062 6.147 ( 0.000 1.591 -0.000) 1.591 6.393 ( -0.000 -1.882 0.000) 1.882 6.393 ( -0.000 -2.042 0.000) 2.042 6.637 ( 0.000 3.564 -0.000) 3.564 6.841 ( -0.000 -2.380 0.000) 2.380 6.951 ( 0.000 5.251 -0.000) 5.251 7.034 ( -0.000 -5.420 0.000) 5.420 7.531 ( 0.000 0.033 -0.000) 0.033 7.840 ( 0.000 1.256 -0.000) 1.256 7.956 ( -0.000 -6.898 0.000) 6.898 7.968 ( 0.000 3.442 -0.000) 3.442 7.999 ( -0.000 -10.904 0.000) 10.904 8.431 ( 0.000 0.830 -0.000) 0.830 8.806 ( -0.000 -2.585 0.000) 2.585 8.827 ( -0.000 -2.414 0.000) 2.414 9.053 ( 0.000 0.669 -0.000) 0.669 9.086 ( -0.000 -2.660 0.000) 2.660 9.463 ( 0.000 2.794 -0.000) 2.794 9.561 ( 0.000 1.518 -0.000) 1.518 10.042 ( 0.000 1.801 -0.000) 1.801 10.147 ( 0.000 6.419 -0.000) 6.419 10.443 ( -0.000 -2.840 0.000) 2.840 10.553 ( 0.000 0.503 -0.000) 0.503 10.794 ( -0.000 -0.436 0.000) 0.436 10.916 ( -0.000 -1.177 0.000) 1.177 10.930 ( -0.000 -0.855 0.000) 0.855 11.001 ( 0.000 1.682 -0.000) 1.682 11.260 ( -0.000 -2.641 0.000) 2.641 11.334 ( -0.000 -1.123 0.000) 1.123 11.755 ( -0.000 -3.483 0.000) 3.483 11.835 ( -0.000 -4.515 0.000) 4.515 12.068 ( 0.000 3.581 -0.000) 3.581 12.138 ( 0.000 1.987 -0.000) 1.987 12.717 ( 0.000 3.098 -0.000) 3.098 12.808 ( 0.000 2.730 -0.000) 2.730 13.236 ( -0.000 -8.645 0.000) 8.645 13.429 ( -0.000 -6.991 0.000) 6.991 15.979 ( -0.000 -0.112 0.000) 0.112 16.179 ( -0.000 -3.243 0.000) 3.243 18.050 ( -0.000 -0.427 0.000) 0.427 18.128 ( 0.000 2.844 -0.000) 2.844 18.251 ( 0.000 10.061 -0.000) 10.061 18.260 ( 0.000 0.894 -0.000) 0.894 18.940 ( -0.000 -13.224 0.000) 13.224 19.016 ( -0.000 -4.433 0.000) 4.433 19.313 ( 0.000 2.170 -0.000) 2.170 19.413 ( -0.000 -4.961 0.000) 4.961 19.845 ( -0.000 -6.823 0.000) 6.823 19.935 ( -0.000 -7.765 0.000) 7.765 21.209 ( 0.000 13.754 -0.000) 13.754 21.218 ( 0.000 7.508 -0.000) 7.508 21.990 ( 0.000 3.687 -0.000) 3.687 22.003 ( 0.000 3.754 -0.000) 3.754 22.066 ( -0.000 -6.437 0.000) 6.437 22.412 ( -0.000 -6.835 0.000) 6.835 22.776 ( 0.000 6.444 -0.000) 6.444 23.141 ( -0.000 -1.454 0.000) 1.454 23.264 ( 0.000 0.855 -0.000) 0.855 23.535 ( -0.000 -4.261 0.000) 4.261 ======================= Grid point 36 (25/102) ======================= q-point: ( 0.27 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 21.998 0.000 -0.242) 22.000 1.142 ( 22.597 0.000 -1.598) 22.653 1.394 ( 12.788 0.000 -3.326) 13.213 1.520 ( 16.023 0.000 1.400) 16.084 2.022 ( 28.850 0.000 2.274) 28.939 2.029 ( 6.866 0.000 3.130) 7.546 2.236 ( 2.513 0.000 2.446) 3.507 2.340 ( 5.406 0.000 -0.463) 5.425 2.425 ( 5.044 0.000 2.411) 5.591 2.553 ( 4.876 0.000 -7.679) 9.096 2.651 ( -3.612 -0.000 -1.576) 3.941 2.765 ( 8.934 0.000 -9.806) 13.266 2.851 ( 0.716 0.000 4.010) 4.073 2.959 ( -2.347 -0.000 8.052) 8.387 3.090 ( -2.943 -0.000 6.173) 6.839 3.170 ( -2.873 -0.000 -2.924) 4.099 3.350 ( 0.203 0.000 4.094) 4.099 3.440 ( -0.222 -0.000 -3.417) 3.424 3.471 ( -0.873 -0.000 0.690) 1.113 3.660 ( -2.528 -0.000 -0.896) 2.682 3.705 ( 2.276 0.000 -6.929) 7.293 3.772 ( 3.539 0.000 -1.604) 3.885 3.889 ( -1.465 -0.000 5.717) 5.902 3.998 ( -1.591 -0.000 -3.861) 4.176 4.107 ( 1.724 0.000 4.010) 4.365 4.132 ( -9.634 -0.000 0.535) 9.649 4.351 ( -7.687 -0.000 2.923) 8.224 4.456 ( -1.665 -0.000 -5.129) 5.393 4.554 ( -9.505 -0.000 -0.129) 9.506 4.668 ( -2.040 -0.000 0.125) 2.044 4.809 ( -6.799 -0.000 3.050) 7.452 4.879 ( -3.066 -0.000 0.364) 3.087 5.060 ( -4.106 -0.000 -2.148) 4.634 5.071 ( -4.756 -0.000 -1.375) 4.951 5.101 ( 8.309 0.000 -3.771) 9.125 5.147 ( -7.500 -0.000 5.108) 9.074 5.181 ( -7.478 -0.000 3.619) 8.308 5.293 ( -3.607 -0.000 -2.799) 4.565 5.310 ( -8.243 -0.000 -3.064) 8.794 5.823 ( 3.236 0.000 2.129) 3.874 5.856 ( -5.371 -0.000 6.748) 8.624 5.939 ( -0.707 -0.000 -5.845) 5.887 6.088 ( 3.929 0.000 -3.270) 5.112 6.256 ( -5.129 -0.000 0.799) 5.191 6.683 ( 7.785 0.000 -5.095) 9.304 6.757 ( 5.410 0.000 5.771) 7.910 6.895 ( 6.057 0.000 1.523) 6.246 6.981 ( 3.729 0.000 1.223) 3.924 7.386 ( 13.139 0.000 -8.092) 15.431 7.547 ( 5.109 0.000 -4.066) 6.529 7.804 ( 1.078 0.000 6.654) 6.741 7.907 ( -5.817 -0.000 -9.672) 11.287 7.907 ( -4.192 -0.000 2.900) 5.098 8.206 ( -6.556 -0.000 13.191) 14.731 8.316 ( -7.217 -0.000 3.534) 8.036 8.542 ( 1.501 0.000 -4.902) 5.126 8.707 ( -2.579 -0.000 -0.044) 2.579 8.760 ( -6.361 -0.000 1.145) 6.463 9.146 ( 11.600 0.000 -3.745) 12.189 9.435 ( 2.914 0.000 4.994) 5.782 9.724 ( -9.971 -0.000 -9.316) 13.646 9.746 ( 9.060 0.000 -5.095) 10.394 10.047 ( -12.019 -0.000 5.350) 13.156 10.112 ( 0.014 0.000 3.024) 3.024 10.263 ( -4.355 -0.000 5.340) 6.891 10.503 ( 4.710 0.000 -14.436) 15.185 10.740 ( 0.824 0.000 3.598) 3.691 10.837 ( 3.790 0.000 -0.368) 3.808 11.064 ( 10.838 0.000 -4.029) 11.563 11.269 ( 5.302 0.000 6.534) 8.414 11.438 ( 8.703 0.000 1.821) 8.892 11.575 ( -1.393 -0.000 -3.307) 3.588 11.801 ( -3.867 -0.000 -0.792) 3.948 11.815 ( -2.499 -0.000 1.683) 3.013 12.545 ( 0.812 0.000 0.471) 0.939 12.568 ( -3.538 -0.000 -0.201) 3.544 12.891 ( 15.325 0.000 1.711) 15.421 13.134 ( 7.450 0.000 -3.967) 8.440 13.485 ( -4.398 -0.000 0.453) 4.422 13.522 ( -4.866 -0.000 -0.146) 4.868 16.151 ( -8.853 -0.000 -10.513) 13.744 16.339 ( -14.945 -0.000 8.258) 17.075 17.827 ( 10.750 0.000 1.244) 10.821 17.874 ( 7.355 0.000 -1.456) 7.497 18.341 ( 8.879 0.000 0.382) 8.887 18.552 ( 3.614 0.000 -3.321) 4.908 18.971 ( -12.034 -0.000 1.854) 12.176 19.048 ( -11.258 -0.000 -0.417) 11.265 19.898 ( -2.280 -0.000 -2.077) 3.084 19.904 ( -3.623 -0.000 0.386) 3.643 20.153 ( 1.564 0.000 -0.520) 1.648 20.666 ( 9.371 0.000 10.318) 13.938 20.885 ( 14.042 0.000 0.702) 14.059 21.457 ( 14.723 0.000 -33.690) 36.767 21.888 ( -6.979 -0.000 15.040) 16.580 21.995 ( -0.250 -0.000 4.075) 4.083 22.077 ( 7.188 0.000 0.997) 7.256 22.424 ( -1.554 -0.000 0.073) 1.556 22.475 ( 0.907 0.000 -2.037) 2.230 22.700 ( -4.625 -0.000 5.157) 6.927 22.840 ( -4.470 -0.000 -0.290) 4.480 22.841 ( -8.321 -0.000 -1.769) 8.507 ======================= Grid point 37 (26/102) ======================= q-point: ( 0.36 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 15.740 -2.923 2.128) 16.150 1.348 ( 19.390 -5.230 -1.745) 20.159 1.423 ( 10.856 4.094 1.639) 11.717 1.716 ( 14.381 -6.320 -2.014) 15.837 2.056 ( 7.098 1.227 -3.282) 7.915 2.146 ( 4.720 3.846 -0.417) 6.103 2.259 ( 3.399 -2.776 2.758) 5.183 2.402 ( 7.705 -2.586 0.351) 8.135 2.518 ( -0.257 -5.263 2.455) 5.813 2.613 ( 4.036 -4.919 -3.477) 7.251 2.628 ( 5.160 1.300 -1.911) 5.654 2.810 ( -0.017 -0.758 2.482) 2.595 2.927 ( 3.710 -5.066 -2.384) 6.716 2.954 ( 1.093 -0.524 5.083) 5.226 3.105 ( 1.718 -0.968 5.166) 5.529 3.136 ( -4.734 0.639 -2.405) 5.348 3.376 ( -0.485 -1.243 0.009) 1.334 3.396 ( 1.502 3.339 -2.899) 4.670 3.481 ( 3.428 0.371 2.805) 4.445 3.630 ( -0.864 0.922 -2.816) 3.086 3.685 ( -2.760 3.649 -1.955) 4.976 3.809 ( 7.645 -2.678 -4.227) 9.137 3.860 ( -4.537 1.621 5.735) 7.490 3.908 ( -3.131 5.630 -3.624) 7.392 4.005 ( -3.752 4.971 2.406) 6.677 4.184 ( -1.598 1.262 0.401) 2.076 4.288 ( -4.740 -1.642 1.805) 5.331 4.447 ( -4.493 1.012 -2.794) 5.386 4.454 ( -2.865 2.994 -0.140) 4.146 4.609 ( -2.719 1.997 0.602) 3.427 4.751 ( -5.951 0.876 3.807) 7.119 4.927 ( -6.074 -2.274 -1.889) 6.755 4.980 ( -9.392 0.247 -1.402) 9.500 5.040 ( -2.106 1.485 0.965) 2.752 5.075 ( -2.677 -1.143 0.079) 2.912 5.131 ( -6.899 -0.799 1.103) 7.032 5.231 ( 2.733 -4.307 -1.708) 5.379 5.257 ( -3.704 -2.007 0.555) 4.249 5.322 ( -1.987 -5.593 -1.870) 6.223 5.773 ( 0.374 4.216 2.788) 5.068 5.885 ( -4.054 -3.061 2.037) 5.473 5.984 ( 0.031 -5.102 -2.655) 5.752 6.126 ( 5.289 -0.411 -1.860) 5.622 6.242 ( -1.141 -2.154 -0.062) 2.438 6.722 ( 7.399 0.772 -4.674) 8.786 6.793 ( 3.212 0.681 5.363) 6.288 6.936 ( 7.330 1.241 -0.421) 7.446 7.019 ( 1.061 -1.315 2.665) 3.156 7.409 ( 6.734 4.212 -5.330) 9.565 7.576 ( -0.960 -0.287 -2.131) 2.354 7.784 ( -1.435 3.085 3.487) 4.872 7.815 ( -4.062 4.626 -5.736) 8.414 7.891 ( 0.588 -0.813 3.604) 3.741 8.204 ( -6.446 -2.284 7.214) 9.940 8.285 ( -1.343 -0.116 0.405) 1.408 8.445 ( -1.515 7.724 -1.220) 7.965 8.687 ( -1.297 0.617 0.534) 1.532 8.758 ( -5.772 -2.944 -0.390) 6.491 9.227 ( 8.692 -0.183 -3.753) 9.469 9.370 ( 1.166 8.950 1.047) 9.086 9.522 ( -6.292 11.091 -3.636) 13.260 9.797 ( 4.858 -0.798 -2.227) 5.403 10.004 ( -2.023 -0.996 1.513) 2.716 10.096 ( -0.742 1.403 2.182) 2.698 10.285 ( -3.609 -3.310 6.056) 7.788 10.516 ( 4.688 -0.327 -9.787) 10.857 10.729 ( 1.261 1.969 3.058) 3.850 10.861 ( 2.046 1.278 -0.504) 2.464 11.152 ( 10.847 -2.570 -0.922) 11.185 11.389 ( 5.583 -5.472 3.945) 8.756 11.474 ( 6.826 2.933 1.421) 7.564 11.536 ( -2.211 1.330 -4.227) 4.952 11.761 ( -2.848 0.731 0.101) 2.942 11.830 ( -2.200 -2.039 0.531) 3.047 12.544 ( -2.086 -1.188 -0.289) 2.418 12.575 ( -1.015 -2.522 0.153) 2.723 12.867 ( 12.610 13.838 0.950) 18.745 13.054 ( 10.344 13.485 -1.277) 17.043 13.412 ( -6.916 2.301 -0.127) 7.289 13.487 ( -4.538 2.099 0.169) 5.003 16.053 ( -7.951 0.944 -4.536) 9.202 16.250 ( -13.552 0.036 3.854) 14.089 17.823 ( 9.349 5.734 0.137) 10.968 17.973 ( 5.706 -2.696 -0.207) 6.315 18.242 ( 12.777 6.907 0.011) 14.524 18.767 ( 0.437 -5.826 -1.686) 6.081 18.919 ( -8.041 -0.256 1.736) 8.231 19.021 ( -14.525 -12.071 -0.266) 18.888 19.722 ( -4.429 12.005 -1.821) 12.925 19.829 ( -1.340 8.704 2.899) 9.271 20.075 ( 1.766 8.773 -4.590) 10.058 20.664 ( 8.396 10.927 8.077) 15.973 21.024 ( 11.893 -3.727 0.801) 12.489 21.378 ( 13.685 6.511 -16.046) 22.072 21.826 ( -0.331 -1.414 8.599) 8.721 21.992 ( 2.106 0.304 -0.464) 2.178 22.310 ( -3.144 1.293 2.101) 3.996 22.405 ( 0.723 -6.392 -2.360) 6.852 22.540 ( -0.512 -6.715 -1.990) 7.022 22.709 ( -5.759 -6.058 3.074) 8.906 22.843 ( -6.536 -5.452 0.499) 8.526 22.864 ( -5.284 -6.631 -0.780) 8.514 ======================= Grid point 38 (27/102) ======================= q-point: ( 0.45 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 4.162 -4.489 4.991) 7.898 1.414 ( 6.908 0.863 3.766) 7.915 1.631 ( 19.631 -7.992 -2.212) 21.311 1.876 ( 12.743 -0.992 -7.068) 14.606 2.024 ( -0.538 3.822 -6.708) 7.739 2.159 ( 6.740 -1.923 -1.667) 7.205 2.334 ( -0.353 -3.561 4.138) 5.470 2.489 ( -4.026 -4.891 1.995) 6.642 2.565 ( -3.794 -0.846 5.176) 6.473 2.649 ( 1.449 -0.497 1.210) 1.952 2.741 ( 3.028 -0.637 0.803) 3.197 2.835 ( 3.851 -4.211 -0.785) 5.760 2.992 ( 1.571 -4.379 2.994) 5.532 3.063 ( -5.160 -0.807 0.349) 5.234 3.104 ( 5.748 -4.684 -4.771) 8.817 3.152 ( 5.434 -0.614 1.911) 5.793 3.340 ( 4.770 3.362 -3.349) 6.728 3.387 ( -5.313 -2.240 -0.642) 5.801 3.516 ( 5.088 0.789 3.922) 6.472 3.563 ( -2.140 3.561 -2.185) 4.694 3.628 ( -1.901 0.106 -3.212) 3.734 3.775 ( -1.810 6.020 2.878) 6.913 3.796 ( -1.787 3.656 -0.607) 4.114 3.894 ( -4.818 2.867 0.178) 5.609 3.942 ( 10.208 -2.600 -0.252) 10.537 4.102 ( -2.015 4.218 -0.783) 4.740 4.267 ( -1.222 3.085 0.925) 3.445 4.367 ( -7.331 1.948 1.233) 7.685 4.408 ( 0.470 1.759 -4.537) 4.889 4.581 ( -4.990 -1.254 2.825) 5.870 4.689 ( -8.197 2.189 6.042) 10.416 4.893 ( -3.121 -1.789 -4.223) 5.548 4.919 ( -12.466 -1.746 0.296) 12.591 4.999 ( 2.688 0.675 -1.651) 3.226 5.052 ( -5.089 -0.278 0.074) 5.097 5.196 ( 0.110 -4.997 -3.077) 5.870 5.256 ( -2.342 -4.429 1.783) 5.318 5.372 ( -3.830 -8.034 0.985) 8.955 5.441 ( 7.369 -5.473 -0.032) 9.179 5.724 ( 1.657 2.464 1.265) 3.227 5.899 ( -5.083 -1.782 0.707) 5.432 6.042 ( -2.869 -2.584 -1.073) 4.007 6.186 ( 5.107 -2.635 -0.836) 5.807 6.317 ( 3.997 -4.313 -0.499) 5.901 6.738 ( 4.762 1.755 -3.944) 6.427 6.807 ( 3.747 1.685 4.807) 6.324 6.946 ( 5.208 3.056 -1.531) 6.230 7.049 ( 0.231 -0.917 3.352) 3.483 7.316 ( 0.204 8.008 -2.779) 8.479 7.483 ( -5.147 7.916 0.543) 9.457 7.680 ( -3.539 4.272 -4.264) 6.997 7.731 ( 1.291 4.353 3.949) 6.017 7.950 ( 2.072 -1.876 -0.805) 2.909 8.155 ( -8.362 1.798 0.693) 8.581 8.273 ( -1.537 1.883 0.901) 2.592 8.387 ( 3.212 -2.653 1.350) 4.379 8.683 ( 1.581 0.750 2.918) 3.402 8.751 ( -5.192 -1.941 -2.291) 5.998 9.087 ( 0.050 14.821 -1.881) 14.940 9.240 ( -3.645 13.024 0.393) 13.530 9.384 ( 5.938 -2.331 -3.555) 7.303 9.824 ( 0.662 0.086 0.809) 1.049 10.045 ( 4.570 -0.418 -0.933) 4.683 10.094 ( 1.383 -2.194 0.313) 2.612 10.334 ( -4.501 -4.055 6.097) 8.595 10.541 ( 4.147 -0.732 -6.282) 7.562 10.708 ( 0.665 1.906 2.070) 2.892 10.826 ( 0.275 3.063 0.168) 3.080 11.281 ( 8.943 -2.664 0.470) 9.343 11.415 ( 0.389 5.309 -1.016) 5.420 11.482 ( 7.643 3.844 -0.947) 8.607 11.545 ( 3.035 -3.453 1.144) 4.737 11.730 ( -2.878 0.571 0.152) 2.938 11.846 ( -2.785 -1.537 -0.026) 3.181 12.572 ( -0.465 -2.927 -1.235) 3.211 12.632 ( 1.269 -3.167 0.836) 3.513 12.660 ( 7.654 15.865 0.423) 17.620 12.829 ( 8.658 19.008 0.149) 20.888 13.311 ( -6.905 3.910 -0.515) 7.952 13.387 ( -4.391 4.432 0.526) 6.261 15.998 ( -5.840 -1.073 -1.444) 6.111 16.159 ( -9.423 1.086 1.151) 9.555 17.806 ( 7.824 2.854 -0.021) 8.328 18.025 ( 0.079 -0.857 -0.015) 0.861 18.288 ( 13.111 0.833 0.152) 13.138 18.762 ( -1.113 2.811 -1.488) 3.369 18.840 ( -5.494 1.829 1.300) 5.935 19.200 ( -12.353 -14.319 0.520) 18.919 19.479 ( -3.991 9.515 -1.182) 10.385 19.647 ( 1.132 11.424 6.055) 12.979 19.883 ( 0.491 11.522 -8.503) 14.329 20.459 ( 6.811 18.507 3.883) 20.099 21.167 ( 12.084 -2.429 0.537) 12.337 21.425 ( 7.139 -3.114 -4.166) 8.833 21.899 ( 0.665 -4.189 1.587) 4.528 22.016 ( 1.711 -0.983 1.983) 2.798 22.192 ( -3.436 6.114 -0.680) 7.047 22.421 ( -1.623 2.844 0.898) 3.396 22.668 ( 3.062 -6.860 -3.222) 8.174 22.861 ( -7.679 -13.314 1.093) 15.409 22.903 ( -4.653 -5.547 0.740) 7.278 22.968 ( -4.312 -8.446 -0.042) 9.483 ======================= Grid point 39 (28/102) ======================= q-point: ( 0.55 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 2.365 -6.408 -0.814) 6.879 1.515 ( 2.512 -5.962 5.488) 8.484 1.854 ( 11.442 1.441 -1.896) 11.687 1.899 ( 10.839 1.256 -5.574) 12.253 2.006 ( -1.283 -3.689 -2.528) 4.652 2.225 ( 2.085 -2.967 -1.883) 4.086 2.383 ( -2.020 -0.589 4.963) 5.391 2.520 ( 2.293 2.512 1.526) 3.728 2.525 ( -13.398 -3.072 6.858) 15.361 2.643 ( 1.840 2.540 -1.428) 3.446 2.755 ( -0.041 -3.611 -1.474) 3.900 2.964 ( 8.484 -2.178 -2.416) 9.087 3.001 ( -5.809 0.246 1.907) 6.119 3.104 ( 1.051 -5.326 0.232) 5.434 3.182 ( 4.093 1.719 0.201) 4.443 3.210 ( -1.711 -1.803 -1.200) 2.760 3.325 ( 5.307 1.154 -4.565) 7.095 3.428 ( 4.190 -0.888 1.354) 4.492 3.517 ( -4.671 -4.374 -0.183) 6.402 3.535 ( 2.361 0.592 -0.684) 2.529 3.614 ( -3.206 0.348 2.165) 3.884 3.681 ( 1.498 4.527 -0.420) 4.787 3.749 ( -1.217 -0.015 -0.376) 1.274 3.811 ( -1.826 2.181 0.263) 2.857 3.956 ( -4.657 6.247 1.953) 8.033 4.089 ( 7.927 -3.655 -1.512) 8.859 4.174 ( -2.274 4.683 0.218) 5.211 4.322 ( -0.218 5.023 -3.496) 6.124 4.373 ( -4.370 -4.131 0.594) 6.043 4.579 ( -8.915 0.126 0.367) 8.924 4.600 ( -2.856 -0.248 5.913) 6.571 4.885 ( -7.778 -3.507 2.284) 8.833 4.956 ( 4.373 -4.778 -6.652) 9.284 5.020 ( 0.988 -1.494 -0.098) 1.793 5.067 ( -3.097 -4.421 0.382) 5.412 5.237 ( -2.829 -2.093 -1.310) 3.755 5.349 ( 0.477 -4.800 1.417) 5.027 5.473 ( -2.877 -6.320 -0.203) 6.947 5.597 ( 9.670 -4.136 0.313) 10.522 5.708 ( 2.139 1.609 1.830) 3.242 5.878 ( -4.154 -0.091 -0.750) 4.222 6.061 ( -3.895 -3.146 0.422) 5.025 6.240 ( 2.984 0.550 -1.722) 3.489 6.433 ( 3.142 -5.398 -0.126) 6.247 6.712 ( 1.299 2.525 -2.156) 3.565 6.800 ( 5.228 5.965 5.418) 9.606 6.881 ( 1.281 5.525 -2.339) 6.135 7.064 ( 1.821 3.340 1.158) 3.977 7.154 ( -4.897 4.079 -0.929) 6.440 7.264 ( -2.563 12.554 -0.563) 12.826 7.603 ( -1.970 1.762 -0.098) 2.645 7.671 ( 1.978 4.311 0.770) 4.806 7.891 ( -6.521 4.955 -0.923) 8.242 8.125 ( 0.107 -0.565 -0.743) 0.940 8.267 ( -0.785 -2.015 0.233) 2.175 8.455 ( 0.120 0.161 2.752) 2.759 8.670 ( 0.752 1.583 2.017) 2.672 8.776 ( 2.013 -1.567 -2.424) 3.519 8.854 ( -0.360 8.347 -1.791) 8.545 8.995 ( -3.576 9.496 1.171) 10.214 9.477 ( 6.209 -2.803 -2.555) 7.275 9.803 ( -0.603 2.538 1.003) 2.795 10.059 ( 1.746 0.349 0.537) 1.860 10.188 ( 4.595 -4.277 -2.367) 6.709 10.387 ( -5.652 -5.101 5.265) 9.257 10.578 ( 4.146 -1.178 -4.728) 6.398 10.674 ( 0.162 2.785 1.801) 3.321 10.775 ( -2.632 1.271 0.490) 2.963 11.269 ( 0.159 8.027 -0.734) 8.062 11.381 ( 6.126 1.816 2.607) 6.901 11.443 ( 8.147 5.798 -3.747) 10.678 11.598 ( 2.790 1.118 1.622) 3.415 11.703 ( -1.489 0.535 0.352) 1.621 11.830 ( -3.568 1.097 -0.406) 3.755 12.436 ( 7.078 13.282 -0.061) 15.050 12.533 ( 2.489 16.094 0.066) 16.285 12.650 ( -0.691 -5.155 -0.702) 5.249 12.740 ( 1.834 -5.424 0.767) 5.777 13.173 ( -4.804 6.028 -0.637) 7.734 13.288 ( -3.501 3.819 0.701) 5.228 15.992 ( -3.369 -1.939 -0.866) 3.982 16.087 ( -5.373 0.955 0.661) 5.497 17.836 ( 6.381 -0.121 -0.093) 6.382 18.015 ( -4.572 -0.418 0.135) 4.593 18.355 ( 7.926 0.895 0.666) 8.004 18.667 ( -1.761 5.702 -1.601) 6.179 18.801 ( 0.417 1.698 -0.031) 1.748 19.287 ( -2.539 -3.385 0.035) 4.231 19.397 ( -4.535 -1.712 4.005) 6.288 19.500 ( 0.810 6.332 4.165) 7.623 19.667 ( -3.060 9.082 -9.244) 13.315 20.160 ( 3.065 19.656 1.848) 19.979 21.294 ( 12.351 -1.670 0.708) 12.484 21.513 ( -0.005 -3.778 -1.277) 3.988 21.974 ( 1.095 -3.364 -1.489) 3.838 22.035 ( -0.695 1.430 2.538) 2.995 22.071 ( -2.402 3.671 -0.249) 4.394 22.348 ( -1.461 3.591 0.660) 3.932 22.808 ( 4.230 -6.239 -2.173) 7.845 22.963 ( -3.480 -4.309 0.723) 5.586 23.016 ( -5.508 -9.189 1.080) 10.768 23.094 ( -2.124 -8.736 -0.472) 9.003 ======================= Grid point 40 (29/102) ======================= q-point: ( 0.64 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 2.440 -3.138 -2.898) 4.919 1.652 ( 2.111 -6.836 1.316) 7.275 1.830 ( 4.232 1.458 -4.574) 6.400 1.941 ( -2.083 0.963 8.418) 8.725 2.019 ( -0.690 1.971 -1.503) 2.573 2.289 ( 0.842 0.399 -0.959) 1.337 2.372 ( 4.845 2.546 -1.011) 5.566 2.474 ( -2.219 -2.515 2.268) 4.048 2.547 ( -6.578 -4.800 0.990) 8.203 2.581 ( -1.066 5.112 0.176) 5.225 2.855 ( 6.989 -4.564 -2.846) 8.819 2.952 ( -5.833 -2.346 1.452) 6.453 3.042 ( 4.928 4.199 -0.799) 6.523 3.122 ( 0.117 1.383 0.649) 1.532 3.161 ( 0.806 1.262 -0.074) 1.500 3.235 ( -4.115 -5.486 -0.275) 6.863 3.329 ( 4.167 2.652 -3.774) 6.216 3.389 ( -1.264 8.053 1.653) 8.317 3.514 ( -3.262 4.859 0.314) 5.861 3.560 ( 1.446 -1.777 0.629) 2.376 3.615 ( 1.867 -1.390 3.840) 4.490 3.680 ( 1.259 -6.073 -1.880) 6.481 3.701 ( -5.075 1.733 -1.738) 5.637 3.825 ( 1.526 -2.334 0.805) 2.902 3.956 ( 4.146 -5.636 -1.313) 7.119 4.091 ( -2.825 0.434 -0.534) 2.907 4.133 ( -4.517 3.844 2.425) 6.408 4.297 ( 5.639 -3.770 -3.230) 7.513 4.413 ( -3.562 -3.132 0.524) 4.772 4.492 ( -6.864 1.424 1.580) 7.186 4.659 ( 1.829 -4.184 0.997) 4.674 4.912 ( -3.252 -2.843 0.295) 4.329 5.048 ( 4.700 -2.463 -2.576) 5.898 5.088 ( 1.033 -4.451 1.659) 4.861 5.154 ( -1.705 -7.278 2.278) 7.814 5.222 ( -2.540 0.605 -3.835) 4.639 5.432 ( -0.400 -4.484 1.218) 4.664 5.534 ( -0.673 -1.624 -0.366) 1.795 5.655 ( 2.059 2.975 -1.858) 4.067 5.746 ( 7.297 -1.356 4.687) 8.778 5.853 ( -3.714 -0.928 -2.325) 4.479 6.108 ( -0.743 -3.906 2.349) 4.619 6.206 ( -1.931 2.549 -3.031) 4.406 6.503 ( -0.073 0.064 -0.488) 0.498 6.596 ( 0.965 15.331 0.822) 15.384 6.718 ( 1.761 -1.318 0.513) 2.259 6.825 ( 2.242 6.601 4.065) 8.070 6.906 ( -4.205 7.676 -4.350) 9.773 7.039 ( 0.221 10.263 -1.616) 10.391 7.161 ( -0.663 -1.531 1.699) 2.381 7.589 ( -0.158 -0.714 2.944) 3.034 7.619 ( 1.732 2.664 -2.534) 4.064 7.762 ( -6.010 2.808 -0.575) 6.658 8.096 ( -0.018 4.273 -0.314) 4.285 8.320 ( 2.986 -0.540 -4.321) 5.280 8.348 ( -2.770 6.687 4.683) 8.620 8.676 ( -0.601 -1.350 0.411) 1.533 8.734 ( 0.655 3.123 1.241) 3.424 8.865 ( 4.605 -3.127 -0.145) 5.569 8.921 ( -2.671 -2.893 -1.048) 4.074 9.548 ( 4.776 -0.806 -0.962) 4.938 9.735 ( -1.014 4.362 -0.004) 4.478 10.070 ( 0.719 -0.356 1.115) 1.374 10.263 ( 0.986 -2.026 -1.866) 2.925 10.471 ( -3.007 -7.324 2.803) 8.399 10.581 ( 0.641 3.353 -1.870) 3.892 10.648 ( 2.008 0.436 0.251) 2.071 10.758 ( -3.253 -1.815 0.351) 3.742 11.113 ( -0.026 8.742 -0.306) 8.747 11.322 ( 2.472 7.278 0.325) 7.693 11.403 ( 4.986 4.960 -0.107) 7.034 11.551 ( 3.296 7.364 -0.044) 8.068 11.695 ( 0.414 0.095 0.541) 0.688 11.755 ( -4.004 2.647 -0.586) 4.835 12.298 ( 2.833 6.827 -0.032) 7.392 12.319 ( 0.349 8.697 0.058) 8.704 12.746 ( -0.013 -5.853 -0.645) 5.888 12.853 ( 0.791 -5.103 0.776) 5.222 13.045 ( -1.439 5.329 -0.649) 5.558 13.210 ( -2.241 2.178 0.568) 3.176 15.997 ( -1.503 -0.416 -0.799) 1.752 16.060 ( -1.989 -1.026 0.707) 2.347 17.899 ( 5.624 -1.986 -0.183) 5.967 17.994 ( -5.890 -1.944 0.294) 6.210 18.385 ( 2.538 -0.408 1.060) 2.781 18.550 ( -1.182 5.250 -1.997) 5.740 18.764 ( 1.324 3.444 0.141) 3.692 19.321 ( -0.328 8.361 4.663) 9.579 19.365 ( 8.304 -0.885 -0.199) 8.353 19.484 ( 1.119 0.549 -1.404) 1.877 19.532 ( -10.279 -4.534 -3.303) 11.710 19.846 ( -1.574 15.828 0.833) 15.928 21.402 ( 12.132 0.169 0.579) 12.147 21.543 ( -6.428 -2.474 -0.542) 6.909 21.944 ( -1.375 4.417 -0.010) 4.626 22.031 ( 0.767 -2.170 -2.346) 3.286 22.053 ( -0.849 -0.364 2.127) 2.318 22.288 ( -0.545 2.503 0.606) 2.633 22.929 ( 2.313 -5.161 -1.346) 5.813 22.992 ( -1.239 -0.497 0.613) 1.469 23.127 ( -2.484 -6.740 0.759) 7.223 23.233 ( -0.559 -7.841 -0.342) 7.869 ======================= Grid point 41 (30/102) ======================= q-point: (-0.27 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 0.000 5.388 -0.000) 5.388 1.737 ( 0.000 3.744 -0.000) 3.744 1.826 ( 0.000 3.058 -0.000) 3.058 1.928 ( -0.000 -3.739 0.000) 3.739 1.948 ( 0.000 4.401 -0.000) 4.401 2.238 ( 0.000 7.497 -0.000) 7.497 2.336 ( -0.000 -3.150 0.000) 3.150 2.435 ( 0.000 6.723 -0.000) 6.723 2.601 ( -0.000 -5.575 0.000) 5.575 2.630 ( -0.000 -5.360 0.000) 5.360 2.902 ( 0.000 8.266 -0.000) 8.266 2.923 ( 0.000 2.550 -0.000) 2.550 3.037 ( -0.000 -7.172 0.000) 7.172 3.080 ( 0.000 6.602 -0.000) 6.602 3.151 ( -0.000 -0.048 0.000) 0.048 3.241 ( 0.000 1.231 -0.000) 1.231 3.253 ( 0.000 6.569 -0.000) 6.569 3.317 ( -0.000 -5.853 0.000) 5.853 3.466 ( 0.000 1.237 -0.000) 1.237 3.610 ( -0.000 -0.702 0.000) 0.702 3.650 ( -0.000 -2.681 0.000) 2.681 3.703 ( -0.000 -3.798 0.000) 3.798 3.769 ( -0.000 -3.415 0.000) 3.415 3.820 ( 0.000 4.147 -0.000) 4.147 4.046 ( 0.000 3.245 -0.000) 3.245 4.095 ( -0.000 -3.054 0.000) 3.054 4.119 ( -0.000 -7.646 0.000) 7.646 4.390 ( -0.000 -0.835 0.000) 0.835 4.424 ( -0.000 -1.389 0.000) 1.389 4.493 ( -0.000 -5.766 0.000) 5.766 4.761 ( -0.000 -5.797 0.000) 5.797 4.926 ( -0.000 -0.105 0.000) 0.105 5.108 ( -0.000 -2.625 0.000) 2.625 5.160 ( 0.000 2.354 -0.000) 2.354 5.193 ( -0.000 -6.282 0.000) 6.282 5.277 ( -0.000 -4.140 0.000) 4.140 5.498 ( -0.000 -2.106 0.000) 2.106 5.525 ( 0.000 1.451 -0.000) 1.451 5.592 ( 0.000 3.185 -0.000) 3.185 5.798 ( -0.000 -0.111 0.000) 0.111 5.845 ( 0.000 0.651 -0.000) 0.651 6.121 ( 0.000 2.834 -0.000) 2.834 6.204 ( -0.000 -4.463 0.000) 4.463 6.342 ( 0.000 12.181 -0.000) 12.181 6.455 ( 0.000 3.790 -0.000) 3.790 6.590 ( 0.000 15.175 -0.000) 15.175 6.789 ( 0.000 0.090 -0.000) 0.090 6.840 ( -0.000 -1.971 0.000) 1.971 6.897 ( 0.000 5.832 -0.000) 5.832 7.145 ( 0.000 3.482 -0.000) 3.482 7.563 ( 0.000 2.718 -0.000) 2.718 7.664 ( -0.000 -6.368 0.000) 6.368 7.743 ( -0.000 -3.282 0.000) 3.282 7.990 ( 0.000 6.698 -0.000) 6.698 8.170 ( 0.000 8.275 -0.000) 8.275 8.400 ( -0.000 -3.359 0.000) 3.359 8.708 ( -0.000 -2.490 0.000) 2.490 8.724 ( -0.000 -1.368 0.000) 1.368 8.962 ( -0.000 -4.785 0.000) 4.785 8.975 ( -0.000 -3.727 0.000) 3.727 9.560 ( 0.000 1.681 -0.000) 1.681 9.648 ( 0.000 4.362 -0.000) 4.362 10.086 ( -0.000 -0.732 0.000) 0.732 10.275 ( 0.000 0.285 -0.000) 0.285 10.486 ( 0.000 4.786 -0.000) 4.786 10.624 ( -0.000 -8.831 0.000) 8.831 10.635 ( 0.000 2.327 -0.000) 2.327 10.789 ( -0.000 -2.489 0.000) 2.489 10.984 ( 0.000 5.325 -0.000) 5.325 11.226 ( 0.000 3.525 -0.000) 3.525 11.309 ( 0.000 8.861 -0.000) 8.861 11.404 ( 0.000 7.668 -0.000) 7.668 11.698 ( -0.000 -0.174 0.000) 0.174 11.730 ( -0.000 -1.234 0.000) 1.234 12.211 ( 0.000 4.580 -0.000) 4.580 12.221 ( 0.000 3.440 -0.000) 3.440 12.821 ( -0.000 -0.888 0.000) 0.888 12.899 ( 0.000 0.450 -0.000) 0.450 12.993 ( -0.000 -1.483 0.000) 1.483 13.211 ( -0.000 -3.539 0.000) 3.539 15.986 ( 0.000 0.495 -0.000) 0.495 16.086 ( -0.000 -2.211 0.000) 2.211 17.975 ( -0.000 -2.892 0.000) 2.892 18.011 ( -0.000 -3.546 0.000) 3.546 18.412 ( -0.000 -0.493 0.000) 0.493 18.469 ( 0.000 3.309 -0.000) 3.309 18.709 ( 0.000 2.269 -0.000) 2.269 19.154 ( 0.000 10.094 -0.000) 10.094 19.356 ( 0.000 2.266 -0.000) 2.266 19.476 ( 0.000 4.519 -0.000) 4.519 19.644 ( -0.000 -8.919 0.000) 8.919 19.659 ( 0.000 0.538 -0.000) 0.538 21.427 ( 0.000 3.973 -0.000) 3.973 21.512 ( 0.000 2.090 -0.000) 2.090 21.896 ( -0.000 -0.271 0.000) 0.271 22.054 ( -0.000 -0.403 0.000) 0.403 22.070 ( -0.000 -1.043 0.000) 1.043 22.258 ( 0.000 0.184 -0.000) 0.184 22.962 ( 0.000 3.156 -0.000) 3.156 23.023 ( -0.000 -4.659 0.000) 4.659 23.215 ( -0.000 -3.939 0.000) 3.939 23.355 ( -0.000 -6.276 0.000) 6.276 ======================= Grid point 48 (31/102) ======================= q-point: ( 0.36 0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 18.021 0.000 -1.586) 18.091 1.427 ( 17.704 0.000 -5.375) 18.501 1.559 ( 9.068 0.000 2.288) 9.352 1.738 ( 10.715 0.000 4.525) 11.632 2.087 ( 0.254 0.000 -0.532) 0.589 2.215 ( -0.386 -0.000 4.479) 4.495 2.239 ( 0.112 0.000 -1.097) 1.102 2.378 ( -1.539 -0.000 -2.805) 3.199 2.463 ( -2.434 -0.000 2.115) 3.224 2.650 ( 15.828 0.000 -4.528) 16.462 2.671 ( 3.380 0.000 -6.133) 7.002 2.844 ( 5.121 0.000 -0.660) 5.164 2.894 ( 3.253 0.000 3.545) 4.811 2.937 ( -4.294 -0.000 9.119) 10.079 3.102 ( -3.702 -0.000 -3.590) 5.157 3.140 ( 5.070 0.000 3.597) 6.217 3.323 ( -7.531 -0.000 2.923) 8.079 3.468 ( 6.521 0.000 -8.349) 10.594 3.530 ( 6.763 0.000 2.885) 7.352 3.654 ( 3.677 0.000 1.436) 3.947 3.703 ( 1.151 0.000 -5.860) 5.972 3.790 ( -11.604 -0.000 6.549) 13.324 3.845 ( 6.769 0.000 -4.161) 7.946 3.916 ( -5.565 -0.000 -2.515) 6.107 4.085 ( 0.790 0.000 -1.938) 2.092 4.174 ( 4.573 0.000 3.470) 5.741 4.249 ( -8.522 -0.000 5.809) 10.313 4.415 ( -5.653 -0.000 -2.939) 6.371 4.447 ( 0.165 0.000 -2.202) 2.208 4.638 ( -1.965 -0.000 -0.538) 2.037 4.757 ( -1.522 -0.000 1.751) 2.320 4.793 ( -10.317 -0.000 0.842) 10.351 4.966 ( -7.482 -0.000 -2.754) 7.973 4.981 ( -5.667 -0.000 -3.701) 6.768 5.025 ( -9.860 -0.000 7.500) 12.389 5.104 ( -5.502 -0.000 0.654) 5.540 5.118 ( -4.171 -0.000 2.375) 4.800 5.259 ( -0.443 -0.000 -0.933) 1.033 5.309 ( 9.944 0.000 -5.203) 11.223 5.786 ( -8.318 -0.000 8.105) 11.614 5.892 ( -1.919 -0.000 -4.974) 5.332 5.894 ( 5.503 0.000 -0.877) 5.572 6.179 ( 9.058 0.000 -4.163) 9.969 6.187 ( -5.262 -0.000 2.619) 5.878 6.770 ( 6.770 0.000 -4.912) 8.365 6.838 ( 3.763 0.000 5.243) 6.454 7.001 ( 6.582 0.000 -0.432) 6.596 7.016 ( 0.459 0.000 1.977) 2.030 7.487 ( 5.096 0.000 -5.202) 7.282 7.544 ( -3.969 -0.000 -0.772) 4.043 7.750 ( -7.671 -0.000 -5.029) 9.172 7.870 ( 2.199 0.000 0.952) 2.396 7.899 ( 1.354 0.000 4.597) 4.793 8.145 ( -7.580 -0.000 7.579) 10.719 8.286 ( 1.184 0.000 1.879) 2.221 8.519 ( -0.922 -0.000 -3.415) 3.537 8.656 ( -7.817 -0.000 -0.166) 7.818 8.702 ( 1.011 0.000 -0.277) 1.049 9.268 ( 7.140 0.000 -4.100) 8.234 9.460 ( -2.391 -0.000 2.513) 3.468 9.563 ( -7.728 -0.000 -3.914) 8.663 9.789 ( -1.146 -0.000 2.134) 2.423 10.013 ( 6.331 0.000 -2.769) 6.910 10.118 ( -0.568 -0.000 2.085) 2.161 10.235 ( -3.589 -0.000 6.023) 7.011 10.538 ( 6.193 0.000 -9.112) 11.017 10.758 ( -0.534 -0.000 3.550) 3.590 10.887 ( 3.114 0.000 -0.078) 3.115 11.227 ( 12.670 0.000 -1.591) 12.769 11.372 ( 5.286 0.000 4.332) 6.835 11.510 ( -3.998 -0.000 -4.511) 6.028 11.546 ( 3.825 0.000 2.407) 4.519 11.750 ( -1.922 -0.000 -1.862) 2.676 11.803 ( -0.864 -0.000 1.606) 1.823 12.512 ( -3.754 -0.000 -0.248) 3.762 12.538 ( -1.085 -0.000 0.065) 1.087 13.094 ( 10.183 0.000 2.213) 10.421 13.216 ( 5.990 0.000 -3.226) 6.804 13.434 ( -2.732 -0.000 0.697) 2.820 13.445 ( -5.422 -0.000 0.084) 5.423 15.991 ( -8.182 -0.000 -4.114) 9.158 16.155 ( -12.508 -0.000 3.808) 13.074 17.972 ( 6.335 0.000 -0.598) 6.364 17.975 ( 8.317 0.000 0.654) 8.342 18.467 ( 7.869 0.000 1.209) 7.962 18.589 ( 2.763 0.000 -2.141) 3.496 18.828 ( -8.162 -0.000 1.053) 8.229 18.891 ( -9.942 -0.000 -0.325) 9.947 19.848 ( -3.654 -0.000 -0.375) 3.673 19.862 ( -1.894 -0.000 0.532) 1.968 20.157 ( 0.003 0.000 -2.633) 2.633 20.831 ( 6.973 0.000 9.522) 11.802 21.047 ( 7.831 0.000 0.200) 7.833 21.517 ( 9.966 0.000 -23.971) 25.960 21.852 ( -5.660 -0.000 12.282) 13.523 22.006 ( 0.310 0.000 0.751) 0.812 22.206 ( 9.441 0.000 1.080) 9.503 22.405 ( -1.217 -0.000 1.419) 1.870 22.480 ( 0.724 0.000 -1.431) 1.603 22.665 ( -4.257 -0.000 5.289) 6.790 22.709 ( -7.128 -0.000 -3.919) 8.135 22.776 ( -3.848 -0.000 -0.271) 3.858 ======================= Grid point 49 (32/102) ======================= q-point: ( 0.45 0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 7.915 2.811 1.046) 8.464 1.532 ( 6.271 5.467 2.174) 8.599 1.626 ( 15.512 -7.147 -5.125) 17.832 1.874 ( 6.176 -4.575 3.639) 8.504 2.083 ( -0.483 0.856 -3.268) 3.413 2.189 ( 3.529 0.945 -2.633) 4.503 2.269 ( -3.510 -2.866 3.675) 5.835 2.388 ( -0.684 -1.823 -0.613) 2.042 2.480 ( -2.824 -3.958 0.140) 4.864 2.653 ( -3.429 -0.978 -2.005) 4.091 2.797 ( 7.808 1.066 2.009) 8.133 2.816 ( 6.365 -0.579 1.366) 6.536 2.957 ( -1.102 -1.738 4.600) 5.040 2.993 ( 2.821 -4.159 -0.622) 5.064 3.076 ( -0.182 -0.721 -4.195) 4.261 3.187 ( 6.070 -0.632 1.527) 6.291 3.272 ( -11.747 -1.542 3.498) 12.354 3.444 ( 6.326 4.391 -5.188) 9.285 3.578 ( -1.102 0.510 2.183) 2.498 3.632 ( -2.022 2.830 -0.064) 3.478 3.650 ( 6.818 3.884 -3.977) 8.797 3.791 ( -3.105 -0.622 2.800) 4.227 3.838 ( -3.244 1.901 -0.067) 3.761 3.946 ( 10.745 -0.100 -4.879) 11.802 3.998 ( 0.732 4.204 2.247) 4.823 4.157 ( -0.854 3.649 -0.180) 3.752 4.258 ( -2.701 -2.019 4.779) 5.849 4.354 ( -5.778 1.160 -2.097) 6.255 4.456 ( 2.716 1.229 -2.992) 4.223 4.575 ( -1.996 3.420 0.065) 3.961 4.697 ( -4.231 1.764 5.720) 7.330 4.770 ( -11.888 -2.559 -2.235) 12.364 4.841 ( -7.716 2.022 -0.743) 8.011 4.993 ( -3.949 -1.493 2.888) 5.115 5.040 ( -3.576 0.905 -1.231) 3.889 5.075 ( -0.164 -8.800 -1.860) 8.996 5.183 ( -2.929 -5.204 -0.120) 5.973 5.216 ( -2.795 0.158 1.705) 3.278 5.424 ( 10.708 -4.364 -3.157) 11.986 5.758 ( -6.058 -0.688 7.654) 9.785 5.839 ( -0.599 1.043 -4.463) 4.623 5.976 ( 0.427 -3.045 -1.971) 3.652 6.163 ( -0.574 -1.911 1.848) 2.719 6.277 ( 5.585 -3.659 -2.134) 7.009 6.791 ( 4.359 1.574 -3.633) 5.889 6.869 ( 4.378 0.764 3.545) 5.685 7.017 ( 2.495 0.894 0.994) 2.831 7.038 ( 1.245 -0.151 0.641) 1.408 7.437 ( -0.489 5.572 -1.660) 5.835 7.519 ( -3.939 1.277 -0.345) 4.155 7.682 ( -5.515 0.951 -4.576) 7.229 7.841 ( 2.108 4.460 2.927) 5.737 7.941 ( 3.983 -1.693 1.397) 4.547 8.108 ( -7.633 0.102 2.165) 7.935 8.312 ( 2.991 0.145 1.542) 3.368 8.414 ( -2.561 5.802 0.201) 6.345 8.653 ( -3.454 -3.589 -2.189) 5.441 8.713 ( 0.147 0.112 0.598) 0.626 9.299 ( 2.403 5.617 -1.920) 6.404 9.363 ( -0.687 2.965 -1.456) 3.374 9.428 ( -4.753 8.353 -0.306) 9.615 9.805 ( -0.999 -1.503 1.935) 2.646 10.072 ( 7.421 -0.831 -3.548) 8.267 10.101 ( 1.631 0.801 0.564) 1.903 10.251 ( -4.898 -2.920 6.118) 8.363 10.561 ( 5.174 0.207 -5.966) 7.900 10.741 ( -1.158 1.727 2.980) 3.634 10.889 ( 1.740 2.331 -0.120) 2.911 11.316 ( 11.016 -1.053 0.054) 11.067 11.462 ( -2.011 1.310 -1.410) 2.783 11.479 ( 3.088 -5.338 0.765) 6.214 11.559 ( 1.332 0.668 0.692) 1.643 11.734 ( 0.135 0.733 -0.664) 0.998 11.802 ( -2.196 -0.642 0.435) 2.329 12.505 ( -2.457 -2.194 -0.362) 3.314 12.558 ( -1.082 -2.992 0.167) 3.186 13.022 ( 8.042 13.669 0.047) 15.859 13.184 ( 7.155 11.972 0.132) 13.948 13.318 ( -5.401 3.273 -0.477) 6.333 13.421 ( -4.337 2.462 0.403) 5.003 15.935 ( -5.705 -0.623 -1.595) 5.957 16.092 ( -8.670 -0.863 1.477) 8.837 17.946 ( 7.104 5.406 -0.075) 8.927 18.032 ( 2.017 0.548 0.068) 2.091 18.428 ( 12.509 3.991 0.312) 13.134 18.750 ( -1.674 -3.206 -1.314) 3.847 18.804 ( -11.698 -1.220 -0.100) 11.762 18.864 ( -3.842 -11.312 1.298) 12.017 19.660 ( -2.893 12.770 -0.897) 13.124 19.829 ( -0.546 6.187 3.346) 7.055 20.064 ( -0.097 9.016 -4.681) 10.160 20.788 ( 4.570 11.614 4.992) 13.442 21.151 ( 5.309 -5.254 0.380) 7.479 21.489 ( 8.556 3.385 -9.976) 13.571 21.846 ( -0.967 -2.066 5.667) 6.109 22.014 ( 1.080 -0.713 0.008) 1.294 22.286 ( -1.382 6.682 1.501) 6.986 22.425 ( 4.024 -6.556 -4.688) 9.008 22.515 ( -2.932 -5.309 2.404) 6.524 22.669 ( -1.635 -3.878 2.417) 4.853 22.746 ( -5.744 -8.399 -1.187) 10.244 22.807 ( -2.563 -5.535 -0.128) 6.101 ======================= Grid point 50 (33/102) ======================= q-point: ( 0.55 0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 0.612 -1.327 1.919) 2.411 1.497 ( 2.564 1.054 1.514) 3.158 1.874 ( 11.043 -8.989 -5.276) 15.185 1.953 ( 2.707 0.364 4.885) 5.597 2.027 ( 3.547 4.052 -7.969) 9.618 2.215 ( 2.252 -0.617 -0.517) 2.392 2.287 ( -9.630 -3.815 4.280) 11.208 2.437 ( 1.623 -2.150 1.515) 3.090 2.551 ( 2.218 -3.679 -1.314) 4.492 2.654 ( -9.053 -2.558 1.345) 9.503 2.722 ( 2.711 4.129 1.551) 5.177 2.961 ( 2.697 -2.134 0.689) 3.508 2.969 ( 1.962 -1.526 1.226) 2.771 3.038 ( 2.123 -2.806 -0.955) 3.646 3.138 ( -1.099 -3.783 -2.157) 4.491 3.213 ( -2.907 -0.567 1.084) 3.154 3.306 ( 1.134 -7.103 -0.712) 7.228 3.430 ( 7.284 1.497 -2.221) 7.761 3.510 ( -3.430 4.318 1.918) 5.839 3.591 ( -1.287 1.928 -2.193) 3.191 3.621 ( 2.458 1.354 0.067) 2.807 3.749 ( -1.112 5.481 3.063) 6.377 3.769 ( -1.411 2.502 0.114) 2.875 3.852 ( -0.855 4.743 -2.697) 5.523 4.082 ( 1.135 7.279 0.109) 7.368 4.097 ( 8.518 -2.383 2.313) 9.143 4.243 ( -8.916 1.688 -1.543) 9.205 4.281 ( -0.151 1.363 0.782) 1.578 4.433 ( 7.223 3.233 -5.328) 9.540 4.528 ( -4.348 0.761 1.155) 4.563 4.610 ( -5.585 3.293 6.926) 9.487 4.751 ( -7.829 -4.610 -0.206) 9.088 4.848 ( -1.092 -6.210 -2.542) 6.798 5.000 ( -1.694 -0.060 -0.186) 1.706 5.021 ( 0.738 -1.501 -0.290) 1.698 5.172 ( -1.498 -1.871 -0.343) 2.421 5.258 ( 2.255 -7.286 -1.158) 7.715 5.304 ( -4.520 -8.989 1.770) 10.216 5.583 ( 8.782 -5.348 -1.619) 10.409 5.751 ( -0.249 0.445 5.974) 5.996 5.814 ( -4.793 -1.195 -4.017) 6.367 5.996 ( -1.964 -1.328 -0.461) 2.415 6.241 ( 2.064 -3.834 -0.120) 4.356 6.365 ( 2.152 -3.590 -0.271) 4.194 6.763 ( 1.035 2.916 -1.397) 3.395 6.892 ( 4.091 0.960 2.223) 4.754 6.992 ( 1.794 4.678 -1.280) 5.171 7.053 ( -0.879 -2.020 1.445) 2.635 7.289 ( -1.575 10.070 -1.098) 10.251 7.417 ( -2.953 7.192 0.323) 7.782 7.624 ( -1.638 1.762 -1.690) 2.940 7.778 ( 2.399 4.969 1.952) 5.853 7.948 ( -2.089 4.947 0.096) 5.371 8.080 ( -1.502 -3.226 -1.066) 3.714 8.260 ( -0.677 2.774 0.858) 2.982 8.421 ( 0.861 -3.509 1.203) 3.808 8.679 ( -2.501 -0.319 -0.418) 2.555 8.726 ( 1.802 -2.883 -0.263) 3.409 9.072 ( -0.794 14.556 -0.478) 14.585 9.197 ( -1.799 13.254 0.213) 13.377 9.434 ( 2.205 -4.604 -1.653) 5.366 9.819 ( -0.828 -0.149 0.978) 1.290 10.076 ( 0.320 0.752 0.418) 0.918 10.177 ( 8.581 -2.441 -4.197) 9.859 10.278 ( -6.522 -3.643 5.520) 9.288 10.586 ( 3.838 -0.536 -3.567) 5.267 10.700 ( -2.234 1.874 2.247) 3.681 10.832 ( 0.479 4.528 -0.096) 4.554 11.374 ( 1.298 3.367 -0.968) 3.736 11.444 ( 6.117 -0.335 2.422) 6.587 11.531 ( -1.611 0.560 -3.426) 3.827 11.589 ( 1.955 -1.903 1.363) 3.049 11.722 ( 1.757 1.425 0.888) 2.430 11.798 ( -3.210 -1.348 -0.484) 3.515 12.551 ( -1.050 -4.271 -0.345) 4.412 12.622 ( -0.516 -4.357 0.180) 4.391 12.779 ( 5.182 18.090 -0.060) 18.818 12.917 ( 2.819 19.535 0.380) 19.741 13.231 ( -3.080 4.178 -0.368) 5.204 13.337 ( -2.138 3.675 0.274) 4.261 15.928 ( -2.598 -2.182 -0.347) 3.410 16.059 ( -3.867 -0.323 0.257) 3.889 17.916 ( 6.680 3.342 -0.118) 7.470 17.998 ( -3.749 1.924 0.124) 4.216 18.461 ( 8.722 3.663 0.414) 9.469 18.715 ( -3.821 1.075 -1.217) 4.152 18.796 ( -1.314 -1.710 0.497) 2.213 19.065 ( -5.346 -13.174 0.388) 14.223 19.434 ( -1.473 8.748 -0.334) 8.877 19.686 ( 0.597 9.954 4.709) 11.028 19.850 ( -0.259 12.863 -5.580) 14.023 20.540 ( 2.447 19.127 1.388) 19.333 21.286 ( 3.827 -5.890 0.405) 7.035 21.496 ( 3.614 0.617 -1.863) 4.112 21.910 ( 0.221 -4.012 0.583) 4.061 22.041 ( 0.674 -0.985 1.349) 1.801 22.144 ( -2.129 6.615 -0.512) 6.968 22.413 ( -0.071 4.314 -0.108) 4.316 22.697 ( 2.413 -11.454 -2.460) 11.962 22.776 ( -4.306 -7.905 2.353) 9.304 22.864 ( -1.322 -7.880 0.117) 7.991 22.920 ( -1.768 -8.735 -0.254) 8.916 ======================= Grid point 51 (34/102) ======================= q-point: ( 0.64 0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.000 -7.023 0.000) 7.023 1.545 ( -0.000 -4.980 0.000) 4.980 1.913 ( 0.000 4.110 -0.000) 4.110 1.977 ( 0.000 2.764 -0.000) 2.764 2.022 ( -0.000 -2.036 0.000) 2.036 2.274 ( -0.000 -3.213 0.000) 3.213 2.323 ( -0.000 -7.125 0.000) 7.125 2.438 ( 0.000 2.236 -0.000) 2.236 2.550 ( 0.000 4.665 -0.000) 4.665 2.627 ( -0.000 -0.728 0.000) 0.728 2.779 ( -0.000 -5.391 0.000) 5.391 2.936 ( 0.000 1.292 -0.000) 1.292 3.088 ( -0.000 -6.847 0.000) 6.847 3.094 ( -0.000 -2.053 0.000) 2.053 3.149 ( 0.000 1.024 -0.000) 1.024 3.208 ( 0.000 1.884 -0.000) 1.884 3.398 ( -0.000 -1.580 0.000) 1.580 3.406 ( 0.000 4.348 -0.000) 4.348 3.519 ( -0.000 -6.851 0.000) 6.851 3.560 ( 0.000 0.577 -0.000) 0.577 3.594 ( 0.000 1.478 -0.000) 1.478 3.693 ( 0.000 2.708 -0.000) 2.708 3.732 ( 0.000 2.003 -0.000) 2.003 3.786 ( 0.000 0.699 -0.000) 0.699 3.933 ( 0.000 5.497 -0.000) 5.497 4.144 ( 0.000 3.881 -0.000) 3.881 4.187 ( 0.000 1.640 -0.000) 1.640 4.246 ( -0.000 -1.847 0.000) 1.847 4.395 ( 0.000 3.083 -0.000) 3.083 4.488 ( 0.000 0.429 -0.000) 0.429 4.607 ( -0.000 -2.325 0.000) 2.325 4.820 ( -0.000 -5.661 0.000) 5.661 4.985 ( -0.000 -8.857 0.000) 8.857 5.022 ( -0.000 -3.295 0.000) 3.295 5.041 ( -0.000 -0.909 0.000) 0.909 5.209 ( -0.000 -1.796 0.000) 1.796 5.352 ( -0.000 -4.385 0.000) 4.385 5.453 ( -0.000 -7.344 0.000) 7.344 5.684 ( -0.000 -1.250 0.000) 1.250 5.773 ( -0.000 -1.188 0.000) 1.188 5.797 ( -0.000 -0.967 0.000) 0.967 6.026 ( -0.000 -3.501 0.000) 3.501 6.260 ( 0.000 2.327 -0.000) 2.327 6.455 ( -0.000 -5.117 0.000) 5.117 6.717 ( 0.000 1.941 -0.000) 1.941 6.856 ( 0.000 11.563 -0.000) 11.563 6.896 ( 0.000 1.081 -0.000) 1.081 7.070 ( 0.000 10.828 -0.000) 10.828 7.108 ( -0.000 -2.229 0.000) 2.229 7.240 ( 0.000 11.305 -0.000) 11.305 7.590 ( 0.000 1.151 -0.000) 1.151 7.704 ( 0.000 4.803 -0.000) 4.803 7.821 ( 0.000 6.316 -0.000) 6.316 8.124 ( -0.000 -0.993 0.000) 0.993 8.262 ( -0.000 -2.574 0.000) 2.574 8.461 ( 0.000 1.454 -0.000) 1.454 8.663 ( 0.000 0.229 -0.000) 0.229 8.812 ( -0.000 -5.189 0.000) 5.189 8.839 ( 0.000 9.744 -0.000) 9.744 8.970 ( 0.000 10.277 -0.000) 10.277 9.520 ( -0.000 -3.822 0.000) 3.822 9.796 ( 0.000 2.543 -0.000) 2.543 10.070 ( 0.000 0.106 -0.000) 0.106 10.243 ( -0.000 -1.431 0.000) 1.431 10.338 ( -0.000 -6.038 0.000) 6.038 10.614 ( -0.000 -0.513 0.000) 0.513 10.666 ( 0.000 0.877 -0.000) 0.877 10.755 ( 0.000 3.467 -0.000) 3.467 11.267 ( 0.000 8.068 -0.000) 8.068 11.451 ( 0.000 4.968 -0.000) 4.968 11.492 ( 0.000 2.487 -0.000) 2.487 11.609 ( -0.000 -0.057 0.000) 0.057 11.710 ( 0.000 0.818 -0.000) 0.818 11.790 ( 0.000 1.649 -0.000) 1.649 12.495 ( 0.000 13.627 -0.000) 13.627 12.543 ( 0.000 15.857 -0.000) 15.857 12.643 ( -0.000 -5.151 0.000) 5.151 12.761 ( -0.000 -4.455 0.000) 4.455 13.133 ( 0.000 5.340 -0.000) 5.340 13.262 ( 0.000 4.003 -0.000) 4.003 15.963 ( -0.000 -2.426 0.000) 2.426 16.047 ( 0.000 0.159 -0.000) 0.159 17.919 ( 0.000 0.633 -0.000) 0.633 17.946 ( 0.000 0.238 -0.000) 0.238 18.423 ( 0.000 3.046 -0.000) 3.046 18.647 ( 0.000 5.528 -0.000) 5.528 18.805 ( 0.000 0.633 -0.000) 0.633 19.266 ( -0.000 -11.913 0.000) 11.913 19.364 ( -0.000 -0.517 0.000) 0.517 19.524 ( 0.000 8.985 -0.000) 8.985 19.620 ( 0.000 11.440 -0.000) 11.440 20.188 ( 0.000 21.024 -0.000) 21.024 21.407 ( -0.000 -5.535 0.000) 5.535 21.493 ( 0.000 0.653 -0.000) 0.653 21.979 ( -0.000 -3.293 0.000) 3.293 22.030 ( 0.000 5.291 -0.000) 5.291 22.054 ( 0.000 0.109 -0.000) 0.109 22.339 ( 0.000 3.574 -0.000) 3.574 22.849 ( -0.000 -4.915 0.000) 4.915 22.918 ( -0.000 -8.722 0.000) 8.722 22.986 ( -0.000 -6.796 0.000) 6.796 23.076 ( -0.000 -9.311 0.000) 9.311 ======================= Grid point 61 (35/102) ======================= q-point: ( 0.45 0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 7.534 0.000 -1.689) 7.721 1.590 ( 6.746 0.000 -5.032) 8.416 1.664 ( 3.251 0.000 4.114) 5.243 1.846 ( 1.909 0.000 4.222) 4.634 2.063 ( -1.897 -0.000 -0.114) 1.900 2.181 ( -3.595 -0.000 1.148) 3.773 2.255 ( 3.178 0.000 -3.463) 4.700 2.413 ( -4.073 -0.000 1.977) 4.527 2.417 ( 9.238 0.000 -2.397) 9.544 2.582 ( -9.676 -0.000 -0.598) 9.695 2.835 ( -4.030 -0.000 4.962) 6.392 2.895 ( 13.627 0.000 -1.618) 13.722 2.954 ( 3.617 0.000 -1.155) 3.797 2.981 ( 3.743 0.000 0.814) 3.831 3.054 ( 0.713 0.000 -5.337) 5.384 3.182 ( -13.233 -0.000 6.375) 14.689 3.221 ( 3.098 0.000 1.190) 3.319 3.535 ( 5.945 0.000 -5.029) 7.787 3.574 ( 0.462 0.000 -0.168) 0.492 3.626 ( -5.845 -0.000 2.773) 6.469 3.692 ( 0.041 0.000 -2.664) 2.665 3.768 ( -7.535 -0.000 0.083) 7.535 3.901 ( 16.954 0.000 1.782) 17.047 3.994 ( 9.688 0.000 -3.695) 10.369 4.075 ( -2.029 -0.000 0.092) 2.031 4.147 ( -7.717 -0.000 4.086) 8.732 4.251 ( 3.031 0.000 1.748) 3.499 4.295 ( -8.388 -0.000 -1.642) 8.547 4.491 ( 5.119 0.000 -1.600) 5.363 4.610 ( -11.310 -0.000 -0.012) 11.310 4.614 ( -0.854 -0.000 -0.311) 0.909 4.770 ( 3.153 0.000 -2.117) 3.798 4.841 ( -8.339 -0.000 3.396) 9.004 4.912 ( -2.167 -0.000 -0.668) 2.267 4.950 ( -3.066 -0.000 2.061) 3.694 5.039 ( -2.524 -0.000 -1.050) 2.734 5.088 ( -1.053 -0.000 0.685) 1.256 5.256 ( -0.036 -0.000 0.322) 0.324 5.432 ( 7.287 0.000 -3.375) 8.031 5.700 ( -6.148 -0.000 4.962) 7.900 5.854 ( -0.812 -0.000 -2.193) 2.338 5.961 ( 3.661 0.000 -1.615) 4.001 6.130 ( -3.321 -0.000 2.137) 3.949 6.275 ( 4.504 0.000 -1.775) 4.841 6.831 ( 3.172 0.000 -2.401) 3.978 6.907 ( 2.617 0.000 2.127) 3.372 7.020 ( -0.589 -0.000 1.251) 1.383 7.066 ( 2.339 0.000 -0.219) 2.349 7.476 ( -3.553 -0.000 0.810) 3.645 7.506 ( 0.099 0.000 -1.579) 1.582 7.645 ( -3.063 -0.000 -2.900) 4.218 7.896 ( 0.692 0.000 0.679) 0.969 7.953 ( 2.829 0.000 1.431) 3.170 8.074 ( -4.090 -0.000 2.194) 4.641 8.332 ( 2.845 0.000 1.545) 3.238 8.502 ( -0.097 -0.000 -1.363) 1.366 8.550 ( -5.178 -0.000 -0.753) 5.233 8.717 ( 0.762 0.000 -0.153) 0.777 9.323 ( 2.366 0.000 -2.046) 3.128 9.414 ( -2.943 -0.000 0.893) 3.076 9.474 ( -2.835 -0.000 -0.846) 2.959 9.792 ( 0.204 0.000 1.504) 1.518 10.112 ( 7.255 0.000 -4.468) 8.520 10.117 ( -0.250 -0.000 0.645) 0.692 10.198 ( -4.683 -0.000 5.138) 6.952 10.585 ( 3.121 0.000 -3.345) 4.575 10.757 ( -0.812 -0.000 1.829) 2.001 10.921 ( 1.335 0.000 0.081) 1.337 11.399 ( 10.242 0.000 -0.264) 10.245 11.437 ( 0.735 0.000 -2.280) 2.396 11.456 ( -0.155 -0.000 1.865) 1.872 11.543 ( -4.809 -0.000 0.831) 4.880 11.741 ( 0.802 0.000 -0.720) 1.077 11.796 ( -0.532 -0.000 0.437) 0.689 12.466 ( -1.854 -0.000 -0.151) 1.860 12.525 ( -0.524 -0.000 0.022) 0.525 13.197 ( 3.088 0.000 0.744) 3.176 13.286 ( 4.910 0.000 -1.837) 5.242 13.369 ( -4.941 -0.000 0.651) 4.983 13.413 ( -0.632 -0.000 0.465) 0.785 15.893 ( -3.270 -0.000 -1.042) 3.432 16.033 ( -4.840 -0.000 1.024) 4.947 18.040 ( 2.681 0.000 -0.101) 2.683 18.062 ( 3.073 0.000 0.088) 3.074 18.577 ( 5.955 0.000 0.867) 6.018 18.611 ( 1.005 0.000 -0.893) 1.344 18.747 ( -3.036 -0.000 0.480) 3.074 18.761 ( -6.831 -0.000 -0.395) 6.842 19.806 ( -1.531 -0.000 -0.227) 1.548 19.848 ( -0.496 -0.000 0.793) 0.935 20.141 ( -0.421 -0.000 -1.558) 1.614 20.934 ( 2.650 0.000 4.206) 4.971 21.120 ( 2.376 0.000 -0.031) 2.376 21.545 ( 3.639 0.000 -9.738) 10.396 21.830 ( -2.255 -0.000 5.247) 5.711 22.010 ( 0.119 0.000 -0.002) 0.119 22.332 ( 5.415 0.000 -0.876) 5.485 22.420 ( 3.658 0.000 3.852) 5.312 22.484 ( 0.274 0.000 -0.575) 0.637 22.552 ( -9.185 -0.000 -1.710) 9.343 22.666 ( -0.561 -0.000 0.301) 0.637 22.734 ( -1.539 -0.000 -0.083) 1.541 ======================= Grid point 62 (36/102) ======================= q-point: ( 0.55 0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 5.502 -0.000) 5.502 1.583 ( 0.000 6.769 -0.000) 6.769 1.736 ( -0.000 -9.795 0.000) 9.795 1.953 ( -0.000 -6.623 0.000) 6.623 2.035 ( 0.000 1.933 -0.000) 1.933 2.206 ( -0.000 -3.101 0.000) 3.101 2.244 ( 0.000 2.050 -0.000) 2.050 2.406 ( -0.000 -1.548 0.000) 1.548 2.506 ( -0.000 -3.355 0.000) 3.355 2.548 ( -0.000 -2.680 0.000) 2.680 2.802 ( 0.000 2.790 -0.000) 2.790 2.946 ( -0.000 -0.135 0.000) 0.135 2.982 ( -0.000 -0.795 0.000) 0.795 3.007 ( -0.000 -1.639 0.000) 1.639 3.104 ( 0.000 1.025 -0.000) 1.025 3.116 ( -0.000 -5.387 0.000) 5.387 3.241 ( -0.000 -1.289 0.000) 1.289 3.520 ( 0.000 3.319 -0.000) 3.319 3.539 ( 0.000 2.631 -0.000) 2.631 3.614 ( -0.000 -0.509 0.000) 0.509 3.655 ( 0.000 3.642 -0.000) 3.642 3.764 ( -0.000 -1.565 0.000) 1.565 3.901 ( 0.000 7.527 -0.000) 7.527 3.952 ( 0.000 7.186 -0.000) 7.186 4.079 ( -0.000 -3.152 0.000) 3.152 4.166 ( -0.000 -1.081 0.000) 1.081 4.235 ( 0.000 3.657 -0.000) 3.657 4.285 ( -0.000 -3.040 0.000) 3.040 4.477 ( 0.000 3.174 -0.000) 3.174 4.549 ( 0.000 0.880 -0.000) 0.880 4.651 ( -0.000 -3.270 0.000) 3.270 4.706 ( 0.000 7.788 -0.000) 7.788 4.762 ( -0.000 -0.962 0.000) 0.962 4.969 ( -0.000 -3.362 0.000) 3.362 5.006 ( 0.000 0.557 -0.000) 0.557 5.070 ( -0.000 -11.502 0.000) 11.502 5.163 ( -0.000 -6.091 0.000) 6.091 5.199 ( 0.000 3.860 -0.000) 3.860 5.518 ( -0.000 -5.365 0.000) 5.365 5.705 ( -0.000 -2.585 0.000) 2.585 5.827 ( 0.000 2.214 -0.000) 2.214 5.977 ( -0.000 -0.353 0.000) 0.353 6.159 ( -0.000 -4.429 0.000) 4.429 6.322 ( -0.000 -2.868 0.000) 2.868 6.817 ( 0.000 2.445 -0.000) 2.445 6.919 ( 0.000 0.182 -0.000) 0.182 7.024 ( -0.000 -0.686 0.000) 0.686 7.058 ( 0.000 1.907 -0.000) 1.907 7.418 ( 0.000 5.076 -0.000) 5.076 7.488 ( 0.000 2.339 -0.000) 2.339 7.630 ( 0.000 0.210 -0.000) 0.210 7.865 ( 0.000 3.420 -0.000) 3.420 8.001 ( -0.000 -3.518 0.000) 3.518 8.027 ( 0.000 3.595 -0.000) 3.595 8.367 ( 0.000 8.436 -0.000) 8.436 8.369 ( -0.000 -2.488 0.000) 2.488 8.617 ( -0.000 -4.470 0.000) 4.470 8.721 ( 0.000 0.084 -0.000) 0.084 9.299 ( 0.000 10.679 -0.000) 10.679 9.363 ( -0.000 -3.535 0.000) 3.535 9.390 ( 0.000 8.389 -0.000) 8.389 9.804 ( -0.000 -0.930 0.000) 0.930 10.095 ( 0.000 1.254 -0.000) 1.254 10.181 ( -0.000 -3.308 0.000) 3.308 10.191 ( -0.000 -1.173 0.000) 1.173 10.592 ( 0.000 0.042 -0.000) 0.042 10.734 ( 0.000 2.188 -0.000) 2.188 10.903 ( 0.000 2.734 -0.000) 2.734 11.417 ( 0.000 1.202 -0.000) 1.202 11.463 ( -0.000 -1.227 0.000) 1.227 11.476 ( -0.000 -1.909 0.000) 1.909 11.559 ( -0.000 -3.283 0.000) 3.283 11.753 ( -0.000 -1.181 0.000) 1.181 11.773 ( 0.000 2.167 -0.000) 2.167 12.483 ( -0.000 -2.634 0.000) 2.634 12.550 ( -0.000 -2.981 0.000) 2.981 13.090 ( 0.000 12.962 -0.000) 12.962 13.233 ( 0.000 13.104 -0.000) 13.104 13.281 ( 0.000 2.656 -0.000) 2.656 13.381 ( 0.000 2.389 -0.000) 2.389 15.888 ( -0.000 -1.046 0.000) 1.046 16.029 ( -0.000 -1.153 0.000) 1.153 18.015 ( 0.000 3.456 -0.000) 3.456 18.032 ( 0.000 3.752 -0.000) 3.752 18.587 ( 0.000 4.461 -0.000) 4.461 18.646 ( -0.000 -3.852 0.000) 3.852 18.732 ( -0.000 -4.072 0.000) 4.072 18.848 ( -0.000 -8.812 0.000) 8.812 19.636 ( 0.000 12.997 -0.000) 12.997 19.834 ( 0.000 5.027 -0.000) 5.027 20.050 ( 0.000 9.367 -0.000) 9.367 20.833 ( 0.000 12.098 -0.000) 12.098 21.189 ( -0.000 -5.644 0.000) 5.644 21.533 ( 0.000 1.457 -0.000) 1.457 21.850 ( -0.000 -2.591 0.000) 2.591 22.022 ( -0.000 -1.202 0.000) 1.202 22.279 ( 0.000 9.601 -0.000) 9.601 22.466 ( -0.000 -11.748 0.000) 11.748 22.482 ( 0.000 2.559 -0.000) 2.559 22.678 ( -0.000 -3.297 0.000) 3.297 22.682 ( -0.000 -11.370 0.000) 11.370 22.788 ( -0.000 -5.485 0.000) 5.485 ======================= Grid point 125 (37/102) ======================= 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( -1.931 -0.000 20.841) 20.930 0.498 ( 13.206 0.000 22.687) 26.250 0.728 ( -15.833 -0.000 30.254) 34.147 0.877 ( 1.075 0.000 -13.708) 13.750 0.960 ( -11.622 -0.000 -19.531) 22.727 1.383 ( 15.164 0.000 -25.210) 29.419 1.931 ( 7.763 0.000 13.004) 15.145 2.190 ( -12.914 -0.000 -10.348) 16.549 2.198 ( -1.216 -0.000 6.299) 6.416 2.328 ( 0.297 0.000 -4.452) 4.462 2.702 ( -1.197 -0.000 7.190) 7.289 2.778 ( -1.258 -0.000 0.680) 1.430 2.953 ( -1.276 -0.000 5.855) 5.992 3.041 ( -3.511 -0.000 -0.253) 3.520 3.241 ( 0.317 0.000 -0.590) 0.670 3.341 ( -20.220 -0.000 3.235) 20.477 3.343 ( 5.456 0.000 -6.922) 8.814 3.414 ( 2.215 0.000 -2.430) 3.288 3.463 ( 1.359 0.000 1.108) 1.754 3.533 ( -1.508 -0.000 -5.701) 5.897 3.670 ( -10.891 -0.000 7.564) 13.260 3.814 ( 8.080 0.000 -4.483) 9.240 3.927 ( -5.239 -0.000 0.545) 5.267 3.932 ( 2.770 0.000 0.467) 2.809 4.124 ( 1.841 0.000 2.741) 3.302 4.244 ( 1.792 0.000 -7.878) 8.079 4.604 ( -6.183 -0.000 6.246) 8.789 4.641 ( 1.003 0.000 2.328) 2.534 4.754 ( -6.421 -0.000 3.466) 7.297 4.764 ( -2.356 -0.000 -2.649) 3.545 4.789 ( 2.462 0.000 -3.678) 4.426 4.823 ( 5.323 0.000 -1.408) 5.506 5.154 ( -3.778 -0.000 4.081) 5.561 5.169 ( -2.782 -0.000 2.069) 3.467 5.221 ( -36.074 -0.000 6.275) 36.616 5.348 ( -0.709 -0.000 -2.888) 2.973 5.374 ( 15.722 0.000 -6.646) 17.069 5.380 ( 12.748 0.000 -4.516) 13.524 5.585 ( 0.060 0.000 3.550) 3.550 5.646 ( -1.097 -0.000 -1.983) 2.266 5.891 ( 2.708 0.000 1.192) 2.959 5.920 ( -1.323 -0.000 -1.249) 1.819 6.214 ( -2.727 -0.000 2.237) 3.527 6.264 ( 5.447 0.000 -1.971) 5.793 6.473 ( 0.135 0.000 4.611) 4.613 6.516 ( -2.643 -0.000 2.254) 3.474 6.594 ( 5.169 0.000 -2.837) 5.896 6.630 ( -3.059 -0.000 -4.974) 5.839 6.988 ( 2.134 0.000 6.510) 6.851 7.118 ( -7.825 -0.000 -5.073) 9.326 7.474 ( -6.517 -0.000 6.666) 9.322 7.638 ( 5.720 0.000 -7.578) 9.495 8.305 ( -0.261 -0.000 4.508) 4.515 8.370 ( -12.347 -0.000 7.578) 14.486 8.428 ( 12.137 0.000 -6.598) 13.814 8.550 ( 10.094 0.000 -8.031) 12.899 8.790 ( 4.234 0.000 6.609) 7.849 8.925 ( -3.364 -0.000 -5.304) 6.281 9.024 ( -4.721 -0.000 6.945) 8.398 9.178 ( 9.494 0.000 -7.193) 11.911 9.546 ( -3.531 -0.000 7.888) 8.642 9.689 ( -15.772 -0.000 -4.914) 16.520 10.488 ( 8.734 0.000 -0.034) 8.734 10.489 ( -17.886 -0.000 -0.126) 17.886 10.623 ( -3.440 -0.000 0.126) 3.442 10.625 ( 0.466 0.000 0.018) 0.466 10.654 ( 2.516 0.000 1.185) 2.782 10.679 ( -1.132 -0.000 -0.924) 1.462 11.039 ( -47.335 -0.000 -0.127) 47.335 11.042 ( 14.536 0.000 -0.326) 14.540 11.174 ( -5.603 -0.000 2.666) 6.205 11.233 ( 3.295 0.000 -2.421) 4.089 11.975 ( -1.914 -0.000 1.178) 2.248 12.009 ( 3.213 0.000 -1.778) 3.672 12.152 ( -11.633 -0.000 1.680) 11.754 12.183 ( 27.933 0.000 -0.990) 27.951 12.692 ( -1.225 -0.000 0.522) 1.332 12.705 ( 1.176 0.000 -0.513) 1.283 13.626 ( -0.762 -0.000 0.192) 0.786 13.630 ( 0.248 0.000 -0.203) 0.320 16.504 ( 21.374 0.000 0.275) 21.376 16.511 ( -66.512 -0.000 -0.284) 66.513 17.658 ( -0.305 -0.000 0.725) 0.787 17.676 ( 0.379 0.000 -0.760) 0.850 17.969 ( 20.430 0.000 0.781) 20.445 17.987 ( -5.845 -0.000 -0.739) 5.891 19.628 ( -13.129 -0.000 0.061) 13.129 19.629 ( 28.853 0.000 -0.008) 28.853 19.680 ( 7.734 0.000 2.526) 8.136 19.742 ( -7.154 -0.000 -2.766) 7.670 20.170 ( -18.827 -0.000 0.203) 18.828 20.176 ( 5.006 0.000 -0.324) 5.016 20.306 ( -2.916 -0.000 0.690) 2.997 20.319 ( 2.613 0.000 -0.374) 2.640 21.928 ( -0.076 -0.000 -0.025) 0.081 21.929 ( 0.014 0.000 -0.095) 0.096 22.378 ( 1.010 0.000 1.966) 2.210 22.424 ( 0.292 0.000 -1.937) 1.959 22.900 ( 2.728 0.000 1.405) 3.069 22.936 ( -4.164 -0.000 -1.663) 4.484 23.038 ( -6.895 -0.000 0.929) 6.957 23.055 ( 1.432 0.000 -0.558) 1.537 ======================= Grid point 126 (38/102) ======================= q-point: ( 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 4.218 -3.343 16.041) 16.920 0.849 ( 17.117 -8.401 5.928) 19.967 0.873 ( 7.465 -8.323 -4.596) 12.089 1.009 ( -2.028 -21.580 3.562) 21.965 1.037 ( 4.319 -16.338 -4.187) 17.410 1.494 ( 14.257 -6.053 -14.294) 21.076 1.965 ( -7.115 2.340 1.195) 7.585 2.038 ( 6.277 -0.796 7.714) 9.977 2.297 ( -1.377 -7.659 2.565) 8.194 2.420 ( 6.217 -7.777 -4.013) 10.735 2.661 ( -0.687 6.146 5.405) 8.214 2.776 ( 3.813 1.259 -1.371) 4.243 2.873 ( -3.701 2.806 4.421) 6.412 2.934 ( 0.904 6.021 -3.510) 7.028 3.198 ( -6.910 0.894 2.767) 7.496 3.242 ( -2.748 -2.436 5.265) 6.419 3.392 ( 1.672 2.579 -1.260) 3.322 3.413 ( 4.951 -1.175 -4.604) 6.863 3.530 ( -4.171 -7.065 0.729) 8.236 3.650 ( -5.715 -2.921 0.606) 6.447 3.666 ( 3.004 -4.449 -0.612) 5.403 3.842 ( 3.218 2.526 -3.282) 5.244 3.909 ( -5.869 -2.492 1.118) 6.473 3.960 ( -3.367 -2.121 -0.190) 3.984 4.135 ( 4.200 1.441 1.743) 4.770 4.246 ( 10.018 3.973 -7.925) 13.377 4.576 ( -6.198 0.124 9.733) 11.540 4.596 ( -7.731 3.593 3.755) 9.315 4.623 ( -0.738 7.420 0.838) 7.504 4.715 ( 2.024 2.841 -3.353) 4.839 4.800 ( 3.241 4.369 -0.216) 5.444 4.850 ( 2.951 -2.941 -7.621) 8.685 5.020 ( -8.028 4.598 5.104) 10.566 5.171 ( -5.336 -2.430 1.581) 6.073 5.212 ( -4.601 -5.839 2.919) 7.986 5.357 ( -1.887 -3.254 -0.016) 3.762 5.484 ( 4.160 -1.933 -0.950) 4.685 5.500 ( 8.208 -0.550 -6.624) 10.561 5.584 ( -2.074 -2.048 0.654) 2.987 5.601 ( -6.203 0.415 -1.894) 6.499 5.893 ( -0.862 0.159 0.620) 1.074 5.954 ( 0.918 -2.877 -0.883) 3.146 6.137 ( 3.587 6.192 3.525) 7.977 6.268 ( 11.022 2.524 -2.947) 11.685 6.429 ( -8.115 2.439 1.053) 8.539 6.553 ( -0.857 0.242 5.201) 5.277 6.631 ( 7.519 -3.984 -0.424) 8.520 6.752 ( 8.364 -6.695 -10.234) 14.816 7.048 ( 2.528 -1.640 4.588) 5.489 7.112 ( 13.196 2.875 -4.419) 14.210 7.470 ( -2.106 -2.045 5.788) 6.489 7.674 ( 5.508 -0.867 -7.000) 8.950 8.196 ( -3.655 7.843 1.808) 8.840 8.264 ( -0.486 6.313 2.357) 6.757 8.436 ( 0.151 5.970 1.040) 6.061 8.628 ( 6.570 1.493 -7.314) 9.944 8.803 ( -5.745 -0.682 2.580) 6.334 8.875 ( 2.211 -0.266 -0.763) 2.354 9.032 ( -0.261 -0.736 5.277) 5.334 9.236 ( 7.000 -0.820 -5.864) 9.168 9.381 ( -15.231 8.622 18.081) 25.164 9.491 ( -3.450 4.530 6.919) 8.961 10.101 ( -6.269 8.820 5.989) 12.368 10.406 ( 4.003 13.398 -5.787) 15.133 10.550 ( -2.924 1.356 -1.342) 3.492 10.593 ( -2.392 0.965 1.409) 2.939 10.712 ( -6.728 -2.949 -1.850) 7.575 10.777 ( 3.684 -4.608 2.950) 6.596 10.977 ( -9.136 -5.742 3.165) 11.245 11.154 ( 4.446 1.047 -0.139) 4.570 11.217 ( -1.147 -5.524 -1.116) 5.751 11.346 ( 17.730 -1.498 2.451) 17.961 11.966 ( -5.638 1.897 -0.093) 5.950 11.989 ( -2.174 0.117 -0.915) 2.361 12.090 ( 3.965 1.250 -1.276) 4.349 12.218 ( 18.569 11.781 -1.946) 22.077 12.690 ( -1.052 0.112 0.854) 1.359 12.716 ( 0.515 -0.454 -0.426) 0.808 13.600 ( -1.335 2.043 0.970) 2.627 13.650 ( -0.820 0.080 -3.232) 3.336 16.110 ( -15.635 4.066 10.913) 19.495 16.529 ( 16.668 12.679 1.851) 21.024 17.723 ( -1.917 -6.560 1.011) 6.909 17.734 ( 0.069 -6.763 1.561) 6.942 17.927 ( -15.368 -2.324 -2.278) 15.709 18.328 ( 25.623 -9.477 -7.416) 28.308 19.392 ( -11.017 6.623 0.149) 12.856 19.558 ( 14.708 13.204 2.148) 19.882 19.670 ( -5.775 4.212 -0.231) 7.152 19.790 ( 5.392 9.032 -5.541) 11.889 20.158 ( -10.293 -5.998 0.073) 11.913 20.236 ( -3.926 6.090 0.055) 7.246 20.379 ( 11.176 -9.429 4.342) 15.253 20.526 ( 12.056 -18.058 -5.284) 22.347 21.845 ( 1.205 3.405 5.042) 6.202 21.893 ( 0.426 2.543 -1.542) 3.004 22.381 ( -1.293 2.473 0.528) 2.840 22.443 ( 2.267 -1.173 -3.318) 4.186 22.792 ( -4.580 1.761 7.993) 9.379 22.922 ( -1.573 -1.741 -5.441) 5.925 23.162 ( -2.747 -8.872 5.565) 10.827 23.272 ( -10.775 -17.176 -10.612) 22.885 ======================= Grid point 127 (39/102) ======================= q-point: ( 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 8.398 -12.591 1.617) 15.221 0.937 ( 13.136 -1.755 -10.316) 16.795 1.190 ( 4.057 -11.783 -6.966) 14.277 1.312 ( 7.822 -17.502 7.226) 20.487 1.573 ( 12.577 -24.721 8.110) 28.898 1.738 ( 9.593 -11.433 0.678) 14.940 1.967 ( 1.447 -3.675 -0.504) 3.982 2.158 ( 9.629 -2.506 6.979) 12.154 2.387 ( -3.329 -3.519 1.724) 5.141 2.568 ( 0.832 -5.308 -7.149) 8.943 2.657 ( 10.084 -5.360 -1.905) 11.578 2.712 ( 4.616 8.380 -7.966) 12.450 2.844 ( 3.227 -2.810 2.469) 4.940 2.966 ( 3.053 -3.328 0.614) 4.558 3.151 ( -6.307 0.030 2.123) 6.654 3.276 ( -2.920 -1.565 2.418) 4.102 3.352 ( -0.748 1.432 1.421) 2.151 3.427 ( 1.547 1.949 -1.566) 2.940 3.574 ( -0.701 1.518 0.330) 1.704 3.644 ( -4.697 -2.621 -1.791) 5.669 3.712 ( -1.619 -0.207 1.131) 1.986 3.784 ( 0.337 3.481 -1.277) 3.723 3.874 ( -3.920 2.901 0.030) 4.876 3.968 ( -9.236 -4.238 -1.347) 10.251 4.136 ( 5.787 3.441 -2.549) 7.199 4.222 ( 3.551 2.970 0.868) 4.710 4.408 ( -5.623 8.649 0.889) 10.354 4.532 ( -5.987 0.997 5.665) 8.303 4.583 ( 0.929 1.136 2.705) 3.077 4.695 ( -4.956 2.305 -0.303) 5.474 4.715 ( 4.862 2.690 -0.301) 5.564 4.898 ( 2.416 0.855 -4.991) 5.610 4.951 ( -1.135 -2.881 0.960) 3.242 5.168 ( -2.111 0.004 -0.806) 2.260 5.271 ( -3.482 -1.490 3.899) 5.436 5.381 ( -4.533 0.377 -2.493) 5.187 5.447 ( -1.901 -0.131 -2.638) 3.254 5.481 ( -4.514 0.781 3.137) 5.552 5.580 ( 0.514 0.065 -2.258) 2.317 5.665 ( -0.049 -4.626 -0.723) 4.682 5.908 ( 2.726 -1.835 0.164) 3.290 6.000 ( 1.146 -1.422 -1.062) 2.113 6.113 ( 4.004 0.840 2.460) 4.773 6.303 ( 10.442 4.684 -1.416) 11.532 6.317 ( -7.583 1.395 -2.797) 8.202 6.574 ( 3.596 -1.396 4.285) 5.765 6.744 ( 8.964 -0.081 1.826) 9.148 6.852 ( 12.295 1.526 -8.149) 14.829 7.075 ( 8.738 3.401 -0.591) 9.395 7.141 ( 5.205 1.990 0.310) 5.581 7.542 ( 2.352 -3.971 4.185) 6.230 7.715 ( 4.400 -1.238 -5.800) 7.385 8.050 ( -0.279 7.329 1.584) 7.503 8.159 ( -0.342 4.926 -0.265) 4.945 8.296 ( -4.431 6.123 5.330) 9.249 8.523 ( -0.941 7.971 -3.982) 8.960 8.839 ( -2.219 -2.376 -2.151) 3.899 8.908 ( 2.130 -1.925 0.280) 2.885 9.052 ( -2.738 0.238 9.208) 9.609 9.249 ( -5.673 1.824 11.642) 13.079 9.336 ( 9.500 -1.147 -7.708) 12.288 9.411 ( -3.905 1.764 2.861) 5.152 10.005 ( 0.371 2.022 -0.694) 2.169 10.198 ( 2.036 9.340 -3.949) 10.343 10.537 ( 0.573 -0.687 -2.238) 2.410 10.566 ( -0.148 1.762 2.008) 2.676 10.676 ( -10.306 -1.647 -1.430) 10.534 10.861 ( -1.228 -3.231 5.106) 6.166 11.013 ( 1.595 -1.115 0.780) 2.096 11.146 ( 5.607 3.422 -0.518) 6.589 11.287 ( 0.643 -2.511 -1.540) 3.015 11.427 ( 9.075 4.367 0.886) 10.110 11.871 ( -3.758 2.326 -0.932) 4.517 11.992 ( -3.925 -0.825 -0.261) 4.019 12.101 ( 5.540 1.928 -0.097) 5.866 12.139 ( 15.360 9.557 -0.579) 18.100 12.679 ( -1.600 -0.062 1.654) 2.302 12.724 ( -0.455 -0.723 -0.963) 1.288 13.531 ( -1.601 4.983 1.672) 5.495 13.585 ( -2.573 4.511 -2.899) 5.948 16.050 ( -1.201 0.587 5.060) 5.233 16.393 ( 8.282 11.305 -1.756) 14.124 17.838 ( -6.389 -8.214 -0.480) 10.418 17.854 ( -9.522 -5.908 1.986) 11.380 17.919 ( 3.959 -7.035 -0.954) 8.129 18.544 ( 20.126 2.303 -0.398) 20.261 19.220 ( -9.344 6.933 -0.344) 11.640 19.370 ( 3.995 13.552 -1.094) 14.171 19.555 ( 2.945 8.221 2.916) 9.206 19.617 ( 2.139 9.602 -4.022) 10.628 20.059 ( -4.588 9.601 0.196) 10.643 20.188 ( -2.746 -2.610 -1.660) 4.136 20.588 ( -0.023 -10.177 0.783) 10.207 20.950 ( 15.033 -16.279 1.106) 22.186 21.867 ( -0.370 -2.196 -1.751) 2.833 21.891 ( 3.582 -2.360 2.257) 4.847 22.301 ( -2.679 4.778 1.792) 5.763 22.446 ( 3.069 2.140 -6.022) 7.090 22.774 ( -5.212 -1.349 9.570) 10.980 22.957 ( -0.198 -3.897 -7.040) 8.049 23.276 ( -6.140 -5.582 7.685) 11.310 23.383 ( -9.440 -7.473 -8.040) 14.477 ======================= Grid point 128 (40/102) ======================= q-point: ( 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 7.071 -11.133 -4.710) 14.005 1.135 ( 10.455 -11.739 0.668) 15.735 1.394 ( 2.996 -10.030 -1.949) 10.648 1.646 ( 8.354 -9.914 7.156) 14.808 1.923 ( 5.448 -4.485 2.285) 7.417 2.030 ( 0.428 -13.137 1.110) 13.191 2.121 ( 14.100 -12.064 -2.011) 18.665 2.298 ( 7.034 -7.066 2.544) 10.290 2.457 ( 0.099 -1.706 2.593) 3.106 2.559 ( 5.706 4.416 -3.696) 8.107 2.728 ( 4.198 -8.001 -7.971) 12.049 2.844 ( 8.217 -4.496 -2.362) 9.660 2.938 ( 6.573 -3.173 1.779) 7.513 2.998 ( -5.228 0.862 3.655) 6.438 3.135 ( -1.371 -3.108 -2.769) 4.382 3.267 ( -3.728 -1.584 1.476) 4.312 3.324 ( -1.703 2.482 0.220) 3.019 3.389 ( -3.039 -0.231 0.497) 3.088 3.487 ( -0.076 7.771 -0.542) 7.790 3.655 ( 0.146 -0.542 -1.184) 1.310 3.700 ( -1.010 3.985 -1.252) 4.298 3.719 ( -2.020 -0.858 1.258) 2.530 3.824 ( -4.259 -1.228 -2.062) 4.889 3.942 ( -8.003 -0.322 -0.223) 8.013 4.098 ( 2.049 2.560 -1.191) 3.489 4.154 ( -3.732 4.950 6.202) 8.769 4.248 ( -0.694 7.236 1.057) 7.346 4.498 ( -4.725 0.132 2.027) 5.143 4.562 ( -2.481 0.759 -2.121) 3.351 4.652 ( 3.436 0.732 2.590) 4.365 4.729 ( 1.690 -1.123 -4.240) 4.700 4.901 ( -3.408 -2.654 1.336) 4.521 5.039 ( 1.944 -4.631 -2.159) 5.467 5.128 ( -1.642 2.546 -0.901) 3.161 5.213 ( -2.332 3.685 1.958) 4.780 5.326 ( -10.273 -0.954 1.277) 10.396 5.430 ( -4.326 -1.802 -1.013) 4.795 5.521 ( 1.731 -2.967 0.408) 3.459 5.580 ( 4.461 0.685 -1.518) 4.761 5.703 ( -4.439 -1.943 1.920) 5.212 5.977 ( 1.340 -0.744 -1.383) 2.064 6.043 ( 5.277 -3.509 1.421) 6.495 6.147 ( 3.636 -0.221 0.958) 3.766 6.200 ( -2.788 3.105 -2.119) 4.681 6.327 ( 9.422 2.605 -1.919) 9.962 6.662 ( 3.958 -3.712 2.978) 6.190 6.748 ( 12.515 8.420 -0.345) 15.087 6.879 ( 7.760 1.319 -6.679) 10.323 7.051 ( 6.779 6.006 2.361) 9.359 7.139 ( 2.778 0.927 1.115) 3.134 7.620 ( 2.137 -1.506 2.428) 3.568 7.759 ( 3.547 -1.390 -3.877) 5.435 7.944 ( 2.953 6.173 1.773) 7.069 8.066 ( -3.811 4.467 1.045) 5.964 8.203 ( -0.511 4.893 -0.167) 4.923 8.392 ( 0.078 3.241 -3.102) 4.487 8.814 ( -3.959 2.252 0.902) 4.643 8.935 ( -0.900 0.475 -1.473) 1.790 9.003 ( -7.049 3.029 8.485) 11.440 9.182 ( -5.220 2.126 6.258) 8.421 9.368 ( -4.164 0.655 1.912) 4.629 9.431 ( 9.121 -2.705 -9.475) 13.427 10.002 ( 0.901 -0.320 -1.423) 1.714 10.139 ( 3.563 -1.127 -0.290) 3.748 10.525 ( -0.055 2.067 -1.164) 2.373 10.561 ( 1.759 -1.000 -1.344) 2.429 10.659 ( -6.976 -3.941 1.812) 8.215 10.906 ( -3.216 -2.745 4.298) 6.029 11.035 ( 4.254 1.427 0.696) 4.541 11.116 ( 7.536 5.079 -1.584) 9.225 11.299 ( 0.516 1.421 -0.827) 1.723 11.357 ( 2.477 7.304 -0.978) 7.774 11.814 ( -1.479 2.663 -0.164) 3.050 11.944 ( -1.247 3.291 -0.443) 3.547 12.107 ( 4.352 1.621 0.948) 4.740 12.122 ( 8.906 2.565 -0.648) 9.291 12.691 ( -0.803 -2.127 1.683) 2.829 12.739 ( -0.558 -1.887 -1.343) 2.382 13.402 ( -3.312 7.950 0.759) 8.646 13.473 ( -2.264 5.115 -1.229) 5.727 16.052 ( 0.887 0.367 2.875) 3.031 16.271 ( 3.628 6.982 -2.316) 8.202 17.833 ( -10.532 -4.001 -0.790) 11.294 17.994 ( 1.198 -7.871 0.933) 8.016 18.096 ( 2.429 -9.175 -0.096) 9.491 18.581 ( 13.754 6.491 1.648) 15.298 18.965 ( -8.456 12.503 -1.068) 15.132 19.237 ( 1.167 4.553 1.178) 4.846 19.385 ( 2.602 11.194 -3.590) 12.040 19.525 ( 2.180 4.435 1.879) 5.287 19.854 ( -3.306 9.901 -0.072) 10.438 20.196 ( 0.526 0.494 -0.989) 1.224 20.753 ( -1.907 -9.278 -0.161) 9.473 21.295 ( 10.905 -11.736 1.885) 16.130 21.910 ( -0.555 -3.748 -1.769) 4.182 21.985 ( 3.210 -3.248 1.343) 4.760 22.194 ( -2.967 4.988 2.806) 6.446 22.389 ( 2.210 4.589 -7.228) 8.842 22.804 ( -3.888 -3.414 9.169) 10.528 23.011 ( 0.730 -3.319 -6.733) 7.542 23.307 ( -6.412 -1.971 5.801) 8.869 23.398 ( -7.051 -3.106 -4.529) 8.937 ======================= Grid point 129 (41/102) ======================= q-point: ( 0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 2.275 -10.878 0.299) 11.117 1.386 ( 2.620 -9.326 4.030) 10.492 1.614 ( 5.007 -11.595 2.035) 12.793 1.798 ( 7.799 -2.420 -0.902) 8.215 2.053 ( 9.782 -3.616 -3.891) 11.131 2.182 ( -0.496 -4.856 -2.564) 5.514 2.296 ( 5.091 2.672 -4.667) 7.405 2.479 ( 5.103 -3.696 4.602) 7.803 2.548 ( 4.491 -14.003 2.072) 14.851 2.587 ( 2.653 -0.049 1.633) 3.116 2.796 ( -0.221 0.586 -0.216) 0.663 2.914 ( -6.554 1.654 2.366) 7.162 2.938 ( 1.531 -2.863 -4.240) 5.340 3.052 ( 6.594 -1.881 2.283) 7.227 3.210 ( -0.411 -2.768 -2.764) 3.934 3.293 ( -0.268 -0.746 -0.483) 0.928 3.315 ( -1.084 -3.773 -0.531) 3.962 3.320 ( -1.819 4.522 0.675) 4.921 3.403 ( 1.591 -1.307 -1.305) 2.437 3.602 ( 0.251 5.724 -0.295) 5.737 3.631 ( -2.502 3.040 0.487) 3.967 3.724 ( 0.440 0.569 -1.505) 1.668 3.832 ( -4.890 -1.399 0.553) 5.116 3.877 ( -3.534 0.161 1.192) 3.733 4.082 ( -2.521 1.402 2.222) 3.641 4.100 ( -0.511 -2.307 0.682) 2.459 4.141 ( 1.117 5.209 1.950) 5.673 4.447 ( -2.466 2.325 0.623) 3.446 4.551 ( -4.195 -3.455 -4.739) 7.211 4.688 ( 5.541 0.482 1.569) 5.779 4.748 ( -0.217 -0.403 -2.868) 2.905 4.917 ( -6.315 -2.252 0.681) 6.739 5.071 ( -0.665 2.024 0.531) 2.195 5.084 ( -2.650 0.358 -1.317) 2.981 5.157 ( 0.487 1.294 2.696) 3.029 5.322 ( -6.190 -5.294 0.791) 8.183 5.421 ( -2.443 -0.465 -2.827) 3.766 5.545 ( -1.099 -0.446 3.248) 3.458 5.647 ( 5.520 -2.833 -2.010) 6.522 5.697 ( -2.683 0.171 2.464) 3.647 5.914 ( -4.414 4.800 -0.952) 6.590 6.148 ( 1.443 -1.961 -0.725) 2.541 6.189 ( 8.814 -1.441 1.611) 9.075 6.218 ( 4.844 -3.880 0.320) 6.214 6.357 ( 8.405 0.539 -2.510) 8.788 6.658 ( 7.456 8.339 -1.075) 11.238 6.750 ( 2.103 -1.198 1.870) 3.059 6.874 ( 1.984 2.111 -3.621) 4.637 7.014 ( 4.865 2.224 1.675) 5.605 7.148 ( 4.840 1.634 0.657) 5.151 7.639 ( -1.271 -0.120 1.908) 2.295 7.785 ( 3.404 1.088 -2.765) 4.519 7.876 ( 2.477 3.874 0.748) 4.659 7.972 ( -0.846 3.579 -1.197) 3.867 8.092 ( -0.770 5.390 2.979) 6.207 8.411 ( 4.408 -2.806 -6.640) 8.450 8.707 ( -8.144 5.775 4.195) 10.829 8.847 ( -5.786 4.957 2.579) 8.043 8.927 ( -4.265 1.249 -1.356) 4.647 9.150 ( -5.724 -1.147 8.635) 10.423 9.337 ( -2.164 0.451 0.745) 2.332 9.508 ( 7.803 -1.081 -9.849) 12.612 10.002 ( -1.336 0.073 0.999) 1.669 10.250 ( 3.559 -6.764 -0.091) 7.644 10.516 ( 3.331 -0.248 -1.954) 3.869 10.587 ( 0.379 -1.302 -0.922) 1.640 10.709 ( -3.850 -5.045 3.690) 7.341 10.928 ( -3.297 -1.252 1.157) 3.711 11.019 ( 1.489 2.620 0.762) 3.109 11.079 ( 8.107 5.104 -1.702) 9.730 11.224 ( 1.403 8.486 -0.720) 8.631 11.257 ( -0.621 2.671 0.183) 2.749 11.748 ( -1.697 3.133 -0.694) 3.630 11.880 ( 1.141 3.494 0.158) 3.679 12.124 ( 3.458 0.208 1.181) 3.660 12.146 ( 2.958 -0.303 -0.839) 3.089 12.747 ( 0.600 -3.640 1.027) 3.830 12.785 ( 0.547 -3.835 -0.949) 3.988 13.223 ( -4.583 8.625 -0.185) 9.768 13.370 ( -1.434 4.782 0.007) 4.992 16.059 ( 0.564 0.022 1.857) 1.941 16.188 ( 1.482 4.178 -1.792) 4.782 17.833 ( -5.304 -2.677 -0.609) 5.973 18.122 ( -0.113 -5.513 1.819) 5.807 18.265 ( -0.116 -8.867 -1.371) 8.973 18.553 ( 11.171 7.355 0.049) 13.375 18.716 ( -7.672 7.382 0.858) 10.681 19.198 ( -1.777 1.452 -0.295) 2.313 19.218 ( 5.817 9.177 -0.895) 10.902 19.470 ( -0.810 2.811 0.641) 2.995 19.679 ( -0.839 7.637 0.041) 7.683 20.180 ( 0.584 1.404 -0.357) 1.562 20.884 ( -1.140 -6.680 -0.241) 6.781 21.536 ( 6.869 -8.025 1.192) 10.630 21.974 ( -1.057 -4.223 -1.229) 4.523 22.005 ( -0.398 3.019 -0.032) 3.045 22.124 ( -0.597 1.975 4.388) 4.849 22.308 ( 1.593 3.850 -6.360) 7.603 22.868 ( -1.669 -4.030 6.108) 7.505 23.048 ( 0.602 -1.573 -4.574) 4.874 23.292 ( -4.434 -0.182 2.772) 5.232 23.386 ( -4.557 -1.358 -1.868) 5.109 ======================= Grid point 130 (42/102) ======================= q-point: ( 0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.889 -8.157 6.833) 11.026 1.549 ( 0.891 -6.640 0.560) 6.723 1.731 ( 3.076 2.313 -7.123) 8.096 1.965 ( 10.914 -7.811 -1.556) 13.511 2.068 ( 0.017 6.017 1.158) 6.127 2.220 ( 1.041 -2.714 -1.461) 3.254 2.270 ( 1.831 4.403 0.193) 4.773 2.546 ( -2.412 -2.302 2.752) 4.323 2.580 ( 0.568 -0.119 -1.977) 2.060 2.772 ( -1.211 0.650 2.295) 2.675 2.827 ( 4.065 -9.481 1.676) 10.451 2.867 ( -2.763 -1.434 -1.067) 3.291 2.990 ( -1.161 -3.284 -3.862) 5.201 3.088 ( 3.415 0.315 1.311) 3.671 3.153 ( -0.904 7.596 -0.789) 7.690 3.218 ( 0.315 1.855 -0.475) 1.941 3.296 ( -3.351 1.690 4.033) 5.509 3.433 ( -2.072 0.080 4.321) 4.793 3.466 ( 3.803 -4.810 -4.437) 7.568 3.508 ( 1.372 -0.694 -0.631) 1.663 3.614 ( -0.118 0.038 -0.266) 0.293 3.681 ( 0.376 3.218 -3.417) 4.708 3.761 ( -0.851 2.454 2.450) 3.570 3.958 ( 0.428 -6.835 -1.274) 6.966 4.030 ( -6.245 2.735 3.222) 7.541 4.097 ( 3.261 2.008 -0.811) 3.915 4.153 ( 0.899 -2.998 -2.149) 3.796 4.401 ( -2.261 1.149 1.624) 3.011 4.573 ( -2.104 -0.901 -2.382) 3.303 4.706 ( 2.978 1.562 1.490) 3.678 4.730 ( 1.230 0.882 0.985) 1.805 4.903 ( -4.806 -1.809 -3.319) 6.115 5.008 ( -2.533 2.506 -0.367) 3.582 5.075 ( -0.005 -1.007 1.385) 1.712 5.186 ( 4.052 -1.304 1.802) 4.622 5.308 ( -7.217 1.634 0.074) 7.400 5.472 ( -0.133 -5.305 -0.441) 5.325 5.564 ( 1.897 -0.645 0.127) 2.008 5.668 ( 0.791 1.540 1.754) 2.465 5.706 ( 0.181 -0.553 1.069) 1.217 5.796 ( -2.428 3.997 -1.750) 4.993 6.169 ( 1.111 0.237 -0.115) 1.142 6.297 ( 7.341 -2.942 -0.734) 7.943 6.326 ( -1.169 -4.826 1.726) 5.257 6.410 ( 5.546 -0.007 -1.854) 5.847 6.563 ( 1.454 5.264 -0.238) 5.466 6.731 ( -0.286 2.137 -0.187) 2.164 6.855 ( -0.952 0.190 -0.283) 1.011 7.044 ( 1.638 -1.535 0.650) 2.337 7.148 ( 3.602 2.069 -0.494) 4.183 7.623 ( -1.629 0.320 1.353) 2.142 7.753 ( 0.854 2.863 -1.068) 3.173 7.859 ( -0.034 -0.480 -1.627) 1.696 7.940 ( 2.442 0.426 -1.575) 2.937 8.048 ( 1.416 0.909 2.598) 3.095 8.492 ( 3.188 -1.497 -2.734) 4.458 8.522 ( -7.858 4.884 1.540) 9.380 8.766 ( -0.172 1.997 -0.185) 2.012 8.880 ( -3.170 0.713 0.144) 3.252 9.158 ( -4.029 -1.053 10.647) 11.432 9.324 ( -0.796 -0.267 -0.761) 1.133 9.538 ( 4.122 0.327 -8.956) 9.865 9.996 ( -0.252 -0.228 0.263) 0.430 10.373 ( 0.722 -3.932 0.946) 4.108 10.551 ( 3.078 -0.365 -1.377) 3.391 10.614 ( -0.827 -2.085 -0.241) 2.256 10.775 ( -1.281 -2.816 3.662) 4.794 10.885 ( -0.698 2.540 -1.865) 3.228 11.020 ( -3.300 -2.939 1.500) 4.667 11.037 ( 7.299 5.763 -2.111) 9.536 11.093 ( -1.682 4.401 0.044) 4.711 11.228 ( 0.815 0.873 0.601) 1.337 11.691 ( -0.800 1.525 -1.169) 2.082 11.843 ( 0.307 1.413 1.073) 1.801 12.141 ( 1.355 0.106 0.081) 1.362 12.170 ( 0.774 -0.724 -0.124) 1.068 12.808 ( 0.422 -2.014 0.127) 2.061 12.884 ( 2.679 -6.066 -0.078) 6.632 13.043 ( -4.412 7.713 -0.477) 8.899 13.295 ( -0.359 2.406 0.351) 2.458 16.070 ( -0.271 -0.914 1.378) 1.675 16.135 ( 0.772 2.322 -1.410) 2.824 17.841 ( -1.564 -1.027 -0.282) 1.892 18.197 ( -0.186 -3.015 3.107) 4.333 18.376 ( -3.674 -4.325 -4.847) 7.463 18.461 ( 6.018 7.452 -1.109) 9.642 18.653 ( -2.073 -1.942 4.615) 5.419 19.080 ( 2.345 6.352 -4.367) 8.057 19.217 ( 0.341 -1.132 3.534) 3.727 19.422 ( -1.478 1.297 -0.746) 2.103 19.585 ( 0.381 2.751 0.199) 2.784 20.162 ( 0.138 0.630 -0.008) 0.645 20.961 ( -0.230 -2.414 -0.126) 2.428 21.683 ( 2.687 -3.906 0.768) 4.802 21.930 ( -1.131 2.931 0.028) 3.141 22.030 ( -1.037 -2.879 -1.132) 3.262 22.097 ( 0.345 1.560 1.884) 2.471 22.260 ( 0.999 2.011 -2.560) 3.405 22.936 ( 0.085 -3.131 2.131) 3.788 23.050 ( -0.817 0.767 -0.640) 1.290 23.274 ( -0.828 0.078 0.022) 0.832 23.375 ( -1.851 -0.436 -0.430) 1.950 ======================= Grid point 132 (43/102) ======================= q-point: (-0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -5.068 -4.171 7.492) 9.961 1.541 ( 0.360 8.549 -2.486) 8.910 1.688 ( 2.199 0.279 -10.028) 10.270 1.881 ( -7.202 10.153 4.626) 13.280 2.116 ( 0.728 -0.189 4.098) 4.166 2.159 ( 1.932 5.589 -4.062) 7.174 2.282 ( -4.530 -3.345 0.117) 5.632 2.557 ( -1.482 -1.219 2.984) 3.548 2.609 ( 3.552 -1.216 -4.264) 5.681 2.782 ( -2.696 -1.748 0.906) 3.338 2.828 ( 2.546 5.413 0.022) 5.981 2.897 ( -5.537 7.820 4.047) 10.401 2.955 ( 1.521 -0.039 -5.623) 5.825 3.105 ( -1.846 -4.264 -0.790) 4.713 3.165 ( 4.356 -3.395 -0.459) 5.542 3.185 ( -0.845 -2.492 0.790) 2.747 3.276 ( -2.050 -0.190 4.262) 4.734 3.385 ( -2.736 2.617 2.239) 4.399 3.509 ( -0.622 6.152 -1.281) 6.315 3.527 ( -2.004 0.638 1.945) 2.864 3.596 ( 3.261 -4.576 -3.910) 6.845 3.670 ( 1.015 -1.518 -1.419) 2.313 3.803 ( 5.321 -2.174 -0.199) 5.751 3.919 ( -3.632 4.893 2.325) 6.522 4.063 ( -0.227 -3.553 -1.676) 3.935 4.078 ( -0.062 1.257 0.708) 1.444 4.206 ( 1.792 -2.723 -4.415) 5.488 4.391 ( 0.506 -1.071 2.474) 2.743 4.520 ( 2.393 5.609 1.646) 6.316 4.699 ( 0.971 1.088 2.132) 2.583 4.749 ( 0.418 -0.997 -1.922) 2.205 4.897 ( -1.521 -0.800 -1.820) 2.503 4.996 ( 1.687 -1.664 0.665) 2.461 5.111 ( 2.066 -1.805 -1.426) 3.092 5.205 ( -4.908 1.622 0.545) 5.198 5.277 ( 4.123 -2.328 2.252) 5.243 5.463 ( 3.824 7.481 -0.159) 8.403 5.597 ( 2.367 -1.278 -2.356) 3.576 5.670 ( -2.819 2.783 3.777) 5.473 5.700 ( -1.375 -2.911 0.276) 3.232 5.776 ( 0.663 -2.975 -0.857) 3.166 6.160 ( 0.402 1.394 0.348) 1.492 6.293 ( -5.622 3.739 -0.119) 6.752 6.366 ( -2.812 0.033 0.450) 2.847 6.408 ( -2.433 0.903 -3.536) 4.386 6.524 ( -2.361 -1.692 2.387) 3.760 6.763 ( 2.962 -5.243 -2.079) 6.371 6.842 ( -2.786 0.003 0.778) 2.893 7.055 ( -0.791 1.196 0.059) 1.435 7.138 ( -2.534 -1.103 -0.060) 2.764 7.638 ( 0.314 -2.077 0.781) 2.241 7.735 ( 3.366 0.843 -0.497) 3.506 7.860 ( -5.290 -3.003 -1.247) 6.209 7.951 ( -2.495 -1.344 -1.762) 3.337 8.091 ( 6.699 -2.047 -1.411) 7.146 8.339 ( -10.942 3.632 5.926) 12.963 8.641 ( 10.506 -5.700 -4.303) 12.704 8.759 ( 4.213 0.724 -0.047) 4.276 8.863 ( -0.145 -0.169 1.423) 1.440 9.167 ( -1.282 0.092 9.577) 9.663 9.329 ( -1.280 -0.838 0.311) 1.561 9.528 ( 0.905 0.197 -9.255) 9.301 10.005 ( 1.425 0.057 -0.319) 1.462 10.373 ( -2.223 3.360 1.006) 4.152 10.547 ( 0.076 1.901 -1.109) 2.202 10.613 ( -2.532 1.309 -0.161) 2.855 10.796 ( 2.221 -0.544 3.375) 4.077 10.867 ( 0.954 2.304 -1.817) 3.086 10.995 ( -2.807 -2.744 1.226) 4.112 11.055 ( 1.347 0.697 -1.387) 2.055 11.092 ( -0.174 -5.511 0.105) 5.515 11.236 ( -1.782 -2.079 0.079) 2.739 11.687 ( 0.916 -1.205 -0.878) 1.750 11.842 ( -1.028 -1.288 1.152) 2.011 12.141 ( -1.266 -0.007 0.079) 1.269 12.174 ( -0.537 0.365 -0.313) 0.721 12.806 ( -0.240 2.399 0.219) 2.421 12.894 ( -3.044 5.723 -0.640) 6.514 13.032 ( 3.662 -7.885 0.175) 8.695 13.298 ( 1.425 -2.165 0.207) 2.600 16.094 ( -1.806 -2.062 1.974) 3.378 16.112 ( 1.221 0.582 -2.018) 2.430 17.841 ( 1.506 1.041 -0.230) 1.845 18.240 ( 1.016 0.227 3.367) 3.524 18.314 ( 2.577 6.003 -3.879) 7.598 18.459 ( -6.286 -4.916 -0.607) 8.004 18.689 ( 2.191 -0.523 2.206) 3.153 19.036 ( -0.814 -2.124 -1.248) 2.595 19.252 ( -1.116 -2.357 0.768) 2.719 19.412 ( 1.265 -0.737 -0.331) 1.501 19.590 ( -0.550 -3.354 -0.071) 3.400 20.162 ( -0.123 -0.615 -0.024) 0.628 20.958 ( 0.330 2.817 0.061) 2.836 21.682 ( -3.011 3.759 0.796) 4.881 21.936 ( 1.028 -3.373 -0.310) 3.540 22.026 ( 1.223 2.624 -0.691) 2.976 22.124 ( -1.118 -4.032 0.729) 4.247 22.226 ( 0.605 1.912 -1.209) 2.341 22.973 ( -0.404 0.322 0.651) 0.832 23.016 ( -0.454 1.343 0.626) 1.550 23.280 ( 2.293 -0.052 -0.275) 2.310 23.373 ( 1.394 0.296 -0.345) 1.467 ======================= Grid point 133 (44/102) ======================= q-point: (-0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -3.525 15.443 -4.054) 16.351 1.427 ( -5.617 10.305 1.447) 11.826 1.634 ( -8.883 11.083 2.252) 14.381 1.727 ( -1.051 -4.690 2.862) 5.593 2.028 ( -5.162 5.072 -2.508) 7.659 2.120 ( 0.722 4.008 1.164) 4.235 2.262 ( -5.546 -1.804 -3.192) 6.648 2.515 ( -13.119 7.458 -0.139) 15.091 2.575 ( -2.606 9.619 5.956) 11.610 2.657 ( 2.690 -0.368 -4.721) 5.446 2.754 ( -2.578 2.527 0.942) 3.731 2.876 ( 1.984 3.287 1.158) 4.011 2.973 ( 1.464 -0.846 -1.112) 2.024 3.111 ( -3.668 -1.394 -3.352) 5.160 3.172 ( 1.055 3.839 1.238) 4.169 3.262 ( -2.309 0.003 0.352) 2.335 3.298 ( 1.195 -0.787 0.381) 1.481 3.335 ( -0.035 -0.744 1.113) 1.339 3.417 ( 4.441 -1.083 -3.402) 5.698 3.561 ( -0.978 -3.338 1.187) 3.675 3.653 ( -0.356 -2.280 -0.239) 2.320 3.714 ( 0.668 -1.627 0.704) 1.894 3.838 ( 5.851 3.414 -1.995) 7.062 3.857 ( 2.387 0.665 3.336) 4.156 4.053 ( -3.734 1.204 2.993) 4.935 4.099 ( -0.688 -3.487 0.451) 3.582 4.259 ( 3.910 -1.677 -3.612) 5.581 4.441 ( 1.070 0.826 4.108) 4.325 4.499 ( 8.433 -3.125 -4.204) 9.928 4.678 ( -1.156 1.425 1.547) 2.400 4.757 ( 0.025 -0.632 -4.034) 4.083 4.899 ( -1.619 0.190 2.411) 2.910 5.047 ( 3.062 -0.474 0.989) 3.252 5.125 ( 0.962 0.955 -1.645) 2.131 5.185 ( -0.107 -1.281 -0.403) 1.347 5.359 ( 5.512 -1.828 1.345) 5.961 5.369 ( 7.639 5.468 -1.787) 9.563 5.566 ( -4.631 4.427 3.764) 7.430 5.621 ( -1.120 0.043 -2.431) 2.677 5.718 ( 0.764 1.338 1.420) 2.095 5.871 ( 2.400 -5.167 1.163) 5.815 6.133 ( -1.323 0.961 0.119) 1.639 6.194 ( -9.825 0.800 1.106) 9.920 6.243 ( -6.658 6.104 -0.364) 9.040 6.363 ( -3.209 0.845 -3.475) 4.805 6.610 ( -6.504 -9.268 1.852) 11.473 6.811 ( -4.324 0.784 1.647) 4.693 6.846 ( 1.353 0.003 -4.828) 5.014 7.048 ( -3.967 -4.944 -0.661) 6.373 7.140 ( -6.288 -2.430 1.188) 6.846 7.671 ( -2.489 -1.531 2.157) 3.633 7.730 ( -0.457 0.715 -1.882) 2.064 7.916 ( -0.613 -3.868 2.099) 4.443 7.979 ( -1.478 -6.218 -6.028) 8.785 8.172 ( 4.193 -1.928 -0.096) 4.616 8.266 ( -4.986 -1.378 2.145) 5.600 8.778 ( 7.026 0.862 0.695) 7.112 8.811 ( 3.465 -5.009 3.895) 7.229 8.906 ( 5.539 -3.135 -1.030) 6.447 9.187 ( 1.449 -0.682 6.128) 6.334 9.316 ( -2.423 1.559 2.642) 3.909 9.528 ( 0.643 -2.361 -11.312) 11.574 9.996 ( 0.079 2.005 1.442) 2.471 10.258 ( -2.743 6.490 -0.547) 7.067 10.502 ( 0.075 1.829 -0.936) 2.056 10.568 ( -2.201 1.372 0.608) 2.664 10.789 ( 3.634 4.992 -3.272) 6.988 10.863 ( -0.748 -2.663 6.207) 6.795 11.041 ( -5.957 -4.289 1.551) 7.502 11.062 ( -0.397 -1.353 -2.412) 2.794 11.213 ( -0.094 -7.124 -0.028) 7.124 11.272 ( -1.653 -3.515 -0.717) 3.950 11.738 ( 2.237 -3.094 -0.125) 3.820 11.879 ( -1.602 -3.820 0.241) 4.150 12.123 ( -4.011 -0.178 0.860) 4.106 12.154 ( -2.482 0.333 -0.911) 2.665 12.744 ( -0.202 3.631 0.935) 3.755 12.794 ( -0.974 3.882 -1.210) 4.181 13.209 ( 3.649 -8.835 0.602) 9.578 13.376 ( 2.561 -4.523 -0.337) 5.209 16.107 ( -0.767 -0.931 0.519) 1.313 16.140 ( -1.399 -3.376 -0.507) 3.690 17.830 ( 5.047 2.704 -0.382) 5.739 18.177 ( -0.446 6.939 -1.096) 7.039 18.216 ( 1.661 7.305 1.152) 7.580 18.525 ( -10.886 -9.031 1.495) 14.223 18.758 ( 7.306 -5.046 -1.386) 8.987 19.119 ( -1.706 -7.072 2.173) 7.592 19.281 ( -3.760 -3.420 -2.484) 5.657 19.468 ( 2.608 -3.685 0.728) 4.572 19.690 ( -0.509 -8.221 -0.534) 8.254 20.176 ( -0.140 -0.825 -0.168) 0.854 20.874 ( 1.022 6.984 0.296) 7.065 21.548 ( -7.116 7.018 0.577) 10.011 21.970 ( 1.227 4.285 -1.293) 4.641 22.008 ( -0.089 -2.409 0.093) 2.412 22.159 ( -2.134 -0.612 5.865) 6.271 22.249 ( 3.111 -4.555 -6.394) 8.445 22.916 ( -2.893 4.000 6.013) 7.779 23.013 ( 2.847 0.737 -5.297) 6.059 23.296 ( 2.954 1.149 2.418) 3.987 23.389 ( 5.857 0.460 -2.020) 6.213 ======================= Grid point 134 (45/102) ======================= q-point: (-0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -5.657 13.309 -4.091) 15.029 1.148 ( -8.835 13.577 0.630) 16.210 1.343 ( -5.260 15.594 -0.385) 16.462 1.812 ( -9.197 -3.725 2.873) 10.330 1.838 ( -5.534 9.817 2.344) 11.510 2.004 ( -2.535 9.245 2.156) 9.826 2.130 ( -13.849 13.252 -2.486) 19.328 2.328 ( -10.578 1.715 1.680) 10.847 2.444 ( -1.309 3.480 3.426) 5.056 2.562 ( -1.933 5.957 -4.866) 7.931 2.693 ( -1.082 2.469 -3.774) 4.638 2.793 ( 1.048 6.085 -1.026) 6.259 2.955 ( -4.869 2.666 0.163) 5.554 3.020 ( -7.383 4.607 2.447) 9.040 3.190 ( 7.846 -1.726 -6.101) 10.088 3.261 ( 2.413 -0.608 0.968) 2.670 3.314 ( 2.396 -0.591 1.477) 2.876 3.354 ( -1.163 -0.620 3.415) 3.660 3.545 ( 4.887 -5.810 -4.890) 9.031 3.603 ( -3.066 -2.980 1.539) 4.544 3.696 ( 0.892 -1.410 0.951) 1.921 3.753 ( 2.580 -2.656 -2.120) 4.267 3.832 ( 8.153 1.513 -2.784) 8.747 3.900 ( 5.421 -1.140 2.288) 5.994 4.006 ( -4.186 0.780 5.920) 7.292 4.206 ( 3.473 -6.236 1.190) 7.236 4.300 ( 2.026 -1.298 -0.746) 2.519 4.455 ( 2.213 -1.041 1.756) 3.011 4.616 ( -0.494 -4.801 -2.858) 5.609 4.658 ( 1.871 1.204 2.135) 3.084 4.775 ( 0.295 -3.775 -8.181) 9.015 4.846 ( -3.678 4.244 4.821) 7.401 5.045 ( 3.839 2.929 -0.970) 4.926 5.139 ( 3.390 -0.967 0.408) 3.548 5.212 ( 2.693 -1.561 -2.657) 4.093 5.337 ( -1.563 3.313 4.452) 5.765 5.444 ( 9.906 -1.841 -1.906) 10.255 5.495 ( 1.191 1.060 -0.957) 1.860 5.595 ( -1.024 1.762 -0.943) 2.245 5.679 ( -0.657 2.871 3.489) 4.566 5.941 ( -4.417 -0.912 0.545) 4.543 6.074 ( -3.954 3.256 -0.103) 5.123 6.115 ( 0.105 1.419 2.302) 2.707 6.193 ( -1.222 -2.743 -1.504) 3.358 6.321 ( -7.536 -1.263 -1.647) 7.816 6.707 ( -10.122 -6.193 2.582) 12.144 6.758 ( -4.838 1.494 0.138) 5.065 6.802 ( -2.326 0.291 -4.210) 4.819 7.110 ( -4.107 -1.903 -1.701) 4.835 7.165 ( -8.323 -8.237 -1.085) 11.760 7.652 ( -7.918 0.210 4.380) 9.051 7.714 ( 1.164 0.640 -5.051) 5.223 7.971 ( 0.584 -2.628 3.561) 4.464 8.080 ( -2.515 -5.921 -6.865) 9.408 8.247 ( 1.057 -5.832 4.208) 7.269 8.318 ( 2.572 -4.510 -2.123) 5.609 8.792 ( 6.474 3.179 4.077) 8.285 8.900 ( -0.767 -3.000 3.168) 4.430 9.041 ( 4.843 -6.763 0.458) 8.331 9.215 ( -6.037 -0.023 7.811) 9.872 9.267 ( 4.329 2.545 -1.446) 5.225 9.561 ( -0.506 -3.041 -9.943) 10.410 9.962 ( 0.145 0.642 1.008) 1.204 10.140 ( -3.069 3.458 -0.330) 4.635 10.498 ( 4.155 0.984 0.279) 4.279 10.543 ( -2.681 -1.160 0.417) 2.950 10.725 ( 4.099 4.230 -3.439) 6.821 10.912 ( 0.125 -1.357 5.606) 5.769 11.047 ( -6.011 -1.123 0.175) 6.117 11.087 ( -3.935 -3.430 -0.691) 5.265 11.298 ( -1.683 -3.057 -1.007) 3.632 11.335 ( -1.051 -4.337 0.386) 4.479 11.814 ( 2.128 -3.292 -0.133) 3.922 11.949 ( 1.265 -3.873 -0.703) 4.134 12.103 ( -6.958 -2.288 0.888) 7.378 12.126 ( -6.857 -1.415 -0.583) 7.026 12.698 ( 0.367 1.770 1.628) 2.433 12.736 ( 0.838 2.315 -1.571) 2.921 13.388 ( 2.552 -8.284 1.248) 8.757 13.480 ( 3.326 -4.780 -1.324) 5.972 16.130 ( -0.347 -2.290 -0.532) 2.377 16.197 ( -4.490 -5.527 0.849) 7.171 17.821 ( 9.184 4.194 -0.071) 10.097 18.021 ( -1.498 8.961 -0.643) 9.108 18.080 ( -1.184 8.104 0.796) 8.229 18.602 ( -13.627 -9.144 0.566) 16.420 18.965 ( 9.303 -10.402 -1.151) 14.003 19.238 ( 0.509 -5.510 1.476) 5.727 19.338 ( -6.513 -9.241 -0.942) 11.345 19.567 ( 0.072 -6.011 -0.858) 6.072 19.860 ( 1.592 -10.414 -0.512) 10.547 20.178 ( 1.399 1.361 0.015) 1.952 20.736 ( 0.854 9.420 0.811) 9.494 21.336 ( -11.383 9.413 -0.375) 14.775 21.883 ( 0.793 5.890 -0.116) 5.944 21.987 ( -2.926 2.611 1.038) 4.057 22.218 ( 0.978 -4.824 2.923) 5.725 22.346 ( 2.575 -4.639 -5.696) 7.784 22.838 ( -2.378 3.973 8.081) 9.314 22.998 ( 3.794 2.058 -7.453) 8.613 23.284 ( 3.278 3.688 4.970) 7.003 23.430 ( 9.731 0.972 -4.259) 10.667 ======================= Grid point 135 (46/102) ======================= q-point: (-0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -7.294 10.226 -1.289) 12.627 0.890 ( -8.281 6.984 -0.818) 10.864 1.025 ( -3.487 14.970 -1.267) 15.423 1.565 ( -5.304 13.738 -5.624) 15.764 1.614 ( -20.413 16.053 1.939) 26.042 1.693 ( -12.787 20.386 0.905) 24.082 1.905 ( -0.250 5.092 7.441) 9.021 2.150 ( -11.901 1.096 5.763) 13.268 2.499 ( 2.499 1.888 -4.371) 5.377 2.547 ( 1.464 -2.947 -0.566) 3.339 2.584 ( -2.513 6.651 -3.738) 8.032 2.686 ( -2.981 -1.105 -4.672) 5.651 2.873 ( -0.986 2.670 0.337) 2.866 2.930 ( -7.026 0.311 2.372) 7.422 3.232 ( 5.872 0.094 -3.750) 6.968 3.323 ( 6.126 0.097 -0.605) 6.157 3.325 ( -1.755 -0.163 4.646) 4.969 3.357 ( -3.490 -1.244 1.637) 4.051 3.606 ( 0.734 1.632 0.583) 1.882 3.663 ( 4.940 -4.248 -4.615) 7.984 3.722 ( -1.064 -0.682 2.321) 2.642 3.784 ( 0.952 -0.232 -3.864) 3.986 3.906 ( 6.162 -1.373 -0.371) 6.324 3.946 ( 8.271 1.892 -1.251) 8.576 4.026 ( -3.634 -4.947 4.543) 7.636 4.266 ( 0.675 1.462 -1.701) 2.343 4.394 ( 0.122 -8.751 2.858) 9.207 4.541 ( 5.261 -5.416 1.858) 7.776 4.650 ( -2.764 -1.776 -0.207) 3.292 4.689 ( -0.337 -3.855 0.424) 3.893 4.737 ( -4.048 4.246 5.556) 8.080 4.839 ( -0.660 -2.763 -9.293) 9.717 5.045 ( 7.254 -0.163 -3.783) 8.183 5.169 ( 2.647 2.673 -2.134) 4.325 5.230 ( -2.850 -2.917 8.864) 9.757 5.337 ( 2.403 -2.467 -1.418) 3.725 5.492 ( 4.004 2.966 -3.661) 6.183 5.525 ( 8.387 2.809 -0.015) 8.845 5.570 ( 5.461 -0.325 -1.213) 5.603 5.629 ( -6.095 0.623 0.947) 6.199 5.867 ( -4.644 2.188 1.325) 5.302 6.029 ( 0.186 2.310 -1.696) 2.872 6.105 ( -3.609 -1.426 3.184) 5.020 6.267 ( 1.735 -1.699 -0.205) 2.437 6.296 ( -4.969 -4.241 -0.777) 6.578 6.674 ( -6.451 1.129 0.753) 6.592 6.691 ( -7.743 1.375 2.229) 8.174 6.801 ( -5.237 -1.652 -3.854) 6.709 7.078 ( -4.990 0.819 -0.720) 5.108 7.238 ( -9.324 -7.048 -7.049) 13.649 7.583 ( -8.958 1.096 5.696) 10.672 7.686 ( 1.141 2.062 -8.279) 8.608 8.052 ( 1.150 -5.450 3.282) 6.465 8.142 ( -2.344 -5.705 -2.015) 6.488 8.382 ( -2.978 -6.233 8.637) 11.060 8.442 ( 8.376 -6.270 -6.489) 12.312 8.780 ( 5.543 4.103 3.667) 7.811 8.921 ( -2.225 -0.228 0.087) 2.238 9.125 ( -8.312 1.313 8.189) 11.742 9.179 ( 3.261 -0.181 -2.478) 4.099 9.315 ( -1.375 -8.116 4.962) 9.611 9.562 ( -4.961 -1.345 -4.073) 6.558 10.024 ( 4.053 -5.564 -2.025) 7.175 10.122 ( -1.684 -4.587 -0.022) 4.886 10.504 ( 3.160 0.625 0.279) 3.233 10.584 ( -0.412 -3.430 0.403) 3.478 10.689 ( 6.575 3.714 -1.911) 7.790 10.930 ( 0.609 0.933 1.270) 1.689 10.994 ( -4.103 2.673 1.735) 5.195 11.116 ( -5.191 -3.585 0.858) 6.366 11.297 ( -4.423 -0.240 -2.399) 5.038 11.403 ( -1.072 -3.890 2.523) 4.759 11.874 ( 2.041 -1.964 -1.018) 3.010 12.000 ( 4.253 0.872 -0.786) 4.412 12.099 ( -7.829 -2.053 0.004) 8.094 12.132 ( -13.459 -8.929 -0.073) 16.152 12.691 ( 0.078 -0.057 1.876) 1.878 12.714 ( 1.591 1.071 -1.304) 2.319 13.529 ( 0.966 -5.673 1.767) 6.020 13.582 ( 4.000 -3.986 -2.720) 6.267 16.187 ( 2.270 -4.172 -3.621) 5.972 16.285 ( -11.547 -11.112 5.258) 16.866 17.796 ( 7.686 7.491 1.749) 10.874 17.871 ( -0.843 5.892 0.649) 5.987 17.940 ( 4.081 7.394 -1.656) 8.606 18.611 ( -20.613 -4.773 -4.417) 21.615 19.193 ( 9.767 -5.540 1.297) 11.303 19.351 ( -4.687 -11.484 0.141) 12.404 19.516 ( -2.315 -12.957 2.221) 13.348 19.665 ( -1.674 -6.004 -4.101) 7.461 20.062 ( 3.428 -9.803 -0.066) 10.385 20.141 ( 7.304 6.636 1.461) 9.976 20.566 ( -3.190 8.818 1.764) 9.542 21.046 ( -15.736 11.807 -4.538) 20.189 21.793 ( 0.765 4.428 3.351) 5.606 21.924 ( -2.631 1.457 -0.311) 3.023 22.320 ( 0.752 -4.962 1.955) 5.386 22.412 ( 1.911 -2.004 -4.850) 5.585 22.783 ( -0.744 2.753 8.123) 8.609 22.968 ( 3.666 2.525 -7.342) 8.586 23.231 ( 3.858 6.695 5.909) 9.727 23.459 ( 12.073 4.302 -8.011) 15.114 ======================= Grid point 136 (47/102) ======================= q-point: (-0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( -13.635 6.607 13.290) 20.154 0.639 ( -3.713 16.318 15.373) 22.725 0.900 ( -0.581 -0.176 -17.957) 17.968 1.081 ( -19.174 23.523 19.995) 36.342 1.239 ( -18.116 12.680 -13.894) 26.116 1.388 ( 7.992 7.508 -14.339) 18.052 1.872 ( 4.945 2.075 7.676) 9.364 2.134 ( -7.273 -5.741 0.303) 9.271 2.347 ( -5.390 9.913 1.960) 11.453 2.410 ( -1.240 5.683 -6.025) 8.375 2.653 ( -2.186 -4.637 6.811) 8.525 2.771 ( -1.721 -5.228 -2.152) 5.910 2.859 ( 1.423 -2.537 2.817) 4.049 2.962 ( -0.632 -6.949 -2.789) 7.514 3.247 ( -0.453 1.782 2.714) 3.278 3.314 ( 2.988 -0.681 -2.240) 3.796 3.357 ( -2.455 -2.010 -0.528) 3.217 3.373 ( 0.916 -1.907 -1.257) 2.461 3.552 ( 3.239 6.097 -0.303) 6.910 3.651 ( -3.170 5.385 -1.327) 6.388 3.739 ( -2.092 0.191 0.097) 2.103 3.786 ( 2.925 -0.567 -3.623) 4.691 3.920 ( 4.170 1.773 0.788) 4.600 3.970 ( 2.858 1.706 -0.915) 3.452 4.091 ( -1.530 -2.998 3.362) 4.757 4.254 ( -3.286 -2.025 -7.077) 8.062 4.556 ( 1.034 -6.844 5.698) 8.965 4.642 ( -1.088 1.126 2.729) 3.146 4.681 ( 0.095 -4.264 2.341) 4.865 4.721 ( 1.526 -5.614 -0.721) 5.862 4.761 ( -3.154 -4.906 -0.502) 5.854 4.825 ( 0.964 1.306 -8.952) 9.098 5.106 ( -1.353 -3.187 3.056) 4.618 5.173 ( 3.945 -1.478 -4.329) 6.040 5.282 ( 2.333 -0.613 5.206) 5.738 5.353 ( 6.050 4.602 -2.732) 8.077 5.424 ( 2.956 5.182 -1.810) 6.234 5.528 ( -17.377 1.289 -6.544) 18.613 5.548 ( 6.426 0.520 0.855) 6.504 5.629 ( 4.698 -0.337 -1.642) 4.988 5.856 ( 3.784 -0.449 2.403) 4.505 5.970 ( -2.715 2.731 -1.237) 4.045 6.140 ( -3.104 -5.066 4.422) 7.407 6.240 ( -8.778 -2.473 -1.482) 9.239 6.418 ( 9.029 -3.752 1.361) 9.872 6.586 ( -3.900 4.890 5.096) 8.068 6.619 ( -10.850 -0.376 -1.117) 10.914 6.734 ( 0.550 5.436 -8.028) 9.710 7.015 ( -3.665 2.423 2.573) 5.091 7.219 ( -15.112 -2.652 -10.022) 18.327 7.521 ( -9.074 -0.008 6.265) 11.027 7.639 ( 3.420 2.202 -8.984) 9.862 8.195 ( 2.225 -7.983 3.283) 8.914 8.257 ( -0.122 -8.212 1.079) 8.283 8.440 ( -1.092 -0.402 6.610) 6.712 8.558 ( 4.696 0.232 -5.878) 7.527 8.762 ( 4.855 2.227 4.561) 7.024 8.908 ( -1.863 -2.001 -1.733) 3.237 9.063 ( -6.433 1.005 8.533) 10.734 9.161 ( 5.162 2.615 -6.799) 8.928 9.521 ( -5.663 -7.982 3.888) 10.531 9.576 ( -10.544 -13.827 2.115) 17.516 10.188 ( -5.016 -14.600 9.309) 18.027 10.299 ( 8.177 -12.327 -6.126) 16.011 10.548 ( 6.165 -2.104 -0.878) 6.573 10.621 ( -1.956 -1.411 -0.985) 2.605 10.683 ( 6.368 2.561 1.186) 6.966 10.830 ( -6.970 6.476 -2.210) 9.767 10.967 ( 5.864 2.280 4.206) 7.568 11.138 ( -3.354 -2.181 0.563) 4.040 11.255 ( -3.539 0.584 -2.819) 4.562 11.434 ( -17.633 -4.069 -3.501) 18.432 11.931 ( 7.873 -1.734 1.455) 8.192 11.998 ( 2.402 0.914 -1.054) 2.778 12.062 ( -8.869 -0.988 0.361) 8.932 12.188 ( -11.487 -6.206 0.558) 13.068 12.698 ( -0.590 -0.300 1.139) 1.317 12.707 ( 1.110 0.776 -0.619) 1.489 13.607 ( 0.051 -2.367 1.101) 2.611 13.645 ( 3.318 -0.154 -3.502) 4.827 16.312 ( 11.642 -5.895 -6.792) 14.712 16.475 ( -32.818 -27.552 9.446) 43.879 17.696 ( 2.401 6.253 2.030) 6.999 17.762 ( -4.040 4.824 1.005) 6.372 17.925 ( 19.793 5.367 -2.497) 20.659 18.370 ( -27.339 12.524 -12.216) 32.457 19.336 ( 11.009 -4.558 5.024) 12.931 19.559 ( -11.294 -15.513 2.153) 19.309 19.708 ( -0.908 -5.755 -0.811) 5.883 19.717 ( 7.780 0.205 -2.475) 8.167 20.089 ( 11.664 5.134 4.248) 13.434 20.237 ( 1.612 -6.907 0.074) 7.093 20.406 ( -9.078 4.192 1.473) 10.107 20.646 ( -20.512 17.640 -13.255) 30.126 21.800 ( 0.946 -4.618 7.166) 8.577 21.910 ( -1.698 -1.806 -0.991) 2.670 22.395 ( -0.984 -2.350 1.014) 2.742 22.422 ( 2.469 1.262 -3.256) 4.276 22.779 ( 1.573 -1.142 7.051) 7.314 22.942 ( 1.870 0.862 -5.034) 5.439 23.131 ( 3.438 8.437 3.874) 9.900 23.362 ( 9.430 15.600 -14.170) 23.089 ======================= Grid point 138 (48/102) ======================= q-point: ( 0.09 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 13.610 0.000 15.205) 20.407 0.714 ( -2.460 -0.000 24.797) 24.919 0.867 ( 9.436 0.000 -16.210) 18.757 0.932 ( 15.063 0.000 -11.498) 18.950 0.996 ( 35.551 0.000 13.682) 38.093 1.538 ( 20.356 0.000 -22.330) 30.216 1.944 ( -0.590 -0.000 -7.114) 7.138 2.097 ( 7.637 0.000 10.534) 13.011 2.253 ( 4.493 0.000 5.443) 7.058 2.409 ( 9.869 0.000 -4.372) 10.794 2.745 ( 2.586 0.000 6.119) 6.643 2.775 ( -2.332 -0.000 3.562) 4.258 2.912 ( -4.818 -0.000 4.175) 6.375 2.967 ( -7.430 -0.000 -1.516) 7.583 3.182 ( 0.121 0.000 5.757) 5.758 3.242 ( 1.212 0.000 -1.707) 2.094 3.344 ( -1.831 -0.000 -5.578) 5.871 3.427 ( 1.606 0.000 -2.595) 3.052 3.517 ( 4.050 0.000 1.903) 4.475 3.544 ( 4.631 0.000 -4.319) 6.332 3.629 ( -1.526 -0.000 4.909) 5.140 3.821 ( -6.199 -0.000 1.443) 6.365 3.910 ( 3.401 0.000 -3.829) 5.122 3.940 ( -1.515 -0.000 2.141) 2.623 4.166 ( 0.544 0.000 3.716) 3.755 4.363 ( 11.467 0.000 -11.461) 16.213 4.542 ( -4.704 -0.000 6.785) 8.256 4.572 ( -9.501 -0.000 4.118) 10.355 4.693 ( -4.348 -0.000 -4.187) 6.036 4.776 ( 2.880 0.000 -2.926) 4.105 4.793 ( 3.148 0.000 0.939) 3.285 4.843 ( -6.096 -0.000 3.773) 7.169 5.015 ( 0.746 0.000 3.083) 3.172 5.129 ( -2.494 -0.000 3.034) 3.928 5.131 ( -3.352 -0.000 1.822) 3.815 5.291 ( -5.061 -0.000 -3.007) 5.887 5.460 ( -3.881 -0.000 4.141) 5.676 5.517 ( -11.260 -0.000 -2.578) 11.551 5.561 ( -3.797 -0.000 3.340) 5.057 5.566 ( 14.168 0.000 -11.418) 18.196 5.908 ( -0.618 -0.000 3.934) 3.982 5.908 ( -0.398 -0.000 -3.700) 3.721 6.272 ( 3.926 0.000 -2.042) 4.426 6.317 ( -3.708 -0.000 3.059) 4.807 6.493 ( 4.710 0.000 4.123) 6.259 6.502 ( 1.490 0.000 -1.315) 1.987 6.651 ( 8.601 0.000 -2.187) 8.875 6.700 ( 14.176 0.000 -5.273) 15.125 7.088 ( 4.036 0.000 10.857) 11.583 7.305 ( 26.096 0.000 -13.320) 29.299 7.456 ( 2.418 0.000 3.426) 4.193 7.699 ( 5.969 0.000 -5.122) 7.865 8.196 ( -12.771 -0.000 4.538) 13.553 8.354 ( 3.114 0.000 1.934) 3.666 8.521 ( 5.763 0.000 -11.053) 12.466 8.650 ( 5.048 0.000 -3.524) 6.157 8.807 ( -9.080 -0.000 6.476) 11.153 8.831 ( -5.371 -0.000 -5.099) 7.406 9.091 ( 15.944 0.000 -7.686) 17.700 9.290 ( 10.229 0.000 -9.150) 13.724 9.374 ( -21.067 -0.000 21.457) 30.070 9.546 ( -2.256 -0.000 11.194) 11.419 10.191 ( -10.011 -0.000 3.451) 10.589 10.464 ( -6.903 -0.000 3.878) 7.918 10.484 ( -10.668 -0.000 -2.170) 10.886 10.580 ( -9.661 -0.000 0.205) 9.663 10.709 ( 5.183 0.000 1.146) 5.308 10.713 ( 3.814 0.000 0.981) 3.938 10.853 ( 0.440 0.000 4.071) 4.095 11.177 ( 4.889 0.000 2.248) 5.381 11.225 ( 6.139 0.000 3.273) 6.957 11.488 ( 16.012 0.000 7.155) 17.538 11.946 ( -3.617 -0.000 0.683) 3.680 11.953 ( -8.679 -0.000 -2.536) 9.042 12.188 ( 19.192 0.000 0.273) 19.194 12.505 ( 15.733 0.000 -10.961) 19.175 12.678 ( -0.673 -0.000 0.261) 0.722 12.740 ( 6.152 0.000 -2.120) 6.508 13.606 ( -1.894 -0.000 -0.116) 1.897 13.612 ( -2.641 -0.000 0.144) 2.645 16.070 ( -7.022 -0.000 8.814) 11.270 16.811 ( 7.802 0.000 17.355) 19.028 17.626 ( -0.555 -0.000 -0.170) 0.580 17.676 ( 1.911 0.000 -1.483) 2.419 18.018 ( 10.753 0.000 -2.535) 11.048 18.224 ( 14.737 0.000 -7.529) 16.549 19.388 ( -14.397 -0.000 -2.602) 14.630 19.478 ( -18.970 -0.000 -0.930) 18.993 19.813 ( 5.370 0.000 -0.399) 5.385 20.021 ( 2.586 0.000 1.747) 3.121 20.155 ( 27.989 0.000 -16.355) 32.417 20.205 ( -0.982 -0.000 3.820) 3.944 20.432 ( 17.271 0.000 3.787) 17.681 20.432 ( 12.651 0.000 1.322) 12.720 21.931 ( 0.315 0.000 0.243) 0.398 21.941 ( 1.878 0.000 -0.263) 1.896 22.395 ( 0.474 0.000 1.419) 1.496 22.420 ( 0.331 0.000 -2.317) 2.340 22.724 ( -21.016 -0.000 8.639) 22.722 22.899 ( -3.382 -0.000 2.425) 4.161 22.966 ( -3.725 -0.000 2.289) 4.372 23.028 ( -5.035 -0.000 -1.155) 5.166 ======================= Grid point 139 (49/102) ======================= q-point: ( 0.18 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 14.160 -0.931 10.727) 17.789 0.979 ( 14.862 -3.960 -11.774) 19.370 1.033 ( 6.761 -17.153 8.353) 20.242 1.091 ( 14.751 -6.838 -5.127) 17.048 1.412 ( 32.090 -12.989 9.061) 35.785 1.686 ( 18.919 -4.546 -9.954) 21.856 1.972 ( 9.633 -0.530 -7.357) 12.133 2.190 ( 8.876 -2.452 4.843) 10.404 2.334 ( 4.521 -2.903 4.112) 6.766 2.507 ( 3.627 -3.047 -0.406) 4.754 2.679 ( 0.463 2.902 0.357) 2.961 2.803 ( -2.950 0.983 1.740) 3.563 2.852 ( 5.127 -0.324 0.456) 5.158 2.937 ( -1.643 -0.524 -0.167) 1.733 3.127 ( -4.243 2.576 -0.373) 4.978 3.275 ( 4.389 0.602 -1.171) 4.582 3.371 ( -3.834 -1.616 0.093) 4.162 3.432 ( -1.696 -0.486 0.051) 1.765 3.506 ( 3.300 -1.358 -4.380) 5.649 3.602 ( -2.594 -1.041 3.344) 4.358 3.698 ( 1.182 -2.505 -0.349) 2.792 3.785 ( -7.494 -2.300 1.200) 7.931 3.882 ( 1.495 2.861 -2.051) 3.825 3.924 ( -1.971 2.387 0.192) 3.101 4.180 ( 0.699 -0.570 2.058) 2.247 4.333 ( 2.743 5.668 -5.166) 8.145 4.487 ( -8.949 2.747 4.099) 10.219 4.500 ( -5.640 2.325 2.070) 6.442 4.599 ( -2.983 2.418 -0.480) 3.870 4.715 ( -6.361 4.921 1.731) 8.227 4.810 ( 2.330 2.390 -0.113) 3.340 4.877 ( 5.164 -3.172 -2.611) 6.599 4.986 ( -1.151 3.357 -0.741) 3.626 5.133 ( -0.163 -2.447 1.978) 3.151 5.187 ( -2.154 -4.767 0.744) 5.284 5.288 ( -7.594 -4.354 1.045) 8.816 5.400 ( -11.464 2.153 -0.523) 11.676 5.451 ( -5.982 -1.279 2.543) 6.625 5.559 ( -6.565 -3.510 2.291) 7.789 5.631 ( 10.239 1.269 -9.793) 14.226 5.899 ( 1.275 -0.914 -1.380) 2.089 5.939 ( -1.913 -3.190 0.993) 3.850 6.218 ( 1.418 4.358 4.203) 6.218 6.281 ( -6.298 1.018 -2.510) 6.856 6.460 ( 10.044 3.789 -0.657) 10.755 6.589 ( 5.195 -1.126 2.840) 6.026 6.741 ( 8.825 -2.808 -1.014) 9.317 6.893 ( 14.081 -6.614 -8.713) 17.831 7.135 ( 2.269 0.128 10.637) 10.877 7.375 ( 17.562 6.241 -9.603) 20.967 7.518 ( 9.423 -0.573 0.170) 9.442 7.730 ( 4.764 0.075 -3.870) 6.138 8.104 ( -9.095 1.364 3.327) 9.780 8.290 ( 3.147 8.057 1.444) 8.769 8.439 ( -0.558 9.774 -2.195) 10.033 8.614 ( -7.229 7.174 -1.509) 10.296 8.741 ( 0.274 -5.828 -3.652) 6.883 8.861 ( -4.136 -4.090 0.673) 5.855 9.139 ( 11.803 5.991 -2.770) 13.523 9.250 ( -5.586 0.647 16.986) 17.893 9.383 ( 8.698 -0.877 -5.848) 10.518 9.493 ( -0.668 6.537 7.567) 10.022 10.077 ( 0.549 5.095 0.658) 5.166 10.325 ( -9.244 6.222 -1.698) 11.272 10.512 ( -7.386 -1.388 1.788) 7.725 10.521 ( -7.327 -3.846 -3.534) 8.998 10.639 ( 1.740 3.616 1.053) 4.149 10.820 ( 1.405 -1.780 4.462) 5.005 10.944 ( 2.400 -6.890 0.491) 7.313 11.235 ( 6.877 0.441 -0.537) 6.912 11.275 ( 6.320 -0.440 3.647) 7.311 11.553 ( 3.607 2.050 1.803) 4.523 11.871 ( -4.484 1.544 -1.148) 4.879 11.935 ( -4.789 -1.561 -0.362) 5.050 12.283 ( 20.568 7.576 2.081) 22.018 12.453 ( 13.276 10.428 -4.169) 17.389 12.681 ( -0.170 0.407 0.590) 0.737 12.735 ( 3.592 3.517 -1.002) 5.126 13.572 ( -3.100 1.375 -0.571) 3.439 13.603 ( -3.775 0.751 -0.903) 3.954 16.065 ( 0.656 0.237 3.604) 3.671 16.695 ( -1.119 14.899 7.854) 16.879 17.639 ( -2.673 -3.285 -0.157) 4.238 17.768 ( 5.057 -5.311 0.384) 7.343 17.908 ( 7.715 4.179 -1.714) 8.940 18.609 ( 13.629 -11.959 -0.584) 18.141 19.224 ( -11.191 3.507 -1.168) 11.786 19.502 ( -16.097 -11.049 -0.609) 19.533 19.735 ( 6.041 13.534 0.298) 14.825 19.825 ( 3.504 15.073 -3.427) 15.850 20.070 ( -1.675 6.658 -0.524) 6.885 20.261 ( 10.506 7.520 -5.059) 13.875 20.576 ( 14.743 -2.287 0.858) 14.944 20.778 ( 18.286 -16.238 2.987) 24.637 21.862 ( 0.289 2.959 -0.135) 2.976 21.925 ( 3.361 2.318 1.536) 4.362 22.361 ( -1.528 3.785 -0.081) 4.083 22.460 ( 1.768 -1.848 -3.152) 4.059 22.707 ( -10.899 -5.149 7.602) 14.251 22.860 ( -3.790 -2.579 -3.432) 5.727 23.078 ( -9.542 -12.568 -1.051) 15.815 23.097 ( -9.082 -10.089 2.644) 13.830 ======================= Grid point 140 (50/102) ======================= q-point: ( 0.27 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 17.573 -7.154 -0.631) 18.984 1.106 ( 14.240 -1.826 -7.698) 16.290 1.272 ( 11.792 -7.708 -8.014) 16.208 1.456 ( 5.818 -18.341 14.423) 24.047 1.833 ( 12.900 -11.003 2.906) 17.203 1.942 ( 14.987 -5.269 3.448) 16.256 2.047 ( 13.402 -5.457 -3.137) 14.807 2.289 ( 4.237 -0.158 4.346) 6.071 2.428 ( 5.620 -3.356 5.137) 8.321 2.566 ( 6.482 -7.517 -11.755) 15.385 2.715 ( 3.527 2.427 -4.879) 6.491 2.821 ( 7.861 -3.990 -2.310) 9.113 2.919 ( 1.541 -1.230 -0.922) 2.177 2.953 ( -2.657 -3.991 5.325) 7.165 3.107 ( 1.193 -1.411 -0.732) 1.987 3.233 ( -4.322 2.602 0.548) 5.075 3.332 ( -1.939 1.915 0.450) 2.762 3.408 ( -3.920 2.688 1.776) 5.074 3.559 ( -2.368 -4.134 -1.077) 4.884 3.605 ( 2.085 1.033 -2.216) 3.213 3.677 ( -3.971 0.737 1.866) 4.449 3.764 ( -2.400 1.435 -0.326) 2.815 3.826 ( -3.744 4.833 -0.425) 6.128 3.868 ( -2.644 -0.943 -1.200) 3.053 4.143 ( -4.050 4.159 0.103) 5.806 4.236 ( -1.842 4.853 1.283) 5.347 4.380 ( 0.179 6.783 0.395) 6.797 4.425 ( -8.180 -0.858 -0.259) 8.229 4.579 ( -2.937 -0.499 2.448) 3.856 4.631 ( -3.305 -1.388 3.269) 4.851 4.777 ( 3.723 3.929 -2.815) 6.101 4.866 ( -4.395 1.924 -1.730) 5.100 4.993 ( 4.919 -2.439 -2.989) 6.252 5.151 ( -1.490 1.706 2.045) 3.051 5.214 ( -7.160 -1.547 5.715) 9.290 5.276 ( -6.541 2.413 -2.258) 7.328 5.328 ( -6.336 -5.464 -0.286) 8.371 5.461 ( -3.485 -3.185 2.327) 5.263 5.584 ( -5.403 -3.815 -0.436) 6.629 5.643 ( 3.143 0.671 -3.310) 4.613 5.952 ( 1.536 -2.775 -2.558) 4.075 6.001 ( 2.225 -4.168 1.110) 4.854 6.183 ( -4.624 0.776 2.626) 5.374 6.211 ( 2.771 2.607 -1.425) 4.062 6.477 ( 10.897 3.318 -1.101) 11.444 6.662 ( 7.578 -1.292 1.265) 7.791 6.822 ( 3.368 -1.100 0.668) 3.605 7.039 ( 13.564 0.110 -8.987) 16.272 7.158 ( 0.249 0.398 7.739) 7.753 7.298 ( 14.923 13.390 -6.782) 21.166 7.606 ( 3.872 -2.367 1.701) 4.847 7.751 ( 2.491 -0.469 -1.622) 3.009 8.041 ( -4.295 1.143 2.864) 5.288 8.172 ( 5.034 8.614 1.831) 10.144 8.273 ( -0.759 5.877 -1.188) 6.044 8.452 ( -6.771 5.470 -1.582) 8.847 8.789 ( -3.040 -1.916 -4.346) 5.639 8.915 ( -2.025 -3.239 0.559) 3.861 9.060 ( -0.941 7.360 8.628) 11.379 9.252 ( 0.767 3.420 7.193) 8.001 9.367 ( -4.572 4.973 4.844) 8.312 9.456 ( 11.587 -1.045 -8.824) 14.602 10.034 ( 4.014 2.077 -1.986) 4.937 10.173 ( -3.530 3.527 -0.849) 5.062 10.477 ( -7.274 -2.105 -4.730) 8.928 10.549 ( -5.244 -3.835 3.670) 7.461 10.607 ( 3.890 2.526 0.330) 4.650 10.856 ( -1.212 -1.325 4.562) 4.903 11.064 ( 4.912 -3.230 0.017) 5.878 11.246 ( 7.733 3.829 0.143) 8.630 11.328 ( 3.975 0.689 0.584) 4.076 11.501 ( 1.918 4.845 -2.386) 5.731 11.830 ( -2.805 0.874 0.241) 2.947 11.927 ( -3.779 -1.240 -0.392) 3.996 12.242 ( 13.096 9.562 0.500) 16.223 12.379 ( 16.646 10.919 -0.484) 19.913 12.664 ( -1.017 0.336 1.288) 1.675 12.707 ( -1.377 -0.193 -0.795) 1.602 13.502 ( -3.182 5.378 0.431) 6.264 13.514 ( -5.580 3.317 -1.445) 6.650 16.070 ( 0.329 0.392 1.944) 2.010 16.444 ( -2.139 11.374 0.437) 11.581 17.686 ( -4.091 -4.567 -0.339) 6.141 17.902 ( 5.998 -5.349 0.534) 8.054 17.990 ( 5.698 -5.485 -0.425) 7.921 18.748 ( 6.555 2.321 2.829) 7.508 19.069 ( -9.952 6.026 -1.289) 11.706 19.452 ( 5.012 14.239 -0.469) 15.103 19.584 ( -4.019 0.538 0.866) 4.146 19.604 ( 2.709 12.349 -0.930) 12.677 19.942 ( -10.866 2.027 -0.518) 11.065 20.180 ( 6.254 6.580 -4.033) 9.933 20.720 ( 14.544 -1.884 0.552) 14.676 21.159 ( 11.631 -13.366 3.552) 18.071 21.856 ( 0.433 -1.566 -2.940) 3.359 21.961 ( 4.582 -2.430 2.026) 5.568 22.262 ( -3.141 5.044 0.531) 5.966 22.458 ( 1.508 2.712 -5.139) 6.003 22.730 ( -5.897 -3.489 9.182) 11.457 22.915 ( -1.488 -5.664 -5.965) 8.359 23.184 ( -9.283 -6.992 4.120) 12.331 23.207 ( -10.686 -9.750 -2.634) 14.704 ======================= Grid point 141 (51/102) ======================= q-point: ( 0.36 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 14.560 -4.744 -5.757) 16.360 1.288 ( 9.306 -7.630 1.756) 12.162 1.473 ( 8.103 -8.778 -1.251) 12.012 1.788 ( 5.711 -8.679 10.030) 14.441 1.993 ( 0.790 -6.130 -1.210) 6.298 2.051 ( 6.890 -6.408 -1.146) 9.479 2.333 ( 6.824 -4.254 1.713) 8.222 2.406 ( 10.812 -7.226 -3.132) 13.376 2.495 ( 6.120 -2.352 1.739) 6.784 2.654 ( 5.446 5.028 -1.425) 7.548 2.779 ( 5.962 -5.339 -4.518) 9.190 2.883 ( -5.384 -0.433 3.280) 6.320 2.932 ( 3.760 -0.989 -4.358) 5.840 3.058 ( 2.627 -5.086 1.372) 5.886 3.110 ( 1.217 -0.873 -1.251) 1.951 3.235 ( -0.748 -3.753 0.846) 3.919 3.287 ( -3.181 1.074 -0.186) 3.362 3.339 ( -3.213 0.708 3.096) 4.518 3.497 ( 1.951 7.584 -2.541) 8.233 3.635 ( -3.693 -3.685 1.179) 5.349 3.677 ( -2.768 4.338 0.564) 5.177 3.690 ( -1.412 -1.666 0.458) 2.231 3.774 ( 1.036 0.221 -4.413) 4.539 3.845 ( -5.460 -0.877 -0.586) 5.561 4.067 ( -3.726 0.211 1.905) 4.190 4.128 ( -4.908 5.126 4.298) 8.297 4.246 ( -1.862 5.919 1.091) 6.300 4.411 ( -3.962 -1.054 -1.202) 4.272 4.533 ( -3.966 2.369 1.751) 4.940 4.706 ( 3.019 -3.199 -2.875) 5.254 4.726 ( 0.639 0.544 -5.460) 5.524 4.827 ( -5.393 -1.092 3.232) 6.382 5.050 ( -2.446 -1.516 -1.510) 3.250 5.096 ( -2.669 1.393 1.070) 3.195 5.188 ( -2.055 0.398 4.825) 5.260 5.223 ( -3.906 -1.346 -0.621) 4.178 5.372 ( -2.697 -2.784 -2.561) 4.645 5.510 ( -1.256 -3.291 3.068) 4.671 5.615 ( -3.758 -3.437 0.293) 5.101 5.656 ( 1.394 -1.119 -0.874) 1.989 5.952 ( -2.258 2.155 -1.711) 3.559 6.114 ( 1.534 -3.506 1.037) 3.965 6.159 ( 0.962 -3.136 -0.937) 3.411 6.239 ( 6.497 -0.730 1.483) 6.704 6.493 ( 11.517 3.814 -1.868) 12.275 6.735 ( 4.624 -0.807 1.876) 5.055 6.834 ( 1.658 2.090 1.132) 2.898 7.019 ( 12.341 10.646 -11.187) 19.768 7.128 ( 0.396 5.662 5.140) 7.657 7.200 ( 5.244 2.573 0.490) 5.862 7.626 ( -1.787 0.453 -0.225) 1.857 7.777 ( -0.302 -0.697 2.020) 2.158 7.992 ( -4.876 1.473 1.593) 5.337 8.078 ( 10.086 9.072 -0.414) 13.572 8.183 ( 0.186 4.764 -3.293) 5.794 8.374 ( -0.357 -1.633 -1.519) 2.259 8.754 ( -4.301 2.579 -0.727) 5.067 8.906 ( -2.132 3.680 -0.622) 4.298 8.933 ( -7.694 4.325 8.907) 12.540 9.128 ( -4.116 5.166 -0.358) 6.615 9.341 ( -0.928 -0.457 7.228) 7.302 9.543 ( 11.221 -0.759 -9.282) 14.582 10.021 ( 1.670 1.930 -0.457) 2.593 10.173 ( 1.255 -4.049 0.035) 4.239 10.473 ( -3.497 -3.285 -4.936) 6.883 10.598 ( 1.150 -0.383 0.930) 1.528 10.603 ( -1.456 -2.828 3.341) 4.613 10.870 ( -3.271 -1.300 3.112) 4.699 11.118 ( 6.803 2.731 -0.405) 7.342 11.218 ( 6.320 4.999 0.227) 8.061 11.303 ( 0.677 2.714 0.095) 2.799 11.421 ( 6.811 7.964 -1.771) 10.628 11.780 ( -3.131 2.287 -0.651) 3.932 11.917 ( -1.732 0.501 0.224) 1.817 12.185 ( 7.132 4.844 0.437) 8.632 12.293 ( 12.104 10.192 -0.117) 15.824 12.685 ( -0.993 -3.194 0.686) 3.415 12.725 ( -0.478 -2.977 -0.355) 3.036 13.338 ( -5.235 8.318 -0.306) 9.833 13.422 ( -4.289 3.522 -0.287) 5.558 16.064 ( -0.948 0.259 1.148) 1.512 16.276 ( -2.454 6.145 -0.703) 6.654 17.737 ( -2.171 -4.014 -0.397) 4.580 18.038 ( 3.640 -5.228 0.981) 6.445 18.132 ( 3.367 -6.707 -0.803) 7.547 18.709 ( 1.936 4.895 2.576) 5.860 18.857 ( -4.773 10.615 -1.613) 11.750 19.281 ( 3.691 8.135 -0.490) 8.947 19.421 ( 4.089 9.816 -0.302) 10.638 19.525 ( -1.995 4.531 0.968) 5.045 19.822 ( -3.784 5.892 0.450) 7.017 20.118 ( -5.983 -0.113 -2.403) 6.448 20.859 ( 13.782 -1.995 0.165) 13.926 21.433 ( 6.579 -9.581 2.541) 11.897 21.898 ( 0.147 -3.304 -2.465) 4.125 22.039 ( 3.289 -0.717 1.072) 3.532 22.159 ( -3.163 3.282 1.690) 4.861 22.380 ( 0.079 4.750 -5.346) 7.152 22.792 ( -2.490 -4.634 7.700) 9.325 22.988 ( -0.216 -4.294 -5.395) 6.898 23.223 ( -7.029 -3.793 2.588) 8.396 23.269 ( -8.364 -6.140 -1.394) 10.469 ======================= Grid point 143 (52/102) ======================= q-point: ( 0.45 0.09 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 8.065 -4.607 -0.906) 9.332 1.436 ( 1.756 -5.896 3.959) 7.315 1.705 ( 7.033 -8.195 -0.986) 10.844 1.920 ( 8.765 -4.086 0.053) 9.670 2.135 ( -3.357 -3.656 -0.336) 4.974 2.198 ( 9.578 -4.217 -5.273) 11.718 2.365 ( 5.271 5.380 0.382) 7.541 2.450 ( -4.698 -4.454 3.538) 7.377 2.586 ( -2.699 2.352 -1.068) 3.736 2.715 ( 8.667 -5.688 -0.419) 10.375 2.784 ( -1.091 0.283 -0.340) 1.177 2.830 ( -2.963 1.278 2.322) 3.975 2.972 ( 3.944 -0.381 -1.935) 4.410 3.121 ( 0.104 0.062 3.248) 3.250 3.191 ( -0.269 -2.179 -3.151) 3.840 3.246 ( -3.815 -2.633 2.478) 5.256 3.304 ( 1.595 3.656 0.333) 4.003 3.369 ( 4.781 -6.706 -0.684) 8.265 3.437 ( 3.985 -0.177 -3.604) 5.375 3.566 ( -5.087 6.461 2.628) 8.633 3.613 ( -0.414 0.945 -1.348) 1.697 3.732 ( 1.462 2.686 -1.531) 3.420 3.760 ( -4.498 -4.082 0.200) 6.077 3.856 ( 0.323 -2.599 -0.435) 2.655 4.010 ( -7.419 2.244 1.678) 7.931 4.087 ( -1.783 -2.846 2.342) 4.094 4.170 ( 0.261 2.750 1.630) 3.208 4.388 ( -6.285 -0.831 1.245) 6.460 4.500 ( -0.458 -1.499 -2.715) 3.135 4.714 ( -0.933 -1.244 -5.749) 5.956 4.753 ( 1.247 0.347 -1.541) 2.013 4.817 ( -5.630 -1.578 2.360) 6.305 5.034 ( -4.161 1.878 1.565) 4.826 5.071 ( 0.537 -2.777 2.995) 4.119 5.206 ( 2.236 -0.121 -0.649) 2.331 5.256 ( -1.643 -3.614 0.440) 3.994 5.376 ( -1.837 -1.196 -1.970) 2.947 5.562 ( 1.390 -1.720 1.036) 2.442 5.648 ( -3.038 -2.857 1.802) 4.543 5.694 ( 0.697 -1.552 1.231) 2.100 5.866 ( -1.275 4.491 -1.976) 5.069 6.152 ( -0.294 -2.015 -1.891) 2.779 6.250 ( -0.306 -3.626 4.040) 5.437 6.326 ( 8.469 -1.724 -0.644) 8.666 6.504 ( 10.405 3.491 -2.620) 11.283 6.713 ( 0.608 7.742 3.495) 8.516 6.783 ( 2.010 3.733 -2.769) 5.064 6.901 ( 3.517 5.577 -3.981) 7.702 7.049 ( -1.776 2.997 2.641) 4.372 7.203 ( 2.146 1.267 0.061) 2.493 7.595 ( -3.808 0.205 -0.762) 3.889 7.757 ( -5.166 0.866 2.925) 6.000 7.940 ( -3.442 1.235 0.325) 3.671 7.979 ( 4.827 6.741 -2.580) 8.683 8.124 ( 7.136 4.684 -1.076) 8.604 8.457 ( 5.275 -4.746 -3.728) 8.015 8.610 ( -6.312 9.243 3.653) 11.773 8.798 ( -1.924 2.843 0.668) 3.497 8.860 ( -4.260 0.676 -0.426) 4.334 9.087 ( -6.653 -2.917 6.138) 9.510 9.357 ( 3.401 1.161 3.405) 4.951 9.588 ( 8.175 1.853 -8.418) 11.880 10.003 ( 1.101 0.746 0.405) 1.390 10.286 ( 1.104 -6.383 0.267) 6.483 10.513 ( -2.585 -4.253 -3.073) 5.849 10.590 ( 2.132 1.501 -0.436) 2.644 10.684 ( -3.289 -5.992 4.058) 7.950 10.867 ( -4.229 -0.930 0.265) 4.338 11.065 ( 4.255 6.068 -0.170) 7.413 11.167 ( 3.811 5.195 0.626) 6.474 11.274 ( 4.269 5.755 2.757) 7.678 11.303 ( 8.255 8.336 -3.767) 12.322 11.714 ( -2.135 2.305 -1.035) 3.308 11.879 ( -1.636 2.343 0.809) 2.969 12.178 ( 3.762 1.058 0.522) 3.942 12.216 ( 5.841 5.669 -0.298) 8.145 12.749 ( -0.488 -4.269 -0.271) 4.306 12.806 ( 2.316 -5.163 0.574) 5.688 13.150 ( -4.991 8.347 -0.338) 9.731 13.330 ( -3.978 3.145 -0.182) 5.075 16.055 ( -1.847 -0.259 0.722) 1.999 16.177 ( -2.262 3.111 -0.601) 3.893 17.793 ( -0.005 -3.218 -0.281) 3.231 18.130 ( -1.015 -4.049 1.962) 4.612 18.261 ( 1.898 -5.426 -2.346) 6.208 18.621 ( -5.929 5.234 1.132) 7.990 18.687 ( 7.106 6.724 0.288) 9.787 19.193 ( 1.943 4.984 -3.042) 6.154 19.307 ( 5.531 7.585 3.076) 9.879 19.439 ( -2.093 2.333 -1.130) 3.331 19.687 ( 0.174 7.699 0.942) 7.758 20.080 ( -11.693 -3.212 -0.720) 12.147 20.985 ( 13.022 -0.798 -0.067) 13.047 21.610 ( 2.465 -6.408 1.583) 7.046 21.953 ( -0.686 -3.571 -2.071) 4.185 21.991 ( -1.481 4.789 -0.099) 5.014 22.136 ( -0.127 0.785 3.737) 3.820 22.298 ( 0.326 2.884 -4.788) 5.599 22.876 ( -0.237 -4.353 4.519) 6.279 23.033 ( -0.549 -1.860 -2.679) 3.307 23.240 ( -3.330 -2.403 0.083) 4.107 23.308 ( -5.331 -4.256 -0.023) 6.822 ======================= Grid point 144 (53/102) ======================= q-point: ( 0.55 0.09 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 1.032 -3.950 6.033) 7.284 1.571 ( 2.269 -5.949 -1.482) 6.537 1.759 ( 4.474 5.091 -6.046) 9.083 2.032 ( -5.040 8.126 1.654) 9.704 2.113 ( 9.498 -4.123 -1.570) 10.473 2.219 ( -0.305 0.936 -0.026) 0.985 2.301 ( 1.937 7.988 -1.373) 8.333 2.500 ( -5.956 -4.445 4.825) 8.861 2.569 ( -0.732 -2.637 -2.647) 3.808 2.724 ( -5.000 -0.291 2.076) 5.421 2.824 ( 0.223 -5.400 -2.120) 5.806 2.918 ( 6.102 0.072 -0.117) 6.104 3.006 ( 2.473 -4.010 -0.336) 4.723 3.106 ( -0.415 1.708 0.781) 1.923 3.167 ( 1.910 4.570 -1.481) 5.170 3.197 ( -3.530 6.166 0.555) 7.126 3.263 ( -2.361 -0.951 3.659) 4.457 3.392 ( -4.679 2.097 3.566) 6.245 3.506 ( 2.727 -2.953 -3.441) 5.291 3.544 ( 4.485 -3.677 -4.489) 7.334 3.589 ( -2.978 2.696 3.689) 5.453 3.684 ( 1.455 2.296 -2.995) 4.045 3.778 ( 2.195 -1.575 -0.131) 2.705 3.926 ( -5.365 -3.407 0.019) 6.355 3.969 ( -1.358 -2.539 1.850) 3.422 4.121 ( -1.067 0.692 0.162) 1.282 4.155 ( 1.812 -1.853 -2.774) 3.796 4.365 ( -4.953 -1.296 4.023) 6.511 4.548 ( -0.139 -3.365 -0.781) 3.457 4.707 ( -0.013 0.636 -0.804) 1.025 4.724 ( -5.429 0.104 -1.598) 5.660 4.842 ( 0.063 -3.080 -0.747) 3.170 4.998 ( 0.988 0.394 0.460) 1.159 5.151 ( 6.701 -0.696 4.498) 8.100 5.193 ( -3.810 0.508 -1.221) 4.033 5.291 ( 6.092 0.060 -0.997) 6.174 5.437 ( -3.650 -7.748 -0.985) 8.621 5.574 ( -1.557 0.300 -1.779) 2.383 5.678 ( -3.004 -0.649 2.397) 3.897 5.715 ( 3.615 -0.025 4.479) 5.756 5.784 ( 1.591 4.213 -3.393) 5.638 6.172 ( -0.206 -0.652 -1.057) 1.259 6.274 ( -5.538 -1.170 -0.019) 5.660 6.384 ( 3.679 1.271 0.490) 3.923 6.465 ( 1.076 7.831 0.680) 7.934 6.573 ( 0.979 6.001 -1.216) 6.200 6.736 ( 1.413 0.951 -1.664) 2.381 6.845 ( -0.615 1.997 1.354) 2.490 7.019 ( -5.180 -1.660 1.344) 5.603 7.165 ( -0.185 3.997 -1.562) 4.295 7.578 ( -2.912 -1.658 -0.641) 3.411 7.729 ( -2.853 -1.866 1.646) 3.786 7.884 ( -3.686 3.998 -1.883) 5.755 7.909 ( 0.249 1.359 0.194) 1.395 8.124 ( 7.869 0.742 -3.171) 8.516 8.376 ( -9.288 7.726 6.004) 13.491 8.625 ( 12.042 -4.820 -4.177) 13.627 8.788 ( 3.048 -0.392 -2.927) 4.244 8.845 ( -1.898 -1.395 2.766) 3.633 9.119 ( -6.456 -3.749 8.978) 11.677 9.363 ( 5.315 2.141 0.168) 5.732 9.565 ( 3.994 3.533 -7.153) 8.922 10.019 ( 3.443 -0.406 -0.622) 3.523 10.370 ( -2.183 -2.386 1.347) 3.503 10.544 ( -6.450 -2.645 0.710) 7.007 10.583 ( 2.323 1.100 -1.898) 3.196 10.761 ( -3.827 -4.062 1.909) 5.899 10.847 ( -2.410 -1.120 -0.958) 2.825 11.023 ( 0.948 0.739 1.726) 2.103 11.090 ( 2.374 6.426 -1.329) 6.978 11.160 ( 9.679 7.794 -1.279) 12.493 11.270 ( 4.167 3.638 1.103) 5.640 11.679 ( -0.141 0.195 -1.005) 1.033 11.830 ( -2.792 1.181 1.174) 3.251 12.171 ( 2.337 2.935 -0.027) 3.752 12.187 ( 1.499 0.787 -0.111) 1.697 12.810 ( 0.123 -2.088 -0.163) 2.098 12.930 ( 2.717 -6.255 0.734) 6.859 12.981 ( -3.178 6.805 -0.293) 7.516 13.271 ( -2.876 -0.060 -0.413) 2.906 16.053 ( -2.533 -1.110 1.065) 2.964 16.125 ( -1.489 1.197 -1.012) 2.162 17.846 ( 2.212 -1.810 -0.129) 2.861 18.193 ( -3.954 -5.036 3.137) 7.130 18.313 ( 0.526 -0.280 -5.177) 5.211 18.506 ( -0.309 5.064 0.842) 5.143 18.684 ( 3.857 -0.440 3.299) 5.095 19.084 ( 0.820 6.851 -5.118) 8.591 19.264 ( 3.780 2.371 3.783) 5.850 19.423 ( 2.488 -0.127 -0.919) 2.656 19.577 ( -1.921 3.315 0.412) 3.853 20.059 ( -12.416 -4.587 -0.014) 13.236 21.064 ( 12.481 2.749 -0.079) 12.780 21.690 ( -2.289 -1.219 0.931) 2.756 21.915 ( -0.816 1.315 0.054) 1.549 22.004 ( -1.307 -3.493 -2.063) 4.262 22.116 ( 0.749 1.840 2.339) 3.068 22.257 ( 0.060 1.657 -2.180) 2.739 22.951 ( 0.928 -2.830 1.031) 3.151 23.031 ( -1.577 0.693 0.675) 1.850 23.268 ( 0.092 -2.217 -0.703) 2.327 23.345 ( -1.939 -3.129 -0.096) 3.682 ======================= Grid point 145 (54/102) ======================= q-point: (-0.36 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -2.548 -2.017 8.766) 9.349 1.553 ( 2.510 13.773 -1.464) 14.076 1.667 ( -0.415 2.320 -6.078) 6.519 1.811 ( -3.233 9.766 -0.901) 10.327 2.095 ( -3.337 6.585 2.675) 7.852 2.183 ( -0.429 3.555 -7.030) 7.890 2.240 ( 1.912 1.026 2.456) 3.277 2.515 ( -6.625 0.584 1.502) 6.819 2.605 ( -0.187 -2.301 -3.834) 4.475 2.697 ( -7.963 0.069 2.151) 8.248 2.837 ( -1.106 8.943 5.902) 10.772 2.907 ( 1.874 1.871 1.672) 3.132 3.000 ( 6.949 -0.203 -5.872) 9.100 3.076 ( -1.365 -0.249 -2.373) 2.749 3.173 ( -1.663 -4.052 1.488) 4.626 3.203 ( 0.870 -2.449 -1.372) 2.939 3.263 ( -1.887 -1.334 3.968) 4.592 3.364 ( -1.580 0.878 0.838) 1.993 3.477 ( -1.033 4.703 0.785) 4.878 3.538 ( 2.864 -0.152 -2.626) 3.889 3.627 ( 2.652 -1.270 -2.612) 3.933 3.670 ( -0.516 -2.054 1.066) 2.371 3.856 ( 0.811 -2.713 1.021) 3.010 3.902 ( 0.685 0.463 1.956) 2.123 4.038 ( -0.467 -3.366 -1.474) 3.704 4.062 ( -3.599 2.855 2.193) 5.090 4.216 ( 3.319 -3.162 -6.446) 7.909 4.392 ( -2.987 -3.915 2.344) 5.453 4.578 ( 1.800 1.566 3.027) 3.854 4.684 ( -2.515 -0.076 -1.625) 2.995 4.713 ( -0.771 -1.845 0.231) 2.013 4.885 ( 0.273 -1.042 0.037) 1.078 5.039 ( 3.782 -2.278 -0.335) 4.428 5.133 ( -3.405 1.038 0.362) 3.578 5.224 ( 10.721 1.167 0.081) 10.785 5.365 ( 5.711 -2.894 -0.238) 6.407 5.482 ( -1.774 1.794 -0.477) 2.568 5.586 ( -4.308 -4.236 -1.719) 6.282 5.617 ( -5.611 3.143 3.126) 7.151 5.686 ( 1.792 3.466 -2.602) 4.690 5.822 ( 4.363 -3.741 3.508) 6.733 6.158 ( -1.042 2.813 1.000) 3.161 6.209 ( -3.515 3.655 -2.697) 5.743 6.285 ( -5.623 5.243 1.832) 7.903 6.384 ( -1.451 1.874 -4.239) 4.856 6.474 ( -5.910 1.868 1.995) 6.511 6.792 ( 1.173 -3.377 -1.542) 3.894 6.814 ( -0.911 0.372 2.628) 2.806 7.019 ( -4.318 -1.088 0.203) 4.458 7.064 ( -5.223 3.361 -1.506) 6.391 7.597 ( -3.809 -2.372 1.873) 4.862 7.780 ( 0.382 3.102 -4.772) 5.704 7.808 ( -0.734 -6.189 0.488) 6.251 7.908 ( -1.566 -1.642 0.273) 2.285 8.180 ( 4.954 -0.946 -1.512) 5.265 8.236 ( -4.961 2.376 2.879) 6.208 8.772 ( 5.909 -3.562 1.600) 7.082 8.831 ( 6.572 -1.192 -4.275) 7.930 8.895 ( 3.970 -2.901 3.375) 5.963 9.155 ( -5.093 -3.043 9.018) 10.795 9.361 ( 4.793 2.220 -1.161) 5.408 9.513 ( 1.976 2.247 -8.539) 9.049 10.046 ( 4.095 1.145 0.262) 4.260 10.332 ( -4.241 3.894 0.765) 5.808 10.532 ( -7.035 -1.693 2.027) 7.515 10.540 ( -0.114 3.557 -2.274) 4.223 10.797 ( -2.329 -3.315 2.049) 4.540 10.865 ( -0.668 0.019 -1.732) 1.856 11.007 ( 1.263 2.249 -0.862) 2.720 11.034 ( -1.284 -0.376 0.696) 1.508 11.160 ( 6.964 -0.270 0.281) 6.975 11.249 ( 3.322 0.998 0.074) 3.469 11.703 ( 1.766 -2.265 -0.596) 2.934 11.809 ( -3.793 -1.418 0.910) 4.151 12.134 ( 0.209 2.383 0.165) 2.398 12.170 ( 0.004 1.704 -0.391) 1.748 12.803 ( -0.366 2.660 0.570) 2.745 12.853 ( -1.879 4.536 -1.139) 5.040 13.086 ( 3.189 -7.944 1.608) 8.710 13.299 ( -0.867 -4.532 -1.114) 4.746 16.060 ( -3.653 -1.730 2.535) 4.771 16.108 ( -0.236 -0.450 -2.485) 2.537 17.889 ( 5.135 -0.226 -0.123) 5.141 18.261 ( -7.418 -5.731 2.517) 9.706 18.283 ( 3.179 3.740 -3.175) 5.846 18.408 ( -0.970 5.918 0.337) 6.007 18.749 ( 4.618 -2.350 1.799) 5.485 19.004 ( -2.869 -1.143 -1.537) 3.450 19.264 ( 2.600 1.273 -0.132) 2.898 19.442 ( 1.147 -0.119 0.450) 1.238 19.585 ( 1.595 -4.829 -0.145) 5.088 20.059 ( -12.010 -5.514 -0.002) 13.215 21.065 ( 12.414 7.258 0.015) 14.380 21.608 ( -7.454 5.540 0.244) 9.291 21.950 ( 1.032 -3.785 0.350) 3.939 22.029 ( -0.468 0.526 -0.442) 0.831 22.120 ( -0.412 -1.757 2.057) 2.737 22.227 ( 0.863 0.770 -3.181) 3.384 22.964 ( -1.955 2.185 3.606) 4.647 23.020 ( 1.491 -0.560 -2.597) 3.047 23.309 ( 1.041 -1.591 1.706) 2.554 23.393 ( 1.817 -2.596 -1.797) 3.643 ======================= Grid point 146 (55/102) ======================= q-point: (-0.27 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -1.398 19.198 0.966) 19.273 1.360 ( -4.200 13.850 1.473) 14.548 1.544 ( -3.267 8.701 1.582) 9.428 1.721 ( -2.255 -0.355 0.213) 2.293 1.962 ( -2.375 7.020 -0.373) 7.420 2.127 ( 1.206 4.209 -5.534) 7.057 2.193 ( -1.844 1.742 -1.124) 2.775 2.323 ( -10.397 10.127 -0.473) 14.522 2.565 ( -3.889 7.225 8.042) 11.489 2.639 ( -0.844 3.022 -3.671) 4.829 2.721 ( -1.995 3.065 2.985) 4.721 2.910 ( -0.136 2.709 -3.360) 4.318 2.968 ( -0.092 5.416 1.767) 5.698 3.048 ( -4.105 1.714 -2.490) 5.098 3.204 ( 3.995 -0.559 -1.499) 4.303 3.233 ( -1.914 -2.279 0.915) 3.113 3.315 ( 0.289 -3.308 0.521) 3.362 3.338 ( 0.431 0.421 -0.627) 0.869 3.488 ( 5.523 -3.017 -1.532) 6.477 3.564 ( 1.550 -0.806 -0.713) 1.887 3.664 ( 2.156 -2.033 -1.932) 3.537 3.711 ( -1.602 -2.931 1.197) 3.549 3.887 ( 2.319 -0.592 1.572) 2.863 3.931 ( 3.840 0.034 4.161) 5.662 4.004 ( -3.488 0.967 1.903) 4.089 4.101 ( -0.073 -5.402 1.384) 5.577 4.286 ( 3.859 -3.184 -7.420) 8.949 4.442 ( -5.767 -4.388 1.691) 7.441 4.542 ( -0.912 2.756 4.036) 4.972 4.706 ( 6.355 -1.403 -4.881) 8.135 4.737 ( 0.106 -0.197 -0.465) 0.516 4.867 ( -3.252 2.210 2.432) 4.623 5.104 ( 5.353 -1.270 -1.368) 5.669 5.121 ( -0.401 -1.200 1.299) 1.813 5.254 ( 6.222 2.608 -1.847) 6.995 5.417 ( -3.167 5.248 1.879) 6.411 5.467 ( 0.995 -1.704 -1.227) 2.323 5.493 ( 3.378 -0.014 -0.266) 3.388 5.593 ( -1.449 0.907 -1.884) 2.544 5.692 ( -5.652 -2.489 0.873) 6.238 5.887 ( -1.315 0.467 5.271) 5.452 6.085 ( -0.654 1.295 1.221) 1.896 6.152 ( -0.332 2.666 0.313) 2.705 6.196 ( 2.864 2.297 -4.564) 5.858 6.293 ( -5.776 2.385 -0.227) 6.253 6.492 ( -9.096 -7.565 -1.582) 11.936 6.747 ( -5.586 2.290 5.519) 8.180 6.850 ( 1.964 2.710 -5.797) 6.694 6.984 ( -4.338 -3.578 0.520) 5.647 7.040 ( -5.879 -3.082 0.344) 6.647 7.601 ( -5.034 -1.042 4.123) 6.590 7.729 ( 0.595 1.177 -6.001) 6.144 7.937 ( 1.014 -3.808 1.404) 4.183 7.954 ( 0.949 -5.988 -3.689) 7.097 8.175 ( -5.618 -1.576 9.866) 11.462 8.266 ( 5.465 -2.826 -8.039) 10.123 8.851 ( 0.534 -2.509 3.813) 4.595 8.882 ( 5.642 0.193 -0.320) 5.654 9.005 ( 6.261 -3.620 3.161) 7.893 9.184 ( -4.149 -1.591 7.011) 8.301 9.343 ( 3.678 2.880 -1.480) 4.900 9.497 ( 1.178 -1.259 -10.438) 10.579 10.023 ( 2.623 4.146 2.068) 5.324 10.203 ( -4.468 6.194 -0.829) 7.682 10.503 ( 1.046 -0.212 -1.950) 2.223 10.516 ( -4.844 -1.053 2.056) 5.366 10.824 ( 3.490 3.673 -2.834) 5.805 10.848 ( -3.188 -3.531 3.797) 6.087 10.996 ( -1.380 0.015 0.033) 1.380 11.032 ( -3.799 -1.921 -0.202) 4.262 11.237 ( 3.642 -2.856 0.310) 4.639 11.290 ( 2.971 -2.344 -0.373) 3.803 11.765 ( 1.162 -3.075 -0.075) 3.288 11.836 ( -3.434 -4.876 -0.175) 5.966 12.088 ( -1.001 2.545 0.912) 2.883 12.132 ( -0.578 2.038 -0.793) 2.262 12.743 ( -0.750 3.051 1.641) 3.545 12.781 ( 0.227 2.867 -2.005) 3.506 13.258 ( 2.103 -8.546 2.480) 9.144 13.393 ( 0.573 -6.146 -2.146) 6.535 16.069 ( -4.774 -2.084 4.183) 6.680 16.125 ( 0.732 -1.886 -4.090) 4.562 17.935 ( 9.089 0.852 0.151) 9.130 18.187 ( 2.185 8.631 -2.250) 9.184 18.224 ( -1.476 7.601 1.957) 7.986 18.354 ( -12.042 -5.847 0.488) 13.396 18.871 ( 8.565 -6.825 -1.018) 10.998 19.081 ( -5.962 -9.976 2.244) 11.837 19.258 ( 2.852 0.947 -1.441) 3.333 19.463 ( -3.789 -3.582 -0.562) 5.244 19.737 ( 7.404 -7.667 0.240) 10.661 20.074 ( -11.338 -5.821 -0.181) 12.747 20.997 ( 13.244 11.010 0.244) 17.225 21.413 ( -11.399 8.636 -0.034) 14.301 21.983 ( 0.967 4.104 -0.071) 4.217 22.006 ( -0.265 0.155 0.224) 0.381 22.146 ( -2.909 -3.129 5.948) 7.323 22.271 ( 3.845 -4.439 -7.989) 9.916 22.900 ( -3.102 3.556 7.264) 8.662 23.031 ( 2.995 0.509 -6.431) 7.112 23.339 ( 0.750 -0.118 4.842) 4.901 23.455 ( 4.483 -2.421 -3.980) 6.465 ======================= Grid point 147 (56/102) ======================= q-point: (-0.18 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 1.537 14.469 -1.835) 14.666 1.029 ( -6.828 16.756 -0.755) 18.109 1.331 ( 3.819 15.649 1.204) 16.153 1.629 ( -12.030 6.834 -7.393) 15.687 1.818 ( -1.866 10.133 7.757) 12.897 1.957 ( -3.216 13.031 -0.519) 13.432 2.041 ( 0.215 8.406 6.055) 10.362 2.190 ( -8.371 9.599 3.473) 13.201 2.461 ( 2.972 -4.252 -1.262) 5.339 2.540 ( -0.166 4.271 -2.973) 5.207 2.664 ( 0.202 4.579 -3.077) 5.520 2.768 ( -1.793 9.174 -7.014) 11.686 2.910 ( -5.695 1.951 4.526) 7.532 2.941 ( 1.344 5.069 -1.448) 5.440 3.261 ( -2.882 -1.847 2.562) 4.276 3.282 ( 5.247 -2.110 -4.282) 7.093 3.340 ( 0.544 0.291 1.941) 2.036 3.352 ( 0.064 -1.136 1.402) 1.806 3.550 ( -2.760 -3.025 3.277) 5.244 3.623 ( 5.130 -3.634 -6.061) 8.732 3.711 ( 0.962 -1.576 -0.021) 1.846 3.759 ( -0.203 -2.968 -2.814) 4.095 3.929 ( 4.853 -1.304 -0.485) 5.048 3.953 ( -2.214 -0.580 3.242) 3.968 4.019 ( 6.498 -1.222 3.821) 7.637 4.216 ( -6.071 -6.207 0.681) 8.709 4.338 ( 7.340 -0.683 -1.836) 7.597 4.478 ( -9.195 -5.694 2.820) 11.176 4.526 ( 1.148 -1.191 2.852) 3.297 4.717 ( 0.632 1.244 -4.756) 4.956 4.749 ( -1.183 1.737 1.929) 2.853 4.817 ( 2.553 -0.095 -3.353) 4.216 5.128 ( 6.252 3.122 -1.225) 7.094 5.179 ( 2.080 -3.024 3.347) 4.968 5.235 ( -9.267 5.606 1.578) 10.945 5.274 ( 3.513 -2.781 -3.961) 5.980 5.521 ( 1.175 -1.960 -1.133) 2.550 5.564 ( -2.059 -0.093 -0.999) 2.290 5.594 ( 9.258 -2.144 -1.905) 9.692 5.646 ( -5.159 3.025 3.116) 6.743 5.856 ( -2.972 0.733 4.734) 5.637 6.030 ( -2.861 2.331 -3.733) 5.249 6.135 ( 1.625 1.595 1.689) 2.835 6.205 ( -3.926 -1.009 -1.479) 4.315 6.288 ( 9.398 -2.103 0.740) 9.659 6.532 ( -12.373 -5.297 -3.007) 13.791 6.680 ( -6.432 1.460 6.987) 9.608 6.794 ( 3.458 2.038 -6.872) 7.958 7.027 ( -8.602 -4.204 4.251) 10.476 7.075 ( 0.201 -3.391 -4.040) 5.278 7.575 ( -4.177 1.286 4.874) 6.547 7.709 ( 1.897 0.950 -7.520) 7.814 7.983 ( -1.704 -2.729 3.617) 4.841 8.052 ( 2.174 -4.191 -5.025) 6.895 8.244 ( -3.844 -7.081 7.948) 11.317 8.360 ( 4.383 -5.931 -5.597) 9.259 8.879 ( 1.302 0.740 2.058) 2.545 8.904 ( 1.607 0.744 1.738) 2.481 9.099 ( -1.540 -1.580 7.858) 8.162 9.181 ( 0.833 -0.618 3.313) 3.471 9.317 ( 1.793 2.382 -1.139) 3.192 9.502 ( -2.208 -0.990 -7.406) 7.791 9.999 ( 4.405 0.070 -0.458) 4.430 10.081 ( -4.298 2.560 -1.033) 5.109 10.511 ( -1.170 -0.835 1.256) 1.909 10.536 ( 0.774 -1.933 -0.976) 2.300 10.798 ( 7.147 2.985 -1.544) 7.898 10.883 ( -6.151 -2.867 2.531) 7.243 10.988 ( -1.944 -0.722 1.876) 2.796 11.043 ( -2.081 -2.213 -1.682) 3.473 11.287 ( 1.733 -0.320 0.562) 1.849 11.349 ( 0.307 -2.388 -0.651) 2.494 11.830 ( 1.195 -3.778 0.186) 3.967 11.916 ( -4.522 -6.603 -1.283) 8.105 12.044 ( -0.129 1.895 1.501) 2.421 12.090 ( -0.520 1.931 -0.989) 2.231 12.703 ( -0.703 1.289 2.014) 2.493 12.743 ( 1.043 1.589 -1.883) 2.676 13.418 ( 0.438 -7.650 2.980) 8.222 13.505 ( 1.535 -6.171 -3.116) 7.081 16.084 ( -6.549 -3.096 6.043) 9.434 16.169 ( 2.719 -3.083 -5.553) 6.909 17.968 ( 6.594 5.206 1.947) 8.624 18.023 ( 1.472 10.374 -0.212) 10.480 18.093 ( 5.424 5.344 0.441) 7.627 18.355 ( -17.150 -5.549 -2.883) 18.254 19.095 ( 8.374 -10.406 -0.239) 13.359 19.227 ( -7.416 -9.576 -1.491) 12.203 19.304 ( 5.521 -4.880 4.437) 8.601 19.512 ( -5.239 -6.278 -3.253) 8.800 19.943 ( 8.509 -8.394 0.677) 11.971 20.099 ( -9.196 -5.734 -0.521) 10.850 20.871 ( 13.595 14.985 1.553) 20.292 21.139 ( -14.480 11.412 -1.445) 18.493 21.902 ( 1.462 5.717 1.178) 6.017 21.953 ( -1.944 3.416 0.067) 3.931 22.231 ( -1.245 -5.731 4.334) 7.292 22.362 ( 3.567 -4.125 -8.156) 9.811 22.835 ( -3.142 2.962 9.226) 10.187 23.017 ( 3.084 1.910 -7.919) 8.710 23.340 ( 0.518 2.158 7.088) 7.427 23.515 ( 4.357 -1.392 -6.608) 8.036 ======================= Grid point 148 (57/102) ======================= q-point: (-0.09 0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -2.478 16.048 3.465) 16.604 0.842 ( 5.190 1.820 -10.915) 12.223 1.071 ( 8.690 19.039 6.271) 21.848 1.334 ( -9.601 12.778 -14.116) 21.324 1.503 ( -5.496 26.711 10.613) 29.263 1.641 ( 2.908 15.903 1.078) 16.202 1.989 ( 5.339 4.623 7.434) 10.254 2.020 ( -6.532 1.006 3.886) 7.667 2.471 ( -7.462 4.860 1.776) 9.081 2.543 ( 5.620 6.809 -4.824) 10.061 2.584 ( 0.990 2.598 -3.913) 4.800 2.673 ( 5.344 -7.852 -7.855) 12.326 2.839 ( -4.419 -0.082 3.568) 5.681 2.905 ( 3.849 2.856 -1.483) 5.017 3.245 ( -8.287 -0.361 3.988) 9.204 3.299 ( 1.173 2.896 2.657) 4.101 3.329 ( 0.468 -1.332 0.308) 1.445 3.398 ( 3.507 -0.888 -2.188) 4.228 3.594 ( -2.554 -2.436 2.882) 4.556 3.702 ( 1.037 -1.370 -4.907) 5.199 3.715 ( -0.825 1.357 1.776) 2.382 3.778 ( 1.061 -1.165 -3.288) 3.646 3.937 ( -4.743 -0.996 3.167) 5.790 4.029 ( 8.068 -2.312 -3.746) 9.191 4.089 ( 4.617 1.819 1.987) 5.346 4.168 ( -6.065 -0.719 -4.645) 7.673 4.469 ( 4.683 -5.813 6.559) 9.936 4.527 ( -9.226 -7.243 3.281) 12.180 4.613 ( 0.497 -5.451 1.177) 5.599 4.676 ( -3.733 2.477 4.304) 6.212 4.712 ( 2.878 -1.053 -5.068) 5.922 4.856 ( 6.395 -0.375 -8.907) 10.971 5.047 ( -10.850 1.900 6.231) 12.656 5.179 ( 5.184 0.299 -5.282) 7.407 5.264 ( 1.362 -2.139 4.615) 5.266 5.378 ( 4.333 -5.828 -3.861) 8.225 5.473 ( -10.334 3.198 2.445) 11.091 5.542 ( 3.382 4.207 -0.677) 5.440 5.596 ( 0.704 -0.383 -0.689) 1.057 5.645 ( 2.244 1.764 -2.401) 3.730 5.870 ( 2.399 -1.367 4.551) 5.323 5.976 ( -1.401 0.834 -4.548) 4.831 6.117 ( -1.527 1.760 3.503) 4.208 6.187 ( 1.754 -0.521 -2.848) 3.385 6.425 ( 8.566 -2.713 2.276) 9.269 6.500 ( -8.818 -3.100 -2.432) 9.658 6.640 ( -1.159 1.304 5.325) 5.604 6.789 ( 3.526 1.231 -6.249) 7.280 7.044 ( -3.081 -2.506 1.568) 4.270 7.095 ( -0.955 0.819 -3.770) 3.974 7.521 ( -2.777 2.825 5.557) 6.825 7.684 ( 3.598 1.936 -8.420) 9.359 8.060 ( -1.899 -7.111 3.232) 8.039 8.140 ( 2.735 -5.291 -2.541) 6.476 8.351 ( -6.100 -6.488 8.910) 12.597 8.514 ( 4.730 -7.904 -5.794) 10.882 8.861 ( 3.696 3.892 1.730) 5.639 8.881 ( -2.729 0.862 -0.175) 2.867 9.065 ( -4.834 2.083 9.335) 10.717 9.240 ( 7.491 1.561 -6.875) 10.287 9.297 ( -6.399 -3.704 12.560) 14.575 9.471 ( -5.202 -0.733 -0.876) 5.326 10.027 ( -3.272 -2.556 2.614) 4.906 10.149 ( 6.945 -9.850 -7.477) 14.183 10.541 ( 1.954 -1.909 0.672) 2.813 10.557 ( -2.009 -1.296 -0.746) 2.504 10.801 ( 6.548 3.184 1.622) 7.460 10.836 ( -9.333 1.804 -1.634) 9.645 11.012 ( -1.217 -1.629 5.152) 5.539 11.087 ( 2.582 -2.949 -1.670) 4.261 11.293 ( 5.187 1.961 0.982) 5.631 11.345 ( -5.511 1.087 -3.327) 6.529 11.934 ( 4.520 -5.130 1.655) 7.035 11.969 ( -3.083 -3.608 -1.378) 4.941 12.029 ( -1.335 0.322 1.445) 1.993 12.070 ( 1.306 -0.862 -2.218) 2.714 12.692 ( -1.042 -0.023 1.879) 2.149 12.727 ( 0.739 0.845 -1.188) 1.634 13.539 ( -0.679 -5.330 2.410) 5.889 13.608 ( 1.238 -4.683 -3.620) 6.047 16.105 ( -10.737 -4.544 8.657) 14.521 16.272 ( 8.585 -6.369 -5.814) 12.168 17.845 ( -0.598 7.983 1.810) 8.207 17.862 ( 1.400 8.857 0.859) 9.009 18.111 ( -0.925 2.480 4.493) 5.215 18.289 ( -1.461 0.352 -10.509) 10.616 19.305 ( 0.518 -8.164 2.075) 8.439 19.328 ( 1.528 -7.009 -0.002) 7.173 19.507 ( 0.584 -11.993 3.403) 12.480 19.612 ( -0.849 -9.298 -5.214) 10.694 20.121 ( -1.084 -6.485 1.754) 6.804 20.163 ( 2.355 -6.086 -1.904) 6.798 20.650 ( 4.022 19.430 6.674) 20.935 20.812 ( -6.319 14.693 -7.547) 17.685 21.830 ( 2.254 3.736 3.677) 5.706 21.891 ( -1.410 1.468 -1.529) 2.546 22.323 ( -1.654 -4.786 2.904) 5.838 22.425 ( 3.192 -1.914 -6.522) 7.510 22.795 ( -2.850 1.224 9.122) 9.634 22.977 ( 1.733 2.706 -7.455) 8.118 23.290 ( -0.443 5.653 8.256) 10.016 23.508 ( -0.228 3.330 -11.317) 11.799 ======================= Grid point 151 (58/102) ======================= q-point: ( 0.18 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 9.024 0.000 16.445) 18.758 0.916 ( 16.674 0.000 9.514) 19.198 1.034 ( 18.349 0.000 -9.788) 20.796 1.151 ( 20.860 0.000 -9.753) 23.027 1.590 ( 36.711 0.000 8.362) 37.651 1.790 ( 22.912 0.000 -12.247) 25.980 2.027 ( 13.543 0.000 -11.309) 17.644 2.243 ( 9.214 0.000 3.421) 9.828 2.370 ( 8.261 0.000 3.538) 8.987 2.518 ( 4.965 0.000 1.330) 5.140 2.674 ( -12.517 -0.000 6.288) 14.008 2.789 ( -7.912 -0.000 2.511) 8.301 2.839 ( -0.521 -0.000 -0.657) 0.839 2.937 ( 6.377 0.000 -1.019) 6.458 3.149 ( -3.806 -0.000 -3.019) 4.858 3.273 ( -5.428 -0.000 -0.344) 5.439 3.346 ( 9.801 0.000 -0.690) 9.825 3.424 ( -0.225 -0.000 -5.323) 5.328 3.552 ( -2.312 -0.000 6.413) 6.817 3.579 ( 0.978 0.000 -3.132) 3.281 3.652 ( 2.352 0.000 1.659) 2.878 3.731 ( -5.459 -0.000 0.013) 5.459 3.927 ( 1.352 0.000 -4.198) 4.410 3.937 ( 0.683 0.000 2.958) 3.036 4.173 ( -0.480 -0.000 2.653) 2.696 4.363 ( -5.128 -0.000 -2.048) 5.522 4.445 ( -11.553 -0.000 1.271) 11.623 4.469 ( -6.181 -0.000 3.280) 6.998 4.687 ( -1.969 -0.000 -6.627) 6.913 4.724 ( -4.450 -0.000 -0.285) 4.460 4.759 ( 1.778 0.000 0.501) 1.847 4.907 ( 6.131 0.000 0.885) 6.195 5.035 ( -2.684 -0.000 4.736) 5.444 5.039 ( -9.888 -0.000 -2.108) 10.110 5.113 ( 0.464 0.000 -2.182) 2.231 5.240 ( 0.064 0.000 1.187) 1.189 5.338 ( -9.383 -0.000 -3.946) 10.179 5.404 ( -6.452 -0.000 4.899) 8.101 5.468 ( -10.746 -0.000 7.212) 12.942 5.702 ( 10.359 0.000 -11.688) 15.618 5.866 ( -2.031 -0.000 -4.960) 5.359 5.909 ( -2.126 -0.000 5.982) 6.348 6.227 ( -8.876 -0.000 6.515) 11.010 6.267 ( -0.611 -0.000 -3.978) 4.025 6.533 ( 3.608 0.000 -1.255) 3.820 6.654 ( 12.524 0.000 2.604) 12.792 6.821 ( 13.558 0.000 -4.840) 14.396 6.884 ( 10.250 0.000 -3.822) 10.940 7.182 ( 3.366 0.000 10.452) 10.981 7.430 ( 2.237 0.000 0.611) 2.319 7.670 ( 19.640 0.000 -10.784) 22.406 7.758 ( 3.913 0.000 -3.197) 5.053 8.040 ( -10.479 -0.000 4.650) 11.464 8.410 ( 3.941 0.000 -2.384) 4.606 8.498 ( -4.262 -0.000 -5.565) 7.010 8.635 ( -11.133 -0.000 9.201) 14.443 8.703 ( -0.344 -0.000 -3.472) 3.489 8.740 ( -4.440 -0.000 -3.031) 5.376 9.236 ( -0.335 -0.000 10.987) 10.992 9.366 ( 12.449 0.000 -6.972) 14.268 9.409 ( 11.621 0.000 -9.207) 14.826 9.568 ( -0.811 -0.000 9.642) 9.676 10.145 ( 0.326 0.000 -0.181) 0.372 10.322 ( -8.683 -0.000 -4.258) 9.671 10.341 ( -14.152 -0.000 1.476) 14.228 10.440 ( -6.440 -0.000 5.291) 8.335 10.772 ( 3.203 0.000 2.055) 3.806 10.783 ( 4.165 0.000 0.867) 4.254 10.912 ( 5.582 0.000 2.274) 6.027 11.270 ( 6.449 0.000 1.757) 6.684 11.356 ( 8.946 0.000 4.200) 9.883 11.559 ( -4.049 -0.000 -2.009) 4.520 11.859 ( -2.810 -0.000 -1.068) 3.007 11.876 ( -5.908 -0.000 0.425) 5.923 12.507 ( 11.817 0.000 4.665) 12.705 12.574 ( 1.175 0.000 -3.662) 3.846 12.729 ( 11.610 0.000 3.928) 12.257 12.870 ( 12.361 0.000 -7.172) 14.291 13.561 ( -4.271 -0.000 0.557) 4.307 13.566 ( -3.316 -0.000 -0.905) 3.438 16.078 ( 0.347 0.000 1.458) 1.499 16.761 ( -19.216 -0.000 10.802) 22.044 17.716 ( 9.480 0.000 3.312) 10.042 17.730 ( 6.557 0.000 -2.135) 6.896 18.216 ( 13.583 0.000 3.406) 14.004 18.362 ( 9.184 0.000 -6.509) 11.257 19.189 ( -11.578 -0.000 -2.693) 11.887 19.219 ( -16.246 -0.000 1.147) 16.286 19.858 ( 2.280 0.000 -1.317) 2.633 19.988 ( -4.760 -0.000 2.066) 5.190 20.205 ( -1.335 -0.000 4.135) 4.345 20.453 ( 20.115 0.000 -18.943) 27.631 20.696 ( 22.144 0.000 -3.677) 22.447 20.743 ( 18.400 0.000 10.346) 21.109 21.938 ( 0.253 0.000 0.895) 0.930 21.985 ( 4.535 0.000 -0.763) 4.599 22.401 ( -2.298 -0.000 5.355) 5.827 22.412 ( 0.064 0.000 -2.709) 2.710 22.497 ( -13.646 -0.000 8.071) 15.854 22.831 ( -6.726 -0.000 0.539) 6.748 22.913 ( -4.713 -0.000 1.283) 4.885 22.919 ( -7.243 -0.000 -2.858) 7.786 ======================= Grid point 152 (59/102) ======================= q-point: ( 0.27 0.18 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 17.105 -2.194 6.375) 18.386 1.173 ( 16.907 -1.945 -8.202) 18.891 1.212 ( 10.928 -12.907 9.345) 19.322 1.320 ( 19.557 -3.405 -7.010) 21.052 1.857 ( 19.333 0.260 1.358) 19.382 1.972 ( 25.408 -7.349 0.805) 26.462 2.121 ( 13.018 1.042 -5.753) 14.271 2.338 ( 5.448 0.203 5.660) 7.858 2.443 ( 6.593 -1.130 4.145) 7.869 2.501 ( 2.845 -1.030 -6.782) 7.427 2.672 ( -0.148 -5.382 -1.416) 5.567 2.765 ( -6.533 -5.571 1.598) 8.733 2.866 ( -2.108 -1.106 2.345) 3.341 2.983 ( 6.972 2.063 -3.050) 7.885 3.087 ( 1.207 -0.246 -1.712) 2.109 3.252 ( -6.599 0.492 2.267) 6.995 3.362 ( 0.575 2.484 -3.960) 4.710 3.412 ( 0.538 1.228 3.302) 3.564 3.539 ( 2.283 1.248 -3.870) 4.663 3.579 ( -3.175 -2.425 3.867) 5.561 3.685 ( -2.846 1.531 -0.646) 3.296 3.704 ( -2.574 -2.851 0.261) 3.850 3.885 ( -1.044 4.275 -3.319) 5.512 3.923 ( 3.007 3.563 2.224) 5.166 4.174 ( -3.751 1.973 1.487) 4.492 4.282 ( -6.849 1.958 2.063) 7.416 4.349 ( -8.914 0.680 -1.056) 9.002 4.450 ( -1.958 0.703 -0.116) 2.083 4.584 ( -1.194 5.242 0.124) 5.378 4.605 ( -6.596 1.380 0.868) 6.795 4.833 ( -2.020 -0.065 -6.758) 7.054 4.878 ( -1.086 3.605 2.606) 4.579 5.004 ( 2.937 0.014 -0.460) 2.973 5.103 ( -7.271 -7.219 1.061) 10.301 5.149 ( -1.930 -4.666 -0.401) 5.066 5.223 ( -0.724 2.861 3.959) 4.938 5.255 ( -7.392 1.262 -1.985) 7.757 5.376 ( -7.254 -2.572 2.589) 8.121 5.441 ( -9.631 -4.261 4.088) 11.297 5.712 ( 5.471 3.149 -7.056) 9.467 5.886 ( -0.668 -3.925 -3.876) 5.557 5.947 ( 1.992 -3.956 2.457) 5.064 6.163 ( -6.928 1.303 3.465) 7.855 6.254 ( 0.576 0.370 -0.626) 0.928 6.561 ( 5.692 0.294 -1.424) 5.875 6.740 ( 11.984 0.931 1.222) 12.082 6.856 ( 6.272 1.615 -0.497) 6.495 7.022 ( 6.481 -5.882 -4.906) 10.033 7.216 ( 4.670 1.555 6.053) 7.802 7.469 ( 2.910 -1.104 -1.291) 3.370 7.705 ( 11.680 6.571 -6.229) 14.779 7.769 ( 2.594 0.415 -2.334) 3.513 8.001 ( -5.912 -1.204 4.667) 7.628 8.355 ( 4.438 6.604 0.212) 7.960 8.389 ( -5.359 7.168 -1.713) 9.112 8.474 ( -10.151 5.371 1.879) 11.637 8.717 ( -2.082 -2.007 -4.969) 5.749 8.801 ( -3.936 -6.480 0.915) 7.637 9.270 ( -1.419 -1.074 15.428) 15.530 9.288 ( 9.283 11.808 -3.483) 15.418 9.480 ( 5.193 3.042 -5.487) 8.144 9.537 ( 5.843 3.864 -0.080) 7.006 10.109 ( 2.691 3.215 0.014) 4.193 10.178 ( -8.640 2.951 -1.653) 9.279 10.343 ( -9.008 -4.748 -4.561) 11.157 10.458 ( -4.005 -3.644 5.569) 7.767 10.709 ( 5.250 4.899 0.399) 7.191 10.861 ( 1.446 -0.461 3.304) 3.636 11.013 ( 6.780 -5.305 0.807) 8.647 11.337 ( 7.141 -0.606 -0.777) 7.209 11.404 ( 8.136 2.634 4.205) 9.530 11.517 ( -4.324 -0.238 -3.809) 5.767 11.816 ( -4.292 0.780 -0.063) 4.363 11.870 ( -2.928 -2.021 -0.108) 3.559 12.537 ( 5.044 5.237 -2.139) 7.579 12.555 ( 5.133 0.665 2.132) 5.598 12.729 ( 8.355 8.532 2.521) 12.204 12.849 ( 12.679 10.699 -1.958) 16.706 13.498 ( -6.011 1.368 -0.954) 6.238 13.546 ( -3.915 1.707 -0.016) 4.271 16.072 ( -2.056 0.134 1.146) 2.358 16.561 ( -17.221 7.051 3.630) 18.959 17.694 ( 7.871 4.289 0.060) 8.964 17.871 ( 7.634 -4.603 0.788) 8.949 18.053 ( 12.286 7.706 -0.738) 14.521 18.731 ( 3.752 -11.095 1.583) 11.819 19.062 ( -10.044 2.516 -1.117) 10.414 19.250 ( -16.894 -14.333 -0.023) 22.155 19.759 ( -1.400 11.563 0.276) 11.651 19.857 ( 0.749 9.722 0.614) 9.770 20.061 ( 0.307 13.790 1.758) 13.905 20.435 ( 15.175 10.854 -11.941) 22.151 20.827 ( 18.368 -0.102 0.703) 18.382 21.033 ( 13.498 -11.556 5.592) 18.628 21.870 ( 1.294 3.723 -1.114) 4.096 21.988 ( 4.140 1.344 1.858) 4.732 22.334 ( -1.845 5.264 -1.128) 5.691 22.459 ( -1.081 -2.834 -1.824) 3.540 22.585 ( -8.189 -10.612 6.523) 14.907 22.791 ( -4.180 -2.977 -1.234) 5.278 22.953 ( -8.489 -9.396 -1.235) 12.723 22.967 ( -8.159 -8.106 1.309) 11.575 ======================= Grid point 154 (60/102) ======================= q-point: ( 0.36 0.18 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 19.977 -4.963 -1.369) 20.630 1.276 ( 12.878 -0.487 -5.501) 14.012 1.445 ( 14.167 -3.349 -4.853) 15.345 1.590 ( 4.525 -15.081 11.871) 19.719 1.974 ( 6.043 -2.874 0.836) 6.744 2.067 ( 3.657 5.288 3.523) 7.331 2.326 ( 3.893 -1.800 2.219) 4.829 2.355 ( 18.807 -9.793 -4.057) 21.589 2.510 ( 4.655 -0.716 1.006) 4.816 2.694 ( 9.889 -8.469 -3.543) 13.493 2.750 ( 3.485 -0.398 -5.763) 6.746 2.831 ( -3.910 -2.320 1.675) 4.845 2.884 ( 1.158 -6.613 -1.094) 6.803 2.981 ( 1.816 -0.441 -0.556) 1.950 3.158 ( -5.351 0.746 1.625) 5.642 3.193 ( 8.069 -0.910 1.926) 8.346 3.287 ( -4.673 2.589 -0.809) 5.403 3.373 ( -0.757 3.929 1.778) 4.379 3.527 ( -2.130 -2.145 -0.854) 3.141 3.614 ( -2.969 4.144 -0.648) 5.139 3.640 ( 0.131 -3.493 0.611) 3.549 3.734 ( -0.170 -2.872 -1.718) 3.351 3.761 ( -3.070 6.777 -0.213) 7.443 3.875 ( 3.077 4.824 0.189) 5.725 4.056 ( -7.435 2.693 1.468) 8.043 4.182 ( -6.123 4.972 2.057) 8.151 4.304 ( -5.358 1.831 -1.119) 5.772 4.393 ( -1.215 1.797 -0.282) 2.187 4.514 ( -7.266 0.646 3.379) 8.039 4.635 ( 1.291 -4.664 -0.379) 4.854 4.755 ( -1.937 3.157 -9.743) 10.423 4.826 ( -1.390 2.302 3.317) 4.270 5.018 ( -1.823 -0.361 -0.230) 1.873 5.086 ( -4.586 0.336 0.075) 4.599 5.153 ( -8.494 0.234 4.669) 9.696 5.191 ( -5.113 -0.007 0.579) 5.146 5.281 ( 2.366 -5.519 -0.394) 6.018 5.420 ( -3.179 -5.938 2.309) 7.120 5.488 ( -6.340 -6.292 0.620) 8.954 5.678 ( 2.968 2.051 -2.750) 4.536 5.940 ( -0.579 -2.218 -2.429) 3.340 6.053 ( 0.372 -4.099 1.033) 4.243 6.124 ( 0.473 -1.303 -0.154) 1.395 6.269 ( 2.945 -0.724 1.418) 3.348 6.594 ( 6.543 0.826 -1.610) 6.788 6.801 ( 9.741 1.681 1.309) 9.971 6.864 ( 1.882 0.983 0.596) 2.205 7.117 ( 1.466 -2.271 -2.692) 3.814 7.216 ( 4.445 3.668 1.879) 6.062 7.419 ( 4.614 10.266 -4.730) 12.209 7.644 ( 0.835 3.302 -1.251) 3.628 7.784 ( 2.418 0.132 1.392) 2.793 7.977 ( -4.992 0.997 3.778) 6.339 8.222 ( -4.471 6.552 -5.080) 9.419 8.306 ( 7.618 4.740 1.257) 9.060 8.350 ( -3.978 0.880 1.081) 4.215 8.718 ( -3.606 -1.606 -3.813) 5.488 8.857 ( -6.061 -3.497 1.935) 7.260 9.092 ( 0.642 13.384 5.160) 14.359 9.293 ( -2.011 13.161 -1.604) 13.410 9.333 ( 0.556 -1.989 9.801) 10.016 9.600 ( 12.426 -0.751 -8.443) 15.042 10.084 ( 1.613 3.354 -0.548) 3.762 10.112 ( -2.983 -2.285 0.725) 3.826 10.370 ( -2.285 -4.310 -5.962) 7.703 10.506 ( -3.716 -3.754 4.981) 7.260 10.677 ( 4.825 3.389 0.077) 5.897 10.860 ( -0.775 1.021 2.668) 2.960 11.156 ( 7.611 -3.904 0.012) 8.554 11.358 ( 6.283 3.472 -0.836) 7.227 11.379 ( 3.498 5.331 -0.238) 6.380 11.524 ( 3.317 -0.531 0.410) 3.384 11.771 ( -4.549 0.561 -0.966) 4.685 11.889 ( -2.043 -1.758 0.384) 2.722 12.442 ( 12.725 12.794 -0.260) 18.047 12.580 ( 7.987 3.300 0.768) 8.676 12.669 ( -0.764 -0.018 0.466) 0.895 12.697 ( 5.070 11.283 -0.397) 12.376 13.413 ( -7.174 3.658 -0.254) 8.057 13.447 ( -4.377 4.642 -0.560) 6.405 16.053 ( -3.420 -0.086 0.923) 3.543 16.340 ( -10.965 5.866 0.237) 12.437 17.704 ( 5.299 0.193 -0.113) 5.303 17.993 ( 4.482 -3.789 0.533) 5.893 18.103 ( 11.100 -1.572 -0.452) 11.220 18.786 ( -1.462 2.661 1.863) 3.562 18.936 ( -7.189 4.359 -1.197) 8.492 19.378 ( -11.646 -6.279 -1.264) 13.291 19.543 ( -3.490 6.261 1.095) 7.251 19.687 ( 4.680 11.971 2.755) 13.145 19.825 ( -2.558 10.358 0.732) 10.694 20.284 ( 9.591 13.669 -7.001) 18.107 20.963 ( 17.185 -0.285 0.705) 17.202 21.314 ( 7.261 -10.132 3.973) 13.083 21.858 ( 1.586 -0.998 -2.794) 3.364 22.038 ( 4.558 -2.367 1.752) 5.426 22.214 ( -3.416 5.659 -0.591) 6.636 22.439 ( -1.772 3.019 -3.515) 4.961 22.693 ( -3.431 -6.216 7.064) 10.016 22.870 ( -1.505 -7.110 -4.165) 8.376 23.056 ( -9.610 -8.840 1.520) 13.145 23.061 ( -8.204 -8.970 -0.355) 12.161 ======================= Grid point 155 (61/102) ======================= q-point: ( 0.45 0.18 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 15.205 -0.268 -6.525) 16.548 1.413 ( 5.722 -1.579 4.616) 7.520 1.606 ( 11.198 -8.106 -4.030) 14.399 1.877 ( -0.304 -11.664 10.750) 15.865 1.996 ( 1.589 -1.983 -0.558) 2.601 2.147 ( 5.073 -5.690 -1.572) 7.784 2.377 ( 1.910 -3.219 -1.832) 4.168 2.491 ( 4.226 3.098 0.871) 5.312 2.648 ( 2.230 3.656 -5.444) 6.926 2.686 ( 8.158 -5.004 -0.444) 9.580 2.786 ( -2.252 0.344 -0.225) 2.289 2.865 ( -3.006 2.754 5.539) 6.878 2.983 ( 4.621 -3.069 -3.604) 6.615 3.059 ( 2.614 -3.927 -2.573) 5.374 3.138 ( 0.937 -4.553 0.665) 4.696 3.206 ( -4.564 1.714 2.766) 5.605 3.310 ( 5.524 -3.396 1.348) 6.624 3.336 ( 1.478 -0.318 1.295) 1.991 3.522 ( 3.036 4.396 -3.237) 6.246 3.569 ( -4.319 -3.502 0.085) 5.561 3.624 ( -5.330 4.000 0.066) 6.664 3.674 ( -1.021 -0.362 1.078) 1.528 3.775 ( -3.030 -1.222 -0.896) 3.388 3.833 ( 8.230 1.947 -3.349) 9.096 4.026 ( -3.200 -0.194 1.667) 3.613 4.045 ( -7.935 3.272 3.912) 9.433 4.206 ( -2.911 3.571 -0.024) 4.607 4.351 ( -5.428 2.015 1.497) 5.980 4.465 ( -5.158 -1.508 -0.047) 5.374 4.684 ( -2.190 -0.358 -7.049) 7.390 4.718 ( 0.180 -1.349 -2.730) 3.050 4.800 ( -1.454 0.222 3.728) 4.008 4.992 ( -4.235 -1.572 2.706) 5.266 5.049 ( -2.293 0.656 0.203) 2.394 5.149 ( -5.450 -4.178 2.313) 7.246 5.196 ( -1.825 -2.748 -2.029) 3.873 5.367 ( 3.812 -1.978 0.158) 4.298 5.511 ( -0.956 -4.516 1.075) 4.739 5.555 ( -3.152 -5.291 0.604) 6.188 5.685 ( 2.928 -0.631 0.099) 2.997 5.918 ( -1.714 2.714 -1.081) 3.387 6.088 ( -2.731 -3.180 -2.247) 4.755 6.212 ( 3.295 -3.279 3.883) 6.057 6.335 ( 5.972 -2.774 -1.129) 6.681 6.615 ( 6.266 1.900 -1.763) 6.781 6.818 ( 5.512 3.720 2.277) 7.029 6.847 ( -0.038 1.856 0.975) 2.097 7.095 ( 3.539 7.611 -6.334) 10.515 7.136 ( -0.806 7.365 2.238) 7.739 7.250 ( 0.662 6.151 0.088) 6.187 7.592 ( -1.386 1.983 -1.324) 2.757 7.764 ( -3.068 2.875 4.180) 5.929 7.929 ( -4.493 1.326 0.288) 4.694 8.066 ( -4.123 4.699 -5.970) 8.644 8.287 ( 5.857 3.655 2.220) 7.252 8.410 ( 7.692 -3.869 -2.244) 8.898 8.695 ( -2.189 2.011 -1.588) 3.370 8.841 ( -7.987 1.150 4.418) 9.199 8.883 ( -2.336 8.761 3.257) 9.634 9.063 ( -3.955 6.761 -0.801) 7.874 9.399 ( 4.235 -0.943 6.269) 7.624 9.668 ( 9.953 1.079 -7.902) 12.754 10.039 ( 1.031 2.026 0.681) 2.373 10.179 ( -0.590 -5.545 0.711) 5.621 10.426 ( 0.649 -3.701 -5.502) 6.662 10.562 ( -4.391 -4.937 4.473) 7.979 10.651 ( 3.572 2.990 -0.256) 4.665 10.836 ( -2.909 0.438 1.194) 3.175 11.212 ( 5.776 4.684 -1.574) 7.601 11.304 ( 5.523 6.419 0.138) 8.469 11.342 ( 4.394 1.079 2.794) 5.317 11.524 ( 7.808 5.855 -1.475) 9.871 11.725 ( -3.414 1.166 -1.004) 3.745 11.888 ( -2.841 0.288 0.607) 2.919 12.310 ( 9.173 9.941 0.085) 13.527 12.450 ( 8.823 14.636 0.078) 17.090 12.664 ( -1.544 -4.056 -0.011) 4.340 12.728 ( 0.673 -5.157 0.267) 5.208 13.255 ( -5.744 7.683 0.343) 9.599 13.347 ( -5.348 3.035 -0.992) 6.229 16.033 ( -3.347 -0.358 0.416) 3.391 16.199 ( -7.160 2.944 -0.052) 7.742 17.754 ( 3.986 -1.907 -0.136) 4.421 18.063 ( -1.281 -2.691 0.492) 3.021 18.224 ( 9.604 -2.865 -0.413) 10.030 18.683 ( -4.663 6.151 0.731) 7.753 18.823 ( 0.279 4.494 -0.206) 4.507 19.290 ( -1.670 4.645 -1.700) 5.221 19.480 ( -0.986 3.788 -1.466) 4.179 19.524 ( 3.437 10.226 1.744) 10.928 19.714 ( -8.981 -1.241 4.573) 10.154 20.082 ( 2.138 12.244 -4.433) 13.196 21.091 ( 16.451 -0.160 0.289) 16.454 21.509 ( 2.314 -7.356 2.534) 8.117 21.896 ( 1.213 -2.427 -2.659) 3.799 22.072 ( -0.663 5.252 0.315) 5.303 22.129 ( -0.440 -1.730 1.775) 2.517 22.347 ( -1.731 4.053 -3.678) 5.740 22.798 ( -0.440 -5.570 5.561) 7.883 22.963 ( -0.379 -4.841 -3.806) 6.169 23.135 ( -5.391 -6.000 -0.322) 8.072 23.149 ( -7.875 -8.101 0.997) 11.341 ======================= Grid point 156 (62/102) ======================= q-point: ( 0.55 0.18 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 8.340 1.116 -1.794) 8.604 1.474 ( 2.231 -5.341 1.368) 5.947 1.806 ( 7.319 -3.985 -2.455) 8.688 2.036 ( 2.853 -2.432 2.086) 4.290 2.066 ( -2.148 -6.606 1.069) 7.029 2.266 ( -0.461 -5.449 0.728) 5.517 2.397 ( 1.089 6.869 -0.176) 6.957 2.475 ( 5.361 0.368 -0.891) 5.447 2.531 ( -2.504 3.846 -1.506) 4.830 2.723 ( -6.102 2.655 0.252) 6.659 2.748 ( 0.306 -1.117 0.408) 1.228 2.902 ( 5.666 -5.410 1.629) 8.002 3.029 ( 4.840 1.442 -1.668) 5.318 3.094 ( -2.545 -1.283 -0.960) 3.007 3.169 ( -1.962 0.021 0.482) 2.020 3.222 ( -1.199 -2.183 1.472) 2.893 3.326 ( -0.600 2.636 1.921) 3.316 3.423 ( 0.101 2.410 3.038) 3.879 3.497 ( 7.096 -0.767 -6.380) 9.573 3.519 ( -0.635 2.322 -3.578) 4.312 3.577 ( -2.497 -1.708 0.782) 3.125 3.714 ( -2.399 -4.971 2.911) 6.240 3.753 ( 0.566 1.800 -0.111) 1.890 3.885 ( 3.157 1.035 -2.207) 3.989 3.904 ( -6.349 -0.591 2.232) 6.756 4.064 ( -1.421 -2.781 0.387) 3.146 4.170 ( 0.018 -0.024 -0.317) 0.318 4.294 ( -6.782 -0.893 2.806) 7.394 4.483 ( -2.446 -3.135 -0.353) 3.992 4.637 ( -9.395 -0.719 -3.156) 9.937 4.725 ( 1.774 -0.125 -0.791) 1.947 4.818 ( 2.372 -1.349 -0.003) 2.728 4.998 ( -1.059 -0.859 0.915) 1.643 5.119 ( 3.447 -6.582 1.868) 7.661 5.176 ( -2.743 -0.124 -0.551) 2.801 5.237 ( -4.449 -6.309 0.683) 7.750 5.407 ( 6.506 1.581 -1.690) 6.905 5.557 ( -1.423 -1.316 0.359) 1.971 5.618 ( -2.974 -3.351 0.556) 4.515 5.739 ( 5.041 -1.762 2.988) 6.119 5.849 ( -0.435 3.249 -2.103) 3.895 6.120 ( -2.612 -3.348 -2.958) 5.175 6.256 ( -1.398 1.031 5.565) 5.830 6.415 ( 4.242 -1.385 -2.813) 5.275 6.602 ( 4.105 4.384 -0.811) 6.061 6.738 ( 0.121 8.759 3.457) 9.418 6.793 ( 2.712 4.954 -3.123) 6.454 6.933 ( 2.093 8.210 -2.425) 8.813 7.000 ( -4.752 4.458 2.484) 6.973 7.208 ( -1.417 1.150 -0.110) 1.829 7.558 ( 0.322 0.809 -2.053) 2.230 7.696 ( -4.214 1.251 3.809) 5.817 7.849 ( -8.034 1.574 0.378) 8.196 7.985 ( -0.215 2.920 -5.758) 6.460 8.244 ( 6.800 6.013 0.274) 9.082 8.471 ( -4.190 5.751 1.881) 7.360 8.639 ( 9.902 -0.764 -1.604) 10.060 8.776 ( -1.315 -0.956 -1.360) 2.119 8.816 ( -1.851 -0.142 2.823) 3.379 9.016 ( -6.050 -3.025 4.368) 8.051 9.445 ( 6.260 1.310 2.649) 6.923 9.659 ( 4.983 4.297 -5.810) 8.778 10.043 ( 4.452 -0.020 -0.266) 4.460 10.270 ( -3.922 -5.558 1.254) 6.917 10.477 ( 0.825 -2.330 -3.530) 4.310 10.620 ( -1.614 -0.404 0.622) 1.776 10.637 ( -1.441 -3.388 2.392) 4.390 10.811 ( -3.731 -0.313 -0.481) 3.775 11.122 ( 2.616 7.160 1.304) 7.733 11.220 ( 3.990 6.682 -1.184) 7.873 11.367 ( 6.104 3.275 3.788) 7.895 11.428 ( 9.765 10.700 -3.603) 14.927 11.684 ( -1.162 0.943 -0.887) 1.740 11.838 ( -4.474 2.146 0.959) 5.054 12.241 ( 4.429 4.036 0.072) 5.993 12.289 ( 3.788 8.426 0.009) 9.238 12.744 ( 0.195 -4.985 0.353) 5.001 12.841 ( 1.728 -6.131 0.055) 6.370 13.085 ( -3.469 7.469 0.555) 8.254 13.257 ( -5.227 2.141 -1.214) 5.778 16.021 ( -2.605 -0.659 0.492) 2.732 16.122 ( -4.556 1.024 -0.282) 4.678 17.824 ( 3.950 -2.597 -0.081) 4.728 18.085 ( -5.361 -3.028 0.622) 6.188 18.322 ( 6.772 -1.196 -1.520) 7.043 18.546 ( -5.008 4.258 0.702) 6.611 18.778 ( 5.198 3.777 2.331) 6.835 19.198 ( 0.348 6.052 -5.787) 8.381 19.402 ( 3.217 4.750 3.915) 6.945 19.428 ( 3.717 2.691 -1.202) 4.743 19.663 ( -5.222 3.884 2.882) 7.118 19.905 ( -9.460 2.529 -1.897) 9.975 21.204 ( 15.680 0.982 0.042) 15.711 21.620 ( -2.140 -4.593 1.691) 5.342 21.939 ( 0.270 -2.430 -2.906) 3.798 21.961 ( -2.450 4.668 -0.191) 5.275 22.149 ( -0.343 0.671 3.863) 3.936 22.279 ( -0.342 1.836 -3.679) 4.126 22.898 ( 1.049 -4.355 2.909) 5.341 23.013 ( -0.993 -1.817 -1.250) 2.418 23.198 ( -2.178 -4.732 -0.695) 5.255 23.236 ( -4.197 -6.641 0.292) 7.862 ======================= Grid point 157 (63/102) ======================= q-point: (-0.36 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 2.922 -0.858 4.209) 5.195 1.598 ( 2.944 -5.594 -4.586) 7.809 1.808 ( 4.543 7.672 -2.990) 9.404 1.948 ( -6.421 7.517 0.586) 9.903 2.200 ( -0.771 0.726 4.363) 4.489 2.235 ( 3.344 7.256 1.929) 8.219 2.331 ( 5.446 4.772 -6.378) 9.649 2.406 ( -9.082 -4.514 4.991) 11.304 2.547 ( -0.415 -2.956 -1.358) 3.280 2.650 ( -5.087 0.890 -0.981) 5.256 2.878 ( 6.856 -7.009 -0.686) 9.829 2.986 ( 0.591 5.192 0.916) 5.305 3.030 ( 2.385 -3.192 -0.623) 4.033 3.081 ( -4.266 -1.986 -0.351) 4.719 3.144 ( -2.372 8.394 2.951) 9.208 3.182 ( 1.855 1.911 -1.256) 2.945 3.252 ( -1.432 0.112 1.333) 1.960 3.338 ( -3.374 -0.510 -0.737) 3.491 3.515 ( -2.302 0.139 1.075) 2.544 3.546 ( 2.768 -0.245 -3.168) 4.214 3.632 ( 5.356 -1.765 -2.932) 6.356 3.684 ( -1.507 3.635 1.020) 4.065 3.800 ( -0.455 -4.107 1.897) 4.547 3.860 ( -3.025 -2.933 1.266) 4.399 3.985 ( 3.653 -3.495 -1.036) 5.160 4.086 ( -3.064 1.051 0.450) 3.271 4.189 ( 5.719 -2.080 -5.073) 7.923 4.293 ( -7.597 -3.512 5.004) 9.751 4.533 ( -2.087 -4.037 0.320) 4.556 4.592 ( -9.468 -3.020 0.001) 9.938 4.749 ( 4.443 0.043 1.357) 4.646 4.865 ( 2.900 -1.635 -2.462) 4.140 5.032 ( 2.823 -1.963 -0.098) 3.439 5.128 ( -2.755 1.358 -2.463) 3.937 5.273 ( 3.573 -5.597 5.631) 8.706 5.341 ( -2.203 -6.308 1.366) 6.820 5.415 ( 5.185 0.277 -5.037) 7.234 5.532 ( -0.889 2.569 -0.429) 2.752 5.620 ( -5.645 0.147 3.280) 6.531 5.789 ( 0.635 3.299 -5.317) 6.289 5.826 ( 7.072 -1.726 5.128) 8.904 6.156 ( -3.674 -3.473 -4.544) 6.797 6.190 ( -2.136 3.635 3.248) 5.322 6.392 ( -2.856 5.052 0.195) 5.807 6.465 ( -0.613 10.498 1.878) 10.682 6.576 ( 0.034 10.103 -2.136) 10.326 6.761 ( 3.391 -0.530 -2.616) 4.316 6.843 ( -2.063 1.730 2.277) 3.526 6.949 ( -3.056 0.234 2.983) 4.277 7.139 ( -1.907 5.080 -2.843) 6.126 7.562 ( 1.256 -0.576 -0.347) 1.425 7.707 ( -2.123 -4.049 2.489) 5.206 7.776 ( -6.620 0.278 -0.159) 6.628 7.914 ( -0.029 2.894 -4.699) 5.519 8.217 ( 5.175 2.010 -1.388) 5.722 8.296 ( -3.717 6.951 2.301) 8.212 8.754 ( 2.562 -2.785 2.292) 4.425 8.828 ( 5.374 -2.866 -5.538) 8.232 8.866 ( 3.943 -4.308 4.024) 7.092 9.054 ( -6.615 -4.853 6.281) 10.333 9.454 ( 6.661 3.209 -0.774) 7.434 9.583 ( 1.740 5.165 -5.176) 7.517 10.090 ( 6.170 -0.412 -0.086) 6.184 10.302 ( -7.346 -2.327 0.969) 7.766 10.490 ( -0.944 0.648 0.720) 1.353 10.594 ( -0.335 2.359 -2.389) 3.374 10.711 ( -2.413 -5.248 1.911) 6.084 10.803 ( -3.323 -2.365 -0.726) 4.143 11.030 ( -0.878 4.237 3.668) 5.673 11.135 ( 3.832 5.473 -4.734) 8.188 11.291 ( 7.378 8.574 1.111) 11.366 11.347 ( 5.197 5.410 0.472) 7.517 11.684 ( 1.621 -1.059 -0.891) 2.132 11.775 ( -5.068 0.738 1.048) 5.227 12.201 ( 1.574 4.298 -0.055) 4.577 12.209 ( 1.318 2.597 -0.078) 2.913 12.817 ( 0.998 -1.683 0.264) 1.975 12.910 ( -3.228 2.014 -0.795) 3.887 13.004 ( 3.370 -2.577 2.433) 4.890 13.214 ( -3.897 -2.167 -2.037) 4.902 16.020 ( -2.188 -0.899 1.559) 2.833 16.090 ( -2.146 -0.291 -1.395) 2.576 17.901 ( 5.075 -2.366 -0.004) 5.600 18.105 ( -7.545 -4.508 0.300) 8.794 18.355 ( 5.703 1.636 -2.377) 6.391 18.475 ( -3.788 1.544 1.171) 4.255 18.767 ( 4.079 1.800 5.031) 6.723 19.056 ( -0.874 7.124 -7.093) 10.091 19.352 ( 5.844 5.166 2.975) 8.348 19.493 ( 7.354 -1.205 -0.315) 7.459 19.531 ( -4.279 2.829 0.494) 5.154 19.852 ( -14.579 -5.653 -0.065) 15.636 21.272 ( 14.752 4.292 0.094) 15.364 21.621 ( -7.644 1.598 0.506) 7.825 21.909 ( -0.351 -0.753 0.882) 1.211 21.980 ( -0.384 -3.077 -3.194) 4.452 22.136 ( 0.362 1.229 3.209) 3.456 22.244 ( -0.446 1.428 -2.361) 2.795 22.970 ( 1.003 -1.754 0.779) 2.166 23.013 ( -0.976 -0.035 0.277) 1.015 23.265 ( -0.885 -3.837 1.457) 4.199 23.323 ( -0.343 -5.298 -1.778) 5.599 ======================= Grid point 158 (64/102) ======================= q-point: (-0.27 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -1.005 0.750 8.178) 8.274 1.580 ( -1.090 18.403 2.693) 18.631 1.652 ( 2.763 3.483 -3.390) 5.591 1.767 ( -1.021 6.903 -6.409) 9.474 2.056 ( -3.366 6.545 2.383) 7.736 2.147 ( 0.282 3.921 -4.393) 5.895 2.296 ( 3.036 5.090 0.991) 6.009 2.415 ( -4.348 3.946 -2.482) 6.375 2.595 ( -5.236 -0.570 2.697) 5.917 2.613 ( 1.969 -2.845 -2.693) 4.385 2.857 ( -1.009 10.264 8.226) 13.192 2.916 ( -0.782 1.377 1.729) 2.344 3.035 ( -2.987 0.490 -1.572) 3.411 3.066 ( 3.767 1.711 -5.461) 6.851 3.160 ( -0.170 -4.590 0.765) 4.656 3.193 ( -0.411 -2.388 -1.137) 2.676 3.263 ( -0.087 -1.290 3.205) 3.456 3.346 ( 0.746 -0.642 -3.205) 3.352 3.491 ( 0.248 -0.492 2.394) 2.456 3.572 ( 3.148 -0.216 -4.220) 5.269 3.652 ( -0.179 -0.948 -0.015) 0.965 3.664 ( 1.143 -0.091 -2.214) 2.493 3.866 ( 1.297 -2.844 3.735) 4.870 3.916 ( -2.710 -4.613 5.002) 7.324 4.014 ( -3.579 3.074 1.488) 4.947 4.050 ( 3.880 -1.283 -4.412) 6.014 4.264 ( 5.877 -1.480 -4.826) 7.747 4.308 ( -7.998 -4.035 1.015) 9.016 4.557 ( -4.063 -1.379 5.559) 7.022 4.639 ( -1.557 -5.620 -1.479) 6.016 4.793 ( 8.275 0.532 -0.416) 8.303 4.887 ( -0.898 0.495 -1.339) 1.687 5.086 ( 1.607 -0.696 -0.674) 1.876 5.108 ( 0.787 -2.484 -1.486) 3.000 5.350 ( 0.357 3.449 1.489) 3.773 5.392 ( 1.391 -4.638 5.150) 7.069 5.449 ( -3.173 0.787 -4.108) 5.250 5.509 ( -1.282 -2.451 -0.478) 2.807 5.570 ( -0.615 0.884 1.891) 2.176 5.693 ( -0.225 6.138 -5.711) 8.387 5.915 ( 4.418 -1.356 7.691) 8.973 6.117 ( -3.845 0.233 -1.665) 4.197 6.198 ( 2.762 1.368 -1.093) 3.270 6.260 ( -1.921 4.502 4.226) 6.467 6.321 ( -1.207 5.379 -5.586) 7.848 6.386 ( -5.238 5.790 -0.851) 7.854 6.784 ( -1.971 2.105 4.450) 5.303 6.845 ( 3.470 -1.798 -0.824) 3.994 6.940 ( -5.232 -2.355 1.513) 5.933 7.014 ( -0.661 5.954 -4.010) 7.209 7.576 ( -0.544 -0.147 3.372) 3.419 7.721 ( -2.486 -0.518 -5.592) 6.141 7.827 ( 1.009 -6.780 1.179) 6.956 7.897 ( 0.444 -1.950 -2.259) 3.017 8.161 ( -6.503 2.615 8.596) 11.092 8.270 ( 7.689 -0.289 -8.585) 11.529 8.810 ( -0.953 -2.827 4.002) 4.991 8.893 ( 2.863 -2.207 -2.737) 4.534 8.989 ( 3.056 -3.724 6.462) 8.060 9.113 ( -3.258 -4.560 3.835) 6.791 9.429 ( 5.032 3.989 -2.783) 6.998 9.503 ( 0.758 2.988 -7.058) 7.701 10.122 ( 4.819 2.436 2.372) 5.898 10.250 ( -6.169 2.592 -0.648) 6.723 10.464 ( -3.123 0.149 2.811) 4.204 10.530 ( 0.741 2.894 -3.400) 4.526 10.786 ( 0.035 -3.475 1.293) 3.708 10.834 ( -2.235 -2.940 -0.907) 3.803 10.981 ( -2.653 0.677 3.311) 4.296 11.054 ( 2.359 5.170 -4.103) 7.009 11.247 ( 3.296 1.264 2.380) 4.258 11.308 ( 3.176 1.956 -1.095) 3.887 11.729 ( 1.351 -2.026 -0.116) 2.438 11.754 ( -2.832 -2.089 0.148) 3.522 12.143 ( 0.484 3.400 0.577) 3.482 12.167 ( -0.131 2.438 -0.630) 2.521 12.799 ( -0.793 3.366 1.285) 3.689 12.833 ( 0.131 3.236 -1.871) 3.741 13.135 ( 1.621 -7.489 3.912) 8.603 13.271 ( -1.264 -6.398 -3.409) 7.358 16.024 ( -2.423 -0.909 3.123) 4.056 16.094 ( 0.227 -1.403 -2.991) 3.312 17.984 ( 7.437 -1.995 0.296) 7.705 18.129 ( -9.168 -4.912 -0.736) 10.427 18.341 ( 4.195 4.864 -0.190) 6.426 18.390 ( -1.807 6.146 0.095) 6.407 18.820 ( 1.678 -4.665 4.445) 6.658 18.951 ( -1.287 1.128 -4.152) 4.491 19.324 ( 5.274 2.955 -0.072) 6.046 19.409 ( -5.181 1.948 0.026) 5.536 19.676 ( 10.018 -6.941 0.460) 12.197 19.864 ( -13.360 -7.027 -0.165) 15.096 21.268 ( 14.024 7.885 0.228) 16.091 21.468 ( -11.411 6.983 -0.323) 13.382 21.968 ( 0.567 -4.251 1.398) 4.511 22.015 ( -0.468 -1.097 -1.393) 1.834 22.122 ( -1.252 1.274 4.039) 4.416 22.228 ( 1.783 -1.066 -5.167) 5.569 22.949 ( -2.291 2.776 4.612) 5.850 23.034 ( 2.247 -1.023 -4.048) 4.742 23.321 ( -1.040 -2.587 4.019) 4.891 23.408 ( 1.756 -4.308 -3.441) 5.786 ======================= Grid point 159 (65/102) ======================= q-point: (-0.18 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -1.677 19.091 4.986) 19.802 1.320 ( -1.334 16.928 0.036) 16.980 1.551 ( 0.623 5.882 4.096) 7.194 1.663 ( -1.939 5.957 -4.138) 7.508 1.948 ( -0.487 5.342 1.676) 5.620 2.135 ( 5.469 4.331 -10.397) 12.520 2.203 ( 3.373 5.021 1.054) 6.140 2.233 ( -1.839 7.199 -1.334) 7.549 2.537 ( -4.257 7.617 7.790) 11.697 2.612 ( -1.681 3.647 -0.358) 4.031 2.743 ( 3.005 3.122 3.233) 5.407 2.879 ( 0.076 5.665 -4.341) 7.137 2.951 ( -3.171 5.854 2.386) 7.072 3.016 ( 1.052 0.336 -2.110) 2.382 3.212 ( -1.110 -1.144 0.449) 1.656 3.255 ( 3.367 -1.631 -2.358) 4.422 3.314 ( -0.583 -3.825 0.179) 3.873 3.341 ( 0.990 -0.583 -1.822) 2.154 3.528 ( -1.328 0.427 1.666) 2.173 3.591 ( 3.127 -2.543 -4.067) 5.725 3.673 ( -3.207 -3.445 0.966) 4.804 3.699 ( 2.954 -1.842 -2.602) 4.347 3.931 ( -0.417 -0.002 3.688) 3.712 3.954 ( 0.705 -0.600 2.579) 2.740 4.003 ( -1.210 -4.955 4.812) 7.012 4.090 ( 0.016 -2.919 -1.582) 3.320 4.295 ( -9.686 -4.941 -0.421) 10.881 4.354 ( 7.042 -2.105 -4.401) 8.567 4.562 ( -0.779 0.269 7.001) 7.049 4.706 ( 1.176 -1.822 -4.399) 4.904 4.800 ( -2.155 4.611 -0.137) 5.092 4.853 ( 5.790 0.484 -3.203) 6.635 5.115 ( -1.516 -2.779 2.179) 3.843 5.177 ( 2.099 -3.299 -2.970) 4.910 5.250 ( -7.219 6.663 5.130) 11.083 5.359 ( 4.005 4.320 -3.099) 6.656 5.481 ( 1.357 -2.206 2.022) 3.285 5.550 ( -0.385 -1.572 -2.622) 3.082 5.587 ( -6.782 0.323 -0.673) 6.823 5.608 ( 5.430 -2.327 -1.274) 6.043 5.935 ( 3.567 3.936 7.896) 9.516 6.068 ( -1.222 4.198 -3.687) 5.719 6.149 ( -2.136 0.934 1.770) 2.927 6.191 ( -5.491 1.930 0.576) 5.849 6.312 ( 11.921 -3.234 -1.870) 12.493 6.365 ( -5.069 -3.863 -4.054) 7.553 6.710 ( -2.704 4.511 6.373) 8.263 6.860 ( 3.124 3.184 -6.202) 7.639 6.924 ( -4.723 -2.341 4.801) 7.130 7.013 ( 2.527 -3.935 -2.581) 5.342 7.579 ( -0.549 0.207 4.433) 4.471 7.711 ( 1.671 -0.388 -7.311) 7.509 7.939 ( -1.213 -1.778 -0.013) 2.152 7.966 ( 1.858 -7.114 -1.914) 7.597 8.133 ( -5.520 -3.297 9.082) 11.128 8.317 ( 5.918 -1.332 -7.830) 9.905 8.850 ( -2.905 -2.164 3.933) 5.346 8.935 ( 1.924 -0.998 -1.617) 2.704 9.061 ( -4.094 -2.875 9.642) 10.863 9.168 ( 0.058 -2.161 3.408) 4.036 9.383 ( 3.524 3.746 -4.180) 6.627 9.465 ( -0.281 -0.016 -8.318) 8.322 10.078 ( 1.050 4.390 2.973) 5.405 10.135 ( -1.605 6.190 -1.630) 6.599 10.468 ( -2.221 -2.265 2.189) 3.854 10.523 ( 2.796 -0.615 -2.455) 3.771 10.818 ( -2.849 -0.514 1.969) 3.501 10.869 ( 4.124 -1.019 -2.602) 4.981 10.971 ( -3.099 -0.532 1.964) 3.707 10.999 ( 1.126 0.719 -0.508) 1.430 11.278 ( 0.224 -2.056 1.518) 2.565 11.315 ( -0.007 -1.265 -1.579) 2.023 11.770 ( -0.388 -3.431 1.369) 3.715 11.809 ( 0.867 -3.830 -1.962) 4.390 12.089 ( -0.283 2.898 1.640) 3.342 12.123 ( 0.048 2.216 -1.279) 2.559 12.737 ( -0.902 2.810 1.750) 3.431 12.782 ( 0.858 2.575 -2.053) 3.403 13.288 ( -0.216 -8.012 4.192) 9.045 13.383 ( 0.269 -7.240 -3.920) 8.237 16.030 ( -2.488 -0.952 4.276) 5.038 16.130 ( 2.451 -2.507 -4.140) 5.425 18.070 ( 5.652 -0.304 2.037) 6.016 18.125 ( -9.361 -1.578 -1.939) 9.689 18.225 ( 2.211 9.421 1.078) 9.737 18.266 ( 1.765 5.592 -1.314) 6.009 18.964 ( -6.565 -10.798 1.941) 12.785 19.003 ( 6.095 -6.364 -1.312) 8.909 19.330 ( 4.456 0.464 1.643) 4.772 19.380 ( -4.595 -3.187 -2.561) 6.150 19.869 ( 0.691 -7.012 1.975) 7.318 19.914 ( -0.430 -7.483 -1.789) 7.705 21.208 ( 13.923 11.151 0.422) 17.843 21.221 ( -14.056 9.767 -0.353) 17.120 21.996 ( 0.620 2.934 0.417) 3.028 22.002 ( -0.318 2.461 -0.124) 2.484 22.129 ( -2.684 -4.479 5.747) 7.765 22.292 ( 3.628 -4.520 -8.408) 10.212 22.885 ( -3.193 3.379 7.667) 8.967 23.045 ( 2.693 0.636 -6.653) 7.205 23.355 ( -1.726 -1.067 6.006) 6.339 23.479 ( 1.123 -3.120 -4.788) 5.824 ======================= Grid point 160 (66/102) ======================= q-point: (-0.09 0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.804 13.787 -2.580) 14.049 0.998 ( 7.038 16.412 -0.433) 17.863 1.411 ( -1.728 11.250 1.677) 11.505 1.501 ( 5.793 11.697 -3.144) 13.426 1.849 ( 2.024 8.907 5.927) 10.888 1.948 ( 3.448 16.423 -1.014) 16.811 2.083 ( -1.853 7.119 4.556) 8.653 2.164 ( 6.043 9.982 3.593) 12.209 2.482 ( -2.084 -1.521 -1.999) 3.263 2.520 ( 1.800 -1.130 -2.155) 3.026 2.714 ( 7.476 7.538 -2.626) 10.937 2.726 ( 1.601 7.557 -7.377) 10.681 2.877 ( -0.025 3.127 3.943) 5.033 2.994 ( 4.591 3.159 -2.350) 6.048 3.194 ( -5.941 0.036 2.081) 6.295 3.304 ( -1.327 -1.088 0.659) 1.838 3.344 ( -1.348 -2.768 1.262) 3.328 3.383 ( 3.574 0.355 -1.989) 4.105 3.516 ( -3.554 -3.479 2.444) 5.541 3.652 ( 1.814 -2.361 -4.001) 4.987 3.724 ( -0.062 -2.029 0.886) 2.215 3.731 ( -1.188 -2.153 -2.937) 3.830 3.891 ( -4.696 0.798 1.387) 4.961 4.026 ( 6.592 -3.282 -1.989) 7.628 4.075 ( -8.479 -1.932 1.472) 8.820 4.141 ( 2.611 -3.002 4.578) 6.065 4.322 ( -9.501 -6.831 -0.525) 11.714 4.452 ( 6.175 -3.317 3.168) 7.692 4.585 ( 2.783 -0.789 4.013) 4.947 4.672 ( -4.962 1.872 -5.091) 7.351 4.723 ( 0.035 1.232 -0.734) 1.435 4.883 ( 5.290 1.035 -3.293) 6.317 5.071 ( -7.300 6.344 2.932) 10.107 5.158 ( -2.272 -2.580 1.037) 3.591 5.243 ( -1.056 -4.099 -1.148) 4.386 5.367 ( 13.934 1.998 -5.492) 15.110 5.458 ( -6.396 1.045 2.708) 7.023 5.536 ( -9.533 -1.022 1.654) 9.729 5.581 ( 0.165 -0.665 -0.809) 1.060 5.698 ( 5.133 -0.488 -0.768) 5.213 5.914 ( 5.281 2.934 5.230) 7.990 5.986 ( 1.139 1.426 -5.081) 5.399 6.140 ( -2.752 1.673 1.248) 3.454 6.180 ( 3.417 -2.979 0.122) 4.535 6.357 ( -8.640 -1.977 -3.439) 9.507 6.493 ( 16.208 -3.943 0.158) 16.682 6.646 ( -1.167 0.891 4.767) 4.988 6.829 ( 4.314 1.669 -5.436) 7.138 6.975 ( -0.072 -3.777 4.407) 5.804 7.093 ( 3.399 -2.458 -2.124) 4.702 7.573 ( 1.037 1.922 4.232) 4.762 7.720 ( 4.164 0.618 -7.543) 8.638 7.952 ( -3.448 -3.415 2.715) 5.561 8.080 ( 2.427 -4.441 -3.031) 5.899 8.217 ( -3.599 -6.136 6.305) 9.505 8.390 ( 2.539 -5.790 -4.810) 7.944 8.861 ( -3.237 -1.027 2.233) 4.065 8.939 ( 1.311 1.803 -1.080) 2.477 9.066 ( -6.235 -0.564 8.681) 10.703 9.219 ( -2.843 -2.774 9.262) 10.078 9.338 ( 5.599 3.347 -6.969) 9.546 9.441 ( -2.766 0.479 -4.760) 5.526 10.019 ( -2.471 2.391 -1.427) 3.723 10.074 ( 5.304 -0.759 -0.774) 5.414 10.512 ( 0.542 -2.733 1.037) 2.973 10.545 ( 1.430 -0.029 -1.359) 1.973 10.775 ( -8.352 0.861 0.258) 8.401 10.895 ( 3.998 2.112 1.473) 4.756 10.986 ( 1.091 -1.494 1.864) 2.626 11.041 ( 2.982 -4.007 -1.498) 5.215 11.315 ( -1.601 -1.664 -1.195) 2.600 11.331 ( 1.366 -1.199 0.548) 1.898 11.841 ( -2.112 -4.002 -0.346) 4.538 11.904 ( 5.739 -6.057 -0.656) 8.370 12.048 ( -0.298 1.963 1.346) 2.399 12.088 ( 0.882 1.515 -1.016) 2.026 12.698 ( -1.126 1.362 1.952) 2.633 12.747 ( 0.376 1.508 -1.686) 2.293 13.426 ( -1.235 -7.278 3.016) 7.974 13.501 ( -0.226 -6.582 -3.324) 7.377 16.039 ( -2.221 -0.901 5.013) 5.557 16.211 ( 5.488 -5.015 -4.409) 8.643 17.991 ( -1.086 8.840 1.408) 9.017 18.033 ( -11.140 2.245 -2.777) 11.699 18.064 ( -2.311 9.025 3.376) 9.909 18.339 ( 17.003 -3.631 -2.047) 17.507 19.097 ( -8.804 -11.816 -0.426) 14.742 19.200 ( 4.536 -7.994 0.683) 9.216 19.386 ( -0.311 -6.115 1.564) 6.320 19.456 ( 3.948 -6.135 -2.511) 7.715 19.945 ( -8.696 -8.183 0.516) 11.952 20.101 ( 10.091 -6.144 -0.677) 11.834 20.897 ( -14.381 13.935 0.185) 20.026 21.104 ( 13.946 13.165 0.403) 19.183 21.927 ( -0.673 3.937 -0.452) 4.019 21.938 ( 1.892 4.679 1.144) 5.175 22.220 ( -2.452 -5.765 3.954) 7.408 22.379 ( 3.471 -4.163 -8.408) 10.003 22.823 ( -3.963 2.706 9.618) 10.748 23.021 ( 1.986 2.389 -7.625) 8.234 23.352 ( -3.300 1.344 7.587) 8.382 23.497 ( -2.617 -0.245 -6.795) 7.285 ======================= Grid point 165 (67/102) ======================= q-point: ( 0.27 0.27 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 12.944 0.000 10.450) 16.636 1.173 ( 14.706 0.000 2.826) 14.975 1.287 ( 19.718 0.000 -4.340) 20.190 1.439 ( 22.878 0.000 -7.465) 24.065 2.025 ( 10.608 0.000 -1.161) 10.671 2.096 ( 27.619 0.000 3.070) 27.789 2.201 ( 15.087 0.000 -9.491) 17.824 2.398 ( 1.347 0.000 8.427) 8.534 2.502 ( 7.913 0.000 1.106) 7.990 2.543 ( -7.243 -0.000 6.650) 9.833 2.547 ( 2.582 0.000 -4.987) 5.616 2.620 ( -6.850 -0.000 -3.503) 7.694 2.873 ( 1.971 0.000 -0.212) 1.982 3.041 ( 7.092 0.000 -1.496) 7.248 3.093 ( -1.420 -0.000 -4.161) 4.397 3.213 ( -2.082 -0.000 4.195) 4.684 3.368 ( -4.938 -0.000 -4.054) 6.389 3.474 ( 5.453 0.000 4.377) 6.992 3.527 ( -3.173 -0.000 6.009) 6.795 3.539 ( -2.661 -0.000 -5.793) 6.375 3.684 ( 0.740 0.000 3.163) 3.249 3.684 ( 0.267 0.000 -3.732) 3.742 3.912 ( -0.984 -0.000 -4.135) 4.250 4.000 ( 5.663 0.000 3.304) 6.556 4.192 ( 1.793 0.000 1.344) 2.241 4.193 ( -17.109 -0.000 3.858) 17.539 4.326 ( -3.088 -0.000 -5.047) 5.917 4.417 ( -3.000 -0.000 2.949) 4.206 4.558 ( -9.799 -0.000 0.166) 9.801 4.658 ( -4.351 -0.000 -0.920) 4.447 4.838 ( 4.992 0.000 -4.894) 6.991 4.859 ( -9.673 -0.000 1.674) 9.817 4.979 ( 0.023 0.000 -1.323) 1.323 4.999 ( -5.002 -0.000 -0.081) 5.003 5.101 ( 0.930 0.000 0.974) 1.346 5.211 ( -5.945 -0.000 -5.433) 8.054 5.252 ( -9.265 -0.000 -1.148) 9.336 5.280 ( -1.337 -0.000 4.213) 4.420 5.375 ( -8.703 -0.000 12.158) 14.952 5.735 ( 0.456 0.000 -11.634) 11.643 5.877 ( 7.033 0.000 -3.339) 7.786 5.902 ( -1.665 -0.000 4.649) 4.938 6.133 ( -7.082 -0.000 5.384) 8.896 6.249 ( -0.149 -0.000 -1.588) 1.595 6.601 ( 6.391 0.000 -1.762) 6.629 6.838 ( 10.875 0.000 1.402) 10.965 6.945 ( 0.474 0.000 0.842) 0.966 6.969 ( 8.519 0.000 -2.600) 8.907 7.283 ( 6.299 0.000 1.915) 6.584 7.463 ( 2.145 0.000 -0.908) 2.329 7.758 ( -2.723 -0.000 -2.910) 3.985 7.855 ( 10.698 0.000 -5.345) 11.959 7.958 ( -3.105 -0.000 5.858) 6.630 8.363 ( -10.865 -0.000 -3.057) 11.287 8.432 ( 1.176 0.000 -5.136) 5.269 8.512 ( -10.072 -0.000 10.728) 14.715 8.683 ( -1.869 -0.000 -1.445) 2.362 8.687 ( -1.223 -0.000 -3.409) 3.622 9.282 ( -0.082 -0.000 13.253) 13.254 9.471 ( 5.327 0.000 -9.339) 10.751 9.543 ( 8.184 0.000 -2.589) 8.584 9.598 ( 2.402 0.000 0.534) 2.460 10.131 ( -12.553 -0.000 1.276) 12.618 10.164 ( -0.289 -0.000 0.929) 0.973 10.235 ( 3.084 0.000 -8.925) 9.442 10.405 ( -3.529 -0.000 7.133) 7.958 10.821 ( 2.017 0.000 2.699) 3.369 10.841 ( 3.538 0.000 0.601) 3.589 11.038 ( 10.499 0.000 1.595) 10.619 11.372 ( 6.290 0.000 1.597) 6.490 11.460 ( -5.028 -0.000 -6.276) 8.042 11.503 ( 8.123 0.000 3.960) 9.037 11.788 ( -5.809 -0.000 -0.417) 5.823 11.834 ( -1.095 -0.000 -0.114) 1.101 12.554 ( -1.095 -0.000 0.352) 1.150 12.554 ( -2.133 -0.000 -0.879) 2.307 12.989 ( 14.668 0.000 6.865) 16.195 13.014 ( 10.884 0.000 -5.918) 12.389 13.499 ( -4.366 -0.000 0.657) 4.415 13.504 ( -4.385 -0.000 -1.156) 4.534 16.050 ( -4.799 -0.000 1.245) 4.958 16.470 ( -21.766 -0.000 2.561) 21.916 17.840 ( 8.958 0.000 -1.458) 9.076 17.866 ( 8.858 0.000 1.999) 9.081 18.400 ( 8.764 0.000 5.320) 10.252 18.454 ( 6.869 0.000 -4.769) 8.362 19.013 ( -12.827 -0.000 1.728) 12.943 19.019 ( -10.306 -0.000 -2.236) 10.546 19.878 ( 0.632 0.000 0.407) 0.752 19.917 ( -5.400 -0.000 0.791) 5.458 20.203 ( -1.375 -0.000 5.083) 5.266 20.616 ( 13.180 0.000 -17.574) 21.967 20.993 ( 20.372 0.000 -4.925) 20.959 21.008 ( 10.894 0.000 11.564) 15.888 21.944 ( -0.290 -0.000 2.299) 2.317 22.068 ( 7.312 0.000 -1.725) 7.513 22.318 ( -11.540 -0.000 13.429) 17.706 22.401 ( 0.103 0.000 -3.155) 3.157 22.443 ( 1.028 0.000 -0.855) 1.337 22.714 ( -7.009 -0.000 -6.107) 9.296 22.819 ( -6.005 -0.000 1.543) 6.200 22.842 ( -5.275 -0.000 0.517) 5.301 ======================= Grid point 166 (68/102) ======================= q-point: ( 0.36 0.27 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 15.215 -3.711 2.739) 15.899 1.373 ( 10.782 -6.906 0.939) 12.838 1.419 ( 14.713 -1.202 2.263) 14.934 1.589 ( 20.678 0.333 -7.374) 21.957 2.022 ( 5.390 3.274 1.735) 6.541 2.212 ( -2.699 7.851 5.060) 9.723 2.320 ( -0.042 -0.677 0.383) 0.779 2.348 ( 20.503 -5.653 -5.260) 21.909 2.524 ( 2.129 -1.614 1.692) 3.162 2.598 ( -7.034 -7.404 0.554) 10.228 2.655 ( -3.281 -6.483 2.297) 7.620 2.716 ( 16.193 -6.838 -5.720) 18.485 2.878 ( 4.414 1.022 -2.785) 5.318 3.042 ( 3.849 2.436 -0.789) 4.623 3.113 ( -1.374 -1.801 -0.061) 2.266 3.229 ( 1.730 -0.761 5.760) 6.062 3.293 ( -4.265 2.325 -3.438) 5.951 3.456 ( 0.635 3.591 2.030) 4.174 3.496 ( -5.034 0.305 -1.242) 5.194 3.581 ( 2.685 -2.615 0.894) 3.853 3.650 ( -2.315 3.249 -1.041) 4.122 3.722 ( 6.606 -1.480 0.133) 6.771 3.850 ( -1.395 4.595 -3.094) 5.713 4.002 ( 3.268 4.105 4.780) 7.098 4.038 ( -12.002 3.509 1.255) 12.568 4.222 ( -3.822 2.256 1.465) 4.674 4.263 ( -0.651 0.070 -3.073) 3.142 4.413 ( -4.425 1.223 -0.367) 4.606 4.502 ( -5.788 0.451 3.890) 6.988 4.586 ( -0.973 0.804 -1.947) 2.320 4.738 ( -3.514 1.197 -5.547) 6.674 4.878 ( -2.801 2.743 0.626) 3.970 4.961 ( -9.492 -1.549 0.742) 9.646 5.016 ( -4.333 -4.968 -1.560) 6.774 5.133 ( -4.435 1.172 -0.754) 4.649 5.138 ( -1.926 -0.159 0.798) 2.091 5.242 ( -4.801 -4.891 -1.080) 6.938 5.301 ( 1.151 -0.493 5.481) 5.622 5.342 ( -6.028 -4.649 4.242) 8.715 5.729 ( 1.144 0.527 -7.055) 7.167 5.873 ( 0.016 -1.755 -0.420) 1.805 5.993 ( 1.106 -3.810 1.342) 4.188 6.108 ( -0.051 -1.005 1.090) 1.483 6.259 ( -0.123 -1.426 1.049) 1.774 6.644 ( 6.673 0.316 -1.645) 6.880 6.896 ( 4.173 1.502 3.612) 5.720 6.919 ( 6.636 2.068 -2.006) 7.234 7.066 ( 1.927 -3.623 -0.154) 4.106 7.308 ( 5.771 2.365 -1.285) 6.368 7.484 ( 0.202 -0.442 -2.304) 2.354 7.715 ( -3.815 2.069 -0.919) 4.437 7.844 ( 6.057 4.175 -0.938) 7.416 7.980 ( -0.697 0.097 4.007) 4.069 8.246 ( -11.129 3.120 -3.926) 12.207 8.381 ( -3.927 4.906 2.347) 6.708 8.411 ( 2.250 3.411 0.312) 4.098 8.660 ( -2.979 -1.151 -1.370) 3.475 8.745 ( -4.010 -4.676 -0.475) 6.178 9.315 ( -1.062 1.291 10.708) 10.838 9.367 ( 3.486 9.358 -1.222) 10.060 9.480 ( -2.539 9.003 1.414) 9.461 9.649 ( 9.988 -1.195 -8.789) 13.358 10.056 ( -5.033 -0.323 1.324) 5.214 10.142 ( -1.459 1.774 1.703) 2.860 10.292 ( 6.281 -3.088 -9.033) 11.427 10.428 ( -3.932 -3.194 6.116) 7.941 10.781 ( 3.972 4.160 0.985) 5.835 10.884 ( 0.206 0.466 1.901) 1.968 11.149 ( 10.820 -3.081 0.786) 11.277 11.409 ( 2.001 0.666 -4.524) 4.991 11.465 ( 2.043 -2.992 0.214) 3.629 11.534 ( 5.734 2.318 3.667) 7.190 11.744 ( -4.285 0.301 -1.071) 4.427 11.841 ( -1.802 -1.667 0.122) 2.458 12.533 ( -1.556 -0.648 -0.291) 1.710 12.577 ( -1.289 -2.883 -0.038) 3.158 12.892 ( 10.618 15.025 0.288) 18.400 13.043 ( 12.445 11.237 0.818) 16.787 13.400 ( -6.792 2.560 -0.643) 7.287 13.485 ( -4.400 2.205 -0.228) 4.927 16.016 ( -5.710 -0.446 1.463) 5.912 16.304 ( -17.215 2.006 0.116) 17.332 17.823 ( 9.093 5.787 -0.118) 10.779 17.974 ( 5.730 -2.588 0.296) 6.295 18.244 ( 13.408 7.285 0.113) 15.259 18.758 ( -0.210 -7.524 1.065) 7.602 18.926 ( -7.897 1.348 -1.239) 8.107 19.022 ( -14.058 -13.017 0.349) 19.162 19.718 ( -3.939 12.650 1.329) 13.315 19.850 ( -1.469 6.553 -1.754) 6.941 20.095 ( 1.613 11.844 7.470) 14.095 20.570 ( 10.554 10.313 -14.370) 20.598 21.084 ( 14.603 0.037 2.338) 14.789 21.218 ( 9.633 -7.798 3.589) 12.903 21.892 ( 1.852 3.749 0.435) 4.204 22.057 ( 3.972 1.545 1.925) 4.677 22.300 ( -1.535 5.780 -2.757) 6.585 22.403 ( -5.852 -4.587 2.381) 7.807 22.545 ( -0.606 -8.798 2.092) 9.063 22.734 ( -2.724 -5.078 -1.219) 5.890 22.819 ( -8.050 -8.621 -1.811) 11.933 22.874 ( -5.817 -5.625 1.063) 8.162 ======================= Grid point 167 (69/102) ======================= q-point: ( 0.45 0.27 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 8.556 -3.843 2.224) 9.640 1.460 ( 15.723 1.973 -3.398) 16.206 1.594 ( 6.820 -4.985 -0.962) 8.502 1.699 ( 6.996 -4.182 1.761) 8.338 2.025 ( 0.569 1.145 4.507) 4.685 2.117 ( 3.277 -0.453 -1.135) 3.498 2.347 ( 2.645 -1.310 -2.405) 3.807 2.538 ( 1.693 -2.042 2.021) 3.335 2.589 ( 4.808 -6.461 -4.452) 9.202 2.664 ( -11.333 -3.646 0.374) 11.911 2.745 ( 6.579 -4.879 -0.301) 8.196 2.877 ( 2.085 0.113 2.512) 3.266 2.954 ( 11.142 -4.214 -6.823) 13.727 3.060 ( 6.447 -1.348 1.247) 6.703 3.093 ( -5.294 0.375 4.121) 6.719 3.196 ( -5.213 1.045 0.028) 5.317 3.325 ( 7.513 -1.963 0.666) 7.794 3.371 ( -2.418 4.143 1.392) 4.995 3.481 ( -1.878 -2.065 -3.101) 4.172 3.558 ( -3.325 2.718 -1.234) 4.468 3.636 ( -0.173 -0.817 4.192) 4.274 3.743 ( 1.438 6.417 -2.529) 7.045 3.779 ( 4.225 1.995 -1.078) 4.795 3.938 ( -1.794 1.287 -0.961) 2.408 3.973 ( 3.101 0.813 3.749) 4.933 4.092 ( -5.915 6.029 0.130) 8.447 4.259 ( -0.790 2.846 -0.844) 3.071 4.347 ( -4.045 0.289 -1.399) 4.290 4.415 ( -7.508 3.222 3.071) 8.728 4.605 ( -4.776 -2.662 -1.091) 5.575 4.725 ( 2.433 -0.744 -7.722) 8.130 4.808 ( -3.091 2.080 4.109) 5.546 4.936 ( -8.007 -2.442 1.152) 8.450 5.025 ( -6.792 -2.934 -0.894) 7.453 5.069 ( -2.286 3.272 3.813) 5.519 5.118 ( -2.966 -3.143 -2.079) 4.796 5.324 ( -1.012 -5.947 2.688) 6.604 5.399 ( -2.533 -6.451 0.800) 6.977 5.437 ( 3.399 -6.381 -0.373) 7.240 5.714 ( 3.083 0.851 -1.941) 3.741 5.907 ( -3.086 -1.905 -0.697) 3.693 6.016 ( -3.328 -1.605 0.248) 3.703 6.190 ( 5.606 -3.505 0.755) 6.654 6.310 ( 2.171 -3.408 0.164) 4.044 6.675 ( 5.666 1.055 -1.188) 5.884 6.876 ( -0.120 1.758 0.358) 1.798 6.939 ( 7.854 3.082 1.025) 8.499 7.113 ( -1.045 -1.506 0.970) 2.074 7.264 ( 1.738 5.954 -0.962) 6.277 7.414 ( -1.860 7.773 -3.678) 8.798 7.637 ( -0.649 3.587 0.726) 3.717 7.826 ( 1.888 3.432 1.891) 4.349 7.939 ( -1.950 2.649 1.777) 3.739 8.085 ( -9.068 4.356 -5.608) 11.517 8.321 ( 0.012 0.800 2.067) 2.217 8.417 ( 4.324 -1.596 -0.208) 4.613 8.672 ( -0.674 -1.878 -2.271) 3.023 8.770 ( -6.314 -2.537 1.907) 7.067 9.107 ( -0.998 14.969 3.153) 15.330 9.232 ( -3.691 12.836 -1.099) 13.401 9.416 ( 4.051 -1.731 7.540) 8.733 9.720 ( 7.711 -0.925 -8.204) 11.297 10.060 ( -0.456 -0.944 0.864) 1.359 10.119 ( -0.186 -0.434 1.786) 1.847 10.374 ( 5.876 -2.936 -7.625) 10.064 10.467 ( -4.805 -3.462 5.190) 7.874 10.740 ( 3.515 3.845 0.410) 5.226 10.848 ( -1.897 2.490 1.111) 3.322 11.276 ( 7.960 -1.795 -0.984) 8.219 11.401 ( 3.765 1.346 0.759) 4.070 11.460 ( 4.506 5.594 -0.884) 7.238 11.589 ( 3.673 -2.422 1.752) 4.736 11.711 ( -2.025 0.564 -1.353) 2.500 11.854 ( -3.339 -1.442 0.433) 3.662 12.554 ( 1.795 -0.727 -0.017) 1.936 12.637 ( -1.679 -4.410 -0.211) 4.723 12.680 ( 8.230 14.590 0.635) 16.763 12.830 ( 8.639 19.605 -0.103) 21.424 13.310 ( -6.566 3.084 0.535) 7.275 13.376 ( -4.509 4.941 -1.193) 6.795 15.993 ( -4.495 -0.992 1.071) 4.726 16.168 ( -11.165 1.323 -0.527) 11.255 17.805 ( 7.790 2.870 -0.050) 8.302 18.026 ( 0.071 -0.869 0.077) 0.875 18.295 ( 13.994 0.673 0.230) 14.012 18.743 ( -4.755 3.745 0.144) 6.055 18.860 ( -2.565 0.887 0.079) 2.716 19.188 ( -12.400 -12.398 -1.133) 17.571 19.490 ( -3.745 7.670 1.823) 8.728 19.667 ( -3.302 10.318 -5.819) 12.297 19.904 ( 5.401 13.985 11.931) 19.160 20.375 ( 7.090 15.666 -9.821) 19.803 21.200 ( 13.848 -0.772 1.345) 13.935 21.406 ( 3.674 -6.899 2.427) 8.184 21.881 ( 2.726 -0.234 -1.283) 3.022 22.094 ( 0.895 -1.906 0.850) 2.271 22.168 ( -1.308 6.276 0.096) 6.412 22.383 ( -3.504 2.189 -2.788) 4.984 22.691 ( -0.285 -7.530 4.490) 8.772 22.842 ( -0.525 -7.764 -2.177) 8.081 22.934 ( -7.525 -9.163 0.720) 11.879 22.956 ( -5.828 -8.753 -0.668) 10.536 ======================= Grid point 168 (70/102) ======================= q-point: ( 0.55 0.27 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 1.108 0.058 4.757) 4.885 1.517 ( 9.962 3.743 -6.424) 12.430 1.748 ( 8.434 -7.158 -2.769) 11.403 1.875 ( -1.891 -11.078 2.170) 11.446 2.040 ( 2.653 -0.857 5.075) 5.790 2.183 ( 1.464 -2.792 -1.585) 3.529 2.413 ( 4.999 -3.380 -2.594) 6.569 2.541 ( 0.549 1.384 0.566) 1.593 2.603 ( -5.596 2.208 -1.104) 6.117 2.692 ( -2.861 -2.904 -3.337) 5.268 2.777 ( -6.263 5.191 10.007) 12.896 2.880 ( 8.766 -1.061 -4.124) 9.746 3.038 ( -1.683 -1.211 0.864) 2.246 3.082 ( 7.066 -1.272 -3.096) 7.819 3.156 ( -2.101 -1.668 0.646) 2.759 3.177 ( 0.657 -1.974 -1.507) 2.568 3.333 ( -0.997 0.093 3.798) 3.928 3.433 ( 8.159 -4.005 0.069) 9.089 3.499 ( -4.352 -1.413 -2.578) 5.252 3.537 ( -0.652 -1.900 -0.180) 2.017 3.593 ( 1.908 4.546 1.378) 5.119 3.672 ( 0.773 3.380 -1.973) 3.989 3.743 ( -1.262 0.121 -0.136) 1.275 3.882 ( -6.983 2.390 3.499) 8.168 3.969 ( 0.438 4.820 -1.718) 5.136 4.037 ( 5.761 -1.287 -1.269) 6.037 4.175 ( -1.074 2.704 -0.029) 2.910 4.281 ( -3.807 2.868 0.470) 4.790 4.387 ( -5.089 -3.682 0.636) 6.313 4.565 ( -9.782 0.646 -1.975) 10.000 4.741 ( 1.834 0.448 0.652) 1.997 4.804 ( 2.215 -2.385 -0.561) 3.303 4.954 ( -2.630 -3.391 2.185) 4.815 5.051 ( 0.712 -2.507 2.127) 3.364 5.070 ( -5.698 -6.319 1.340) 8.614 5.150 ( -1.257 -2.093 -4.913) 5.486 5.419 ( -0.085 -3.870 2.552) 4.637 5.487 ( -2.160 -5.830 1.698) 6.445 5.557 ( 4.950 -3.020 -2.974) 6.517 5.745 ( 3.517 -1.567 -0.172) 3.855 5.884 ( -2.529 1.493 1.308) 3.214 6.031 ( -3.307 -2.935 -1.993) 4.851 6.271 ( 2.142 -1.254 4.153) 4.838 6.393 ( 3.064 -3.341 -3.062) 5.471 6.681 ( 3.920 2.127 -0.372) 4.475 6.827 ( -1.033 3.549 -2.973) 4.744 6.924 ( 5.048 4.721 5.464) 8.811 7.091 ( -1.687 6.603 0.703) 6.851 7.130 ( 0.451 7.612 -2.941) 8.173 7.223 ( -3.487 7.077 -0.488) 7.905 7.592 ( 1.482 2.187 0.364) 2.667 7.743 ( -0.990 5.261 1.791) 5.645 7.847 ( -6.551 4.298 0.683) 7.865 7.993 ( -1.514 0.911 -7.510) 7.715 8.340 ( 1.710 -0.096 3.940) 4.297 8.491 ( 1.626 -2.062 -1.424) 2.987 8.705 ( 4.422 -1.428 -3.398) 5.757 8.746 ( -6.411 1.044 3.989) 7.623 8.875 ( -0.422 9.188 3.117) 9.711 9.010 ( -3.061 7.267 -0.604) 7.909 9.496 ( 5.151 -1.312 5.194) 7.431 9.738 ( 3.126 2.010 -6.073) 7.120 10.076 ( 3.830 0.042 0.222) 3.837 10.161 ( -2.095 -3.890 0.698) 4.473 10.448 ( 5.585 -2.461 -6.099) 8.628 10.504 ( -6.391 -4.202 4.674) 8.964 10.698 ( 2.791 3.424 0.044) 4.418 10.791 ( -3.558 1.542 0.439) 3.902 11.267 ( 2.479 5.926 0.665) 6.458 11.371 ( 3.515 7.036 -2.465) 8.242 11.449 ( 7.479 0.076 3.132) 8.108 11.616 ( 3.300 3.258 -0.292) 4.646 11.690 ( 0.955 0.966 -1.160) 1.786 11.832 ( -5.256 0.773 0.504) 5.337 12.436 ( 7.363 13.278 0.053) 15.183 12.531 ( 1.856 15.589 -0.168) 15.700 12.658 ( 0.616 -4.154 1.280) 4.390 12.739 ( 0.779 -5.975 -0.959) 6.102 13.184 ( -4.140 6.244 1.572) 7.656 13.269 ( -3.984 3.576 -2.108) 5.754 15.990 ( -2.197 -1.105 0.720) 2.563 16.091 ( -6.590 0.174 -0.427) 6.606 17.834 ( 6.409 -0.097 0.005) 6.409 18.017 ( -4.659 -0.564 -0.006) 4.693 18.375 ( 9.784 0.734 0.468) 9.823 18.609 ( -4.923 6.231 -1.420) 8.067 18.858 ( 3.652 0.878 3.355) 5.037 19.231 ( -4.877 -1.479 -3.905) 6.420 19.439 ( -3.437 -0.581 -0.176) 3.490 19.470 ( -5.581 2.876 -4.619) 7.794 19.739 ( 3.812 11.783 12.478) 17.580 20.098 ( 2.401 17.109 -6.778) 18.559 21.316 ( 13.335 -0.750 0.513) 13.366 21.521 ( -1.925 -4.963 1.810) 5.622 21.913 ( 2.400 -1.167 -2.051) 3.366 22.024 ( -4.026 4.823 -1.432) 6.444 22.155 ( 0.722 -0.422 4.180) 4.263 22.306 ( -1.436 2.747 -3.746) 4.862 22.825 ( 1.412 -5.882 3.620) 7.050 22.946 ( -0.273 -4.735 -2.596) 5.407 23.051 ( -6.252 -9.093 2.453) 11.305 23.071 ( -2.352 -8.262 -2.011) 8.823 ======================= Grid point 169 (71/102) ======================= q-point: ( 0.64 0.27 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 1.329 -1.101 1.057) 2.024 1.534 ( 7.007 -1.022 -6.604) 9.683 1.876 ( -0.242 -2.696 3.427) 4.366 1.963 ( -2.930 -0.372 -2.274) 3.728 2.153 ( 1.758 -6.489 6.250) 9.179 2.237 ( 0.944 -4.704 -1.532) 5.036 2.421 ( -0.938 8.047 3.329) 8.759 2.506 ( -0.031 5.242 -2.882) 5.982 2.523 ( 2.041 2.145 0.115) 2.963 2.606 ( -8.652 0.004 0.813) 8.691 2.805 ( 6.707 -5.233 0.088) 8.507 2.934 ( -1.814 -3.296 -2.456) 4.493 3.051 ( 1.355 0.643 2.092) 2.574 3.128 ( 4.464 2.978 -3.536) 6.427 3.146 ( -1.320 -0.933 1.351) 2.107 3.205 ( -1.144 -2.457 -1.539) 3.117 3.307 ( -1.280 3.064 3.023) 4.491 3.410 ( -0.251 11.025 -2.770) 11.371 3.483 ( -3.557 -0.799 2.247) 4.282 3.552 ( 2.902 0.034 -4.103) 5.026 3.614 ( 5.651 -4.436 -1.683) 7.379 3.682 ( -5.326 -4.532 1.111) 7.081 3.737 ( -1.267 1.029 4.121) 4.432 3.836 ( -1.277 -0.321 -1.258) 1.821 3.952 ( 3.911 -2.675 1.728) 5.043 4.052 ( -0.831 -1.069 -2.328) 2.693 4.208 ( 4.280 -2.476 -1.757) 5.247 4.211 ( -4.051 1.925 2.154) 4.975 4.431 ( -3.640 -4.765 0.794) 6.048 4.492 ( -6.684 -0.935 -1.707) 6.962 4.755 ( -0.944 -1.205 5.995) 6.188 4.863 ( 4.301 -1.306 -5.139) 6.827 5.007 ( 1.153 -2.335 1.676) 3.097 5.115 ( -2.176 -1.135 -4.189) 4.855 5.168 ( -4.009 -7.253 4.140) 9.264 5.191 ( 3.151 -6.728 -1.060) 7.505 5.468 ( 1.670 -0.771 1.218) 2.206 5.558 ( -4.175 -2.888 0.797) 5.139 5.595 ( 5.585 1.679 -0.099) 5.833 5.781 ( -3.143 -1.117 -4.628) 5.705 5.870 ( 4.869 0.146 5.200) 7.126 6.056 ( -3.680 -3.131 -4.133) 6.358 6.269 ( 0.311 3.094 6.179) 6.918 6.428 ( 0.450 1.022 -4.766) 4.895 6.644 ( 1.715 6.914 1.866) 7.364 6.722 ( -1.700 5.102 -1.240) 5.519 6.848 ( 2.172 6.064 -0.140) 6.443 6.888 ( -3.400 11.129 0.184) 11.638 7.018 ( 4.458 4.762 1.755) 6.755 7.164 ( -3.832 0.613 -1.528) 4.170 7.582 ( 2.164 0.477 0.094) 2.218 7.669 ( -0.976 1.881 -0.783) 2.259 7.750 ( -5.193 1.881 4.672) 7.234 7.946 ( 0.347 2.110 -9.407) 9.647 8.322 ( 3.374 5.014 2.405) 6.504 8.413 ( -3.337 7.794 0.282) 8.483 8.718 ( -2.205 -1.876 3.724) 4.717 8.787 ( 2.028 -2.912 -3.304) 4.849 8.840 ( 5.813 -3.040 2.262) 6.939 8.945 ( -5.473 -2.113 2.166) 6.254 9.544 ( 5.127 1.365 1.850) 5.619 9.675 ( 0.484 4.835 -4.592) 6.685 10.117 ( 3.400 -1.063 1.650) 3.926 10.205 ( -2.757 -3.114 -1.558) 4.441 10.508 ( 4.721 -0.472 -3.174) 5.709 10.542 ( -6.924 -4.581 2.453) 8.657 10.674 ( 2.727 1.097 1.098) 3.138 10.752 ( -3.711 -0.395 -0.788) 3.815 11.153 ( 0.335 7.926 3.622) 8.721 11.259 ( 2.332 7.119 -4.243) 8.610 11.461 ( 3.549 4.936 3.450) 6.990 11.527 ( 4.261 8.683 -2.069) 9.891 11.690 ( 3.307 0.410 -0.741) 3.414 11.758 ( -6.506 1.860 0.677) 6.801 12.297 ( 2.868 6.862 0.001) 7.437 12.319 ( 0.248 8.622 -0.029) 8.626 12.761 ( 1.417 -5.419 1.793) 5.881 12.844 ( -0.983 -5.386 -1.576) 5.697 13.067 ( 0.195 4.994 2.440) 5.562 13.180 ( -3.463 2.342 -2.797) 5.030 16.000 ( -0.188 -0.756 1.038) 1.298 16.059 ( -3.245 -0.689 -0.815) 3.416 17.898 ( 5.835 -1.951 0.121) 6.154 17.997 ( -6.432 -2.087 -0.144) 6.764 18.414 ( 4.614 0.655 0.365) 4.674 18.482 ( -2.622 3.994 -1.498) 5.008 18.862 ( 2.935 3.333 6.968) 8.263 19.148 ( -1.913 5.642 -10.238) 11.845 19.444 ( 3.521 -4.662 -0.353) 5.852 19.492 ( -0.633 -1.563 -0.240) 1.704 19.595 ( -2.596 6.947 9.244) 11.851 19.807 ( -2.882 13.084 -4.226) 14.048 21.418 ( 12.759 0.496 0.290) 12.772 21.556 ( -7.697 -2.211 1.335) 8.119 21.926 ( -1.583 3.078 -0.529) 3.501 21.939 ( 1.427 -0.998 -3.259) 3.695 22.157 ( -1.054 0.509 4.716) 4.859 22.260 ( -0.243 1.409 -3.269) 3.568 22.930 ( 1.807 -4.010 1.726) 4.725 22.994 ( -0.939 -1.686 -1.048) 2.196 23.162 ( -3.231 -6.874 2.322) 7.943 23.203 ( 0.316 -7.525 -2.260) 7.863 ======================= Grid point 170 (72/102) ======================= q-point: (-0.27 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 3.167 0.376 2.241) 3.898 1.617 ( 3.484 -5.038 -8.442) 10.431 1.809 ( -7.334 7.885 4.512) 11.675 1.907 ( 4.045 6.697 -3.689) 8.650 2.169 ( -7.998 6.968 11.343) 15.530 2.256 ( -1.741 5.396 1.342) 5.827 2.314 ( -3.268 -1.193 -0.477) 3.511 2.419 ( 8.394 1.557 -4.004) 9.430 2.565 ( 3.906 -3.714 -1.448) 5.582 2.587 ( -2.062 -0.233 -2.480) 3.234 2.940 ( -5.093 -1.486 2.850) 6.022 2.972 ( 0.930 1.738 3.226) 3.780 3.010 ( -0.244 -4.857 -1.503) 5.090 3.073 ( 2.727 5.169 -3.465) 6.794 3.149 ( -0.166 3.122 2.659) 4.104 3.214 ( 2.121 2.768 -2.366) 4.214 3.253 ( 2.660 1.194 0.509) 2.959 3.295 ( -0.542 -2.719 -2.533) 3.755 3.482 ( -2.996 -0.558 2.789) 4.130 3.571 ( 1.326 -1.387 -4.521) 4.911 3.638 ( -3.463 1.165 2.055) 4.192 3.696 ( 3.983 0.546 -3.375) 5.249 3.794 ( -1.728 -4.769 4.436) 6.738 3.851 ( 0.975 -2.038 -0.127) 2.263 4.037 ( -1.405 0.647 0.002) 1.547 4.057 ( 3.777 -1.826 -2.270) 4.770 4.175 ( -9.671 -2.954 4.760) 11.177 4.298 ( 10.978 -1.912 -5.875) 12.597 4.491 ( -4.237 -3.981 2.857) 6.478 4.515 ( -0.310 -5.276 0.745) 5.337 4.795 ( -2.127 -3.117 3.509) 5.153 4.893 ( 3.306 -0.018 -4.047) 5.225 5.055 ( 0.276 -2.503 -0.636) 2.598 5.091 ( -0.570 0.181 -2.821) 2.883 5.280 ( -1.699 -6.418 3.840) 7.670 5.339 ( 1.117 -5.759 0.553) 5.893 5.472 ( 1.761 1.844 0.397) 2.580 5.515 ( -2.342 2.911 -1.933) 4.206 5.611 ( 3.003 1.273 4.209) 5.325 5.736 ( -3.942 1.366 -5.547) 6.941 5.933 ( 1.812 -1.382 6.242) 6.645 6.055 ( -2.601 -1.528 -4.705) 5.589 6.253 ( 6.084 1.626 3.179) 7.054 6.320 ( -4.930 7.140 -2.499) 9.029 6.483 ( 1.406 9.457 2.942) 10.003 6.557 ( -0.913 13.435 -3.009) 13.798 6.786 ( -3.811 -0.090 0.676) 3.871 6.817 ( 3.937 -1.694 -1.602) 4.576 6.976 ( 2.411 4.904 5.457) 7.723 7.090 ( -2.264 4.107 -4.546) 6.531 7.590 ( -1.394 -0.102 2.510) 2.873 7.667 ( 2.376 -1.394 -3.793) 4.688 7.740 ( -2.365 -2.937 5.195) 6.420 7.902 ( 3.525 1.661 -8.091) 8.981 8.207 ( -5.639 6.410 4.970) 9.879 8.330 ( 7.106 2.523 -5.346) 9.243 8.753 ( -3.532 -2.975 4.524) 6.465 8.838 ( -1.865 -3.740 0.179) 4.183 8.938 ( -2.733 -3.306 4.393) 6.140 9.014 ( 2.841 -6.254 0.413) 6.881 9.524 ( 1.716 3.657 -1.353) 4.260 9.575 ( 1.447 5.520 -5.237) 7.745 10.144 ( -4.928 -1.156 4.495) 6.769 10.238 ( 4.458 -0.875 -3.440) 5.698 10.503 ( 1.257 3.079 1.745) 3.755 10.558 ( -1.685 -0.507 -3.003) 3.480 10.709 ( -1.223 -3.549 3.339) 5.024 10.767 ( 0.884 -2.953 -1.965) 3.655 11.035 ( -0.917 5.595 4.370) 7.158 11.146 ( 0.799 5.434 -5.325) 7.650 11.357 ( -0.339 7.205 2.488) 7.630 11.394 ( 0.485 7.355 -0.995) 7.438 11.706 ( -3.259 -0.399 0.713) 3.360 11.723 ( 3.301 -0.941 -0.657) 3.495 12.213 ( 0.065 4.303 0.167) 4.307 12.218 ( -0.138 3.736 -0.218) 3.745 12.837 ( 0.166 -0.163 1.346) 1.366 12.872 ( -0.070 0.546 -1.750) 1.834 13.054 ( 0.190 -2.485 4.670) 5.294 13.159 ( -0.315 -3.371 -4.353) 5.515 16.013 ( 0.315 -0.165 2.190) 2.218 16.063 ( -0.288 -1.520 -2.018) 2.543 17.983 ( 2.220 -3.010 0.748) 3.814 18.002 ( -2.567 -3.351 -0.814) 4.299 18.414 ( -3.980 0.335 0.361) 4.010 18.437 ( 5.415 2.257 -1.804) 6.138 18.817 ( -2.301 3.126 8.413) 9.266 19.018 ( 1.460 5.630 -9.418) 11.069 19.426 ( -2.598 6.130 3.583) 7.561 19.472 ( 1.727 5.977 -0.792) 6.272 19.642 ( 9.745 -6.970 0.367) 11.987 19.657 ( -9.082 -2.989 -0.560) 9.578 21.452 ( -1.806 4.009 2.032) 4.844 21.496 ( 1.633 3.199 -1.605) 3.934 21.908 ( -0.535 -1.754 1.571) 2.414 21.971 ( 1.316 -2.541 -3.930) 4.861 22.152 ( -0.304 1.006 3.983) 4.120 22.227 ( -0.337 0.975 -2.735) 2.923 22.979 ( -0.603 0.800 1.474) 1.782 23.012 ( 1.133 -2.202 -1.212) 2.757 23.252 ( -2.032 -4.825 3.135) 6.102 23.323 ( 1.495 -5.818 -2.818) 6.635 ======================= Grid point 171 (73/102) ======================= q-point: (-0.18 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -3.979 5.132 7.595) 9.993 1.549 ( -3.442 14.974 3.701) 15.804 1.699 ( 4.906 0.729 -5.427) 7.352 1.745 ( 2.434 10.819 -4.714) 12.049 2.025 ( -1.641 4.513 2.270) 5.312 2.153 ( 2.301 3.186 -2.839) 4.849 2.314 ( -1.186 0.975 0.566) 1.636 2.416 ( 5.980 7.758 -3.218) 10.311 2.548 ( -1.217 0.286 1.686) 2.099 2.663 ( 4.380 -1.434 -1.987) 5.019 2.859 ( -3.383 9.146 8.023) 12.627 2.928 ( 1.617 -2.126 2.653) 3.765 2.990 ( -2.061 1.306 -2.165) 3.262 3.073 ( 0.683 7.491 -3.075) 8.126 3.172 ( 0.960 -1.819 -0.380) 2.091 3.187 ( 0.755 -7.426 -1.327) 7.581 3.278 ( 0.640 -1.307 1.283) 1.940 3.376 ( 5.116 -0.121 -4.570) 6.861 3.485 ( -1.965 -3.216 3.344) 5.039 3.560 ( -5.064 1.157 -2.541) 5.783 3.624 ( 0.514 -0.202 -0.714) 0.902 3.692 ( 1.768 -0.603 -2.666) 3.255 3.863 ( -6.379 -5.913 5.114) 10.090 3.934 ( 4.574 -3.192 3.730) 6.710 3.975 ( -1.773 2.837 -0.116) 3.348 4.099 ( 3.999 0.734 -3.557) 5.402 4.165 ( -7.212 -2.787 0.652) 7.759 4.386 ( 9.240 -0.390 -4.569) 10.315 4.541 ( -1.658 -2.632 6.820) 7.496 4.633 ( 1.339 -6.770 -0.778) 6.945 4.807 ( -7.771 -0.316 -1.197) 7.869 4.904 ( 5.845 0.837 -2.117) 6.273 5.076 ( -1.713 -1.244 -0.495) 2.174 5.123 ( 1.285 -2.785 -2.346) 3.861 5.303 ( -7.511 3.961 3.694) 9.260 5.404 ( 2.253 -2.141 3.256) 4.501 5.477 ( 3.597 -0.660 1.013) 3.795 5.479 ( -1.887 -2.477 -2.524) 4.009 5.608 ( 1.976 1.806 0.015) 2.677 5.649 ( -0.153 4.547 -3.604) 5.804 5.964 ( -4.488 -2.617 5.804) 7.790 6.090 ( 3.995 -1.067 -1.988) 4.588 6.180 ( -5.551 2.699 0.948) 6.245 6.243 ( 1.620 8.643 1.381) 8.901 6.344 ( 2.256 4.756 -3.430) 6.282 6.397 ( 8.722 3.508 -2.063) 9.625 6.767 ( -2.861 0.489 4.137) 5.054 6.891 ( 1.242 -2.006 -3.819) 4.489 6.909 ( 1.534 3.836 4.728) 6.279 7.010 ( 2.840 2.049 -3.468) 4.929 7.590 ( -0.308 -0.392 3.730) 3.763 7.698 ( 3.120 -0.562 -5.417) 6.277 7.835 ( 0.094 -7.504 0.552) 7.524 7.913 ( 3.075 -0.734 -3.539) 4.745 8.093 ( -7.240 2.043 7.495) 10.619 8.350 ( 7.848 0.690 -8.092) 11.293 8.783 ( -5.569 -3.002 4.600) 7.822 8.885 ( -3.494 -3.691 0.447) 5.102 8.979 ( -5.459 -3.728 5.117) 8.359 9.128 ( 1.441 -3.681 3.493) 5.275 9.453 ( -2.191 2.956 -3.280) 4.930 9.492 ( 3.841 4.514 -7.271) 9.381 10.105 ( -7.375 0.956 3.021) 8.027 10.258 ( 6.679 4.126 -0.825) 7.894 10.458 ( 0.480 1.943 2.636) 3.310 10.542 ( 2.956 0.849 -3.597) 4.733 10.791 ( -0.625 -4.681 1.614) 4.991 10.823 ( 1.743 -2.067 -0.813) 2.823 10.969 ( -0.858 1.812 2.998) 3.606 11.065 ( 1.596 3.848 -3.723) 5.587 11.258 ( -3.873 2.047 2.375) 4.983 11.298 ( -3.251 1.618 -1.202) 3.825 11.715 ( -1.009 -2.268 0.491) 2.530 11.772 ( 3.093 -1.981 -0.688) 3.737 12.144 ( -0.853 3.387 0.655) 3.553 12.164 ( 0.189 2.504 -0.575) 2.576 12.793 ( -0.534 3.373 1.184) 3.614 12.839 ( 1.447 3.348 -1.744) 4.043 13.150 ( -2.401 -7.437 3.963) 8.762 13.255 ( 1.785 -6.591 -3.462) 7.656 16.022 ( 0.327 -0.072 3.044) 3.062 16.097 ( 1.869 -2.214 -2.944) 4.131 17.994 ( -7.907 -2.516 -0.250) 8.301 18.103 ( 7.170 -3.312 0.644) 7.924 18.355 ( -1.114 3.808 -0.667) 4.023 18.403 ( 3.276 6.189 -1.026) 7.078 18.787 ( -7.336 -2.871 4.974) 9.316 18.979 ( 6.025 -1.128 -4.318) 7.498 19.317 ( -6.650 2.190 0.376) 7.012 19.405 ( 4.886 3.139 0.280) 5.815 19.684 ( -9.880 -6.820 0.002) 12.005 19.861 ( 13.662 -7.090 0.017) 15.392 21.271 ( -14.126 7.456 0.093) 15.973 21.466 ( 11.563 7.420 -0.181) 13.741 21.967 ( -1.463 -4.347 1.380) 4.790 22.017 ( 1.537 -1.449 -1.452) 2.563 22.114 ( -2.126 2.629 3.875) 5.143 22.237 ( 2.340 -2.271 -5.039) 6.002 22.937 ( -1.901 2.978 4.277) 5.547 23.049 ( 2.018 -0.890 -3.924) 4.501 23.313 ( -2.364 -3.002 4.153) 5.643 23.412 ( 0.644 -3.977 -3.252) 5.178 ======================= Grid point 172 (74/102) ======================= q-point: (-0.09 0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -2.900 16.143 2.473) 16.587 1.333 ( 2.263 14.458 2.266) 14.808 1.556 ( 0.567 9.505 3.111) 10.017 1.700 ( 6.259 4.486 -0.927) 7.756 1.966 ( 3.391 4.215 -1.058) 5.512 2.178 ( 4.487 0.786 -9.073) 10.153 2.243 ( 4.196 8.236 -2.225) 9.508 2.311 ( 10.407 4.547 0.259) 11.360 2.520 ( -1.207 7.458 6.641) 10.059 2.587 ( -2.710 5.843 3.027) 7.117 2.791 ( 1.067 0.252 1.063) 1.527 2.903 ( 5.166 7.840 -5.421) 10.842 2.949 ( 1.946 3.389 4.179) 5.722 3.006 ( -2.641 -2.055 -0.649) 3.409 3.213 ( 1.350 1.033 -1.663) 2.378 3.286 ( 2.507 0.812 -2.253) 3.467 3.299 ( -1.027 -1.910 -0.031) 2.169 3.353 ( 1.102 -2.758 -1.406) 3.286 3.459 ( -7.687 1.439 1.013) 7.886 3.602 ( 0.193 -5.891 -1.558) 6.097 3.647 ( -0.190 -2.331 -0.453) 2.382 3.724 ( 1.081 -1.118 -1.507) 2.165 3.894 ( -4.163 1.622 1.966) 4.881 3.943 ( -5.874 -4.593 2.116) 7.750 4.033 ( 5.302 -2.129 2.223) 6.131 4.103 ( -1.366 -1.486 5.008) 5.399 4.174 ( -3.793 -3.167 -4.465) 6.660 4.443 ( 3.698 -2.191 -0.275) 4.307 4.590 ( 2.116 -1.676 4.581) 5.317 4.674 ( -5.430 3.692 -5.885) 8.818 4.745 ( 0.296 -0.132 -0.187) 0.375 4.933 ( 4.172 0.257 -2.115) 4.684 5.084 ( -2.129 -0.854 0.462) 2.340 5.156 ( -5.835 1.936 0.751) 6.193 5.167 ( -2.272 -0.059 0.905) 2.446 5.421 ( -6.115 0.974 2.082) 6.533 5.467 ( -1.951 0.084 -1.459) 2.437 5.533 ( 7.602 3.924 -3.188) 9.130 5.556 ( 0.305 -0.759 1.211) 1.461 5.688 ( 3.706 -3.925 1.242) 5.539 5.980 ( -3.012 -1.046 1.065) 3.361 6.072 ( 4.575 6.920 2.544) 8.677 6.129 ( 2.943 -1.673 -2.809) 4.399 6.149 ( -0.772 0.848 0.829) 1.415 6.316 ( 0.083 1.442 -1.866) 2.360 6.504 ( 13.647 -5.710 -2.458) 14.997 6.718 ( 0.183 4.664 5.034) 6.865 6.873 ( 0.786 0.809 -4.145) 4.296 6.928 ( 4.066 -2.363 2.379) 5.270 7.069 ( 5.357 -3.039 -0.516) 6.180 7.612 ( 2.014 0.098 3.954) 4.438 7.728 ( 4.751 -1.497 -6.666) 8.321 7.904 ( -3.331 0.245 0.152) 3.344 7.980 ( 0.811 -6.986 -1.690) 7.234 8.099 ( -3.457 -5.411 7.258) 9.691 8.370 ( 5.516 0.788 -7.507) 9.349 8.798 ( -6.303 -2.874 3.798) 7.900 8.920 ( -3.728 -3.184 0.534) 4.931 8.999 ( -6.401 -2.237 3.765) 7.756 9.179 ( -3.084 -1.428 8.538) 9.190 9.390 ( -2.386 1.040 -3.549) 4.401 9.447 ( 5.260 2.567 -9.200) 10.905 10.036 ( -3.984 1.974 1.301) 4.633 10.186 ( 5.023 7.082 -0.031) 8.682 10.474 ( 2.039 -1.743 0.575) 2.743 10.560 ( 3.152 -0.017 -1.395) 3.447 10.769 ( -4.933 3.302 1.861) 6.221 10.919 ( 3.646 -3.497 -1.781) 5.357 10.983 ( 4.216 -2.047 0.536) 4.717 11.014 ( 0.028 1.554 1.111) 1.911 11.246 ( -3.593 -3.606 -0.160) 5.093 11.288 ( -2.514 -2.441 -0.274) 3.514 11.766 ( -0.645 -3.554 -0.117) 3.614 11.844 ( 3.640 -4.112 -0.601) 5.524 12.090 ( 0.298 2.358 1.028) 2.590 12.126 ( 0.818 2.084 -0.643) 2.329 12.736 ( -0.115 3.049 1.598) 3.444 12.785 ( 0.553 2.946 -1.743) 3.467 13.277 ( -3.046 -8.290 1.989) 9.054 13.377 ( 0.522 -6.531 -1.886) 6.818 16.035 ( 0.604 -0.224 3.304) 3.367 16.159 ( 3.359 -3.667 -3.207) 5.917 17.950 ( -9.983 0.282 -0.762) 10.016 18.124 ( -0.606 5.723 1.780) 6.024 18.259 ( 1.475 10.153 -0.337) 10.265 18.375 ( 12.144 -3.669 -0.826) 12.713 18.837 ( -9.194 -8.804 0.943) 12.765 19.116 ( 7.346 -7.248 0.516) 10.332 19.268 ( -5.560 -2.567 -2.463) 6.600 19.434 ( 4.860 -1.848 1.295) 5.358 19.743 ( -7.748 -7.487 -0.093) 10.774 20.074 ( 11.665 -6.020 -0.185) 13.128 21.008 ( -13.305 10.451 -0.376) 16.923 21.399 ( 11.200 9.551 0.729) 14.737 21.992 ( -0.784 3.951 -0.637) 4.078 22.005 ( 0.251 0.257 0.288) 0.461 22.120 ( -1.668 -3.929 5.206) 6.733 22.305 ( 2.825 -4.395 -7.762) 9.357 22.873 ( -2.773 3.597 7.235) 8.542 23.052 ( 1.869 1.066 -5.993) 6.367 23.338 ( -3.849 -1.076 5.225) 6.578 23.450 ( -2.318 -1.495 -3.908) 4.783 ======================= Grid point 178 (75/102) ======================= q-point: ( 0.36 0.36 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 10.742 0.000 5.159) 11.917 1.370 ( 11.115 0.000 -0.349) 11.121 1.553 ( 17.838 0.000 -1.241) 17.881 1.736 ( 20.226 0.000 -4.806) 20.789 2.100 ( 1.357 0.000 1.150) 1.779 2.298 ( 0.615 0.000 0.636) 0.885 2.305 ( -10.608 -0.000 6.067) 12.220 2.364 ( -12.747 -0.000 1.870) 12.883 2.434 ( 16.829 0.000 -9.116) 19.139 2.515 ( -3.199 -0.000 3.027) 4.404 2.605 ( 3.724 0.000 -1.323) 3.952 2.784 ( 18.217 0.000 -3.726) 18.594 2.926 ( 6.158 0.000 -2.312) 6.577 3.064 ( -1.473 -0.000 0.450) 1.540 3.096 ( -1.127 -0.000 2.766) 2.986 3.216 ( -5.668 -0.000 1.909) 5.980 3.315 ( 6.726 0.000 -2.627) 7.221 3.448 ( -8.005 -0.000 8.805) 11.900 3.489 ( 1.251 0.000 -10.904) 10.976 3.591 ( 2.698 0.000 2.705) 3.821 3.719 ( 7.702 0.000 -5.569) 9.504 3.741 ( 6.743 0.000 5.583) 8.754 3.874 ( -1.188 -0.000 -3.504) 3.700 3.942 ( -16.608 -0.000 6.161) 17.714 4.108 ( 3.542 0.000 2.873) 4.561 4.216 ( 0.356 0.000 0.281) 0.454 4.306 ( 3.703 0.000 -5.985) 7.038 4.390 ( -3.667 -0.000 4.631) 5.907 4.428 ( -6.956 -0.000 0.381) 6.967 4.587 ( -3.692 -0.000 -2.959) 4.732 4.765 ( -4.216 -0.000 -0.393) 4.234 4.812 ( -10.838 -0.000 0.964) 10.881 4.894 ( -2.874 -0.000 -3.986) 4.914 4.913 ( -8.280 -0.000 1.111) 8.354 5.098 ( -7.104 -0.000 -1.084) 7.186 5.114 ( -3.683 -0.000 -2.509) 4.457 5.183 ( 8.632 0.000 -5.212) 10.083 5.261 ( -9.640 -0.000 10.046) 13.923 5.346 ( 0.493 0.000 7.726) 7.742 5.681 ( -0.210 -0.000 -11.667) 11.669 5.906 ( 0.536 0.000 1.816) 1.894 5.945 ( -1.023 -0.000 3.236) 3.394 6.107 ( 4.596 0.000 -1.260) 4.766 6.239 ( -1.848 -0.000 1.816) 2.591 6.697 ( 7.297 0.000 -1.336) 7.418 6.929 ( -1.111 -0.000 2.736) 2.953 6.989 ( 7.604 0.000 -1.411) 7.734 7.048 ( 3.112 0.000 0.228) 3.120 7.368 ( 5.485 0.000 -2.977) 6.240 7.473 ( -0.205 -0.000 -2.094) 2.104 7.690 ( -4.200 -0.000 1.210) 4.371 7.950 ( 4.620 0.000 -1.288) 4.796 7.968 ( -0.127 -0.000 5.078) 5.079 8.181 ( -11.049 -0.000 -4.819) 12.054 8.418 ( 0.930 0.000 -5.488) 5.566 8.436 ( -6.013 -0.000 8.599) 10.493 8.636 ( -4.413 -0.000 0.174) 4.417 8.667 ( 0.400 0.000 -2.322) 2.356 9.333 ( 0.195 0.000 9.048) 9.050 9.478 ( 1.060 0.000 -2.746) 2.943 9.534 ( -6.914 -0.000 3.840) 7.909 9.687 ( 8.498 0.000 -8.926) 12.324 10.032 ( -1.819 -0.000 2.129) 2.800 10.136 ( -1.987 -0.000 -0.340) 2.016 10.318 ( 10.440 0.000 -9.113) 13.857 10.379 ( -4.361 -0.000 6.961) 8.214 10.851 ( 0.247 0.000 3.445) 3.453 10.889 ( 2.743 0.000 -0.240) 2.753 11.219 ( 12.765 0.000 1.093) 12.812 11.389 ( -0.802 -0.000 -5.146) 5.208 11.460 ( 4.028 0.000 2.325) 4.651 11.596 ( 0.959 0.000 1.594) 1.860 11.721 ( -1.447 -0.000 -0.319) 1.482 11.814 ( -1.459 -0.000 -0.471) 1.533 12.513 ( -3.075 -0.000 0.389) 3.100 12.531 ( -1.511 -0.000 -0.544) 1.606 13.139 ( 9.047 0.000 -3.406) 9.667 13.171 ( 7.053 0.000 4.404) 8.315 13.434 ( -4.455 -0.000 -0.838) 4.533 13.443 ( -3.401 -0.000 -0.068) 3.401 15.970 ( -6.135 -0.000 2.063) 6.473 16.192 ( -15.720 -0.000 -0.870) 15.744 17.962 ( 7.640 0.000 -0.247) 7.644 17.986 ( 6.763 0.000 0.237) 6.767 18.523 ( 5.806 0.000 3.625) 6.845 18.527 ( 5.461 0.000 -3.050) 6.255 18.858 ( -9.270 -0.000 1.448) 9.383 18.868 ( -9.106 -0.000 -1.720) 9.267 19.847 ( -4.129 -0.000 0.252) 4.137 19.874 ( -1.514 -0.000 0.121) 1.519 20.218 ( -0.351 -0.000 8.606) 8.614 20.693 ( 7.745 0.000 -18.668) 20.211 21.161 ( 4.113 0.000 10.551) 11.324 21.242 ( 16.163 0.000 -4.666) 16.823 21.950 ( -1.087 -0.000 5.546) 5.652 22.174 ( 8.232 0.000 -3.610) 8.989 22.226 ( -8.043 -0.000 11.044) 13.662 22.390 ( 0.605 0.000 -5.005) 5.042 22.462 ( 1.519 0.000 0.300) 1.549 22.590 ( -6.095 -0.000 -5.993) 8.548 22.750 ( -4.772 -0.000 2.544) 5.408 22.771 ( -4.221 -0.000 -0.214) 4.226 ======================= Grid point 179 (76/102) ======================= q-point: ( 0.45 0.36 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 7.105 -3.525 3.514) 8.675 1.489 ( 5.998 -5.377 -0.972) 8.114 1.639 ( 12.584 3.961 2.195) 13.374 1.827 ( 13.893 3.919 -5.921) 15.602 2.067 ( 0.587 2.665 2.837) 3.937 2.148 ( -2.372 3.125 -0.701) 3.986 2.338 ( 1.284 -2.275 -1.013) 2.802 2.404 ( -12.509 -7.891 4.469) 15.450 2.508 ( -2.844 -2.817 1.293) 4.207 2.532 ( 0.526 -3.842 -5.953) 7.104 2.720 ( 14.132 -5.051 -3.148) 15.334 2.910 ( 7.009 -1.181 0.364) 7.117 2.962 ( 7.669 -1.120 -3.827) 8.644 3.061 ( -7.607 -0.206 4.578) 8.881 3.071 ( -3.373 -0.765 4.331) 5.542 3.184 ( 0.387 0.630 -3.498) 3.575 3.353 ( 2.249 1.483 2.259) 3.515 3.398 ( -2.208 0.921 4.089) 4.737 3.476 ( 2.825 0.984 -8.828) 9.321 3.582 ( -4.040 2.234 1.419) 4.830 3.690 ( 6.528 3.623 0.540) 7.485 3.818 ( -4.833 2.558 -0.158) 5.470 3.859 ( -1.472 1.307 2.229) 2.974 3.889 ( 11.404 -2.244 -1.006) 11.666 4.071 ( -0.499 4.491 3.533) 5.736 4.173 ( -1.552 4.941 0.416) 5.196 4.290 ( 3.323 1.323 -2.864) 4.582 4.317 ( -6.713 1.861 0.474) 6.982 4.460 ( -2.394 1.478 2.872) 4.021 4.542 ( -2.696 0.172 -2.710) 3.826 4.697 ( -1.166 -0.328 -4.126) 4.300 4.758 ( -13.243 -4.429 0.882) 13.992 4.842 ( -4.720 1.408 2.692) 5.613 4.950 ( -2.921 -3.630 -4.868) 6.739 5.053 ( -2.304 -0.819 -0.339) 2.468 5.111 ( -6.335 0.476 3.433) 7.221 5.205 ( 0.450 -2.499 0.616) 2.613 5.273 ( -2.872 -4.466 1.877) 5.632 5.397 ( 5.793 -3.736 3.272) 7.631 5.695 ( -1.366 -2.972 -8.390) 9.006 5.880 ( 0.294 1.305 2.843) 3.142 5.968 ( -3.137 -1.826 1.861) 4.079 6.179 ( 6.916 -2.553 -1.699) 7.566 6.254 ( -1.258 -3.150 1.539) 3.725 6.737 ( 6.514 1.046 -0.725) 6.637 6.905 ( -1.082 1.637 -0.035) 1.962 7.028 ( 6.087 1.071 -0.287) 6.188 7.080 ( -0.623 -1.407 1.542) 2.179 7.367 ( 3.489 3.535 -2.597) 5.605 7.457 ( -2.144 1.102 -2.778) 3.678 7.672 ( -1.470 0.651 3.818) 4.143 7.919 ( 4.110 3.798 1.182) 5.719 7.979 ( -1.287 1.656 1.988) 2.890 8.065 ( -10.331 2.991 -5.284) 11.983 8.365 ( 0.548 3.173 0.700) 3.295 8.420 ( -1.285 0.535 0.543) 1.494 8.624 ( -1.792 -2.163 0.613) 2.875 8.694 ( -1.724 -2.313 -1.610) 3.304 9.319 ( -0.891 6.781 2.019) 7.131 9.387 ( -3.241 7.303 2.650) 8.418 9.459 ( 0.374 3.222 5.267) 6.186 9.723 ( 4.575 -0.969 -8.478) 9.683 10.047 ( 2.489 -1.065 0.717) 2.800 10.120 ( -1.791 0.322 0.897) 2.028 10.380 ( 6.448 -1.369 -6.380) 9.173 10.388 ( -2.612 -2.179 3.834) 5.125 10.825 ( 0.706 3.110 2.758) 4.216 10.887 ( 0.167 2.229 -0.254) 2.250 11.309 ( 9.562 -0.679 -0.544) 9.602 11.423 ( 3.950 -2.420 -0.786) 4.698 11.502 ( -0.258 -1.264 0.439) 1.363 11.582 ( -0.682 -0.130 0.751) 1.023 11.717 ( 1.772 0.628 -0.335) 1.910 11.808 ( -2.781 -0.728 -0.032) 2.874 12.508 ( -1.618 -1.917 0.637) 2.588 12.551 ( -1.616 -3.240 -0.658) 3.680 13.032 ( 8.347 13.823 0.545) 16.157 13.194 ( 7.271 12.302 0.472) 14.298 13.301 ( -5.704 2.221 -0.525) 6.144 13.417 ( -4.585 2.920 -0.629) 5.472 15.944 ( -4.315 -1.047 2.166) 4.941 16.092 ( -10.566 -0.157 -1.566) 10.683 17.945 ( 7.143 5.421 -0.017) 8.967 18.033 ( 1.915 0.556 -0.012) 1.994 18.437 ( 12.716 3.809 0.148) 13.275 18.744 ( -2.767 -0.804 1.033) 3.061 18.799 ( -9.277 -5.556 -0.358) 10.820 18.869 ( -5.580 -9.116 -0.851) 10.722 19.675 ( -2.464 12.555 2.013) 12.952 19.804 ( -2.650 7.698 -4.199) 9.161 20.164 ( 1.701 8.227 12.396) 14.975 20.622 ( 5.360 8.903 -16.080) 19.146 21.240 ( 3.821 -3.377 7.256) 8.869 21.365 ( 10.419 -2.677 -3.753) 11.394 21.924 ( 0.919 2.478 4.758) 5.443 22.108 ( 1.382 3.022 2.007) 3.882 22.273 ( -0.967 6.466 -2.257) 6.916 22.335 ( -2.748 -4.220 -1.325) 5.207 22.559 ( 1.007 -7.554 1.440) 7.756 22.690 ( -3.752 -11.656 -3.402) 12.709 22.725 ( -2.890 -3.383 1.834) 4.813 22.804 ( -3.885 -4.786 -0.017) 6.165 ======================= Grid point 180 (77/102) ======================= q-point: ( 0.55 0.36 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -4.438 0.088 9.721) 10.687 1.580 ( 1.152 -0.537 2.312) 2.639 1.705 ( 10.206 -5.932 -6.765) 13.606 1.793 ( 8.191 4.231 -9.150) 12.989 2.062 ( 1.416 0.103 5.738) 5.911 2.164 ( 4.133 -1.636 -3.763) 5.824 2.397 ( 0.030 -3.313 1.232) 3.535 2.445 ( -6.946 -4.655 1.543) 8.502 2.550 ( -2.428 -3.597 0.952) 4.443 2.598 ( -0.911 -4.935 -4.502) 6.742 2.860 ( -4.614 4.512 7.568) 9.946 2.918 ( 11.139 -3.032 -4.602) 12.428 3.019 ( -0.493 -0.948 0.759) 1.311 3.073 ( -3.552 -1.376 4.778) 6.111 3.076 ( 0.601 -4.193 -1.706) 4.567 3.176 ( 0.946 0.744 -4.473) 4.632 3.329 ( -0.779 -1.503 3.168) 3.592 3.428 ( 5.411 -0.388 1.299) 5.579 3.462 ( 1.088 0.078 -5.820) 5.922 3.523 ( -1.015 0.820 -1.344) 1.873 3.654 ( -2.050 3.336 3.984) 5.586 3.742 ( -0.296 2.485 -3.061) 3.954 3.830 ( 5.164 5.986 0.445) 7.918 3.888 ( -4.998 4.956 6.559) 9.621 4.034 ( 2.225 2.027 -3.657) 4.736 4.114 ( 6.410 2.657 -2.545) 7.391 4.212 ( -5.345 3.105 0.894) 6.246 4.287 ( -2.457 1.254 -1.213) 3.013 4.376 ( 2.467 3.760 1.677) 4.799 4.512 ( -5.966 0.812 -2.422) 6.490 4.744 ( 1.584 -3.125 -3.067) 4.656 4.761 ( -4.989 -2.506 2.548) 6.138 4.827 ( -6.401 -5.067 6.659) 10.535 4.963 ( 0.336 -2.643 -4.219) 4.989 5.048 ( -3.160 0.729 3.527) 4.791 5.103 ( 2.714 -1.995 -4.531) 5.646 5.307 ( -1.225 -7.106 2.761) 7.721 5.351 ( -3.767 -7.055 1.605) 8.157 5.539 ( 8.109 -4.807 -0.674) 9.450 5.709 ( -3.606 -2.341 -4.847) 6.479 5.881 ( -0.078 -0.183 4.541) 4.545 5.976 ( -1.591 -1.209 -1.131) 2.296 6.261 ( 2.469 -2.789 1.855) 4.161 6.331 ( 1.404 -4.471 -2.210) 5.182 6.748 ( 4.326 2.224 0.505) 4.891 6.860 ( -1.561 2.167 -2.940) 3.972 7.035 ( 3.987 2.623 2.324) 5.308 7.093 ( -2.505 -1.307 1.282) 3.103 7.275 ( 0.550 8.351 0.667) 8.396 7.363 ( -1.838 7.290 -4.051) 8.541 7.653 ( 1.488 2.624 4.577) 5.482 7.853 ( 1.795 6.230 -1.445) 6.642 7.895 ( -7.536 5.605 1.584) 9.525 7.976 ( 0.958 -0.260 -6.539) 6.614 8.340 ( 0.156 0.011 4.077) 4.080 8.435 ( -1.093 -3.196 -1.179) 3.577 8.670 ( 0.616 -2.571 -0.138) 2.647 8.711 ( -1.625 -1.785 -0.646) 2.499 9.105 ( -0.493 14.109 2.888) 14.410 9.183 ( -2.021 12.423 -1.640) 12.692 9.503 ( 2.964 -2.491 7.822) 8.728 9.745 ( 0.813 -0.793 -7.398) 7.484 10.093 ( 2.335 -0.730 0.193) 2.454 10.114 ( 0.485 -1.162 -0.317) 1.298 10.402 ( -7.402 -3.002 5.688) 9.805 10.449 ( 7.986 -1.602 -7.273) 10.920 10.773 ( -0.453 3.357 2.664) 4.310 10.825 ( -0.600 3.975 -0.814) 4.101 11.358 ( 4.251 1.801 -0.055) 4.617 11.465 ( -2.718 2.708 -2.705) 4.695 11.501 ( 7.483 -1.185 2.655) 8.028 11.611 ( -1.608 -1.686 0.532) 2.390 11.729 ( 4.292 0.384 -0.559) 4.346 11.792 ( -5.044 -0.642 0.211) 5.089 12.560 ( 0.037 -4.113 1.096) 4.257 12.609 ( -1.224 -4.046 -1.119) 4.373 12.804 ( 6.079 17.438 1.720) 18.548 12.901 ( 1.126 19.850 -1.596) 19.946 13.246 ( -2.137 3.536 1.676) 4.459 13.314 ( -2.581 4.220 -2.042) 5.352 15.953 ( -1.556 -1.743 2.175) 3.192 16.039 ( -4.978 -0.618 -1.869) 5.353 17.915 ( 6.759 3.322 0.051) 7.531 17.998 ( -3.845 1.914 -0.110) 4.297 18.487 ( 10.716 2.817 1.215) 11.146 18.653 ( -6.423 3.316 -2.119) 7.533 18.862 ( 1.401 -4.037 3.496) 5.521 19.029 ( -7.297 -11.602 -2.941) 14.018 19.462 ( -1.223 8.804 2.675) 9.282 19.593 ( -2.559 10.922 -6.641) 13.036 20.024 ( 2.793 12.452 14.487) 19.306 20.400 ( 2.686 15.695 -12.277) 20.106 21.349 ( 3.450 -4.152 4.493) 7.024 21.454 ( 3.843 -2.152 -2.633) 5.132 21.920 ( 1.587 0.088 2.368) 2.852 22.057 ( -2.503 3.156 -3.722) 5.484 22.185 ( -0.620 2.282 5.820) 6.282 22.334 ( 0.127 1.965 -5.636) 5.970 22.718 ( 1.581 -8.716 3.473) 9.515 22.831 ( -0.660 -7.617 -2.148) 7.941 22.846 ( -4.965 -9.214 2.608) 10.787 22.894 ( -1.169 -8.724 -2.178) 9.068 ======================= Grid point 181 (78/102) ======================= q-point: (-0.36 -0.64 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -3.746 -0.617 4.953) 6.240 1.600 ( 3.200 0.893 -4.318) 5.449 1.761 ( -4.067 -3.750 0.977) 5.617 1.914 ( 7.599 -6.009 -7.171) 12.053 2.099 ( 0.600 -1.803 4.625) 5.000 2.204 ( 4.474 -1.790 -4.403) 6.528 2.423 ( -10.716 -5.062 5.576) 13.098 2.502 ( 3.760 -0.118 -0.114) 3.764 2.574 ( -4.855 3.687 2.176) 6.473 2.609 ( -2.007 -0.203 -0.331) 2.044 2.785 ( 2.346 -1.409 4.118) 4.944 2.932 ( -0.508 3.197 -3.688) 4.907 3.083 ( 8.157 -1.296 -0.537) 8.277 3.107 ( -5.749 -3.501 -0.224) 6.734 3.122 ( -1.222 -1.337 0.481) 1.874 3.166 ( 1.688 -0.810 -3.294) 3.789 3.371 ( 4.115 0.553 1.800) 4.526 3.439 ( -1.223 0.765 -3.546) 3.828 3.523 ( -0.350 -5.519 1.003) 5.620 3.540 ( 0.762 -3.166 3.305) 4.639 3.588 ( -3.107 3.802 -0.695) 4.959 3.679 ( 2.482 7.185 -4.269) 8.718 3.760 ( 0.757 1.219 2.120) 2.560 3.788 ( -1.193 0.851 0.586) 1.578 3.972 ( -2.725 3.372 3.738) 5.724 4.077 ( 1.046 2.661 -4.880) 5.656 4.203 ( 0.287 1.361 1.020) 1.725 4.232 ( 0.506 -0.440 -1.366) 1.521 4.385 ( 5.270 0.427 1.184) 5.418 4.442 ( -3.554 0.249 -3.209) 4.795 4.724 ( -6.873 -1.156 7.185) 10.011 4.843 ( 1.660 -2.640 -2.612) 4.068 4.948 ( 1.754 -7.647 3.601) 8.633 5.024 ( -0.784 -3.323 -0.193) 3.419 5.070 ( 1.414 -4.059 0.111) 4.300 5.132 ( 2.251 -1.830 -5.804) 6.489 5.413 ( -1.776 -4.978 4.023) 6.642 5.463 ( -0.495 -6.335 -0.100) 6.355 5.648 ( 6.330 -0.975 -0.405) 6.417 5.702 ( -7.348 -2.459 -3.658) 8.569 5.900 ( 0.778 -0.432 5.154) 5.230 5.992 ( 0.550 -1.746 -3.118) 3.616 6.306 ( 0.295 -0.205 3.975) 3.992 6.403 ( 0.683 -3.470 -4.213) 5.501 6.729 ( 2.273 2.595 1.401) 3.723 6.785 ( -2.904 4.084 -3.712) 6.236 6.984 ( -1.075 7.696 5.688) 9.630 7.081 ( -0.167 4.395 -1.683) 4.709 7.126 ( 0.197 4.345 2.033) 4.801 7.187 ( 1.467 9.665 -3.666) 10.441 7.614 ( -0.881 3.111 3.589) 4.830 7.736 ( -0.166 5.076 -5.947) 7.820 7.793 ( -0.290 3.935 6.192) 7.342 7.965 ( 2.841 1.372 -9.222) 9.747 8.380 ( 0.293 -2.002 6.010) 6.341 8.464 ( -3.130 0.160 -1.293) 3.391 8.686 ( -2.906 -0.336 2.502) 3.850 8.760 ( 3.505 -2.502 -3.552) 5.582 8.901 ( 1.613 7.706 4.006) 8.834 8.966 ( -2.087 8.531 -1.285) 8.876 9.577 ( 1.969 -1.392 5.526) 6.030 9.723 ( -0.516 1.697 -6.362) 6.605 10.098 ( -2.931 -0.838 2.450) 3.911 10.169 ( 4.983 -2.112 -4.049) 6.759 10.415 ( -8.048 -4.070 4.749) 10.193 10.524 ( 7.259 -1.789 -5.309) 9.170 10.719 ( -2.363 2.075 2.427) 3.972 10.753 ( 0.437 3.258 -0.625) 3.346 11.298 ( 0.549 6.905 2.758) 7.455 11.375 ( -0.859 5.221 -4.092) 6.690 11.557 ( 3.668 2.047 2.930) 5.121 11.598 ( -2.343 0.552 -1.070) 2.635 11.728 ( -4.409 1.204 1.632) 4.853 11.769 ( 3.529 1.660 -1.742) 4.271 12.505 ( -0.340 13.977 0.872) 14.008 12.528 ( 0.480 14.802 -1.107) 14.851 12.677 ( 0.274 -4.545 2.671) 5.279 12.735 ( -0.570 -4.461 -2.270) 5.038 13.162 ( 0.230 5.019 2.519) 5.620 13.226 ( -0.096 4.351 -2.924) 5.243 15.985 ( 0.495 -1.772 1.862) 2.617 16.027 ( -0.413 -0.478 -1.670) 1.785 17.925 ( 1.386 0.517 0.564) 1.583 17.939 ( -1.441 0.325 -0.600) 1.595 18.462 ( -2.759 3.528 3.475) 5.669 18.560 ( 3.527 4.425 -5.284) 7.742 18.931 ( -0.387 0.240 8.917) 8.929 19.139 ( -0.132 -4.210 -9.509) 10.401 19.387 ( -2.456 -0.929 1.479) 3.014 19.430 ( 1.023 2.839 -2.973) 4.236 19.837 ( 1.628 13.403 12.542) 18.429 20.082 ( -0.152 18.032 -9.159) 20.225 21.441 ( -3.846 -4.085 2.791) 6.267 21.492 ( 3.874 -0.763 -1.051) 4.086 21.933 ( -0.920 -0.201 -0.265) 0.978 21.982 ( 2.004 3.300 -3.475) 5.194 22.163 ( -2.934 0.682 6.346) 7.024 22.286 ( 1.406 2.365 -4.586) 5.347 22.865 ( 1.866 -5.391 2.280) 6.144 22.929 ( -0.343 -4.761 -2.479) 5.379 22.993 ( -2.891 -9.834 3.126) 10.716 23.057 ( 1.536 -9.218 -2.022) 9.561 ======================= Grid point 182 (79/102) ======================= q-point: (-0.27 -0.64 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.276 -4.688 -2.297) 5.228 1.592 ( 4.597 0.999 -7.711) 9.033 1.797 ( -9.024 -2.919 5.007) 10.725 1.991 ( 3.724 0.065 -0.179) 3.729 2.112 ( -7.253 -1.866 6.219) 9.735 2.298 ( -0.229 -0.036 -0.057) 0.239 2.381 ( -0.515 4.844 0.216) 4.876 2.488 ( -5.780 -6.709 2.877) 9.311 2.509 ( 1.878 2.378 -1.347) 3.316 2.590 ( 4.216 3.455 1.023) 5.546 2.874 ( -3.344 -0.024 -2.972) 4.474 2.913 ( 7.140 -5.969 -0.647) 9.329 3.054 ( -4.037 3.976 1.532) 5.870 3.100 ( -3.590 -0.641 -1.757) 4.048 3.161 ( 2.251 0.201 -0.072) 2.261 3.222 ( 3.877 -3.600 -1.776) 5.581 3.354 ( 6.217 5.496 0.506) 8.314 3.416 ( 2.734 9.168 -5.423) 10.997 3.436 ( -4.780 -0.142 4.497) 6.565 3.553 ( -1.479 2.283 -2.718) 3.845 3.579 ( -6.294 -4.263 1.864) 7.827 3.691 ( 4.285 -5.354 -0.197) 6.860 3.773 ( 2.664 0.278 3.667) 4.541 3.818 ( -1.269 -1.677 -1.681) 2.693 3.970 ( -4.932 -4.832 0.695) 6.939 4.047 ( 5.216 1.173 -2.780) 6.026 4.145 ( -2.044 1.775 2.294) 3.549 4.298 ( 4.243 -3.773 -3.068) 6.454 4.424 ( 1.757 -1.767 1.552) 2.936 4.468 ( 4.945 -1.917 -0.441) 5.321 4.717 ( -7.401 -2.307 5.431) 9.465 4.887 ( 2.003 -1.954 -3.190) 4.244 5.035 ( 1.285 -1.192 1.301) 2.183 5.066 ( -1.495 -1.251 -2.583) 3.236 5.156 ( 0.828 -6.961 1.780) 7.233 5.252 ( 5.181 -6.680 -2.504) 8.817 5.458 ( -4.625 -1.209 2.828) 5.554 5.539 ( 1.949 -1.162 -0.527) 2.329 5.660 ( -2.003 0.027 0.523) 2.070 5.688 ( -1.857 -0.446 -0.896) 2.109 5.911 ( -3.756 -0.398 2.323) 4.434 6.032 ( 4.205 -1.654 -2.948) 5.396 6.314 ( 1.639 0.205 5.536) 5.777 6.413 ( 1.466 3.477 -6.483) 7.501 6.641 ( -3.911 8.370 2.343) 9.532 6.719 ( 1.977 0.361 -1.031) 2.258 6.781 ( -5.814 10.478 2.535) 12.248 6.940 ( 5.281 9.972 -2.278) 11.511 7.085 ( -1.502 3.025 0.054) 3.378 7.109 ( 2.234 2.051 0.083) 3.034 7.558 ( -3.859 0.788 0.981) 4.059 7.690 ( 2.108 0.316 -1.218) 2.455 7.755 ( 3.837 3.162 4.130) 6.464 7.948 ( 5.657 1.532 -9.746) 11.373 8.328 ( -3.767 9.458 1.568) 10.301 8.415 ( 2.727 1.471 1.272) 3.349 8.676 ( -5.147 -1.484 3.217) 6.248 8.773 ( -2.261 -0.737 0.478) 2.426 8.876 ( -3.500 -0.611 0.494) 3.587 8.945 ( 5.308 -5.094 1.252) 7.463 9.574 ( -2.986 2.501 1.987) 4.372 9.663 ( 1.405 3.682 -5.667) 6.903 10.088 ( -5.255 -0.669 2.389) 5.811 10.243 ( 5.856 -2.822 -2.977) 7.150 10.461 ( -4.469 -5.553 1.286) 7.243 10.571 ( 4.426 1.437 -0.929) 4.745 10.680 ( -3.284 -0.149 1.223) 3.507 10.742 ( 3.751 -0.725 -0.528) 3.856 11.162 ( -1.343 8.037 3.772) 8.979 11.250 ( -0.619 7.040 -4.433) 8.343 11.461 ( -5.962 7.105 3.380) 9.872 11.528 ( -3.006 6.478 -2.090) 7.441 11.683 ( -1.997 0.099 -0.226) 2.012 11.766 ( 5.664 2.169 0.116) 6.067 12.298 ( -2.891 6.907 -0.031) 7.488 12.318 ( -0.248 8.609 0.029) 8.613 12.781 ( -0.980 -5.264 1.723) 5.625 12.822 ( 0.251 -5.404 -1.378) 5.583 13.085 ( -0.133 4.680 2.301) 5.217 13.163 ( 3.640 2.520 -2.736) 5.204 16.026 ( 1.851 -1.430 0.837) 2.485 16.035 ( 1.683 0.015 -0.705) 1.824 17.901 ( -6.028 -1.991 -0.063) 6.348 17.992 ( 6.415 -1.946 0.151) 6.706 18.386 ( -5.689 1.100 1.198) 5.917 18.521 ( 5.967 3.250 -3.121) 7.477 18.877 ( -6.526 4.024 7.915) 11.019 19.106 ( 3.243 4.890 -9.034) 10.772 19.422 ( -4.844 -3.792 1.648) 6.369 19.492 ( 0.932 -2.599 -0.260) 2.773 19.675 ( 5.880 7.274 7.614) 12.061 19.769 ( 1.076 13.201 -6.145) 14.601 21.407 ( -13.002 0.141 0.867) 13.032 21.567 ( 6.949 -1.637 0.805) 7.185 21.917 ( 0.967 1.096 -1.334) 1.979 21.954 ( 2.375 1.076 -2.985) 3.964 22.158 ( -1.704 -0.727 5.423) 5.731 22.246 ( 0.166 2.198 -3.078) 3.786 22.959 ( 0.862 -3.927 1.559) 4.312 22.977 ( -0.337 -1.517 -1.653) 2.269 23.140 ( -0.558 -7.145 2.316) 7.531 23.216 ( 2.460 -7.383 -1.798) 7.987 ======================= Grid point 183 (80/102) ======================= q-point: (-0.18 -0.64 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 0.978 1.015 1.950) 2.406 1.624 ( 1.749 -4.890 -10.344) 11.574 1.710 ( -5.642 6.529 1.682) 8.792 1.963 ( 3.544 7.046 -0.079) 7.888 2.085 ( -8.968 1.725 12.070) 15.135 2.213 ( -3.428 -0.940 0.677) 3.619 2.302 ( 1.257 7.376 -1.808) 7.698 2.517 ( 5.552 0.696 -1.062) 5.696 2.563 ( 0.358 -2.522 -2.466) 3.545 2.644 ( 6.515 -3.501 -0.676) 7.427 2.872 ( -4.791 -3.081 -0.750) 5.745 2.952 ( -0.051 3.583 2.521) 4.381 3.042 ( -0.715 0.053 -0.234) 0.754 3.090 ( 1.593 -2.490 -0.974) 3.112 3.149 ( -0.327 1.368 0.451) 1.477 3.212 ( -0.973 6.732 -1.779) 7.031 3.286 ( 1.667 2.627 0.662) 3.181 3.358 ( 8.375 -2.153 -2.087) 8.896 3.453 ( -2.295 -1.254 2.497) 3.616 3.541 ( -1.291 -0.778 -2.773) 3.156 3.617 ( -1.648 -2.656 1.120) 3.320 3.703 ( -2.196 2.960 -0.980) 3.814 3.772 ( -3.307 0.209 1.544) 3.656 3.889 ( 4.212 -6.205 1.589) 7.666 4.004 ( -1.349 -0.490 -2.848) 3.189 4.090 ( 2.190 -1.536 0.273) 2.688 4.131 ( 1.936 0.474 -0.506) 2.056 4.421 ( 7.935 -4.146 -6.166) 10.870 4.467 ( -3.180 -3.740 5.824) 7.617 4.553 ( 4.543 -3.199 3.190) 6.406 4.717 ( -6.487 -2.563 1.623) 7.161 4.928 ( 2.867 -1.319 -4.691) 5.653 5.042 ( -1.932 -0.632 -0.568) 2.111 5.091 ( 2.040 -1.549 0.165) 2.567 5.301 ( 0.915 -4.039 2.265) 4.720 5.336 ( -3.893 -2.302 2.795) 5.316 5.418 ( -3.609 -1.736 -4.364) 5.923 5.527 ( 2.050 2.810 -0.337) 3.494 5.658 ( 0.362 1.004 3.361) 3.527 5.685 ( 0.272 0.163 -0.191) 0.370 5.880 ( -6.453 -1.212 0.134) 6.567 6.101 ( 4.982 -2.275 0.255) 5.483 6.263 ( 0.517 9.139 -3.172) 9.688 6.356 ( 4.633 0.907 2.688) 5.432 6.506 ( -0.979 5.602 1.346) 5.844 6.539 ( 0.723 12.650 -1.606) 12.772 6.739 ( -1.805 -0.845 -0.726) 2.121 6.873 ( 3.002 0.612 -0.307) 3.079 7.017 ( 0.002 3.943 1.927) 4.389 7.070 ( 3.002 3.631 -1.539) 4.956 7.555 ( -1.179 -2.206 0.007) 2.501 7.719 ( -2.226 -1.943 3.758) 4.781 7.767 ( 9.934 0.473 -2.522) 10.260 7.948 ( 5.448 1.600 -6.295) 8.477 8.135 ( -6.390 7.331 3.566) 10.358 8.415 ( 7.140 1.890 -4.765) 8.789 8.675 ( -10.240 -3.622 5.037) 11.972 8.786 ( -5.049 -3.076 1.996) 6.240 8.893 ( -2.611 -3.061 0.666) 4.078 9.075 ( 2.590 -4.784 3.717) 6.589 9.480 ( -5.233 3.859 -0.703) 6.540 9.586 ( 1.632 4.665 -6.523) 8.184 10.059 ( -5.770 -0.311 1.659) 6.012 10.331 ( 6.566 -1.510 -0.595) 6.764 10.514 ( 0.209 0.261 0.791) 0.858 10.557 ( 2.125 0.244 -1.680) 2.720 10.701 ( 0.076 -3.678 2.276) 4.325 10.809 ( 4.034 -2.516 -0.871) 4.834 11.035 ( -1.591 5.734 3.868) 7.097 11.124 ( -0.688 4.614 -4.462) 6.455 11.284 ( -9.719 5.714 1.244) 11.343 11.362 ( -3.906 7.773 -0.267) 8.703 11.682 ( -0.202 -0.812 -0.675) 1.075 11.781 ( 3.850 0.283 0.646) 3.914 12.200 ( -1.826 4.061 -0.017) 4.452 12.207 ( -1.062 2.955 -0.008) 3.140 12.822 ( -1.282 -0.461 0.003) 1.362 12.902 ( 3.219 0.105 -0.228) 3.229 13.028 ( -3.971 -1.907 1.313) 4.597 13.191 ( 4.780 -2.185 -1.146) 5.379 16.043 ( 2.322 0.744 1.737) 2.994 16.069 ( 2.014 -1.879 -1.674) 3.223 17.903 ( -5.200 -2.476 -0.178) 5.762 18.093 ( 6.925 -3.608 0.938) 7.865 18.349 ( -3.788 -0.654 -1.590) 4.160 18.507 ( 4.398 3.017 -1.411) 5.517 18.765 ( -7.799 3.392 6.112) 10.474 19.027 ( 3.178 3.862 -5.723) 7.601 19.349 ( -6.280 5.621 2.607) 8.822 19.510 ( -7.363 -0.607 -1.015) 7.458 19.538 ( 4.060 4.052 0.129) 5.737 19.848 ( 14.947 -6.110 0.150) 16.148 21.267 ( -14.882 3.925 0.346) 15.395 21.623 ( 7.206 1.796 0.374) 7.436 21.909 ( 0.157 -0.479 0.719) 0.878 21.983 ( 2.205 -2.704 -3.164) 4.709 22.157 ( -1.327 2.274 3.342) 4.254 22.216 ( 0.394 -0.606 -2.121) 2.241 22.973 ( -0.446 1.312 0.492) 1.470 23.025 ( 0.632 -2.605 -0.274) 2.694 23.241 ( -0.742 -4.331 2.020) 4.836 23.337 ( 1.665 -4.892 -1.761) 5.459 ======================= Grid point 185 (81/102) ======================= q-point: (-0.09 0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -7.154 10.428 7.274) 14.589 1.539 ( -0.140 8.634 1.821) 8.825 1.725 ( 2.834 -1.820 -8.654) 9.286 1.820 ( 8.687 11.054 -0.400) 14.065 2.038 ( 1.893 0.894 1.985) 2.885 2.186 ( 3.165 2.382 -0.936) 4.070 2.283 ( -2.069 -2.474 -1.708) 3.649 2.514 ( 6.118 5.160 0.208) 8.006 2.565 ( 2.080 0.341 -0.356) 2.138 2.716 ( 4.192 1.686 0.039) 4.518 2.831 ( -4.337 7.342 6.916) 10.980 2.919 ( -3.647 -0.786 -1.386) 3.980 3.010 ( 5.588 -1.555 -1.119) 5.907 3.052 ( -2.206 6.765 -3.682) 8.011 3.174 ( -0.812 -3.915 0.858) 4.089 3.205 ( 1.484 -4.154 -1.011) 4.525 3.301 ( 1.295 -1.676 1.369) 2.522 3.423 ( 2.011 3.328 -2.258) 4.497 3.471 ( -3.595 2.096 0.482) 4.189 3.486 ( 0.922 -2.875 1.305) 3.289 3.620 ( -0.564 0.524 -1.578) 1.756 3.693 ( 0.138 -2.715 -2.373) 3.608 3.792 ( -5.563 -4.915 5.149) 9.034 3.956 ( 0.522 4.199 -2.324) 4.828 4.022 ( 4.190 -4.426 3.105) 6.840 4.094 ( -2.364 0.462 2.251) 3.297 4.144 ( 2.565 0.620 -5.355) 5.970 4.433 ( -1.471 0.129 -0.308) 1.508 4.583 ( 3.586 -3.193 0.787) 4.866 4.654 ( 0.279 -3.413 1.817) 3.876 4.715 ( -1.267 -1.497 0.182) 1.969 4.945 ( 1.282 -0.058 -3.989) 4.190 5.046 ( -1.924 -1.829 -0.792) 2.771 5.128 ( 0.038 -0.795 1.008) 1.284 5.177 ( -9.703 4.528 2.070) 10.906 5.413 ( -5.505 -2.157 -2.374) 6.371 5.450 ( 1.923 1.197 1.734) 2.853 5.535 ( 2.467 -1.527 1.953) 3.497 5.638 ( 2.692 -0.310 0.277) 2.724 5.674 ( 3.177 2.358 -0.710) 4.020 5.873 ( -7.083 -3.810 0.229) 8.046 6.148 ( 0.650 -0.068 1.248) 1.409 6.189 ( 7.756 2.660 -0.851) 8.244 6.279 ( 3.795 10.195 1.086) 10.933 6.374 ( 2.195 4.009 -2.352) 5.140 6.510 ( 6.414 -1.856 -0.925) 6.742 6.744 ( -1.828 -1.583 1.843) 3.040 6.874 ( -1.048 1.142 -1.229) 1.978 6.982 ( 5.156 2.466 1.420) 5.889 7.071 ( 6.204 -1.133 -1.141) 6.409 7.606 ( 1.312 -2.868 1.837) 3.650 7.734 ( 2.443 -0.208 -1.904) 3.104 7.861 ( 4.484 -4.021 -3.929) 7.191 7.921 ( -1.560 1.652 -1.136) 2.541 8.039 ( -2.934 0.013 6.661) 7.279 8.426 ( 7.135 1.769 -8.304) 11.091 8.678 ( -11.620 -4.743 5.675) 13.774 8.810 ( -5.829 -3.802 1.682) 7.160 8.927 ( -3.190 -2.493 0.027) 4.049 9.153 ( -1.296 -1.911 8.244) 8.561 9.382 ( -4.985 2.347 -1.728) 5.774 9.518 ( 3.986 2.957 -8.899) 10.189 10.025 ( -4.276 0.286 1.484) 4.535 10.340 ( 3.776 5.222 0.307) 6.452 10.500 ( 3.756 1.469 1.053) 4.168 10.580 ( 3.715 -0.239 -1.843) 4.154 10.789 ( -1.394 -1.037 2.774) 3.274 10.861 ( 3.976 -3.159 -1.871) 5.412 10.981 ( 1.349 -0.391 0.881) 1.658 11.064 ( -0.842 2.864 -1.176) 3.208 11.160 ( -7.883 -0.547 0.313) 7.908 11.245 ( -3.149 1.300 0.328) 3.423 11.706 ( -0.521 -2.374 -0.733) 2.539 11.816 ( 2.683 -1.600 0.476) 3.160 12.134 ( -0.365 2.384 0.233) 2.423 12.165 ( 0.151 1.880 -0.166) 1.893 12.797 ( 0.523 2.655 0.739) 2.805 12.856 ( 1.683 4.727 -1.099) 5.137 13.107 ( -4.196 -7.981 0.570) 9.035 13.281 ( 1.990 -4.751 -0.256) 5.158 16.050 ( 1.532 0.473 2.258) 2.770 16.119 ( 2.312 -2.593 -2.259) 4.144 17.894 ( -5.291 -0.438 -0.401) 5.324 18.181 ( 1.741 0.264 2.618) 3.155 18.371 ( 5.180 -4.167 -3.253) 7.402 18.425 ( -0.044 7.794 -1.568) 7.951 18.699 ( -6.576 -0.612 4.680) 8.095 19.046 ( 4.822 -4.698 -3.765) 7.714 19.235 ( -4.423 2.804 1.810) 5.540 19.446 ( -0.165 0.672 0.220) 0.726 19.588 ( -2.430 -4.824 -0.317) 5.410 20.059 ( 12.086 -5.528 0.042) 13.290 21.068 ( -12.362 6.836 -0.125) 14.127 21.607 ( 7.423 5.916 0.330) 9.497 21.948 ( -1.463 -3.816 0.490) 4.116 22.035 ( 1.009 -0.265 -0.800) 1.315 22.098 ( -1.632 1.459 2.469) 3.299 22.251 ( 1.940 -2.360 -3.641) 4.753 22.932 ( -1.005 3.115 3.341) 4.677 23.057 ( 0.817 -0.736 -2.629) 2.849 23.292 ( -2.195 -2.160 2.322) 3.857 23.400 ( -0.815 -2.131 -1.809) 2.912 ======================= Grid point 192 (82/102) ======================= q-point: ( 0.45 0.45 -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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 5.776 0.000 0.949) 5.853 1.479 ( 4.436 0.000 -2.562) 5.123 1.788 ( 12.569 0.000 3.284) 12.991 1.932 ( 3.175 0.000 1.573) 3.543 2.097 ( -4.177 -0.000 2.654) 4.949 2.161 ( -7.999 -0.000 -2.475) 8.373 2.220 ( -0.477 -0.000 2.162) 2.214 2.338 ( 5.143 0.000 -4.930) 7.125 2.458 ( -5.065 -0.000 2.128) 5.494 2.473 ( -2.054 -0.000 -4.792) 5.214 2.795 ( 19.662 0.000 -4.793) 20.238 2.923 ( -5.561 -0.000 2.595) 6.137 2.982 ( 0.910 0.000 -1.799) 2.016 2.996 ( -4.172 -0.000 0.914) 4.271 3.060 ( -0.701 -0.000 5.737) 5.780 3.189 ( 0.814 0.000 -4.281) 4.358 3.352 ( -10.318 -0.000 9.522) 14.040 3.445 ( 8.976 0.000 -1.850) 9.165 3.507 ( 9.494 0.000 -11.251) 14.722 3.569 ( -6.393 -0.000 1.833) 6.651 3.749 ( -7.404 -0.000 5.180) 9.036 3.783 ( -0.538 -0.000 -0.405) 0.673 3.927 ( 11.916 0.000 -3.531) 12.428 3.949 ( 10.449 0.000 3.215) 10.933 4.126 ( -2.927 -0.000 2.129) 3.619 4.194 ( -4.127 -0.000 -0.163) 4.130 4.282 ( -3.344 -0.000 1.110) 3.523 4.338 ( -5.372 -0.000 3.821) 6.592 4.456 ( 9.269 0.000 -1.732) 9.430 4.539 ( -1.483 -0.000 -2.941) 3.294 4.617 ( -11.899 -0.000 1.281) 11.968 4.682 ( -4.777 -0.000 -5.232) 7.085 4.834 ( -1.613 -0.000 0.384) 1.658 4.869 ( -0.021 -0.000 -2.693) 2.693 5.030 ( -2.898 -0.000 0.515) 2.943 5.066 ( -1.443 -0.000 -2.122) 2.566 5.162 ( -8.856 -0.000 11.619) 14.609 5.293 ( 9.785 0.000 -8.440) 12.922 5.380 ( -1.188 -0.000 8.807) 8.887 5.627 ( -1.565 -0.000 -9.511) 9.638 5.912 ( -3.444 -0.000 4.854) 5.951 5.935 ( 3.120 0.000 -0.861) 3.236 6.200 ( -5.118 -0.000 3.810) 6.380 6.207 ( 7.968 0.000 -3.927) 8.883 6.795 ( 6.414 0.000 -0.278) 6.420 6.905 ( -2.731 -0.000 -1.423) 3.080 7.066 ( -1.305 -0.000 2.142) 2.509 7.070 ( 3.458 0.000 -0.427) 3.484 7.419 ( 3.927 0.000 -3.895) 5.531 7.442 ( -2.442 -0.000 -1.757) 3.008 7.686 ( 2.043 0.000 6.349) 6.670 7.976 ( -1.675 -0.000 4.625) 4.919 7.978 ( -2.602 -0.000 -3.535) 4.389 8.027 ( -3.701 -0.000 -3.652) 5.199 8.393 ( -4.242 -0.000 3.908) 5.768 8.430 ( 3.696 0.000 -4.750) 6.018 8.583 ( -2.941 -0.000 3.749) 4.765 8.668 ( 1.361 0.000 -3.695) 3.938 9.367 ( 1.606 0.000 3.680) 4.016 9.441 ( -5.640 -0.000 1.122) 5.750 9.504 ( 1.374 0.000 4.954) 5.141 9.726 ( 1.500 0.000 -7.523) 7.671 10.059 ( 3.303 0.000 0.059) 3.303 10.110 ( -1.374 -0.000 -1.004) 1.701 10.332 ( -6.061 -0.000 6.934) 9.210 10.425 ( 8.620 0.000 -8.502) 12.108 10.857 ( -1.721 -0.000 4.415) 4.739 10.915 ( 1.147 0.000 -1.236) 1.686 11.393 ( 9.267 0.000 0.024) 9.267 11.397 ( 3.407 0.000 -1.000) 3.551 11.495 ( -0.760 -0.000 1.449) 1.636 11.541 ( -5.840 -0.000 -1.176) 5.957 11.742 ( 1.874 0.000 0.956) 2.104 11.790 ( -1.198 -0.000 -0.889) 1.492 12.479 ( -1.558 -0.000 1.233) 1.987 12.511 ( -0.532 -0.000 -1.156) 1.272 13.241 ( 0.490 0.000 3.116) 3.154 13.250 ( 7.503 0.000 -1.748) 7.704 13.371 ( -3.880 -0.000 0.130) 3.882 13.400 ( -1.744 -0.000 -1.653) 2.403 15.914 ( -2.009 -0.000 2.693) 3.360 16.021 ( -6.475 -0.000 -2.168) 6.828 18.044 ( 2.991 0.000 0.413) 3.019 18.058 ( 2.808 0.000 -0.414) 2.839 18.588 ( 3.980 0.000 -1.044) 4.115 18.603 ( 2.946 0.000 1.253) 3.202 18.749 ( -5.328 -0.000 -0.596) 5.361 18.758 ( -4.694 -0.000 0.434) 4.714 19.808 ( -1.129 -0.000 0.423) 1.206 19.842 ( -1.939 -0.000 -1.084) 2.222 20.263 ( 0.226 0.000 12.283) 12.285 20.688 ( 2.691 0.000 -19.332) 19.519 21.227 ( -0.786 -0.000 9.567) 9.599 21.417 ( 11.064 0.000 -8.043) 13.678 21.965 ( -1.670 -0.000 11.865) 11.982 22.171 ( -5.483 -0.000 9.103) 10.627 22.263 ( 6.229 0.000 -5.412) 8.252 22.354 ( -2.163 -0.000 -10.946) 11.158 22.486 ( 1.223 0.000 0.876) 1.505 22.511 ( -1.727 -0.000 -0.001) 1.727 22.703 ( -2.631 -0.000 1.846) 3.214 22.726 ( -1.411 -0.000 -0.728) 1.588 ======================= Grid point 193 (83/102) ======================= q-point: (-0.45 -0.55 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -3.866 0.185 5.166) 6.455 1.568 ( 5.378 -4.507 -5.455) 8.888 1.738 ( -3.032 6.234 6.403) 9.437 1.924 ( 1.498 3.263 -6.975) 7.845 2.073 ( 0.197 -0.327 2.879) 2.905 2.152 ( 2.151 -1.823 -3.562) 4.543 2.254 ( -5.347 -3.032 5.348) 8.148 2.425 ( 9.941 -4.275 -7.780) 13.328 2.459 ( -3.724 -3.331 2.369) 5.529 2.498 ( 0.250 -3.997 -1.791) 4.387 2.843 ( -13.307 0.071 3.810) 13.842 2.951 ( 15.532 -2.360 -5.339) 16.592 2.986 ( -1.581 -1.752 1.265) 2.677 3.007 ( -2.500 -1.746 -0.537) 3.097 3.064 ( -0.749 0.331 5.177) 5.242 3.175 ( -0.889 0.352 -3.588) 3.713 3.298 ( -6.638 -0.806 8.537) 10.844 3.481 ( 4.030 1.538 -3.245) 5.397 3.501 ( 0.233 2.291 -3.324) 4.043 3.545 ( 6.903 2.409 -5.625) 9.225 3.691 ( -5.173 2.689 5.593) 8.079 3.772 ( 2.245 1.113 -1.052) 2.718 3.954 ( 2.294 2.649 2.393) 4.243 3.988 ( -6.546 5.387 1.059) 8.544 4.051 ( 4.998 0.668 1.374) 5.226 4.147 ( -2.599 2.577 -4.853) 6.079 4.254 ( -1.516 2.103 4.744) 5.406 4.323 ( 0.888 0.859 -0.154) 1.245 4.465 ( 2.264 3.821 -0.262) 4.449 4.512 ( 1.507 1.847 -3.366) 4.124 4.606 ( -5.484 -4.823 1.909) 7.548 4.687 ( 4.278 -4.029 -4.229) 7.240 4.811 ( -2.565 1.595 4.231) 5.199 4.911 ( 1.053 -3.100 -4.772) 5.787 5.038 ( -2.428 0.843 2.349) 3.482 5.071 ( 2.446 -5.211 -0.472) 5.776 5.196 ( -2.839 -6.033 3.661) 7.607 5.268 ( 0.791 2.561 1.085) 2.891 5.489 ( 4.585 -6.542 1.494) 8.127 5.616 ( -4.369 -2.303 -6.708) 8.330 5.898 ( -0.486 0.498 3.995) 4.055 5.960 ( 2.499 -0.293 -1.708) 3.041 6.199 ( -4.368 -3.489 3.369) 6.527 6.280 ( 4.305 -2.887 -3.485) 6.246 6.821 ( 4.312 1.929 0.814) 4.794 6.866 ( -3.318 1.109 -3.217) 4.753 7.058 ( -3.321 -0.452 2.316) 4.075 7.082 ( 1.072 0.455 0.706) 1.362 7.389 ( -0.200 3.729 -0.880) 3.837 7.429 ( 2.216 1.985 -3.957) 4.950 7.720 ( 4.386 1.164 7.715) 8.951 7.908 ( -7.004 2.640 -6.942) 10.209 7.938 ( -2.889 2.929 3.040) 5.116 8.005 ( 4.613 1.572 -1.391) 5.068 8.377 ( -4.336 -0.731 1.205) 4.559 8.390 ( 1.845 4.023 0.710) 4.483 8.626 ( 1.798 -3.698 1.140) 4.267 8.678 ( 0.430 -0.704 -3.190) 3.295 9.323 ( -0.834 9.382 1.762) 9.582 9.354 ( 1.861 6.363 -0.869) 6.686 9.504 ( -0.275 0.164 9.332) 9.338 9.714 ( -0.445 -0.631 -8.250) 8.286 10.089 ( -0.210 -0.288 -0.082) 0.366 10.108 ( 2.782 -1.186 -1.871) 3.556 10.315 ( -8.017 -1.723 6.594) 10.522 10.470 ( 7.128 -0.728 -7.623) 10.462 10.824 ( -2.586 2.787 4.699) 6.045 10.891 ( 0.639 2.915 -1.499) 3.339 11.413 ( 5.785 0.579 0.150) 5.816 11.432 ( -6.625 -0.180 -1.497) 6.794 11.516 ( 3.820 -2.787 2.067) 5.161 11.550 ( -2.780 -3.225 -0.981) 4.369 11.757 ( 0.441 -0.256 0.372) 0.631 11.767 ( -0.309 1.244 -0.482) 1.369 12.500 ( 0.068 -2.693 1.415) 3.043 12.534 ( 0.078 -2.861 -1.389) 3.181 13.125 ( 0.083 12.766 2.913) 13.094 13.195 ( -0.826 12.599 -3.022) 12.983 13.307 ( 1.552 3.053 2.036) 3.984 13.355 ( -0.853 2.700 -2.097) 3.524 15.927 ( 0.707 -1.000 3.164) 3.392 15.997 ( -0.772 -1.057 -2.780) 3.073 18.019 ( 0.545 3.565 0.352) 3.623 18.027 ( -0.511 3.702 -0.383) 3.757 18.600 ( -4.349 2.567 1.119) 5.172 18.628 ( 4.554 -1.284 -1.298) 4.907 18.763 ( 0.754 -5.641 2.473) 6.205 18.820 ( -1.118 -7.730 -2.346) 8.155 19.670 ( 0.467 12.002 2.941) 12.366 19.754 ( -1.080 9.057 -4.657) 10.241 20.237 ( 0.200 6.404 14.304) 15.674 20.594 ( 0.645 7.747 -17.187) 18.864 21.275 ( -3.004 -4.288 7.560) 9.196 21.468 ( 6.779 -0.221 -8.400) 10.796 21.944 ( -3.389 2.377 10.370) 11.165 22.112 ( -1.266 3.930 0.813) 4.208 22.233 ( -2.663 4.047 -0.422) 4.863 22.346 ( 5.897 -2.091 -6.740) 9.197 22.564 ( -2.960 -7.733 3.701) 9.069 22.636 ( 0.185 -10.726 -2.818) 11.091 22.724 ( 0.124 -3.989 2.469) 4.693 22.771 ( 0.421 -4.976 -1.581) 5.238 ======================= Grid point 194 (84/102) ======================= q-point: (-0.36 -0.55 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -8.771 -0.409 8.591) 12.284 1.540 ( -8.511 0.199 4.739) 9.744 1.782 ( 4.114 0.180 -10.949) 11.698 1.848 ( 2.672 -3.306 -7.217) 8.375 2.089 ( 0.508 0.287 1.554) 1.660 2.192 ( 2.208 -1.797 -5.257) 5.978 2.280 ( -6.366 -3.555 7.038) 10.134 2.509 ( -1.923 -2.915 3.739) 5.116 2.555 ( -3.408 -2.025 0.123) 3.966 2.573 ( 11.001 -4.029 -4.981) 12.730 2.771 ( -7.645 -0.508 5.420) 9.386 2.954 ( -3.753 1.253 0.324) 3.970 2.995 ( -7.716 -3.242 1.748) 8.550 3.076 ( -1.185 -1.858 3.259) 3.934 3.114 ( 10.758 -2.766 -3.501) 11.646 3.171 ( 0.401 -0.304 -3.237) 3.276 3.353 ( -0.226 -6.040 3.879) 7.182 3.429 ( -3.040 2.858 -3.789) 5.636 3.470 ( 2.209 0.847 -3.801) 4.477 3.531 ( 2.612 1.947 -1.590) 3.625 3.639 ( -0.904 2.185 3.723) 4.410 3.749 ( 2.979 3.217 -2.566) 5.080 3.805 ( -7.001 6.059 3.694) 9.969 3.934 ( 4.162 5.310 4.068) 7.878 4.019 ( -6.858 2.891 -4.075) 8.485 4.068 ( -0.088 2.292 -0.303) 2.313 4.255 ( 3.417 3.738 -1.291) 5.227 4.268 ( 2.241 0.214 0.021) 2.251 4.444 ( -0.717 4.315 -3.402) 5.541 4.476 ( 8.784 0.980 -0.705) 8.866 4.633 ( -8.360 -2.747 5.939) 10.616 4.804 ( 2.879 -2.622 0.955) 4.010 4.852 ( 6.248 -6.323 2.579) 9.256 4.968 ( 2.255 -3.418 -4.475) 6.066 5.033 ( 0.517 -1.321 1.496) 2.061 5.141 ( 4.193 1.229 -3.812) 5.798 5.314 ( -1.119 -7.929 3.069) 8.575 5.321 ( 0.656 -7.247 2.402) 7.662 5.579 ( -8.719 -3.474 -2.096) 9.617 5.649 ( 4.943 -3.370 -1.375) 6.138 5.897 ( -1.272 -0.336 2.875) 3.162 5.986 ( 3.886 -0.552 -1.540) 4.217 6.261 ( -3.129 -5.209 1.627) 6.290 6.337 ( 0.445 -2.305 -2.372) 3.337 6.789 ( -2.190 2.218 -1.102) 3.307 6.815 ( -0.008 2.902 -0.861) 3.028 7.046 ( -4.121 -0.862 0.524) 4.243 7.070 ( -1.304 1.801 3.662) 4.285 7.291 ( 1.553 7.458 -0.543) 7.637 7.359 ( 3.875 7.628 -3.676) 9.312 7.703 ( 0.457 5.972 4.881) 7.726 7.787 ( -3.253 3.284 -0.579) 4.658 7.884 ( 2.140 2.913 -1.111) 3.782 8.009 ( 5.741 2.209 -5.522) 8.266 8.335 ( -3.761 -0.791 5.022) 6.324 8.412 ( -0.596 -2.910 -0.262) 2.982 8.671 ( -0.998 0.093 -0.561) 1.149 8.720 ( 3.375 -3.925 -0.904) 5.255 9.118 ( 0.474 13.159 2.830) 13.469 9.175 ( 2.218 13.717 -1.838) 14.016 9.553 ( -1.471 -2.899 8.512) 9.112 9.707 ( -0.564 -0.810 -8.777) 8.832 10.077 ( -1.853 -0.030 0.538) 1.930 10.161 ( 3.904 -1.576 -3.563) 5.515 10.302 ( -9.001 -3.000 6.042) 11.248 10.527 ( 5.805 -1.891 -5.734) 8.376 10.753 ( -3.287 3.491 3.864) 6.158 10.829 ( 1.002 4.044 -0.676) 4.221 11.376 ( -6.090 0.794 -1.213) 6.260 11.420 ( 2.348 3.313 1.007) 4.184 11.553 ( -5.554 -1.612 -2.075) 6.144 11.598 ( 2.911 -1.479 2.109) 3.887 11.712 ( -4.147 1.339 0.336) 4.371 11.801 ( 4.343 -1.017 -0.291) 4.470 12.570 ( 0.226 -4.146 0.980) 4.266 12.603 ( 1.414 -4.303 -1.168) 4.677 12.807 ( -7.393 18.264 1.758) 19.782 12.893 ( -0.634 19.192 -1.315) 19.247 13.257 ( 2.136 3.636 1.716) 4.552 13.305 ( 2.922 4.322 -2.175) 5.652 15.962 ( 1.482 -1.417 2.084) 2.924 16.031 ( 5.123 -0.984 -1.868) 5.541 17.917 ( -6.828 3.300 -0.067) 7.584 17.996 ( 3.932 1.969 0.015) 4.397 18.478 ( -11.354 2.845 1.569) 11.810 18.668 ( 8.607 3.787 -2.950) 9.856 18.865 ( -4.199 -5.097 3.807) 7.623 19.019 ( 8.477 -11.299 -2.692) 14.380 19.479 ( 1.653 10.017 3.626) 10.781 19.549 ( 0.237 10.419 -5.268) 11.678 20.098 ( -1.128 12.085 13.985) 18.518 20.351 ( -1.727 15.072 -13.927) 20.593 21.332 ( -7.217 -3.951 4.050) 9.171 21.495 ( 2.487 -1.041 -3.729) 4.601 21.905 ( -4.993 -0.433 3.002) 5.842 22.051 ( 3.099 2.618 -2.333) 4.680 22.174 ( -3.001 2.231 4.692) 6.000 22.346 ( 3.771 3.088 -5.172) 7.106 22.762 ( 1.773 -9.691 1.151) 9.919 22.794 ( -1.649 -9.972 3.867) 10.822 22.825 ( 1.027 -6.656 -2.000) 7.026 22.909 ( 3.554 -8.636 -1.462) 9.453 ======================= Grid point 195 (85/102) ======================= q-point: (-0.27 -0.55 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -5.443 -3.349 0.933) 6.458 1.550 ( -9.513 -6.041 5.139) 12.385 1.707 ( -1.959 1.143 -8.001) 8.317 1.991 ( 5.508 -4.316 -3.912) 8.016 2.068 ( -5.924 0.638 2.987) 6.665 2.243 ( -0.068 -4.127 -4.849) 6.368 2.334 ( -2.429 -5.674 3.527) 7.109 2.465 ( -5.991 5.886 4.704) 9.627 2.537 ( 0.957 -0.422 2.541) 2.748 2.670 ( 5.308 1.142 -0.441) 5.447 2.794 ( -5.599 -4.952 3.073) 8.081 2.943 ( 7.021 0.914 -3.872) 8.070 2.996 ( -8.264 -3.108 1.136) 8.902 3.107 ( -1.621 0.216 -0.670) 1.768 3.159 ( -0.121 -2.162 -0.726) 2.284 3.198 ( 4.462 -0.441 -2.370) 5.072 3.379 ( -2.319 -1.466 -0.814) 2.862 3.447 ( -6.483 -1.583 1.945) 6.951 3.485 ( 4.904 -0.418 -2.829) 5.677 3.534 ( -0.794 3.298 -1.030) 3.545 3.567 ( 0.462 -2.505 2.923) 3.878 3.688 ( 0.725 6.148 -2.257) 6.589 3.747 ( 0.440 -1.671 -0.321) 1.758 3.870 ( -4.342 3.534 5.173) 7.622 3.921 ( 6.073 3.551 -1.226) 7.141 4.079 ( -0.406 -3.424 -2.360) 4.179 4.172 ( 0.848 4.435 0.168) 4.519 4.313 ( 7.344 1.911 -2.104) 7.875 4.402 ( 0.222 -1.066 0.251) 1.117 4.522 ( 7.172 0.550 0.237) 7.197 4.638 ( -4.306 -2.195 5.009) 6.961 4.860 ( 2.303 -1.650 -0.940) 2.985 4.989 ( 1.847 -4.285 -0.449) 4.688 5.035 ( 1.711 -2.888 -0.119) 3.359 5.093 ( 1.551 -1.882 1.707) 2.977 5.176 ( 6.283 -4.824 -5.418) 9.597 5.406 ( -2.164 -2.715 4.140) 5.403 5.482 ( 2.636 -7.065 0.396) 7.551 5.562 ( -8.258 -3.295 -1.918) 9.096 5.703 ( 0.062 -0.311 1.617) 1.648 5.900 ( -0.505 0.380 0.584) 0.861 6.028 ( 3.843 -1.479 -1.649) 4.435 6.309 ( -2.309 -1.915 3.670) 4.740 6.383 ( -0.903 -4.188 -4.368) 6.118 6.708 ( -5.315 3.676 -2.922) 7.093 6.764 ( 1.305 3.292 2.657) 4.427 6.964 ( -4.062 10.038 5.143) 11.988 7.025 ( -5.031 -0.240 -1.866) 5.371 7.178 ( 5.212 7.531 -1.854) 9.345 7.228 ( 3.901 8.078 -1.182) 9.048 7.589 ( -2.164 4.576 0.408) 5.078 7.733 ( 1.187 3.244 2.819) 4.459 7.861 ( 6.479 3.168 -0.763) 7.252 7.996 ( 5.683 1.690 -7.684) 9.705 8.370 ( -4.502 -4.256 5.066) 8.004 8.425 ( -2.345 2.292 -0.049) 3.279 8.658 ( -2.335 -0.208 0.791) 2.474 8.798 ( 3.763 0.135 -0.594) 3.812 8.918 ( -1.200 8.725 1.826) 8.995 8.972 ( 3.644 7.291 0.097) 8.151 9.574 ( -5.621 0.047 5.422) 7.810 9.691 ( -0.041 0.654 -7.859) 7.886 10.065 ( -2.019 0.502 0.787) 2.224 10.203 ( 0.104 -3.386 -1.925) 3.896 10.341 ( -2.396 -5.189 2.499) 6.238 10.593 ( 4.148 -2.374 -3.208) 5.756 10.676 ( -3.556 3.025 1.906) 5.042 10.783 ( 2.461 2.065 0.919) 3.342 11.286 ( -3.762 5.815 -0.034) 6.926 11.339 ( -1.736 5.238 -0.373) 5.531 11.504 ( -7.100 1.999 -0.477) 7.392 11.577 ( -6.091 3.964 1.608) 7.444 11.686 ( 1.915 0.385 -0.746) 2.091 11.839 ( 4.277 0.741 0.101) 4.342 12.437 ( -7.282 13.405 -0.007) 15.255 12.530 ( -1.928 15.629 -0.102) 15.748 12.677 ( -1.597 -5.028 0.757) 5.329 12.719 ( 0.175 -5.427 -0.371) 5.442 13.204 ( 3.637 6.312 1.613) 7.461 13.247 ( 4.549 3.573 -2.084) 6.149 16.006 ( 2.631 -1.554 -0.168) 3.060 16.078 ( 6.248 0.640 0.256) 6.285 17.836 ( -6.516 -0.121 -0.088) 6.518 18.015 ( 4.871 -0.500 0.130) 4.898 18.362 ( -9.684 1.457 1.116) 9.856 18.633 ( 6.503 5.055 -2.806) 8.701 18.871 ( -7.763 0.383 3.241) 8.421 19.205 ( 8.722 1.371 -3.352) 9.444 19.384 ( 1.037 2.514 2.043) 3.401 19.461 ( 3.973 -1.653 -0.766) 4.371 19.885 ( -1.126 11.789 8.817) 14.764 20.023 ( -2.103 16.384 -9.049) 18.835 21.302 ( -13.375 -0.942 1.215) 13.463 21.548 ( 1.465 -3.558 0.565) 3.889 21.903 ( -1.064 -1.689 -2.286) 3.035 22.037 ( 5.499 3.668 -1.807) 6.853 22.130 ( -4.518 -0.487 5.326) 7.001 22.300 ( 2.193 3.585 -2.860) 5.083 22.873 ( -2.059 -5.776 2.753) 6.722 22.928 ( 1.634 -4.145 -3.524) 5.680 23.014 ( 4.266 -9.200 2.365) 10.413 23.093 ( 3.960 -8.822 -0.962) 9.718 ======================= Grid point 196 (86/102) ======================= q-point: (-0.18 -0.55 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( -2.246 -7.311 -6.389) 9.965 1.586 ( -3.134 -2.449 -1.782) 4.358 1.713 ( -2.750 -2.782 -0.769) 3.987 1.969 ( -11.224 0.605 9.470) 14.698 2.075 ( 1.639 -0.410 0.612) 1.797 2.212 ( -7.164 3.044 0.665) 7.812 2.403 ( -2.533 -0.906 3.111) 4.113 2.464 ( 4.189 -5.417 -2.637) 7.338 2.559 ( 5.027 1.366 -3.317) 6.176 2.656 ( 3.569 0.198 3.225) 4.814 2.812 ( -3.755 -1.196 -1.051) 4.078 2.944 ( -5.830 -1.372 -0.895) 6.056 3.024 ( 3.589 0.257 -1.434) 3.873 3.068 ( -0.476 -0.469 -0.002) 0.668 3.184 ( 1.345 1.459 -0.257) 2.001 3.261 ( 1.335 -3.820 -1.240) 4.232 3.375 ( -5.138 4.525 2.995) 7.473 3.414 ( -0.363 0.529 0.861) 1.073 3.421 ( -4.861 1.058 -0.684) 5.022 3.523 ( 7.073 1.091 -4.548) 8.479 3.569 ( 2.479 0.999 -0.223) 2.682 3.729 ( -0.072 -5.385 1.959) 5.731 3.758 ( -4.916 3.859 0.102) 6.251 3.816 ( 0.263 -4.219 2.358) 4.841 3.955 ( 5.634 -1.107 -1.778) 6.010 4.129 ( 5.228 -0.498 -3.679) 6.412 4.155 ( 2.003 0.205 0.908) 2.208 4.337 ( 2.767 -2.829 1.154) 4.122 4.434 ( -1.967 -1.453 2.264) 3.333 4.566 ( 4.254 -1.231 0.571) 4.465 4.671 ( 3.202 -0.846 1.653) 3.701 4.898 ( 1.259 -1.856 -3.924) 4.520 5.014 ( -2.025 -0.380 -0.047) 2.061 5.106 ( 5.141 -1.267 1.149) 5.418 5.182 ( 1.510 -7.251 0.452) 7.420 5.296 ( 1.980 -4.078 -3.063) 5.471 5.371 ( -8.098 2.221 0.886) 8.444 5.566 ( 1.607 -0.593 -0.359) 1.750 5.610 ( -0.493 -4.974 1.323) 5.170 5.699 ( -1.505 -0.311 4.182) 4.455 5.859 ( -1.879 2.713 -1.836) 3.776 6.087 ( 3.121 -2.397 -0.257) 3.943 6.339 ( -1.259 -1.890 3.425) 4.110 6.416 ( 1.838 0.927 -7.254) 7.541 6.567 ( -7.532 5.724 2.500) 9.785 6.695 ( -4.313 7.320 4.426) 9.580 6.781 ( 3.481 5.533 -1.948) 6.821 6.955 ( -2.838 4.615 -2.292) 5.883 7.068 ( 2.903 5.384 -2.548) 6.626 7.165 ( 1.859 3.583 2.976) 5.014 7.542 ( 2.307 0.730 -0.977) 2.610 7.707 ( 0.839 1.169 3.440) 3.729 7.866 ( 8.698 2.181 -1.275) 9.057 8.000 ( 4.937 1.187 -6.862) 8.536 8.258 ( -6.334 10.298 -0.924) 12.125 8.428 ( -4.800 -3.976 5.961) 8.624 8.631 ( 1.000 3.832 -2.785) 4.841 8.738 ( -2.783 2.190 2.975) 4.625 8.846 ( -0.687 -0.415 0.424) 0.908 9.022 ( 4.354 -4.413 3.043) 6.906 9.500 ( -7.627 3.057 2.628) 8.627 9.639 ( -1.423 2.822 -7.215) 7.877 10.033 ( -2.936 0.716 0.353) 3.042 10.294 ( 1.406 -5.805 -0.101) 5.974 10.445 ( 2.616 -5.965 -1.046) 6.597 10.600 ( -1.319 2.758 0.760) 3.151 10.665 ( 2.023 -2.752 1.343) 3.670 10.800 ( 3.585 -1.054 -0.127) 3.739 11.139 ( -3.078 6.901 0.697) 7.588 11.220 ( -1.254 6.705 -1.850) 7.068 11.336 ( -11.978 8.611 4.151) 15.324 11.443 ( -6.072 5.298 -2.791) 8.528 11.686 ( 1.642 0.957 -1.046) 2.169 11.838 ( 3.597 2.320 0.958) 4.386 12.242 ( -4.469 4.254 0.053) 6.170 12.290 ( -3.551 8.315 -0.024) 9.041 12.758 ( -1.392 -4.724 -0.536) 4.954 12.828 ( -0.314 -6.370 0.864) 6.436 13.101 ( 2.405 7.401 -0.254) 7.786 13.237 ( 6.066 2.142 -0.173) 6.436 16.051 ( 3.087 -1.328 -1.781) 3.803 16.095 ( 4.040 1.781 1.797) 4.767 17.825 ( -3.942 -2.616 -0.159) 4.733 18.086 ( 6.001 -2.886 0.623) 6.688 18.300 ( -6.152 -0.860 -0.176) 6.214 18.592 ( 5.362 3.743 -2.467) 6.989 18.775 ( -8.838 3.466 3.327) 10.059 19.136 ( 2.348 7.019 -1.772) 7.611 19.380 ( -2.135 0.448 2.165) 3.074 19.463 ( -3.731 3.491 -1.030) 5.212 19.733 ( -0.168 12.931 -0.376) 12.938 19.867 ( 13.367 -3.572 -0.431) 13.842 21.195 ( -15.763 0.812 0.558) 15.794 21.628 ( 1.051 -3.839 1.345) 4.201 21.937 ( 2.344 -1.773 -2.615) 3.934 21.981 ( 2.547 4.267 -1.859) 5.306 22.156 ( -1.628 -2.417 5.439) 6.171 22.238 ( 0.536 3.690 -2.937) 4.746 22.955 ( -1.817 -4.142 2.016) 4.952 22.980 ( 1.246 -1.655 -1.771) 2.725 23.170 ( 3.442 -5.035 0.782) 6.149 23.255 ( 3.525 -6.312 -0.665) 7.260 ======================= Grid point 197 (87/102) ======================= q-point: (-0.09 -0.55 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -4.830 5.604 7.484) 10.524 1.564 ( -2.194 -5.757 -5.868) 8.508 1.689 ( 3.131 1.007 -9.642) 10.188 1.965 ( -6.652 -3.823 7.098) 10.452 2.059 ( 2.065 3.687 3.898) 5.749 2.177 ( -1.612 -3.811 -0.707) 4.198 2.315 ( 0.150 7.598 -0.066) 7.599 2.562 ( 2.202 -2.552 -3.083) 4.568 2.567 ( 0.558 0.042 1.382) 1.491 2.736 ( 5.510 -1.595 1.274) 5.876 2.821 ( -0.617 -2.938 -2.382) 3.832 2.972 ( -0.103 -3.578 -2.914) 4.615 2.989 ( -5.213 0.374 0.926) 5.308 3.107 ( 2.060 1.127 0.179) 2.354 3.139 ( -1.869 4.574 0.534) 4.970 3.193 ( -0.650 4.152 0.011) 4.203 3.289 ( -1.925 -0.058 3.475) 3.973 3.425 ( -3.551 -1.964 2.782) 4.920 3.469 ( 5.931 -1.731 -0.839) 6.235 3.556 ( 5.997 3.541 -8.149) 10.719 3.580 ( -4.995 -3.532 4.073) 7.349 3.656 ( -0.539 1.564 -1.225) 2.058 3.753 ( 0.053 0.861 1.831) 2.024 3.945 ( 0.295 -6.588 1.953) 6.878 4.011 ( 5.007 -0.705 -4.034) 6.468 4.113 ( -2.042 3.464 1.497) 4.291 4.172 ( 5.322 0.521 -4.474) 6.972 4.410 ( -5.840 -0.829 5.232) 7.884 4.486 ( 3.167 -7.742 -1.381) 8.478 4.638 ( 4.489 -2.318 3.181) 5.970 4.707 ( 4.074 0.141 -0.307) 4.088 4.926 ( 0.100 -1.579 -5.286) 5.518 5.003 ( -2.502 -0.346 0.146) 2.530 5.143 ( 1.012 1.455 3.215) 3.671 5.210 ( -5.792 4.615 -0.280) 7.411 5.310 ( -3.759 -3.734 -1.772) 5.587 5.405 ( 2.833 -7.680 0.872) 8.232 5.564 ( 2.944 1.791 -0.932) 3.570 5.673 ( -0.220 -0.916 3.596) 3.717 5.702 ( 0.277 1.095 1.969) 2.270 5.803 ( -2.994 0.649 -2.540) 3.979 6.144 ( 1.497 -1.468 0.392) 2.133 6.303 ( 4.124 4.679 -1.446) 6.402 6.390 ( -1.102 0.149 0.111) 1.118 6.473 ( -3.472 4.039 0.353) 5.338 6.540 ( -0.957 4.648 0.527) 4.775 6.733 ( 1.593 2.836 -1.345) 3.520 6.878 ( -1.695 1.236 -0.641) 2.194 7.040 ( 2.226 0.360 0.553) 2.322 7.126 ( 3.403 2.821 0.301) 4.431 7.579 ( 4.505 -1.709 -0.740) 4.875 7.715 ( -0.137 -0.928 2.332) 2.513 7.902 ( 8.109 0.693 -1.438) 8.265 7.956 ( -1.805 5.174 -5.428) 7.713 8.068 ( -3.649 4.046 2.444) 5.971 8.470 ( -4.800 -3.536 4.357) 7.384 8.550 ( -0.003 3.258 -4.851) 5.843 8.735 ( -2.005 -1.911 2.047) 3.444 8.870 ( -1.139 -1.970 0.548) 2.341 9.125 ( 1.450 -2.999 6.824) 7.594 9.391 ( -6.425 3.244 0.994) 7.266 9.562 ( -0.123 2.466 -8.353) 8.711 10.008 ( -1.755 0.254 0.071) 1.775 10.386 ( 0.631 -2.382 0.520) 2.518 10.543 ( 1.380 -0.275 0.887) 1.663 10.585 ( 4.331 -2.405 -2.347) 5.482 10.739 ( 2.872 -3.136 3.039) 5.226 10.853 ( 2.189 -1.996 -0.975) 3.119 11.021 ( -1.673 4.993 1.806) 5.567 11.098 ( -1.323 3.932 -2.067) 4.635 11.134 ( -9.239 4.527 0.691) 10.311 11.291 ( -4.964 5.831 -0.253) 7.663 11.681 ( 0.493 0.001 -1.194) 1.291 11.829 ( 1.917 0.961 1.255) 2.484 12.168 ( -2.288 2.508 0.079) 3.396 12.189 ( -1.245 1.455 -0.190) 1.924 12.810 ( -0.418 -1.729 -0.128) 1.783 12.933 ( -0.740 -5.169 0.510) 5.247 12.991 ( 0.597 5.403 -0.825) 5.498 13.257 ( 3.852 -0.197 0.403) 3.878 16.084 ( 2.286 1.117 0.286) 2.560 16.095 ( 1.661 -0.952 -0.328) 1.942 17.847 ( -2.208 -1.843 -0.203) 2.884 18.191 ( 4.641 -2.418 3.307) 6.191 18.302 ( -0.323 -3.762 -4.215) 5.659 18.533 ( -1.218 5.913 -1.579) 6.240 18.684 ( -4.358 0.732 4.062) 6.002 19.042 ( 0.994 3.084 -2.278) 3.961 19.284 ( -3.834 4.983 1.899) 6.568 19.427 ( -3.034 -0.569 -1.142) 3.291 19.583 ( 1.741 4.150 0.097) 4.502 20.059 ( 12.531 -4.713 0.008) 13.388 21.059 ( -12.463 2.393 0.161) 12.691 21.690 ( 1.583 -1.255 0.948) 2.232 21.921 ( 1.166 2.040 -0.266) 2.365 22.005 ( 2.183 -3.048 -1.909) 4.207 22.142 ( -1.727 3.822 1.366) 4.411 22.220 ( 0.712 -1.982 -0.743) 2.234 22.972 ( 0.230 1.074 -0.395) 1.167 23.024 ( -0.917 -2.637 1.333) 3.094 23.251 ( 1.479 -2.233 0.138) 2.682 23.355 ( 1.392 -2.974 -0.586) 3.335 ======================= Grid point 204 (88/102) ======================= q-point: (-0.45 -0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -2.044 -0.000 0.021) 2.044 1.494 ( 0.340 0.000 -5.213) 5.225 1.801 ( -14.684 -0.000 0.152) 14.685 1.829 ( -13.791 -0.000 9.756) 16.893 2.100 ( 6.836 0.000 3.183) 7.541 2.138 ( 1.202 0.000 -2.031) 2.360 2.290 ( 6.273 0.000 -1.019) 6.355 2.371 ( 2.729 0.000 -8.081) 8.530 2.411 ( -2.448 -0.000 2.408) 3.433 2.505 ( 8.984 0.000 -2.896) 9.439 2.749 ( -10.439 -0.000 -1.551) 10.554 2.920 ( -9.040 -0.000 1.920) 9.241 2.967 ( -4.576 -0.000 -0.242) 4.583 3.054 ( 12.085 0.000 -1.713) 12.206 3.078 ( 2.692 0.000 2.962) 4.002 3.162 ( -2.380 -0.000 -3.880) 4.552 3.242 ( -8.752 -0.000 11.443) 14.406 3.483 ( -2.816 -0.000 -3.843) 4.764 3.545 ( 8.394 0.000 -6.005) 10.320 3.629 ( 5.514 0.000 -3.830) 6.713 3.718 ( -1.291 -0.000 5.573) 5.721 3.797 ( 6.243 0.000 0.832) 6.298 3.874 ( -17.549 -0.000 0.224) 17.551 4.045 ( -0.690 -0.000 -5.204) 5.250 4.101 ( -3.235 -0.000 4.137) 5.252 4.139 ( 2.265 0.000 4.394) 4.944 4.272 ( -6.374 -0.000 3.085) 7.081 4.335 ( 6.531 0.000 1.968) 6.821 4.503 ( 0.459 0.000 -7.081) 7.096 4.527 ( -1.957 -0.000 1.062) 2.226 4.611 ( 12.008 0.000 0.705) 12.028 4.693 ( 10.514 0.000 -5.947) 12.080 4.822 ( -1.968 -0.000 1.881) 2.723 4.883 ( 4.651 0.000 -3.167) 5.627 5.011 ( -0.341 -0.000 3.236) 3.254 5.051 ( 0.276 0.000 -1.707) 1.729 5.116 ( -2.939 -0.000 6.633) 7.254 5.386 ( 6.546 0.000 -7.802) 10.184 5.391 ( -2.463 -0.000 10.827) 11.104 5.556 ( -2.157 -0.000 -7.023) 7.347 5.909 ( 0.889 0.000 1.886) 2.085 5.978 ( 2.123 0.000 -0.926) 2.316 6.131 ( -4.936 -0.000 2.401) 5.489 6.270 ( 1.830 0.000 -2.130) 2.809 6.833 ( -5.521 -0.000 -3.499) 6.537 6.874 ( 3.605 0.000 1.487) 3.899 7.033 ( -4.123 -0.000 2.180) 4.663 7.082 ( -1.796 -0.000 0.589) 1.891 7.410 ( 0.203 0.000 -2.977) 2.984 7.463 ( 4.089 0.000 -3.382) 5.306 7.791 ( 6.519 0.000 9.521) 11.539 7.867 ( -4.657 -0.000 -8.470) 9.666 7.960 ( -2.797 -0.000 4.478) 5.279 8.031 ( 1.075 0.000 -0.383) 1.142 8.340 ( -4.168 -0.000 2.549) 4.886 8.480 ( 5.063 0.000 -3.228) 6.005 8.591 ( 1.678 0.000 2.923) 3.370 8.673 ( 1.335 0.000 -3.757) 3.987 9.404 ( 0.577 0.000 -0.435) 0.722 9.427 ( 4.202 0.000 3.829) 5.685 9.539 ( -0.277 -0.000 6.873) 6.878 9.678 ( -2.686 -0.000 -8.527) 8.940 10.086 ( -0.991 -0.000 -1.832) 2.083 10.104 ( 2.967 0.000 -1.357) 3.263 10.256 ( -8.432 -0.000 7.019) 10.971 10.493 ( 5.534 0.000 -7.657) 9.448 10.844 ( -2.634 -0.000 5.413) 6.020 10.914 ( -0.618 -0.000 -1.041) 1.210 11.395 ( -7.431 -0.000 -0.472) 7.446 11.411 ( -5.527 -0.000 -1.643) 5.766 11.497 ( 4.337 0.000 2.606) 5.060 11.520 ( 2.234 0.000 -1.040) 2.464 11.765 ( 0.909 0.000 1.319) 1.602 11.773 ( -0.743 -0.000 -1.535) 1.705 12.483 ( 1.316 0.000 1.246) 1.812 12.510 ( 1.026 0.000 -1.297) 1.654 13.209 ( -6.189 -0.000 1.667) 6.409 13.307 ( -2.187 -0.000 -1.865) 2.874 13.356 ( 4.728 0.000 1.451) 4.946 13.389 ( 1.357 0.000 -1.386) 1.940 15.951 ( 5.591 0.000 3.721) 6.716 15.984 ( 2.676 0.000 -3.214) 4.182 18.048 ( -2.607 -0.000 0.503) 2.655 18.055 ( -3.186 -0.000 -0.518) 3.228 18.572 ( -6.221 -0.000 0.352) 6.231 18.620 ( -0.079 -0.000 -0.168) 0.186 18.741 ( 2.975 0.000 0.024) 2.975 18.764 ( 6.304 0.000 -0.102) 6.305 19.819 ( 1.958 0.000 0.921) 2.164 19.824 ( 0.507 0.000 -1.044) 1.161 20.313 ( -1.354 -0.000 13.671) 13.738 20.616 ( -1.140 -0.000 -18.815) 18.849 21.218 ( -5.718 -0.000 8.269) 10.053 21.493 ( 5.739 0.000 -13.594) 14.756 22.001 ( -2.512 -0.000 18.414) 18.584 22.139 ( -3.791 -0.000 7.742) 8.621 22.236 ( -5.790 -0.000 -10.688) 12.155 22.320 ( 4.196 0.000 -4.586) 6.216 22.502 ( 0.524 0.000 0.878) 1.023 22.522 ( 2.199 0.000 -2.389) 3.247 22.699 ( 1.397 0.000 1.849) 2.318 22.729 ( 2.215 0.000 -0.614) 2.298 ======================= Grid point 205 (89/102) ======================= q-point: (-0.36 -0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -9.082 2.372 3.478) 10.010 1.522 ( -11.486 2.262 1.838) 11.850 1.698 ( -1.362 -6.107 -4.887) 7.940 1.755 ( -17.359 -0.981 0.133) 17.387 2.150 ( 0.450 -1.666 -4.114) 4.461 2.174 ( 7.805 1.466 1.559) 8.093 2.241 ( -1.030 2.228 1.830) 3.062 2.430 ( -2.392 -3.285 3.022) 5.064 2.483 ( 1.812 -5.488 -0.072) 5.780 2.587 ( 9.246 -2.369 -5.867) 11.203 2.700 ( -4.475 -1.143 -1.730) 4.933 2.875 ( -11.790 -3.493 2.310) 12.511 2.918 ( -7.518 0.322 0.383) 7.535 3.057 ( -3.225 -0.822 5.125) 6.111 3.128 ( -2.456 -0.281 -1.455) 2.869 3.160 ( 4.825 -0.272 -1.904) 5.194 3.267 ( 3.095 -3.702 6.116) 7.790 3.455 ( -1.172 0.447 -5.796) 5.930 3.534 ( 2.186 5.874 -1.611) 6.471 3.626 ( 3.822 2.910 -3.626) 6.018 3.662 ( -3.818 2.218 1.740) 4.746 3.772 ( -5.528 -0.050 2.340) 6.003 3.878 ( 6.850 0.772 1.124) 6.984 3.937 ( -8.679 3.804 -2.974) 9.932 4.069 ( -1.093 3.940 3.683) 5.503 4.171 ( 2.794 3.904 -0.844) 4.875 4.210 ( -3.491 -2.680 3.603) 5.687 4.365 ( 5.467 3.598 -1.800) 6.788 4.510 ( 4.259 -2.300 -2.088) 5.271 4.533 ( 1.666 1.300 -1.618) 2.662 4.608 ( 0.655 5.159 2.096) 5.607 4.799 ( 11.580 -2.721 -2.878) 12.238 4.846 ( 6.818 -1.804 4.271) 8.245 4.934 ( 4.082 -1.364 -3.916) 5.819 5.041 ( 2.518 0.491 0.132) 2.569 5.128 ( 3.404 -9.626 1.565) 10.329 5.168 ( -1.115 -4.094 0.606) 4.286 5.301 ( 2.473 3.641 4.231) 6.105 5.459 ( -8.131 -2.582 -0.160) 8.532 5.605 ( 5.423 -5.031 -3.991) 8.406 5.897 ( -1.032 1.280 0.953) 1.900 6.003 ( 2.653 -1.276 -0.203) 2.951 6.142 ( -3.129 -3.684 0.471) 4.857 6.293 ( -1.122 -2.341 -0.924) 2.756 6.774 ( -5.798 0.908 -3.792) 6.988 6.874 ( 0.294 2.213 2.937) 3.689 7.007 ( -4.243 -0.146 0.684) 4.301 7.067 ( -3.830 -0.343 2.190) 4.425 7.385 ( 2.142 3.097 -4.115) 5.578 7.472 ( 4.369 2.051 -3.165) 5.772 7.803 ( -3.823 3.708 -5.343) 7.544 7.844 ( 6.157 1.652 9.103) 11.113 7.895 ( -3.442 2.258 1.077) 4.255 8.069 ( 4.839 -1.136 -1.367) 5.155 8.329 ( -2.493 -0.420 2.369) 3.464 8.418 ( 1.491 5.691 0.694) 5.924 8.669 ( 0.252 -0.043 -2.255) 2.269 8.679 ( 4.372 -3.733 -0.340) 5.759 9.332 ( 1.882 8.774 0.483) 8.987 9.427 ( 6.982 9.978 -0.856) 12.208 9.503 ( -5.634 -1.410 10.074) 11.629 9.661 ( -0.589 -1.507 -10.078) 10.207 10.068 ( -0.957 0.336 -1.170) 1.548 10.152 ( 3.603 -2.288 -2.626) 5.011 10.208 ( -10.259 -0.762 7.194) 12.553 10.524 ( 4.346 -1.089 -6.229) 7.673 10.800 ( -3.449 3.334 4.784) 6.775 10.890 ( -0.081 2.096 -0.268) 2.115 11.308 ( -9.196 -0.128 -0.484) 9.210 11.434 ( -6.421 -4.975 -1.484) 8.257 11.500 ( 1.840 1.873 0.508) 2.674 11.573 ( 0.800 -2.185 1.414) 2.723 11.729 ( -0.866 2.282 -0.984) 2.631 11.802 ( 2.202 -1.670 0.395) 2.792 12.517 ( 1.401 -2.123 0.362) 2.569 12.546 ( 2.012 -3.031 -0.577) 3.683 13.032 ( -9.755 12.926 0.594) 16.205 13.190 ( -5.275 14.355 0.570) 15.304 13.312 ( 4.604 1.331 -0.976) 4.891 13.409 ( 5.164 2.883 -0.220) 5.918 15.984 ( 5.627 0.812 0.749) 5.735 16.054 ( 9.212 -2.075 -0.267) 9.446 17.946 ( -7.241 5.442 -0.092) 9.058 18.032 ( -1.849 0.527 0.056) 1.924 18.431 ( -12.513 3.744 0.460) 13.069 18.780 ( 8.239 -1.458 0.110) 8.367 18.790 ( 0.760 -2.440 -0.955) 2.728 18.846 ( 8.388 -11.259 0.552) 14.051 19.708 ( 2.820 11.336 2.671) 11.983 19.744 ( 2.052 10.231 -2.806) 10.806 20.278 ( -3.199 6.137 13.745) 15.388 20.503 ( -2.868 7.460 -17.047) 18.828 21.216 ( -8.929 -3.366 5.616) 11.072 21.491 ( 2.098 0.498 -11.063) 11.271 21.898 ( -8.248 5.547 10.119) 14.185 22.088 ( -2.954 1.745 2.358) 4.163 22.222 ( 1.912 1.581 -1.650) 2.980 22.417 ( 5.824 2.021 -5.286) 8.121 22.537 ( -0.561 -14.579 3.811) 15.079 22.641 ( -0.030 -7.475 0.043) 7.475 22.750 ( 3.572 -3.514 -0.538) 5.039 22.807 ( 4.312 -5.819 -0.143) 7.244 ======================= Grid point 206 (90/102) ======================= q-point: (-0.27 -0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -11.756 -1.564 5.754) 13.181 1.391 ( -12.895 -1.158 1.722) 13.061 1.644 ( -15.892 -1.710 -1.580) 16.062 1.861 ( 1.246 -10.254 -7.056) 12.510 2.132 ( 3.788 6.251 -1.548) 7.471 2.163 ( -3.352 -1.591 -5.705) 6.805 2.260 ( -1.329 -3.386 3.749) 5.224 2.492 ( -3.559 -3.765 4.836) 7.087 2.513 ( -1.366 0.380 1.255) 1.894 2.664 ( -1.097 -2.857 -0.322) 3.077 2.717 ( -0.670 -1.741 1.219) 2.229 2.864 ( -8.542 -4.464 1.456) 9.748 2.939 ( 0.231 -5.646 -2.899) 6.351 3.058 ( -3.686 -0.101 0.713) 3.755 3.119 ( -3.257 -2.106 0.531) 3.915 3.191 ( 1.085 -1.913 1.384) 2.599 3.382 ( -2.119 1.958 -3.448) 4.496 3.400 ( 2.784 -0.074 0.631) 2.855 3.447 ( -1.869 -1.207 0.310) 2.246 3.578 ( 6.080 4.206 -4.023) 8.416 3.634 ( -1.677 1.394 3.072) 3.767 3.748 ( 0.552 1.659 -0.773) 1.912 3.793 ( 0.076 4.996 -1.890) 5.342 3.877 ( -4.716 3.367 2.113) 6.168 4.010 ( -1.385 -0.204 1.736) 2.230 4.100 ( 6.464 6.509 -0.591) 9.192 4.253 ( -0.303 0.389 -0.021) 0.494 4.341 ( 6.118 1.233 -0.952) 6.314 4.479 ( 5.832 4.715 -1.657) 7.680 4.559 ( -1.268 1.114 3.333) 3.736 4.606 ( 5.493 -3.406 0.405) 6.476 4.874 ( 4.862 0.273 -2.194) 5.341 4.959 ( 7.168 -2.334 1.939) 7.784 4.995 ( 3.550 -2.788 -2.008) 4.940 5.080 ( 4.658 -1.804 1.044) 5.103 5.181 ( 3.841 0.796 -3.347) 5.157 5.325 ( 0.454 -7.833 5.221) 9.425 5.361 ( 0.694 -5.704 0.021) 5.746 5.447 ( -4.594 -3.816 0.121) 5.973 5.685 ( -0.320 -1.327 -0.768) 1.566 5.898 ( 1.092 -1.437 0.195) 1.815 6.038 ( 3.320 -0.119 -1.009) 3.472 6.200 ( -5.143 -5.887 -0.052) 7.817 6.320 ( -1.681 -1.910 -0.332) 2.566 6.703 ( -5.672 1.549 -3.627) 6.909 6.828 ( -1.436 2.684 3.706) 4.796 6.976 ( -4.708 -0.189 -1.578) 4.969 7.036 ( -5.479 1.600 4.933) 7.544 7.320 ( 3.288 5.383 -3.646) 7.286 7.412 ( 3.674 8.269 -2.835) 9.482 7.666 ( -2.684 5.774 -1.177) 6.475 7.831 ( 2.692 4.574 5.360) 7.543 7.901 ( 1.427 -1.904 -1.589) 2.861 8.092 ( 8.354 4.039 -4.270) 10.215 8.306 ( -1.446 0.103 3.093) 3.416 8.398 ( -2.311 -1.939 1.068) 3.200 8.641 ( -2.307 0.877 -0.075) 2.469 8.786 ( 5.361 -3.776 0.364) 6.568 9.146 ( 1.749 13.371 1.652) 13.586 9.216 ( 3.461 15.086 -1.078) 15.516 9.522 ( -7.328 -1.701 8.121) 11.070 9.665 ( 0.816 -1.080 -11.554) 11.633 10.066 ( 0.186 -0.124 0.077) 0.237 10.138 ( -6.815 -0.548 2.175) 7.175 10.251 ( 1.331 -5.008 0.730) 5.233 10.568 ( 2.860 -2.010 -3.536) 4.973 10.717 ( -3.671 3.574 2.426) 5.669 10.844 ( 1.013 2.999 1.292) 3.419 11.267 ( -7.668 -1.529 -0.481) 7.833 11.434 ( -2.531 4.843 0.755) 5.517 11.449 ( -6.570 -1.087 -2.440) 7.092 11.584 ( -3.801 0.776 2.489) 4.610 11.707 ( 2.677 0.245 -1.232) 2.957 11.854 ( 2.866 -1.662 0.409) 3.338 12.571 ( -0.908 -1.804 -1.211) 2.355 12.628 ( 0.735 -4.193 0.515) 4.288 12.672 ( -8.993 15.788 1.128) 18.205 12.827 ( -7.878 19.282 0.044) 20.829 13.323 ( 6.114 2.070 0.126) 6.456 13.363 ( 5.126 6.151 -0.774) 8.044 16.020 ( 5.732 -0.045 -0.419) 5.747 16.147 ( 9.994 0.370 0.669) 10.024 17.806 ( -7.877 2.844 -0.070) 8.375 18.027 ( 0.233 -0.870 0.061) 0.903 18.292 ( -13.843 0.834 0.382) 13.873 18.765 ( 5.183 4.445 -1.382) 6.967 18.841 ( 0.994 -0.138 1.418) 1.737 19.180 ( 12.960 -12.469 -0.619) 17.994 19.536 ( 4.117 9.383 0.824) 10.279 19.557 ( 2.500 10.983 0.489) 11.275 20.094 ( -6.613 12.658 8.093) 16.416 20.248 ( -4.220 13.616 -11.061) 18.043 21.188 ( -13.886 -1.222 1.844) 14.061 21.484 ( -2.389 -2.544 -1.870) 3.959 21.842 ( -4.015 -2.418 0.653) 4.732 22.066 ( -2.470 -1.041 3.130) 4.121 22.177 ( 3.013 5.099 -1.111) 6.026 22.379 ( 2.456 3.467 -1.937) 4.670 22.750 ( -1.795 -6.585 1.892) 7.083 22.832 ( 3.757 -9.372 -2.304) 10.356 22.888 ( 7.711 -9.751 1.701) 12.548 22.971 ( 5.190 -8.328 -0.231) 9.816 ======================= Grid point 207 (91/102) ======================= q-point: (-0.18 -0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -8.766 -6.134 -3.790) 11.351 1.411 ( -11.302 -9.146 4.971) 15.365 1.606 ( -8.305 -5.345 -3.348) 10.429 1.975 ( -8.636 2.817 5.829) 10.793 2.031 ( 1.592 -2.234 -3.152) 4.179 2.151 ( -8.269 -2.793 -3.304) 9.333 2.358 ( 3.358 -5.007 0.946) 6.103 2.436 ( -2.165 2.440 1.283) 3.505 2.581 ( 1.544 -4.000 -0.134) 4.290 2.695 ( -3.211 1.137 0.573) 3.455 2.714 ( -3.858 -3.260 3.016) 5.883 2.903 ( -3.631 -2.430 0.126) 4.371 3.009 ( -8.807 -3.456 -1.934) 9.656 3.050 ( 6.067 -1.240 -2.953) 6.861 3.161 ( 0.611 -3.151 2.000) 3.782 3.227 ( 2.407 -0.475 -1.309) 2.781 3.313 ( -7.768 -1.635 -1.078) 8.012 3.366 ( -3.642 -0.268 2.793) 4.597 3.492 ( 0.115 6.465 -2.121) 6.805 3.584 ( 6.476 -4.092 -1.013) 7.727 3.636 ( 5.331 -0.439 0.889) 5.422 3.692 ( 1.005 4.795 -1.873) 5.245 3.760 ( -0.811 -0.584 -0.233) 1.027 3.776 ( -3.365 2.534 1.024) 4.335 4.041 ( 2.500 0.973 0.550) 2.738 4.079 ( 4.355 -2.486 1.948) 5.380 4.197 ( 1.983 4.256 0.378) 4.711 4.390 ( 2.803 -1.200 -1.470) 3.385 4.443 ( 4.855 5.224 2.773) 7.652 4.570 ( 4.472 -1.191 -0.436) 4.648 4.699 ( 6.483 -1.834 -0.544) 6.760 4.885 ( 1.568 -0.096 -3.278) 3.635 5.003 ( -1.348 -0.082 2.732) 3.048 5.074 ( 6.519 -3.887 -3.902) 8.534 5.145 ( 3.538 -1.430 3.601) 5.247 5.239 ( 4.112 -2.733 -4.578) 6.734 5.346 ( -6.081 -0.272 2.269) 6.497 5.491 ( -1.232 -6.806 3.147) 7.599 5.549 ( 5.187 -4.613 0.096) 6.942 5.674 ( -3.644 -0.451 0.707) 3.739 5.909 ( 1.258 2.279 -0.641) 2.681 6.069 ( 2.425 -1.587 -0.447) 2.933 6.264 ( -5.237 -5.283 1.112) 7.522 6.341 ( -3.068 -2.978 -2.226) 4.821 6.606 ( -7.634 4.015 -1.157) 8.703 6.790 ( 0.387 2.062 2.253) 3.079 6.912 ( -5.493 8.892 3.739) 11.100 6.939 ( -5.114 -0.061 -2.070) 5.518 7.238 ( 3.149 5.674 -1.973) 6.782 7.249 ( -0.659 9.036 -1.633) 9.206 7.595 ( 3.650 2.572 -1.653) 4.761 7.778 ( 1.736 3.956 4.832) 6.482 7.937 ( 3.297 -0.515 -2.402) 4.111 8.058 ( 6.925 4.166 -4.721) 9.359 8.331 ( -3.056 -2.759 3.848) 5.635 8.348 ( -7.564 5.174 -3.047) 9.658 8.639 ( -0.470 -1.796 3.480) 3.944 8.864 ( 4.085 0.935 0.587) 4.231 8.920 ( 0.902 13.025 2.341) 13.264 9.044 ( 6.184 4.515 -0.457) 7.670 9.477 ( -10.476 0.728 6.411) 12.304 9.645 ( -0.333 1.223 -10.948) 11.021 10.034 ( -3.368 1.457 1.236) 3.872 10.179 ( -1.389 -6.014 0.830) 6.228 10.364 ( 3.596 -5.664 -0.741) 6.750 10.623 ( 0.198 -1.179 0.395) 1.260 10.641 ( -0.353 0.886 -0.560) 1.106 10.824 ( 2.188 0.969 1.979) 3.105 11.209 ( -5.485 3.262 -1.288) 6.510 11.300 ( -4.566 5.708 0.456) 7.323 11.385 ( -8.137 3.109 0.766) 8.744 11.487 ( -5.797 5.988 0.040) 8.334 11.724 ( 3.059 1.009 -0.889) 3.341 11.890 ( 2.607 0.344 0.530) 2.682 12.312 ( -9.071 9.929 -0.038) 13.449 12.451 ( -8.678 14.491 0.043) 16.890 12.666 ( 0.408 -4.457 -0.085) 4.476 12.727 ( 0.478 -4.996 0.314) 5.029 13.268 ( 4.669 8.114 -0.270) 9.365 13.329 ( 6.470 2.776 -0.096) 7.041 16.061 ( 4.705 -0.286 -1.379) 4.911 16.176 ( 5.711 2.991 1.441) 6.606 17.755 ( -3.892 -1.948 -0.172) 4.356 18.070 ( 2.424 -2.948 0.116) 3.818 18.214 ( -10.209 -2.143 0.165) 10.433 18.713 ( 5.071 5.030 -1.121) 7.230 18.798 ( -2.509 4.731 1.369) 5.528 19.279 ( 2.117 6.767 -1.232) 7.197 19.430 ( 3.075 5.544 2.709) 6.894 19.510 ( 0.992 2.510 0.728) 2.795 19.908 ( 4.685 1.507 -4.869) 6.924 19.962 ( -3.010 13.429 1.303) 13.824 21.082 ( -16.564 -0.035 0.767) 16.582 21.539 ( -3.024 -5.392 1.133) 6.285 21.886 ( 0.074 -3.855 -2.889) 4.818 22.079 ( -3.677 1.109 2.147) 4.400 22.115 ( 4.250 1.501 0.855) 4.588 22.319 ( 1.672 4.625 -1.803) 5.239 22.852 ( -2.473 -5.913 4.461) 7.809 22.943 ( 2.978 -3.580 -4.883) 6.748 23.113 ( 7.242 -6.453 0.919) 9.743 23.163 ( 6.306 -8.124 0.168) 10.286 ======================= Grid point 208 (92/102) ======================= q-point: (-0.09 -0.45 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -4.871 -10.700 -6.805) 13.585 1.509 ( -6.346 -6.941 1.583) 9.537 1.695 ( 0.553 -5.787 -3.992) 7.052 1.816 ( -13.753 1.886 9.738) 16.957 2.100 ( 0.053 -1.895 2.598) 3.217 2.119 ( -4.917 -0.813 -2.221) 5.457 2.353 ( -5.132 0.502 0.152) 5.158 2.539 ( 5.229 -5.963 -2.228) 8.238 2.602 ( 2.862 4.206 1.122) 5.209 2.694 ( -5.082 -7.653 0.207) 9.189 2.760 ( -0.117 -3.216 -0.736) 3.301 2.871 ( -2.021 2.427 0.750) 3.246 2.992 ( -3.876 -0.523 -2.382) 4.579 3.117 ( 3.927 -2.197 1.065) 4.624 3.187 ( -1.796 1.400 -0.970) 2.475 3.271 ( 1.027 -1.598 0.373) 1.936 3.315 ( -4.303 -0.221 1.246) 4.485 3.338 ( -2.744 3.129 -0.728) 4.225 3.404 ( -0.508 -3.653 -0.697) 3.753 3.563 ( 0.252 3.818 1.462) 4.096 3.665 ( 5.157 2.673 -3.981) 7.042 3.691 ( -1.462 2.204 0.956) 2.812 3.752 ( 3.646 -3.303 0.598) 4.955 3.832 ( 0.587 -5.374 1.521) 5.615 4.046 ( 4.788 1.390 0.195) 4.990 4.126 ( -2.692 0.144 -0.758) 2.800 4.207 ( 3.780 -1.727 0.001) 4.156 4.394 ( 3.721 2.146 3.425) 5.494 4.422 ( 1.483 -1.209 -1.124) 2.219 4.639 ( 5.517 -1.856 0.266) 5.827 4.749 ( 3.999 0.276 -1.787) 4.389 4.896 ( 1.139 -0.765 -2.998) 3.297 5.003 ( 0.417 0.242 2.293) 2.343 5.168 ( -3.694 -1.543 -2.705) 4.832 5.189 ( 3.184 -0.625 1.512) 3.580 5.290 ( 1.439 -5.105 -1.789) 5.598 5.307 ( 0.201 2.128 1.931) 2.881 5.580 ( 0.131 -2.878 1.035) 3.062 5.630 ( 0.779 -1.973 1.465) 2.578 5.695 ( 0.171 -2.949 1.842) 3.482 5.845 ( 0.702 4.678 -1.078) 4.852 6.122 ( 1.750 -2.298 0.184) 2.895 6.302 ( -5.093 -2.257 1.515) 5.773 6.375 ( -5.329 -5.221 -4.231) 8.577 6.445 ( -8.637 5.628 0.659) 10.330 6.665 ( -3.122 10.181 3.932) 11.352 6.817 ( 2.633 1.377 -3.045) 4.255 6.889 ( -4.084 1.840 -1.761) 4.813 7.088 ( -0.627 6.207 -0.266) 6.244 7.184 ( -0.531 2.420 0.988) 2.667 7.610 ( 6.925 0.109 -2.061) 7.226 7.742 ( 0.731 2.405 4.278) 4.962 7.949 ( 0.339 0.951 -0.964) 1.396 8.018 ( 0.949 4.042 -4.428) 6.070 8.146 ( -4.022 7.567 -3.495) 9.255 8.350 ( -7.583 -2.511 4.919) 9.381 8.682 ( 5.904 1.498 -1.181) 6.204 8.744 ( 2.236 6.525 3.447) 7.711 8.856 ( 1.896 0.662 0.012) 2.008 9.107 ( 5.211 -2.614 3.860) 6.992 9.391 ( -8.605 1.821 4.657) 9.952 9.577 ( -1.234 2.557 -10.142) 10.532 10.003 ( -1.415 0.123 0.446) 1.488 10.290 ( -1.447 -6.861 0.022) 7.012 10.493 ( 2.601 -5.577 -1.149) 6.260 10.580 ( -0.646 0.609 -0.037) 0.889 10.727 ( 4.816 -3.725 1.391) 6.245 10.838 ( 1.328 -0.185 1.525) 2.030 11.091 ( -2.463 4.592 -1.990) 5.578 11.162 ( -10.018 6.024 1.789) 11.825 11.217 ( -2.019 8.928 1.969) 9.363 11.342 ( -5.817 4.867 -2.430) 7.965 11.709 ( 1.912 2.124 -0.710) 2.945 11.878 ( 1.265 2.558 0.831) 2.972 12.178 ( -4.060 1.537 0.439) 4.363 12.221 ( -5.351 5.301 -0.489) 7.548 12.745 ( -0.334 -4.340 -0.032) 4.353 12.816 ( -1.426 -5.304 0.015) 5.493 13.150 ( 4.089 8.582 -0.379) 9.514 13.320 ( 4.939 3.021 0.360) 5.800 16.091 ( 2.833 -0.377 -1.704) 3.327 16.144 ( 1.134 3.345 1.674) 3.909 17.794 ( 0.085 -3.200 -0.319) 3.217 18.166 ( 4.245 -4.840 1.312) 6.570 18.217 ( -4.183 -4.046 -1.227) 5.947 18.644 ( -2.593 8.883 -0.354) 9.260 18.681 ( -0.036 1.575 0.793) 1.763 19.139 ( -1.473 7.274 0.620) 7.448 19.350 ( -4.017 5.604 0.335) 6.903 19.428 ( 1.257 2.231 -0.800) 2.682 19.716 ( -1.707 10.144 -0.681) 10.309 20.069 ( 12.761 -4.894 -0.162) 13.668 20.976 ( -13.123 -0.922 0.413) 13.162 21.618 ( -3.058 -5.477 1.222) 6.391 21.956 ( 1.801 -3.780 -2.529) 4.892 22.004 ( 1.074 4.786 -0.719) 4.957 22.159 ( -1.210 -2.164 5.408) 5.950 22.238 ( 1.462 4.681 -4.019) 6.341 22.935 ( -2.594 -4.331 4.121) 6.517 22.994 ( 2.175 -1.221 -3.535) 4.326 23.234 ( 4.545 -2.618 0.362) 5.258 23.314 ( 4.789 -4.023 -0.336) 6.264 ======================= Grid point 216 (93/102) ======================= q-point: (-0.36 -0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -16.706 -0.000 4.111) 17.204 1.443 ( -3.976 -0.000 -7.530) 8.515 1.581 ( -22.722 -0.000 8.187) 24.152 1.601 ( -11.393 -0.000 -6.144) 12.944 2.138 ( -0.260 -0.000 -2.571) 2.584 2.170 ( -6.301 -0.000 7.226) 9.587 2.324 ( -2.661 -0.000 5.167) 5.812 2.413 ( 5.501 0.000 -1.646) 5.742 2.414 ( 4.149 0.000 -2.479) 4.834 2.607 ( 5.819 0.000 -6.121) 8.446 2.689 ( 4.369 0.000 -8.999) 10.003 2.716 ( -19.360 -0.000 2.188) 19.483 2.890 ( -3.540 -0.000 0.754) 3.619 3.003 ( -9.177 -0.000 8.665) 12.622 3.084 ( -6.236 -0.000 -1.562) 6.428 3.192 ( 1.691 0.000 4.624) 4.923 3.297 ( 8.260 0.000 0.798) 8.298 3.427 ( -2.869 -0.000 -5.535) 6.234 3.597 ( -4.627 -0.000 2.604) 5.309 3.648 ( 6.214 0.000 -7.911) 10.060 3.656 ( -4.797 -0.000 0.160) 4.800 3.768 ( 2.165 0.000 4.938) 5.392 3.861 ( -5.117 -0.000 -3.998) 6.494 4.014 ( 7.539 0.000 2.404) 7.913 4.098 ( -2.603 -0.000 0.190) 2.609 4.167 ( -0.918 -0.000 4.329) 4.426 4.220 ( 0.651 0.000 1.811) 1.925 4.429 ( 5.266 0.000 -0.321) 5.275 4.522 ( 0.923 0.000 3.489) 3.609 4.526 ( 6.919 0.000 -8.428) 10.904 4.773 ( 8.417 0.000 -0.924) 8.467 4.779 ( -3.233 -0.000 3.740) 4.944 4.883 ( 14.016 0.000 -3.381) 14.418 5.005 ( 12.284 0.000 -5.154) 13.321 5.044 ( 2.442 0.000 2.825) 3.734 5.060 ( 2.593 0.000 1.567) 3.030 5.116 ( 0.412 0.000 1.453) 1.510 5.367 ( -5.300 -0.000 -0.399) 5.315 5.414 ( -0.505 -0.000 11.810) 11.821 5.569 ( 8.225 0.000 -11.184) 13.883 5.934 ( -8.082 -0.000 2.385) 8.426 5.942 ( 2.888 0.000 -0.478) 2.928 6.134 ( 5.135 0.000 -2.316) 5.633 6.246 ( -4.246 -0.000 1.471) 4.494 6.729 ( -6.006 -0.000 -4.056) 7.247 6.888 ( -4.763 -0.000 5.455) 7.242 6.984 ( -1.969 -0.000 -1.023) 2.219 7.025 ( -6.629 -0.000 1.676) 6.838 7.430 ( 5.254 0.000 -7.689) 9.312 7.498 ( 2.173 0.000 -2.936) 3.653 7.791 ( -1.376 -0.000 -6.432) 6.578 7.856 ( -5.736 -0.000 6.090) 8.367 8.005 ( 7.357 0.000 9.679) 12.158 8.038 ( 0.814 0.000 -1.958) 2.121 8.311 ( -1.361 -0.000 3.642) 3.888 8.544 ( 5.131 0.000 -1.549) 5.360 8.641 ( 3.853 0.000 -0.314) 3.865 8.677 ( 1.004 0.000 -2.299) 2.509 9.429 ( 0.589 0.000 -0.393) 0.708 9.453 ( -7.356 -0.000 10.872) 13.126 9.603 ( 9.166 0.000 -0.637) 9.188 9.609 ( 1.181 0.000 -12.166) 12.223 10.070 ( 0.264 0.000 -1.826) 1.845 10.121 ( -3.295 -0.000 2.964) 4.432 10.166 ( -3.556 -0.000 2.609) 4.410 10.530 ( 3.869 0.000 -6.614) 7.663 10.830 ( -2.467 -0.000 5.947) 6.438 10.889 ( -2.282 -0.000 -0.326) 2.305 11.277 ( -9.493 -0.000 -4.002) 10.302 11.284 ( -7.643 -0.000 3.819) 8.544 11.503 ( -3.584 -0.000 -1.738) 3.983 11.587 ( 4.313 0.000 2.378) 4.925 11.752 ( -0.298 -0.000 -2.661) 2.678 11.790 ( 1.553 0.000 1.656) 2.270 12.520 ( 2.848 0.000 0.457) 2.885 12.527 ( 1.711 0.000 -0.795) 1.887 13.085 ( -11.114 -0.000 1.317) 11.191 13.245 ( -5.232 -0.000 -1.345) 5.402 13.424 ( 3.517 0.000 -0.058) 3.517 13.438 ( 5.426 0.000 -0.054) 5.426 16.054 ( 8.335 0.000 -4.990) 9.714 16.113 ( 13.777 0.000 5.875) 14.977 17.964 ( -8.674 -0.000 -0.354) 8.681 17.984 ( -5.845 -0.000 0.400) 5.859 18.474 ( -7.419 -0.000 1.658) 7.602 18.593 ( -2.402 -0.000 -2.022) 3.140 18.830 ( 7.805 0.000 1.337) 7.919 18.884 ( 9.903 0.000 -0.874) 9.941 19.854 ( 3.934 0.000 -0.321) 3.947 19.863 ( 2.997 0.000 0.863) 3.119 20.326 ( -5.010 -0.000 13.101) 14.026 20.506 ( -3.297 -0.000 -16.688) 17.011 21.121 ( -11.759 -0.000 5.922) 13.166 21.479 ( 1.642 0.000 -17.871) 17.946 22.024 ( -4.733 -0.000 15.166) 15.888 22.112 ( -5.424 -0.000 -7.332) 9.120 22.136 ( -1.865 -0.000 12.460) 12.598 22.367 ( 4.413 0.000 -2.490) 5.067 22.514 ( 0.670 0.000 1.819) 1.938 22.534 ( 2.119 0.000 -6.144) 6.500 22.760 ( 5.541 0.000 1.127) 5.655 22.778 ( 4.363 0.000 -0.329) 4.375 ======================= Grid point 217 (94/102) ======================= q-point: (-0.27 -0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -16.482 0.605 6.036) 17.563 1.323 ( -14.016 3.772 -2.644) 14.753 1.453 ( -22.518 -2.340 4.264) 23.037 1.636 ( -5.196 -11.430 -9.188) 15.558 2.081 ( -9.834 0.157 -1.298) 9.920 2.167 ( -9.024 -3.968 3.389) 10.424 2.294 ( -0.458 3.022 1.868) 3.582 2.398 ( 0.354 -0.433 -2.196) 2.266 2.513 ( 0.809 -2.459 2.719) 3.755 2.571 ( -15.135 -0.527 0.391) 15.149 2.646 ( -0.578 -3.565 -4.866) 6.060 2.776 ( 2.669 -4.130 -1.677) 5.195 2.842 ( -0.511 0.303 -0.438) 0.738 3.019 ( -4.368 -1.772 -0.589) 4.750 3.044 ( -4.805 -3.596 4.029) 7.229 3.205 ( 2.103 0.964 4.624) 5.170 3.339 ( -3.579 -1.809 -3.467) 5.301 3.424 ( 5.980 0.061 -0.373) 5.992 3.512 ( -5.876 5.076 3.659) 8.584 3.638 ( 3.581 0.955 -2.168) 4.293 3.657 ( 2.942 1.180 -3.936) 5.053 3.788 ( 1.749 1.192 0.843) 2.278 3.808 ( -3.512 0.991 -4.645) 5.907 3.980 ( -1.999 5.889 3.370) 7.074 4.047 ( 2.882 3.774 3.897) 6.142 4.213 ( 3.106 2.605 1.653) 4.378 4.241 ( 6.016 -3.018 -1.175) 6.833 4.443 ( 4.473 2.949 -2.189) 5.787 4.530 ( 1.002 -0.959 3.395) 3.668 4.571 ( 2.253 2.567 -1.309) 3.658 4.658 ( 8.340 2.751 -1.881) 8.981 4.921 ( 3.743 1.469 -2.039) 4.508 4.982 ( 7.837 -3.822 0.050) 8.720 5.010 ( 8.448 -0.802 -1.466) 8.611 5.105 ( 4.546 -0.427 0.581) 4.603 5.133 ( -0.165 -4.136 1.618) 4.444 5.223 ( 5.690 -7.089 -0.581) 9.109 5.347 ( -4.587 1.228 1.716) 5.049 5.382 ( 5.265 0.236 4.873) 7.178 5.656 ( 2.991 -2.494 -4.639) 6.056 5.870 ( -2.872 -0.939 0.359) 3.043 6.013 ( -0.211 -4.274 -0.441) 4.302 6.136 ( 1.200 1.815 -0.801) 2.319 6.264 ( -1.428 -3.159 0.927) 3.589 6.673 ( -5.322 0.631 -4.097) 6.746 6.840 ( -7.096 1.141 4.895) 8.696 6.948 ( -4.601 0.925 -0.908) 4.781 6.999 ( -5.986 -1.325 2.636) 6.674 7.407 ( 3.226 3.680 -6.924) 8.479 7.514 ( 2.641 1.057 -3.751) 4.708 7.737 ( -4.128 4.807 -0.450) 6.352 7.818 ( -4.646 -2.096 -1.699) 5.373 7.975 ( 4.815 4.470 5.781) 8.751 8.146 ( 5.859 -3.385 2.202) 7.116 8.327 ( 0.099 -1.056 3.517) 3.673 8.446 ( 2.727 9.288 -0.858) 9.718 8.659 ( -0.416 1.991 -0.979) 2.258 8.753 ( 5.685 -5.048 -0.788) 7.644 9.343 ( -2.483 7.494 0.312) 7.901 9.405 ( -10.696 1.620 8.514) 13.766 9.549 ( 7.903 9.070 -1.304) 12.100 9.638 ( 4.509 -0.047 -13.286) 14.030 10.067 ( 1.861 0.149 -0.427) 1.915 10.094 ( -8.422 0.325 7.168) 11.064 10.197 ( 4.303 -3.266 -1.829) 5.704 10.553 ( 3.145 -1.104 -4.990) 6.001 10.758 ( -4.751 4.266 3.496) 7.279 10.894 ( 0.367 0.687 1.451) 1.647 11.169 ( -9.348 -0.823 -0.102) 9.385 11.333 ( -5.661 -5.364 0.397) 7.808 11.465 ( -5.721 0.893 0.242) 5.796 11.588 ( -1.202 1.586 -0.161) 1.996 11.737 ( 3.401 1.075 -0.943) 3.689 11.834 ( 2.041 -2.435 0.608) 3.235 12.538 ( 1.002 -0.919 -0.567) 1.474 12.575 ( 1.717 -2.784 0.103) 3.272 12.874 ( -11.827 13.187 1.253) 17.758 13.068 ( -10.664 14.339 -0.471) 17.876 13.402 ( 6.963 2.062 -0.777) 7.303 13.482 ( 4.804 2.295 -0.054) 5.325 16.087 ( 8.493 1.681 -3.537) 9.353 16.245 ( 15.076 0.190 4.434) 15.716 17.821 ( -9.366 5.592 0.019) 10.908 17.978 ( -5.092 -2.576 0.089) 5.708 18.244 ( -13.263 7.262 0.123) 15.121 18.792 ( 0.535 -6.963 -0.733) 7.022 18.892 ( 8.077 0.337 0.608) 8.107 19.026 ( 14.326 -11.581 0.083) 18.422 19.764 ( 3.986 11.875 -2.415) 12.756 19.786 ( 3.512 9.871 3.167) 10.945 20.244 ( -8.807 7.932 9.239) 15.027 20.381 ( -4.509 7.646 -12.868) 15.632 21.058 ( -15.003 -1.957 2.967) 15.418 21.437 ( -2.900 0.885 -12.569) 12.929 21.818 ( -7.432 6.157 8.755) 13.030 22.046 ( -3.970 1.020 2.214) 4.659 22.264 ( 4.116 0.265 -0.722) 4.187 22.436 ( -0.666 2.244 0.011) 2.340 22.619 ( 9.044 -14.691 -3.365) 17.577 22.640 ( 0.493 -9.100 5.144) 10.465 22.819 ( 5.994 -3.602 -1.301) 7.113 22.882 ( 5.627 -6.033 0.453) 8.262 ======================= Grid point 218 (95/102) ======================= q-point: (-0.18 -0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -15.142 -2.935 2.336) 15.599 1.206 ( -11.836 -3.657 -0.785) 12.413 1.385 ( -18.343 -7.184 2.135) 19.815 1.800 ( -5.665 -12.189 -4.133) 14.063 2.024 ( -10.545 -2.887 -2.138) 11.140 2.129 ( -8.131 6.305 1.359) 10.379 2.243 ( -7.037 -5.917 1.878) 9.384 2.425 ( -3.269 -3.962 -3.641) 6.296 2.498 ( -3.348 1.179 2.384) 4.276 2.569 ( -10.693 -7.591 2.078) 13.277 2.686 ( -1.755 -2.402 -1.299) 3.246 2.821 ( -3.428 -1.466 3.313) 4.988 2.892 ( 1.193 -3.775 -3.334) 5.176 3.028 ( 0.807 -3.395 -3.194) 4.730 3.131 ( 0.715 -4.714 1.906) 5.135 3.208 ( -0.897 0.652 4.597) 4.729 3.288 ( -2.366 2.504 -4.243) 5.466 3.393 ( -1.270 4.572 2.401) 5.318 3.521 ( 5.202 -5.694 0.030) 7.713 3.610 ( 0.040 4.440 -1.326) 4.634 3.667 ( 4.900 -0.210 -0.630) 4.945 3.762 ( 1.495 3.135 -4.053) 5.338 3.783 ( 3.151 1.165 -2.302) 4.073 3.840 ( -2.782 6.380 2.223) 7.307 4.022 ( 0.872 1.718 4.840) 5.209 4.178 ( 3.224 3.927 2.125) 5.507 4.304 ( 7.130 3.207 -0.861) 7.865 4.406 ( 2.732 1.403 -1.602) 3.464 4.540 ( 1.007 1.010 5.318) 5.506 4.585 ( 6.287 -1.526 -1.830) 6.724 4.724 ( 10.286 -0.325 -4.243) 11.131 4.884 ( -1.257 1.069 -1.912) 2.526 5.011 ( -1.094 2.025 -0.600) 2.379 5.099 ( 10.034 -0.707 -0.528) 10.073 5.154 ( 2.523 -1.128 2.344) 3.623 5.251 ( 7.771 -2.907 -2.770) 8.747 5.280 ( -4.665 -1.561 1.480) 5.137 5.377 ( 2.297 -5.772 4.688) 7.783 5.506 ( 7.122 -5.266 0.837) 8.897 5.645 ( -3.548 0.644 -1.896) 4.074 5.918 ( 1.306 -2.701 -0.725) 3.087 6.071 ( 1.270 -1.283 0.147) 1.811 6.123 ( -4.450 -3.066 -0.587) 5.436 6.292 ( -2.093 -0.819 0.110) 2.251 6.602 ( -7.021 2.288 -2.092) 7.675 6.787 ( -5.147 -0.156 1.248) 5.298 6.897 ( -6.619 0.097 0.649) 6.652 6.972 ( -4.553 1.407 2.954) 5.607 7.332 ( -1.490 5.422 -1.710) 5.877 7.403 ( -2.615 8.768 -4.792) 10.328 7.663 ( 3.210 2.339 -2.659) 4.780 7.814 ( -5.207 -0.925 -0.336) 5.299 7.955 ( 3.746 2.523 4.222) 6.182 8.206 ( 8.523 3.727 -2.996) 9.772 8.322 ( 1.384 2.884 2.527) 4.076 8.343 ( -4.729 1.481 -1.772) 5.263 8.627 ( 0.198 0.144 3.390) 3.399 8.870 ( 5.421 -3.152 0.155) 6.272 9.163 ( -0.434 10.906 0.721) 10.939 9.253 ( 1.253 12.311 0.753) 12.397 9.421 ( -10.303 2.661 7.113) 12.799 9.642 ( 3.457 0.347 -14.264) 14.681 10.029 ( -6.058 1.566 3.777) 7.309 10.104 ( 1.772 -2.249 1.173) 3.094 10.304 ( 5.576 -4.520 -0.549) 7.199 10.596 ( 3.128 -2.349 -2.644) 4.722 10.662 ( -4.709 3.030 1.251) 5.738 10.869 ( 1.074 2.086 2.694) 3.572 11.157 ( -6.852 -2.991 -0.258) 7.481 11.338 ( -8.176 1.342 0.259) 8.290 11.376 ( -3.675 3.088 -0.068) 4.800 11.532 ( -4.789 2.710 -0.057) 5.503 11.758 ( 4.620 0.311 -0.196) 4.635 11.893 ( 2.524 -1.893 0.112) 3.157 12.444 ( -13.273 12.421 -0.353) 18.182 12.584 ( -6.603 3.970 0.558) 7.725 12.664 ( 0.725 0.536 0.669) 1.122 12.700 ( -5.490 10.619 -0.456) 11.962 13.420 ( 6.693 2.218 -0.797) 7.096 13.437 ( 5.118 6.326 0.139) 8.138 16.107 ( 6.222 1.425 -2.678) 6.922 16.298 ( 8.287 4.911 3.193) 10.148 17.704 ( -5.152 0.116 -0.113) 5.155 18.007 ( -2.619 -4.083 -0.205) 4.855 18.093 ( -12.775 -1.049 0.074) 12.819 18.805 ( 1.255 3.291 1.142) 3.703 18.915 ( 7.649 4.155 -0.411) 8.714 19.365 ( 11.511 -5.440 -0.337) 12.736 19.567 ( 0.851 9.282 -1.075) 9.382 19.643 ( 5.675 9.488 4.148) 11.808 19.973 ( -8.528 9.078 -4.635) 13.290 20.156 ( -5.158 11.543 -0.816) 12.669 20.959 ( -17.327 -0.172 0.859) 17.349 21.409 ( -6.929 -4.634 -1.438) 8.459 21.799 ( -2.200 -4.213 0.414) 4.770 22.023 ( -4.338 -1.428 2.507) 5.210 22.232 ( 4.559 5.145 -1.575) 7.053 22.399 ( 1.028 2.986 -0.459) 3.191 22.742 ( -0.951 -5.947 4.131) 7.303 22.882 ( 5.314 -5.331 -5.652) 9.414 23.038 ( 9.623 -9.631 1.106) 13.659 23.062 ( 8.915 -9.900 1.238) 13.380 ======================= Grid point 219 (96/102) ======================= q-point: (-0.09 -0.36 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -10.252 -9.492 -5.115) 14.878 1.274 ( -9.367 -11.273 1.951) 14.786 1.461 ( -9.734 -12.569 -0.055) 15.898 1.878 ( -8.667 5.022 11.030) 14.899 1.984 ( -7.702 -5.384 -7.486) 12.015 2.037 ( -3.182 -4.596 0.364) 5.602 2.350 ( -11.445 -7.682 -0.887) 13.813 2.401 ( 1.214 0.751 -1.735) 2.247 2.500 ( -8.024 -5.715 1.597) 9.980 2.650 ( -6.617 -6.079 1.320) 9.082 2.705 ( 1.389 -1.576 -2.681) 3.406 2.809 ( -6.699 -3.328 3.702) 8.346 2.977 ( 4.067 -1.604 -3.547) 5.630 3.083 ( -1.072 -3.955 -0.799) 4.175 3.166 ( -2.336 1.462 -2.210) 3.532 3.222 ( 0.278 -4.280 0.686) 4.344 3.267 ( 3.050 0.378 0.232) 3.082 3.352 ( -0.839 0.363 3.327) 3.450 3.501 ( 3.049 7.941 -3.895) 9.356 3.657 ( -4.063 3.725 2.140) 5.913 3.673 ( 2.788 -2.755 2.785) 4.809 3.714 ( 1.781 2.815 -2.132) 3.955 3.728 ( 6.918 -1.818 -4.201) 8.295 3.826 ( 4.434 1.021 0.436) 4.571 4.033 ( -2.664 -2.423 4.650) 5.882 4.158 ( 3.145 2.508 1.749) 4.386 4.246 ( 4.024 4.142 1.310) 5.921 4.424 ( 2.932 0.301 -2.453) 3.835 4.527 ( 5.692 4.177 3.040) 7.686 4.655 ( 5.028 -0.541 -2.224) 5.524 4.768 ( 4.302 0.641 -5.625) 7.110 4.878 ( -1.655 -1.953 0.366) 2.586 4.996 ( 0.838 -1.785 1.495) 2.474 5.147 ( 0.842 1.387 -2.636) 3.095 5.180 ( 0.258 -1.630 2.916) 3.350 5.270 ( 5.983 -0.257 -0.806) 6.042 5.346 ( 4.306 -0.122 -0.696) 4.364 5.495 ( -1.139 -5.350 4.588) 7.139 5.617 ( 0.798 -0.913 -2.509) 2.786 5.640 ( 1.874 -4.179 1.958) 4.981 5.930 ( 2.168 2.718 -0.425) 3.503 6.097 ( 1.285 -1.431 1.134) 2.233 6.175 ( -6.780 -6.756 -0.866) 9.611 6.268 ( -6.109 -0.032 -0.199) 6.113 6.466 ( -10.721 4.667 -0.523) 11.704 6.787 ( -1.107 -0.853 -0.809) 1.615 6.827 ( -8.045 4.726 4.212) 10.237 6.874 ( -3.263 3.164 -2.753) 5.314 7.190 ( -5.555 4.979 -0.189) 7.463 7.248 ( -1.233 7.332 -3.607) 8.264 7.657 ( 4.756 0.899 -2.353) 5.382 7.778 ( -5.424 0.854 3.004) 6.259 7.948 ( 0.343 1.124 2.036) 2.351 8.149 ( 4.585 8.353 -4.556) 10.562 8.210 ( -4.654 4.112 -5.185) 8.090 8.314 ( -1.565 1.213 3.109) 3.686 8.687 ( 4.208 -2.952 5.773) 7.730 8.894 ( 0.122 3.698 1.922) 4.170 8.972 ( 4.097 10.513 1.449) 11.376 9.149 ( 8.230 1.879 -1.554) 8.583 9.341 ( -11.307 -0.527 7.653) 13.663 9.601 ( 1.035 2.837 -12.349) 12.713 9.984 ( -3.703 -0.199 2.260) 4.342 10.169 ( -0.982 -4.775 0.216) 4.880 10.424 ( 5.078 -4.513 -0.633) 6.823 10.587 ( -3.374 1.832 0.557) 3.879 10.681 ( 4.257 -4.378 -2.391) 6.557 10.866 ( 1.977 0.648 4.340) 4.813 11.125 ( -4.987 1.785 -1.492) 5.503 11.195 ( -9.562 5.494 1.963) 11.201 11.312 ( -1.991 3.200 -0.271) 3.779 11.404 ( -5.577 6.788 -0.940) 8.835 11.769 ( 3.402 2.233 -0.026) 4.070 11.923 ( 2.032 0.861 -0.134) 2.211 12.189 ( -7.232 4.873 0.183) 8.723 12.293 ( -12.194 10.053 -0.155) 15.805 12.681 ( 1.160 -2.783 0.751) 3.107 12.732 ( 0.383 -3.563 -0.619) 3.637 13.334 ( 4.291 8.498 -0.116) 9.521 13.418 ( 5.382 3.476 -0.061) 6.407 16.114 ( 3.135 1.044 -2.038) 3.882 16.230 ( 0.039 5.663 2.200) 6.075 17.737 ( 2.149 -3.988 -0.390) 4.547 18.078 ( -3.568 -6.195 -2.399) 7.541 18.094 ( -3.220 -5.661 2.453) 6.959 18.722 ( -4.154 5.923 2.231) 7.571 18.844 ( 7.440 9.440 -1.272) 12.086 19.265 ( -3.060 9.395 0.292) 9.885 19.430 ( -5.004 7.378 -0.706) 8.943 19.528 ( 3.509 6.736 0.790) 7.636 19.888 ( -2.762 11.063 -3.457) 11.915 20.058 ( 11.377 -6.725 1.184) 13.269 20.850 ( -14.224 -1.775 0.646) 14.349 21.470 ( -7.035 -7.274 0.665) 10.141 21.879 ( 0.373 -5.275 -1.883) 5.613 22.030 ( -3.813 -1.482 1.948) 4.531 22.177 ( 3.344 3.669 1.043) 5.073 22.334 ( 1.646 4.990 -2.799) 5.954 22.841 ( -2.219 -5.147 6.363) 8.479 22.971 ( 3.848 -2.725 -6.338) 7.899 23.208 ( 4.974 -5.012 2.403) 7.459 23.288 ( 10.474 -5.025 -1.437) 11.706 ======================= Grid point 228 (97/102) ======================= q-point: (-0.27 -0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -21.079 -0.000 8.148) 22.599 1.230 ( -24.729 -0.000 4.430) 25.123 1.356 ( -6.789 -0.000 -6.077) 9.111 1.389 ( -13.171 -0.000 -8.869) 15.879 1.996 ( -16.753 -0.000 3.931) 17.208 2.007 ( -22.548 -0.000 0.528) 22.554 2.213 ( -15.445 -0.000 -3.205) 15.774 2.374 ( -12.828 -0.000 3.719) 13.357 2.474 ( 0.543 0.000 7.328) 7.348 2.556 ( 1.600 0.000 -5.451) 5.680 2.650 ( 6.999 0.000 -4.878) 8.531 2.727 ( 6.208 0.000 -9.686) 11.504 2.909 ( -8.490 -0.000 9.248) 12.554 2.940 ( 9.587 0.000 -2.679) 9.954 2.985 ( -7.103 -0.000 3.279) 7.823 3.219 ( -1.225 -0.000 2.645) 2.915 3.308 ( 0.750 0.000 -0.300) 0.808 3.482 ( 6.452 0.000 1.167) 6.557 3.497 ( -8.369 -0.000 1.221) 8.458 3.671 ( 4.527 0.000 -1.118) 4.663 3.690 ( 2.926 0.000 -6.800) 7.402 3.768 ( -3.835 -0.000 -2.955) 4.841 3.830 ( 2.577 0.000 1.871) 3.185 4.000 ( -4.053 -0.000 1.176) 4.220 4.165 ( 0.154 0.000 2.624) 2.629 4.190 ( 4.605 0.000 5.710) 7.336 4.300 ( 10.595 0.000 -1.907) 10.765 4.476 ( 3.624 0.000 -2.127) 4.202 4.607 ( 6.542 0.000 -4.933) 8.194 4.608 ( 6.549 0.000 3.614) 7.480 4.762 ( 0.948 0.000 0.693) 1.174 4.871 ( 6.249 0.000 -0.118) 6.250 5.028 ( -0.879 -0.000 -3.672) 3.776 5.051 ( 9.948 0.000 -3.953) 10.704 5.083 ( 0.187 0.000 2.972) 2.978 5.159 ( 6.778 0.000 -1.257) 6.894 5.201 ( 3.701 0.000 3.504) 5.097 5.335 ( 6.209 0.000 -0.700) 6.249 5.468 ( -0.101 -0.000 12.153) 12.154 5.642 ( 7.667 0.000 -11.829) 14.096 5.817 ( -7.437 -0.000 1.506) 7.588 5.983 ( 3.285 0.000 -1.701) 3.700 6.186 ( -4.765 -0.000 4.243) 6.380 6.221 ( 7.481 0.000 -2.539) 7.901 6.633 ( -4.410 -0.000 -4.551) 6.337 6.796 ( -9.660 -0.000 4.810) 10.791 6.906 ( -10.552 -0.000 2.267) 10.793 6.948 ( -3.570 -0.000 -1.173) 3.758 7.469 ( 4.299 0.000 -11.284) 12.075 7.493 ( -2.591 -0.000 -0.537) 2.646 7.739 ( -11.406 -0.000 3.077) 11.813 7.772 ( 1.645 0.000 -4.028) 4.351 8.053 ( 3.400 0.000 -3.812) 5.108 8.161 ( 5.690 0.000 12.614) 13.838 8.328 ( 1.254 0.000 4.025) 4.216 8.618 ( 4.645 0.000 0.679) 4.694 8.683 ( 1.364 0.000 -1.555) 2.068 8.690 ( 3.374 0.000 -2.637) 4.283 9.338 ( -13.252 -0.000 10.854) 17.129 9.361 ( -8.060 -0.000 -1.137) 8.140 9.634 ( 6.917 0.000 -14.073) 15.681 9.744 ( 9.649 0.000 -6.122) 11.427 10.065 ( -3.236 -0.000 6.457) 7.222 10.109 ( 6.436 0.000 2.312) 6.838 10.190 ( 4.804 0.000 -1.650) 5.079 10.554 ( 3.008 0.000 -6.210) 6.900 10.817 ( -2.600 -0.000 4.673) 5.348 10.846 ( -3.471 -0.000 0.085) 3.472 11.126 ( -7.605 -0.000 -6.050) 9.718 11.228 ( -3.707 -0.000 10.499) 11.134 11.424 ( -5.758 -0.000 0.023) 5.758 11.583 ( -4.911 -0.000 -2.506) 5.514 11.786 ( 5.881 0.000 -0.524) 5.905 11.820 ( 1.827 0.000 0.900) 2.036 12.540 ( -0.415 -0.000 0.218) 0.469 12.563 ( 2.876 0.000 -0.476) 2.915 12.912 ( -13.146 -0.000 3.214) 13.534 13.131 ( -9.220 -0.000 -4.529) 10.272 13.485 ( 4.505 0.000 0.474) 4.530 13.512 ( 4.939 0.000 -0.657) 4.983 16.159 ( 8.794 0.000 -7.667) 11.667 16.400 ( 20.873 0.000 9.218) 22.818 17.818 ( -10.299 -0.000 0.411) 10.308 17.891 ( -6.661 -0.000 -0.084) 6.662 18.370 ( -8.131 -0.000 2.819) 8.606 18.536 ( -3.533 -0.000 -5.226) 6.308 18.967 ( 9.692 0.000 1.838) 9.865 19.041 ( 12.089 0.000 -0.887) 12.121 19.895 ( 0.768 0.000 -0.659) 1.012 19.929 ( 5.930 0.000 0.159) 5.932 20.270 ( -9.745 -0.000 11.287) 14.912 20.392 ( -3.476 -0.000 -12.368) 12.847 20.927 ( -17.098 -0.000 3.288) 17.411 21.388 ( -2.953 -0.000 -22.839) 23.029 21.995 ( -4.799 -0.000 6.633) 8.187 22.022 ( -3.602 -0.000 -3.857) 5.278 22.187 ( -0.660 -0.000 18.925) 18.936 22.420 ( 2.727 0.000 0.020) 2.727 22.548 ( 2.296 0.000 5.814) 6.251 22.555 ( 6.135 0.000 -8.153) 10.203 22.844 ( 4.571 0.000 -0.298) 4.581 22.855 ( 6.776 0.000 -0.298) 6.783 ======================= Grid point 229 (98/102) ======================= q-point: (-0.18 -0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -19.967 -1.741 9.323) 22.105 1.081 ( -19.647 -2.474 1.349) 19.848 1.173 ( -13.634 1.883 -4.484) 14.475 1.498 ( -7.594 -13.801 -7.879) 17.613 1.852 ( -25.062 -5.327 0.639) 25.630 1.939 ( -19.470 -7.199 4.168) 21.172 2.082 ( -20.943 -1.422 -3.270) 21.245 2.333 ( -8.602 -2.801 0.827) 9.085 2.496 ( -1.221 -1.459 5.894) 6.193 2.564 ( 6.486 6.734 -5.023) 10.613 2.582 ( -4.793 -1.949 -2.570) 5.777 2.814 ( 1.837 0.270 -0.434) 1.907 2.867 ( -1.301 -0.930 2.354) 2.846 2.954 ( -1.972 -3.201 -1.249) 3.962 3.061 ( 7.084 -3.826 -0.582) 8.072 3.255 ( 1.295 -2.227 3.406) 4.270 3.285 ( -1.295 2.818 -0.552) 3.150 3.443 ( -2.542 0.848 0.797) 2.796 3.494 ( 1.472 0.880 0.665) 1.839 3.676 ( 2.537 2.800 -4.465) 5.849 3.701 ( 4.567 0.418 -0.254) 4.593 3.760 ( 0.503 -2.679 -2.715) 3.847 3.835 ( 2.072 1.446 -0.853) 2.666 3.937 ( -1.995 4.909 0.020) 5.299 4.119 ( 1.816 4.886 6.235) 8.127 4.243 ( -0.237 0.251 3.047) 3.066 4.370 ( 10.507 0.009 -1.065) 10.561 4.480 ( 4.022 3.334 -1.629) 5.472 4.596 ( 5.698 2.596 -2.547) 6.760 4.612 ( 4.073 1.946 1.830) 4.871 4.787 ( 7.835 -0.143 -1.520) 7.982 4.936 ( 2.236 5.131 -3.271) 6.483 5.007 ( -3.425 -3.539 -0.094) 4.926 5.125 ( 1.897 -3.183 1.884) 4.157 5.141 ( 3.694 -3.365 -1.049) 5.106 5.194 ( 7.904 -1.144 0.503) 8.002 5.271 ( 4.678 -2.970 -0.089) 5.542 5.395 ( 6.070 1.450 2.369) 6.675 5.485 ( 3.727 -2.427 5.522) 7.090 5.648 ( 0.846 2.156 -6.809) 7.192 5.840 ( -0.598 -5.311 -0.724) 5.393 6.014 ( 0.801 -1.649 -1.980) 2.699 6.140 ( -0.798 2.198 3.513) 4.220 6.281 ( 2.968 -0.355 -1.063) 3.172 6.581 ( -6.180 1.471 -2.831) 6.955 6.734 ( -7.938 -0.425 1.468) 8.084 6.835 ( -10.190 -0.521 2.173) 10.432 6.931 ( -4.889 -1.927 -0.378) 5.269 7.393 ( -4.984 4.386 -1.240) 6.754 7.470 ( -6.046 3.093 -4.241) 8.007 7.673 ( -3.089 -1.474 -3.791) 5.108 7.766 ( -1.082 0.960 -3.352) 3.650 8.049 ( 4.351 2.951 0.758) 5.312 8.238 ( 2.344 -1.690 8.111) 8.611 8.348 ( 1.480 0.440 1.244) 1.983 8.498 ( 4.473 10.887 -0.570) 11.783 8.650 ( -0.394 1.393 0.953) 1.733 8.833 ( 5.750 -5.901 -1.725) 8.417 9.257 ( -7.889 2.981 -0.321) 8.440 9.275 ( -11.242 0.139 8.429) 14.051 9.633 ( 2.297 14.816 -4.961) 15.793 9.647 ( 4.887 0.940 -12.077) 13.062 10.046 ( -0.339 2.541 2.533) 3.604 10.139 ( 6.937 2.504 2.972) 7.951 10.285 ( 8.723 -3.743 0.369) 9.499 10.576 ( 2.746 -1.563 -4.773) 5.724 10.694 ( -5.391 4.936 2.299) 7.662 10.908 ( 0.572 -0.674 0.541) 1.037 11.043 ( -7.412 -1.862 -0.549) 7.662 11.277 ( -4.331 -2.502 3.365) 6.028 11.390 ( -3.662 0.597 4.565) 5.883 11.516 ( -6.668 1.113 -3.773) 7.742 11.809 ( 5.242 1.060 0.394) 5.362 11.873 ( 3.562 -2.456 -0.256) 4.334 12.501 ( -7.963 3.962 0.867) 8.936 12.589 ( -0.235 -0.007 -0.893) 0.923 12.735 ( -6.278 7.988 2.054) 10.365 12.873 ( -14.808 15.122 -3.088) 21.389 13.498 ( 6.601 1.362 -1.010) 6.816 13.547 ( 4.004 1.778 -0.027) 4.381 16.180 ( 6.796 2.070 -7.081) 10.031 16.509 ( 15.893 8.042 8.655) 19.803 17.692 ( -7.490 3.765 0.168) 8.385 17.896 ( -5.703 -4.582 -0.420) 7.327 18.045 ( -13.590 9.132 -0.392) 16.378 18.792 ( -0.377 -9.515 -1.746) 9.681 19.027 ( 9.775 1.632 0.742) 9.938 19.255 ( 16.917 -14.552 -0.282) 22.317 19.788 ( 0.260 11.279 -1.676) 11.406 19.862 ( 4.543 10.212 0.795) 11.205 20.085 ( -15.374 12.900 2.111) 20.180 20.281 ( -4.364 6.970 -3.737) 9.033 20.820 ( -17.863 -1.341 1.240) 17.957 21.290 ( -9.881 -0.007 -14.298) 17.381 21.768 ( -4.227 5.266 8.637) 10.964 21.995 ( -3.794 1.111 1.051) 4.091 22.327 ( 4.675 0.621 -0.872) 4.796 22.424 ( -1.255 0.154 1.348) 1.848 22.650 ( 1.750 -5.375 2.135) 6.043 22.797 ( 12.330 -12.953 -1.658) 17.960 22.917 ( 8.668 -9.072 0.842) 12.576 22.972 ( 6.341 -6.517 0.799) 9.128 ======================= Grid point 230 (99/102) ======================= q-point: (-0.09 -0.27 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -14.022 -5.201 -1.240) 15.007 1.043 ( -10.583 -5.888 -0.589) 12.125 1.152 ( -13.627 -11.713 1.730) 18.052 1.680 ( -8.029 -13.674 -3.270) 16.190 1.860 ( -12.513 -10.932 0.343) 16.620 1.944 ( -15.325 0.488 4.657) 16.024 2.006 ( -19.923 -13.731 -0.858) 24.211 2.317 ( -14.278 -4.407 7.187) 16.582 2.478 ( 5.748 3.568 -9.506) 11.668 2.517 ( -0.348 -0.650 1.041) 1.276 2.644 ( -3.047 -5.682 -2.156) 6.798 2.756 ( -4.820 0.970 0.504) 4.943 2.905 ( -2.397 -4.050 0.684) 4.756 3.011 ( -3.728 -3.094 0.470) 4.867 3.164 ( 6.355 -1.483 -5.244) 8.372 3.224 ( 3.737 1.554 0.953) 4.158 3.301 ( 1.771 -0.373 3.291) 3.756 3.391 ( -1.368 3.377 2.710) 4.541 3.574 ( 3.212 -6.467 -1.531) 7.382 3.619 ( 2.905 4.621 -3.496) 6.482 3.722 ( 0.949 0.707 3.351) 3.554 3.777 ( 2.034 4.809 -5.293) 7.435 3.831 ( 4.623 3.961 -1.396) 6.246 3.848 ( 4.399 -1.260 -0.262) 4.583 4.047 ( -1.597 4.277 6.740) 8.141 4.222 ( 2.445 2.079 2.092) 3.831 4.398 ( 1.429 7.252 -0.500) 7.408 4.438 ( 6.816 0.279 -0.801) 6.869 4.601 ( 4.496 0.962 2.726) 5.345 4.672 ( 5.593 -1.890 -2.795) 6.532 4.789 ( -3.781 -0.450 2.292) 4.444 4.883 ( 3.777 5.557 -7.152) 9.813 4.980 ( 0.802 -0.782 -1.436) 1.822 5.135 ( -2.821 -0.740 2.837) 4.069 5.221 ( 4.903 0.751 1.191) 5.101 5.296 ( 3.136 -1.253 1.359) 3.641 5.376 ( 10.707 -2.703 -2.778) 11.387 5.434 ( 3.554 -2.089 2.644) 4.897 5.566 ( -3.148 -3.124 2.150) 4.929 5.624 ( 5.145 -0.547 -3.214) 6.091 5.922 ( -0.776 -4.101 -1.146) 4.328 6.042 ( -2.750 -2.935 -1.500) 4.293 6.116 ( 0.618 1.682 4.183) 4.550 6.256 ( -2.182 2.356 -1.292) 3.461 6.458 ( -11.855 3.997 -0.112) 12.511 6.728 ( -1.718 -2.657 -3.437) 4.672 6.786 ( -8.902 -0.926 3.933) 9.776 6.917 ( -5.376 1.560 -0.113) 5.599 7.216 ( -12.489 5.473 2.141) 13.803 7.349 ( -1.659 6.004 -8.835) 10.810 7.696 ( 2.418 0.346 -5.581) 6.092 7.709 ( -9.137 -1.051 2.053) 9.424 8.014 ( 2.010 3.949 3.740) 5.798 8.219 ( -6.119 3.731 -2.120) 7.474 8.337 ( 8.878 6.370 -6.354) 12.640 8.365 ( 0.824 4.420 5.989) 7.489 8.682 ( 4.524 -2.554 4.972) 7.191 8.927 ( 1.866 -0.778 -0.217) 2.033 9.154 ( 0.189 4.868 -1.101) 4.994 9.233 ( -7.902 -1.389 7.592) 11.046 9.322 ( -3.364 13.882 1.906) 14.410 9.627 ( 0.672 1.552 -10.415) 10.551 9.990 ( 0.105 3.254 -0.163) 3.259 10.133 ( 0.299 1.279 2.355) 2.697 10.410 ( 8.308 -2.924 0.632) 8.830 10.602 ( -3.464 2.681 0.778) 4.449 10.636 ( 3.794 -3.390 -3.525) 6.190 10.896 ( 1.051 0.521 3.186) 3.395 11.068 ( -5.148 -3.376 -0.605) 6.186 11.215 ( -8.669 3.640 1.782) 9.569 11.350 ( -0.629 2.593 0.388) 2.696 11.440 ( -6.698 2.525 -0.050) 7.159 11.830 ( 4.441 1.202 0.263) 4.608 11.937 ( 4.004 -1.435 -0.875) 4.343 12.249 ( -12.507 9.577 0.123) 15.753 12.381 ( -17.679 12.095 -0.662) 21.431 12.675 ( 0.893 0.737 1.464) 1.867 12.696 ( 1.514 -1.159 -0.957) 2.133 13.493 ( 3.481 5.444 0.274) 6.468 13.518 ( 5.685 3.515 -1.014) 6.761 16.164 ( 3.654 2.455 -4.787) 6.504 16.374 ( -1.840 11.566 5.806) 13.072 17.684 ( 3.511 -4.381 -0.230) 5.618 17.931 ( -7.108 -4.252 -1.418) 8.403 17.966 ( -4.086 -6.409 1.191) 7.694 18.799 ( -4.456 4.409 0.409) 6.282 19.044 ( 9.867 5.294 -0.205) 11.200 19.457 ( -2.727 14.587 -0.699) 14.856 19.538 ( -3.329 8.210 1.122) 8.930 19.680 ( 0.135 7.504 -2.840) 8.025 19.958 ( 10.265 -7.148 -2.454) 12.747 20.086 ( -4.031 9.216 2.348) 10.330 20.716 ( -15.291 -1.365 0.716) 15.369 21.265 ( -11.696 -7.734 -2.761) 14.291 21.782 ( -0.749 -4.783 1.890) 5.197 21.970 ( -3.753 -1.395 1.018) 4.131 22.286 ( 3.295 5.016 -0.398) 6.015 22.407 ( 0.785 2.427 -1.688) 3.059 22.757 ( -0.197 -4.727 6.372) 7.936 22.933 ( 5.040 -3.379 -6.769) 9.091 23.141 ( 5.606 -7.406 3.001) 9.761 23.263 ( 15.821 -9.173 -2.194) 18.420 ======================= Grid point 241 (100/102) ======================= q-point: (-0.18 -0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( -20.850 -0.000 11.644) 23.881 0.875 ( -26.417 -0.000 8.357) 27.707 1.157 ( -12.325 -0.000 -10.847) 16.419 1.259 ( -0.898 -0.000 -10.840) 10.877 1.521 ( -41.133 -0.000 9.276) 42.166 1.730 ( -21.465 -0.000 -4.300) 21.892 1.935 ( -14.951 -0.000 -4.060) 15.493 2.274 ( -3.147 -0.000 -1.305) 3.407 2.432 ( -10.824 -0.000 6.571) 12.662 2.492 ( -5.170 -0.000 -5.371) 7.455 2.761 ( -0.025 -0.000 4.008) 4.008 2.795 ( 5.047 0.000 0.569) 5.078 2.877 ( 6.355 0.000 0.733) 6.397 2.893 ( -4.280 -0.000 -0.669) 4.332 3.108 ( 11.972 0.000 -1.230) 12.035 3.207 ( -0.818 -0.000 1.762) 1.943 3.352 ( 3.356 0.000 1.561) 3.701 3.408 ( -1.982 -0.000 -4.921) 5.305 3.534 ( -0.762 -0.000 2.290) 2.414 3.671 ( -1.933 -0.000 -5.440) 5.773 3.726 ( -0.335 -0.000 -2.752) 2.773 3.751 ( 5.642 0.000 0.106) 5.643 3.838 ( -1.337 -0.000 2.515) 2.848 3.972 ( -0.077 -0.000 -0.874) 0.878 4.210 ( -5.453 -0.000 9.462) 10.921 4.221 ( 6.576 0.000 -2.696) 7.108 4.472 ( 11.208 0.000 0.971) 11.250 4.541 ( 6.307 0.000 -2.075) 6.640 4.650 ( 2.828 0.000 -3.553) 4.541 4.696 ( 3.330 0.000 1.834) 3.802 4.837 ( 8.848 0.000 -3.882) 9.662 4.907 ( -3.192 -0.000 0.044) 3.192 5.049 ( 7.107 0.000 -0.615) 7.134 5.066 ( -1.655 -0.000 0.372) 1.697 5.161 ( 7.879 0.000 -6.075) 9.949 5.213 ( 0.272 0.000 2.744) 2.758 5.292 ( 10.206 0.000 1.470) 10.311 5.468 ( -6.429 -0.000 9.406) 11.394 5.473 ( 8.625 0.000 -1.022) 8.686 5.693 ( 6.370 0.000 -12.296) 13.848 5.775 ( 0.963 0.000 2.236) 2.435 6.018 ( 2.261 0.000 -3.115) 3.849 6.159 ( -1.410 -0.000 5.778) 5.947 6.322 ( 7.273 0.000 -2.053) 7.557 6.547 ( -7.093 -0.000 -2.032) 7.378 6.663 ( -10.074 -0.000 2.303) 10.334 6.758 ( -8.337 -0.000 -0.322) 8.343 6.850 ( -9.255 -0.000 -1.818) 9.431 7.363 ( -18.920 -0.000 8.493) 20.739 7.448 ( -0.957 -0.000 -9.261) 9.310 7.615 ( -2.483 -0.000 -5.664) 6.184 7.766 ( -1.174 -0.000 -8.506) 8.586 8.120 ( 7.739 0.000 -1.804) 7.946 8.257 ( 0.248 0.000 12.685) 12.688 8.379 ( 4.211 0.000 0.850) 4.296 8.617 ( -6.223 -0.000 5.515) 8.315 8.712 ( 1.042 0.000 -1.821) 2.098 8.764 ( 10.289 0.000 -3.070) 10.738 9.192 ( -12.082 -0.000 10.754) 16.175 9.232 ( -7.159 -0.000 -4.061) 8.230 9.635 ( 0.015 0.000 -8.699) 8.699 9.806 ( 4.599 0.000 -11.428) 12.318 10.106 ( 6.658 0.000 -0.032) 6.658 10.288 ( 13.922 0.000 6.001) 15.161 10.301 ( 11.267 0.000 -1.402) 11.354 10.566 ( 2.373 0.000 -5.612) 6.093 10.787 ( -3.505 -0.000 1.805) 3.943 10.789 ( -4.470 -0.000 0.205) 4.475 11.014 ( -3.898 -0.000 -6.582) 7.650 11.234 ( -3.563 -0.000 6.690) 7.580 11.396 ( 2.387 0.000 12.056) 12.290 11.460 ( -8.836 -0.000 -4.921) 10.113 11.853 ( 2.681 0.000 -0.524) 2.731 11.882 ( 6.567 0.000 -0.086) 6.568 12.488 ( -8.660 -0.000 3.462) 9.327 12.592 ( 1.021 0.000 -2.476) 2.678 12.763 ( -7.723 -0.000 3.353) 8.419 12.916 ( -16.196 -0.000 -11.494) 19.860 13.553 ( 4.306 0.000 0.326) 4.318 13.575 ( 4.017 0.000 -0.795) 4.095 16.231 ( 6.519 0.000 -10.480) 12.342 16.798 ( 27.453 0.000 11.094) 29.610 17.693 ( -6.537 -0.000 1.239) 6.654 17.792 ( -6.413 -0.000 -1.763) 6.651 18.256 ( -9.435 -0.000 3.538) 10.076 18.417 ( -9.550 -0.000 -13.694) 16.695 19.120 ( 9.876 0.000 2.355) 10.153 19.230 ( 13.932 0.000 -0.089) 13.932 19.867 ( -3.669 -0.000 -2.214) 4.285 20.017 ( 5.424 0.000 0.785) 5.481 20.134 ( -14.279 -0.000 7.737) 16.240 20.314 ( -1.477 -0.000 -6.580) 6.744 20.671 ( -18.324 -0.000 1.618) 18.395 21.167 ( -13.725 -0.000 -30.370) 33.327 21.956 ( -2.834 -0.000 2.351) 3.682 21.969 ( -2.265 -0.000 -1.555) 2.747 22.269 ( 1.549 0.000 15.505) 15.582 22.436 ( 0.055 0.000 -0.727) 0.729 22.657 ( 11.095 0.000 -5.681) 12.465 22.658 ( 8.258 0.000 14.625) 16.796 22.904 ( 3.645 0.000 -0.211) 3.652 22.946 ( 5.990 0.000 -1.352) 6.141 ======================= Grid point 242 (101/102) ======================= q-point: (-0.09 -0.18 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -19.736 -3.247 10.031) 22.376 0.798 ( -20.336 -9.540 8.959) 24.183 1.008 ( -4.798 2.764 -13.604) 14.688 1.376 ( -7.339 -12.360 -4.695) 15.122 1.414 ( -28.253 -17.415 8.004) 34.140 1.625 ( -23.841 -8.727 -9.725) 27.187 1.858 ( -6.710 -1.386 2.443) 7.274 2.231 ( -6.140 1.447 -1.400) 6.462 2.426 ( -7.703 -6.158 3.745) 10.549 2.488 ( -5.496 -5.338 -3.920) 8.606 2.645 ( 1.291 8.409 5.930) 10.371 2.805 ( -1.148 6.120 -3.176) 6.989 2.843 ( -1.233 -1.545 1.761) 2.648 2.960 ( 1.675 -0.488 -0.380) 1.786 3.191 ( 9.524 -0.732 -5.865) 11.209 3.258 ( 0.476 -3.119 4.559) 5.544 3.313 ( 3.304 2.458 -0.338) 4.132 3.432 ( -1.694 1.700 -0.056) 2.400 3.501 ( 2.113 -2.889 -1.847) 4.028 3.696 ( 2.502 0.162 -4.642) 5.276 3.715 ( -1.777 -1.562 1.236) 2.670 3.804 ( 2.236 -2.216 -0.960) 3.291 3.843 ( 2.600 0.453 -0.640) 2.716 3.936 ( 1.696 3.333 -0.379) 3.759 4.130 ( -4.486 4.575 6.928) 9.437 4.261 ( 2.838 0.601 -1.794) 3.411 4.493 ( 5.530 4.837 2.629) 7.803 4.568 ( 8.153 2.737 -2.367) 8.920 4.657 ( 3.178 -1.329 -0.180) 3.449 4.682 ( 3.615 3.836 0.007) 5.271 4.813 ( -2.453 4.860 -0.024) 5.444 4.918 ( -6.615 -0.373 -2.586) 7.112 5.026 ( 10.188 2.532 -5.802) 11.994 5.115 ( 1.430 -0.700 2.584) 3.035 5.223 ( 3.588 -3.484 0.216) 5.006 5.301 ( 5.763 -3.363 -0.204) 6.675 5.394 ( 10.160 -2.647 0.998) 10.546 5.435 ( -3.199 -1.069 4.449) 5.583 5.531 ( 5.690 -0.336 -1.128) 5.811 5.672 ( 3.633 2.849 -8.259) 9.462 5.836 ( -0.373 -3.494 0.308) 3.527 6.005 ( -1.154 0.171 -2.393) 2.662 6.156 ( -0.463 1.582 6.110) 6.329 6.317 ( 2.640 4.380 -2.111) 5.533 6.434 ( -12.576 3.439 0.833) 13.064 6.648 ( -5.541 -3.997 1.353) 6.965 6.715 ( -4.480 -0.575 -1.891) 4.897 6.832 ( -7.913 -4.901 -2.744) 9.704 7.191 ( -19.736 3.470 6.728) 21.138 7.391 ( -2.718 2.795 -10.770) 11.454 7.621 ( -2.092 -2.039 -3.820) 4.809 7.700 ( -6.137 1.530 -7.175) 9.564 8.124 ( 5.006 4.986 1.856) 7.305 8.265 ( -2.253 3.887 6.387) 7.809 8.392 ( 4.124 0.040 -0.064) 4.124 8.544 ( 0.694 7.030 1.514) 7.225 8.678 ( 3.760 -1.253 2.513) 4.693 8.898 ( 3.819 -3.824 -2.123) 5.806 9.143 ( -9.795 -1.241 9.550) 13.736 9.171 ( -3.268 0.252 -4.133) 5.275 9.588 ( -3.336 6.800 -3.911) 8.525 9.658 ( -0.065 11.889 -6.099) 13.362 10.103 ( 8.058 6.134 -3.451) 10.699 10.254 ( 4.266 10.092 5.569) 12.290 10.437 ( 9.773 -1.703 1.095) 9.981 10.599 ( 3.250 -2.618 -3.688) 5.569 10.641 ( -1.545 3.367 1.042) 3.848 10.901 ( -1.370 -3.207 -2.075) 4.058 10.954 ( -4.429 -1.985 0.664) 4.898 11.205 ( -6.000 1.095 1.435) 6.266 11.367 ( -7.381 1.580 -3.965) 8.526 11.454 ( 3.055 2.075 10.785) 11.400 11.871 ( 3.440 0.261 -0.989) 3.589 11.941 ( 5.334 -1.487 -0.687) 5.580 12.323 ( -16.096 9.886 1.314) 18.935 12.448 ( -20.476 11.383 -5.800) 24.135 12.700 ( -0.740 1.504 0.021) 1.676 12.708 ( -2.565 2.116 0.178) 3.330 13.578 ( 4.348 1.723 -0.977) 4.778 13.598 ( 3.490 0.857 -0.668) 3.655 16.229 ( 5.639 2.695 -9.332) 11.232 16.703 ( 0.007 26.929 10.437) 28.881 17.636 ( 1.418 -2.527 -0.094) 2.899 17.817 ( -3.620 -6.318 -2.141) 7.590 17.867 ( -9.076 4.760 0.309) 10.253 18.717 ( -10.210 -11.357 -8.085) 17.280 19.176 ( 9.627 2.037 1.919) 10.025 19.512 ( 17.834 -14.949 -1.449) 23.316 19.755 ( -4.261 10.967 -1.375) 11.846 19.778 ( -16.396 19.501 -0.798) 25.490 19.977 ( 2.018 4.161 5.167) 6.934 20.227 ( -1.157 7.569 -1.104) 7.736 20.577 ( -14.853 -2.192 0.641) 15.027 21.018 ( -18.697 -6.074 -15.565) 25.075 21.766 ( -1.061 4.918 8.377) 9.772 21.947 ( -2.960 1.386 0.003) 3.268 22.383 ( 3.286 2.317 -1.708) 4.369 22.413 ( -0.729 -1.323 0.689) 1.660 22.708 ( 3.737 -2.824 5.241) 7.029 22.910 ( 5.545 -1.952 -4.791) 7.583 23.050 ( 5.996 -7.969 1.128) 10.036 23.150 ( 19.043 -18.753 -1.139) 26.751 ======================= Grid point 253 (102/102) ======================= q-point: (-0.09 -0.09 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 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( -20.885 -0.000 12.768) 24.479 0.560 ( -21.549 -0.000 14.784) 26.133 0.937 ( -17.372 -0.000 1.509) 17.437 1.025 ( -24.975 -0.000 9.073) 26.572 1.239 ( -1.342 -0.000 -12.272) 12.345 1.361 ( -12.752 -0.000 -21.210) 24.748 1.822 ( -0.508 -0.000 4.123) 4.155 2.245 ( 0.385 0.000 -4.082) 4.100 2.269 ( -11.855 -0.000 6.047) 13.308 2.397 ( -3.924 -0.000 -5.751) 6.962 2.721 ( -5.186 -0.000 7.685) 9.271 2.812 ( -3.315 -0.000 1.697) 3.724 2.904 ( 4.069 0.000 3.158) 5.150 3.017 ( 7.941 0.000 -1.625) 8.105 3.216 ( 1.601 0.000 0.674) 1.737 3.256 ( 9.243 0.000 -3.534) 9.896 3.393 ( 3.121 0.000 -8.171) 8.747 3.402 ( 2.440 0.000 0.779) 2.562 3.496 ( -3.990 -0.000 0.788) 4.067 3.604 ( -3.573 -0.000 -5.838) 6.845 3.734 ( 3.945 0.000 -4.113) 5.699 3.777 ( -4.034 -0.000 6.222) 7.415 3.874 ( 4.848 0.000 -1.156) 4.984 3.974 ( -0.365 -0.000 -0.720) 0.807 4.140 ( -7.092 -0.000 7.587) 10.386 4.286 ( 3.302 0.000 -7.274) 7.988 4.597 ( 3.405 0.000 4.706) 5.809 4.621 ( 2.880 0.000 1.176) 3.111 4.702 ( 7.639 0.000 -6.161) 9.814 4.733 ( 3.246 0.000 -0.327) 3.262 4.842 ( -3.700 -0.000 -3.386) 5.015 4.875 ( -5.542 -0.000 2.062) 5.913 5.120 ( 11.608 0.000 -5.619) 12.897 5.153 ( 4.219 0.000 2.843) 5.088 5.221 ( 3.825 0.000 -5.346) 6.574 5.254 ( 4.770 0.000 0.093) 4.771 5.374 ( -3.696 -0.000 5.179) 6.363 5.486 ( 9.740 0.000 0.878) 9.780 5.575 ( 6.759 0.000 -2.789) 7.312 5.674 ( -6.582 -0.000 -12.563) 14.183 5.827 ( 3.652 0.000 2.795) 4.599 5.984 ( -5.028 -0.000 -3.446) 6.096 6.206 ( 3.898 0.000 4.796) 6.180 6.355 ( -10.989 -0.000 -0.580) 11.004 6.430 ( 0.904 0.000 3.594) 3.706 6.542 ( -5.972 -0.000 0.447) 5.989 6.672 ( -11.807 -0.000 -3.313) 12.263 6.695 ( -0.564 -0.000 -4.797) 4.830 7.083 ( -19.890 -0.000 8.949) 21.811 7.356 ( -7.341 -0.000 -12.641) 14.618 7.602 ( 3.586 0.000 -8.177) 8.928 7.624 ( -13.636 -0.000 -3.693) 14.127 8.259 ( 11.331 0.000 -0.104) 11.331 8.289 ( -1.667 -0.000 9.707) 9.849 8.454 ( 7.335 0.000 -5.665) 9.268 8.514 ( -10.938 -0.000 7.128) 13.055 8.725 ( 1.274 0.000 3.409) 3.639 8.907 ( 8.862 0.000 -2.562) 9.225 9.086 ( -8.396 -0.000 9.927) 13.001 9.138 ( -1.379 -0.000 -7.130) 7.262 9.584 ( -3.661 -0.000 0.026) 3.661 9.802 ( 1.479 0.000 -12.404) 12.492 10.265 ( 16.612 0.000 -4.322) 17.165 10.482 ( 13.305 0.000 -1.772) 13.423 10.497 ( 9.480 0.000 2.309) 9.757 10.590 ( 3.867 0.000 -2.045) 4.374 10.716 ( -5.769 -0.000 0.474) 5.788 10.730 ( -4.615 -0.000 -0.198) 4.619 10.960 ( 0.487 0.000 -5.449) 5.471 11.180 ( -4.106 -0.000 1.142) 4.262 11.309 ( -8.200 -0.000 -4.050) 9.146 11.589 ( 10.911 0.000 8.673) 13.938 11.895 ( 4.109 0.000 -0.566) 4.147 11.963 ( 4.430 0.000 -0.813) 4.504 12.331 ( -14.101 -0.000 5.904) 15.287 12.353 ( -36.985 -0.000 -20.522) 42.298 12.699 ( -1.560 -0.000 -2.098) 2.615 12.710 ( -2.034 -0.000 1.245) 2.384 13.607 ( 2.873 0.000 -0.112) 2.875 13.618 ( 2.033 0.000 -0.573) 2.112 16.295 ( 10.375 0.000 -10.395) 14.687 17.236 ( 20.532 0.000 -9.156) 22.481 17.648 ( -0.574 -0.000 1.066) 1.211 17.663 ( -10.792 -0.000 -7.645) 13.226 18.034 ( -32.412 -0.000 -13.903) 35.269 18.121 ( -10.846 -0.000 3.050) 11.266 19.291 ( 13.050 0.000 6.521) 14.589 19.447 ( 15.160 0.000 1.414) 15.226 19.803 ( -3.068 -0.000 0.195) 3.074 19.908 ( -19.030 -0.000 5.364) 19.771 20.102 ( 5.448 0.000 -1.592) 5.676 20.288 ( 0.414 0.000 -3.386) 3.411 20.435 ( -13.647 -0.000 0.949) 13.680 20.693 ( -33.051 -0.000 -26.807) 42.556 21.934 ( -0.971 -0.000 0.408) 1.054 21.940 ( -1.254 -0.000 -0.436) 1.327 22.342 ( 1.842 0.000 6.090) 6.363 22.429 ( -0.043 -0.000 -1.558) 1.559 22.803 ( 9.895 0.000 -1.713) 10.043 22.915 ( 13.083 0.000 7.717) 15.189 22.953 ( 5.533 0.000 3.780) 6.701 23.015 ( 4.242 0.000 -1.677) 4.561 =================== 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 3/37026 10.0 230.379 127.568 84.451 -0.000 -22.204 0.000 3/37026 20.0 67.837 38.965 21.884 -0.000 -7.265 0.000 3/37026 30.0 33.030 19.095 10.467 -0.000 -3.562 0.000 3/37026 40.0 20.488 11.848 6.551 -0.000 -2.270 0.000 3/37026 50.0 14.502 8.377 4.701 -0.000 -1.658 0.000 3/37026 60.0 11.134 6.420 3.657 -0.000 -1.307 0.000 3/37026 70.0 9.015 5.189 2.995 -0.000 -1.082 0.000 3/37026 80.0 7.573 4.352 2.541 -0.000 -0.925 0.000 3/37026 90.0 6.533 3.750 2.211 -0.000 -0.809 0.000 3/37026 100.0 5.748 3.298 1.959 -0.000 -0.720 0.000 3/37026 110.0 5.137 2.947 1.762 -0.000 -0.649 0.000 3/37026 120.0 4.647 2.666 1.602 -0.000 -0.592 0.000 3/37026 130.0 4.247 2.437 1.471 -0.000 -0.544 0.000 3/37026 140.0 3.913 2.247 1.360 -0.000 -0.504 0.000 3/37026 150.0 3.630 2.087 1.266 -0.000 -0.469 0.000 3/37026 160.0 3.387 1.949 1.185 -0.000 -0.439 0.000 3/37026 170.0 3.177 1.830 1.114 -0.000 -0.413 0.000 3/37026 180.0 2.993 1.726 1.052 -0.000 -0.389 0.000 3/37026 190.0 2.830 1.634 0.997 -0.000 -0.369 0.000 3/37026 200.0 2.686 1.553 0.948 -0.000 -0.350 0.000 3/37026 210.0 2.556 1.480 0.904 -0.000 -0.334 0.000 3/37026 220.0 2.439 1.414 0.864 -0.000 -0.319 0.000 3/37026 230.0 2.332 1.354 0.827 -0.000 -0.305 0.000 3/37026 240.0 2.236 1.299 0.794 -0.000 -0.292 0.000 3/37026 250.0 2.147 1.249 0.764 -0.000 -0.281 0.000 3/37026 260.0 2.065 1.203 0.736 -0.000 -0.270 0.000 3/37026 270.0 1.990 1.161 0.710 -0.000 -0.260 0.000 3/37026 280.0 1.920 1.121 0.686 -0.000 -0.251 0.000 3/37026 290.0 1.855 1.085 0.663 -0.000 -0.243 0.000 3/37026 300.0 1.795 1.051 0.642 -0.000 -0.235 0.000 3/37026 310.0 1.738 1.019 0.623 -0.000 -0.227 0.000 3/37026 320.0 1.686 0.988 0.604 -0.000 -0.220 0.000 3/37026 330.0 1.636 0.960 0.587 -0.000 -0.214 0.000 3/37026 340.0 1.589 0.934 0.571 -0.000 -0.208 0.000 3/37026 350.0 1.545 0.908 0.555 -0.000 -0.202 0.000 3/37026 360.0 1.503 0.885 0.541 -0.000 -0.197 0.000 3/37026 370.0 1.464 0.862 0.527 -0.000 -0.191 0.000 3/37026 380.0 1.426 0.841 0.514 -0.000 -0.186 0.000 3/37026 390.0 1.391 0.820 0.501 -0.000 -0.182 0.000 3/37026 400.0 1.357 0.801 0.490 -0.000 -0.177 0.000 3/37026 410.0 1.325 0.783 0.478 -0.000 -0.173 0.000 3/37026 420.0 1.294 0.765 0.467 -0.000 -0.169 0.000 3/37026 430.0 1.265 0.748 0.457 -0.000 -0.165 0.000 3/37026 440.0 1.237 0.732 0.447 -0.000 -0.162 0.000 3/37026 450.0 1.210 0.717 0.438 -0.000 -0.158 0.000 3/37026 460.0 1.185 0.702 0.429 -0.000 -0.155 0.000 3/37026 470.0 1.160 0.688 0.420 -0.000 -0.152 0.000 3/37026 480.0 1.137 0.674 0.412 -0.000 -0.149 0.000 3/37026 490.0 1.114 0.661 0.404 -0.000 -0.146 0.000 3/37026 500.0 1.092 0.648 0.396 -0.000 -0.143 0.000 3/37026 510.0 1.072 0.636 0.389 -0.000 -0.140 0.000 3/37026 520.0 1.051 0.624 0.382 -0.000 -0.137 0.000 3/37026 530.0 1.032 0.613 0.375 -0.000 -0.135 0.000 3/37026 540.0 1.013 0.602 0.368 -0.000 -0.132 0.000 3/37026 550.0 0.995 0.592 0.362 -0.000 -0.130 0.000 3/37026 560.0 0.978 0.582 0.355 -0.000 -0.128 0.000 3/37026 570.0 0.961 0.572 0.349 -0.000 -0.126 0.000 3/37026 580.0 0.945 0.562 0.344 -0.000 -0.123 0.000 3/37026 590.0 0.929 0.553 0.338 -0.000 -0.121 0.000 3/37026 600.0 0.914 0.544 0.333 -0.000 -0.119 0.000 3/37026 610.0 0.900 0.536 0.327 -0.000 -0.117 0.000 3/37026 620.0 0.885 0.528 0.322 -0.000 -0.116 0.000 3/37026 630.0 0.872 0.519 0.317 -0.000 -0.114 0.000 3/37026 640.0 0.858 0.512 0.312 -0.000 -0.112 0.000 3/37026 650.0 0.845 0.504 0.308 -0.000 -0.110 0.000 3/37026 660.0 0.833 0.497 0.303 -0.000 -0.109 0.000 3/37026 670.0 0.821 0.489 0.299 -0.000 -0.107 0.000 3/37026 680.0 0.809 0.483 0.295 -0.000 -0.106 0.000 3/37026 690.0 0.797 0.476 0.291 -0.000 -0.104 0.000 3/37026 700.0 0.786 0.469 0.287 -0.000 -0.103 0.000 3/37026 710.0 0.775 0.463 0.283 -0.000 -0.101 0.000 3/37026 720.0 0.765 0.457 0.279 -0.000 -0.100 0.000 3/37026 730.0 0.754 0.450 0.275 -0.000 -0.098 0.000 3/37026 740.0 0.744 0.445 0.271 -0.000 -0.097 0.000 3/37026 750.0 0.735 0.439 0.268 -0.000 -0.096 0.000 3/37026 760.0 0.725 0.433 0.265 -0.000 -0.095 0.000 3/37026 770.0 0.716 0.428 0.261 -0.000 -0.093 0.000 3/37026 780.0 0.707 0.422 0.258 -0.000 -0.092 0.000 3/37026 790.0 0.698 0.417 0.255 -0.000 -0.091 0.000 3/37026 800.0 0.689 0.412 0.252 -0.000 -0.090 0.000 3/37026 810.0 0.681 0.407 0.249 -0.000 -0.089 0.000 3/37026 820.0 0.673 0.402 0.246 -0.000 -0.088 0.000 3/37026 830.0 0.665 0.398 0.243 -0.000 -0.087 0.000 3/37026 840.0 0.657 0.393 0.240 -0.000 -0.086 0.000 3/37026 850.0 0.649 0.388 0.237 -0.000 -0.085 0.000 3/37026 860.0 0.642 0.384 0.234 -0.000 -0.084 0.000 3/37026 870.0 0.635 0.380 0.232 -0.000 -0.083 0.000 3/37026 880.0 0.627 0.375 0.229 -0.000 -0.082 0.000 3/37026 890.0 0.621 0.371 0.227 -0.000 -0.081 0.000 3/37026 900.0 0.614 0.367 0.224 -0.000 -0.080 0.000 3/37026 910.0 0.607 0.363 0.222 -0.000 -0.079 0.000 3/37026 920.0 0.601 0.359 0.220 -0.000 -0.078 0.000 3/37026 930.0 0.594 0.356 0.217 -0.000 -0.078 0.000 3/37026 940.0 0.588 0.352 0.215 -0.000 -0.077 0.000 3/37026 950.0 0.582 0.348 0.213 -0.000 -0.076 0.000 3/37026 960.0 0.576 0.345 0.211 -0.000 -0.075 0.000 3/37026 970.0 0.570 0.341 0.208 -0.000 -0.074 0.000 3/37026 980.0 0.564 0.338 0.206 -0.000 -0.074 0.000 3/37026 990.0 0.559 0.335 0.204 -0.000 -0.073 0.000 3/37026 1000.0 0.553 0.331 0.202 -0.000 -0.072 0.000 3/37026 Thermal conductivity related properties were written into "kappa-m11113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:41:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|