----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:27:19]------------------------- 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: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.815831209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.451439130000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.011420970000000 Atomic positions (fractional): *1 O 0.00000000000000 0.56587618246621 0.75000000000000 15.999 2 O 0.50000000000000 0.93412381753379 0.25000000000000 15.999 3 O 0.00000000000000 0.43412381753379 0.25000000000000 15.999 4 O 0.50000000000000 0.06587618246621 0.75000000000000 15.999 *5 O 0.30061365740938 0.71010135628290 0.16486771601161 15.999 6 O 0.19938634259062 0.78989864371710 0.66486771601161 15.999 7 O 0.80061365740938 0.78989864371710 0.83513228398839 15.999 8 O 0.69938634259062 0.71010135628290 0.33513228398839 15.999 9 O 0.69938634259062 0.28989864371710 0.83513228398839 15.999 10 O 0.80061365740938 0.21010135628290 0.33513228398839 15.999 11 O 0.19938634259062 0.21010135628290 0.16486771601161 15.999 12 O 0.30061365740938 0.28989864371710 0.66486771601161 15.999 *13 O 0.34431921323134 0.43464075308961 0.04439389955011 15.999 14 O 0.15568078676866 0.06535924691039 0.54439389955011 15.999 15 O 0.84431921323134 0.06535924691039 0.95560610044989 15.999 16 O 0.65568078676866 0.43464075308961 0.45560610044989 15.999 17 O 0.65568078676866 0.56535924691039 0.95560610044989 15.999 18 O 0.84431921323134 0.93464075308961 0.45560610044989 15.999 19 O 0.15568078676866 0.93464075308961 0.04439389955011 15.999 20 O 0.34431921323134 0.56535924691039 0.54439389955011 15.999 *21 Zn 0.00000000000000 0.93922763826781 0.75000000000000 65.380 22 Zn 0.50000000000000 0.56077236173219 0.25000000000000 65.380 23 Zn 0.00000000000000 0.06077236173219 0.25000000000000 65.380 24 Zn 0.50000000000000 0.43922763826781 0.75000000000000 65.380 *25 Se 0.36656854774021 0.84525703533669 0.02861112164657 78.960 26 Se 0.13343145225979 0.65474296466331 0.52861112164657 78.960 27 Se 0.86656854774021 0.65474296466331 0.97138887835343 78.960 28 Se 0.63343145225979 0.84525703533669 0.47138887835343 78.960 29 Se 0.63343145225979 0.15474296466331 0.97138887835343 78.960 30 Se 0.86656854774021 0.34525703533669 0.47138887835343 78.960 31 Se 0.13343145225979 0.34525703533669 0.02861112164657 78.960 32 Se 0.36656854774021 0.15474296466331 0.52861112164657 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.815831209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.451439130000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.011420970000000 Atomic positions (fractional): *1 O 0.00000000000000 0.56587618246621 0.75000000000000 15.999 > 1 2 O 0.50000000000000 0.93412381753379 0.25000000000000 15.999 > 2 3 O 0.00000000000000 0.43412381753379 0.25000000000000 15.999 > 3 4 O 0.50000000000000 0.06587618246621 0.75000000000000 15.999 > 4 *5 O 0.30061365740938 0.71010135628290 0.16486771601161 15.999 > 5 6 O 0.19938634259062 0.78989864371710 0.66486771601161 15.999 > 6 7 O 0.80061365740938 0.78989864371710 0.83513228398839 15.999 > 7 8 O 0.69938634259062 0.71010135628290 0.33513228398839 15.999 > 8 9 O 0.69938634259062 0.28989864371710 0.83513228398839 15.999 > 9 10 O 0.80061365740938 0.21010135628290 0.33513228398839 15.999 > 10 11 O 0.19938634259062 0.21010135628290 0.16486771601161 15.999 > 11 12 O 0.30061365740938 0.28989864371710 0.66486771601161 15.999 > 12 *13 O 0.34431921323134 0.43464075308961 0.04439389955011 15.999 > 13 14 O 0.15568078676866 0.06535924691039 0.54439389955011 15.999 > 14 15 O 0.84431921323134 0.06535924691039 0.95560610044989 15.999 > 15 16 O 0.65568078676866 0.43464075308961 0.45560610044989 15.999 > 16 17 O 0.65568078676866 0.56535924691039 0.95560610044989 15.999 > 17 18 O 0.84431921323134 0.93464075308961 0.45560610044989 15.999 > 18 19 O 0.15568078676866 0.93464075308961 0.04439389955011 15.999 > 19 20 O 0.34431921323134 0.56535924691039 0.54439389955011 15.999 > 20 *21 Zn 0.00000000000000 0.93922763826781 0.75000000000000 65.380 > 21 22 Zn 0.50000000000000 0.56077236173219 0.25000000000000 65.380 > 22 23 Zn 0.00000000000000 0.06077236173219 0.25000000000000 65.380 > 23 24 Zn 0.50000000000000 0.43922763826781 0.75000000000000 65.380 > 24 *25 Se 0.36656854774021 0.84525703533669 0.02861112164657 78.960 > 25 26 Se 0.13343145225979 0.65474296466331 0.52861112164657 78.960 > 26 27 Se 0.86656854774021 0.65474296466331 0.97138887835343 78.960 > 27 28 Se 0.63343145225979 0.84525703533669 0.47138887835343 78.960 > 28 29 Se 0.63343145225979 0.15474296466331 0.97138887835343 78.960 > 29 30 Se 0.86656854774021 0.34525703533669 0.47138887835343 78.960 > 30 31 Se 0.13343145225979 0.34525703533669 0.02861112164657 78.960 > 31 32 Se 0.36656854774021 0.15474296466331 0.52861112164657 78.960 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.631662419999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.451439130000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.022841939999999 Atomic positions (fractional): *1 O 0.00000000000000 0.56587618246621 0.37500000000000 15.999 > 1 2 O 0.50000000000000 0.56587618246621 0.37500000000000 15.999 > 1 3 O 0.00000000000000 0.56587618246621 0.87500000000000 15.999 > 1 4 O 0.50000000000000 0.56587618246621 0.87500000000000 15.999 > 1 5 O 0.25000000000000 0.93412381753379 0.12500000000000 15.999 > 2 6 O 0.75000000000000 0.93412381753379 0.12500000000000 15.999 > 2 7 O 0.25000000000000 0.93412381753379 0.62500000000000 15.999 > 2 8 O 0.75000000000000 0.93412381753379 0.62500000000000 15.999 > 2 9 O 0.00000000000000 0.43412381753379 0.12500000000000 15.999 > 3 10 O 0.50000000000000 0.43412381753379 0.12500000000000 15.999 > 3 11 O 0.00000000000000 0.43412381753379 0.62500000000000 15.999 > 3 12 O 0.50000000000000 0.43412381753379 0.62500000000000 15.999 > 3 13 O 0.25000000000000 0.06587618246621 0.37500000000000 15.999 > 4 14 O 0.75000000000000 0.06587618246621 0.37500000000000 15.999 > 4 15 O 0.25000000000000 0.06587618246621 0.87500000000000 15.999 > 4 16 O 0.75000000000000 0.06587618246621 0.87500000000000 15.999 > 4 *17 O 0.15030682870469 0.71010135628290 0.08243385800581 15.999 > 5 18 O 0.65030682870469 0.71010135628290 0.08243385800581 15.999 > 5 19 O 0.15030682870469 0.71010135628290 0.58243385800581 15.999 > 5 20 O 0.65030682870469 0.71010135628290 0.58243385800581 15.999 > 5 21 O 0.09969317129531 0.78989864371710 0.33243385800581 15.999 > 6 22 O 0.59969317129531 0.78989864371710 0.33243385800581 15.999 > 6 23 O 0.09969317129531 0.78989864371710 0.83243385800581 15.999 > 6 24 O 0.59969317129531 0.78989864371710 0.83243385800581 15.999 > 6 25 O 0.40030682870469 0.78989864371710 0.41756614199419 15.999 > 7 26 O 0.90030682870469 0.78989864371710 0.41756614199419 15.999 > 7 27 O 0.40030682870469 0.78989864371710 0.91756614199419 15.999 > 7 28 O 0.90030682870469 0.78989864371710 0.91756614199419 15.999 > 7 29 O 0.34969317129531 0.71010135628290 0.16756614199419 15.999 > 8 30 O 0.84969317129531 0.71010135628290 0.16756614199419 15.999 > 8 31 O 0.34969317129531 0.71010135628290 0.66756614199419 15.999 > 8 32 O 0.84969317129531 0.71010135628290 0.66756614199419 15.999 > 8 33 O 0.34969317129531 0.28989864371710 0.41756614199419 15.999 > 9 34 O 0.84969317129531 0.28989864371710 0.41756614199419 15.999 > 9 35 O 0.34969317129531 0.28989864371710 0.91756614199419 15.999 > 9 36 O 0.84969317129531 0.28989864371710 0.91756614199419 15.999 > 9 37 O 0.40030682870469 0.21010135628290 0.16756614199419 15.999 > 10 38 O 0.90030682870469 0.21010135628290 0.16756614199419 15.999 > 10 39 O 0.40030682870469 0.21010135628290 0.66756614199419 15.999 > 10 40 O 0.90030682870469 0.21010135628290 0.66756614199419 15.999 > 10 41 O 0.09969317129531 0.21010135628290 0.08243385800581 15.999 > 11 42 O 0.59969317129531 0.21010135628290 0.08243385800581 15.999 > 11 43 O 0.09969317129531 0.21010135628290 0.58243385800581 15.999 > 11 44 O 0.59969317129531 0.21010135628290 0.58243385800581 15.999 > 11 45 O 0.15030682870469 0.28989864371710 0.33243385800581 15.999 > 12 46 O 0.65030682870469 0.28989864371710 0.33243385800581 15.999 > 12 47 O 0.15030682870469 0.28989864371710 0.83243385800581 15.999 > 12 48 O 0.65030682870469 0.28989864371710 0.83243385800581 15.999 > 12 *49 O 0.17215960661567 0.43464075308961 0.02219694977506 15.999 > 13 50 O 0.67215960661567 0.43464075308961 0.02219694977506 15.999 > 13 51 O 0.17215960661567 0.43464075308961 0.52219694977506 15.999 > 13 52 O 0.67215960661567 0.43464075308961 0.52219694977506 15.999 > 13 53 O 0.07784039338433 0.06535924691039 0.27219694977506 15.999 > 14 54 O 0.57784039338433 0.06535924691039 0.27219694977506 15.999 > 14 55 O 0.07784039338433 0.06535924691039 0.77219694977506 15.999 > 14 56 O 0.57784039338433 0.06535924691039 0.77219694977506 15.999 > 14 57 O 0.42215960661567 0.06535924691039 0.47780305022494 15.999 > 15 58 O 0.92215960661567 0.06535924691039 0.47780305022494 15.999 > 15 59 O 0.42215960661567 0.06535924691039 0.97780305022494 15.999 > 15 60 O 0.92215960661567 0.06535924691039 0.97780305022494 15.999 > 15 61 O 0.32784039338433 0.43464075308961 0.22780305022494 15.999 > 16 62 O 0.82784039338433 0.43464075308961 0.22780305022494 15.999 > 16 63 O 0.32784039338433 0.43464075308961 0.72780305022494 15.999 > 16 64 O 0.82784039338433 0.43464075308961 0.72780305022494 15.999 > 16 65 O 0.32784039338433 0.56535924691039 0.47780305022494 15.999 > 17 66 O 0.82784039338433 0.56535924691039 0.47780305022494 15.999 > 17 67 O 0.32784039338433 0.56535924691039 0.97780305022494 15.999 > 17 68 O 0.82784039338433 0.56535924691039 0.97780305022494 15.999 > 17 69 O 0.42215960661567 0.93464075308961 0.22780305022494 15.999 > 18 70 O 0.92215960661567 0.93464075308961 0.22780305022494 15.999 > 18 71 O 0.42215960661567 0.93464075308961 0.72780305022494 15.999 > 18 72 O 0.92215960661567 0.93464075308961 0.72780305022494 15.999 > 18 73 O 0.07784039338433 0.93464075308961 0.02219694977506 15.999 > 19 74 O 0.57784039338433 0.93464075308961 0.02219694977506 15.999 > 19 75 O 0.07784039338433 0.93464075308961 0.52219694977506 15.999 > 19 76 O 0.57784039338433 0.93464075308961 0.52219694977506 15.999 > 19 77 O 0.17215960661567 0.56535924691039 0.27219694977506 15.999 > 20 78 O 0.67215960661567 0.56535924691039 0.27219694977506 15.999 > 20 79 O 0.17215960661567 0.56535924691039 0.77219694977506 15.999 > 20 80 O 0.67215960661567 0.56535924691039 0.77219694977506 15.999 > 20 *81 Zn 0.00000000000000 0.93922763826781 0.37500000000000 65.380 > 21 82 Zn 0.50000000000000 0.93922763826781 0.37500000000000 65.380 > 21 83 Zn 0.00000000000000 0.93922763826781 0.87500000000000 65.380 > 21 84 Zn 0.50000000000000 0.93922763826781 0.87500000000000 65.380 > 21 85 Zn 0.25000000000000 0.56077236173219 0.12500000000000 65.380 > 22 86 Zn 0.75000000000000 0.56077236173219 0.12500000000000 65.380 > 22 87 Zn 0.25000000000000 0.56077236173219 0.62500000000000 65.380 > 22 88 Zn 0.75000000000000 0.56077236173219 0.62500000000000 65.380 > 22 89 Zn 0.00000000000000 0.06077236173219 0.12500000000000 65.380 > 23 90 Zn 0.50000000000000 0.06077236173219 0.12500000000000 65.380 > 23 91 Zn 0.00000000000000 0.06077236173219 0.62500000000000 65.380 > 23 92 Zn 0.50000000000000 0.06077236173219 0.62500000000000 65.380 > 23 93 Zn 0.25000000000000 0.43922763826781 0.37500000000000 65.380 > 24 94 Zn 0.75000000000000 0.43922763826781 0.37500000000000 65.380 > 24 95 Zn 0.25000000000000 0.43922763826781 0.87500000000000 65.380 > 24 96 Zn 0.75000000000000 0.43922763826781 0.87500000000000 65.380 > 24 *97 Se 0.18328427387011 0.84525703533669 0.01430556082328 78.960 > 25 98 Se 0.68328427387011 0.84525703533669 0.01430556082328 78.960 > 25 99 Se 0.18328427387011 0.84525703533669 0.51430556082328 78.960 > 25 100 Se 0.68328427387011 0.84525703533669 0.51430556082328 78.960 > 25 101 Se 0.06671572612989 0.65474296466331 0.26430556082328 78.960 > 26 102 Se 0.56671572612989 0.65474296466331 0.26430556082328 78.960 > 26 103 Se 0.06671572612989 0.65474296466331 0.76430556082328 78.960 > 26 104 Se 0.56671572612989 0.65474296466331 0.76430556082328 78.960 > 26 105 Se 0.43328427387011 0.65474296466331 0.48569443917672 78.960 > 27 106 Se 0.93328427387011 0.65474296466331 0.48569443917672 78.960 > 27 107 Se 0.43328427387011 0.65474296466331 0.98569443917672 78.960 > 27 108 Se 0.93328427387011 0.65474296466331 0.98569443917672 78.960 > 27 109 Se 0.31671572612989 0.84525703533669 0.23569443917672 78.960 > 28 110 Se 0.81671572612989 0.84525703533669 0.23569443917672 78.960 > 28 111 Se 0.31671572612989 0.84525703533669 0.73569443917672 78.960 > 28 112 Se 0.81671572612989 0.84525703533669 0.73569443917672 78.960 > 28 113 Se 0.31671572612989 0.15474296466331 0.48569443917672 78.960 > 29 114 Se 0.81671572612989 0.15474296466331 0.48569443917672 78.960 > 29 115 Se 0.31671572612989 0.15474296466331 0.98569443917672 78.960 > 29 116 Se 0.81671572612989 0.15474296466331 0.98569443917672 78.960 > 29 117 Se 0.43328427387011 0.34525703533669 0.23569443917672 78.960 > 30 118 Se 0.93328427387011 0.34525703533669 0.23569443917672 78.960 > 30 119 Se 0.43328427387011 0.34525703533669 0.73569443917672 78.960 > 30 120 Se 0.93328427387011 0.34525703533669 0.73569443917672 78.960 > 30 121 Se 0.06671572612989 0.34525703533669 0.01430556082328 78.960 > 31 122 Se 0.56671572612989 0.34525703533669 0.01430556082328 78.960 > 31 123 Se 0.06671572612989 0.34525703533669 0.51430556082328 78.960 > 31 124 Se 0.56671572612989 0.34525703533669 0.51430556082328 78.960 > 31 125 Se 0.18328427387011 0.15474296466331 0.26430556082328 78.960 > 32 126 Se 0.68328427387011 0.15474296466331 0.26430556082328 78.960 > 32 127 Se 0.18328427387011 0.15474296466331 0.76430556082328 78.960 > 32 128 Se 0.68328427387011 0.15474296466331 0.76430556082328 78.960 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4441696 0.0000000 0.0000000 0.0000000 4.3305153 0.0000000 0.0000000 0.0000000 4.3903696 -------------------------- Born effective charges -------------------------- 1 O -2.0975466 0.0000000 2.5086578 0.0000000 -1.4791457 0.0000000 1.0445960 0.0000000 -2.8284936 2 O -2.0975466 0.0000000 -2.5086578 0.0000000 -1.4791457 0.0000000 -1.0445960 0.0000000 -2.8284936 3 O -2.0975466 0.0000000 2.5086578 0.0000000 -1.4791457 0.0000000 1.0445960 0.0000000 -2.8284936 4 O -2.0975466 0.0000000 -2.5086578 0.0000000 -1.4791457 0.0000000 -1.0445960 0.0000000 -2.8284936 5 O -1.2857566 -0.2346194 0.2612865 -0.4624847 -2.1896943 1.0934054 0.3514468 0.8000020 -1.8035701 6 O -1.2857566 -0.2346194 -0.2612865 -0.4624847 -2.1896943 -1.0934054 -0.3514468 -0.8000020 -1.8035701 7 O -1.2857566 0.2346194 -0.2612865 0.4624847 -2.1896943 1.0934054 -0.3514468 0.8000020 -1.8035701 8 O -1.2857566 0.2346194 0.2612865 0.4624847 -2.1896943 -1.0934054 0.3514468 -0.8000020 -1.8035701 9 O -1.2857566 -0.2346194 0.2612865 -0.4624847 -2.1896943 1.0934054 0.3514468 0.8000020 -1.8035701 10 O -1.2857566 -0.2346194 -0.2612865 -0.4624847 -2.1896943 -1.0934054 -0.3514468 -0.8000020 -1.8035701 11 O -1.2857566 0.2346194 -0.2612865 0.4624847 -2.1896943 1.0934054 -0.3514468 0.8000020 -1.8035701 12 O -1.2857566 0.2346194 0.2612865 0.4624847 -2.1896943 -1.0934054 0.3514468 -0.8000020 -1.8035701 13 O -2.3646466 -0.8523901 0.0327840 -1.2381132 -1.8070991 -0.2979692 0.7311651 0.1667380 -1.2160627 14 O -2.3646466 -0.8523901 -0.0327840 -1.2381132 -1.8070991 0.2979692 -0.7311651 -0.1667380 -1.2160627 15 O -2.3646466 0.8523901 -0.0327840 1.2381132 -1.8070991 -0.2979692 -0.7311651 0.1667380 -1.2160627 16 O -2.3646466 0.8523901 0.0327840 1.2381132 -1.8070991 0.2979692 0.7311651 -0.1667380 -1.2160627 17 O -2.3646466 -0.8523901 0.0327840 -1.2381132 -1.8070991 -0.2979692 0.7311651 0.1667380 -1.2160627 18 O -2.3646466 -0.8523901 -0.0327840 -1.2381132 -1.8070991 0.2979692 -0.7311651 -0.1667380 -1.2160627 19 O -2.3646466 0.8523901 -0.0327840 1.2381132 -1.8070991 -0.2979692 -0.7311651 0.1667380 -1.2160627 20 O -2.3646466 0.8523901 0.0327840 1.2381132 -1.8070991 0.2979692 0.7311651 -0.1667380 -1.2160627 21 Zn 2.7209107 0.0000000 0.1141773 0.0000000 2.9491173 0.0000000 0.3537490 0.0000000 2.3877927 22 Zn 2.7209107 0.0000000 -0.1141773 0.0000000 2.9491173 0.0000000 -0.3537490 0.0000000 2.3877927 23 Zn 2.7209107 0.0000000 0.1141773 0.0000000 2.9491173 0.0000000 0.3537490 0.0000000 2.3877927 24 Zn 2.7209107 0.0000000 -0.1141773 0.0000000 2.9491173 0.0000000 -0.3537490 0.0000000 2.3877927 25 Se 3.3387212 0.6614503 1.4379343 0.0541594 3.2618075 0.1901585 1.2103111 -0.0277507 3.2399832 26 Se 3.3387212 0.6614503 -1.4379343 0.0541594 3.2618075 -0.1901585 -1.2103111 0.0277507 3.2399832 27 Se 3.3387212 -0.6614503 -1.4379343 -0.0541594 3.2618075 0.1901585 -1.2103111 -0.0277507 3.2399832 28 Se 3.3387212 -0.6614503 1.4379343 -0.0541594 3.2618075 -0.1901585 1.2103111 0.0277507 3.2399832 29 Se 3.3387212 0.6614503 1.4379343 0.0541594 3.2618075 0.1901585 1.2103111 -0.0277507 3.2399832 30 Se 3.3387212 0.6614503 -1.4379343 0.0541594 3.2618075 -0.1901585 -1.2103111 0.0277507 3.2399832 31 Se 3.3387212 -0.6614503 -1.4379343 -0.0541594 3.2618075 0.1901585 -1.2103111 -0.0277507 3.2399832 32 Se 3.3387212 -0.6614503 1.4379343 -0.0541594 3.2618075 -0.1901585 1.2103111 0.0277507 3.2399832 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2404 Number of blocks in projector: 2404 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: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 240 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 292 Use standard eigh solver. Tree of FC basis block matrices: - (2404, 2367), data: False |-- (292, 287), data: True |-- (292, 287), data: True |-- (292, 287), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (520, 510), data: False |-- (520, 510), data: False |-- (520, 8), data: (520, 18) @ (18, 8) |-- (270, 262), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.843 Solver_block: 200 / 480 - Time: 0.790 Solver_block: 300 / 480 - Time: 0.793 Solver_block: 400 / 480 - Time: 0.784 Solver_block: 480 / 480 - Time: 0.653 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.955 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xy) 0.00000000 (xy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2404 Number of blocks in projector: 2404 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: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 240 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 292 Use standard eigh solver. Tree of FC basis block matrices: - (2404, 2367), data: False |-- (292, 287), data: True |-- (292, 287), data: True |-- (292, 287), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (520, 510), data: False |-- (520, 510), data: False |-- (520, 8), data: (520, 18) @ (18, 8) |-- (270, 262), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xy) -0.00000000 (xy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 04:27:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:27:47]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.815831209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.451439130000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.011420970000000 Atomic positions (fractional): 1 O 0.00000000000000 0.56587618246621 0.75000000000000 15.999 2 O 0.50000000000000 0.93412381753379 0.25000000000000 15.999 3 O 0.00000000000000 0.43412381753379 0.25000000000000 15.999 4 O 0.50000000000000 0.06587618246621 0.75000000000000 15.999 5 O 0.30061365740938 0.71010135628290 0.16486771601161 15.999 6 O 0.19938634259062 0.78989864371710 0.66486771601161 15.999 7 O 0.80061365740938 0.78989864371710 0.83513228398839 15.999 8 O 0.69938634259062 0.71010135628290 0.33513228398839 15.999 9 O 0.69938634259062 0.28989864371710 0.83513228398839 15.999 10 O 0.80061365740938 0.21010135628290 0.33513228398839 15.999 11 O 0.19938634259062 0.21010135628290 0.16486771601161 15.999 12 O 0.30061365740938 0.28989864371710 0.66486771601161 15.999 13 O 0.34431921323134 0.43464075308961 0.04439389955011 15.999 14 O 0.15568078676866 0.06535924691039 0.54439389955011 15.999 15 O 0.84431921323134 0.06535924691039 0.95560610044989 15.999 16 O 0.65568078676866 0.43464075308961 0.45560610044989 15.999 17 O 0.65568078676866 0.56535924691039 0.95560610044989 15.999 18 O 0.84431921323134 0.93464075308961 0.45560610044989 15.999 19 O 0.15568078676866 0.93464075308961 0.04439389955011 15.999 20 O 0.34431921323134 0.56535924691039 0.54439389955011 15.999 21 Zn 0.00000000000000 0.93922763826781 0.75000000000000 65.380 22 Zn 0.50000000000000 0.56077236173219 0.25000000000000 65.380 23 Zn 0.00000000000000 0.06077236173219 0.25000000000000 65.380 24 Zn 0.50000000000000 0.43922763826781 0.75000000000000 65.380 25 Se 0.36656854774021 0.84525703533669 0.02861112164657 78.960 26 Se 0.13343145225979 0.65474296466331 0.52861112164657 78.960 27 Se 0.86656854774021 0.65474296466331 0.97138887835343 78.960 28 Se 0.63343145225979 0.84525703533669 0.47138887835343 78.960 29 Se 0.63343145225979 0.15474296466331 0.97138887835343 78.960 30 Se 0.86656854774021 0.34525703533669 0.47138887835343 78.960 31 Se 0.13343145225979 0.34525703533669 0.02861112164657 78.960 32 Se 0.36656854774021 0.15474296466331 0.52861112164657 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.631662419999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.451439130000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.022841939999999 Atomic positions (fractional): 1 O 0.00000000000000 0.56587618246621 0.37500000000000 15.999 > 1 2 O 0.50000000000000 0.56587618246621 0.37500000000000 15.999 > 1 3 O 0.00000000000000 0.56587618246621 0.87500000000000 15.999 > 1 4 O 0.50000000000000 0.56587618246621 0.87500000000000 15.999 > 1 5 O 0.25000000000000 0.93412381753379 0.12500000000000 15.999 > 5 6 O 0.75000000000000 0.93412381753379 0.12500000000000 15.999 > 5 7 O 0.25000000000000 0.93412381753379 0.62500000000000 15.999 > 5 8 O 0.75000000000000 0.93412381753379 0.62500000000000 15.999 > 5 9 O 0.00000000000000 0.43412381753379 0.12500000000000 15.999 > 9 10 O 0.50000000000000 0.43412381753379 0.12500000000000 15.999 > 9 11 O 0.00000000000000 0.43412381753379 0.62500000000000 15.999 > 9 12 O 0.50000000000000 0.43412381753379 0.62500000000000 15.999 > 9 13 O 0.25000000000000 0.06587618246621 0.37500000000000 15.999 > 13 14 O 0.75000000000000 0.06587618246621 0.37500000000000 15.999 > 13 15 O 0.25000000000000 0.06587618246621 0.87500000000000 15.999 > 13 16 O 0.75000000000000 0.06587618246621 0.87500000000000 15.999 > 13 17 O 0.15030682870469 0.71010135628290 0.08243385800581 15.999 > 17 18 O 0.65030682870469 0.71010135628290 0.08243385800581 15.999 > 17 19 O 0.15030682870469 0.71010135628290 0.58243385800581 15.999 > 17 20 O 0.65030682870469 0.71010135628290 0.58243385800581 15.999 > 17 21 O 0.09969317129531 0.78989864371710 0.33243385800581 15.999 > 21 22 O 0.59969317129531 0.78989864371710 0.33243385800581 15.999 > 21 23 O 0.09969317129531 0.78989864371710 0.83243385800581 15.999 > 21 24 O 0.59969317129531 0.78989864371710 0.83243385800581 15.999 > 21 25 O 0.40030682870469 0.78989864371710 0.41756614199419 15.999 > 25 26 O 0.90030682870469 0.78989864371710 0.41756614199419 15.999 > 25 27 O 0.40030682870469 0.78989864371710 0.91756614199419 15.999 > 25 28 O 0.90030682870469 0.78989864371710 0.91756614199419 15.999 > 25 29 O 0.34969317129531 0.71010135628290 0.16756614199419 15.999 > 29 30 O 0.84969317129531 0.71010135628290 0.16756614199419 15.999 > 29 31 O 0.34969317129531 0.71010135628290 0.66756614199419 15.999 > 29 32 O 0.84969317129531 0.71010135628290 0.66756614199419 15.999 > 29 33 O 0.34969317129531 0.28989864371710 0.41756614199419 15.999 > 33 34 O 0.84969317129531 0.28989864371710 0.41756614199419 15.999 > 33 35 O 0.34969317129531 0.28989864371710 0.91756614199419 15.999 > 33 36 O 0.84969317129531 0.28989864371710 0.91756614199419 15.999 > 33 37 O 0.40030682870469 0.21010135628290 0.16756614199419 15.999 > 37 38 O 0.90030682870469 0.21010135628290 0.16756614199419 15.999 > 37 39 O 0.40030682870469 0.21010135628290 0.66756614199419 15.999 > 37 40 O 0.90030682870469 0.21010135628290 0.66756614199419 15.999 > 37 41 O 0.09969317129531 0.21010135628290 0.08243385800581 15.999 > 41 42 O 0.59969317129531 0.21010135628290 0.08243385800581 15.999 > 41 43 O 0.09969317129531 0.21010135628290 0.58243385800581 15.999 > 41 44 O 0.59969317129531 0.21010135628290 0.58243385800581 15.999 > 41 45 O 0.15030682870469 0.28989864371710 0.33243385800581 15.999 > 45 46 O 0.65030682870469 0.28989864371710 0.33243385800581 15.999 > 45 47 O 0.15030682870469 0.28989864371710 0.83243385800581 15.999 > 45 48 O 0.65030682870469 0.28989864371710 0.83243385800581 15.999 > 45 49 O 0.17215960661567 0.43464075308961 0.02219694977506 15.999 > 49 50 O 0.67215960661567 0.43464075308961 0.02219694977506 15.999 > 49 51 O 0.17215960661567 0.43464075308961 0.52219694977506 15.999 > 49 52 O 0.67215960661567 0.43464075308961 0.52219694977506 15.999 > 49 53 O 0.07784039338433 0.06535924691039 0.27219694977506 15.999 > 53 54 O 0.57784039338433 0.06535924691039 0.27219694977506 15.999 > 53 55 O 0.07784039338433 0.06535924691039 0.77219694977506 15.999 > 53 56 O 0.57784039338433 0.06535924691039 0.77219694977506 15.999 > 53 57 O 0.42215960661567 0.06535924691039 0.47780305022494 15.999 > 57 58 O 0.92215960661567 0.06535924691039 0.47780305022494 15.999 > 57 59 O 0.42215960661567 0.06535924691039 0.97780305022494 15.999 > 57 60 O 0.92215960661567 0.06535924691039 0.97780305022494 15.999 > 57 61 O 0.32784039338433 0.43464075308961 0.22780305022494 15.999 > 61 62 O 0.82784039338433 0.43464075308961 0.22780305022494 15.999 > 61 63 O 0.32784039338433 0.43464075308961 0.72780305022494 15.999 > 61 64 O 0.82784039338433 0.43464075308961 0.72780305022494 15.999 > 61 65 O 0.32784039338433 0.56535924691039 0.47780305022494 15.999 > 65 66 O 0.82784039338433 0.56535924691039 0.47780305022494 15.999 > 65 67 O 0.32784039338433 0.56535924691039 0.97780305022494 15.999 > 65 68 O 0.82784039338433 0.56535924691039 0.97780305022494 15.999 > 65 69 O 0.42215960661567 0.93464075308961 0.22780305022494 15.999 > 69 70 O 0.92215960661567 0.93464075308961 0.22780305022494 15.999 > 69 71 O 0.42215960661567 0.93464075308961 0.72780305022494 15.999 > 69 72 O 0.92215960661567 0.93464075308961 0.72780305022494 15.999 > 69 73 O 0.07784039338433 0.93464075308961 0.02219694977506 15.999 > 73 74 O 0.57784039338433 0.93464075308961 0.02219694977506 15.999 > 73 75 O 0.07784039338433 0.93464075308961 0.52219694977506 15.999 > 73 76 O 0.57784039338433 0.93464075308961 0.52219694977506 15.999 > 73 77 O 0.17215960661567 0.56535924691039 0.27219694977506 15.999 > 77 78 O 0.67215960661567 0.56535924691039 0.27219694977506 15.999 > 77 79 O 0.17215960661567 0.56535924691039 0.77219694977506 15.999 > 77 80 O 0.67215960661567 0.56535924691039 0.77219694977506 15.999 > 77 81 Zn 0.00000000000000 0.93922763826781 0.37500000000000 65.380 > 81 82 Zn 0.50000000000000 0.93922763826781 0.37500000000000 65.380 > 81 83 Zn 0.00000000000000 0.93922763826781 0.87500000000000 65.380 > 81 84 Zn 0.50000000000000 0.93922763826781 0.87500000000000 65.380 > 81 85 Zn 0.25000000000000 0.56077236173219 0.12500000000000 65.380 > 85 86 Zn 0.75000000000000 0.56077236173219 0.12500000000000 65.380 > 85 87 Zn 0.25000000000000 0.56077236173219 0.62500000000000 65.380 > 85 88 Zn 0.75000000000000 0.56077236173219 0.62500000000000 65.380 > 85 89 Zn 0.00000000000000 0.06077236173219 0.12500000000000 65.380 > 89 90 Zn 0.50000000000000 0.06077236173219 0.12500000000000 65.380 > 89 91 Zn 0.00000000000000 0.06077236173219 0.62500000000000 65.380 > 89 92 Zn 0.50000000000000 0.06077236173219 0.62500000000000 65.380 > 89 93 Zn 0.25000000000000 0.43922763826781 0.37500000000000 65.380 > 93 94 Zn 0.75000000000000 0.43922763826781 0.37500000000000 65.380 > 93 95 Zn 0.25000000000000 0.43922763826781 0.87500000000000 65.380 > 93 96 Zn 0.75000000000000 0.43922763826781 0.87500000000000 65.380 > 93 97 Se 0.18328427387011 0.84525703533669 0.01430556082328 78.960 > 97 98 Se 0.68328427387011 0.84525703533669 0.01430556082328 78.960 > 97 99 Se 0.18328427387011 0.84525703533669 0.51430556082328 78.960 > 97 100 Se 0.68328427387011 0.84525703533669 0.51430556082328 78.960 > 97 101 Se 0.06671572612989 0.65474296466331 0.26430556082328 78.960 > 101 102 Se 0.56671572612989 0.65474296466331 0.26430556082328 78.960 > 101 103 Se 0.06671572612989 0.65474296466331 0.76430556082328 78.960 > 101 104 Se 0.56671572612989 0.65474296466331 0.76430556082328 78.960 > 101 105 Se 0.43328427387011 0.65474296466331 0.48569443917672 78.960 > 105 106 Se 0.93328427387011 0.65474296466331 0.48569443917672 78.960 > 105 107 Se 0.43328427387011 0.65474296466331 0.98569443917672 78.960 > 105 108 Se 0.93328427387011 0.65474296466331 0.98569443917672 78.960 > 105 109 Se 0.31671572612989 0.84525703533669 0.23569443917672 78.960 > 109 110 Se 0.81671572612989 0.84525703533669 0.23569443917672 78.960 > 109 111 Se 0.31671572612989 0.84525703533669 0.73569443917672 78.960 > 109 112 Se 0.81671572612989 0.84525703533669 0.73569443917672 78.960 > 109 113 Se 0.31671572612989 0.15474296466331 0.48569443917672 78.960 > 113 114 Se 0.81671572612989 0.15474296466331 0.48569443917672 78.960 > 113 115 Se 0.31671572612989 0.15474296466331 0.98569443917672 78.960 > 113 116 Se 0.81671572612989 0.15474296466331 0.98569443917672 78.960 > 113 117 Se 0.43328427387011 0.34525703533669 0.23569443917672 78.960 > 117 118 Se 0.93328427387011 0.34525703533669 0.23569443917672 78.960 > 117 119 Se 0.43328427387011 0.34525703533669 0.73569443917672 78.960 > 117 120 Se 0.93328427387011 0.34525703533669 0.73569443917672 78.960 > 117 121 Se 0.06671572612989 0.34525703533669 0.01430556082328 78.960 > 121 122 Se 0.56671572612989 0.34525703533669 0.01430556082328 78.960 > 121 123 Se 0.06671572612989 0.34525703533669 0.51430556082328 78.960 > 121 124 Se 0.56671572612989 0.34525703533669 0.51430556082328 78.960 > 121 125 Se 0.18328427387011 0.15474296466331 0.26430556082328 78.960 > 125 126 Se 0.68328427387011 0.15474296466331 0.26430556082328 78.960 > 125 127 Se 0.18328427387011 0.15474296466331 0.76430556082328 78.960 > 125 128 Se 0.68328427387011 0.15474296466331 0.76430556082328 78.960 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4441696 0.0000000 0.0000000 0.0000000 4.3305153 0.0000000 0.0000000 0.0000000 4.3903696 -------------------------- Born effective charges -------------------------- 1 O -2.0975466 0.0000000 2.5086578 0.0000000 -1.4791457 0.0000000 1.0445960 0.0000000 -2.8284936 2 O -2.0975466 0.0000000 -2.5086578 0.0000000 -1.4791457 0.0000000 -1.0445960 0.0000000 -2.8284936 3 O -2.0975466 0.0000000 2.5086578 0.0000000 -1.4791457 0.0000000 1.0445960 0.0000000 -2.8284936 4 O -2.0975466 0.0000000 -2.5086578 0.0000000 -1.4791457 0.0000000 -1.0445960 0.0000000 -2.8284936 5 O -1.2857566 -0.2346194 0.2612865 -0.4624847 -2.1896943 1.0934054 0.3514468 0.8000020 -1.8035701 6 O -1.2857566 -0.2346194 -0.2612865 -0.4624847 -2.1896943 -1.0934054 -0.3514468 -0.8000020 -1.8035701 7 O -1.2857566 0.2346194 -0.2612865 0.4624847 -2.1896943 1.0934054 -0.3514468 0.8000020 -1.8035701 8 O -1.2857566 0.2346194 0.2612865 0.4624847 -2.1896943 -1.0934054 0.3514468 -0.8000020 -1.8035701 9 O -1.2857566 -0.2346194 0.2612865 -0.4624847 -2.1896943 1.0934054 0.3514468 0.8000020 -1.8035701 10 O -1.2857566 -0.2346194 -0.2612865 -0.4624847 -2.1896943 -1.0934054 -0.3514468 -0.8000020 -1.8035701 11 O -1.2857566 0.2346194 -0.2612865 0.4624847 -2.1896943 1.0934054 -0.3514468 0.8000020 -1.8035701 12 O -1.2857566 0.2346194 0.2612865 0.4624847 -2.1896943 -1.0934054 0.3514468 -0.8000020 -1.8035701 13 O -2.3646466 -0.8523901 0.0327840 -1.2381132 -1.8070991 -0.2979692 0.7311651 0.1667380 -1.2160627 14 O -2.3646466 -0.8523901 -0.0327840 -1.2381132 -1.8070991 0.2979692 -0.7311651 -0.1667380 -1.2160627 15 O -2.3646466 0.8523901 -0.0327840 1.2381132 -1.8070991 -0.2979692 -0.7311651 0.1667380 -1.2160627 16 O -2.3646466 0.8523901 0.0327840 1.2381132 -1.8070991 0.2979692 0.7311651 -0.1667380 -1.2160627 17 O -2.3646466 -0.8523901 0.0327840 -1.2381132 -1.8070991 -0.2979692 0.7311651 0.1667380 -1.2160627 18 O -2.3646466 -0.8523901 -0.0327840 -1.2381132 -1.8070991 0.2979692 -0.7311651 -0.1667380 -1.2160627 19 O -2.3646466 0.8523901 -0.0327840 1.2381132 -1.8070991 -0.2979692 -0.7311651 0.1667380 -1.2160627 20 O -2.3646466 0.8523901 0.0327840 1.2381132 -1.8070991 0.2979692 0.7311651 -0.1667380 -1.2160627 21 Zn 2.7209107 0.0000000 0.1141773 0.0000000 2.9491173 0.0000000 0.3537490 0.0000000 2.3877927 22 Zn 2.7209107 0.0000000 -0.1141773 0.0000000 2.9491173 0.0000000 -0.3537490 0.0000000 2.3877927 23 Zn 2.7209107 0.0000000 0.1141773 0.0000000 2.9491173 0.0000000 0.3537490 0.0000000 2.3877927 24 Zn 2.7209107 0.0000000 -0.1141773 0.0000000 2.9491173 0.0000000 -0.3537490 0.0000000 2.3877927 25 Se 3.3387212 0.6614503 1.4379343 0.0541594 3.2618075 0.1901585 1.2103111 -0.0277507 3.2399832 26 Se 3.3387212 0.6614503 -1.4379343 0.0541594 3.2618075 -0.1901585 -1.2103111 0.0277507 3.2399832 27 Se 3.3387212 -0.6614503 -1.4379343 -0.0541594 3.2618075 0.1901585 -1.2103111 -0.0277507 3.2399832 28 Se 3.3387212 -0.6614503 1.4379343 -0.0541594 3.2618075 -0.1901585 1.2103111 0.0277507 3.2399832 29 Se 3.3387212 0.6614503 1.4379343 0.0541594 3.2618075 0.1901585 1.2103111 -0.0277507 3.2399832 30 Se 3.3387212 0.6614503 -1.4379343 0.0541594 3.2618075 -0.1901585 -1.2103111 0.0277507 3.2399832 31 Se 3.3387212 -0.6614503 -1.4379343 -0.0541594 3.2618075 0.1901585 -1.2103111 -0.0277507 3.2399832 32 Se 3.3387212 -0.6614503 1.4379343 -0.0541594 3.2618075 -0.1901585 1.2103111 0.0277507 3.2399832 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:28:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:28:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.815831209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.451439130000001 0.000000000000000 c 0.000000000000000 0.000000000000000 6.011420970000000 Atomic positions (fractional): 1 O 0.00000000000000 0.56587618246621 0.75000000000000 15.999 2 O 0.50000000000000 0.93412381753379 0.25000000000000 15.999 3 O 0.00000000000000 0.43412381753379 0.25000000000000 15.999 4 O 0.50000000000000 0.06587618246621 0.75000000000000 15.999 5 O 0.30061365740938 0.71010135628290 0.16486771601161 15.999 6 O 0.19938634259062 0.78989864371710 0.66486771601161 15.999 7 O 0.80061365740938 0.78989864371710 0.83513228398839 15.999 8 O 0.69938634259062 0.71010135628290 0.33513228398839 15.999 9 O 0.69938634259062 0.28989864371710 0.83513228398839 15.999 10 O 0.80061365740938 0.21010135628290 0.33513228398839 15.999 11 O 0.19938634259062 0.21010135628290 0.16486771601161 15.999 12 O 0.30061365740938 0.28989864371710 0.66486771601161 15.999 13 O 0.34431921323134 0.43464075308961 0.04439389955011 15.999 14 O 0.15568078676866 0.06535924691039 0.54439389955011 15.999 15 O 0.84431921323134 0.06535924691039 0.95560610044989 15.999 16 O 0.65568078676866 0.43464075308961 0.45560610044989 15.999 17 O 0.65568078676866 0.56535924691039 0.95560610044989 15.999 18 O 0.84431921323134 0.93464075308961 0.45560610044989 15.999 19 O 0.15568078676866 0.93464075308961 0.04439389955011 15.999 20 O 0.34431921323134 0.56535924691039 0.54439389955011 15.999 21 Zn 0.00000000000000 0.93922763826781 0.75000000000000 65.380 22 Zn 0.50000000000000 0.56077236173219 0.25000000000000 65.380 23 Zn 0.00000000000000 0.06077236173219 0.25000000000000 65.380 24 Zn 0.50000000000000 0.43922763826781 0.75000000000000 65.380 25 Se 0.36656854774021 0.84525703533669 0.02861112164657 78.960 26 Se 0.13343145225979 0.65474296466331 0.52861112164657 78.960 27 Se 0.86656854774021 0.65474296466331 0.97138887835343 78.960 28 Se 0.63343145225979 0.84525703533669 0.47138887835343 78.960 29 Se 0.63343145225979 0.15474296466331 0.97138887835343 78.960 30 Se 0.86656854774021 0.34525703533669 0.47138887835343 78.960 31 Se 0.13343145225979 0.34525703533669 0.02861112164657 78.960 32 Se 0.36656854774021 0.15474296466331 0.52861112164657 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.631662419999998 0.000000000000000 0.000000000000000 b 0.000000000000000 10.451439130000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.022841939999999 Atomic positions (fractional): 1 O 0.00000000000000 0.56587618246621 0.37500000000000 15.999 > 1 2 O 0.50000000000000 0.56587618246621 0.37500000000000 15.999 > 1 3 O 0.00000000000000 0.56587618246621 0.87500000000000 15.999 > 1 4 O 0.50000000000000 0.56587618246621 0.87500000000000 15.999 > 1 5 O 0.25000000000000 0.93412381753379 0.12500000000000 15.999 > 5 6 O 0.75000000000000 0.93412381753379 0.12500000000000 15.999 > 5 7 O 0.25000000000000 0.93412381753379 0.62500000000000 15.999 > 5 8 O 0.75000000000000 0.93412381753379 0.62500000000000 15.999 > 5 9 O 0.00000000000000 0.43412381753379 0.12500000000000 15.999 > 9 10 O 0.50000000000000 0.43412381753379 0.12500000000000 15.999 > 9 11 O 0.00000000000000 0.43412381753379 0.62500000000000 15.999 > 9 12 O 0.50000000000000 0.43412381753379 0.62500000000000 15.999 > 9 13 O 0.25000000000000 0.06587618246621 0.37500000000000 15.999 > 13 14 O 0.75000000000000 0.06587618246621 0.37500000000000 15.999 > 13 15 O 0.25000000000000 0.06587618246621 0.87500000000000 15.999 > 13 16 O 0.75000000000000 0.06587618246621 0.87500000000000 15.999 > 13 17 O 0.15030682870469 0.71010135628290 0.08243385800581 15.999 > 17 18 O 0.65030682870469 0.71010135628290 0.08243385800581 15.999 > 17 19 O 0.15030682870469 0.71010135628290 0.58243385800581 15.999 > 17 20 O 0.65030682870469 0.71010135628290 0.58243385800581 15.999 > 17 21 O 0.09969317129531 0.78989864371710 0.33243385800581 15.999 > 21 22 O 0.59969317129531 0.78989864371710 0.33243385800581 15.999 > 21 23 O 0.09969317129531 0.78989864371710 0.83243385800581 15.999 > 21 24 O 0.59969317129531 0.78989864371710 0.83243385800581 15.999 > 21 25 O 0.40030682870469 0.78989864371710 0.41756614199419 15.999 > 25 26 O 0.90030682870469 0.78989864371710 0.41756614199419 15.999 > 25 27 O 0.40030682870469 0.78989864371710 0.91756614199419 15.999 > 25 28 O 0.90030682870469 0.78989864371710 0.91756614199419 15.999 > 25 29 O 0.34969317129531 0.71010135628290 0.16756614199419 15.999 > 29 30 O 0.84969317129531 0.71010135628290 0.16756614199419 15.999 > 29 31 O 0.34969317129531 0.71010135628290 0.66756614199419 15.999 > 29 32 O 0.84969317129531 0.71010135628290 0.66756614199419 15.999 > 29 33 O 0.34969317129531 0.28989864371710 0.41756614199419 15.999 > 33 34 O 0.84969317129531 0.28989864371710 0.41756614199419 15.999 > 33 35 O 0.34969317129531 0.28989864371710 0.91756614199419 15.999 > 33 36 O 0.84969317129531 0.28989864371710 0.91756614199419 15.999 > 33 37 O 0.40030682870469 0.21010135628290 0.16756614199419 15.999 > 37 38 O 0.90030682870469 0.21010135628290 0.16756614199419 15.999 > 37 39 O 0.40030682870469 0.21010135628290 0.66756614199419 15.999 > 37 40 O 0.90030682870469 0.21010135628290 0.66756614199419 15.999 > 37 41 O 0.09969317129531 0.21010135628290 0.08243385800581 15.999 > 41 42 O 0.59969317129531 0.21010135628290 0.08243385800581 15.999 > 41 43 O 0.09969317129531 0.21010135628290 0.58243385800581 15.999 > 41 44 O 0.59969317129531 0.21010135628290 0.58243385800581 15.999 > 41 45 O 0.15030682870469 0.28989864371710 0.33243385800581 15.999 > 45 46 O 0.65030682870469 0.28989864371710 0.33243385800581 15.999 > 45 47 O 0.15030682870469 0.28989864371710 0.83243385800581 15.999 > 45 48 O 0.65030682870469 0.28989864371710 0.83243385800581 15.999 > 45 49 O 0.17215960661567 0.43464075308961 0.02219694977506 15.999 > 49 50 O 0.67215960661567 0.43464075308961 0.02219694977506 15.999 > 49 51 O 0.17215960661567 0.43464075308961 0.52219694977506 15.999 > 49 52 O 0.67215960661567 0.43464075308961 0.52219694977506 15.999 > 49 53 O 0.07784039338433 0.06535924691039 0.27219694977506 15.999 > 53 54 O 0.57784039338433 0.06535924691039 0.27219694977506 15.999 > 53 55 O 0.07784039338433 0.06535924691039 0.77219694977506 15.999 > 53 56 O 0.57784039338433 0.06535924691039 0.77219694977506 15.999 > 53 57 O 0.42215960661567 0.06535924691039 0.47780305022494 15.999 > 57 58 O 0.92215960661567 0.06535924691039 0.47780305022494 15.999 > 57 59 O 0.42215960661567 0.06535924691039 0.97780305022494 15.999 > 57 60 O 0.92215960661567 0.06535924691039 0.97780305022494 15.999 > 57 61 O 0.32784039338433 0.43464075308961 0.22780305022494 15.999 > 61 62 O 0.82784039338433 0.43464075308961 0.22780305022494 15.999 > 61 63 O 0.32784039338433 0.43464075308961 0.72780305022494 15.999 > 61 64 O 0.82784039338433 0.43464075308961 0.72780305022494 15.999 > 61 65 O 0.32784039338433 0.56535924691039 0.47780305022494 15.999 > 65 66 O 0.82784039338433 0.56535924691039 0.47780305022494 15.999 > 65 67 O 0.32784039338433 0.56535924691039 0.97780305022494 15.999 > 65 68 O 0.82784039338433 0.56535924691039 0.97780305022494 15.999 > 65 69 O 0.42215960661567 0.93464075308961 0.22780305022494 15.999 > 69 70 O 0.92215960661567 0.93464075308961 0.22780305022494 15.999 > 69 71 O 0.42215960661567 0.93464075308961 0.72780305022494 15.999 > 69 72 O 0.92215960661567 0.93464075308961 0.72780305022494 15.999 > 69 73 O 0.07784039338433 0.93464075308961 0.02219694977506 15.999 > 73 74 O 0.57784039338433 0.93464075308961 0.02219694977506 15.999 > 73 75 O 0.07784039338433 0.93464075308961 0.52219694977506 15.999 > 73 76 O 0.57784039338433 0.93464075308961 0.52219694977506 15.999 > 73 77 O 0.17215960661567 0.56535924691039 0.27219694977506 15.999 > 77 78 O 0.67215960661567 0.56535924691039 0.27219694977506 15.999 > 77 79 O 0.17215960661567 0.56535924691039 0.77219694977506 15.999 > 77 80 O 0.67215960661567 0.56535924691039 0.77219694977506 15.999 > 77 81 Zn 0.00000000000000 0.93922763826781 0.37500000000000 65.380 > 81 82 Zn 0.50000000000000 0.93922763826781 0.37500000000000 65.380 > 81 83 Zn 0.00000000000000 0.93922763826781 0.87500000000000 65.380 > 81 84 Zn 0.50000000000000 0.93922763826781 0.87500000000000 65.380 > 81 85 Zn 0.25000000000000 0.56077236173219 0.12500000000000 65.380 > 85 86 Zn 0.75000000000000 0.56077236173219 0.12500000000000 65.380 > 85 87 Zn 0.25000000000000 0.56077236173219 0.62500000000000 65.380 > 85 88 Zn 0.75000000000000 0.56077236173219 0.62500000000000 65.380 > 85 89 Zn 0.00000000000000 0.06077236173219 0.12500000000000 65.380 > 89 90 Zn 0.50000000000000 0.06077236173219 0.12500000000000 65.380 > 89 91 Zn 0.00000000000000 0.06077236173219 0.62500000000000 65.380 > 89 92 Zn 0.50000000000000 0.06077236173219 0.62500000000000 65.380 > 89 93 Zn 0.25000000000000 0.43922763826781 0.37500000000000 65.380 > 93 94 Zn 0.75000000000000 0.43922763826781 0.37500000000000 65.380 > 93 95 Zn 0.25000000000000 0.43922763826781 0.87500000000000 65.380 > 93 96 Zn 0.75000000000000 0.43922763826781 0.87500000000000 65.380 > 93 97 Se 0.18328427387011 0.84525703533669 0.01430556082328 78.960 > 97 98 Se 0.68328427387011 0.84525703533669 0.01430556082328 78.960 > 97 99 Se 0.18328427387011 0.84525703533669 0.51430556082328 78.960 > 97 100 Se 0.68328427387011 0.84525703533669 0.51430556082328 78.960 > 97 101 Se 0.06671572612989 0.65474296466331 0.26430556082328 78.960 > 101 102 Se 0.56671572612989 0.65474296466331 0.26430556082328 78.960 > 101 103 Se 0.06671572612989 0.65474296466331 0.76430556082328 78.960 > 101 104 Se 0.56671572612989 0.65474296466331 0.76430556082328 78.960 > 101 105 Se 0.43328427387011 0.65474296466331 0.48569443917672 78.960 > 105 106 Se 0.93328427387011 0.65474296466331 0.48569443917672 78.960 > 105 107 Se 0.43328427387011 0.65474296466331 0.98569443917672 78.960 > 105 108 Se 0.93328427387011 0.65474296466331 0.98569443917672 78.960 > 105 109 Se 0.31671572612989 0.84525703533669 0.23569443917672 78.960 > 109 110 Se 0.81671572612989 0.84525703533669 0.23569443917672 78.960 > 109 111 Se 0.31671572612989 0.84525703533669 0.73569443917672 78.960 > 109 112 Se 0.81671572612989 0.84525703533669 0.73569443917672 78.960 > 109 113 Se 0.31671572612989 0.15474296466331 0.48569443917672 78.960 > 113 114 Se 0.81671572612989 0.15474296466331 0.48569443917672 78.960 > 113 115 Se 0.31671572612989 0.15474296466331 0.98569443917672 78.960 > 113 116 Se 0.81671572612989 0.15474296466331 0.98569443917672 78.960 > 113 117 Se 0.43328427387011 0.34525703533669 0.23569443917672 78.960 > 117 118 Se 0.93328427387011 0.34525703533669 0.23569443917672 78.960 > 117 119 Se 0.43328427387011 0.34525703533669 0.73569443917672 78.960 > 117 120 Se 0.93328427387011 0.34525703533669 0.73569443917672 78.960 > 117 121 Se 0.06671572612989 0.34525703533669 0.01430556082328 78.960 > 121 122 Se 0.56671572612989 0.34525703533669 0.01430556082328 78.960 > 121 123 Se 0.06671572612989 0.34525703533669 0.51430556082328 78.960 > 121 124 Se 0.56671572612989 0.34525703533669 0.51430556082328 78.960 > 121 125 Se 0.18328427387011 0.15474296466331 0.26430556082328 78.960 > 125 126 Se 0.68328427387011 0.15474296466331 0.26430556082328 78.960 > 125 127 Se 0.18328427387011 0.15474296466331 0.76430556082328 78.960 > 125 128 Se 0.68328427387011 0.15474296466331 0.76430556082328 78.960 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4441696 0.0000000 0.0000000 0.0000000 4.3305153 0.0000000 0.0000000 0.0000000 4.3903696 -------------------------- Born effective charges -------------------------- 1 O -2.0975466 0.0000000 2.5086578 0.0000000 -1.4791457 0.0000000 1.0445960 0.0000000 -2.8284936 2 O -2.0975466 0.0000000 -2.5086578 0.0000000 -1.4791457 0.0000000 -1.0445960 0.0000000 -2.8284936 3 O -2.0975466 0.0000000 2.5086578 0.0000000 -1.4791457 0.0000000 1.0445960 0.0000000 -2.8284936 4 O -2.0975466 0.0000000 -2.5086578 0.0000000 -1.4791457 0.0000000 -1.0445960 0.0000000 -2.8284936 5 O -1.2857566 -0.2346194 0.2612865 -0.4624847 -2.1896943 1.0934054 0.3514468 0.8000020 -1.8035701 6 O -1.2857566 -0.2346194 -0.2612865 -0.4624847 -2.1896943 -1.0934054 -0.3514468 -0.8000020 -1.8035701 7 O -1.2857566 0.2346194 -0.2612865 0.4624847 -2.1896943 1.0934054 -0.3514468 0.8000020 -1.8035701 8 O -1.2857566 0.2346194 0.2612865 0.4624847 -2.1896943 -1.0934054 0.3514468 -0.8000020 -1.8035701 9 O -1.2857566 -0.2346194 0.2612865 -0.4624847 -2.1896943 1.0934054 0.3514468 0.8000020 -1.8035701 10 O -1.2857566 -0.2346194 -0.2612865 -0.4624847 -2.1896943 -1.0934054 -0.3514468 -0.8000020 -1.8035701 11 O -1.2857566 0.2346194 -0.2612865 0.4624847 -2.1896943 1.0934054 -0.3514468 0.8000020 -1.8035701 12 O -1.2857566 0.2346194 0.2612865 0.4624847 -2.1896943 -1.0934054 0.3514468 -0.8000020 -1.8035701 13 O -2.3646466 -0.8523901 0.0327840 -1.2381132 -1.8070991 -0.2979692 0.7311651 0.1667380 -1.2160627 14 O -2.3646466 -0.8523901 -0.0327840 -1.2381132 -1.8070991 0.2979692 -0.7311651 -0.1667380 -1.2160627 15 O -2.3646466 0.8523901 -0.0327840 1.2381132 -1.8070991 -0.2979692 -0.7311651 0.1667380 -1.2160627 16 O -2.3646466 0.8523901 0.0327840 1.2381132 -1.8070991 0.2979692 0.7311651 -0.1667380 -1.2160627 17 O -2.3646466 -0.8523901 0.0327840 -1.2381132 -1.8070991 -0.2979692 0.7311651 0.1667380 -1.2160627 18 O -2.3646466 -0.8523901 -0.0327840 -1.2381132 -1.8070991 0.2979692 -0.7311651 -0.1667380 -1.2160627 19 O -2.3646466 0.8523901 -0.0327840 1.2381132 -1.8070991 -0.2979692 -0.7311651 0.1667380 -1.2160627 20 O -2.3646466 0.8523901 0.0327840 1.2381132 -1.8070991 0.2979692 0.7311651 -0.1667380 -1.2160627 21 Zn 2.7209107 0.0000000 0.1141773 0.0000000 2.9491173 0.0000000 0.3537490 0.0000000 2.3877927 22 Zn 2.7209107 0.0000000 -0.1141773 0.0000000 2.9491173 0.0000000 -0.3537490 0.0000000 2.3877927 23 Zn 2.7209107 0.0000000 0.1141773 0.0000000 2.9491173 0.0000000 0.3537490 0.0000000 2.3877927 24 Zn 2.7209107 0.0000000 -0.1141773 0.0000000 2.9491173 0.0000000 -0.3537490 0.0000000 2.3877927 25 Se 3.3387212 0.6614503 1.4379343 0.0541594 3.2618075 0.1901585 1.2103111 -0.0277507 3.2399832 26 Se 3.3387212 0.6614503 -1.4379343 0.0541594 3.2618075 -0.1901585 -1.2103111 0.0277507 3.2399832 27 Se 3.3387212 -0.6614503 -1.4379343 -0.0541594 3.2618075 0.1901585 -1.2103111 -0.0277507 3.2399832 28 Se 3.3387212 -0.6614503 1.4379343 -0.0541594 3.2618075 -0.1901585 1.2103111 0.0277507 3.2399832 29 Se 3.3387212 0.6614503 1.4379343 0.0541594 3.2618075 0.1901585 1.2103111 -0.0277507 3.2399832 30 Se 3.3387212 0.6614503 -1.4379343 0.0541594 3.2618075 -0.1901585 -1.2103111 0.0277507 3.2399832 31 Se 3.3387212 -0.6614503 -1.4379343 -0.0541594 3.2618075 0.1901585 -1.2103111 -0.0277507 3.2399832 32 Se 3.3387212 -0.6614503 1.4379343 -0.0541594 3.2618075 -0.1901585 1.2103111 0.0277507 3.2399832 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) --------------------------- 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 ... [ 7 5 8 ] 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: 0.55, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 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 1.385 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.604 ( 0.000 0.000 0.000) 0.000 3.676 ( 0.000 0.000 0.000) 0.000 3.756 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 4.006 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.563 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.841 ( 0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.141 ( 0.000 0.000 0.000) 0.000 5.240 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.431 ( 0.000 0.000 0.000) 0.000 5.461 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.676 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.306 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 7.055 ( 0.000 0.000 0.000) 0.000 7.206 ( 0.000 0.000 0.000) 0.000 7.877 ( 0.000 0.000 0.000) 0.000 7.934 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.581 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 9.102 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.902 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 0.000) 0.000 10.675 ( 0.000 0.000 0.000) 0.000 10.706 ( 0.000 0.000 0.000) 0.000 10.882 ( 0.000 0.000 0.000) 0.000 11.351 ( 0.000 0.000 0.000) 0.000 11.863 ( 0.000 0.000 0.000) 0.000 12.310 ( 0.000 0.000 0.000) 0.000 12.336 ( 0.000 0.000 0.000) 0.000 12.369 ( 0.000 0.000 0.000) 0.000 12.576 ( 0.000 0.000 0.000) 0.000 12.687 ( 0.000 0.000 0.000) 0.000 12.833 ( 0.000 0.000 0.000) 0.000 12.893 ( 0.000 0.000 0.000) 0.000 13.062 ( 0.000 0.000 0.000) 0.000 13.295 ( 0.000 0.000 0.000) 0.000 14.242 ( 0.000 0.000 0.000) 0.000 14.516 ( 0.000 0.000 0.000) 0.000 14.605 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 14.869 ( 0.000 0.000 0.000) 0.000 15.072 ( 0.000 0.000 0.000) 0.000 15.761 ( 0.000 0.000 0.000) 0.000 15.984 ( 0.000 0.000 0.000) 0.000 20.479 ( 0.000 0.000 0.000) 0.000 20.589 ( 0.000 0.000 0.000) 0.000 20.896 ( 0.000 0.000 0.000) 0.000 21.344 ( 0.000 0.000 0.000) 0.000 21.858 ( 0.000 0.000 0.000) 0.000 22.004 ( 0.000 0.000 0.000) 0.000 22.187 ( 0.000 0.000 0.000) 0.000 22.783 ( 0.000 0.000 0.000) 0.000 22.999 ( 0.000 0.000 0.000) 0.000 23.425 ( 0.000 0.000 0.000) 0.000 23.826 ( 0.000 0.000 0.000) 0.000 24.324 ( 0.000 0.000 0.000) 0.000 24.384 ( 0.000 0.000 0.000) 0.000 24.398 ( 0.000 0.000 0.000) 0.000 24.430 ( 0.000 0.000 0.000) 0.000 25.508 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 25.361 0.000 0.000) 25.361 0.594 ( 26.000 0.000 0.000) 26.000 0.951 ( 43.231 0.000 0.000) 43.231 1.601 ( 18.455 0.000 0.000) 18.455 1.770 ( 15.927 0.000 0.000) 15.927 2.065 ( 4.787 0.000 0.000) 4.787 2.135 ( 4.089 0.000 0.000) 4.089 2.512 ( -2.060 0.000 0.000) 2.060 2.661 ( -1.721 0.000 0.000) 1.721 2.684 ( -6.647 0.000 0.000) 6.647 3.062 ( -13.282 0.000 0.000) 13.282 3.144 ( -10.422 0.000 0.000) 10.422 3.173 ( -7.740 0.000 0.000) 7.740 3.258 ( -1.508 0.000 0.000) 1.508 3.458 ( 3.850 0.000 0.000) 3.850 3.550 ( -0.272 0.000 0.000) 0.272 3.627 ( 1.023 0.000 0.000) 1.023 3.706 ( 0.133 0.000 0.000) 0.133 3.711 ( 10.966 0.000 0.000) 10.966 3.731 ( 5.592 0.000 0.000) 5.592 3.989 ( 3.323 0.000 0.000) 3.323 4.012 ( 0.677 0.000 0.000) 0.677 4.166 ( -3.677 0.000 0.000) 3.677 4.288 ( -14.195 0.000 0.000) 14.195 4.326 ( 6.610 0.000 0.000) 6.610 4.426 ( 10.055 0.000 0.000) 10.055 4.618 ( -0.707 0.000 0.000) 0.707 4.646 ( -12.798 0.000 0.000) 12.798 4.872 ( 3.317 0.000 0.000) 3.317 4.990 ( -1.998 0.000 0.000) 1.998 5.054 ( -8.001 0.000 0.000) 8.001 5.087 ( -4.139 0.000 0.000) 4.139 5.121 ( 1.236 0.000 0.000) 1.236 5.145 ( 20.628 0.000 0.000) 20.628 5.365 ( -5.822 0.000 0.000) 5.822 5.424 ( -3.128 0.000 0.000) 3.128 5.470 ( 9.214 0.000 0.000) 9.214 5.500 ( 6.572 0.000 0.000) 6.572 5.542 ( -8.245 0.000 0.000) 8.245 5.687 ( -2.360 0.000 0.000) 2.360 6.142 ( -5.077 0.000 0.000) 5.077 6.265 ( 0.540 0.000 0.000) 0.540 6.339 ( -7.286 0.000 0.000) 7.286 6.428 ( -1.981 0.000 0.000) 1.981 6.639 ( -4.853 0.000 0.000) 4.853 6.796 ( -7.937 0.000 0.000) 7.937 6.995 ( -3.665 0.000 0.000) 3.665 7.246 ( 2.941 0.000 0.000) 2.941 7.866 ( -0.744 0.000 0.000) 0.744 7.963 ( 2.733 0.000 0.000) 2.733 8.356 ( -8.864 0.000 0.000) 8.864 8.552 ( -2.715 0.000 0.000) 2.715 8.876 ( 11.419 0.000 0.000) 11.419 9.198 ( 8.340 0.000 0.000) 8.340 9.304 ( 2.377 0.000 0.000) 2.377 9.890 ( -1.148 0.000 0.000) 1.148 10.231 ( 4.486 0.000 0.000) 4.486 10.691 ( 1.579 0.000 0.000) 1.579 10.855 ( 13.531 0.000 0.000) 13.531 10.892 ( 0.765 0.000 0.000) 0.765 11.270 ( -7.282 0.000 0.000) 7.282 11.468 ( 2.212 0.000 0.000) 2.212 11.884 ( 1.053 0.000 0.000) 1.053 12.258 ( -2.915 0.000 0.000) 2.915 12.290 ( -4.254 0.000 0.000) 4.254 12.653 ( 5.735 0.000 0.000) 5.735 12.711 ( 2.195 0.000 0.000) 2.195 12.811 ( -1.550 0.000 0.000) 1.550 12.815 ( -6.622 0.000 0.000) 6.622 12.921 ( -5.542 0.000 0.000) 5.542 13.038 ( -2.430 0.000 0.000) 2.430 13.234 ( -6.186 0.000 0.000) 6.186 14.532 ( 1.451 0.000 0.000) 1.451 14.611 ( 0.541 0.000 0.000) 0.541 14.652 ( 0.904 0.000 0.000) 0.904 14.848 ( -1.538 0.000 0.000) 1.538 15.138 ( 5.608 0.000 0.000) 5.608 15.757 ( -0.610 0.000 0.000) 0.610 16.001 ( 1.598 0.000 0.000) 1.598 16.426 ( -3.116 0.000 0.000) 3.116 20.431 ( -3.915 0.000 0.000) 3.915 20.648 ( 5.475 0.000 0.000) 5.475 21.136 ( -15.732 0.000 0.000) 15.732 21.786 ( -6.605 0.000 0.000) 6.605 22.159 ( 10.900 0.000 0.000) 10.900 22.239 ( 4.470 0.000 0.000) 4.470 22.303 ( 1.976 0.000 0.000) 1.976 22.794 ( 1.264 0.000 0.000) 1.264 22.938 ( -5.559 0.000 0.000) 5.559 23.378 ( -4.259 0.000 0.000) 4.259 24.298 ( 2.290 0.000 0.000) 2.290 24.342 ( 1.626 0.000 0.000) 1.626 24.412 ( 1.172 0.000 0.000) 1.172 24.432 ( 3.747 0.000 0.000) 3.747 24.455 ( 2.092 0.000 0.000) 2.092 25.425 ( -7.648 0.000 0.000) 7.648 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 25.248 0.000 0.000) 25.248 1.084 ( 21.305 0.000 0.000) 21.305 1.738 ( 28.750 0.000 0.000) 28.750 2.050 ( 22.211 0.000 0.000) 22.211 2.173 ( 3.510 0.000 0.000) 3.510 2.190 ( 20.887 0.000 0.000) 20.887 2.245 ( 1.800 0.000 0.000) 1.800 2.451 ( -3.430 0.000 0.000) 3.430 2.498 ( -3.042 0.000 0.000) 3.042 2.624 ( -0.539 0.000 0.000) 0.539 2.885 ( -4.075 0.000 0.000) 4.075 2.937 ( -7.938 0.000 0.000) 7.938 3.001 ( -7.456 0.000 0.000) 7.456 3.133 ( -10.309 0.000 0.000) 10.309 3.522 ( 2.727 0.000 0.000) 2.727 3.550 ( -0.277 0.000 0.000) 0.277 3.586 ( -4.826 0.000 0.000) 4.826 3.738 ( 0.124 0.000 0.000) 0.124 3.818 ( -2.919 0.000 0.000) 2.919 3.901 ( 9.715 0.000 0.000) 9.715 3.966 ( -3.984 0.000 0.000) 3.984 4.007 ( -3.651 0.000 0.000) 3.651 4.026 ( -7.103 0.000 0.000) 7.103 4.137 ( 0.017 0.000 0.000) 0.017 4.402 ( -7.433 0.000 0.000) 7.433 4.565 ( -4.954 0.000 0.000) 4.954 4.567 ( 15.795 0.000 0.000) 15.795 4.610 ( 4.978 0.000 0.000) 4.978 4.948 ( -0.665 0.000 0.000) 0.665 4.957 ( 2.150 0.000 0.000) 2.150 4.975 ( 2.050 0.000 0.000) 2.050 4.991 ( -4.339 0.000 0.000) 4.339 5.190 ( -8.949 0.000 0.000) 8.949 5.253 ( 12.268 0.000 0.000) 12.268 5.337 ( -5.041 0.000 0.000) 5.041 5.376 ( -5.424 0.000 0.000) 5.424 5.546 ( -2.955 0.000 0.000) 2.955 5.555 ( 16.348 0.000 0.000) 16.348 5.592 ( -5.614 0.000 0.000) 5.614 5.661 ( 8.498 0.000 0.000) 8.498 5.985 ( -9.452 0.000 0.000) 9.452 6.176 ( -7.406 0.000 0.000) 7.406 6.291 ( -10.527 0.000 0.000) 10.527 6.300 ( 2.977 0.000 0.000) 2.977 6.445 ( -14.494 0.000 0.000) 14.494 6.621 ( -7.060 0.000 0.000) 7.060 6.993 ( 3.881 0.000 0.000) 3.881 7.287 ( 0.193 0.000 0.000) 0.193 7.867 ( 1.317 0.000 0.000) 1.317 8.049 ( 5.515 0.000 0.000) 5.515 8.185 ( -7.411 0.000 0.000) 7.411 8.471 ( -5.014 0.000 0.000) 5.014 9.105 ( 9.864 0.000 0.000) 9.864 9.354 ( 1.779 0.000 0.000) 1.779 9.407 ( 10.603 0.000 0.000) 10.603 9.850 ( -2.823 0.000 0.000) 2.823 10.367 ( 8.361 0.000 0.000) 8.361 10.741 ( 3.156 0.000 0.000) 3.156 10.903 ( -0.056 0.000 0.000) 0.056 11.070 ( -11.192 0.000 0.000) 11.192 11.228 ( 20.817 0.000 0.000) 20.817 11.535 ( 4.079 0.000 0.000) 4.079 11.862 ( -3.553 0.000 0.000) 3.553 12.166 ( -7.323 0.000 0.000) 7.323 12.256 ( 3.257 0.000 0.000) 3.257 12.662 ( -6.770 0.000 0.000) 6.770 12.751 ( -4.595 0.000 0.000) 4.595 12.768 ( 4.589 0.000 0.000) 4.589 12.782 ( -1.341 0.000 0.000) 1.341 12.791 ( -0.069 0.000 0.000) 0.069 12.966 ( -4.136 0.000 0.000) 4.136 13.030 ( -12.933 0.000 0.000) 12.933 14.569 ( 1.930 0.000 0.000) 1.930 14.623 ( 0.446 0.000 0.000) 0.446 14.687 ( 2.316 0.000 0.000) 2.316 14.816 ( -1.462 0.000 0.000) 1.462 15.284 ( 7.985 0.000 0.000) 7.985 15.720 ( -3.241 0.000 0.000) 3.241 16.050 ( 3.003 0.000 0.000) 3.003 16.338 ( -5.012 0.000 0.000) 5.012 20.357 ( -2.141 0.000 0.000) 2.141 20.796 ( -15.391 0.000 0.000) 15.391 20.812 ( 10.005 0.000 0.000) 10.005 21.595 ( -11.250 0.000 0.000) 11.250 22.346 ( 5.055 0.000 0.000) 5.055 22.359 ( 7.164 0.000 0.000) 7.164 22.364 ( 3.898 0.000 0.000) 3.898 22.788 ( -8.157 0.000 0.000) 8.157 22.846 ( 3.931 0.000 0.000) 3.931 23.260 ( -6.679 0.000 0.000) 6.679 24.384 ( 2.088 0.000 0.000) 2.088 24.391 ( 6.406 0.000 0.000) 6.406 24.436 ( 0.872 0.000 0.000) 0.872 24.503 ( 2.177 0.000 0.000) 2.177 24.518 ( 4.430 0.000 0.000) 4.430 25.206 ( -12.698 0.000 0.000) 12.698 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 19.642 0.000 0.000) 19.642 1.579 ( 23.766 0.000 0.000) 23.766 1.894 ( -14.926 0.000 0.000) 14.926 2.026 ( -17.265 0.000 0.000) 17.265 2.231 ( 8.211 0.000 0.000) 8.211 2.380 ( -3.623 0.000 0.000) 3.623 2.461 ( 15.161 0.000 0.000) 15.161 2.508 ( 8.233 0.000 0.000) 8.233 2.794 ( 18.347 0.000 0.000) 18.347 2.800 ( 13.754 0.000 0.000) 13.754 2.809 ( -5.690 0.000 0.000) 5.690 2.846 ( -0.131 0.000 0.000) 0.131 2.872 ( -12.626 0.000 0.000) 12.626 2.891 ( -1.963 0.000 0.000) 1.963 3.510 ( -0.949 0.000 0.000) 0.949 3.528 ( -1.570 0.000 0.000) 1.570 3.582 ( -13.366 0.000 0.000) 13.366 3.584 ( -12.056 0.000 0.000) 12.056 3.605 ( 6.370 0.000 0.000) 6.370 3.810 ( -12.120 0.000 0.000) 12.120 3.942 ( 1.284 0.000 0.000) 1.284 3.965 ( -0.905 0.000 0.000) 0.905 4.113 ( 9.768 0.000 0.000) 9.768 4.200 ( 2.928 0.000 0.000) 2.928 4.352 ( -0.452 0.000 0.000) 0.452 4.416 ( -7.921 0.000 0.000) 7.921 4.702 ( 6.067 0.000 0.000) 6.067 4.870 ( -8.492 0.000 0.000) 8.492 4.927 ( 16.381 0.000 0.000) 16.381 4.939 ( 0.293 0.000 0.000) 0.293 5.015 ( -6.730 0.000 0.000) 6.730 5.018 ( 7.341 0.000 0.000) 7.341 5.069 ( 4.009 0.000 0.000) 4.009 5.200 ( -8.278 0.000 0.000) 8.278 5.318 ( -3.443 0.000 0.000) 3.443 5.379 ( -10.544 0.000 0.000) 10.544 5.563 ( 5.663 0.000 0.000) 5.663 5.610 ( 17.687 0.000 0.000) 17.687 5.780 ( -7.810 0.000 0.000) 7.810 5.820 ( 8.263 0.000 0.000) 8.263 5.821 ( 6.466 0.000 0.000) 6.466 6.042 ( -5.085 0.000 0.000) 5.085 6.067 ( -8.739 0.000 0.000) 8.739 6.071 ( -20.114 0.000 0.000) 20.114 6.385 ( 4.782 0.000 0.000) 4.782 6.493 ( -5.543 0.000 0.000) 5.543 7.116 ( 6.739 0.000 0.000) 6.739 7.241 ( -4.514 0.000 0.000) 4.514 7.928 ( 4.408 0.000 0.000) 4.408 8.042 ( -6.249 0.000 0.000) 6.249 8.188 ( 7.424 0.000 0.000) 7.424 8.344 ( -6.997 0.000 0.000) 6.997 9.275 ( 6.157 0.000 0.000) 6.157 9.358 ( -1.725 0.000 0.000) 1.725 9.614 ( 8.752 0.000 0.000) 8.752 9.764 ( -5.550 0.000 0.000) 5.550 10.573 ( 11.086 0.000 0.000) 11.086 10.816 ( 3.652 0.000 0.000) 3.652 10.821 ( -12.212 0.000 0.000) 12.212 10.880 ( -2.198 0.000 0.000) 2.198 11.636 ( 5.422 0.000 0.000) 5.422 11.665 ( 19.154 0.000 0.000) 19.154 11.756 ( -5.826 0.000 0.000) 5.826 11.981 ( -11.048 0.000 0.000) 11.048 12.378 ( 7.752 0.000 0.000) 7.752 12.563 ( -9.523 0.000 0.000) 9.523 12.589 ( 1.209 0.000 0.000) 1.209 12.741 ( -12.426 0.000 0.000) 12.426 12.814 ( 2.090 0.000 0.000) 2.090 12.825 ( 1.690 0.000 0.000) 1.690 12.831 ( 1.334 0.000 0.000) 1.334 12.879 ( -3.851 0.000 0.000) 3.851 14.606 ( 1.402 0.000 0.000) 1.402 14.625 ( -0.379 0.000 0.000) 0.379 14.739 ( 2.441 0.000 0.000) 2.441 14.784 ( -1.771 0.000 0.000) 1.771 15.458 ( 8.291 0.000 0.000) 8.291 15.617 ( -6.510 0.000 0.000) 6.510 16.127 ( 4.292 0.000 0.000) 4.292 16.228 ( -5.229 0.000 0.000) 5.229 20.371 ( 3.827 0.000 0.000) 3.827 20.521 ( -10.423 0.000 0.000) 10.423 21.055 ( 12.796 0.000 0.000) 12.796 21.333 ( -13.317 0.000 0.000) 13.317 22.431 ( 2.677 0.000 0.000) 2.677 22.447 ( 1.412 0.000 0.000) 1.412 22.469 ( 6.052 0.000 0.000) 6.052 22.616 ( -7.871 0.000 0.000) 7.871 22.960 ( 6.651 0.000 0.000) 6.651 23.110 ( -7.408 0.000 0.000) 7.408 24.423 ( 1.491 0.000 0.000) 1.491 24.442 ( -0.329 0.000 0.000) 0.329 24.511 ( 3.231 0.000 0.000) 3.231 24.534 ( 0.479 0.000 0.000) 0.479 24.657 ( 10.210 0.000 0.000) 10.210 24.921 ( -13.860 0.000 0.000) 13.860 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.20 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( 0.000 24.139 0.000) 24.139 0.463 ( 0.000 23.693 0.000) 23.693 0.944 ( 0.000 47.987 0.000) 47.987 1.393 ( 0.000 -0.116 0.000) 0.116 1.604 ( 0.000 -1.945 0.000) 1.945 1.868 ( 0.000 -9.119 0.000) 9.119 1.909 ( 0.000 -8.341 0.000) 8.341 2.411 ( 0.000 -7.470 0.000) 7.470 2.526 ( 0.000 -7.164 0.000) 7.164 2.793 ( 0.000 7.190 0.000) 7.190 2.832 ( 0.000 8.843 0.000) 8.843 3.027 ( 0.000 -20.909 0.000) 20.909 3.303 ( 0.000 1.945 0.000) 1.945 3.347 ( 0.000 -1.371 0.000) 1.371 3.359 ( 0.000 3.249 0.000) 3.249 3.436 ( 0.000 -3.060 0.000) 3.060 3.491 ( 0.000 -4.102 0.000) 4.102 3.627 ( 0.000 -4.981 0.000) 4.981 3.799 ( 0.000 6.980 0.000) 6.980 3.935 ( 0.000 -0.243 0.000) 0.243 3.994 ( 0.000 6.460 0.000) 6.460 4.079 ( 0.000 16.278 0.000) 16.278 4.241 ( 0.000 -2.701 0.000) 2.701 4.275 ( 0.000 -2.694 0.000) 2.694 4.313 ( 0.000 7.342 0.000) 7.342 4.566 ( 0.000 -11.363 0.000) 11.363 4.647 ( 0.000 7.075 0.000) 7.075 4.727 ( 0.000 0.915 0.000) 0.915 4.764 ( 0.000 -5.158 0.000) 5.158 4.849 ( 0.000 0.897 0.000) 0.897 5.086 ( 0.000 0.720 0.000) 0.720 5.097 ( 0.000 -15.257 0.000) 15.257 5.125 ( 0.000 1.373 0.000) 1.373 5.251 ( 0.000 0.938 0.000) 0.938 5.255 ( 0.000 -8.026 0.000) 8.026 5.270 ( 0.000 1.644 0.000) 1.644 5.469 ( 0.000 1.237 0.000) 1.237 5.612 ( 0.000 8.857 0.000) 8.857 5.649 ( 0.000 -2.700 0.000) 2.700 5.734 ( 0.000 5.373 0.000) 5.373 6.242 ( 0.000 -2.142 0.000) 2.142 6.256 ( 0.000 -4.688 0.000) 4.688 6.304 ( 0.000 10.558 0.000) 10.558 6.510 ( 0.000 7.797 0.000) 7.797 6.858 ( 0.000 -3.046 0.000) 3.046 7.066 ( 0.000 1.247 0.000) 1.247 7.134 ( 0.000 -7.274 0.000) 7.274 7.355 ( 0.000 -6.305 0.000) 6.305 7.881 ( 0.000 0.370 0.000) 0.370 7.926 ( 0.000 -0.780 0.000) 0.780 8.463 ( 0.000 1.768 0.000) 1.768 8.573 ( 0.000 -0.903 0.000) 0.903 8.723 ( 0.000 2.625 0.000) 2.625 9.009 ( 0.000 -6.574 0.000) 6.574 9.392 ( 0.000 8.998 0.000) 8.998 9.897 ( 0.000 -6.670 0.000) 6.670 10.262 ( 0.000 6.518 0.000) 6.518 10.420 ( 0.000 1.802 0.000) 1.802 10.639 ( 0.000 -3.485 0.000) 3.485 10.658 ( 0.000 -4.703 0.000) 4.703 10.929 ( 0.000 4.696 0.000) 4.696 11.309 ( 0.000 -4.299 0.000) 4.299 11.930 ( 0.000 6.561 0.000) 6.561 12.325 ( 0.000 1.493 0.000) 1.493 12.377 ( 0.000 0.633 0.000) 0.633 12.402 ( 0.000 -4.143 0.000) 4.143 12.571 ( 0.000 -0.421 0.000) 0.421 12.624 ( 0.000 -4.162 0.000) 4.162 12.904 ( 0.000 4.276 0.000) 4.276 12.925 ( 0.000 3.159 0.000) 3.159 13.054 ( 0.000 -0.863 0.000) 0.863 13.241 ( 0.000 -5.164 0.000) 5.164 14.307 ( 0.000 6.417 0.000) 6.417 14.525 ( 0.000 0.903 0.000) 0.903 14.597 ( 0.000 -0.832 0.000) 0.832 14.807 ( 0.000 -6.217 0.000) 6.217 15.078 ( 0.000 0.643 0.000) 0.643 15.137 ( 0.000 -0.777 0.000) 0.777 15.790 ( 0.000 2.853 0.000) 2.853 15.975 ( 0.000 -1.154 0.000) 1.154 20.555 ( 0.000 -1.947 0.000) 1.947 20.827 ( 0.000 -6.564 0.000) 6.564 21.500 ( 0.000 14.269 0.000) 14.269 21.886 ( 0.000 2.681 0.000) 2.681 22.003 ( 0.000 -0.169 0.000) 0.169 22.172 ( 0.000 -2.311 0.000) 2.311 22.606 ( 0.000 0.413 0.000) 0.413 22.751 ( 0.000 -3.026 0.000) 3.026 23.001 ( 0.000 0.279 0.000) 0.279 23.290 ( 0.000 -10.648 0.000) 10.648 23.942 ( 0.000 9.022 0.000) 9.022 24.301 ( 0.000 -2.410 0.000) 2.410 24.390 ( 0.000 0.580 0.000) 0.580 24.428 ( 0.000 -0.293 0.000) 0.293 25.508 ( 0.000 0.025 0.000) 0.025 25.511 ( 0.000 -0.048 0.000) 0.048 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.20 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 18.624 14.931 0.000) 23.871 0.736 ( 19.294 13.124 0.000) 23.334 1.306 ( 27.224 28.912 0.000) 39.713 1.603 ( 18.135 0.805 0.000) 18.153 1.754 ( 13.274 -5.010 0.000) 14.188 1.989 ( 7.443 -5.053 0.000) 8.996 1.990 ( 8.351 -10.661 0.000) 13.542 2.407 ( -0.868 -6.747 0.000) 6.803 2.618 ( -5.080 -9.145 0.000) 10.461 2.750 ( -2.896 4.623 0.000) 5.455 2.925 ( 2.001 -1.177 0.000) 2.321 2.982 ( -4.349 -10.875 0.000) 11.712 3.193 ( -7.492 1.056 0.000) 7.566 3.308 ( -3.452 1.650 0.000) 3.826 3.439 ( 6.084 -2.494 0.000) 6.575 3.467 ( 2.354 -6.206 0.000) 6.637 3.546 ( 6.626 -4.941 0.000) 8.265 3.609 ( -1.258 -3.315 0.000) 3.546 3.824 ( 1.271 7.498 0.000) 7.605 3.877 ( 0.373 8.042 0.000) 8.051 4.075 ( -1.560 10.415 0.000) 10.531 4.080 ( 3.404 2.493 0.000) 4.219 4.226 ( -3.234 1.268 0.000) 3.474 4.270 ( -8.973 -1.586 0.000) 9.112 4.360 ( 4.260 4.783 0.000) 6.405 4.435 ( 7.325 -0.193 0.000) 7.327 4.633 ( -2.538 1.991 0.000) 3.226 4.641 ( -10.296 -2.278 0.000) 10.545 4.859 ( 2.214 -1.428 0.000) 2.634 4.915 ( 3.552 -7.335 0.000) 8.150 5.021 ( -3.936 0.613 0.000) 3.984 5.022 ( -1.266 -9.808 0.000) 9.889 5.106 ( -4.197 1.614 0.000) 4.496 5.186 ( 6.218 -2.377 0.000) 6.657 5.358 ( 6.243 1.668 0.000) 6.462 5.393 ( -5.438 2.674 0.000) 6.060 5.422 ( 5.390 -1.939 0.000) 5.728 5.578 ( -3.709 -0.786 0.000) 3.791 5.640 ( 1.190 7.205 0.000) 7.303 5.717 ( -2.546 3.813 0.000) 4.585 6.219 ( -4.092 2.716 0.000) 4.912 6.279 ( -0.066 5.813 0.000) 5.813 6.346 ( 2.234 -3.441 0.000) 4.103 6.491 ( -3.739 6.293 0.000) 7.320 6.694 ( -23.899 4.338 0.000) 24.290 6.781 ( -9.025 -1.161 0.000) 9.099 6.996 ( -3.872 0.195 0.000) 3.877 7.189 ( 2.546 -5.563 0.000) 6.118 7.873 ( -0.502 0.735 0.000) 0.890 7.950 ( 2.041 -1.261 0.000) 2.399 8.380 ( -7.946 2.388 0.000) 8.297 8.538 ( -3.187 -1.467 0.000) 3.508 8.883 ( 11.834 1.049 0.000) 11.880 9.104 ( 8.152 -6.000 0.000) 10.122 9.421 ( 2.533 8.375 0.000) 8.750 9.849 ( -0.853 -4.139 0.000) 4.226 10.284 ( 2.743 5.011 0.000) 5.712 10.647 ( 0.785 -4.425 0.000) 4.494 10.841 ( 16.097 -0.870 0.000) 16.120 10.937 ( 0.709 4.449 0.000) 4.505 11.251 ( -5.341 -2.296 0.000) 5.813 11.268 ( 23.933 -17.467 0.000) 29.629 11.938 ( 0.201 5.424 0.000) 5.428 12.269 ( -4.786 -2.051 0.000) 5.207 12.273 ( -3.262 1.601 0.000) 3.634 12.623 ( 2.286 -11.485 0.000) 11.710 12.627 ( 3.693 -2.128 0.000) 4.262 12.663 ( 5.611 -9.657 0.000) 11.169 12.863 ( -4.795 4.238 0.000) 6.400 12.881 ( -2.145 3.695 0.000) 4.273 13.033 ( -2.253 -0.517 0.000) 2.311 13.236 ( -3.179 -3.394 0.000) 4.650 14.520 ( 6.078 -5.096 0.000) 7.932 14.558 ( 4.553 -1.784 0.000) 4.890 14.597 ( 0.085 -1.465 0.000) 1.468 14.799 ( -0.539 -4.843 0.000) 4.873 15.137 ( 5.163 -0.006 0.000) 5.163 15.383 ( 12.790 -24.976 0.000) 28.060 15.977 ( 15.312 -6.037 0.000) 16.459 15.997 ( 1.936 -0.568 0.000) 2.018 20.603 ( 4.265 -2.397 0.000) 4.893 20.728 ( -9.127 8.761 0.000) 12.652 21.274 ( -15.794 11.737 0.000) 19.677 21.730 ( -12.519 -5.650 0.000) 13.735 21.957 ( -3.042 -0.370 0.000) 3.065 22.167 ( 10.198 0.471 0.000) 10.209 22.693 ( 2.846 8.943 0.000) 9.385 22.727 ( -1.998 -4.975 0.000) 5.361 22.983 ( -1.330 3.344 0.000) 3.599 23.278 ( -1.987 -8.447 0.000) 8.677 24.106 ( 10.612 0.091 0.000) 10.613 24.323 ( 1.959 -2.000 0.000) 2.800 24.423 ( 2.991 0.550 0.000) 3.041 24.453 ( 2.236 -0.162 0.000) 2.242 25.018 ( -24.004 24.932 0.000) 34.609 25.418 ( -8.265 -0.839 0.000) 8.308 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.20 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 22.477 6.889 0.000) 23.509 1.136 ( 18.523 5.338 0.000) 19.277 1.811 ( 17.858 -0.719 0.000) 17.872 2.030 ( 15.020 5.577 0.000) 16.022 2.049 ( 11.509 -13.204 0.000) 17.515 2.186 ( 5.722 -0.983 0.000) 5.806 2.233 ( 13.433 -1.100 0.000) 13.478 2.395 ( 5.044 -1.552 0.000) 5.278 2.482 ( 1.047 -0.622 0.000) 1.218 2.708 ( -1.651 6.461 0.000) 6.668 2.854 ( -5.013 -0.144 0.000) 5.015 2.877 ( -3.921 -3.594 0.000) 5.319 3.023 ( -7.389 1.218 0.000) 7.488 3.187 ( -8.539 2.345 0.000) 8.855 3.454 ( -2.863 -7.646 0.000) 8.164 3.558 ( -4.228 -3.346 0.000) 5.392 3.589 ( 7.381 2.040 0.000) 7.657 3.765 ( 10.569 -3.741 0.000) 11.211 3.787 ( -4.566 4.848 0.000) 6.660 3.931 ( 1.941 1.697 0.000) 2.578 4.013 ( -4.826 7.047 0.000) 8.541 4.048 ( -8.849 4.260 0.000) 9.821 4.126 ( -4.123 7.448 0.000) 8.513 4.152 ( 0.124 0.814 0.000) 0.824 4.335 ( -4.684 -4.209 0.000) 6.297 4.528 ( -6.259 -3.629 0.000) 7.235 4.611 ( 8.371 1.688 0.000) 8.540 4.622 ( 5.518 1.129 0.000) 5.632 4.917 ( 1.030 -3.415 0.000) 3.567 4.930 ( -0.270 -3.323 0.000) 3.334 4.966 ( -0.608 1.449 0.000) 1.571 5.045 ( -0.496 4.477 0.000) 4.505 5.073 ( 6.149 -8.985 0.000) 10.888 5.249 ( 0.622 -7.106 0.000) 7.133 5.309 ( -1.213 3.869 0.000) 4.055 5.404 ( -2.590 2.464 0.000) 3.575 5.552 ( 6.874 2.143 0.000) 7.200 5.569 ( -3.446 -2.682 0.000) 4.367 5.625 ( -0.383 3.740 0.000) 3.759 5.684 ( 3.270 2.487 0.000) 4.108 6.067 ( -9.067 6.066 0.000) 10.909 6.213 ( -11.646 3.228 0.000) 12.086 6.292 ( -8.554 0.523 0.000) 8.570 6.339 ( 0.055 4.306 0.000) 4.306 6.376 ( -11.425 -6.585 0.000) 13.187 6.613 ( -6.290 -0.658 0.000) 6.324 7.000 ( 3.882 0.776 0.000) 3.959 7.232 ( 0.789 -5.293 0.000) 5.351 7.878 ( 1.458 1.135 0.000) 1.847 8.014 ( 3.875 -2.936 0.000) 4.862 8.228 ( -5.989 3.783 0.000) 7.084 8.449 ( -5.126 -2.195 0.000) 5.577 9.121 ( 10.253 1.652 0.000) 10.386 9.290 ( 7.791 -3.833 0.000) 8.683 9.492 ( 4.373 5.967 0.000) 7.398 9.822 ( -2.209 -3.054 0.000) 3.769 10.377 ( 6.101 1.392 0.000) 6.257 10.669 ( 1.059 -6.302 0.000) 6.390 10.947 ( 0.011 4.161 0.000) 4.161 11.103 ( -8.110 1.993 0.000) 8.352 11.256 ( 21.738 3.121 0.000) 21.961 11.534 ( 7.404 -0.784 0.000) 7.445 11.903 ( -3.902 4.090 0.000) 5.653 12.144 ( -7.066 -2.198 0.000) 7.400 12.252 ( 1.942 0.017 0.000) 1.942 12.616 ( -3.622 -12.192 0.000) 12.719 12.652 ( -1.947 -0.698 0.000) 2.068 12.711 ( 1.259 -2.757 0.000) 3.031 12.801 ( 0.190 3.017 0.000) 3.023 12.839 ( -1.020 2.519 0.000) 2.718 12.964 ( -3.938 -0.111 0.000) 3.939 13.079 ( -10.880 1.494 0.000) 10.982 14.574 ( 1.669 0.555 0.000) 1.759 14.602 ( 0.344 -1.979 0.000) 2.009 14.653 ( 3.683 -3.528 0.000) 5.100 14.787 ( -0.655 -3.046 0.000) 3.116 15.272 ( 7.170 -1.136 0.000) 7.259 15.519 ( 2.200 -17.149 0.000) 17.290 16.049 ( 2.939 0.060 0.000) 2.940 16.193 ( 3.877 -8.121 0.000) 8.999 20.533 ( -7.359 13.114 0.000) 15.038 20.679 ( -0.446 -3.335 0.000) 3.365 21.007 ( -5.341 10.966 0.000) 12.197 21.534 ( -8.509 -7.628 0.000) 11.428 21.980 ( 4.272 -10.604 0.000) 11.432 22.307 ( 1.828 -6.120 0.000) 6.387 22.697 ( 0.019 -2.641 0.000) 2.641 22.729 ( 0.977 12.164 0.000) 12.203 22.967 ( 0.277 6.693 0.000) 6.698 23.208 ( -4.410 -4.453 0.000) 6.267 24.299 ( 7.743 -1.826 0.000) 7.955 24.373 ( 2.515 -1.097 0.000) 2.744 24.507 ( 2.592 0.375 0.000) 2.619 24.508 ( 5.087 0.496 0.000) 5.111 24.703 ( -8.373 15.816 0.000) 17.896 25.187 ( -13.001 -2.053 0.000) 13.162 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.20 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 17.096 0.562 0.000) 17.105 1.585 ( 18.303 -0.072 0.000) 18.303 1.928 ( -12.756 -0.778 0.000) 12.780 2.022 ( -13.538 -5.747 0.000) 14.707 2.095 ( 9.691 -4.277 0.000) 10.593 2.213 ( 0.385 -4.541 0.000) 4.557 2.530 ( 13.250 2.006 0.000) 13.401 2.616 ( 5.524 5.917 0.000) 8.094 2.684 ( 1.054 -6.247 0.000) 6.336 2.751 ( -5.223 -1.770 0.000) 5.515 2.827 ( 16.835 2.919 0.000) 17.086 2.892 ( 4.550 3.876 0.000) 5.977 2.932 ( 0.195 2.056 0.000) 2.065 2.999 ( -6.766 5.635 0.000) 8.805 3.367 ( -3.761 -8.059 0.000) 8.893 3.436 ( -6.883 -4.675 0.000) 8.321 3.662 ( -5.335 4.718 0.000) 7.122 3.720 ( 5.132 9.667 0.000) 10.945 3.739 ( -11.093 5.711 0.000) 12.477 3.844 ( -6.151 4.985 0.000) 7.917 3.957 ( 1.553 2.103 0.000) 2.615 4.019 ( -3.568 4.848 0.000) 6.020 4.079 ( 9.432 -3.235 0.000) 9.972 4.194 ( 0.929 -0.666 0.000) 1.143 4.322 ( 0.215 -2.558 0.000) 2.567 4.379 ( -7.038 -3.601 0.000) 7.905 4.706 ( 4.298 0.633 0.000) 4.344 4.769 ( 3.013 -5.253 0.000) 6.056 4.861 ( -3.324 -2.204 0.000) 3.989 4.883 ( -3.020 -6.459 0.000) 7.130 5.028 ( 5.928 1.423 0.000) 6.096 5.127 ( 8.704 8.667 0.000) 12.283 5.144 ( -1.605 -1.904 0.000) 2.490 5.235 ( -0.311 6.342 0.000) 6.350 5.364 ( -4.758 4.283 0.000) 6.402 5.405 ( -9.614 2.257 0.000) 9.875 5.505 ( 12.730 -7.885 0.000) 14.974 5.531 ( 4.558 -2.933 0.000) 5.420 5.724 ( 1.325 -2.803 0.000) 3.100 5.781 ( 3.817 -4.169 0.000) 5.652 5.909 ( -4.230 3.600 0.000) 5.555 5.968 ( -12.942 -4.073 0.000) 13.567 6.082 ( -5.758 1.789 0.000) 6.030 6.125 ( -8.850 2.393 0.000) 9.168 6.421 ( 4.478 3.852 0.000) 5.907 6.512 ( -4.249 2.027 0.000) 4.707 7.108 ( 5.546 -0.797 0.000) 5.603 7.206 ( -3.281 -3.460 0.000) 4.768 7.941 ( 4.336 1.278 0.000) 4.520 8.038 ( -3.668 -0.657 0.000) 3.727 8.196 ( 4.525 0.972 0.000) 4.629 8.326 ( -6.525 -1.773 0.000) 6.762 9.297 ( 6.246 2.183 0.000) 6.616 9.370 ( -0.318 1.072 0.000) 1.118 9.616 ( 6.970 0.363 0.000) 6.980 9.747 ( -5.022 -1.871 0.000) 5.359 10.529 ( 7.824 -3.228 0.000) 8.464 10.659 ( -3.249 -7.745 0.000) 8.399 10.936 ( -0.712 4.522 0.000) 4.578 10.958 ( -4.181 5.815 0.000) 7.162 11.668 ( 5.981 2.910 0.000) 6.651 11.685 ( 17.752 1.920 0.000) 17.855 11.793 ( -5.946 3.572 0.000) 6.936 11.971 ( -10.012 -1.063 0.000) 10.068 12.339 ( 5.759 -2.855 0.000) 6.427 12.483 ( -7.625 -6.459 0.000) 9.993 12.640 ( 2.882 4.240 0.000) 5.127 12.749 ( 0.145 -1.491 0.000) 1.499 12.800 ( -5.229 2.316 0.000) 5.719 12.811 ( -0.715 -1.439 0.000) 1.607 12.878 ( -2.831 2.169 0.000) 3.566 12.890 ( -2.428 0.620 0.000) 2.506 14.600 ( 0.782 -0.217 0.000) 0.811 14.607 ( 0.065 -1.370 0.000) 1.371 14.721 ( 2.786 -2.311 0.000) 3.620 14.766 ( -1.502 -2.201 0.000) 2.665 15.417 ( 6.155 -3.624 0.000) 7.143 15.512 ( -2.616 -8.966 0.000) 9.339 16.117 ( 3.543 -0.647 0.000) 3.602 16.189 ( -2.806 -3.010 0.000) 4.115 20.461 ( 0.685 7.951 0.000) 7.980 20.553 ( -7.387 3.052 0.000) 7.992 21.099 ( 9.956 4.147 0.000) 10.785 21.328 ( -10.960 -0.843 0.000) 10.992 22.107 ( 7.063 -15.560 0.000) 17.088 22.250 ( -5.902 -13.938 0.000) 15.136 22.723 ( 1.485 5.617 0.000) 5.810 22.739 ( -0.032 10.516 0.000) 10.516 23.008 ( 3.613 4.294 0.000) 5.612 23.104 ( -5.159 -0.263 0.000) 5.165 24.414 ( 2.593 -1.240 0.000) 2.875 24.418 ( 1.486 -0.406 0.000) 1.540 24.554 ( 1.806 1.886 0.000) 2.611 24.595 ( -2.696 6.146 0.000) 6.711 24.657 ( 9.502 0.297 0.000) 9.507 24.904 ( -13.347 -1.803 0.000) 13.469 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.40 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 0.000 19.298 0.000) 19.298 0.906 ( 0.000 20.412 0.000) 20.412 1.308 ( 0.000 -9.192 0.000) 9.192 1.406 ( 0.000 -16.823 0.000) 16.823 1.741 ( 0.000 -1.292 0.000) 1.292 1.790 ( 0.000 -4.493 0.000) 4.493 1.810 ( 0.000 41.759 0.000) 41.759 2.337 ( 0.000 0.394 0.000) 0.394 2.401 ( 0.000 -5.429 0.000) 5.429 2.519 ( 0.000 -31.962 0.000) 31.962 2.957 ( 0.000 10.755 0.000) 10.755 3.070 ( 0.000 15.395 0.000) 15.395 3.198 ( 0.000 -13.346 0.000) 13.346 3.331 ( 0.000 -1.478 0.000) 1.478 3.376 ( 0.000 -2.693 0.000) 2.693 3.393 ( 0.000 5.851 0.000) 5.851 3.402 ( 0.000 -14.488 0.000) 14.488 3.480 ( 0.000 -2.304 0.000) 2.304 3.975 ( 0.000 9.612 0.000) 9.612 4.068 ( 0.000 10.938 0.000) 10.938 4.117 ( 0.000 -0.716 0.000) 0.716 4.185 ( 0.000 3.386 0.000) 3.386 4.211 ( 0.000 -3.659 0.000) 3.659 4.356 ( 0.000 -10.320 0.000) 10.320 4.394 ( 0.000 13.808 0.000) 13.808 4.425 ( 0.000 5.786 0.000) 5.786 4.621 ( 0.000 -10.291 0.000) 10.291 4.630 ( 0.000 -8.723 0.000) 8.723 4.846 ( 0.000 10.558 0.000) 10.558 4.872 ( 0.000 1.167 0.000) 1.167 4.900 ( 0.000 -3.124 0.000) 3.124 5.065 ( 0.000 -11.223 0.000) 11.223 5.111 ( 0.000 1.743 0.000) 1.743 5.137 ( 0.000 -0.417 0.000) 0.417 5.270 ( 0.000 0.743 0.000) 0.743 5.278 ( 0.000 -0.274 0.000) 0.274 5.513 ( 0.000 3.121 0.000) 3.121 5.583 ( 0.000 -3.927 0.000) 3.927 5.749 ( 0.000 5.619 0.000) 5.619 5.806 ( 0.000 0.654 0.000) 0.654 6.174 ( 0.000 -2.213 0.000) 2.213 6.190 ( 0.000 -2.780 0.000) 2.780 6.545 ( 0.000 13.038 0.000) 13.038 6.708 ( 0.000 12.165 0.000) 12.165 6.755 ( 0.000 -8.187 0.000) 8.187 6.945 ( 0.000 -11.838 0.000) 11.838 7.110 ( 0.000 3.663 0.000) 3.663 7.215 ( 0.000 -7.204 0.000) 7.204 7.891 ( 0.000 0.746 0.000) 0.746 7.908 ( 0.000 -0.986 0.000) 0.986 8.505 ( 0.000 2.362 0.000) 2.362 8.546 ( 0.000 -1.843 0.000) 1.843 8.792 ( 0.000 4.432 0.000) 4.432 8.890 ( 0.000 -5.732 0.000) 5.732 9.574 ( 0.000 9.557 0.000) 9.557 9.749 ( 0.000 -8.583 0.000) 8.583 10.400 ( 0.000 7.553 0.000) 7.553 10.473 ( 0.000 3.727 0.000) 3.727 10.541 ( 0.000 -7.041 0.000) 7.041 10.557 ( 0.000 -4.727 0.000) 4.727 11.049 ( 0.000 7.439 0.000) 7.439 11.195 ( 0.000 -7.267 0.000) 7.267 12.091 ( 0.000 9.614 0.000) 9.614 12.274 ( 0.000 -8.826 0.000) 8.826 12.360 ( 0.000 1.820 0.000) 1.820 12.382 ( 0.000 -0.372 0.000) 0.372 12.564 ( 0.000 -0.162 0.000) 0.162 12.572 ( 0.000 -1.283 0.000) 1.283 12.978 ( 0.000 3.291 0.000) 3.291 13.007 ( 0.000 5.340 0.000) 5.340 13.028 ( 0.000 -1.958 0.000) 1.958 13.123 ( 0.000 -6.538 0.000) 6.538 14.465 ( 0.000 9.499 0.000) 9.499 14.547 ( 0.000 1.409 0.000) 1.409 14.575 ( 0.000 -1.365 0.000) 1.365 14.651 ( 0.000 -9.466 0.000) 9.466 15.095 ( 0.000 1.087 0.000) 1.087 15.118 ( 0.000 -1.170 0.000) 1.170 15.860 ( 0.000 4.161 0.000) 4.161 15.934 ( 0.000 -3.188 0.000) 3.188 20.565 ( 0.000 3.479 0.000) 3.479 20.680 ( 0.000 -7.795 0.000) 7.795 21.808 ( 0.000 16.156 0.000) 16.156 21.945 ( 0.000 3.085 0.000) 3.085 21.990 ( 0.000 -1.429 0.000) 1.429 22.064 ( 0.000 -9.633 0.000) 9.633 22.627 ( 0.000 1.952 0.000) 1.952 22.682 ( 0.000 -3.668 0.000) 3.668 23.020 ( 0.000 2.214 0.000) 2.214 23.107 ( 0.000 -7.289 0.000) 7.289 24.108 ( 0.000 7.732 0.000) 7.732 24.230 ( 0.000 -5.035 0.000) 5.035 24.404 ( 0.000 0.809 0.000) 0.809 24.419 ( 0.000 -0.634 0.000) 0.634 25.509 ( 0.000 0.051 0.000) 0.051 25.510 ( 0.000 -0.066 0.000) 0.066 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.40 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 10.003 16.144 0.000) 18.991 1.019 ( 10.479 14.029 0.000) 17.510 1.430 ( 10.165 -8.206 0.000) 13.064 1.519 ( 10.034 -16.015 0.000) 18.899 1.876 ( 12.117 -0.274 0.000) 12.120 1.922 ( 11.390 -3.424 0.000) 11.894 2.016 ( 17.520 33.134 0.000) 37.481 2.349 ( 0.655 1.483 0.000) 1.621 2.439 ( 0.390 -7.415 0.000) 7.425 2.576 ( 5.378 -23.308 0.000) 23.920 2.949 ( -1.488 7.483 0.000) 7.630 3.023 ( -4.453 5.234 0.000) 6.872 3.240 ( -7.510 3.297 0.000) 8.202 3.271 ( 0.713 -2.923 0.000) 3.009 3.321 ( 0.259 -5.347 0.000) 5.354 3.417 ( 3.194 -11.129 0.000) 11.579 3.447 ( 3.316 0.626 0.000) 3.374 3.503 ( 3.299 -2.287 0.000) 4.014 3.978 ( -0.728 8.132 0.000) 8.165 4.038 ( -4.055 5.935 0.000) 7.188 4.142 ( 2.590 -0.731 0.000) 2.691 4.184 ( -4.153 -3.445 0.000) 5.395 4.223 ( 2.745 5.527 0.000) 6.171 4.313 ( -3.742 3.690 0.000) 5.255 4.419 ( 5.902 1.923 0.000) 6.207 4.463 ( 0.676 4.336 0.000) 4.388 4.572 ( -4.298 -3.124 0.000) 5.314 4.657 ( -3.283 -4.610 0.000) 5.659 4.797 ( 0.791 -3.418 0.000) 3.508 4.821 ( -2.277 -2.310 0.000) 3.243 4.879 ( 0.341 0.607 0.000) 0.696 4.966 ( -1.857 -5.731 0.000) 6.024 5.141 ( -1.710 1.748 0.000) 2.445 5.162 ( -0.157 -0.579 0.000) 0.600 5.374 ( 6.530 0.929 0.000) 6.596 5.396 ( 8.251 -1.209 0.000) 8.339 5.473 ( -1.413 3.838 0.000) 4.090 5.534 ( -3.830 -2.847 0.000) 4.773 5.746 ( -1.212 3.961 0.000) 4.142 5.778 ( -2.694 1.128 0.000) 2.921 6.209 ( 1.284 -0.665 0.000) 1.446 6.243 ( 4.688 -4.744 0.000) 6.669 6.482 ( -5.074 11.494 0.000) 12.564 6.644 ( -9.549 8.677 0.000) 12.903 6.663 ( -9.772 -6.724 0.000) 11.862 6.768 ( -19.886 -2.830 0.000) 20.086 7.008 ( -3.550 1.393 0.000) 3.813 7.070 ( 0.361 -5.448 0.000) 5.460 7.893 ( 0.102 1.327 0.000) 1.331 7.921 ( 0.921 -1.583 0.000) 1.832 8.437 ( -6.195 3.297 0.000) 7.018 8.497 ( -4.465 -2.752 0.000) 5.246 8.923 ( 11.089 3.128 0.000) 11.522 9.000 ( 9.553 -4.811 0.000) 10.696 9.586 ( 1.181 8.605 0.000) 8.686 9.739 ( -0.075 -7.117 0.000) 7.118 10.401 ( 0.680 6.872 0.000) 6.906 10.535 ( 0.047 -6.797 0.000) 6.798 10.850 ( 23.088 2.618 0.000) 23.236 10.969 ( 30.059 -10.088 0.000) 31.706 11.054 ( 1.573 5.855 0.000) 6.063 11.174 ( -2.046 -5.621 0.000) 5.982 12.072 ( -1.900 7.872 0.000) 8.098 12.205 ( -4.735 -5.202 0.000) 7.034 12.322 ( -2.979 3.612 0.000) 4.682 12.419 ( 0.372 -7.095 0.000) 7.105 12.587 ( 2.663 -1.536 0.000) 3.074 12.590 ( 2.273 -1.415 0.000) 2.677 12.943 ( -2.918 2.469 0.000) 3.823 12.948 ( -4.011 3.276 0.000) 5.179 13.029 ( -1.287 1.330 0.000) 1.851 13.123 ( -1.150 -6.879 0.000) 6.975 14.489 ( 2.516 2.835 0.000) 3.791 14.555 ( -0.710 -2.982 0.000) 3.065 14.589 ( 2.644 3.233 0.000) 4.176 14.684 ( 1.842 -6.374 0.000) 6.635 15.139 ( 4.106 0.366 0.000) 4.122 15.167 ( 4.648 -3.463 0.000) 5.796 15.955 ( 7.534 0.826 0.000) 7.579 15.978 ( 3.703 -1.284 0.000) 3.920 20.611 ( 3.806 3.429 0.000) 5.122 20.713 ( 2.024 -5.877 0.000) 6.216 21.497 ( -18.336 10.160 0.000) 20.963 21.639 ( -19.643 -4.960 0.000) 20.260 22.047 ( -3.162 6.740 0.000) 7.445 22.151 ( 4.798 -3.039 0.000) 5.679 22.667 ( 0.159 -0.096 0.000) 0.186 22.717 ( 5.422 -3.373 0.000) 6.386 23.047 ( 1.708 3.481 0.000) 3.877 23.132 ( 1.248 -5.905 0.000) 6.036 24.176 ( 5.663 5.103 0.000) 7.623 24.266 ( 3.106 -3.982 0.000) 5.050 24.436 ( 2.845 0.709 0.000) 2.932 24.447 ( 2.555 -0.473 0.000) 2.599 25.300 ( -16.282 7.665 0.000) 17.996 25.388 ( -10.597 -2.558 0.000) 10.901 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.40 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 12.949 7.216 0.000) 14.824 1.287 ( 14.666 6.960 0.000) 16.234 1.666 ( 10.945 -6.826 0.000) 12.899 1.753 ( 9.722 -14.263 0.000) 17.261 2.167 ( 8.333 -0.551 0.000) 8.351 2.169 ( 11.070 0.049 0.000) 11.071 2.314 ( 3.492 9.695 0.000) 10.305 2.391 ( 5.900 -0.550 0.000) 5.926 2.530 ( 17.628 8.063 0.000) 19.385 2.736 ( 9.413 -8.181 0.000) 12.471 2.865 ( -6.550 4.326 0.000) 7.850 2.893 ( -6.806 2.223 0.000) 7.159 3.072 ( -7.358 4.388 0.000) 8.567 3.168 ( -6.448 -4.200 0.000) 7.695 3.343 ( -2.247 -1.811 0.000) 2.886 3.427 ( -1.774 -8.760 0.000) 8.938 3.618 ( 11.443 2.688 0.000) 11.755 3.688 ( 12.753 -4.092 0.000) 13.394 3.875 ( -8.271 4.017 0.000) 9.195 3.930 ( -6.783 -1.565 0.000) 6.961 4.149 ( -5.600 1.760 0.000) 5.870 4.152 ( -1.245 -0.138 0.000) 1.252 4.196 ( -4.416 7.678 0.000) 8.857 4.222 ( 0.659 4.066 0.000) 4.120 4.320 ( -8.390 3.276 0.000) 9.006 4.430 ( -6.777 -6.473 0.000) 9.372 4.642 ( 6.035 3.214 0.000) 6.838 4.666 ( 5.129 3.313 0.000) 6.106 4.828 ( -0.615 -7.559 0.000) 7.584 4.829 ( 1.076 -5.447 0.000) 5.552 4.962 ( 9.024 -0.751 0.000) 9.055 4.976 ( 3.087 -0.775 0.000) 3.183 5.112 ( 0.788 1.935 0.000) 2.089 5.146 ( 0.094 -2.810 0.000) 2.811 5.393 ( -0.628 4.636 0.000) 4.678 5.466 ( -1.487 1.490 0.000) 2.105 5.501 ( 0.256 -1.592 0.000) 1.613 5.557 ( 2.962 -2.205 0.000) 3.693 5.690 ( -2.640 2.958 0.000) 3.965 5.722 ( -1.506 0.285 0.000) 1.533 6.154 ( -8.969 3.273 0.000) 9.548 6.227 ( -15.513 -4.426 0.000) 16.132 6.290 ( -8.693 0.990 0.000) 8.750 6.304 ( -12.779 0.192 0.000) 12.780 6.466 ( -0.018 7.697 0.000) 7.697 6.580 ( -3.152 -3.563 0.000) 4.757 7.030 ( 3.264 2.747 0.000) 4.266 7.115 ( 1.941 -5.982 0.000) 6.289 7.909 ( 1.885 2.063 0.000) 2.794 7.956 ( 2.650 -2.864 0.000) 3.901 8.310 ( -5.383 4.443 0.000) 6.980 8.391 ( -5.282 -3.804 0.000) 6.510 9.164 ( 10.805 2.741 0.000) 11.147 9.222 ( 10.266 -3.263 0.000) 10.773 9.614 ( 1.150 6.595 0.000) 6.695 9.735 ( -0.826 -5.769 0.000) 5.828 10.432 ( 2.321 4.402 0.000) 4.977 10.540 ( 0.324 -6.590 0.000) 6.598 11.038 ( -1.032 4.742 0.000) 4.853 11.106 ( -3.926 -1.908 0.000) 4.365 11.351 ( 21.807 6.489 0.000) 22.752 11.476 ( 16.164 -5.474 0.000) 17.065 12.000 ( -5.144 5.304 0.000) 7.389 12.087 ( -6.502 -3.717 0.000) 7.490 12.280 ( -0.269 3.430 0.000) 3.441 12.399 ( -1.298 -9.251 0.000) 9.342 12.645 ( 2.815 0.203 0.000) 2.822 12.665 ( 3.704 -1.851 0.000) 4.140 12.863 ( -3.716 2.687 0.000) 4.586 12.876 ( -2.963 1.063 0.000) 3.148 12.972 ( -3.773 1.639 0.000) 4.114 13.042 ( -6.491 -4.487 0.000) 7.891 14.560 ( 3.658 -1.874 0.000) 4.111 14.562 ( 1.210 -1.706 0.000) 2.091 14.628 ( 1.178 2.629 0.000) 2.881 14.707 ( 0.323 -4.856 0.000) 4.867 15.252 ( 5.942 -0.505 0.000) 5.964 15.286 ( 5.760 -5.627 0.000) 8.053 16.059 ( 3.445 1.125 0.000) 3.624 16.097 ( 4.661 -2.973 0.000) 5.528 20.674 ( 0.373 2.112 0.000) 2.145 20.695 ( -4.419 2.404 0.000) 5.030 21.197 ( -7.705 8.509 0.000) 11.479 21.351 ( -6.351 -8.848 0.000) 10.891 21.962 ( -4.027 5.979 0.000) 7.208 22.134 ( -4.947 -10.533 0.000) 11.637 22.721 ( 4.239 4.252 0.000) 6.005 22.805 ( 2.926 -2.537 0.000) 3.873 23.072 ( 0.663 4.202 0.000) 4.254 23.134 ( -0.864 -2.931 0.000) 3.056 24.306 ( 6.021 1.673 0.000) 6.249 24.343 ( 3.846 -1.941 0.000) 4.308 24.514 ( 3.554 0.236 0.000) 3.562 24.515 ( 4.527 0.183 0.000) 4.531 24.968 ( -13.809 10.913 0.000) 17.601 25.120 ( -13.790 -5.340 0.000) 14.787 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.40 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 11.809 2.311 0.000) 12.033 1.575 ( 10.800 -0.798 0.000) 10.829 1.794 ( -1.043 -5.942 0.000) 6.033 1.824 ( -3.219 -8.733 0.000) 9.307 2.209 ( 2.913 8.792 0.000) 9.262 2.264 ( 1.888 3.559 0.000) 4.029 2.500 ( 6.900 -2.770 0.000) 7.435 2.532 ( 2.207 -6.629 0.000) 6.987 2.754 ( -0.546 5.427 0.000) 5.454 2.782 ( -2.841 2.293 0.000) 3.651 2.885 ( 10.466 2.833 0.000) 10.842 2.929 ( 7.166 -1.260 0.000) 7.276 2.966 ( -2.230 3.275 0.000) 3.962 3.036 ( -5.012 -2.394 0.000) 5.555 3.283 ( -1.108 0.415 0.000) 1.183 3.347 ( -5.193 -4.669 0.000) 6.983 3.733 ( -3.583 2.633 0.000) 4.446 3.767 ( -6.712 -0.842 0.000) 6.765 3.869 ( 10.808 5.304 0.000) 12.040 3.940 ( 6.789 -0.178 0.000) 6.791 4.026 ( -4.282 3.115 0.000) 5.295 4.028 ( 0.312 0.492 0.000) 0.583 4.122 ( -8.287 5.354 0.000) 9.866 4.180 ( -4.329 -0.605 0.000) 4.371 4.277 ( 0.515 -1.687 0.000) 1.764 4.298 ( -3.527 -4.097 0.000) 5.406 4.730 ( 2.121 1.811 0.000) 2.789 4.737 ( 3.050 1.234 0.000) 3.290 4.797 ( -1.605 -2.848 0.000) 3.269 4.800 ( -2.767 -3.504 0.000) 4.465 5.058 ( 3.473 1.604 0.000) 3.826 5.093 ( 0.915 -2.311 0.000) 2.486 5.243 ( 10.305 3.367 0.000) 10.841 5.290 ( 11.641 -2.016 0.000) 11.814 5.412 ( 2.897 1.826 0.000) 3.424 5.437 ( -4.658 2.020 0.000) 5.077 5.462 ( -8.788 1.113 0.000) 8.858 5.475 ( 1.080 -2.218 0.000) 2.467 5.672 ( -1.650 -1.827 0.000) 2.461 5.690 ( -3.046 -3.852 0.000) 4.911 5.920 ( -8.775 -0.686 0.000) 8.802 5.929 ( -8.095 -0.744 0.000) 8.129 6.126 ( -3.563 2.154 0.000) 4.164 6.148 ( -5.106 0.019 0.000) 5.106 6.513 ( 2.572 4.586 0.000) 5.258 6.551 ( -1.053 0.886 0.000) 1.376 7.094 ( 2.506 -0.061 0.000) 2.507 7.129 ( -0.627 -3.663 0.000) 3.716 7.974 ( 3.716 2.033 0.000) 4.236 8.013 ( 1.244 -1.867 0.000) 2.243 8.230 ( -1.211 2.454 0.000) 2.736 8.281 ( -4.847 -2.706 0.000) 5.551 9.348 ( 6.057 2.686 0.000) 6.626 9.381 ( 3.604 -0.450 0.000) 3.632 9.637 ( 1.695 2.112 0.000) 2.708 9.694 ( -2.959 -3.359 0.000) 4.477 10.493 ( 3.102 0.082 0.000) 3.103 10.538 ( -0.885 -4.547 0.000) 4.633 11.012 ( -0.895 2.800 0.000) 2.940 11.028 ( -2.706 1.346 0.000) 3.022 11.720 ( 8.531 1.803 0.000) 8.720 11.722 ( 13.466 1.420 0.000) 13.540 11.873 ( -6.548 4.141 0.000) 7.747 11.937 ( -7.963 -2.530 0.000) 8.355 12.309 ( 2.540 0.417 0.000) 2.574 12.364 ( -2.297 -5.138 0.000) 5.628 12.711 ( 3.407 2.061 0.000) 3.982 12.726 ( 1.941 -0.591 0.000) 2.029 12.805 ( -1.432 1.608 0.000) 2.153 12.836 ( -1.326 0.307 0.000) 1.361 12.891 ( -5.773 -0.391 0.000) 5.786 12.893 ( -3.151 -0.268 0.000) 3.163 14.593 ( 1.420 0.332 0.000) 1.458 14.608 ( 0.377 0.566 0.000) 0.680 14.659 ( 2.157 -2.372 0.000) 3.206 14.698 ( -1.211 -4.287 0.000) 4.455 15.357 ( 3.398 -1.756 0.000) 3.825 15.373 ( 1.963 -4.028 0.000) 4.481 16.114 ( 1.904 0.514 0.000) 1.972 16.139 ( -0.141 -2.038 0.000) 2.043 20.599 ( -2.607 4.747 0.000) 5.416 20.616 ( -3.612 2.438 0.000) 4.357 21.192 ( 4.559 5.146 0.000) 6.875 21.284 ( -2.997 -3.951 0.000) 4.959 21.922 ( 1.079 -2.493 0.000) 2.716 22.006 ( -6.101 -10.046 0.000) 11.754 22.804 ( 3.038 3.130 0.000) 4.362 22.837 ( -0.007 0.497 0.000) 0.497 23.084 ( 0.776 2.900 0.000) 3.002 23.108 ( -1.393 0.161 0.000) 1.402 24.404 ( 2.741 0.020 0.000) 2.741 24.409 ( 1.959 -0.452 0.000) 2.010 24.595 ( 4.381 2.162 0.000) 4.886 24.628 ( 6.017 -1.160 0.000) 6.127 24.743 ( -6.940 6.521 0.000) 9.523 24.848 ( -11.496 -4.182 0.000) 12.234 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 0.000 0.000 24.401) 24.401 0.571 ( 0.000 0.000 26.781) 26.781 0.843 ( 0.000 0.000 37.748) 37.748 1.528 ( 0.000 0.000 12.500) 12.500 1.713 ( 0.000 0.000 10.678) 10.678 1.968 ( 0.000 0.000 -0.038) 0.038 2.089 ( 0.000 0.000 7.296) 7.296 2.597 ( 0.000 0.000 5.152) 5.152 2.626 ( 0.000 0.000 1.171) 1.171 2.715 ( 0.000 0.000 -3.266) 3.266 2.763 ( 0.000 0.000 7.560) 7.560 3.018 ( 0.000 0.000 -15.970) 15.970 3.214 ( 0.000 0.000 -4.046) 4.046 3.304 ( 0.000 0.000 -0.577) 0.577 3.349 ( 0.000 0.000 -3.475) 3.475 3.496 ( 0.000 0.000 2.888) 2.888 3.613 ( 0.000 0.000 0.838) 0.838 3.704 ( 0.000 0.000 2.657) 2.657 3.725 ( 0.000 0.000 10.963) 10.963 3.775 ( 0.000 0.000 1.251) 1.251 3.915 ( 0.000 0.000 2.123) 2.123 4.011 ( 0.000 0.000 0.718) 0.718 4.210 ( 0.000 0.000 1.506) 1.506 4.255 ( 0.000 0.000 -0.900) 0.900 4.454 ( 0.000 0.000 -11.928) 11.928 4.533 ( 0.000 0.000 -0.265) 0.265 4.581 ( 0.000 0.000 -7.233) 7.233 4.631 ( 0.000 0.000 -2.217) 2.217 4.737 ( 0.000 0.000 -5.509) 5.509 4.791 ( 0.000 0.000 -6.652) 6.652 4.961 ( 0.000 0.000 -5.095) 5.095 5.169 ( 0.000 0.000 -3.713) 3.713 5.211 ( 0.000 0.000 3.712) 3.712 5.288 ( 0.000 0.000 10.224) 10.224 5.329 ( 0.000 0.000 0.843) 0.843 5.527 ( 0.000 0.000 8.510) 8.510 5.621 ( 0.000 0.000 11.507) 11.507 5.630 ( 0.000 0.000 -4.385) 4.385 5.693 ( 0.000 0.000 2.173) 2.173 5.778 ( 0.000 0.000 -9.190) 9.190 6.189 ( 0.000 0.000 -0.282) 0.282 6.194 ( 0.000 0.000 -12.719) 12.719 6.204 ( 0.000 0.000 -4.518) 4.518 6.338 ( 0.000 0.000 3.500) 3.500 6.615 ( 0.000 0.000 8.192) 8.192 6.910 ( 0.000 0.000 -9.785) 9.785 6.940 ( 0.000 0.000 4.371) 4.371 7.299 ( 0.000 0.000 5.132) 5.132 7.922 ( 0.000 0.000 -1.082) 1.082 7.992 ( 0.000 0.000 -2.965) 2.965 8.402 ( 0.000 0.000 -3.616) 3.616 8.511 ( 0.000 0.000 -6.466) 6.466 8.825 ( 0.000 0.000 11.052) 11.052 9.139 ( 0.000 0.000 3.224) 3.224 9.279 ( 0.000 0.000 0.190) 0.190 9.878 ( 0.000 0.000 -2.198) 2.198 10.246 ( 0.000 0.000 5.656) 5.656 10.452 ( 0.000 0.000 4.193) 4.193 10.635 ( 0.000 0.000 -4.071) 4.071 10.714 ( 0.000 0.000 3.283) 3.283 11.006 ( 0.000 0.000 9.068) 9.068 11.406 ( 0.000 0.000 2.614) 2.614 11.873 ( 0.000 0.000 0.611) 0.611 12.305 ( 0.000 0.000 -2.829) 2.829 12.352 ( 0.000 0.000 -1.416) 1.416 12.585 ( 0.000 0.000 1.211) 1.211 12.691 ( 0.000 0.000 0.363) 0.363 12.806 ( 0.000 0.000 -1.948) 1.948 12.926 ( 0.000 0.000 -11.061) 11.061 12.949 ( 0.000 0.000 4.588) 4.588 13.331 ( 0.000 0.000 1.635) 1.635 14.096 ( 0.000 0.000 -7.494) 7.494 14.264 ( 0.000 0.000 2.085) 2.085 14.524 ( 0.000 0.000 -6.919) 6.919 14.557 ( 0.000 0.000 2.901) 2.901 14.609 ( 0.000 0.000 0.538) 0.538 15.026 ( 0.000 0.000 -4.255) 4.255 15.049 ( 0.000 0.000 12.725) 12.725 15.646 ( 0.000 0.000 -10.483) 10.483 17.374 ( 0.000 0.000 -12.598) 12.598 20.481 ( 0.000 0.000 0.169) 0.169 20.833 ( 0.000 0.000 -4.411) 4.411 20.890 ( 0.000 0.000 -0.420) 0.420 21.389 ( 0.000 0.000 4.216) 4.216 21.713 ( 0.000 0.000 -16.498) 16.498 21.901 ( 0.000 0.000 3.395) 3.395 22.477 ( 0.000 0.000 16.150) 16.150 22.863 ( 0.000 0.000 7.828) 7.828 23.492 ( 0.000 0.000 6.217) 6.217 23.783 ( 0.000 0.000 -4.085) 4.085 23.813 ( 0.000 0.000 1.268) 1.268 24.315 ( 0.000 0.000 -0.920) 0.920 24.378 ( 0.000 0.000 -0.575) 0.575 24.383 ( 0.000 0.000 -4.502) 4.502 24.383 ( 0.000 0.000 -1.380) 1.380 25.397 ( 0.000 0.000 -10.394) 10.394 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.14 0.00 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 16.130 0.000 11.913) 20.052 0.743 ( 18.638 0.000 17.338) 25.456 1.248 ( 23.893 0.000 18.615) 30.288 1.649 ( 10.191 0.000 5.038) 11.368 1.879 ( 13.120 0.000 7.873) 15.301 2.119 ( 10.492 0.000 0.270) 10.496 2.158 ( 6.489 0.000 8.023) 10.319 2.570 ( -2.213 0.000 4.885) 5.363 2.617 ( -4.463 0.000 -3.178) 5.479 2.746 ( -2.120 0.000 6.948) 7.264 2.861 ( 4.249 0.000 -8.748) 9.725 2.999 ( -2.850 0.000 -13.744) 14.037 3.153 ( -6.212 0.000 -2.162) 6.578 3.204 ( -7.699 0.000 -1.690) 7.883 3.404 ( 3.555 0.000 -2.752) 4.496 3.554 ( 8.403 0.000 -2.972) 8.913 3.611 ( -0.443 0.000 -1.070) 1.158 3.676 ( -0.439 0.000 6.070) 6.085 3.749 ( 0.803 0.000 3.246) 3.344 3.811 ( 5.770 0.000 7.249) 9.265 3.996 ( 2.331 0.000 -0.505) 2.385 3.996 ( -1.147 0.000 -1.062) 1.563 4.184 ( -0.990 0.000 0.325) 1.042 4.251 ( 0.524 0.000 -0.828) 0.980 4.300 ( -10.515 0.000 0.434) 10.524 4.450 ( -1.013 0.000 -10.744) 10.792 4.633 ( 9.559 0.000 4.554) 10.588 4.636 ( -10.430 0.000 -2.890) 10.823 4.747 ( 0.719 0.000 -6.547) 6.587 4.878 ( -5.112 0.000 -10.069) 11.292 5.016 ( 17.297 0.000 -9.053) 19.523 5.133 ( -6.352 0.000 0.632) 6.384 5.163 ( -3.152 0.000 4.884) 5.813 5.293 ( -0.310 0.000 11.097) 11.102 5.382 ( -0.040 0.000 2.277) 2.278 5.484 ( -2.633 0.000 8.224) 8.635 5.493 ( -5.557 0.000 -2.243) 5.993 5.582 ( -4.394 0.000 3.300) 5.495 5.659 ( -3.650 0.000 -1.881) 4.106 5.683 ( 6.467 0.000 12.064) 13.688 6.148 ( -4.925 0.000 -11.572) 12.576 6.156 ( -4.839 0.000 1.273) 5.003 6.224 ( 1.737 0.000 -3.060) 3.518 6.501 ( 3.394 0.000 -7.697) 8.412 6.582 ( -2.942 0.000 8.090) 8.608 6.855 ( -7.293 0.000 4.825) 8.745 6.901 ( -1.085 0.000 -7.492) 7.570 7.280 ( -0.928 0.000 2.094) 2.290 7.887 ( -3.932 0.000 0.927) 4.040 7.950 ( 2.666 0.000 -1.116) 2.890 8.379 ( -5.484 0.000 0.611) 5.518 8.512 ( -0.600 0.000 -4.083) 4.127 8.899 ( 7.830 0.000 3.560) 8.602 9.195 ( 5.460 0.000 0.002) 5.460 9.339 ( 2.924 0.000 1.936) 3.507 9.871 ( -0.945 0.000 -1.874) 2.099 10.292 ( 4.417 0.000 5.402) 6.978 10.649 ( 2.382 0.000 -2.545) 3.486 10.855 ( 11.208 0.000 1.182) 11.270 10.913 ( 23.105 0.000 -20.710) 31.028 11.013 ( 1.209 0.000 8.457) 8.543 11.334 ( -5.850 0.000 1.841) 6.133 11.905 ( 1.792 0.000 0.190) 1.802 12.256 ( -4.605 0.000 -3.236) 5.628 12.334 ( -2.813 0.000 2.197) 3.569 12.580 ( 1.469 0.000 -1.796) 2.320 12.708 ( -6.300 0.000 -5.620) 8.442 12.720 ( 2.604 0.000 0.711) 2.699 12.900 ( -4.049 0.000 3.537) 5.376 12.974 ( 1.473 0.000 -5.373) 5.571 13.215 ( -26.560 0.000 11.944) 29.122 13.240 ( -7.971 0.000 0.437) 7.983 14.541 ( -0.051 0.000 0.877) 0.878 14.577 ( 4.165 0.000 -4.788) 6.346 14.613 ( 0.271 0.000 0.140) 0.305 14.934 ( -5.629 0.000 4.435) 7.166 15.116 ( 4.616 0.000 -0.854) 4.695 15.258 ( 32.821 0.000 -26.302) 42.059 15.678 ( 2.036 0.000 -6.747) 7.047 16.964 ( -23.611 0.000 9.343) 25.392 20.437 ( -3.474 0.000 0.587) 3.523 20.626 ( 1.199 0.000 -1.460) 1.889 21.168 ( -15.393 0.000 2.486) 15.593 21.456 ( 10.865 0.000 -24.667) 26.954 21.899 ( 12.296 0.000 -12.490) 17.527 21.996 ( 10.958 0.000 -0.176) 10.959 22.493 ( 1.099 0.000 12.556) 12.604 22.885 ( 2.171 0.000 8.556) 8.827 23.378 ( -17.377 0.000 16.402) 23.895 23.449 ( -3.879 0.000 6.537) 7.601 24.104 ( 9.425 0.000 -12.159) 15.384 24.336 ( 1.814 0.000 -0.593) 1.909 24.386 ( 2.440 0.000 -2.792) 3.707 24.398 ( 1.291 0.000 -1.371) 1.883 24.441 ( 3.066 0.000 -2.671) 4.066 25.338 ( -6.550 0.000 -9.425) 11.477 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.29 0.00 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 22.656 0.000 -0.424) 22.660 1.188 ( 22.604 0.000 11.299) 25.271 1.729 ( 21.197 0.000 1.456) 21.247 1.891 ( 11.951 0.000 -8.028) 14.398 2.095 ( 6.111 0.000 -6.541) 8.951 2.299 ( -0.407 0.000 0.920) 1.006 2.325 ( 5.973 0.000 7.856) 9.869 2.506 ( -3.105 0.000 4.776) 5.696 2.607 ( -1.467 0.000 6.915) 7.069 2.671 ( 5.574 0.000 3.609) 6.641 2.899 ( 4.447 0.000 5.878) 7.371 2.900 ( -4.348 0.000 -6.806) 8.076 2.999 ( -12.303 0.000 -7.384) 14.349 3.011 ( -5.298 0.000 1.294) 5.454 3.455 ( 1.911 0.000 -2.635) 3.255 3.617 ( 0.161 0.000 1.378) 1.388 3.662 ( -3.670 0.000 -5.622) 6.714 3.665 ( -1.086 0.000 6.402) 6.493 3.817 ( 3.400 0.000 1.041) 3.556 3.926 ( 3.426 0.000 0.165) 3.430 3.972 ( -1.169 0.000 -0.134) 1.177 3.984 ( -0.826 0.000 1.851) 2.027 4.115 ( -4.701 0.000 7.042) 8.467 4.193 ( -0.051 0.000 4.021) 4.021 4.383 ( 12.147 0.000 -9.188) 15.230 4.384 ( -5.912 0.000 -5.639) 8.170 4.433 ( -5.100 0.000 -5.591) 7.567 4.759 ( -0.064 0.000 -3.140) 3.141 4.800 ( -1.321 0.000 -10.443) 10.526 4.857 ( 9.333 0.000 1.038) 9.391 4.975 ( -5.338 0.000 -0.279) 5.346 5.073 ( -4.290 0.000 5.527) 6.997 5.305 ( -5.141 0.000 7.279) 8.911 5.320 ( -3.097 0.000 -0.015) 3.097 5.343 ( 9.791 0.000 -7.822) 12.532 5.437 ( 3.482 0.000 1.376) 3.744 5.445 ( 0.643 0.000 5.434) 5.472 5.489 ( -6.212 0.000 -0.509) 6.233 5.607 ( 1.172 0.000 4.412) 4.565 5.858 ( 8.459 0.000 10.420) 13.421 6.002 ( -7.691 0.000 -10.551) 13.056 6.016 ( -7.974 0.000 2.818) 8.457 6.280 ( 3.731 0.000 -2.015) 4.240 6.447 ( -10.015 0.000 9.031) 13.485 6.452 ( -7.418 0.000 -0.512) 7.436 6.666 ( -9.645 0.000 4.559) 10.668 6.927 ( 4.590 0.000 -6.097) 7.631 7.263 ( -1.495 0.000 -2.428) 2.851 7.861 ( 1.217 0.000 0.187) 1.232 8.035 ( 5.477 0.000 -1.153) 5.598 8.229 ( -7.838 0.000 3.475) 8.574 8.461 ( -4.420 0.000 -1.139) 4.564 9.089 ( 9.252 0.000 -1.085) 9.315 9.358 ( 9.426 0.000 -4.233) 10.333 9.381 ( 0.834 0.000 1.840) 2.020 9.827 ( -3.382 0.000 -2.260) 4.067 10.424 ( 7.979 0.000 4.988) 9.410 10.729 ( 4.823 0.000 -0.334) 4.835 10.969 ( -0.616 0.000 4.910) 4.949 11.072 ( -7.832 0.000 -0.907) 7.884 11.226 ( 18.210 0.000 -0.152) 18.210 11.337 ( 8.848 0.000 -12.184) 15.058 11.876 ( -5.397 0.000 -0.854) 5.464 12.123 ( -7.800 0.000 -4.038) 8.784 12.302 ( 1.827 0.000 4.051) 4.444 12.587 ( -4.654 0.000 -4.855) 6.726 12.634 ( 1.097 0.000 -5.324) 5.436 12.781 ( 2.400 0.000 0.384) 2.430 12.815 ( -3.418 0.000 -0.489) 3.453 12.884 ( -7.467 0.000 4.336) 8.635 12.947 ( -4.038 0.000 -1.115) 4.189 13.032 ( -10.824 0.000 0.327) 10.829 14.545 ( 0.547 0.000 -1.435) 1.536 14.612 ( -0.496 0.000 -1.367) 1.454 14.659 ( 3.240 0.000 -2.431) 4.050 14.834 ( -3.483 0.000 1.277) 3.710 15.251 ( 8.133 0.000 -2.848) 8.617 15.690 ( -1.531 0.000 -2.471) 2.907 15.724 ( 15.533 0.000 -17.264) 23.223 16.560 ( -15.918 0.000 7.258) 17.495 20.375 ( -1.469 0.000 1.703) 2.249 20.743 ( 8.604 0.000 -5.488) 10.205 20.838 ( -15.174 0.000 3.493) 15.571 21.424 ( -8.201 0.000 -14.206) 16.403 22.147 ( 10.742 0.000 -9.254) 14.179 22.259 ( 12.178 0.000 -1.586) 12.281 22.501 ( -0.732 0.000 5.689) 5.736 22.956 ( 4.589 0.000 9.484) 10.536 23.054 ( -14.265 0.000 15.568) 21.115 23.342 ( -6.039 0.000 7.337) 9.502 24.278 ( 8.233 0.000 -9.151) 12.309 24.379 ( 2.115 0.000 -0.403) 2.153 24.427 ( 1.149 0.000 -0.962) 1.498 24.463 ( 4.358 0.000 -4.529) 6.285 24.496 ( 2.102 0.000 -1.851) 2.801 25.130 ( -12.507 0.000 -7.806) 14.743 ======================= Grid point 38 (16/60) ======================= q-point: ( 0.43 0.00 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 20.128 0.000 -0.168) 20.128 1.660 ( 21.784 0.000 7.320) 22.981 1.886 ( -13.411 0.000 -1.016) 13.449 2.038 ( -8.467 0.000 -0.946) 8.520 2.148 ( 9.485 0.000 -6.140) 11.299 2.285 ( 5.867 0.000 -7.370) 9.420 2.322 ( -4.212 0.000 -3.976) 5.793 2.521 ( -6.229 0.000 -6.592) 9.069 2.596 ( 10.149 0.000 -6.236) 11.912 2.764 ( -2.453 0.000 -2.915) 3.810 2.780 ( -1.714 0.000 -1.332) 2.170 2.846 ( -2.750 0.000 -1.099) 2.961 2.969 ( 3.705 0.000 4.064) 5.499 3.097 ( 1.716 0.000 12.234) 12.354 3.522 ( 1.065 0.000 2.503) 2.720 3.526 ( 4.849 0.000 -0.072) 4.850 3.596 ( -1.615 0.000 5.570) 5.799 3.648 ( 0.966 0.000 3.913) 4.030 3.742 ( -10.888 0.000 7.781) 13.382 3.790 ( -10.674 0.000 -1.439) 10.771 4.012 ( 2.185 0.000 6.186) 6.560 4.047 ( -1.528 0.000 6.183) 6.369 4.067 ( 6.948 0.000 -3.488) 7.774 4.205 ( -4.063 0.000 -2.540) 4.791 4.318 ( 2.182 0.000 -1.621) 2.718 4.378 ( -1.911 0.000 -2.110) 2.847 4.674 ( 11.170 0.000 -4.751) 12.138 4.801 ( 5.766 0.000 -8.015) 9.873 4.846 ( -3.726 0.000 -2.503) 4.489 4.851 ( 5.514 0.000 -4.802) 7.312 4.976 ( -5.455 0.000 3.251) 6.351 5.015 ( -0.374 0.000 -5.764) 5.776 5.174 ( -3.577 0.000 -9.908) 10.534 5.233 ( 0.210 0.000 10.371) 10.373 5.303 ( -9.971 0.000 -3.622) 10.609 5.313 ( -5.397 0.000 8.523) 10.088 5.600 ( 8.402 0.000 4.474) 9.519 5.621 ( 9.533 0.000 -9.311) 13.326 5.737 ( 2.503 0.000 6.693) 7.145 5.807 ( -8.500 0.000 -9.207) 12.531 5.890 ( 4.009 0.000 9.567) 10.373 6.054 ( 7.916 0.000 7.331) 10.790 6.193 ( -16.152 0.000 8.757) 18.373 6.230 ( -9.440 0.000 8.064) 12.416 6.376 ( 5.270 0.000 -0.961) 5.357 6.498 ( -6.453 0.000 0.596) 6.480 7.061 ( 7.157 0.000 -5.195) 8.844 7.195 ( -5.095 0.000 -4.373) 6.714 7.931 ( 5.279 0.000 0.849) 5.347 8.068 ( -7.379 0.000 2.399) 7.760 8.174 ( 7.550 0.000 -1.108) 7.631 8.334 ( -7.261 0.000 -0.788) 7.304 9.261 ( 6.786 0.000 -1.283) 6.907 9.363 ( -2.783 0.000 0.146) 2.787 9.559 ( 9.142 0.000 -4.976) 10.409 9.724 ( -6.469 0.000 -3.720) 7.462 10.618 ( 10.425 0.000 4.021) 11.173 10.835 ( 4.944 0.000 1.859) 5.282 10.851 ( -11.468 0.000 2.736) 11.789 10.925 ( -3.352 0.000 3.639) 4.948 11.529 ( 8.952 0.000 -8.648) 12.447 11.620 ( 17.707 0.000 -4.169) 18.191 11.715 ( -8.802 0.000 -4.230) 9.765 11.926 ( -11.467 0.000 -5.037) 12.525 12.399 ( 6.525 0.000 2.035) 6.835 12.550 ( -7.236 0.000 -0.988) 7.303 12.556 ( 2.803 0.000 -2.320) 3.638 12.705 ( -9.339 0.000 -3.614) 10.014 12.821 ( 2.156 0.000 -0.478) 2.209 12.840 ( -1.133 0.000 2.733) 2.959 12.847 ( -0.034 0.000 0.998) 0.999 12.882 ( -4.027 0.000 -0.458) 4.053 14.564 ( 1.252 0.000 -3.119) 3.360 14.592 ( -1.270 0.000 -2.966) 3.226 14.719 ( 2.782 0.000 -1.829) 3.329 14.776 ( -2.564 0.000 -0.727) 2.665 15.438 ( 9.064 0.000 -1.702) 9.222 15.605 ( -6.366 0.000 -0.996) 6.443 16.002 ( 12.176 0.000 -8.235) 14.699 16.262 ( -12.952 0.000 -0.293) 12.956 20.402 ( 4.348 0.000 2.823) 5.184 20.561 ( -10.717 0.000 3.519) 11.280 20.959 ( 11.515 0.000 -7.793) 13.904 21.207 ( -11.690 0.000 -10.226) 15.532 22.338 ( 7.345 0.000 -5.158) 8.975 22.454 ( -3.816 0.000 -0.258) 3.825 22.508 ( 11.930 0.000 4.723) 12.831 22.768 ( -13.011 0.000 10.817) 16.920 23.071 ( 6.146 0.000 9.219) 11.080 23.207 ( -6.638 0.000 8.313) 10.639 24.418 ( 1.497 0.000 -0.441) 1.561 24.437 ( -0.215 0.000 -0.538) 0.580 24.438 ( 5.711 0.000 -6.228) 8.450 24.501 ( -0.789 0.000 -4.010) 4.087 24.602 ( 8.970 0.000 -4.731) 10.141 24.849 ( -13.518 0.000 -6.873) 15.165 ======================= Grid point 42 (17/60) ======================= q-point: ( 0.00 0.20 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( 0.000 14.567 16.687) 22.151 0.731 ( 0.000 14.934 20.612) 25.454 1.230 ( 0.000 31.425 21.891) 38.298 1.531 ( 0.000 -1.003 11.906) 11.948 1.727 ( 0.000 -0.624 11.918) 11.935 1.874 ( 0.000 -7.874 0.965) 7.933 2.004 ( 0.000 -6.442 8.486) 10.654 2.489 ( 0.000 -7.812 6.813) 10.366 2.521 ( 0.000 -7.383 0.144) 7.384 2.807 ( 0.000 9.077 -2.793) 9.497 2.844 ( 0.000 5.915 4.452) 7.403 2.992 ( 0.000 -16.236 -4.230) 16.778 3.121 ( 0.000 2.354 -10.287) 10.553 3.295 ( 0.000 1.562 -0.871) 1.788 3.395 ( 0.000 3.866 -3.629) 5.303 3.457 ( 0.000 -3.263 2.375) 4.036 3.592 ( 0.000 -8.433 4.963) 9.785 3.645 ( 0.000 -2.599 3.032) 3.993 3.808 ( 0.000 -0.159 1.338) 1.348 3.844 ( 0.000 10.538 -3.059) 10.973 3.983 ( 0.000 3.510 4.118) 5.411 4.097 ( 0.000 15.861 0.926) 15.888 4.197 ( 0.000 -4.637 -2.726) 5.379 4.319 ( 0.000 6.355 0.116) 6.356 4.330 ( 0.000 -5.229 -0.550) 5.258 4.481 ( 0.000 -7.945 -4.738) 9.250 4.639 ( 0.000 4.269 -7.168) 8.343 4.720 ( 0.000 6.418 -0.683) 6.454 4.726 ( 0.000 -1.338 -7.431) 7.551 4.759 ( 0.000 -2.556 -5.488) 6.054 4.954 ( 0.000 -6.057 -4.207) 7.374 5.126 ( 0.000 -2.778 1.932) 3.384 5.134 ( 0.000 -8.467 0.384) 8.475 5.205 ( 0.000 2.389 0.950) 2.571 5.415 ( 0.000 -4.917 7.181) 8.703 5.444 ( 0.000 5.041 6.465) 8.198 5.557 ( 0.000 -5.822 9.560) 11.193 5.619 ( 0.000 -1.860 -2.478) 3.099 5.747 ( 0.000 4.698 1.135) 4.833 5.754 ( 0.000 2.486 7.203) 7.619 6.184 ( 0.000 -1.734 -4.521) 4.843 6.278 ( 0.000 -3.918 1.764) 4.297 6.300 ( 0.000 8.682 0.667) 8.707 6.310 ( 0.000 7.748 -16.246) 17.999 6.816 ( 0.000 2.185 -4.526) 5.026 6.865 ( 0.000 -4.886 -11.325) 12.335 7.051 ( 0.000 13.840 -3.220) 14.209 7.278 ( 0.000 -1.732 6.229) 6.466 7.913 ( 0.000 -0.880 -1.152) 1.450 7.940 ( 0.000 -3.967 -0.480) 3.996 8.422 ( 0.000 1.919 -3.536) 4.023 8.517 ( 0.000 0.136 -5.963) 5.964 8.844 ( 0.000 1.891 10.433) 10.603 9.058 ( 0.000 -5.381 4.312) 6.896 9.392 ( 0.000 8.619 -0.177) 8.621 9.844 ( 0.000 -3.859 -2.672) 4.694 10.305 ( 0.000 5.464 4.375) 7.000 10.464 ( 0.000 1.311 3.734) 3.957 10.620 ( 0.000 -1.832 -2.341) 2.973 10.685 ( 0.000 -3.080 3.532) 4.686 11.023 ( 0.000 2.289 7.779) 8.109 11.356 ( 0.000 -4.929 3.121) 5.834 11.931 ( 0.000 5.516 -0.312) 5.525 12.256 ( 0.000 -4.707 -2.819) 5.487 12.369 ( 0.000 1.791 -0.437) 1.844 12.583 ( 0.000 -0.145 1.330) 1.338 12.631 ( 0.000 -3.945 0.739) 4.014 12.810 ( 0.000 -4.049 1.317) 4.258 12.924 ( 0.000 -0.115 -9.752) 9.752 12.945 ( 0.000 -0.389 3.136) 3.160 13.298 ( 0.000 -3.135 2.882) 4.259 13.375 ( 0.000 -32.958 29.827) 44.451 14.326 ( 0.000 6.107 1.762) 6.356 14.549 ( 0.000 0.615 2.015) 2.107 14.603 ( 0.000 -0.576 0.707) 0.911 14.753 ( 0.000 2.956 -9.334) 9.791 15.035 ( 0.000 0.807 -3.979) 4.060 15.035 ( 0.000 -0.025 4.449) 4.449 15.682 ( 0.000 3.706 -9.869) 10.542 16.421 ( 0.000 -40.013 19.861) 44.671 20.537 ( 0.000 -0.568 -1.319) 1.436 20.824 ( 0.000 -6.359 -0.197) 6.362 21.359 ( 0.000 16.989 -17.681) 24.520 21.715 ( 0.000 0.010 -16.607) 16.607 21.751 ( 0.000 19.109 -9.212) 21.214 22.103 ( 0.000 25.136 -5.512) 25.734 22.422 ( 0.000 -6.009 13.330) 14.622 22.848 ( 0.000 -1.698 8.838) 8.999 23.346 ( 0.000 -10.272 5.202) 11.514 23.479 ( 0.000 -16.332 17.926) 24.250 23.918 ( 0.000 9.807 -2.103) 10.030 24.296 ( 0.000 -2.539 -0.461) 2.581 24.362 ( 0.000 0.361 -2.547) 2.573 24.383 ( 0.000 -0.062 -4.259) 4.260 24.922 ( 0.000 26.302 -27.960) 38.387 25.385 ( 0.000 -1.271 -11.351) 11.422 ======================= Grid point 43 (18/60) ======================= q-point: ( 0.14 0.20 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 12.333 14.051 9.723) 21.073 0.866 ( 13.403 10.748 12.581) 21.294 1.483 ( 17.739 20.378 12.964) 29.967 1.617 ( 7.909 -3.893 3.762) 9.584 1.876 ( 5.112 -3.802 -0.532) 6.393 1.949 ( 13.747 -7.686 11.299) 19.383 2.158 ( 12.750 -2.752 9.370) 16.060 2.463 ( -1.966 -6.838 4.954) 8.670 2.583 ( 0.292 -4.943 0.090) 4.952 2.802 ( -2.985 4.087 4.095) 6.510 2.859 ( 2.447 1.832 -4.815) 5.703 2.969 ( -3.705 -5.968 -3.543) 7.867 3.075 ( -3.717 -0.206 -7.245) 8.146 3.241 ( -4.770 0.777 -3.066) 5.724 3.443 ( 2.042 -0.058 -2.159) 2.972 3.485 ( 5.617 -2.102 2.267) 6.412 3.587 ( 0.400 -3.205 2.237) 3.929 3.679 ( 2.861 -2.072 4.999) 6.122 3.803 ( -0.249 1.060 0.184) 1.105 3.870 ( 2.090 6.784 -0.241) 7.103 4.036 ( 3.164 4.683 0.142) 5.653 4.078 ( -2.123 10.191 -0.284) 10.413 4.216 ( 2.560 -2.710 -3.641) 5.211 4.267 ( -7.322 1.941 -0.114) 7.576 4.306 ( -2.502 3.909 0.607) 4.681 4.407 ( 2.990 -2.948 -5.443) 6.875 4.609 ( -10.029 -1.987 -1.631) 10.353 4.681 ( 1.456 2.692 -5.149) 5.990 4.709 ( -0.680 -2.740 -4.529) 5.337 4.911 ( -1.623 -0.838 -6.703) 6.948 4.955 ( 10.231 -3.662 -4.440) 11.738 5.070 ( -1.711 -4.037 3.176) 5.414 5.158 ( -0.332 -7.196 3.982) 8.232 5.232 ( 1.652 1.762 -3.804) 4.506 5.314 ( -3.784 -2.792 10.434) 11.445 5.456 ( -3.567 2.480 4.285) 6.102 5.576 ( -1.456 -2.026 0.262) 2.509 5.619 ( 2.679 -0.554 6.248) 6.821 5.682 ( -1.621 5.011 5.970) 7.961 5.722 ( -1.641 4.860 1.265) 5.283 6.177 ( -4.597 2.624 -5.712) 7.787 6.219 ( -1.984 3.289 -8.109) 8.973 6.262 ( -2.629 3.523 -2.600) 5.108 6.428 ( 4.711 -2.824 -1.347) 5.655 6.697 ( -10.727 4.583 0.927) 11.702 6.848 ( -4.777 0.562 -1.082) 4.930 6.891 ( -4.453 -0.316 -1.915) 4.858 7.255 ( -1.843 -2.089 3.496) 4.470 7.850 ( -2.564 -2.524 -1.411) 3.864 7.974 ( 2.554 1.467 1.210) 3.184 8.391 ( -5.239 1.137 -0.130) 5.363 8.510 ( -1.146 -0.319 -3.319) 3.525 8.898 ( 6.977 -0.049 2.696) 7.480 9.131 ( 6.451 -4.042 2.525) 8.021 9.436 ( 2.394 7.522 0.642) 7.920 9.836 ( -0.617 -3.651 -1.452) 3.978 10.331 ( 2.769 3.832 4.286) 6.381 10.628 ( 2.323 -2.496 -1.256) 3.634 10.843 ( 14.733 -0.929 -0.690) 14.779 10.904 ( 22.531 -1.282 -14.352) 26.744 11.023 ( 0.581 1.699 6.484) 6.728 11.310 ( -3.667 -2.721 2.928) 5.425 11.938 ( 0.097 3.468 -0.872) 3.577 12.216 ( -3.710 -3.693 -3.106) 6.087 12.351 ( -3.034 1.387 2.397) 4.108 12.568 ( 0.514 -1.544 -0.846) 1.834 12.639 ( 0.047 -3.753 -0.128) 3.755 12.724 ( -4.279 -3.453 -1.189) 5.626 12.905 ( -3.280 0.494 2.055) 3.902 12.977 ( 1.453 -0.097 -4.497) 4.727 13.064 ( -13.324 -6.418 12.281) 19.223 13.264 ( -7.707 -2.739 2.380) 8.519 14.507 ( 7.216 -4.252 -1.342) 8.482 14.547 ( 0.400 0.623 0.258) 0.784 14.609 ( 0.566 -0.770 0.378) 1.028 14.879 ( -3.894 -5.700 5.650) 8.920 15.096 ( 11.074 -3.263 -5.107) 12.624 15.174 ( 15.184 -3.194 -10.034) 18.478 15.713 ( 2.882 2.877 -9.536) 10.369 16.435 ( 0.041 -29.408 14.426) 32.756 20.575 ( 3.687 -0.432 -2.314) 4.374 20.724 ( -8.982 9.309 -0.375) 12.941 21.165 ( -10.538 2.242 -9.471) 14.345 21.606 ( -10.031 10.687 -7.949) 16.674 21.895 ( 7.720 1.499 -8.165) 11.336 22.119 ( 4.962 8.117 -1.283) 9.599 22.530 ( 5.941 3.220 1.566) 6.937 22.841 ( -0.684 -4.271 9.448) 10.391 23.311 ( -4.930 -6.461 11.611) 14.173 23.367 ( -5.310 -5.530 11.103) 13.493 24.068 ( 9.862 2.264 -3.484) 10.702 24.318 ( 1.934 -2.141 -0.489) 2.926 24.390 ( 2.609 0.432 -2.980) 3.984 24.410 ( 2.323 0.051 -4.052) 4.671 24.771 ( -9.436 21.642 -15.220) 28.090 25.325 ( -6.799 -1.394 -10.067) 12.228 ======================= Grid point 44 (19/60) ======================= q-point: ( 0.29 0.20 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( 19.831 7.315 0.761) 21.151 1.217 ( 19.355 2.845 7.722) 21.032 1.816 ( 12.403 -4.586 -1.100) 13.269 1.862 ( 13.543 1.584 -4.703) 14.423 1.988 ( 6.871 -0.639 -6.779) 9.673 2.157 ( -0.070 -9.916 2.031) 10.122 2.405 ( 7.367 2.739 9.394) 12.248 2.494 ( -2.062 -0.651 4.129) 4.661 2.597 ( 9.975 0.323 8.225) 12.933 2.729 ( -3.518 4.105 -1.849) 5.714 2.856 ( -5.003 -3.118 -2.786) 6.520 2.865 ( 2.788 0.369 6.676) 7.244 3.005 ( -3.487 2.270 -5.108) 6.588 3.097 ( -7.576 2.952 -1.793) 8.326 3.450 ( -1.632 -7.190 -0.177) 7.375 3.594 ( 1.890 0.156 0.822) 2.067 3.621 ( 1.649 1.143 3.267) 3.834 3.702 ( -3.335 3.366 -4.092) 6.261 3.855 ( 5.017 1.680 2.992) 6.078 3.922 ( 3.674 -1.365 2.027) 4.412 3.989 ( -3.041 2.666 -0.726) 4.109 4.083 ( -2.232 6.707 -0.290) 7.075 4.146 ( -4.756 3.353 5.854) 8.254 4.226 ( -1.241 2.757 3.447) 4.585 4.315 ( -1.675 -2.703 -2.781) 4.225 4.418 ( 1.203 2.452 -10.398) 10.751 4.459 ( 0.714 1.046 -4.542) 4.716 4.697 ( 0.848 -3.950 -1.325) 4.252 4.752 ( 2.874 -2.709 -11.073) 11.756 4.903 ( -2.179 -5.526 -1.468) 6.119 4.952 ( 2.064 4.423 1.623) 5.144 5.108 ( -4.381 -4.835 4.319) 7.824 5.173 ( -0.017 0.554 -0.612) 0.826 5.269 ( 2.718 -2.661 -1.492) 4.086 5.321 ( 3.675 -5.510 1.754) 6.851 5.415 ( 3.929 0.776 6.831) 7.919 5.544 ( -6.400 1.356 -2.774) 7.106 5.576 ( -1.688 0.024 0.766) 1.853 5.594 ( -2.446 7.463 3.490) 8.594 5.833 ( 4.982 -0.291 8.156) 9.562 6.015 ( -6.785 1.837 -9.159) 11.545 6.104 ( -7.706 4.311 1.338) 8.931 6.282 ( 2.116 -0.800 -2.797) 3.597 6.411 ( -7.670 -0.809 2.463) 8.096 6.464 ( -8.594 0.680 7.344) 11.325 6.667 ( -8.949 0.073 4.757) 10.135 6.935 ( 5.181 0.937 -5.804) 7.836 7.227 ( -1.355 -3.423 -1.018) 3.820 7.839 ( 1.667 -1.859 -1.958) 3.173 8.050 ( 4.642 1.191 1.811) 5.123 8.241 ( -7.807 1.177 1.687) 8.074 8.453 ( -4.314 -0.730 -0.199) 4.379 9.089 ( 9.888 -0.020 -2.295) 10.151 9.297 ( 8.086 -2.601 -0.147) 8.495 9.476 ( 1.744 6.138 -1.144) 6.483 9.802 ( -2.932 -2.751 -2.016) 4.498 10.422 ( 5.885 0.281 4.032) 7.140 10.691 ( 3.085 -4.060 2.062) 5.501 10.970 ( -1.898 1.421 1.801) 2.978 11.118 ( -3.331 3.096 -0.313) 4.558 11.241 ( 18.114 1.571 -0.865) 18.203 11.357 ( 10.745 1.397 -11.348) 15.691 11.893 ( -5.075 1.721 -2.146) 5.772 12.101 ( -7.252 -2.113 -3.910) 8.505 12.294 ( -0.125 -0.299 3.497) 3.512 12.579 ( -2.194 -6.525 -2.134) 7.207 12.609 ( -2.019 1.370 -3.809) 4.523 12.696 ( 1.416 -3.493 0.074) 3.770 12.847 ( -1.241 1.577 -0.464) 2.059 12.879 ( -4.529 0.432 4.268) 6.238 12.946 ( -4.128 0.036 -0.884) 4.221 13.075 ( -9.654 1.562 -0.335) 9.785 14.544 ( 0.388 -0.303 -1.394) 1.479 14.595 ( 0.305 -1.052 -1.118) 1.565 14.645 ( 3.013 -1.557 -1.402) 3.670 14.795 ( -2.831 -3.947 0.746) 4.914 15.245 ( 7.256 -0.594 -2.336) 7.646 15.474 ( 7.489 -13.983 -3.743) 16.298 15.813 ( 7.233 3.125 -11.568) 13.996 16.380 ( -5.511 -12.671 6.112) 15.109 20.542 ( -6.333 12.725 0.850) 14.239 20.669 ( 2.820 -2.459 -1.407) 3.997 20.955 ( -7.256 6.091 -3.471) 10.090 21.416 ( -8.681 -0.335 -8.897) 12.435 22.021 ( 6.304 -6.294 1.595) 9.050 22.255 ( 5.199 -1.864 -2.144) 5.925 22.617 ( 2.839 6.663 -3.724) 8.144 22.816 ( -1.971 -7.402 9.465) 12.177 23.183 ( -4.607 6.515 13.298) 15.509 23.292 ( -3.483 -3.908 7.542) 9.181 24.257 ( 8.125 -0.142 -4.341) 9.213 24.367 ( 2.488 -1.271 -0.579) 2.853 24.456 ( 2.671 0.723 -3.923) 4.801 24.472 ( 4.009 0.463 -4.028) 5.702 24.626 ( -4.436 12.128 -5.788) 14.152 25.112 ( -12.641 -1.995 -7.873) 15.025 ======================= Grid point 45 (20/60) ======================= q-point: ( 0.43 0.20 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( 17.295 1.309 1.331) 17.396 1.633 ( 17.392 -1.920 3.794) 17.904 1.898 ( -9.600 -4.523 -2.595) 10.925 2.027 ( -8.614 -9.653 -0.250) 12.940 2.077 ( 4.264 2.344 -3.503) 5.996 2.089 ( 6.828 -2.924 -6.612) 9.944 2.470 ( -1.980 3.920 -4.493) 6.282 2.529 ( 4.258 -0.515 -5.948) 7.333 2.645 ( -2.546 4.768 -6.608) 8.537 2.696 ( 0.481 1.137 1.755) 2.145 2.838 ( 3.283 0.791 1.124) 3.559 2.887 ( -2.212 3.492 -4.167) 5.870 3.001 ( 2.896 2.421 4.287) 5.712 3.101 ( 2.295 -0.576 9.359) 9.653 3.400 ( -0.168 -8.676 4.356) 9.709 3.501 ( -7.825 -4.384 1.560) 9.104 3.640 ( 2.668 6.364 -0.031) 6.900 3.695 ( 3.283 5.520 2.062) 6.746 3.824 ( -4.965 3.181 -0.151) 5.899 3.908 ( -10.288 9.730 8.449) 16.489 3.988 ( 2.786 -0.569 -0.276) 2.857 4.033 ( 0.472 0.511 2.148) 2.258 4.123 ( 3.268 1.484 4.594) 5.830 4.193 ( -2.468 -0.183 0.070) 2.476 4.316 ( 2.045 -0.146 0.163) 2.057 4.372 ( -2.327 -0.309 -1.653) 2.871 4.628 ( 7.995 -3.273 -4.061) 9.546 4.767 ( -1.700 -2.846 -5.622) 6.526 4.773 ( 4.544 -3.759 -3.463) 6.839 4.879 ( 0.763 -1.046 -3.085) 3.346 4.999 ( -2.650 -1.072 -4.432) 5.274 5.006 ( -0.023 2.341 -0.653) 2.431 5.168 ( 2.269 2.051 -5.759) 6.520 5.274 ( -1.287 2.070 4.174) 4.833 5.326 ( -5.276 1.975 -1.203) 5.760 5.400 ( -7.854 5.975 3.423) 10.445 5.510 ( 6.171 -5.972 -4.474) 9.684 5.600 ( 4.590 -2.986 4.165) 6.880 5.689 ( 6.876 -5.775 2.890) 9.433 5.763 ( -4.853 -0.986 -4.343) 6.587 5.950 ( -2.463 3.138 4.924) 6.337 6.058 ( -0.399 -2.337 7.428) 7.797 6.141 ( -5.953 -0.442 7.663) 9.714 6.268 ( -9.714 1.533 8.120) 12.754 6.410 ( 4.765 3.542 -1.046) 6.029 6.519 ( -5.591 2.093 0.625) 6.003 7.062 ( 6.177 0.014 -4.423) 7.598 7.173 ( -4.060 -2.211 -3.295) 5.677 7.919 ( 5.695 -1.126 -0.981) 5.887 8.060 ( -6.974 -0.671 1.738) 7.218 8.190 ( 6.216 1.410 -0.128) 6.375 8.335 ( -6.720 0.037 0.576) 6.745 9.276 ( 7.352 1.352 -1.834) 7.697 9.377 ( -1.599 1.309 0.238) 2.080 9.564 ( 7.047 0.611 -4.768) 8.530 9.709 ( -5.962 -1.707 -3.602) 7.172 10.568 ( 7.637 -3.712 3.586) 9.218 10.703 ( -3.544 -7.111 3.969) 8.881 10.938 ( 0.891 4.480 0.837) 4.644 11.010 ( -4.968 5.405 3.601) 8.176 11.553 ( 9.697 2.000 -8.714) 13.190 11.634 ( 14.900 1.603 -5.844) 16.086 11.746 ( -7.455 2.776 -4.345) 9.064 11.918 ( -10.519 -0.904 -4.971) 11.669 12.350 ( 4.804 -3.346 1.170) 5.970 12.475 ( -6.471 -6.057 -0.608) 8.885 12.611 ( 3.365 4.130 -1.734) 5.603 12.711 ( -2.592 0.111 -3.282) 4.184 12.833 ( -1.468 -0.310 1.402) 2.053 12.834 ( -3.473 0.610 1.486) 3.827 12.856 ( 1.388 1.270 0.295) 1.904 12.913 ( -4.599 2.242 0.619) 5.153 14.558 ( 1.030 -0.507 -2.892) 3.112 14.583 ( -1.102 -0.680 -2.609) 2.912 14.702 ( 2.489 -2.002 -1.775) 3.654 14.750 ( -2.037 -2.785 -1.258) 3.672 15.401 ( 6.952 -3.232 -1.315) 7.779 15.508 ( -2.686 -8.320 -0.275) 8.748 16.004 ( 10.206 0.109 -7.553) 12.697 16.216 ( -9.519 -3.614 -0.727) 10.208 20.488 ( 1.334 7.607 2.495) 8.116 20.587 ( -7.212 2.664 2.991) 8.250 21.003 ( 8.964 3.828 -7.555) 12.332 21.216 ( -10.364 0.805 -8.797) 13.617 22.169 ( 7.154 -12.034 4.087) 14.584 22.283 ( -2.698 -10.048 2.374) 10.671 22.676 ( 3.226 6.422 -2.676) 7.669 22.753 ( -3.767 -0.467 4.020) 5.529 23.152 ( 1.390 6.167 10.585) 12.329 23.213 ( -3.795 0.792 8.997) 9.796 24.396 ( 3.979 -1.194 -2.148) 4.677 24.412 ( 1.406 -0.605 -0.673) 1.672 24.498 ( 1.853 2.360 -4.887) 5.735 24.539 ( -1.053 3.376 -5.498) 6.537 24.613 ( 6.750 1.769 -3.650) 7.875 24.835 ( -12.866 -1.514 -6.601) 14.539 ======================= Grid point 49 (21/60) ======================= q-point: ( 0.00 0.40 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 0.000 17.287 8.625) 19.319 1.057 ( 0.000 15.620 12.838) 20.218 1.407 ( 0.000 -10.342 8.164) 13.175 1.503 ( 0.000 -13.190 8.829) 15.872 1.798 ( 0.000 1.156 6.501) 6.603 1.809 ( 0.000 7.370 8.759) 11.447 2.042 ( 0.000 20.762 13.426) 24.724 2.383 ( 0.000 -2.016 5.093) 5.477 2.408 ( 0.000 -4.063 1.437) 4.309 2.567 ( 0.000 -26.468 3.997) 26.768 2.978 ( 0.000 8.490 0.297) 8.495 3.057 ( 0.000 16.180 -0.870) 16.203 3.118 ( 0.000 -4.239 -6.605) 7.848 3.364 ( 0.000 -10.877 -1.520) 10.982 3.374 ( 0.000 5.406 -1.895) 5.729 3.402 ( 0.000 -1.587 3.141) 3.519 3.440 ( 0.000 -7.282 6.548) 9.794 3.482 ( 0.000 -7.249 0.078) 7.250 3.899 ( 0.000 9.592 -4.580) 10.630 4.050 ( 0.000 10.178 -4.006) 10.938 4.085 ( 0.000 -7.578 -4.350) 8.738 4.128 ( 0.000 7.428 3.178) 8.080 4.247 ( 0.000 -2.872 0.363) 2.895 4.269 ( 0.000 -8.593 -3.839) 9.411 4.403 ( 0.000 12.818 -0.828) 12.845 4.459 ( 0.000 4.145 1.557) 4.428 4.657 ( 0.000 -5.846 -1.732) 6.097 4.679 ( 0.000 -5.814 1.208) 5.939 4.737 ( 0.000 0.174 -10.919) 10.920 4.744 ( 0.000 -4.654 -8.861) 10.009 4.836 ( 0.000 6.387 -0.950) 6.457 4.973 ( 0.000 -7.898 0.339) 7.905 5.214 ( 0.000 7.903 7.085) 10.614 5.265 ( 0.000 3.312 2.235) 3.996 5.349 ( 0.000 -3.030 3.365) 4.528 5.397 ( 0.000 -8.300 10.035) 13.022 5.531 ( 0.000 2.542 2.152) 3.331 5.575 ( 0.000 -2.316 0.247) 2.329 5.819 ( 0.000 3.084 6.027) 6.770 5.829 ( 0.000 2.623 1.885) 3.230 6.148 ( 0.000 -1.388 -3.274) 3.556 6.171 ( 0.000 -4.379 0.516) 4.409 6.487 ( 0.000 10.166 -16.718) 19.566 6.519 ( 0.000 10.640 -3.404) 11.171 6.726 ( 0.000 -8.531 -11.820) 14.577 6.745 ( 0.000 -7.008 -0.732) 7.046 7.223 ( 0.000 3.538 -0.024) 3.538 7.252 ( 0.000 -0.908 6.019) 6.087 7.889 ( 0.000 -0.954 -0.485) 1.070 7.893 ( 0.000 -0.929 -1.183) 1.504 8.466 ( 0.000 2.399 -3.618) 4.341 8.505 ( 0.000 -1.433 -4.435) 4.661 8.894 ( 0.000 3.232 8.862) 9.433 8.965 ( 0.000 -4.283 6.642) 7.903 9.566 ( 0.000 9.221 -0.794) 9.255 9.731 ( 0.000 -7.632 -1.584) 7.795 10.422 ( 0.000 6.135 2.397) 6.587 10.495 ( 0.000 0.601 1.771) 1.870 10.568 ( 0.000 -2.193 2.489) 3.317 10.608 ( 0.000 -4.325 4.097) 5.958 11.104 ( 0.000 6.016 5.140) 7.913 11.235 ( 0.000 -7.120 3.698) 8.023 12.054 ( 0.000 6.394 -3.268) 7.181 12.159 ( 0.000 -4.948 -4.563) 6.731 12.427 ( 0.000 4.712 3.736) 6.013 12.554 ( 0.000 -6.229 4.870) 7.907 12.585 ( 0.000 0.489 1.719) 1.788 12.630 ( 0.000 -7.055 6.842) 9.828 12.925 ( 0.000 0.322 -5.889) 5.898 12.935 ( 0.000 -0.601 -0.877) 1.063 13.163 ( 0.000 1.187 11.191) 11.254 13.225 ( 0.000 -4.076 5.607) 6.932 14.478 ( 0.000 9.048 1.250) 9.134 14.562 ( 0.000 0.589 1.435) 1.551 14.590 ( 0.000 -0.602 1.280) 1.415 14.668 ( 0.000 -8.366 0.558) 8.385 15.050 ( 0.000 0.636 -3.787) 3.840 15.051 ( 0.000 0.695 -3.721) 3.785 15.787 ( 0.000 7.380 -6.838) 10.061 15.976 ( 0.000 -13.400 1.881) 13.531 20.562 ( 0.000 3.889 -0.089) 3.890 20.680 ( 0.000 -7.725 0.141) 7.727 21.600 ( 0.000 8.602 -16.578) 18.677 21.698 ( 0.000 -2.361 -17.006) 17.169 21.992 ( 0.000 12.453 3.364) 12.899 22.242 ( 0.000 -12.326 8.235) 14.824 22.530 ( 0.000 16.694 -3.252) 17.008 22.766 ( 0.000 -8.071 6.110) 10.123 23.212 ( 0.000 -2.162 9.540) 9.782 23.265 ( 0.000 -6.974 15.996) 17.450 24.093 ( 0.000 8.091 -1.283) 8.192 24.221 ( 0.000 -5.307 -0.785) 5.365 24.371 ( 0.000 0.509 -3.075) 3.117 24.379 ( 0.000 -0.307 -3.693) 3.706 25.234 ( 0.000 9.043 -21.378) 23.212 25.343 ( 0.000 -3.416 -14.610) 15.004 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.14 0.40 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 8.051 15.051 6.031) 18.103 1.106 ( 5.496 12.527 7.812) 15.753 1.449 ( 5.473 -11.057 3.707) 12.882 1.560 ( 4.728 -12.490 2.375) 13.564 1.875 ( 8.302 0.584 6.631) 10.641 2.028 ( 15.376 8.166 5.455) 18.245 2.164 ( 9.084 13.374 10.087) 19.056 2.392 ( 3.709 -1.192 6.560) 7.630 2.489 ( 3.732 -3.584 3.625) 6.318 2.627 ( 5.280 -18.457 4.008) 19.611 2.940 ( -2.460 6.023 0.117) 6.507 3.046 ( -7.054 7.082 -5.833) 11.573 3.087 ( -0.752 2.369 -2.060) 3.228 3.246 ( -4.141 -0.760 -2.813) 5.064 3.360 ( -2.323 -3.888 -0.775) 4.594 3.463 ( 5.254 -7.456 4.351) 10.106 3.507 ( 6.115 -2.812 2.396) 7.144 3.572 ( 5.247 -2.857 8.129) 10.088 3.903 ( -0.437 8.634 -5.446) 10.217 3.999 ( -3.893 3.906 -2.389) 6.010 4.105 ( 2.463 -1.986 -3.466) 4.693 4.177 ( -4.249 -0.521 -0.584) 4.321 4.211 ( 3.400 1.729 -2.754) 4.705 4.276 ( -0.611 1.744 -1.448) 2.348 4.374 ( -0.773 2.835 -3.849) 4.843 4.450 ( -0.372 6.106 -0.437) 6.133 4.577 ( -5.803 -1.217 2.411) 6.401 4.632 ( 0.221 -1.565 -7.841) 7.999 4.735 ( -0.003 -7.355 -2.004) 7.623 4.786 ( -2.752 0.225 -5.464) 6.122 4.911 ( 3.486 -1.460 -0.904) 3.886 4.967 ( 0.036 -4.823 2.322) 5.353 5.159 ( 0.951 3.205 2.243) 4.026 5.246 ( -1.668 -0.124 4.699) 4.988 5.316 ( 0.494 1.814 2.844) 3.409 5.456 ( -0.738 -3.979 2.263) 4.637 5.503 ( -2.861 -0.926 -0.075) 3.009 5.652 ( 6.459 1.910 8.435) 10.794 5.731 ( -5.055 0.858 -0.214) 5.132 5.814 ( -1.722 3.037 3.015) 4.613 6.180 ( 1.241 0.019 -2.575) 2.859 6.220 ( 1.882 -4.235 -2.221) 5.139 6.358 ( -9.765 7.910 -13.440) 18.400 6.473 ( -4.225 2.825 -3.209) 6.011 6.661 ( -5.293 -4.087 -0.592) 6.713 6.835 ( 5.685 -1.871 -7.271) 9.417 6.939 ( -16.309 2.441 6.987) 17.910 7.227 ( -4.878 -0.596 5.683) 7.513 7.814 ( -2.320 -1.010 -3.504) 4.322 7.992 ( 3.975 0.437 2.946) 4.967 8.416 ( -5.021 1.139 -1.747) 5.437 8.498 ( -1.755 -0.668 -1.631) 2.487 8.899 ( 4.795 0.148 0.660) 4.843 9.076 ( 8.346 -1.534 5.570) 10.150 9.589 ( 1.331 8.053 -0.163) 8.164 9.735 ( 0.122 -6.713 -0.763) 6.757 10.421 ( 0.140 4.810 1.898) 5.173 10.556 ( 2.520 -4.345 1.788) 5.332 10.830 ( 20.209 -0.261 -2.442) 20.358 10.869 ( 21.568 -1.736 -5.128) 22.237 11.084 ( -1.131 3.957 2.839) 5.000 11.234 ( -0.281 -4.352 5.131) 6.734 12.022 ( -2.968 4.358 -4.231) 6.760 12.138 ( -2.052 -3.715 -3.515) 5.511 12.375 ( -3.799 0.796 3.517) 5.238 12.512 ( -4.398 -3.025 4.287) 6.846 12.598 ( 2.162 -0.575 1.461) 2.671 12.639 ( 0.626 -2.970 3.420) 4.573 12.916 ( -1.666 0.643 -0.608) 1.887 12.943 ( -0.243 -1.757 -3.399) 3.833 13.066 ( -5.580 3.460 5.110) 8.320 13.176 ( -5.502 -4.938 3.725) 8.278 14.495 ( 2.508 2.221 0.414) 3.376 14.564 ( 1.012 0.908 -0.957) 1.663 14.588 ( 0.507 -1.244 1.581) 2.075 14.752 ( -0.395 -5.588 6.195) 8.353 15.043 ( 8.032 -1.249 -6.962) 10.702 15.166 ( 4.730 0.418 -1.171) 4.891 15.764 ( 0.947 1.882 -10.041) 10.259 16.106 ( 8.072 -7.439 3.025) 11.386 20.596 ( 3.233 3.208 -1.055) 4.675 20.720 ( 2.503 -5.280 0.644) 5.879 21.257 ( -17.252 4.088 -14.019) 22.602 21.754 ( -15.236 4.121 0.364) 15.788 21.946 ( 5.345 2.615 -6.075) 8.504 22.214 ( -0.949 1.573 5.927) 6.205 22.601 ( 3.777 4.237 -4.190) 7.055 22.739 ( -1.151 -5.637 5.175) 7.738 23.191 ( 0.213 -3.898 9.260) 10.050 23.303 ( 0.761 -1.479 13.987) 14.085 24.156 ( 5.273 5.381 -1.781) 7.741 24.257 ( 3.119 -4.088 -0.770) 5.199 24.400 ( 2.583 0.473 -3.288) 4.208 24.408 ( 2.570 -0.211 -3.720) 4.526 25.066 ( -11.599 8.551 -16.607) 21.987 25.287 ( -7.445 -2.229 -11.829) 14.153 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.29 0.40 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 11.327 4.889 3.197) 12.744 1.327 ( 15.059 9.059 2.365) 17.732 1.636 ( 10.554 -9.306 -1.698) 14.173 1.685 ( 7.027 -10.660 -5.260) 13.808 2.031 ( 3.744 -2.788 -1.493) 4.901 2.255 ( 6.246 15.631 -0.047) 16.833 2.387 ( 5.531 -1.826 8.935) 10.665 2.490 ( 4.516 -0.817 4.572) 6.478 2.585 ( 8.864 -4.164 3.465) 10.389 2.756 ( 5.270 0.120 1.363) 5.445 2.865 ( -5.649 3.079 -3.088) 7.136 2.925 ( 2.670 3.198 5.391) 6.813 3.030 ( -4.791 0.084 -4.875) 6.836 3.137 ( -8.263 3.121 0.017) 8.832 3.283 ( -3.296 -7.733 -0.585) 8.426 3.553 ( 1.275 -3.150 4.197) 5.400 3.682 ( 7.537 3.344 4.613) 9.448 3.733 ( 9.630 -1.526 5.394) 11.143 3.857 ( -0.518 1.302 0.158) 1.410 3.896 ( -6.499 -1.177 -2.089) 6.927 4.085 ( -3.494 3.335 -4.621) 6.684 4.131 ( -4.915 0.067 -4.193) 6.460 4.225 ( 3.362 -0.902 2.522) 4.299 4.234 ( -3.644 4.505 0.979) 5.877 4.352 ( -3.528 3.276 1.026) 4.923 4.445 ( -3.565 -2.194 1.275) 4.376 4.513 ( 2.112 5.776 -7.711) 9.863 4.652 ( 1.103 0.674 -1.941) 2.332 4.730 ( 3.603 -0.171 -11.350) 11.909 4.782 ( 1.937 -5.186 -2.586) 6.110 4.918 ( -0.760 -8.498 3.574) 9.250 5.011 ( 4.166 0.148 2.117) 4.676 5.208 ( -1.065 -1.106 2.902) 3.283 5.275 ( 6.181 3.637 2.074) 7.466 5.301 ( -2.551 1.792 -3.156) 4.436 5.415 ( 0.539 -0.139 3.886) 3.926 5.478 ( -0.545 -4.572 -0.647) 4.650 5.590 ( -5.613 0.835 -3.298) 6.563 5.705 ( -4.855 2.070 4.840) 7.161 5.864 ( 4.883 2.202 7.608) 9.304 6.054 ( -9.675 2.200 -8.564) 13.107 6.114 ( -10.787 -2.597 -4.387) 11.931 6.258 ( -1.287 0.028 -0.210) 1.304 6.419 ( -3.139 -0.364 4.371) 5.394 6.503 ( -6.735 2.909 3.315) 8.050 6.663 ( -8.738 -0.454 5.948) 10.580 6.960 ( 5.657 1.293 -5.160) 7.766 7.159 ( -1.604 -2.707 1.897) 3.674 7.807 ( 2.008 -1.079 -4.407) 4.962 8.068 ( 3.491 0.558 5.308) 6.378 8.266 ( -7.826 0.969 -1.447) 8.017 8.438 ( -3.897 -0.646 1.791) 4.337 9.088 ( 11.010 -0.091 -4.425) 11.867 9.267 ( 8.997 -0.667 1.855) 9.211 9.600 ( -0.503 6.487 -1.355) 6.646 9.721 ( -1.636 -5.435 -1.470) 5.864 10.444 ( 2.376 1.671 1.673) 3.352 10.604 ( 1.574 -3.745 5.361) 6.726 11.011 ( -1.741 1.872 -1.262) 2.851 11.158 ( -0.316 0.944 0.995) 1.407 11.282 ( 16.204 2.237 -3.271) 16.681 11.363 ( 17.658 -0.846 -9.335) 19.992 11.934 ( -5.359 1.977 -5.041) 7.618 12.056 ( -6.176 -2.049 -3.210) 7.256 12.306 ( -1.786 1.607 2.221) 3.272 12.429 ( -3.233 -6.313 2.370) 7.478 12.636 ( 1.255 0.935 -0.794) 1.754 12.669 ( 2.497 -0.407 0.231) 2.541 12.874 ( -2.048 1.137 -0.737) 2.456 12.890 ( -2.941 0.108 1.678) 3.388 12.964 ( -5.696 2.277 0.117) 6.136 13.048 ( -5.499 -3.573 0.572) 6.583 14.527 ( 0.789 -0.874 -0.342) 1.226 14.596 ( 0.170 0.164 -0.510) 0.562 14.620 ( 2.455 0.748 -0.363) 2.592 14.701 ( -1.923 -5.047 0.062) 5.401 15.233 ( 7.055 -0.432 -1.277) 7.183 15.278 ( 6.483 -5.018 -0.734) 8.231 15.848 ( 6.373 0.822 -11.058) 12.790 16.215 ( 1.381 -4.117 2.174) 4.856 20.663 ( 0.774 1.989 -0.567) 2.208 20.718 ( -2.735 2.967 1.527) 4.314 21.012 ( -4.357 0.812 -10.596) 11.486 21.430 ( -12.568 1.210 1.673) 12.737 21.984 ( -0.214 1.279 1.438) 1.937 22.191 ( -2.512 -3.690 4.628) 6.430 22.658 ( 2.787 -0.904 -4.305) 5.207 22.753 ( 1.526 -0.135 0.044) 1.533 23.211 ( 1.081 -1.615 9.265) 9.467 23.284 ( -1.899 1.839 12.028) 12.315 24.278 ( 5.899 1.792 -2.591) 6.687 24.335 ( 3.836 -1.878 -0.878) 4.360 24.466 ( 3.253 0.272 -3.974) 5.142 24.478 ( 3.985 0.197 -3.881) 5.565 24.839 ( -9.277 8.131 -9.739) 15.717 25.055 ( -13.195 -3.398 -7.629) 15.615 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.43 0.40 0.12) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 11.894 -0.215 1.922) 12.051 1.638 ( 11.089 2.403 3.139) 11.773 1.738 ( -0.271 -6.766 -2.780) 7.319 1.828 ( 1.380 -7.379 -1.071) 7.583 2.107 ( 5.950 1.125 -9.910) 11.613 2.212 ( -5.114 7.063 -2.577) 9.093 2.449 ( 1.369 -3.718 -4.711) 6.156 2.492 ( -4.629 -1.509 -2.963) 5.699 2.780 ( 2.491 5.875 0.687) 6.419 2.799 ( 0.031 6.978 3.520) 7.815 2.857 ( 4.121 1.756 -0.707) 4.535 2.923 ( -3.687 0.102 -2.994) 4.751 3.018 ( 2.851 -3.597 1.071) 4.713 3.058 ( 3.493 -0.711 6.985) 7.842 3.252 ( 2.596 -5.299 1.730) 6.149 3.446 ( -11.644 -1.373 1.555) 11.827 3.750 ( -0.154 3.283 1.452) 3.593 3.756 ( -1.561 1.379 -2.359) 3.147 3.883 ( 7.400 2.124 4.000) 8.676 4.004 ( -0.733 1.636 -2.485) 3.064 4.027 ( -2.046 -0.184 -0.750) 2.187 4.068 ( 2.834 3.552 9.649) 10.665 4.102 ( -2.439 -0.870 0.390) 2.619 4.245 ( -4.744 3.926 4.962) 7.908 4.309 ( 1.524 -0.066 3.921) 4.207 4.358 ( -3.589 -1.865 3.134) 5.117 4.589 ( 4.873 -0.731 -7.947) 9.350 4.694 ( -2.195 -3.234 -6.376) 7.479 4.762 ( 3.247 2.288 -1.727) 4.331 4.832 ( -1.095 -2.948 0.562) 3.195 4.979 ( 6.820 -1.225 -7.247) 10.026 5.046 ( -1.378 1.415 -0.193) 1.984 5.199 ( 2.764 1.029 -1.398) 3.264 5.305 ( -1.414 -0.207 -5.354) 5.542 5.381 ( 3.797 3.709 0.380) 5.322 5.425 ( -1.178 -1.017 -5.778) 5.984 5.464 ( -3.218 -0.288 0.928) 3.361 5.546 ( 1.960 -1.953 4.783) 5.525 5.573 ( -0.738 -4.693 -0.348) 4.763 5.769 ( -8.501 0.871 2.365) 8.867 5.952 ( -2.398 -2.099 4.226) 5.293 6.016 ( -3.197 -0.127 6.969) 7.668 6.168 ( -0.039 1.350 6.822) 6.954 6.281 ( -7.756 0.083 7.504) 10.792 6.489 ( 2.989 3.355 -1.862) 4.864 6.558 ( -3.254 1.247 0.178) 3.489 7.062 ( 3.941 0.057 -3.030) 4.971 7.125 ( -2.134 -2.010 -1.013) 3.101 7.899 ( 6.357 -0.708 -3.521) 7.301 8.048 ( -6.897 -0.374 0.734) 6.946 8.215 ( 4.635 0.847 0.825) 4.783 8.335 ( -5.751 0.013 2.856) 6.422 9.302 ( 8.620 1.032 -3.091) 9.216 9.399 ( 1.327 0.673 0.441) 1.552 9.588 ( 1.223 1.916 -4.386) 4.940 9.662 ( -3.958 -2.742 -3.140) 5.748 10.518 ( 4.287 -1.189 2.718) 5.214 10.598 ( -2.476 -3.299 5.018) 6.496 11.004 ( 1.920 1.997 0.332) 2.790 11.083 ( -4.698 1.980 3.504) 6.186 11.583 ( 11.675 0.858 -9.018) 14.777 11.672 ( 10.739 1.629 -8.271) 13.652 11.799 ( -6.818 2.118 -5.359) 8.927 11.896 ( -8.587 -1.096 -4.392) 9.707 12.312 ( 1.964 -0.199 0.511) 2.039 12.367 ( -2.872 -4.303 0.382) 5.188 12.675 ( 2.589 1.913 -2.306) 3.960 12.710 ( 0.489 -0.080 -2.214) 2.269 12.830 ( -1.409 0.277 1.610) 2.157 12.848 ( -3.870 0.373 0.700) 3.951 12.877 ( 1.332 0.686 1.470) 2.099 12.941 ( -4.570 0.508 1.823) 4.946 14.548 ( 1.362 -0.396 -2.774) 3.116 14.581 ( -1.508 0.493 -2.949) 3.349 14.654 ( 1.499 -1.924 -0.530) 2.496 14.681 ( -0.879 -3.410 -1.338) 3.767 15.349 ( 3.851 -1.338 -0.586) 4.119 15.374 ( 1.778 -4.291 0.147) 4.647 16.005 ( 8.155 0.017 -6.952) 10.716 16.162 ( -5.875 -1.596 -1.430) 6.253 20.617 ( -1.469 4.042 1.744) 4.641 20.648 ( -3.808 2.801 2.720) 5.454 21.064 ( 7.009 1.753 -8.737) 11.338 21.229 ( -8.104 0.395 -5.139) 9.604 22.008 ( 3.120 -3.758 6.587) 8.200 22.103 ( -5.200 -6.787 7.026) 11.066 22.725 ( 3.005 0.394 -4.571) 5.484 22.766 ( -0.669 0.714 -2.924) 3.084 23.229 ( 0.687 1.004 10.061) 10.134 23.248 ( -1.324 2.493 10.806) 11.168 24.386 ( 3.519 -0.024 -1.803) 3.954 24.400 ( 1.843 -0.517 -1.014) 2.167 24.535 ( 3.774 1.453 -5.708) 6.995 24.567 ( 3.641 -0.122 -5.716) 6.778 24.690 ( -4.024 4.894 -4.507) 7.776 24.789 ( -10.989 -3.177 -5.724) 12.791 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 0.000 0.000 23.395) 23.395 1.103 ( 0.000 0.000 24.080) 24.080 1.496 ( 0.000 0.000 23.972) 23.972 1.828 ( 0.000 0.000 14.211) 14.211 1.989 ( 0.000 0.000 2.885) 2.885 2.066 ( 0.000 0.000 22.445) 22.445 2.287 ( 0.000 0.000 10.615) 10.615 2.594 ( 0.000 0.000 -8.171) 8.171 2.671 ( 0.000 0.000 -16.579) 16.579 2.692 ( 0.000 0.000 5.603) 5.603 2.706 ( 0.000 0.000 4.351) 4.351 2.984 ( 0.000 0.000 13.244) 13.244 3.134 ( 0.000 0.000 -2.723) 2.723 3.247 ( 0.000 0.000 -5.676) 5.676 3.299 ( 0.000 0.000 0.089) 0.089 3.600 ( 0.000 0.000 6.798) 6.798 3.632 ( 0.000 0.000 1.002) 1.002 3.783 ( 0.000 0.000 -0.745) 0.745 3.784 ( 0.000 0.000 4.915) 4.915 3.898 ( 0.000 0.000 3.842) 3.842 3.944 ( 0.000 0.000 -0.191) 0.191 4.057 ( 0.000 0.000 3.466) 3.466 4.188 ( 0.000 0.000 -11.544) 11.544 4.231 ( 0.000 0.000 -1.364) 1.364 4.231 ( 0.000 0.000 0.185) 0.185 4.479 ( 0.000 0.000 -3.056) 3.056 4.528 ( 0.000 0.000 0.136) 0.136 4.566 ( 0.000 0.000 -11.536) 11.536 4.580 ( 0.000 0.000 -4.946) 4.946 4.655 ( 0.000 0.000 -2.984) 2.984 4.827 ( 0.000 0.000 -6.155) 6.155 5.046 ( 0.000 0.000 -7.180) 7.180 5.259 ( 0.000 0.000 1.378) 1.378 5.370 ( 0.000 0.000 2.629) 2.629 5.482 ( 0.000 0.000 6.940) 6.940 5.506 ( 0.000 0.000 -7.481) 7.481 5.542 ( 0.000 0.000 -11.594) 11.594 5.677 ( 0.000 0.000 0.684) 0.684 5.731 ( 0.000 0.000 1.050) 1.050 5.838 ( 0.000 0.000 7.824) 7.824 5.940 ( 0.000 0.000 -7.867) 7.867 6.118 ( 0.000 0.000 -3.346) 3.346 6.202 ( 0.000 0.000 1.857) 1.857 6.478 ( 0.000 0.000 10.441) 10.441 6.706 ( 0.000 0.000 -9.407) 9.407 6.782 ( 0.000 0.000 8.061) 8.061 7.034 ( 0.000 0.000 4.173) 4.173 7.371 ( 0.000 0.000 1.035) 1.035 7.904 ( 0.000 0.000 0.062) 0.062 7.933 ( 0.000 0.000 -2.382) 2.382 8.316 ( 0.000 0.000 -4.457) 4.457 8.335 ( 0.000 0.000 -9.804) 9.804 9.099 ( 0.000 0.000 14.088) 14.088 9.217 ( 0.000 0.000 3.804) 3.804 9.281 ( 0.000 0.000 0.056) 0.056 9.816 ( 0.000 0.000 -3.685) 3.685 10.397 ( 0.000 0.000 8.269) 8.269 10.544 ( 0.000 0.000 3.856) 3.856 10.576 ( 0.000 0.000 -1.448) 1.448 10.781 ( 0.000 0.000 2.371) 2.371 11.212 ( 0.000 0.000 10.355) 10.355 11.496 ( 0.000 0.000 6.189) 6.189 11.863 ( 0.000 0.000 -2.279) 2.279 12.220 ( 0.000 0.000 -5.370) 5.370 12.320 ( 0.000 0.000 -1.687) 1.687 12.651 ( 0.000 0.000 5.781) 5.781 12.662 ( 0.000 0.000 -13.225) 13.225 12.699 ( 0.000 0.000 0.424) 0.424 12.761 ( 0.000 0.000 -2.219) 2.219 13.073 ( 0.000 0.000 7.321) 7.321 13.329 ( 0.000 0.000 -2.048) 2.048 13.907 ( 0.000 0.000 -10.171) 10.171 14.325 ( 0.000 0.000 3.739) 3.739 14.424 ( 0.000 0.000 -2.256) 2.256 14.601 ( 0.000 0.000 0.943) 0.943 14.635 ( 0.000 0.000 2.111) 2.111 14.908 ( 0.000 0.000 -6.743) 6.743 15.340 ( 0.000 0.000 14.982) 14.982 15.364 ( 0.000 0.000 -15.480) 15.480 17.014 ( 0.000 0.000 -21.093) 21.093 20.489 ( 0.000 0.000 0.746) 0.746 20.729 ( 0.000 0.000 -5.094) 5.094 20.886 ( 0.000 0.000 0.257) 0.257 21.396 ( 0.000 0.000 -13.630) 13.630 21.511 ( 0.000 0.000 7.183) 7.183 21.959 ( 0.000 0.000 1.431) 1.431 22.780 ( 0.000 0.000 13.085) 13.085 23.102 ( 0.000 0.000 14.430) 14.430 23.663 ( 0.000 0.000 -7.248) 7.248 23.674 ( 0.000 0.000 11.029) 11.029 23.860 ( 0.000 0.000 3.345) 3.345 24.246 ( 0.000 0.000 -8.601) 8.601 24.281 ( 0.000 0.000 -2.617) 2.617 24.347 ( 0.000 0.000 -1.663) 1.663 24.362 ( 0.000 0.000 -0.940) 0.940 25.099 ( 0.000 0.000 -17.575) 17.575 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.00 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -1.905 0.000 23.951) 24.027 1.152 ( 12.556 0.000 20.688) 24.201 1.603 ( 8.621 0.000 15.633) 17.853 1.814 ( -1.258 0.000 10.148) 10.225 1.942 ( -0.264 0.000 0.830) 0.871 2.278 ( 10.477 0.000 12.179) 16.065 2.344 ( 5.041 0.000 8.375) 9.775 2.595 ( 2.447 0.000 -4.375) 5.013 2.662 ( -2.217 0.000 -0.834) 2.368 2.673 ( -0.828 0.000 -12.770) 12.796 2.794 ( 4.830 0.000 7.361) 8.804 2.972 ( 0.247 0.000 10.984) 10.986 3.101 ( -2.024 0.000 -0.764) 2.163 3.180 ( -10.266 0.000 -0.998) 10.314 3.352 ( 7.113 0.000 -1.894) 7.360 3.580 ( 0.278 0.000 3.897) 3.907 3.591 ( -3.627 0.000 -0.719) 3.697 3.786 ( 0.929 0.000 5.269) 5.351 3.819 ( 2.820 0.000 2.842) 4.004 3.913 ( -0.080 0.000 -0.281) 0.292 3.949 ( -1.596 0.000 -4.244) 4.534 4.014 ( -2.023 0.000 1.675) 2.626 4.139 ( -0.377 0.000 -1.562) 1.606 4.180 ( 0.015 0.000 -8.950) 8.951 4.312 ( 2.494 0.000 3.682) 4.447 4.369 ( -4.763 0.000 1.908) 5.131 4.507 ( -4.519 0.000 -8.861) 9.947 4.613 ( -2.555 0.000 -4.614) 5.275 4.663 ( 8.901 0.000 -2.170) 9.161 4.694 ( -8.090 0.000 -5.425) 9.741 4.828 ( 14.387 0.000 -8.677) 16.801 5.077 ( 1.818 0.000 -5.183) 5.493 5.239 ( -1.062 0.000 2.683) 2.885 5.344 ( -9.538 0.000 -8.147) 12.544 5.440 ( 2.707 0.000 2.835) 3.920 5.471 ( -2.630 0.000 1.760) 3.165 5.594 ( 3.259 0.000 1.350) 3.527 5.664 ( -1.939 0.000 5.321) 5.663 5.694 ( -2.422 0.000 2.711) 3.635 5.875 ( 4.749 0.000 3.009) 5.622 5.921 ( -2.522 0.000 -5.618) 6.158 6.123 ( -0.056 0.000 -3.966) 3.966 6.212 ( -0.384 0.000 1.422) 1.473 6.476 ( -0.137 0.000 6.247) 6.249 6.676 ( -0.334 0.000 -4.545) 4.557 6.788 ( -2.146 0.000 2.839) 3.558 6.958 ( -6.695 0.000 4.483) 8.058 7.299 ( -5.735 0.000 -0.958) 5.814 7.902 ( -1.686 0.000 0.870) 1.898 7.933 ( 2.720 0.000 0.068) 2.721 8.340 ( 0.509 0.000 -4.074) 4.105 8.381 ( 3.355 0.000 -8.205) 8.864 9.047 ( -1.449 0.000 9.688) 9.796 9.209 ( 0.031 0.000 1.387) 1.387 9.361 ( 4.083 0.000 0.548) 4.120 9.812 ( -0.952 0.000 -3.797) 3.915 10.427 ( 3.613 0.000 6.967) 7.848 10.618 ( 4.135 0.000 -0.377) 4.152 10.710 ( 12.865 0.000 -2.403) 13.088 10.876 ( 8.185 0.000 0.168) 8.186 11.204 ( -0.541 0.000 9.510) 9.525 11.411 ( -7.153 0.000 5.381) 8.951 11.878 ( 0.274 0.000 -2.941) 2.954 12.158 ( -5.577 0.000 -6.127) 8.285 12.352 ( 2.695 0.000 -0.372) 2.720 12.581 ( -4.625 0.000 -6.522) 7.995 12.597 ( -3.479 0.000 3.476) 4.918 12.746 ( 2.895 0.000 2.164) 3.615 12.824 ( 2.256 0.000 -6.980) 7.335 12.985 ( -6.980 0.000 3.690) 7.895 13.247 ( -7.183 0.000 0.046) 7.184 13.329 ( -28.213 0.000 0.689) 28.222 14.496 ( 5.505 0.000 -2.713) 6.137 14.561 ( -0.597 0.000 0.632) 0.869 14.615 ( -1.484 0.000 0.152) 1.492 14.915 ( -0.515 0.000 -5.146) 5.172 14.933 ( 28.884 0.000 -8.171) 30.018 15.141 ( -5.741 0.000 -0.064) 5.741 15.564 ( 7.672 0.000 -0.651) 7.699 16.859 ( -13.069 0.000 -14.790) 19.737 20.456 ( -2.448 0.000 1.295) 2.769 20.600 ( -2.863 0.000 -1.139) 3.081 21.108 ( 8.594 0.000 -10.082) 13.248 21.190 ( -12.609 0.000 -1.692) 12.722 21.728 ( 13.368 0.000 -2.641) 13.626 22.038 ( 8.101 0.000 1.660) 8.269 22.744 ( -3.359 0.000 12.275) 12.726 23.120 ( 1.886 0.000 12.955) 13.092 23.592 ( -9.617 0.000 5.800) 11.231 23.636 ( -3.439 0.000 11.091) 11.612 23.873 ( 5.194 0.000 -10.239) 11.481 24.299 ( 3.272 0.000 -5.625) 6.507 24.317 ( 2.845 0.000 -1.490) 3.212 24.357 ( 0.989 0.000 -2.230) 2.439 24.375 ( 1.685 0.000 -3.051) 3.485 25.052 ( -4.975 0.000 -17.154) 17.860 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.00 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 13.378 0.000 10.011) 16.709 1.480 ( 17.515 0.000 15.340) 23.283 1.803 ( 1.624 0.000 0.602) 1.732 1.824 ( 11.416 0.000 6.865) 13.321 1.961 ( 0.951 0.000 -4.000) 4.112 2.357 ( -0.483 0.000 4.771) 4.795 2.445 ( 1.993 0.000 3.214) 3.782 2.550 ( -10.334 0.000 -9.352) 13.937 2.588 ( -7.482 0.000 -3.682) 8.339 2.690 ( 3.329 0.000 -1.934) 3.850 2.826 ( 0.871 0.000 9.173) 9.214 2.923 ( -11.968 0.000 -2.627) 12.253 2.959 ( -1.635 0.000 -3.448) 3.816 3.237 ( 14.058 0.000 18.020) 22.855 3.425 ( 1.261 0.000 -0.113) 1.266 3.593 ( -2.992 0.000 -0.376) 3.016 3.604 ( 4.626 0.000 -2.695) 5.353 3.779 ( -3.365 0.000 3.209) 4.650 3.866 ( 3.859 0.000 2.217) 4.451 3.889 ( -1.751 0.000 -0.895) 1.967 3.972 ( -1.235 0.000 -5.093) 5.240 3.973 ( 4.706 0.000 -1.733) 5.015 4.201 ( 6.497 0.000 -6.884) 9.465 4.239 ( 4.046 0.000 0.169) 4.049 4.279 ( -4.590 0.000 1.720) 4.901 4.304 ( -3.808 0.000 8.974) 9.749 4.365 ( -6.159 0.000 -4.022) 7.356 4.601 ( 2.348 0.000 -8.426) 8.747 4.641 ( 3.509 0.000 -3.373) 4.868 4.832 ( 6.538 0.000 -3.749) 7.536 5.026 ( -7.150 0.000 2.518) 7.580 5.087 ( 7.358 0.000 -6.837) 10.044 5.142 ( -10.274 0.000 -11.870) 15.699 5.240 ( 2.943 0.000 2.145) 3.641 5.441 ( -1.728 0.000 5.035) 5.323 5.470 ( -4.870 0.000 -0.898) 4.952 5.546 ( 3.404 0.000 6.561) 7.391 5.609 ( -2.848 0.000 6.299) 6.913 5.789 ( 8.548 0.000 9.830) 13.026 5.789 ( -7.886 0.000 -7.437) 10.840 6.038 ( 7.967 0.000 6.010) 9.979 6.065 ( -5.474 0.000 -0.047) 5.474 6.229 ( 3.378 0.000 -1.535) 3.710 6.453 ( -2.769 0.000 2.270) 3.581 6.623 ( -10.204 0.000 7.644) 12.750 6.757 ( 5.147 0.000 -9.763) 11.037 6.775 ( -10.519 0.000 4.827) 11.574 7.180 ( -5.259 0.000 -5.637) 7.709 7.899 ( 1.841 0.000 3.587) 4.032 8.019 ( 5.471 0.000 0.048) 5.471 8.288 ( -5.509 0.000 1.145) 5.627 8.413 ( -1.476 0.000 -3.720) 4.002 9.090 ( 5.201 0.000 1.928) 5.547 9.261 ( 5.580 0.000 -4.219) 6.995 9.401 ( -0.319 0.000 -0.139) 0.348 9.755 ( -4.681 0.000 -4.682) 6.620 10.544 ( 7.171 0.000 5.782) 9.212 10.739 ( 6.789 0.000 1.041) 6.869 10.967 ( 8.389 0.000 -6.674) 10.720 11.038 ( 3.134 0.000 0.058) 3.134 11.245 ( 7.761 0.000 2.903) 8.286 11.253 ( -5.134 0.000 2.904) 5.898 11.813 ( -7.288 0.000 -4.595) 8.616 12.005 ( -8.849 0.000 -7.109) 11.351 12.406 ( 2.113 0.000 4.871) 5.310 12.506 ( -2.023 0.000 -2.484) 3.204 12.554 ( 0.061 0.000 -1.464) 1.465 12.768 ( -6.776 0.000 -3.133) 7.465 12.786 ( -0.010 0.000 0.131) 0.132 12.881 ( -2.534 0.000 -4.835) 5.459 12.937 ( -8.925 0.000 0.931) 8.973 13.065 ( -9.345 0.000 1.939) 9.544 14.533 ( -1.510 0.000 -0.179) 1.520 14.572 ( -2.375 0.000 -1.410) 2.762 14.597 ( 3.724 0.000 -3.285) 4.966 14.844 ( -4.671 0.000 -1.094) 4.797 15.191 ( 8.511 0.000 -2.158) 8.781 15.444 ( 20.385 0.000 -10.003) 22.707 15.652 ( 0.507 0.000 -0.045) 0.509 16.536 ( -16.711 0.000 -8.466) 18.733 20.423 ( -0.012 0.000 2.694) 2.694 20.636 ( 5.441 0.000 -4.071) 6.795 20.909 ( -13.674 0.000 2.527) 13.905 21.142 ( -4.240 0.000 -11.192) 11.969 22.016 ( 13.533 0.000 -2.487) 13.760 22.289 ( 14.719 0.000 2.057) 14.862 22.644 ( -6.053 0.000 9.109) 10.937 23.185 ( 4.251 0.000 11.523) 12.282 23.313 ( -15.424 0.000 9.161) 17.939 23.540 ( -5.471 0.000 11.169) 12.437 24.046 ( 9.865 0.000 -12.894) 16.235 24.353 ( 2.058 0.000 -5.419) 5.797 24.368 ( 1.800 0.000 -0.710) 1.935 24.393 ( 2.028 0.000 -2.281) 3.052 24.428 ( 2.712 0.000 -4.421) 5.186 24.885 ( -10.432 0.000 -14.914) 18.200 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.00 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 18.571 0.000 0.825) 18.590 1.832 ( 14.747 0.000 3.864) 15.244 1.847 ( -11.177 0.000 -2.145) 11.381 1.928 ( 8.927 0.000 -2.289) 9.216 2.074 ( 9.537 0.000 0.250) 9.540 2.261 ( -12.675 0.000 -5.419) 13.785 2.265 ( -8.666 0.000 -1.455) 8.787 2.328 ( -12.640 0.000 -0.752) 12.662 2.540 ( 6.900 0.000 1.181) 7.000 2.729 ( -8.459 0.000 -0.751) 8.493 2.762 ( 2.943 0.000 -1.184) 3.172 2.801 ( -0.913 0.000 -4.044) 4.146 3.047 ( 8.519 0.000 3.570) 9.237 3.273 ( -11.152 0.000 5.812) 12.575 3.508 ( 6.197 0.000 -1.815) 6.457 3.637 ( -4.716 0.000 -3.351) 5.786 3.683 ( 12.925 0.000 10.298) 16.526 3.723 ( 2.647 0.000 2.244) 3.470 3.817 ( -4.885 0.000 5.062) 7.035 3.887 ( -4.553 0.000 5.968) 7.507 3.992 ( 3.131 0.000 -2.925) 4.285 4.096 ( 5.687 0.000 1.501) 5.882 4.110 ( -7.836 0.000 -3.040) 8.405 4.200 ( -4.928 0.000 5.895) 7.684 4.319 ( 1.310 0.000 -2.790) 3.083 4.328 ( 0.692 0.000 -0.077) 0.696 4.450 ( 16.311 0.000 -12.953) 20.829 4.683 ( 5.171 0.000 -4.656) 6.958 4.797 ( -13.240 0.000 -11.341) 17.434 4.818 ( 12.125 0.000 0.884) 12.157 4.839 ( -9.722 0.000 1.109) 9.785 5.059 ( -8.369 0.000 3.728) 9.162 5.064 ( 7.666 0.000 -1.558) 7.823 5.273 ( -10.759 0.000 0.943) 10.800 5.360 ( 5.125 0.000 -5.024) 7.177 5.426 ( 0.135 0.000 4.154) 4.156 5.556 ( -0.631 0.000 3.332) 3.392 5.634 ( -6.249 0.000 -2.323) 6.667 5.709 ( 8.186 0.000 5.226) 9.712 5.866 ( -5.880 0.000 5.495) 8.048 6.086 ( 12.071 0.000 7.790) 14.366 6.196 ( 7.524 0.000 5.635) 9.400 6.328 ( -3.814 0.000 1.281) 4.024 6.352 ( 2.057 0.000 1.428) 2.504 6.383 ( -10.763 0.000 6.448) 12.547 6.536 ( -11.182 0.000 3.233) 11.640 6.907 ( 7.924 0.000 -9.339) 12.248 7.061 ( -6.495 0.000 -8.341) 10.571 7.984 ( 6.101 0.000 4.361) 7.499 8.138 ( -7.966 0.000 4.047) 8.935 8.158 ( 7.562 0.000 -0.145) 7.563 8.317 ( -6.930 0.000 -0.841) 6.981 9.227 ( 6.934 0.000 -1.696) 7.139 9.350 ( -4.380 0.000 -1.429) 4.607 9.428 ( 9.362 0.000 -6.994) 11.686 9.618 ( -8.172 0.000 -6.249) 10.287 10.717 ( 9.177 0.000 4.764) 10.340 10.880 ( 6.420 0.000 2.013) 6.728 10.916 ( -9.082 0.000 2.779) 9.498 10.999 ( -4.597 0.000 2.668) 5.315 11.352 ( 10.959 0.000 -6.595) 12.790 11.505 ( 14.174 0.000 -6.233) 15.484 11.599 ( -11.886 0.000 -6.054) 13.339 11.786 ( -12.107 0.000 -8.046) 14.537 12.460 ( 3.354 0.000 3.712) 5.003 12.520 ( 3.563 0.000 -0.758) 3.643 12.535 ( -3.013 0.000 -0.107) 3.015 12.631 ( -6.124 0.000 -2.780) 6.726 12.793 ( 2.683 0.000 -2.398) 3.599 12.841 ( -0.610 0.000 -3.234) 3.291 12.858 ( -2.457 0.000 -0.208) 2.466 12.893 ( -5.971 0.000 1.314) 6.114 14.512 ( -0.239 0.000 -1.590) 1.608 14.527 ( -1.638 0.000 -2.112) 2.673 14.670 ( 3.690 0.000 -2.718) 4.582 14.753 ( -4.096 0.000 -1.578) 4.390 15.405 ( 10.426 0.000 -0.992) 10.473 15.588 ( -6.387 0.000 -0.182) 6.390 15.828 ( 17.057 0.000 -8.390) 19.009 16.181 ( -16.912 0.000 -7.199) 18.380 20.476 ( 5.300 0.000 3.912) 6.587 20.646 ( -10.765 0.000 4.069) 11.508 20.795 ( 9.064 0.000 -6.936) 11.414 20.991 ( -9.035 0.000 -9.237) 12.921 22.280 ( 11.413 0.000 0.461) 11.423 22.490 ( -8.664 0.000 4.684) 9.849 22.621 ( 16.589 0.000 4.663) 17.232 22.973 ( -16.733 0.000 7.666) 18.405 23.291 ( 5.701 0.000 11.225) 12.589 23.416 ( -6.103 0.000 11.214) 12.767 24.252 ( 8.897 0.000 -11.683) 14.685 24.367 ( -1.660 0.000 -8.215) 8.381 24.401 ( 1.365 0.000 -1.257) 1.856 24.417 ( 0.107 0.000 -1.431) 1.435 24.493 ( 4.408 0.000 -5.403) 6.973 24.652 ( -10.584 0.000 -11.009) 15.271 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.20 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( 0.000 6.071 21.467) 22.309 1.186 ( 0.000 8.173 21.632) 23.124 1.654 ( 0.000 13.321 17.069) 21.652 1.800 ( 0.000 -6.222 11.994) 13.512 1.948 ( 0.000 -0.217 6.945) 6.948 2.100 ( 0.000 1.958 22.009) 22.096 2.226 ( 0.000 -4.775 11.888) 12.811 2.526 ( 0.000 -5.981 -1.498) 6.165 2.625 ( 0.000 -0.219 0.966) 0.990 2.730 ( 0.000 5.610 -0.706) 5.655 2.832 ( 0.000 3.655 -6.617) 7.560 2.974 ( 0.000 -0.030 8.307) 8.307 3.016 ( 0.000 -9.436 -1.116) 9.502 3.271 ( 0.000 -0.300 -1.325) 1.359 3.284 ( 0.000 3.331 -6.273) 7.102 3.538 ( 0.000 -3.410 5.204) 6.221 3.597 ( 0.000 -4.583 -1.420) 4.798 3.758 ( 0.000 -3.016 3.857) 4.896 3.836 ( 0.000 -6.454 0.815) 6.505 3.871 ( 0.000 6.360 4.074) 7.553 4.083 ( 0.000 4.504 4.309) 6.233 4.084 ( 0.000 9.641 -3.038) 10.108 4.126 ( 0.000 -0.295 -3.140) 3.153 4.250 ( 0.000 -2.320 -6.032) 6.463 4.309 ( 0.000 5.210 -1.076) 5.320 4.411 ( 0.000 -4.794 -1.981) 5.187 4.559 ( 0.000 2.837 0.080) 2.838 4.563 ( 0.000 -0.290 -9.685) 9.689 4.611 ( 0.000 -4.476 -4.610) 6.425 4.623 ( 0.000 4.352 -7.781) 8.916 4.879 ( 0.000 0.702 -3.548) 3.617 5.035 ( 0.000 -1.513 -7.113) 7.272 5.145 ( 0.000 -2.618 -0.138) 2.622 5.332 ( 0.000 -2.460 7.208) 7.616 5.457 ( 0.000 -3.545 -2.389) 4.275 5.522 ( 0.000 2.733 2.304) 3.575 5.574 ( 0.000 2.350 -2.653) 3.544 5.745 ( 0.000 -2.284 3.221) 3.949 5.784 ( 0.000 -1.131 5.003) 5.129 5.812 ( 0.000 8.627 -3.644) 9.365 6.002 ( 0.000 6.010 -9.096) 10.903 6.098 ( 0.000 -1.726 -3.251) 3.681 6.271 ( 0.000 3.999 -0.871) 4.092 6.424 ( 0.000 -3.832 9.314) 10.072 6.648 ( 0.000 -5.309 -8.402) 9.939 6.806 ( 0.000 0.367 3.602) 3.621 7.078 ( 0.000 5.192 2.398) 5.719 7.356 ( 0.000 -1.547 0.802) 1.742 7.894 ( 0.000 -0.899 0.068) 0.901 7.911 ( 0.000 -1.904 -1.402) 2.365 8.333 ( 0.000 1.516 -4.892) 5.122 8.348 ( 0.000 1.130 -9.557) 9.624 9.102 ( 0.000 0.398 13.319) 13.325 9.165 ( 0.000 -2.584 5.407) 5.993 9.382 ( 0.000 7.544 -0.701) 7.577 9.782 ( 0.000 -3.493 -3.523) 4.961 10.430 ( 0.000 3.160 7.111) 7.781 10.538 ( 0.000 -0.127 2.464) 2.467 10.596 ( 0.000 1.523 0.446) 1.587 10.756 ( 0.000 -2.583 2.589) 3.657 11.214 ( 0.000 0.584 10.030) 10.047 11.451 ( 0.000 -4.400 6.311) 7.694 11.894 ( 0.000 2.914 -3.665) 4.683 12.172 ( 0.000 -4.764 -5.363) 7.173 12.366 ( 0.000 4.948 -0.127) 4.949 12.630 ( 0.000 -0.760 0.795) 1.100 12.652 ( 0.000 -2.693 1.209) 2.952 12.723 ( 0.000 4.855 -5.681) 7.473 12.792 ( 0.000 0.382 -1.845) 1.884 13.042 ( 0.000 -3.217 6.184) 6.970 13.318 ( 0.000 -1.016 -1.250) 1.611 13.643 ( 0.000 -19.959 1.357) 20.005 14.379 ( 0.000 5.482 3.413) 6.458 14.541 ( 0.000 6.730 -5.040) 8.408 14.608 ( 0.000 0.886 -0.581) 1.060 14.628 ( 0.000 -0.587 1.678) 1.777 14.930 ( 0.000 2.032 -5.504) 5.867 15.249 ( 0.000 -8.664 13.188) 15.779 15.415 ( 0.000 5.536 -14.776) 15.779 16.528 ( 0.000 -36.557 -6.927) 37.207 20.520 ( 0.000 1.245 0.048) 1.246 20.827 ( 0.000 -5.697 0.734) 5.744 20.982 ( 0.000 18.098 -14.292) 23.061 21.392 ( 0.000 -0.702 -14.123) 14.140 21.736 ( 0.000 19.021 4.091) 19.456 22.103 ( 0.000 15.975 0.900) 16.000 22.678 ( 0.000 -10.220 11.698) 15.533 23.068 ( 0.000 -4.817 10.570) 11.616 23.486 ( 0.000 -6.350 7.449) 9.789 23.742 ( 0.000 -9.147 9.369) 13.094 23.882 ( 0.000 10.660 -0.116) 10.660 24.255 ( 0.000 0.841 -7.845) 7.890 24.277 ( 0.000 -1.341 -2.030) 2.433 24.303 ( 0.000 -1.914 -2.082) 2.828 24.551 ( 0.000 13.870 -11.052) 17.735 25.070 ( 0.000 -3.093 -18.081) 18.344 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.20 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.460 7.895 21.492) 22.901 1.193 ( 7.514 4.697 17.692) 19.787 1.739 ( 4.921 7.224 11.178) 14.189 1.777 ( 1.264 -4.606 9.612) 10.733 1.887 ( -2.309 0.534 5.193) 5.709 2.234 ( 5.374 -4.525 12.851) 14.646 2.343 ( 9.957 -1.332 7.068) 12.283 2.570 ( 2.736 1.339 2.133) 3.719 2.620 ( -0.042 -3.827 -2.108) 4.369 2.748 ( 0.503 4.131 -4.013) 5.781 2.836 ( -0.352 1.955 0.838) 2.157 2.932 ( 0.011 -0.772 5.650) 5.702 3.019 ( -1.804 -3.389 0.386) 3.858 3.195 ( -4.938 -1.353 -1.550) 5.350 3.380 ( 6.008 -0.351 -3.512) 6.968 3.548 ( 2.140 1.639 3.473) 4.396 3.589 ( -0.421 -1.905 -0.538) 2.024 3.771 ( -1.397 -2.727 2.276) 3.817 3.850 ( 2.145 0.528 3.897) 4.479 3.905 ( 2.986 0.770 2.192) 3.783 4.017 ( -4.625 6.795 -3.549) 8.953 4.072 ( 0.494 1.532 -0.247) 1.628 4.134 ( 0.432 3.797 -3.087) 4.912 4.217 ( -2.808 1.523 -6.072) 6.861 4.305 ( -3.483 -4.459 -0.878) 5.726 4.358 ( 3.296 3.311 2.646) 5.369 4.516 ( -2.724 1.547 -5.987) 6.757 4.552 ( -4.097 -4.671 -5.588) 8.356 4.649 ( -2.230 0.672 -1.442) 2.739 4.775 ( 0.123 2.174 -6.038) 6.418 4.808 ( 12.275 -1.060 -7.205) 14.273 5.090 ( 2.335 -3.911 -6.579) 8.002 5.119 ( -2.159 -0.662 0.811) 2.400 5.334 ( -1.010 -0.974 6.718) 6.863 5.453 ( -0.964 -3.674 0.367) 3.816 5.489 ( -3.272 1.743 2.137) 4.279 5.588 ( 2.067 2.043 -0.544) 2.957 5.676 ( -4.707 -0.262 3.484) 5.862 5.752 ( -3.957 2.751 1.092) 4.941 5.844 ( 5.234 -0.218 2.630) 5.862 5.957 ( -4.687 4.117 -7.639) 9.862 6.130 ( 2.623 0.452 -3.144) 4.120 6.259 ( -1.876 1.569 1.363) 2.800 6.458 ( 2.013 0.120 4.966) 5.360 6.669 ( 1.988 -4.092 -9.048) 10.127 6.763 ( -4.027 0.546 4.962) 6.414 6.980 ( -8.027 2.279 4.116) 9.304 7.286 ( -5.643 -1.205 -1.002) 5.857 7.832 ( -1.855 -4.032 0.019) 4.438 7.994 ( 3.841 3.210 1.132) 5.132 8.345 ( 0.429 0.462 -4.018) 4.067 8.387 ( 2.635 0.526 -8.233) 8.660 9.022 ( -2.751 -1.940 8.425) 9.072 9.209 ( 2.107 0.096 4.895) 5.330 9.428 ( 2.603 6.138 -1.234) 6.780 9.784 ( -0.551 -3.023 -3.614) 4.744 10.443 ( 2.069 1.659 6.054) 6.609 10.614 ( 5.194 -0.417 0.202) 5.214 10.729 ( 12.229 1.791 -2.253) 12.563 10.862 ( 9.001 -1.438 -0.276) 9.119 11.185 ( -2.519 -1.293 8.523) 8.981 11.406 ( -3.868 -0.942 6.256) 7.415 11.885 ( -1.318 0.902 -4.284) 4.572 12.124 ( -4.490 -3.339 -5.792) 8.054 12.389 ( 1.443 3.441 1.029) 3.871 12.551 ( -4.124 -0.861 -1.516) 4.477 12.652 ( -3.636 3.314 0.839) 4.991 12.698 ( 1.673 -3.228 1.425) 3.905 12.849 ( 0.778 0.856 -5.587) 5.705 12.974 ( -4.653 -1.157 3.173) 5.750 13.198 ( -12.602 -3.844 2.040) 13.332 13.308 ( -16.366 -2.663 0.696) 16.595 14.475 ( 6.570 -0.931 -1.137) 6.733 14.569 ( -1.114 0.566 0.838) 1.505 14.610 ( -1.356 -0.518 0.066) 1.453 14.870 ( 3.316 -2.413 -7.047) 8.154 14.979 ( 17.479 1.930 -2.654) 17.784 15.141 ( -3.179 -0.320 2.219) 3.890 15.540 ( 6.558 -1.367 -5.037) 8.382 16.496 ( -3.480 -28.176 -6.889) 29.214 20.534 ( 1.865 2.127 -1.096) 3.034 20.710 ( -8.338 10.330 -1.217) 13.330 20.979 ( -0.585 -4.981 -6.598) 8.288 21.405 ( -4.141 10.927 -11.944) 16.710 21.796 ( 7.776 8.204 1.517) 11.405 22.153 ( 4.939 11.660 1.724) 12.779 22.662 ( -1.514 -7.869 9.330) 12.299 23.061 ( -0.775 -6.880 10.197) 12.325 23.492 ( -0.004 -6.488 8.560) 10.741 23.615 ( -8.360 -1.301 10.176) 13.234 23.977 ( 5.968 7.516 -4.420) 10.566 24.296 ( 3.474 -0.141 -6.089) 7.012 24.301 ( 1.935 -1.483 -2.077) 3.203 24.319 ( 1.505 -1.326 -2.697) 3.361 24.526 ( -1.613 11.058 -8.914) 14.295 25.026 ( -4.716 -2.691 -17.493) 18.316 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.20 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 11.776 7.503 9.170) 16.705 1.439 ( 14.170 -2.425 12.959) 19.355 1.752 ( 1.274 -4.824 -0.024) 4.990 1.850 ( 3.178 -9.376 0.408) 9.908 1.999 ( 8.906 14.750 6.493) 18.413 2.233 ( -4.238 -9.441 5.519) 11.729 2.497 ( 0.315 1.535 -2.422) 2.885 2.544 ( -6.808 -1.256 -6.044) 9.190 2.629 ( -1.635 6.435 -0.116) 6.641 2.708 ( 3.180 -1.035 0.778) 3.434 2.800 ( -5.747 -1.632 1.673) 6.204 2.883 ( -2.517 2.824 -0.994) 3.911 3.062 ( -0.204 4.077 1.705) 4.423 3.185 ( 8.741 -4.258 10.652) 14.422 3.451 ( -0.248 -4.844 0.196) 4.854 3.543 ( -0.076 -0.014 -3.668) 3.669 3.661 ( 4.545 3.538 0.159) 5.762 3.709 ( -4.943 2.559 3.022) 6.334 3.888 ( -0.125 0.577 2.582) 2.648 3.942 ( 0.475 1.915 -0.516) 2.040 4.019 ( 5.878 0.959 0.647) 5.990 4.057 ( -2.369 2.911 -5.751) 6.867 4.197 ( 6.495 4.689 -6.300) 10.191 4.221 ( 3.237 -1.192 2.855) 4.478 4.263 ( 0.004 -1.037 -2.523) 2.728 4.301 ( -7.542 1.455 1.791) 7.887 4.426 ( -3.769 4.506 2.346) 6.325 4.556 ( 3.854 -2.750 -6.729) 8.227 4.651 ( 4.480 0.279 -1.086) 4.618 4.842 ( 2.037 -1.472 -3.743) 4.508 4.978 ( 1.345 -4.704 -3.398) 5.957 5.060 ( -5.426 -0.196 -3.813) 6.635 5.097 ( 2.688 -1.202 -5.881) 6.577 5.268 ( -4.136 -0.576 2.778) 5.016 5.404 ( -4.678 -2.214 0.019) 5.175 5.506 ( 2.486 0.861 4.381) 5.110 5.591 ( -2.853 -0.942 4.577) 5.475 5.604 ( -0.056 3.968 1.968) 4.430 5.713 ( 2.856 -5.689 6.473) 9.078 5.792 ( -7.665 1.852 -5.278) 9.489 6.007 ( 6.716 0.235 3.154) 7.423 6.163 ( -1.514 3.659 2.407) 4.634 6.224 ( 1.828 -1.356 -0.562) 2.344 6.456 ( -2.737 2.439 2.785) 4.604 6.603 ( -8.823 -2.773 5.165) 10.593 6.745 ( -3.180 0.712 -2.627) 4.186 6.808 ( -1.529 1.918 -0.843) 2.593 7.170 ( -4.962 -1.042 -4.757) 6.952 7.835 ( 2.436 -4.527 1.812) 5.451 8.079 ( 4.769 4.209 1.646) 6.570 8.287 ( -6.284 -0.072 1.622) 6.490 8.414 ( -1.025 0.086 -4.037) 4.166 9.064 ( 6.492 -2.043 0.763) 6.849 9.277 ( 4.906 1.138 -1.067) 5.148 9.447 ( -0.975 4.536 -1.890) 5.010 9.734 ( -4.374 -2.279 -4.541) 6.705 10.524 ( 5.449 -1.414 5.265) 7.708 10.745 ( 6.595 -0.063 2.677) 7.118 10.972 ( 4.864 0.494 -4.500) 6.645 11.032 ( 4.712 0.093 -2.896) 5.531 11.195 ( 8.654 -1.914 -1.471) 8.984 11.324 ( -2.211 3.448 5.220) 6.635 11.807 ( -6.696 -0.489 -5.743) 8.835 11.988 ( -8.379 -1.557 -6.722) 10.854 12.379 ( -1.546 -1.531 4.132) 4.670 12.528 ( 1.003 -0.179 -2.322) 2.536 12.579 ( -2.948 2.924 1.250) 4.337 12.694 ( -2.443 -4.209 0.093) 4.867 12.799 ( -1.599 1.316 -3.572) 4.129 12.910 ( -3.942 0.652 -2.344) 4.632 12.943 ( -6.271 1.283 1.136) 6.501 13.082 ( -8.769 0.763 0.769) 8.835 14.537 ( -1.565 0.413 -0.023) 1.618 14.563 ( -1.435 -0.669 -1.039) 1.894 14.596 ( 2.811 -0.230 -2.829) 3.995 14.799 ( -4.241 -4.301 -1.132) 6.145 15.198 ( 7.363 0.694 -1.528) 7.552 15.390 ( 15.615 -5.528 -3.983) 17.037 15.640 ( 3.983 -0.648 -4.588) 6.110 16.367 ( -8.927 -13.692 -6.834) 17.717 20.562 ( -2.963 11.543 0.825) 11.946 20.624 ( 4.409 -0.081 -2.100) 4.884 20.903 ( -6.505 -1.541 -1.565) 6.866 21.237 ( -9.568 8.370 -8.005) 15.023 22.009 ( 10.903 -0.048 0.031) 10.903 22.300 ( 7.881 1.081 4.107) 8.953 22.622 ( -1.686 -1.956 4.051) 4.804 23.020 ( -3.959 -11.575 8.905) 15.131 23.431 ( -5.293 5.823 10.320) 12.978 23.492 ( -2.719 -2.532 11.027) 11.636 24.112 ( 7.098 5.144 -9.239) 12.736 24.346 ( 2.249 -1.356 -2.389) 3.550 24.361 ( 2.129 -0.291 -4.784) 5.244 24.371 ( 3.007 -0.532 -3.997) 5.031 24.505 ( -0.309 6.250 -5.726) 8.482 24.866 ( -9.998 -1.988 -14.732) 17.915 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.20 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 16.634 3.987 0.919) 17.130 1.733 ( 10.484 -5.910 4.546) 12.865 1.846 ( 1.179 -5.911 -0.339) 6.037 1.892 ( 6.593 -2.648 -6.360) 9.536 2.056 ( -12.284 -5.196 -1.384) 13.409 2.069 ( -3.698 -2.307 1.844) 4.733 2.367 ( -7.350 2.749 -8.991) 11.934 2.390 ( -5.229 0.182 -1.448) 5.429 2.631 ( 2.244 9.742 3.455) 10.577 2.697 ( -1.684 2.890 0.652) 3.408 2.830 ( 4.168 4.382 -1.036) 6.136 2.873 ( -0.475 3.864 0.889) 3.993 3.071 ( 4.967 2.397 2.326) 5.986 3.250 ( -7.302 -2.887 4.399) 9.001 3.463 ( 2.641 -7.735 0.025) 8.173 3.528 ( -1.957 -7.326 1.535) 7.737 3.651 ( 2.879 2.795 2.400) 4.676 3.740 ( -0.151 -0.010 0.963) 0.975 3.853 ( 0.591 2.504 0.276) 2.588 3.948 ( -4.422 -0.332 -2.420) 5.052 4.004 ( 3.709 3.470 4.754) 6.957 4.116 ( -4.783 3.254 2.217) 6.195 4.189 ( 3.920 6.285 1.294) 7.519 4.257 ( -0.849 3.612 2.904) 4.712 4.305 ( 2.007 -1.230 -0.095) 2.356 4.330 ( -1.407 2.092 -1.643) 3.009 4.488 ( 14.848 3.816 -9.545) 18.059 4.651 ( 4.553 -3.462 -2.073) 6.084 4.760 ( -4.084 -5.433 0.317) 6.805 4.778 ( -4.697 0.850 -5.835) 7.538 4.896 ( -0.060 2.648 -2.259) 3.482 5.044 ( 1.068 0.308 0.537) 1.235 5.094 ( -2.108 1.216 -0.044) 2.434 5.244 ( -7.813 -1.097 -1.059) 7.960 5.301 ( 6.060 -5.990 -6.283) 10.586 5.458 ( -6.298 -0.540 -4.359) 7.679 5.531 ( -0.627 -0.901 7.144) 7.228 5.571 ( -4.010 -3.778 2.934) 6.242 5.768 ( 4.762 4.121 3.941) 7.429 5.830 ( 2.107 -3.671 7.696) 8.784 6.075 ( 4.298 0.050 4.726) 6.388 6.185 ( 0.711 -3.438 4.044) 5.355 6.295 ( 2.173 -0.578 5.665) 6.095 6.382 ( 1.094 4.603 0.568) 4.765 6.425 ( -7.464 1.336 5.501) 9.367 6.538 ( -10.329 0.307 1.314) 10.417 6.930 ( 7.075 2.008 -7.963) 10.840 7.064 ( -5.580 0.170 -7.125) 9.052 7.936 ( 7.012 -3.728 3.032) 8.500 8.111 ( -8.926 -2.109 3.328) 9.757 8.204 ( 6.420 3.455 1.515) 7.447 8.339 ( -5.671 1.846 -0.395) 5.977 9.232 ( 8.104 0.400 -2.016) 8.361 9.365 ( -3.018 1.305 -1.449) 3.593 9.438 ( 6.252 1.191 -6.708) 9.247 9.605 ( -7.685 -1.427 -6.148) 9.945 10.661 ( 7.385 -4.042 4.907) 9.745 10.806 ( -4.312 -5.457 5.281) 8.732 10.960 ( 3.496 3.762 0.854) 5.206 11.067 ( -4.104 4.253 0.730) 5.955 11.371 ( 9.355 1.741 -7.015) 11.822 11.480 ( 10.221 -1.925 -7.530) 12.840 11.627 ( -7.393 2.141 -6.606) 10.143 11.779 ( -11.347 -0.603 -7.846) 13.808 12.389 ( 2.677 -3.939 2.615) 5.433 12.471 ( -4.546 -4.877 0.628) 6.696 12.591 ( 2.437 3.736 -0.105) 4.462 12.646 ( -2.359 0.870 -2.349) 3.441 12.813 ( 2.401 1.774 -2.332) 3.788 12.847 ( -0.732 0.963 -0.713) 1.404 12.872 ( -2.327 0.819 -0.800) 2.594 12.924 ( -5.902 2.716 0.539) 6.519 14.513 ( -0.453 0.084 -1.286) 1.366 14.524 ( -1.445 -0.338 -1.861) 2.380 14.656 ( 2.946 -1.400 -2.428) 4.066 14.722 ( -3.323 -3.044 -1.489) 4.746 15.378 ( 8.414 -2.305 -0.470) 8.737 15.509 ( -3.006 -6.894 0.659) 7.550 15.836 ( 14.034 0.509 -8.456) 16.392 16.131 ( -13.205 -4.226 -7.290) 15.665 20.553 ( 2.679 6.795 3.440) 8.073 20.655 ( -5.099 1.770 3.005) 6.178 20.852 ( 5.968 4.152 -5.962) 9.402 21.035 ( -9.678 4.166 -7.795) 13.106 22.226 ( 9.394 -4.936 2.790) 10.973 22.372 ( -3.096 -8.111 6.356) 10.760 22.670 ( 7.742 1.789 1.218) 8.039 22.872 ( -9.618 -7.552 5.781) 13.526 23.383 ( 0.762 6.668 11.130) 12.997 23.431 ( -3.074 1.459 11.366) 11.864 24.271 ( 7.545 1.632 -10.329) 12.896 24.377 ( -1.612 0.724 -8.000) 8.193 24.391 ( 1.772 -0.869 -2.264) 3.003 24.409 ( 0.393 -0.471 -3.422) 3.476 24.521 ( 2.606 2.535 -5.044) 6.217 24.649 ( -9.431 -0.474 -10.273) 13.954 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.40 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 0.000 10.383 15.052) 18.285 1.353 ( 0.000 4.220 13.915) 14.541 1.635 ( 0.000 -4.003 14.861) 15.391 1.754 ( 0.000 -7.125 14.316) 15.991 2.014 ( 0.000 5.201 12.368) 13.417 2.097 ( 0.000 -2.280 16.426) 16.584 2.267 ( 0.000 11.581 7.996) 14.074 2.445 ( 0.000 -3.958 1.501) 4.233 2.579 ( 0.000 -1.500 12.585) 12.674 2.692 ( 0.000 -13.123 8.086) 15.414 2.887 ( 0.000 6.283 -7.532) 9.809 2.946 ( 0.000 -0.794 -8.823) 8.859 3.081 ( 0.000 12.823 2.005) 12.979 3.301 ( 0.000 -4.491 -4.045) 6.044 3.314 ( 0.000 4.285 -4.147) 5.963 3.451 ( 0.000 -10.221 -3.656) 10.855 3.510 ( 0.000 1.200 6.879) 6.983 3.609 ( 0.000 -9.237 8.525) 12.570 3.819 ( 0.000 6.336 -3.220) 7.107 3.989 ( 0.000 -4.597 -3.505) 5.781 4.033 ( 0.000 3.335 0.100) 3.336 4.158 ( 0.000 -2.421 -0.229) 2.432 4.220 ( 0.000 2.602 -2.401) 3.540 4.260 ( 0.000 -2.164 2.262) 3.131 4.334 ( 0.000 9.697 -5.756) 11.276 4.463 ( 0.000 -0.274 -2.058) 2.076 4.522 ( 0.000 0.907 -8.313) 8.362 4.558 ( 0.000 0.498 -5.414) 5.437 4.580 ( 0.000 -0.866 -3.540) 3.644 4.653 ( 0.000 -6.195 -5.414) 8.227 4.849 ( 0.000 4.563 1.299) 4.745 4.971 ( 0.000 -5.444 -3.401) 6.419 5.271 ( 0.000 8.271 -2.596) 8.669 5.306 ( 0.000 -0.000 3.963) 3.963 5.406 ( 0.000 0.644 4.709) 4.753 5.531 ( 0.000 -4.875 2.180) 5.340 5.605 ( 0.000 0.697 1.490) 1.645 5.626 ( 0.000 -4.083 6.054) 7.302 5.853 ( 0.000 4.973 -0.085) 4.973 5.919 ( 0.000 0.244 0.465) 0.525 6.091 ( 0.000 4.228 -3.104) 5.245 6.157 ( 0.000 9.361 -11.220) 14.612 6.216 ( 0.000 -7.082 2.672) 7.570 6.352 ( 0.000 -8.514 -10.708) 13.680 6.621 ( 0.000 5.399 1.952) 5.741 6.750 ( 0.000 -5.863 2.179) 6.255 7.208 ( 0.000 6.795 -1.388) 6.935 7.308 ( 0.000 -3.686 -0.536) 3.725 7.877 ( 0.000 -0.640 0.193) 0.669 7.879 ( 0.000 -0.990 -0.027) 0.991 8.361 ( 0.000 1.060 -6.349) 6.437 8.366 ( 0.000 0.491 -8.324) 8.339 9.114 ( 0.000 0.756 11.280) 11.305 9.131 ( 0.000 -1.168 8.496) 8.576 9.538 ( 0.000 8.305 -1.932) 8.527 9.684 ( 0.000 -6.620 -2.926) 7.238 10.497 ( 0.000 3.291 4.520) 5.591 10.537 ( 0.000 -0.626 2.220) 2.306 10.629 ( 0.000 2.200 2.706) 3.488 10.690 ( 0.000 -3.875 3.114) 4.971 11.252 ( 0.000 3.619 8.660) 9.386 11.347 ( 0.000 -5.848 7.042) 9.153 11.963 ( 0.000 4.309 -5.432) 6.933 12.062 ( 0.000 -5.962 -5.421) 8.058 12.508 ( 0.000 9.373 3.121) 9.879 12.616 ( 0.000 -1.361 2.561) 2.901 12.623 ( 0.000 0.237 1.549) 1.567 12.716 ( 0.000 -8.327 1.172) 8.409 12.835 ( 0.000 6.468 -1.475) 6.634 12.955 ( 0.000 -5.680 3.017) 6.432 13.301 ( 0.000 -0.200 1.072) 1.090 13.355 ( 0.000 -7.876 5.075) 9.370 14.514 ( 0.000 7.601 2.051) 7.873 14.594 ( 0.000 0.200 1.135) 1.153 14.617 ( 0.000 -0.513 0.965) 1.093 14.628 ( 0.000 -1.014 -3.955) 4.083 14.976 ( 0.000 2.873 -2.323) 3.695 15.071 ( 0.000 -7.911 5.965) 9.908 15.591 ( 0.000 13.243 -11.500) 17.539 15.938 ( 0.000 -23.836 -6.006) 24.581 20.573 ( 0.000 4.746 1.382) 4.943 20.695 ( 0.000 -7.379 1.512) 7.533 21.241 ( 0.000 9.065 -16.236) 18.595 21.355 ( 0.000 -3.489 -15.279) 15.672 22.086 ( 0.000 17.598 5.709) 18.501 22.416 ( 0.000 -16.303 8.816) 18.534 22.507 ( 0.000 22.184 -0.406) 22.188 22.873 ( 0.000 -15.333 3.398) 15.705 23.463 ( 0.000 3.361 13.590) 14.000 23.575 ( 0.000 -7.709 13.628) 15.657 24.067 ( 0.000 8.508 -0.809) 8.547 24.204 ( 0.000 -5.743 -0.698) 5.785 24.272 ( 0.000 0.857 -6.310) 6.368 24.286 ( 0.000 -0.562 -4.828) 4.860 24.803 ( 0.000 11.414 -18.320) 21.585 24.976 ( 0.000 -6.803 -19.087) 20.263 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.14 0.40 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 4.424 8.128 13.755) 16.579 1.343 ( -0.089 8.278 14.024) 16.285 1.599 ( -0.495 -7.464 10.449) 12.850 1.680 ( -4.953 -9.232 10.718) 14.988 2.096 ( 6.575 6.452 11.153) 14.466 2.165 ( 2.804 1.776 8.280) 8.921 2.333 ( 6.733 2.881 6.383) 9.715 2.552 ( 6.106 -2.537 1.672) 6.820 2.609 ( 4.294 0.419 10.411) 11.270 2.708 ( 1.271 -8.036 3.106) 8.709 2.845 ( -4.447 1.446 -6.414) 7.937 2.960 ( 0.740 2.125 0.460) 2.297 3.098 ( -3.185 8.866 -2.090) 9.649 3.179 ( -3.383 1.553 -2.698) 4.598 3.311 ( 0.815 -6.356 -2.757) 6.977 3.500 ( 3.169 -6.361 -2.294) 7.468 3.605 ( 8.299 2.607 6.354) 10.772 3.743 ( 8.152 -4.855 7.229) 11.928 3.808 ( -0.044 5.204 -3.216) 6.118 3.986 ( -3.770 -3.138 0.443) 4.926 4.020 ( 1.621 3.443 -2.871) 4.767 4.145 ( -5.920 -5.083 -1.325) 7.914 4.163 ( -2.377 4.592 -3.023) 5.989 4.232 ( 2.540 1.150 -3.859) 4.761 4.289 ( -4.005 3.690 -2.446) 5.969 4.444 ( -2.279 -5.597 -5.306) 8.042 4.461 ( 1.357 4.891 -2.435) 5.629 4.568 ( 2.276 4.283 -3.095) 5.754 4.698 ( -8.001 -0.273 0.334) 8.013 4.703 ( 2.339 -4.198 -4.506) 6.588 4.784 ( 8.250 -1.193 -6.017) 10.281 5.018 ( 1.567 -1.955 -1.394) 2.867 5.223 ( -3.676 6.985 -0.370) 7.902 5.310 ( 0.894 -1.277 6.245) 6.436 5.397 ( -0.746 -0.413 3.336) 3.443 5.522 ( -2.991 -3.017 3.269) 5.361 5.526 ( -1.372 -3.034 2.531) 4.183 5.697 ( -5.229 2.773 -0.060) 5.919 5.765 ( 2.184 -1.371 -1.274) 2.877 5.871 ( -2.769 1.254 -1.159) 3.253 6.067 ( -6.712 5.412 -7.271) 11.279 6.165 ( 4.223 2.798 -0.688) 5.112 6.223 ( -1.922 -1.894 1.713) 3.197 6.419 ( 5.296 -6.950 -4.017) 9.617 6.637 ( 0.466 3.813 -0.201) 3.846 6.757 ( 1.275 -2.458 0.428) 2.802 7.037 ( -12.333 2.535 2.694) 12.875 7.263 ( -5.206 -0.793 -1.889) 5.595 7.772 ( -2.862 -1.835 -0.277) 3.411 8.037 ( 6.385 1.142 1.721) 6.711 8.355 ( 0.114 0.383 -4.135) 4.154 8.395 ( 1.564 0.255 -8.038) 8.193 8.994 ( -4.343 -0.766 7.899) 9.047 9.212 ( 3.513 0.124 7.138) 7.957 9.564 ( 1.265 7.412 -2.389) 7.889 9.696 ( 0.217 -5.986 -3.048) 6.721 10.480 ( -0.443 1.559 3.691) 4.031 10.602 ( 6.018 -0.678 2.567) 6.577 10.770 ( 11.747 2.286 -1.607) 12.075 10.824 ( 10.757 -2.356 -1.340) 11.093 11.174 ( -5.308 0.100 6.026) 8.031 11.376 ( 0.917 -1.568 8.123) 8.324 11.913 ( -4.170 1.618 -6.332) 7.752 12.051 ( -1.838 -3.231 -5.221) 6.409 12.453 ( -4.321 2.029 3.636) 6.001 12.564 ( -2.854 2.018 0.832) 3.593 12.653 ( 0.336 -0.581 3.066) 3.139 12.690 ( -1.864 -0.622 3.016) 3.599 12.842 ( -0.770 -0.543 -4.874) 4.964 12.940 ( -0.886 -2.004 2.133) 3.058 13.154 ( -9.253 -0.227 2.163) 9.505 13.243 ( -9.983 -2.997 1.916) 10.598 14.487 ( 4.367 1.499 -0.540) 4.648 14.581 ( -1.329 0.648 1.318) 1.981 14.598 ( -1.152 -0.721 -0.022) 1.359 14.826 ( -5.264 -2.020 -5.304) 7.741 14.977 ( 15.691 -1.324 6.176) 16.915 15.142 ( 3.058 0.602 -0.052) 3.117 15.553 ( 0.155 2.188 -9.945) 10.184 16.066 ( 7.828 -13.471 -6.750) 16.979 20.583 ( 1.800 3.258 0.089) 3.723 20.744 ( 3.017 -4.213 1.927) 5.529 21.001 ( -11.897 3.775 -10.288) 16.175 21.514 ( 2.664 1.888 -16.447) 16.768 22.011 ( -4.002 10.875 7.831) 13.986 22.360 ( -2.779 0.092 7.445) 7.947 22.565 ( 2.986 7.681 -0.192) 8.243 22.847 ( -2.233 -14.653 3.991) 15.350 23.420 ( -1.211 -1.358 12.177) 12.313 23.593 ( -0.844 -0.754 13.228) 13.276 24.111 ( 3.766 5.994 -2.187) 7.409 24.239 ( 2.922 -4.156 -0.740) 5.134 24.297 ( 2.217 0.066 -6.788) 7.141 24.313 ( 2.467 0.049 -4.592) 5.213 24.728 ( -5.301 8.200 -14.910) 17.822 24.953 ( -3.573 -4.270 -18.266) 19.096 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.29 0.40 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 8.202 9.950 6.884) 14.617 1.428 ( 9.207 1.334 10.728) 14.200 1.629 ( 1.823 -6.816 2.028) 7.341 1.660 ( 5.008 -8.995 4.270) 11.145 2.082 ( -4.467 -4.185 5.390) 8.156 2.310 ( 3.516 14.655 3.274) 15.422 2.492 ( -1.495 -2.850 -3.861) 5.026 2.504 ( -2.480 -1.887 -1.698) 3.549 2.631 ( -1.687 -3.928 1.829) 4.650 2.766 ( 3.441 5.064 -0.347) 6.132 2.840 ( 5.320 2.557 3.084) 6.659 2.939 ( -5.050 2.834 -1.603) 6.008 3.039 ( 5.871 -5.715 5.181) 9.694 3.179 ( -2.045 4.783 1.983) 5.567 3.307 ( -1.407 -7.119 1.209) 7.357 3.539 ( -1.338 -1.677 -4.000) 4.539 3.711 ( 1.084 2.204 -1.642) 2.955 3.830 ( 0.124 6.406 1.025) 6.489 3.880 ( -2.079 -0.278 2.009) 2.904 3.976 ( 11.461 -4.036 5.415) 13.303 4.005 ( -3.174 2.038 -2.235) 4.384 4.032 ( -2.571 -2.007 -1.355) 3.532 4.192 ( 3.994 0.449 -4.581) 6.094 4.263 ( 3.484 1.102 -0.928) 3.770 4.308 ( -0.584 2.158 -3.940) 4.530 4.353 ( 0.105 0.147 -4.197) 4.201 4.503 ( -0.777 2.827 3.088) 4.258 4.590 ( 2.110 7.366 -0.530) 7.681 4.652 ( 2.426 0.307 1.115) 2.688 4.750 ( 1.030 -5.356 -1.084) 5.561 4.907 ( 5.794 -4.600 -6.543) 9.876 4.990 ( -3.556 -4.102 -2.670) 6.050 5.160 ( -1.916 5.089 -4.107) 6.815 5.256 ( -8.032 -0.181 2.727) 8.485 5.380 ( -1.744 -0.118 0.580) 1.842 5.502 ( 0.502 -1.767 3.536) 3.985 5.546 ( 3.944 -4.112 7.646) 9.535 5.594 ( -2.168 -0.344 2.172) 3.088 5.655 ( -9.274 -0.715 -6.357) 11.267 5.920 ( -3.669 8.116 -2.372) 9.217 5.999 ( 8.224 -0.997 1.100) 8.357 6.123 ( -6.274 -5.425 5.051) 9.711 6.241 ( 2.794 2.177 0.662) 3.603 6.492 ( 0.630 -1.507 2.136) 2.689 6.580 ( -5.841 2.150 3.486) 7.134 6.761 ( -11.892 0.354 1.681) 12.015 6.842 ( 5.140 1.316 -4.229) 6.785 7.149 ( -4.634 -0.834 -3.237) 5.714 7.765 ( 2.493 -2.187 0.741) 3.398 8.142 ( 4.537 1.853 2.306) 5.416 8.286 ( -7.518 -0.020 2.345) 7.875 8.415 ( -0.239 0.052 -4.390) 4.397 9.032 ( 7.762 -1.002 0.024) 7.827 9.294 ( 4.582 0.508 1.293) 4.788 9.553 ( -2.539 5.957 -3.243) 7.242 9.665 ( -3.301 -4.778 -4.082) 7.099 10.507 ( 3.125 -0.285 4.204) 5.246 10.729 ( 4.693 -1.002 5.842) 7.560 10.985 ( 0.634 0.674 -2.202) 2.389 11.043 ( 9.243 0.561 -7.589) 11.972 11.172 ( 11.904 -0.557 -5.423) 13.093 11.365 ( -1.326 0.896 6.692) 6.881 11.802 ( -6.373 0.041 -7.778) 10.055 11.957 ( -7.290 -1.244 -5.994) 9.519 12.365 ( -3.145 -0.022 3.469) 4.682 12.487 ( -4.784 -2.393 3.018) 6.142 12.634 ( -1.551 1.916 0.916) 2.630 12.661 ( 0.182 -0.154 -0.820) 0.854 12.829 ( 0.190 1.277 -3.150) 3.404 12.908 ( -2.116 -0.234 0.136) 2.133 12.983 ( -7.192 2.716 0.899) 7.740 13.062 ( -5.891 -2.689 0.377) 6.487 14.545 ( -1.871 0.252 1.455) 2.383 14.559 ( -1.949 0.267 -1.956) 2.774 14.594 ( 3.194 0.389 -1.713) 3.645 14.706 ( -4.036 -4.151 -0.629) 5.824 15.218 ( 6.004 1.530 -0.128) 6.197 15.277 ( 9.771 -4.750 1.779) 11.009 15.636 ( 7.294 0.063 -9.083) 11.649 16.158 ( 0.003 -6.157 -7.326) 9.570 20.651 ( 3.440 2.217 -0.515) 4.125 20.746 ( -2.492 5.650 0.707) 6.215 20.850 ( -2.057 -2.962 -4.135) 5.487 21.375 ( -12.533 4.285 -6.944) 14.955 22.030 ( 4.467 1.646 4.729) 6.710 22.315 ( -2.106 0.002 6.910) 7.224 22.615 ( 2.283 2.582 -0.590) 3.497 22.801 ( -1.932 -9.976 3.141) 10.635 23.429 ( 1.318 -1.204 11.282) 11.422 23.540 ( -3.203 2.596 11.987) 12.677 24.196 ( 4.201 3.077 -5.239) 7.386 24.308 ( 3.380 -1.990 -1.508) 4.202 24.355 ( 2.978 -0.160 -7.826) 8.375 24.373 ( 2.644 0.242 -4.195) 4.964 24.630 ( -3.714 5.362 -9.792) 11.765 24.813 ( -9.055 -2.978 -14.196) 17.100 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.43 0.40 0.25) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 8.972 0.387 7.256) 11.546 1.658 ( 12.939 2.932 -0.787) 13.290 1.718 ( 4.758 -4.347 0.834) 6.499 1.795 ( 7.317 -6.659 -1.614) 10.024 1.964 ( -6.478 -1.769 -1.013) 6.792 2.107 ( -15.936 1.567 -7.454) 17.663 2.366 ( -4.945 -1.539 -4.487) 6.853 2.375 ( -6.877 -0.078 -6.515) 9.473 2.818 ( 4.488 8.412 0.591) 9.552 2.857 ( 6.076 7.844 5.818) 11.502 2.893 ( 2.763 2.838 2.271) 4.566 2.918 ( 2.605 2.061 3.761) 5.017 3.093 ( -0.856 -4.519 4.946) 6.754 3.172 ( -0.478 -1.093 2.293) 2.585 3.292 ( 2.059 -7.577 0.738) 7.887 3.418 ( -8.577 -3.429 -1.481) 9.355 3.706 ( -0.184 -0.163 -1.698) 1.715 3.744 ( -2.671 1.872 -1.075) 3.434 3.916 ( 0.398 3.802 -2.239) 4.430 3.944 ( -2.201 1.003 -4.018) 4.690 4.036 ( 4.067 -1.172 2.848) 5.101 4.123 ( -2.252 -2.233 -1.115) 3.362 4.275 ( 5.236 2.252 6.946) 8.986 4.322 ( 0.635 1.578 2.025) 2.644 4.326 ( 5.508 4.634 -4.183) 8.325 4.423 ( -3.479 5.447 5.216) 8.305 4.519 ( 7.311 -2.495 1.556) 7.880 4.609 ( -2.039 -5.223 -0.340) 5.617 4.686 ( 3.922 5.533 -3.510) 7.636 4.812 ( -4.105 0.979 -2.332) 4.822 4.897 ( 5.240 -2.812 -1.599) 6.158 5.060 ( -3.626 0.483 0.821) 3.749 5.105 ( 3.258 0.018 -6.605) 7.365 5.177 ( 5.064 -3.794 -6.485) 9.061 5.261 ( -8.293 1.858 -3.413) 9.159 5.380 ( -11.924 -4.800 -11.138) 17.009 5.521 ( -0.257 -0.261 8.091) 8.099 5.538 ( -1.641 -0.801 6.188) 6.452 5.726 ( 8.153 -3.238 7.695) 11.669 5.882 ( -4.726 4.359 7.008) 9.510 6.050 ( 3.477 -3.037 3.874) 6.027 6.128 ( 1.116 -0.700 2.289) 2.641 6.311 ( 4.257 0.833 4.429) 6.200 6.432 ( -6.261 -0.124 6.839) 9.273 6.468 ( -1.579 3.266 1.496) 3.924 6.543 ( -7.548 -0.066 -1.864) 7.775 6.965 ( 5.547 1.243 -6.139) 8.367 7.064 ( -3.998 -0.101 -5.070) 6.457 7.877 ( 7.900 -1.869 2.018) 8.365 8.077 ( -10.474 -1.102 2.987) 10.947 8.257 ( 5.752 1.635 2.523) 6.490 8.369 ( -4.204 0.944 0.029) 4.309 9.238 ( 10.198 0.180 -2.732) 10.559 9.385 ( 0.686 0.564 -1.744) 1.958 9.475 ( -1.567 2.243 -5.871) 6.477 9.566 ( -5.751 -2.163 -5.886) 8.509 10.603 ( 5.674 -1.679 5.074) 7.795 10.724 ( -4.902 -2.436 6.682) 8.638 11.016 ( 5.157 1.603 0.324) 5.410 11.127 ( -3.030 1.716 -0.998) 3.622 11.403 ( 6.809 1.128 -6.555) 9.518 11.449 ( 8.964 -1.023 -10.626) 13.940 11.660 ( -4.934 1.053 -8.003) 9.461 11.767 ( -9.944 -0.464 -7.358) 12.379 12.341 ( 0.813 -0.982 2.555) 2.855 12.390 ( -3.728 -2.778 2.184) 5.137 12.636 ( 1.055 1.025 -1.274) 1.946 12.658 ( -0.713 0.325 -2.095) 2.237 12.839 ( 0.548 0.701 -0.924) 1.283 12.870 ( -2.920 0.618 0.699) 3.065 12.896 ( 1.330 1.786 -0.362) 2.256 12.962 ( -4.228 0.814 -0.041) 4.306 14.513 ( -0.851 -0.112 -0.262) 0.897 14.518 ( -1.353 -0.131 -2.151) 2.545 14.632 ( 1.104 -0.502 -1.468) 1.905 14.657 ( -1.407 -2.937 -0.963) 3.396 15.344 ( 4.795 -0.574 0.378) 4.844 15.388 ( 1.073 -4.388 1.541) 4.773 15.841 ( 11.430 0.072 -8.727) 14.381 16.063 ( -8.499 -2.089 -7.838) 11.749 20.664 ( 0.518 3.317 2.478) 4.173 20.713 ( -3.082 2.983 3.254) 5.384 20.907 ( 7.831 1.261 -5.824) 9.840 21.114 ( -11.396 2.857 -5.427) 12.941 22.139 ( 5.531 -2.880 6.229) 8.813 22.248 ( -4.446 -3.907 7.012) 9.176 22.679 ( 3.748 -0.047 -0.389) 3.768 22.753 ( -2.930 -3.870 0.985) 4.953 23.455 ( 1.160 1.041 11.347) 11.454 23.485 ( -1.911 2.828 11.480) 11.977 24.298 ( 5.504 0.871 -7.969) 9.724 24.367 ( 1.289 -0.820 -2.285) 2.748 24.396 ( 0.242 0.500 -9.915) 9.931 24.405 ( 0.265 0.012 -4.977) 4.984 24.575 ( -1.036 2.726 -6.248) 6.895 24.629 ( -6.694 -1.515 -8.649) 11.041 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 0.000 0.000 20.873) 20.873 1.544 ( 0.000 0.000 17.722) 17.722 1.868 ( 0.000 0.000 11.680) 11.680 2.014 ( 0.000 0.000 0.554) 0.554 2.108 ( 0.000 0.000 8.214) 8.214 2.365 ( 0.000 0.000 -6.504) 6.504 2.382 ( 0.000 0.000 -9.064) 9.064 2.440 ( 0.000 0.000 1.314) 1.314 2.559 ( 0.000 0.000 16.377) 16.377 2.791 ( 0.000 0.000 4.787) 4.787 2.865 ( 0.000 0.000 10.524) 10.524 3.131 ( 0.000 0.000 3.541) 3.541 3.134 ( 0.000 0.000 -4.927) 4.927 3.273 ( 0.000 0.000 11.898) 11.898 3.295 ( 0.000 0.000 -0.370) 0.370 3.654 ( 0.000 0.000 0.565) 0.565 3.743 ( 0.000 0.000 5.666) 5.666 3.752 ( 0.000 0.000 -1.926) 1.926 3.817 ( 0.000 0.000 -14.599) 14.599 3.905 ( 0.000 0.000 6.192) 6.192 3.924 ( 0.000 0.000 1.314) 1.314 4.016 ( 0.000 0.000 -4.647) 4.647 4.052 ( 0.000 0.000 -0.547) 0.547 4.191 ( 0.000 0.000 -3.157) 3.157 4.202 ( 0.000 0.000 -3.321) 3.321 4.379 ( 0.000 0.000 -13.550) 13.550 4.455 ( 0.000 0.000 4.533) 4.533 4.512 ( 0.000 0.000 3.446) 3.446 4.561 ( 0.000 0.000 3.460) 3.460 4.592 ( 0.000 0.000 -3.067) 3.067 4.744 ( 0.000 0.000 -2.761) 2.761 4.879 ( 0.000 0.000 -8.915) 8.915 5.282 ( 0.000 0.000 1.010) 1.010 5.304 ( 0.000 0.000 -8.090) 8.090 5.392 ( 0.000 0.000 -4.888) 4.888 5.431 ( 0.000 0.000 3.208) 3.208 5.464 ( 0.000 0.000 -14.223) 14.223 5.551 ( 0.000 0.000 -0.533) 0.533 5.770 ( 0.000 0.000 3.799) 3.799 5.919 ( 0.000 0.000 0.113) 0.113 5.958 ( 0.000 0.000 3.972) 3.972 6.064 ( 0.000 0.000 -2.031) 2.031 6.266 ( 0.000 0.000 4.253) 4.253 6.526 ( 0.000 0.000 -7.901) 7.901 6.757 ( 0.000 0.000 15.353) 15.353 6.948 ( 0.000 0.000 7.498) 7.498 7.096 ( 0.000 0.000 1.326) 1.326 7.307 ( 0.000 0.000 -7.580) 7.580 7.908 ( 0.000 0.000 0.456) 0.456 7.955 ( 0.000 0.000 4.938) 4.938 8.129 ( 0.000 0.000 -9.385) 9.385 8.214 ( 0.000 0.000 -5.523) 5.523 9.280 ( 0.000 0.000 1.999) 1.999 9.287 ( 0.000 0.000 0.583) 0.583 9.375 ( 0.000 0.000 11.958) 11.958 9.723 ( 0.000 0.000 -5.341) 5.341 10.568 ( 0.000 0.000 7.848) 7.848 10.571 ( 0.000 0.000 0.704) 0.704 10.595 ( 0.000 0.000 0.993) 0.993 10.790 ( 0.000 0.000 -1.733) 1.733 11.425 ( 0.000 0.000 9.923) 9.923 11.663 ( 0.000 0.000 9.622) 9.622 11.772 ( 0.000 0.000 -6.176) 6.176 12.078 ( 0.000 0.000 -8.379) 8.379 12.284 ( 0.000 0.000 -1.325) 1.325 12.418 ( 0.000 0.000 -9.377) 9.377 12.706 ( 0.000 0.000 0.199) 0.199 12.723 ( 0.000 0.000 -1.232) 1.232 12.830 ( 0.000 0.000 10.828) 10.828 13.240 ( 0.000 0.000 -6.522) 6.522 13.248 ( 0.000 0.000 9.389) 9.389 13.685 ( 0.000 0.000 -10.985) 10.985 14.426 ( 0.000 0.000 6.237) 6.237 14.431 ( 0.000 0.000 2.669) 2.669 14.587 ( 0.000 0.000 -2.358) 2.358 14.700 ( 0.000 0.000 4.227) 4.227 14.756 ( 0.000 0.000 -7.813) 7.813 15.049 ( 0.000 0.000 -13.820) 13.820 15.674 ( 0.000 0.000 17.423) 17.423 16.540 ( 0.000 0.000 -23.450) 23.450 20.514 ( 0.000 0.000 1.693) 1.693 20.633 ( 0.000 0.000 -4.070) 4.070 20.911 ( 0.000 0.000 2.395) 2.395 21.153 ( 0.000 0.000 -9.663) 9.663 21.674 ( 0.000 0.000 8.186) 8.186 21.942 ( 0.000 0.000 -3.170) 3.170 23.037 ( 0.000 0.000 11.919) 11.919 23.426 ( 0.000 0.000 16.036) 16.036 23.488 ( 0.000 0.000 -9.412) 9.412 23.944 ( 0.000 0.000 14.933) 14.933 23.953 ( 0.000 0.000 5.461) 5.461 24.030 ( 0.000 0.000 -12.066) 12.066 24.198 ( 0.000 0.000 -5.161) 5.161 24.326 ( 0.000 0.000 -0.409) 0.409 24.342 ( 0.000 0.000 -0.915) 0.915 24.699 ( 0.000 0.000 -20.078) 20.078 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.14 0.00 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( -4.105 0.000 19.802) 20.223 1.570 ( 8.499 0.000 18.909) 20.731 1.893 ( 2.700 0.000 10.943) 11.271 1.990 ( -2.858 0.000 3.034) 4.168 2.026 ( -4.423 0.000 7.268) 8.508 2.332 ( -2.283 0.000 -10.068) 10.324 2.434 ( 1.045 0.000 -6.132) 6.221 2.502 ( 0.425 0.000 1.028) 1.112 2.526 ( 3.323 0.000 8.996) 9.590 2.655 ( -4.934 0.000 -2.156) 5.385 2.975 ( -4.592 0.000 -0.572) 4.627 3.065 ( 2.610 0.000 12.285) 12.559 3.133 ( -9.004 0.000 -4.641) 10.130 3.315 ( 5.092 0.000 12.168) 13.190 3.340 ( 9.268 0.000 0.870) 9.309 3.594 ( -6.177 0.000 0.455) 6.194 3.656 ( -2.313 0.000 2.311) 3.269 3.790 ( -2.431 0.000 -13.324) 13.544 3.850 ( 2.510 0.000 -0.813) 2.638 3.878 ( -0.326 0.000 1.151) 1.197 3.906 ( -0.842 0.000 5.517) 5.580 3.924 ( -6.200 0.000 -2.384) 6.642 4.068 ( 5.742 0.000 -4.921) 7.563 4.127 ( -2.594 0.000 -0.958) 2.765 4.359 ( 9.411 0.000 0.711) 9.438 4.409 ( -2.139 0.000 2.810) 3.532 4.478 ( -2.335 0.000 3.062) 3.851 4.526 ( -6.017 0.000 -3.145) 6.790 4.570 ( 6.230 0.000 -5.219) 8.127 4.611 ( 4.614 0.000 -2.008) 5.031 4.706 ( 2.884 0.000 -2.657) 3.921 4.934 ( 4.023 0.000 -8.544) 9.444 5.191 ( -7.735 0.000 -4.192) 8.798 5.283 ( 0.555 0.000 1.378) 1.485 5.426 ( 2.747 0.000 -3.638) 4.558 5.445 ( 0.670 0.000 -6.221) 6.257 5.592 ( 7.029 0.000 -2.674) 7.521 5.688 ( 9.901 0.000 -0.124) 9.902 5.712 ( -4.300 0.000 4.848) 6.480 5.909 ( -4.063 0.000 2.540) 4.791 5.942 ( 3.825 0.000 0.795) 3.907 6.055 ( -0.806 0.000 -2.482) 2.609 6.263 ( -0.599 0.000 3.839) 3.886 6.519 ( -0.241 0.000 -7.801) 7.805 6.702 ( -4.858 0.000 13.633) 14.473 6.909 ( -4.049 0.000 6.085) 7.309 7.025 ( -6.476 0.000 1.593) 6.670 7.214 ( -8.066 0.000 -7.551) 11.049 7.935 ( 2.408 0.000 2.689) 3.609 7.976 ( 2.227 0.000 4.290) 4.834 8.194 ( 5.401 0.000 -9.097) 10.579 8.232 ( 1.507 0.000 -6.071) 6.255 9.227 ( -3.891 0.000 5.444) 6.691 9.244 ( -2.819 0.000 1.643) 3.263 9.404 ( 1.105 0.000 5.166) 5.282 9.710 ( -1.714 0.000 -6.042) 6.281 10.564 ( 2.005 0.000 5.781) 6.119 10.627 ( 5.045 0.000 0.943) 5.133 10.708 ( 7.835 0.000 1.210) 7.928 10.846 ( 5.025 0.000 -3.076) 5.891 11.396 ( -2.623 0.000 8.711) 9.097 11.541 ( -8.768 0.000 5.979) 10.613 11.798 ( -0.239 0.000 -3.523) 3.531 12.006 ( -6.100 0.000 -8.246) 10.257 12.331 ( 4.171 0.000 -0.937) 4.275 12.444 ( 1.814 0.000 -6.297) 6.553 12.666 ( -3.049 0.000 1.616) 3.450 12.713 ( -1.005 0.000 -3.272) 3.423 12.857 ( 1.367 0.000 8.980) 9.083 13.064 ( -11.827 0.000 3.587) 12.359 13.224 ( -5.363 0.000 -2.529) 5.929 13.292 ( -24.750 0.000 -3.511) 24.998 14.469 ( 2.910 0.000 0.088) 2.911 14.547 ( -1.778 0.000 -2.007) 2.681 14.628 ( 1.468 0.000 1.233) 1.917 14.789 ( 1.937 0.000 -6.214) 6.508 14.858 ( 19.792 0.000 0.205) 19.793 15.042 ( 1.382 0.000 -7.151) 7.283 15.713 ( 2.427 0.000 13.086) 13.309 16.471 ( -6.560 0.000 -20.700) 21.715 20.490 ( -1.592 0.000 1.881) 2.464 20.572 ( -2.691 0.000 -1.656) 3.160 20.988 ( 3.338 0.000 -2.147) 3.969 21.100 ( -5.515 0.000 -5.640) 7.888 21.781 ( 9.858 0.000 6.082) 11.583 22.027 ( 8.403 0.000 -2.952) 8.906 23.017 ( -2.698 0.000 13.974) 14.232 23.392 ( -1.658 0.000 12.744) 12.852 23.571 ( 7.255 0.000 -9.643) 12.068 23.733 ( -13.442 0.000 -2.216) 13.624 23.899 ( -4.004 0.000 14.016) 14.576 24.183 ( 6.911 0.000 -4.188) 8.081 24.254 ( 4.280 0.000 -4.177) 5.980 24.318 ( -1.649 0.000 -2.700) 3.163 24.333 ( 0.723 0.000 0.015) 0.723 24.669 ( -3.153 0.000 -18.539) 18.805 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.29 0.00 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 0.332 0.000 15.343) 15.347 1.739 ( 2.713 0.000 7.497) 7.973 1.940 ( 3.323 0.000 11.400) 11.874 1.950 ( -0.929 0.000 5.087) 5.172 2.010 ( 5.176 0.000 7.670) 9.253 2.248 ( -7.791 0.000 -13.996) 16.018 2.409 ( -4.216 0.000 -1.483) 4.469 2.451 ( -1.152 0.000 -2.419) 2.679 2.584 ( -0.329 0.000 3.180) 3.197 2.653 ( 0.771 0.000 -6.139) 6.187 2.828 ( -4.412 0.000 -5.560) 7.098 2.914 ( -9.793 0.000 1.044) 9.849 3.052 ( -1.772 0.000 11.435) 11.572 3.440 ( -3.515 0.000 0.061) 3.515 3.522 ( 5.778 0.000 5.941) 8.287 3.537 ( 5.991 0.000 -2.246) 6.398 3.620 ( 1.716 0.000 2.051) 2.674 3.680 ( -6.513 0.000 -9.585) 11.588 3.877 ( 6.048 0.000 1.258) 6.177 3.885 ( 3.868 0.000 -0.421) 3.891 3.937 ( 1.554 0.000 2.947) 3.332 3.983 ( 5.583 0.000 1.797) 5.865 4.101 ( 0.703 0.000 -2.893) 2.977 4.190 ( 3.064 0.000 -4.446) 5.400 4.306 ( -6.445 0.000 -0.059) 6.446 4.365 ( -7.555 0.000 -5.269) 9.211 4.412 ( -3.881 0.000 7.861) 8.767 4.537 ( 6.284 0.000 4.983) 8.020 4.631 ( 5.191 0.000 1.033) 5.292 4.748 ( 5.553 0.000 -4.546) 7.177 4.910 ( -4.819 0.000 -9.095) 10.293 4.923 ( 12.065 0.000 -7.324) 14.114 5.066 ( -5.169 0.000 2.428) 5.710 5.296 ( -0.644 0.000 0.313) 0.717 5.447 ( -0.974 0.000 -4.668) 4.768 5.461 ( -1.535 0.000 -0.420) 1.592 5.622 ( -1.811 0.000 1.914) 2.634 5.659 ( 2.303 0.000 3.687) 4.347 5.819 ( -3.729 0.000 4.778) 6.061 5.926 ( 10.864 0.000 0.302) 10.868 6.036 ( -0.180 0.000 1.999) 2.008 6.109 ( 9.434 0.000 1.052) 9.493 6.244 ( -0.140 0.000 2.525) 2.529 6.542 ( 3.036 0.000 -10.288) 10.726 6.580 ( -6.356 0.000 9.451) 11.390 6.759 ( -10.191 0.000 5.285) 11.479 6.844 ( -10.418 0.000 1.600) 10.540 7.026 ( -8.615 0.000 -9.224) 12.622 8.001 ( 3.864 0.000 5.978) 7.118 8.052 ( 4.920 0.000 3.239) 5.891 8.257 ( 0.150 0.000 -3.798) 3.801 8.302 ( 3.373 0.000 -6.727) 7.525 9.169 ( -0.869 0.000 4.407) 4.491 9.206 ( 0.508 0.000 -0.922) 1.053 9.395 ( -2.156 0.000 0.776) 2.291 9.634 ( -5.716 0.000 -6.853) 8.924 10.651 ( 5.964 0.000 4.710) 7.600 10.759 ( 6.990 0.000 0.576) 7.013 10.884 ( 7.908 0.000 -1.515) 8.052 10.973 ( 5.751 0.000 -4.953) 7.590 11.336 ( -1.830 0.000 4.805) 5.142 11.350 ( -8.297 0.000 5.063) 9.720 11.717 ( -7.717 0.000 -3.689) 8.553 11.843 ( -9.412 0.000 -7.910) 12.295 12.444 ( 6.151 0.000 0.126) 6.152 12.482 ( 1.977 0.000 -0.348) 2.007 12.599 ( -2.967 0.000 3.090) 4.284 12.681 ( -2.070 0.000 -4.830) 5.254 12.803 ( -8.215 0.000 2.207) 8.506 12.817 ( -9.627 0.000 -0.455) 9.638 12.938 ( -6.040 0.000 -0.151) 6.042 13.069 ( -8.591 0.000 -2.023) 8.826 14.502 ( -1.642 0.000 -1.574) 2.275 14.532 ( 3.176 0.000 -2.698) 4.167 14.601 ( -2.549 0.000 3.189) 4.082 14.780 ( -2.653 0.000 -4.521) 5.242 15.174 ( 10.461 0.000 0.354) 10.467 15.286 ( 19.119 0.000 -5.601) 19.923 15.726 ( -1.896 0.000 7.552) 7.786 16.273 ( -11.962 0.000 -15.244) 19.377 20.480 ( 1.231 0.000 2.693) 2.961 20.575 ( 2.971 0.000 -2.196) 3.694 20.929 ( -10.058 0.000 -0.325) 10.063 20.976 ( -4.274 0.000 -4.948) 6.538 22.050 ( 14.734 0.000 5.126) 15.600 22.288 ( 15.787 0.000 -2.606) 16.001 22.894 ( -9.032 0.000 14.650) 17.210 23.412 ( 3.669 0.000 9.966) 10.619 23.416 ( -16.454 0.000 -0.846) 16.476 23.766 ( 10.351 0.000 -12.513) 16.239 23.791 ( -5.952 0.000 12.830) 14.143 24.248 ( -1.430 0.000 -5.335) 5.523 24.327 ( 3.092 0.000 -4.634) 5.571 24.329 ( 2.303 0.000 -3.021) 3.799 24.361 ( 1.899 0.000 -0.164) 1.906 24.567 ( -5.976 0.000 -13.766) 15.007 ======================= Grid point 108 (40/60) ======================= q-point: ( 0.43 0.00 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 11.406 0.000 4.224) 12.163 1.751 ( 3.855 0.000 -3.885) 5.473 1.832 ( -11.158 0.000 0.476) 11.168 1.937 ( -11.436 0.000 -6.633) 13.220 2.141 ( 6.008 0.000 5.326) 8.028 2.210 ( 10.357 0.000 7.024) 12.514 2.264 ( -6.559 0.000 2.001) 6.857 2.409 ( -5.792 0.000 1.471) 5.976 2.614 ( 3.956 0.000 3.635) 5.373 2.671 ( 1.779 0.000 -7.626) 7.830 2.728 ( -5.986 0.000 0.768) 6.035 2.746 ( -5.687 0.000 0.707) 5.731 3.128 ( 8.821 0.000 4.886) 10.084 3.360 ( -11.836 0.000 2.456) 12.089 3.431 ( 2.425 0.000 -6.010) 6.481 3.515 ( -5.098 0.000 -7.141) 8.774 3.751 ( 10.193 0.000 2.105) 10.408 3.848 ( 10.814 0.000 4.182) 11.594 3.930 ( -4.035 0.000 4.737) 6.222 3.982 ( 4.322 0.000 1.755) 4.665 3.985 ( -0.992 0.000 3.276) 3.423 4.081 ( 5.153 0.000 -2.979) 5.952 4.106 ( -8.151 0.000 1.044) 8.217 4.167 ( 0.334 0.000 -6.938) 6.946 4.245 ( 2.103 0.000 -3.153) 3.790 4.275 ( 5.470 0.000 -3.718) 6.614 4.331 ( -4.415 0.000 0.696) 4.470 4.540 ( -13.004 0.000 -8.307) 15.431 4.709 ( 6.178 0.000 2.960) 6.850 4.837 ( 13.204 0.000 -0.187) 13.205 4.897 ( -9.886 0.000 3.973) 10.654 5.067 ( 12.879 0.000 1.624) 12.981 5.085 ( -4.531 0.000 -1.698) 4.839 5.235 ( 3.068 0.000 -6.031) 6.767 5.323 ( -10.453 0.000 2.849) 10.834 5.381 ( -5.933 0.000 -2.917) 6.612 5.652 ( 4.646 0.000 6.494) 7.985 5.747 ( -3.726 0.000 6.614) 7.591 5.791 ( 7.403 0.000 1.928) 7.650 5.926 ( -5.387 0.000 -0.738) 5.437 6.217 ( 10.799 0.000 6.673) 12.694 6.281 ( 7.945 0.000 2.622) 8.367 6.312 ( 5.697 0.000 -0.342) 5.708 6.447 ( -4.586 0.000 6.438) 7.905 6.483 ( -11.069 0.000 2.388) 11.324 6.600 ( -12.411 0.000 2.171) 12.600 6.695 ( 7.179 0.000 -9.962) 12.279 6.859 ( -7.781 0.000 -10.671) 13.207 8.100 ( 5.504 0.000 6.183) 8.278 8.175 ( 6.459 0.000 1.629) 6.661 8.212 ( -4.403 0.000 2.478) 5.053 8.294 ( -3.956 0.000 -1.641) 4.283 9.208 ( 4.337 0.000 0.150) 4.340 9.294 ( 7.501 0.000 -5.255) 9.159 9.316 ( -5.040 0.000 -1.057) 5.150 9.477 ( -8.855 0.000 -6.969) 11.269 10.800 ( 7.846 0.000 3.283) 8.505 10.902 ( 6.334 0.000 -0.225) 6.338 10.946 ( -4.052 0.000 0.360) 4.068 11.008 ( -2.895 0.000 -1.822) 3.420 11.297 ( 5.556 0.000 0.995) 5.645 11.396 ( 8.078 0.000 -3.624) 8.854 11.501 ( -11.573 0.000 -2.674) 11.878 11.617 ( -11.602 0.000 -7.470) 13.799 12.531 ( 2.675 0.000 1.805) 3.227 12.538 ( 1.534 0.000 3.094) 3.454 12.559 ( -0.932 0.000 2.564) 2.728 12.602 ( -4.429 0.000 -0.108) 4.430 12.725 ( 2.881 0.000 -3.737) 4.719 12.753 ( 3.149 0.000 -4.730) 5.682 12.838 ( -5.616 0.000 -1.257) 5.756 12.886 ( -8.382 0.000 -1.925) 8.601 14.495 ( 1.107 0.000 0.714) 1.317 14.541 ( -2.897 0.000 2.725) 3.978 14.609 ( 4.240 0.000 -3.154) 5.284 14.703 ( -4.360 0.000 -3.389) 5.522 15.417 ( 11.496 0.000 2.449) 11.754 15.624 ( -7.719 0.000 4.200) 8.788 15.656 ( 16.543 0.000 -7.971) 18.363 15.987 ( -14.960 0.000 -10.739) 18.415 20.553 ( 5.723 0.000 3.328) 6.620 20.683 ( 6.893 0.000 -4.011) 7.975 20.715 ( -9.515 0.000 2.575) 9.857 20.842 ( -7.667 0.000 -5.197) 9.262 22.365 ( 14.872 0.000 7.293) 16.564 22.655 ( 18.592 0.000 -2.012) 18.701 22.659 ( -12.908 0.000 11.132) 17.045 23.047 ( -18.451 0.000 -1.365) 18.502 23.522 ( 6.241 0.000 10.817) 12.488 23.659 ( -6.582 0.000 11.947) 13.640 23.983 ( 9.991 0.000 -12.974) 16.375 24.164 ( -6.644 0.000 -11.427) 13.218 24.367 ( 1.480 0.000 -1.882) 2.395 24.385 ( 0.014 0.000 -1.329) 1.329 24.388 ( 2.689 0.000 -4.106) 4.909 24.455 ( -4.123 0.000 -6.726) 7.889 ======================= Grid point 112 (41/60) ======================= q-point: ( 0.00 0.20 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 0.000 3.309 20.500) 20.765 1.583 ( 0.000 3.518 16.043) 16.424 1.933 ( 0.000 5.813 8.465) 10.268 2.029 ( 0.000 -4.698 3.888) 6.099 2.076 ( 0.000 4.446 8.101) 9.241 2.376 ( 0.000 -0.018 1.694) 1.694 2.418 ( 0.000 3.183 -5.635) 6.472 2.500 ( 0.000 5.824 -5.262) 7.849 2.559 ( 0.000 -0.189 17.426) 17.427 2.819 ( 0.000 3.419 5.556) 6.524 2.850 ( 0.000 -1.772 6.273) 6.519 3.041 ( 0.000 -7.173 2.417) 7.570 3.172 ( 0.000 -8.546 8.122) 11.790 3.175 ( 0.000 2.707 -2.024) 3.380 3.224 ( 0.000 -5.057 -3.424) 6.107 3.557 ( 0.000 -8.921 -3.149) 9.460 3.681 ( 0.000 -1.971 9.381) 9.586 3.740 ( 0.000 -2.062 -4.703) 5.135 3.802 ( 0.000 -1.636 -7.060) 7.247 3.934 ( 0.000 1.714 0.060) 1.716 4.031 ( 0.000 5.989 -1.632) 6.208 4.090 ( 0.000 8.447 1.705) 8.618 4.098 ( 0.000 4.335 0.242) 4.342 4.118 ( 0.000 -7.708 -6.697) 10.211 4.271 ( 0.000 6.334 -3.049) 7.030 4.409 ( 0.000 -5.307 2.032) 5.683 4.413 ( 0.000 3.752 -11.300) 11.906 4.493 ( 0.000 -0.526 3.848) 3.883 4.540 ( 0.000 -5.345 -2.410) 5.863 4.607 ( 0.000 2.788 3.474) 4.454 4.798 ( 0.000 3.479 -4.405) 5.614 4.867 ( 0.000 -1.311 -9.004) 9.099 5.149 ( 0.000 -1.159 1.921) 2.243 5.413 ( 0.000 3.004 -1.015) 3.171 5.452 ( 0.000 1.617 4.153) 4.456 5.488 ( 0.000 8.283 -5.167) 9.763 5.550 ( 0.000 -0.085 -0.046) 0.096 5.564 ( 0.000 8.605 -14.139) 16.552 5.772 ( 0.000 -0.326 2.546) 2.567 5.874 ( 0.000 -4.109 1.629) 4.421 5.985 ( 0.000 3.045 2.048) 3.669 6.049 ( 0.000 -1.236 -1.634) 2.049 6.262 ( 0.000 -1.001 0.389) 1.074 6.424 ( 0.000 -10.104 -6.969) 12.274 6.747 ( 0.000 -0.308 14.601) 14.604 6.927 ( 0.000 -2.297 7.013) 7.380 7.107 ( 0.000 1.397 -0.101) 1.401 7.287 ( 0.000 -2.088 -7.679) 7.957 7.905 ( 0.000 -0.161 1.344) 1.354 7.944 ( 0.000 -0.986 4.881) 4.980 8.146 ( 0.000 1.601 -9.329) 9.466 8.218 ( 0.000 0.162 -6.248) 6.250 9.266 ( 0.000 0.583 4.068) 4.110 9.363 ( 0.000 -1.189 11.270) 11.332 9.364 ( 0.000 5.650 -1.095) 5.755 9.694 ( 0.000 -3.081 -5.127) 5.981 10.572 ( 0.000 0.419 1.485) 1.543 10.580 ( 0.000 1.038 6.913) 6.990 10.615 ( 0.000 1.838 0.392) 1.879 10.772 ( 0.000 -1.899 -1.262) 2.280 11.425 ( 0.000 0.238 9.952) 9.955 11.618 ( 0.000 -4.260 9.554) 10.461 11.781 ( 0.000 1.199 -6.819) 6.924 12.029 ( 0.000 -4.709 -8.370) 9.604 12.359 ( 0.000 7.522 -0.191) 7.525 12.491 ( 0.000 6.577 -7.478) 9.958 12.681 ( 0.000 -1.134 1.495) 1.877 12.751 ( 0.000 0.777 -1.937) 2.086 12.844 ( 0.000 1.677 10.393) 10.528 13.197 ( 0.000 -5.170 8.572) 10.011 13.241 ( 0.000 0.165 -6.186) 6.189 13.566 ( 0.000 -10.671 -7.137) 12.838 14.472 ( 0.000 4.308 5.480) 6.970 14.485 ( 0.000 4.457 0.269) 4.465 14.591 ( 0.000 0.347 -1.977) 2.007 14.658 ( 0.000 -2.341 0.148) 2.346 14.837 ( 0.000 6.067 -2.278) 6.481 15.110 ( 0.000 7.000 -13.579) 15.277 15.547 ( 0.000 -12.502 15.390) 19.828 16.257 ( 0.000 -25.292 -16.908) 30.424 20.546 ( 0.000 2.914 2.476) 3.824 20.758 ( 0.000 10.725 -8.148) 13.469 20.865 ( 0.000 -4.589 3.077) 5.525 21.136 ( 0.000 -1.867 -10.336) 10.503 21.855 ( 0.000 16.742 6.650) 18.014 22.086 ( 0.000 14.960 -2.826) 15.225 22.917 ( 0.000 -12.134 11.186) 16.504 23.209 ( 0.000 -14.260 1.336) 14.322 23.636 ( 0.000 6.826 7.661) 10.261 23.917 ( 0.000 -3.400 7.942) 8.640 23.966 ( 0.000 3.516 6.399) 7.301 24.077 ( 0.000 3.664 -6.472) 7.437 24.203 ( 0.000 -0.107 -4.743) 4.745 24.289 ( 0.000 -3.304 0.100) 3.305 24.383 ( 0.000 3.850 -5.683) 6.864 24.671 ( 0.000 -2.918 -19.506) 19.723 ======================= Grid point 113 (42/60) ======================= q-point: ( 0.14 0.20 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -2.852 4.601 17.543) 18.359 1.574 ( 5.146 0.806 19.477) 20.162 1.953 ( -1.954 0.699 6.617) 6.935 1.967 ( -3.313 -2.959 10.699) 11.584 2.043 ( 0.510 6.696 4.071) 7.853 2.317 ( -2.615 0.188 -4.705) 5.386 2.469 ( -4.383 -0.057 2.434) 5.014 2.510 ( 3.375 1.835 -2.243) 4.448 2.584 ( 3.707 5.401 3.900) 7.624 2.690 ( -4.006 3.349 -2.655) 5.858 2.905 ( -6.457 -4.239 -2.663) 8.171 3.032 ( 1.991 -3.031 11.782) 12.328 3.117 ( -7.397 -4.158 -4.635) 9.668 3.191 ( 7.163 -5.345 7.452) 11.636 3.328 ( 7.411 -4.815 -0.242) 8.841 3.568 ( -0.095 -6.529 -3.306) 7.319 3.638 ( -2.782 3.608 3.898) 5.996 3.778 ( 3.378 -3.770 -1.616) 5.314 3.818 ( -0.602 0.863 -7.503) 7.576 3.893 ( -1.711 3.734 -0.522) 4.140 3.986 ( -3.234 4.705 0.157) 5.711 4.056 ( -0.455 1.803 -0.687) 1.982 4.088 ( -0.060 8.713 -0.314) 8.719 4.138 ( 2.137 0.592 -0.061) 2.218 4.314 ( -3.573 -5.400 1.025) 6.556 4.386 ( 5.531 -0.374 0.721) 5.591 4.470 ( -3.823 -3.297 -2.131) 5.479 4.503 ( 1.034 1.819 0.705) 2.208 4.557 ( 7.619 0.406 -4.107) 8.665 4.682 ( -2.614 2.188 -2.951) 4.509 4.717 ( 5.543 1.584 -1.275) 5.904 4.931 ( 2.327 -1.010 -8.556) 8.924 5.132 ( -1.771 -0.128 1.842) 2.558 5.377 ( -3.466 4.356 -1.958) 5.901 5.426 ( -0.661 1.743 -1.247) 2.243 5.499 ( -1.113 4.338 -6.707) 8.065 5.598 ( 5.562 -0.395 3.208) 6.433 5.681 ( 5.598 0.498 -3.000) 6.371 5.733 ( -2.438 1.571 3.121) 4.261 5.868 ( 0.794 -6.112 1.936) 6.460 5.928 ( -3.635 0.955 0.563) 3.800 6.077 ( 3.609 1.968 -2.662) 4.898 6.285 ( 0.895 1.571 1.265) 2.207 6.452 ( 1.941 -6.649 -7.254) 10.030 6.696 ( -4.354 0.149 12.538) 13.274 6.888 ( -3.909 -1.989 6.379) 7.742 7.033 ( -6.643 0.745 0.657) 6.717 7.197 ( -7.638 -1.623 -7.683) 10.955 7.870 ( -0.069 -3.755 4.020) 5.502 8.036 ( 5.034 3.293 3.148) 6.789 8.191 ( 3.574 -0.127 -9.922) 10.547 8.243 ( 2.688 0.881 -5.509) 6.193 9.193 ( -4.931 -1.018 6.910) 8.550 9.316 ( -2.301 4.080 3.472) 5.831 9.414 ( 1.326 1.606 1.865) 2.796 9.685 ( -1.387 -2.693 -5.914) 6.645 10.566 ( 1.126 0.189 5.413) 5.533 10.635 ( 5.550 0.959 1.444) 5.814 10.719 ( 7.298 1.005 0.425) 7.379 10.829 ( 5.125 -1.713 -2.939) 6.151 11.369 ( -5.010 -2.120 9.031) 10.542 11.553 ( -5.227 0.727 6.746) 8.565 11.775 ( -1.606 -1.780 -5.186) 5.713 11.979 ( -4.675 -2.772 -8.013) 9.682 12.393 ( 3.030 6.083 -0.001) 6.796 12.488 ( -0.339 3.932 -4.080) 5.677 12.657 ( -1.991 -0.047 0.608) 2.082 12.734 ( -1.150 1.103 -2.907) 3.315 12.852 ( -0.883 -0.416 9.019) 9.072 13.051 ( -9.517 -1.389 3.910) 10.382 13.192 ( -8.895 -2.782 -2.302) 9.600 13.276 ( -17.058 -1.871 -3.507) 17.515 14.472 ( 3.128 0.701 0.944) 3.342 14.554 ( -1.974 0.713 -1.842) 2.793 14.622 ( 0.193 -0.591 0.684) 0.925 14.736 ( 4.329 -3.231 -5.347) 7.601 14.943 ( 13.372 6.576 -0.099) 14.902 15.097 ( 1.217 5.505 -5.777) 8.072 15.607 ( 3.921 -10.159 10.550) 15.162 16.239 ( -2.204 -20.609 -15.930) 26.141 20.539 ( 0.129 3.340 1.515) 3.670 20.662 ( -5.330 8.718 -3.298) 10.737 20.919 ( 1.915 -4.907 0.766) 5.323 21.165 ( -0.032 3.390 -10.246) 10.793 21.899 ( 5.131 12.080 6.904) 14.830 22.144 ( 5.826 12.208 -2.751) 13.804 22.889 ( -2.977 -12.350 11.880) 17.393 23.205 ( -0.921 -14.942 2.104) 15.118 23.642 ( 1.012 3.333 5.435) 6.455 23.777 ( -7.730 3.811 3.683) 9.372 23.962 ( -2.240 5.907 5.691) 8.503 24.177 ( 6.478 -1.126 -3.884) 7.637 24.232 ( 1.540 -1.061 -3.728) 4.170 24.305 ( 1.527 -2.461 0.409) 2.925 24.369 ( -0.462 3.972 -6.565) 7.687 24.646 ( -2.646 -2.294 -17.893) 18.233 ======================= Grid point 114 (43/60) ======================= q-point: ( 0.29 0.20 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( -0.419 5.297 14.378) 15.329 1.715 ( 5.244 -1.619 11.729) 12.949 1.842 ( -3.171 -5.074 8.023) 10.008 1.922 ( -0.592 -4.527 6.305) 7.785 2.136 ( 1.395 8.614 3.580) 9.432 2.257 ( -4.198 0.554 -13.821) 14.455 2.334 ( -7.271 -6.359 2.969) 10.106 2.470 ( -2.599 1.922 -1.788) 3.694 2.598 ( -6.979 -0.940 -5.651) 9.029 2.697 ( 4.678 4.948 3.109) 7.486 2.826 ( 2.201 4.827 -2.221) 5.752 2.987 ( -5.369 3.041 -3.908) 7.304 3.027 ( 0.509 -1.078 9.068) 9.146 3.364 ( 4.191 -7.908 6.333) 10.964 3.417 ( -1.038 -8.300 -2.863) 8.841 3.527 ( 0.960 -0.368 -1.646) 1.941 3.639 ( 3.791 2.705 -1.115) 4.788 3.743 ( -5.070 3.829 -1.292) 6.484 3.846 ( 1.720 -0.691 -4.414) 4.787 3.937 ( 2.166 0.794 -2.486) 3.391 3.991 ( 4.218 -0.707 3.583) 5.579 4.052 ( 3.078 6.499 2.281) 7.544 4.124 ( 4.001 8.151 -0.582) 9.099 4.192 ( -0.865 -0.719 -2.552) 2.789 4.232 ( -2.997 -4.500 -1.801) 5.699 4.356 ( -0.363 -1.211 0.752) 1.471 4.466 ( -5.239 5.664 2.810) 8.211 4.559 ( 5.737 1.136 4.973) 7.677 4.655 ( 4.586 1.796 0.679) 4.971 4.756 ( 3.894 -0.100 -4.653) 6.068 4.845 ( 5.541 -3.757 -5.650) 8.760 4.940 ( 2.087 -0.607 -7.221) 7.541 5.062 ( -5.409 -0.104 1.962) 5.754 5.299 ( -4.332 0.734 -1.526) 4.652 5.393 ( -3.148 -3.841 -0.691) 5.014 5.460 ( -4.122 -1.207 -5.220) 6.760 5.654 ( 0.587 2.099 4.337) 4.853 5.697 ( 1.078 0.515 2.780) 3.025 5.767 ( 1.237 0.999 2.909) 3.315 5.911 ( 5.576 -7.665 9.274) 13.261 5.960 ( 5.458 -0.499 -4.471) 7.073 6.194 ( 5.544 5.092 0.490) 7.543 6.270 ( -1.740 1.614 2.445) 3.407 6.493 ( 1.834 -3.764 -8.157) 9.168 6.596 ( -4.400 1.943 6.633) 8.194 6.758 ( -8.174 -0.064 4.681) 9.420 6.853 ( -9.560 0.322 1.349) 9.660 7.027 ( -7.485 0.083 -8.889) 11.620 7.916 ( 4.291 -4.984 5.926) 8.853 8.132 ( 4.261 4.454 3.260) 6.972 8.259 ( 2.017 0.059 -6.131) 6.455 8.302 ( 1.503 0.128 -4.424) 4.674 9.131 ( 0.338 -1.785 5.059) 5.375 9.275 ( -0.970 4.518 0.401) 4.639 9.406 ( -2.149 1.352 -1.014) 2.734 9.615 ( -5.429 -2.060 -6.783) 8.929 10.632 ( 4.905 -1.442 5.234) 7.316 10.780 ( 7.557 1.708 0.284) 7.752 10.886 ( 7.810 0.156 -2.201) 8.116 10.956 ( 5.312 -1.534 -4.916) 7.398 11.252 ( -4.077 -4.312 6.011) 8.447 11.432 ( -5.580 4.292 3.592) 7.903 11.684 ( -7.286 -3.092 -4.676) 9.193 11.836 ( -8.959 -0.763 -7.502) 11.710 12.450 ( 0.763 0.196 2.817) 2.925 12.500 ( 2.768 2.032 -0.394) 3.456 12.616 ( -1.656 1.401 0.592) 2.248 12.686 ( -4.520 -0.771 -3.365) 5.687 12.759 ( -4.390 -0.021 3.291) 5.487 12.869 ( -8.939 2.438 -0.891) 9.308 12.948 ( -5.429 1.019 -0.176) 5.526 13.072 ( -8.066 -0.208 -2.318) 8.395 14.509 ( -1.593 0.681 -1.237) 2.129 14.539 ( 2.745 0.771 -2.186) 3.593 14.596 ( -2.145 -0.593 2.592) 3.417 14.740 ( -2.067 -3.761 -3.995) 5.863 15.191 ( 9.218 1.708 0.753) 9.406 15.305 ( 16.284 1.921 -4.218) 16.931 15.651 ( -0.348 -7.119 5.866) 9.231 16.142 ( -7.295 -11.547 -13.492) 19.198 20.572 ( 2.106 7.116 0.403) 7.432 20.600 ( 0.949 3.582 -0.538) 3.744 20.894 ( -4.409 -1.597 1.002) 4.795 21.079 ( -7.432 7.057 -7.141) 12.491 22.081 ( 11.409 3.711 6.416) 13.605 22.331 ( 11.538 4.754 -1.885) 12.620 22.786 ( -6.702 -9.968 11.198) 16.422 23.138 ( -6.356 -16.032 1.122) 17.283 23.611 ( -3.244 7.613 6.896) 10.772 23.712 ( 0.289 -0.349 7.862) 7.875 23.932 ( 1.091 8.622 -4.646) 9.855 24.229 ( -1.235 -2.471 -6.781) 7.322 24.294 ( 3.834 -0.508 -2.257) 4.478 24.339 ( 1.481 -1.540 -0.436) 2.180 24.388 ( 1.690 2.834 -5.249) 6.200 24.558 ( -5.253 -1.000 -13.196) 14.238 ======================= Grid point 115 (44/60) ======================= q-point: ( 0.43 0.20 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 9.834 2.576 3.358) 10.706 1.734 ( 2.728 -1.388 -1.503) 3.410 1.840 ( -8.067 0.277 -0.490) 8.087 1.920 ( -12.029 -1.328 -7.423) 14.197 1.977 ( 7.579 -9.037 9.373) 15.066 2.156 ( -9.283 -8.024 3.918) 12.881 2.268 ( 3.223 -0.642 -0.395) 3.310 2.371 ( -5.723 -4.811 -2.921) 8.027 2.656 ( 9.200 8.500 1.528) 12.618 2.776 ( 3.115 8.888 2.635) 9.780 2.830 ( -3.154 7.793 1.030) 8.470 2.860 ( -6.490 8.689 -1.763) 10.988 3.123 ( 8.142 -0.444 4.220) 9.181 3.304 ( -7.490 -4.776 1.917) 9.088 3.411 ( 2.684 -2.991 -4.766) 6.234 3.513 ( -5.614 -1.979 -3.075) 6.700 3.729 ( 5.264 -1.911 3.671) 6.696 3.761 ( 4.611 -2.882 1.706) 5.699 3.851 ( 0.021 -4.033 0.310) 4.045 3.920 ( -3.377 -4.954 -1.020) 6.082 4.093 ( 0.122 2.482 2.575) 3.579 4.114 ( -1.931 -0.085 -2.125) 2.873 4.143 ( 6.081 3.610 -2.900) 7.644 4.243 ( 6.344 4.138 -1.608) 7.743 4.275 ( -0.492 8.088 -3.940) 9.010 4.331 ( -1.109 4.613 0.264) 4.752 4.368 ( 1.491 5.064 -0.761) 5.334 4.585 ( -11.230 4.532 -7.914) 14.467 4.696 ( 6.083 -1.291 4.439) 7.640 4.838 ( 7.100 -1.608 1.769) 7.491 4.881 ( -4.587 -0.803 1.630) 4.934 5.041 ( 9.552 -1.934 0.601) 9.764 5.088 ( -0.209 -0.812 -2.223) 2.376 5.171 ( -0.111 -4.566 -5.159) 6.890 5.275 ( -8.544 -5.184 1.608) 10.122 5.326 ( -7.508 -4.761 -3.342) 9.498 5.682 ( 2.213 1.968 7.224) 7.807 5.718 ( -0.612 -1.634 7.282) 7.488 5.837 ( 5.696 3.396 1.763) 6.862 5.946 ( -3.247 1.557 0.927) 3.718 6.137 ( 8.884 -4.934 4.326) 11.044 6.241 ( -0.037 -4.509 2.411) 5.113 6.325 ( 6.836 0.435 -0.915) 6.911 6.454 ( -4.184 -1.014 -0.063) 4.306 6.504 ( -5.059 3.428 4.871) 7.815 6.582 ( -9.262 -0.073 3.287) 9.828 6.762 ( 3.836 4.555 -6.917) 9.127 6.886 ( -6.400 2.236 -9.575) 11.732 8.042 ( 7.353 -3.873 6.672) 10.657 8.188 ( -3.975 -0.686 3.527) 5.358 8.244 ( 2.074 3.441 1.807) 4.405 8.306 ( -1.534 0.989 -3.075) 3.576 9.210 ( 5.864 0.041 0.283) 5.871 9.310 ( 4.674 1.689 -4.924) 6.996 9.329 ( -4.610 1.174 -1.542) 5.001 9.466 ( -8.291 -1.224 -6.827) 10.810 10.760 ( 6.940 -2.916 4.552) 8.797 10.894 ( -2.629 -2.279 2.596) 4.341 10.955 ( 3.129 2.222 -1.714) 4.203 11.019 ( 0.904 0.477 -4.067) 4.194 11.291 ( 6.001 -0.720 -0.975) 6.122 11.389 ( 2.820 -0.332 -1.064) 3.032 11.497 ( -7.887 -0.525 -4.877) 9.288 11.616 ( -11.219 -0.098 -7.219) 13.342 12.462 ( 1.308 -3.013 4.432) 5.516 12.510 ( -2.697 -3.120 2.938) 5.064 12.601 ( 0.403 1.854 0.554) 1.976 12.618 ( -1.340 0.624 -0.902) 1.731 12.752 ( 3.166 2.973 -2.833) 5.186 12.792 ( 2.087 3.461 -3.703) 5.481 12.849 ( -5.026 0.878 -1.068) 5.212 12.908 ( -7.382 1.798 -2.211) 7.913 14.500 ( 0.904 0.415 0.854) 1.310 14.540 ( -2.577 -0.086 2.522) 3.607 14.605 ( 3.387 -0.406 -2.565) 4.268 14.679 ( -3.475 -2.270 -2.794) 5.004 15.399 ( 9.626 -1.520 2.748) 10.126 15.554 ( -2.432 -5.519 3.805) 7.131 15.662 ( 11.321 -0.281 -7.554) 13.613 15.936 ( -12.084 -4.520 -10.757) 16.798 20.620 ( 4.020 5.829 2.781) 7.607 20.692 ( 3.225 2.772 0.096) 4.254 20.778 ( -2.934 3.891 -0.728) 4.927 20.901 ( -8.748 5.559 -5.234) 11.612 22.336 ( 12.180 -2.465 7.802) 14.674 22.538 ( -1.353 -7.507 8.282) 11.259 22.677 ( 5.363 -1.382 -0.455) 5.557 22.930 ( -12.680 -9.879 -1.265) 16.124 23.604 ( 2.232 6.394 10.028) 12.101 23.672 ( -3.465 1.399 11.617) 12.203 24.028 ( 6.767 3.872 -11.662) 14.028 24.164 ( -5.258 -0.206 -11.414) 12.568 24.350 ( 1.725 -1.092 -1.752) 2.691 24.363 ( 0.522 -1.273 -1.307) 1.897 24.416 ( 1.222 1.573 -4.552) 4.969 24.461 ( -3.398 0.385 -6.910) 7.709 ======================= Grid point 119 (45/60) ======================= q-point: ( 0.00 0.40 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( 0.000 3.643 17.398) 17.775 1.630 ( 0.000 -0.233 13.320) 13.322 1.961 ( 0.000 0.228 10.301) 10.304 2.001 ( 0.000 -0.663 5.609) 5.648 2.222 ( 0.000 9.564 8.522) 12.809 2.412 ( 0.000 -2.543 8.472) 8.845 2.423 ( 0.000 -2.346 11.937) 12.165 2.473 ( 0.000 1.042 1.425) 1.766 2.682 ( 0.000 7.422 -4.203) 8.529 2.791 ( 0.000 -4.350 -1.313) 4.544 2.888 ( 0.000 -0.293 10.799) 10.803 2.905 ( 0.000 -5.133 7.634) 9.199 3.096 ( 0.000 6.280 -3.693) 7.286 3.181 ( 0.000 0.897 -6.551) 6.612 3.208 ( 0.000 -0.291 -4.808) 4.817 3.332 ( 0.000 -13.925 -6.252) 15.264 3.686 ( 0.000 2.143 9.384) 9.626 3.739 ( 0.000 1.677 -1.910) 2.542 3.750 ( 0.000 -1.111 0.058) 1.112 3.898 ( 0.000 -10.125 -5.307) 11.432 4.021 ( 0.000 5.018 -1.802) 5.332 4.128 ( 0.000 -3.567 -0.946) 3.691 4.183 ( 0.000 8.521 -1.893) 8.728 4.242 ( 0.000 6.694 -0.523) 6.715 4.301 ( 0.000 -3.798 1.918) 4.255 4.384 ( 0.000 -5.346 -5.037) 7.345 4.417 ( 0.000 2.188 -3.056) 3.759 4.465 ( 0.000 0.490 -8.538) 8.552 4.518 ( 0.000 3.355 2.986) 4.491 4.603 ( 0.000 -3.690 1.991) 4.193 4.820 ( 0.000 0.173 -4.812) 4.815 4.836 ( 0.000 -1.522 -8.411) 8.548 5.268 ( 0.000 10.385 4.695) 11.397 5.434 ( 0.000 -5.120 7.205) 8.839 5.503 ( 0.000 5.658 3.973) 6.913 5.555 ( 0.000 0.410 0.675) 0.790 5.612 ( 0.000 3.524 -0.820) 3.618 5.702 ( 0.000 -6.561 1.460) 6.721 5.742 ( 0.000 10.088 -13.755) 17.058 5.832 ( 0.000 -0.218 -2.356) 2.366 6.013 ( 0.000 0.983 -0.091) 0.988 6.099 ( 0.000 6.234 -1.950) 6.532 6.170 ( 0.000 -13.113 -5.339) 14.158 6.214 ( 0.000 -5.669 -2.753) 6.302 6.776 ( 0.000 3.443 11.461) 11.967 6.859 ( 0.000 -4.530 7.840) 9.055 7.156 ( 0.000 3.539 -4.019) 5.356 7.229 ( 0.000 -3.755 -7.013) 7.955 7.907 ( 0.000 0.457 3.105) 3.138 7.923 ( 0.000 -1.092 4.393) 4.527 8.182 ( 0.000 1.947 -8.900) 9.111 8.211 ( 0.000 -0.952 -7.752) 7.810 9.294 ( 0.000 1.986 6.824) 7.107 9.333 ( 0.000 -1.915 9.382) 9.576 9.487 ( 0.000 6.795 -2.969) 7.415 9.609 ( 0.000 -5.612 -4.375) 7.116 10.588 ( 0.000 1.004 2.662) 2.845 10.596 ( 0.000 0.361 4.694) 4.708 10.660 ( 0.000 2.856 0.195) 2.863 10.721 ( 0.000 -3.215 -0.271) 3.227 11.448 ( 0.000 2.530 9.876) 10.195 11.523 ( 0.000 -5.014 9.614) 10.843 11.827 ( 0.000 3.724 -7.614) 8.476 11.922 ( 0.000 -5.848 -8.103) 9.993 12.544 ( 0.000 10.634 0.931) 10.675 12.612 ( 0.000 4.750 -2.234) 5.249 12.661 ( 0.000 -1.294 1.730) 2.161 12.713 ( 0.000 -5.479 -0.859) 5.546 12.915 ( 0.000 6.210 8.179) 10.270 13.064 ( 0.000 -8.250 7.158) 10.923 13.259 ( 0.000 2.342 -5.033) 5.551 13.361 ( 0.000 -8.825 -3.877) 9.639 14.556 ( 0.000 3.244 1.912) 3.766 14.561 ( 0.000 2.757 -1.463) 3.121 14.598 ( 0.000 0.409 -0.940) 1.025 14.620 ( 0.000 -1.706 -0.650) 1.826 14.986 ( 0.000 10.534 3.514) 11.105 15.252 ( 0.000 -16.383 10.560) 19.491 15.338 ( 0.000 16.908 -12.066) 20.772 15.746 ( 0.000 -25.258 -11.592) 27.791 20.629 ( 0.000 5.708 4.188) 7.079 20.752 ( 0.000 -6.660 4.207) 7.877 20.951 ( 0.000 8.448 -11.658) 14.397 21.075 ( 0.000 -4.707 -11.565) 12.486 22.223 ( 0.000 20.419 7.149) 21.634 22.472 ( 0.000 22.989 -3.381) 23.236 22.608 ( 0.000 -19.093 9.379) 21.272 22.889 ( 0.000 -19.529 -2.122) 19.644 23.743 ( 0.000 4.999 12.571) 13.529 23.837 ( 0.000 -4.721 11.609) 12.532 24.073 ( 0.000 6.698 0.134) 6.699 24.143 ( 0.000 3.008 -3.610) 4.699 24.181 ( 0.000 -2.669 -5.176) 5.824 24.205 ( 0.000 -4.841 1.090) 4.963 24.481 ( 0.000 5.925 -12.866) 14.165 24.591 ( 0.000 -5.210 -17.402) 18.165 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.14 0.40 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 2.362 1.772 16.020) 16.290 1.642 ( 0.499 2.711 14.286) 14.549 1.873 ( -5.687 -1.681 12.087) 13.463 1.961 ( -8.531 -2.540 14.738) 17.218 2.169 ( 2.156 4.138 -4.277) 6.329 2.376 ( -3.346 1.408 8.284) 9.044 2.445 ( -2.135 2.839 5.521) 6.565 2.543 ( 1.688 0.930 -1.964) 2.752 2.661 ( 0.926 1.763 -0.838) 2.161 2.723 ( -1.997 -2.202 0.395) 2.999 2.904 ( -2.335 3.274 -5.505) 6.817 2.969 ( 1.653 -3.548 7.804) 8.731 3.020 ( -2.347 -1.733 -2.503) 3.844 3.147 ( 2.478 0.724 0.596) 2.649 3.260 ( 2.742 -1.562 -1.294) 3.411 3.402 ( 4.618 -9.265 -5.781) 11.857 3.682 ( -2.436 1.078 -3.533) 4.425 3.754 ( 6.205 1.157 -0.131) 6.313 3.835 ( 3.128 0.556 -0.304) 3.191 3.946 ( 1.349 -4.552 -3.160) 5.703 3.996 ( -1.435 6.076 -0.379) 6.255 4.112 ( 0.068 -3.287 3.025) 4.468 4.163 ( -5.056 -0.184 3.225) 6.000 4.196 ( 0.226 7.830 -0.211) 7.836 4.293 ( 0.599 3.259 1.696) 3.722 4.337 ( -4.009 -5.607 -1.746) 7.111 4.447 ( 4.761 1.467 -2.480) 5.565 4.508 ( 4.155 -1.858 -4.568) 6.449 4.586 ( 5.954 1.774 -2.293) 6.622 4.692 ( -4.029 0.442 -1.736) 4.409 4.721 ( 5.887 -1.580 -0.914) 6.164 4.911 ( 0.875 -0.434 -7.543) 7.606 5.208 ( -4.855 5.063 1.951) 7.281 5.451 ( -3.511 5.356 0.496) 6.423 5.472 ( -2.115 1.167 5.397) 5.913 5.554 ( -5.156 -1.275 -3.016) 6.108 5.576 ( 3.369 -0.559 4.572) 5.707 5.684 ( -1.240 -4.104 -0.297) 4.297 5.727 ( -1.243 2.453 0.220) 2.759 5.790 ( 0.824 -2.415 -2.190) 3.362 5.940 ( -5.967 1.081 -5.206) 7.992 6.143 ( 8.936 5.073 -5.149) 11.493 6.292 ( 6.095 -7.338 -2.795) 9.940 6.299 ( 3.535 -1.489 0.732) 3.905 6.732 ( -3.399 3.156 9.151) 10.259 6.836 ( -2.369 -3.150 6.287) 7.420 7.051 ( -8.959 0.998 -1.504) 9.139 7.162 ( -5.881 -1.596 -7.631) 9.765 7.817 ( -1.785 -1.543 4.881) 5.421 8.080 ( 7.223 1.184 2.752) 7.819 8.191 ( 1.692 0.037 -10.887) 11.017 8.257 ( 3.536 0.444 -4.999) 6.139 9.186 ( -6.306 0.045 9.693) 11.564 9.356 ( -0.139 0.439 6.397) 6.413 9.492 ( -0.120 5.868 -4.332) 7.295 9.608 ( -0.742 -5.123 -5.262) 7.381 10.569 ( 0.187 0.108 4.747) 4.752 10.660 ( 5.606 1.223 2.857) 6.410 10.742 ( 6.175 1.395 -1.696) 6.554 10.787 ( 5.789 -2.314 -2.249) 6.628 11.337 ( -7.632 -0.954 9.358) 12.113 11.556 ( 0.205 -0.301 8.811) 8.819 11.756 ( -5.535 -0.091 -8.610) 10.236 11.919 ( -1.680 -2.464 -7.381) 7.961 12.518 ( -2.872 4.069 2.623) 5.629 12.567 ( -1.619 5.363 -0.113) 5.603 12.664 ( -1.534 -0.893 -0.385) 1.816 12.727 ( 0.965 -1.345 -3.605) 3.967 12.855 ( -5.578 0.813 8.522) 10.218 13.012 ( -3.971 -2.178 4.755) 6.567 13.147 ( -8.449 -1.263 -2.760) 8.978 13.231 ( -10.369 -1.979 -3.095) 11.000 14.497 ( 2.396 1.351 1.665) 3.215 14.570 ( -2.011 0.800 -1.000) 2.384 14.608 ( -0.729 -0.628 -0.361) 1.028 14.685 ( 0.675 -1.804 -6.030) 6.330 15.090 ( 8.491 8.519 3.007) 12.398 15.215 ( 0.423 3.046 3.892) 4.960 15.399 ( 4.867 -7.486 -1.136) 9.001 15.854 ( 7.022 -15.053 -12.669) 20.890 20.610 ( -0.134 3.456 2.612) 4.334 20.800 ( -1.668 2.108 -0.240) 2.699 20.834 ( -1.242 -1.477 -2.138) 2.880 21.194 ( 4.698 0.203 -13.620) 14.409 22.192 ( -1.962 16.357 9.039) 18.791 22.460 ( -0.665 16.955 -0.615) 16.979 22.607 ( -0.206 -13.005 6.222) 14.418 22.873 ( -1.596 -19.363 -1.929) 19.525 23.676 ( -2.553 0.650 11.977) 12.264 23.847 ( -2.109 2.559 10.765) 11.264 24.080 ( -0.173 5.144 -0.684) 5.192 24.141 ( 1.647 -1.759 -7.395) 7.778 24.227 ( 3.117 0.072 -2.634) 4.082 24.244 ( 2.864 -3.253 1.130) 4.480 24.452 ( -1.485 3.964 -11.760) 12.499 24.588 ( -1.188 -3.172 -15.845) 16.203 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.29 0.40 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -1.765 6.942 12.185) 14.134 1.700 ( 6.420 -0.637 14.268) 15.659 1.758 ( -7.118 -2.614 9.002) 11.770 1.815 ( 0.319 -5.837 9.613) 11.250 2.221 ( -7.953 -3.632 6.060) 10.638 2.259 ( 2.501 0.918 -10.248) 10.588 2.278 ( -16.253 3.869 -10.838) 19.915 2.441 ( -9.779 -3.653 -5.258) 11.688 2.674 ( 4.712 7.649 1.072) 9.048 2.786 ( 5.404 0.949 5.116) 7.502 2.944 ( 6.926 6.066 1.512) 9.331 2.990 ( 0.361 0.020 6.848) 6.857 3.056 ( 3.871 0.373 -8.015) 8.909 3.219 ( 2.930 -5.230 6.617) 8.928 3.279 ( -1.998 -3.964 -2.452) 5.071 3.479 ( 1.290 -4.265 -2.753) 5.238 3.668 ( 1.309 0.181 -1.555) 2.041 3.807 ( -3.531 2.639 -0.867) 4.493 3.852 ( 0.627 0.598 -8.246) 8.292 3.912 ( -3.024 -0.158 -2.122) 3.698 4.017 ( 4.050 2.599 0.374) 4.826 4.081 ( -0.642 -4.256 2.273) 4.868 4.129 ( -4.386 -3.644 -4.247) 7.110 4.235 ( 7.881 6.975 6.301) 12.267 4.335 ( 3.088 -1.321 0.962) 3.494 4.351 ( 5.384 8.424 3.022) 10.444 4.552 ( 4.885 -1.658 1.634) 5.411 4.601 ( -0.588 5.114 -1.100) 5.263 4.674 ( 3.473 1.479 0.635) 3.828 4.724 ( 5.305 -1.552 -1.088) 5.634 4.784 ( 2.935 -2.957 -2.876) 5.062 4.889 ( -2.249 -4.062 -5.956) 7.552 5.092 ( -5.072 2.671 -1.095) 5.836 5.320 ( -8.905 0.131 1.583) 9.045 5.345 ( -7.487 0.641 -5.639) 9.395 5.411 ( -7.215 -3.598 -4.156) 9.071 5.660 ( 2.330 -0.684 5.397) 5.918 5.681 ( -0.096 -0.378 4.455) 4.472 5.787 ( 5.858 -3.753 12.620) 14.411 5.862 ( 4.022 4.386 -2.335) 6.393 5.923 ( 7.433 -2.006 -6.182) 9.874 6.255 ( -4.505 -0.175 5.181) 6.868 6.300 ( 1.647 2.849 2.876) 4.370 6.423 ( 5.520 -2.929 -9.677) 11.519 6.661 ( -3.379 3.437 5.695) 7.461 6.752 ( -6.787 -0.440 2.095) 7.116 6.844 ( -7.584 -0.945 0.519) 7.660 7.028 ( -5.913 0.028 -8.000) 9.948 7.843 ( 4.235 -2.171 6.677) 8.200 8.194 ( 3.896 1.794 2.777) 5.109 8.257 ( 4.061 -0.212 -9.709) 10.526 8.308 ( -0.447 0.312 -1.125) 1.250 9.110 ( 0.488 -0.498 7.183) 7.217 9.337 ( -1.030 1.506 2.901) 3.427 9.461 ( -3.063 4.419 -5.677) 7.819 9.554 ( -4.613 -4.215 -6.239) 8.830 10.611 ( 3.694 -0.614 5.634) 6.764 10.812 ( 7.771 1.292 1.685) 8.056 10.886 ( 7.099 -0.317 -5.676) 9.095 10.928 ( 5.391 -0.941 -4.009) 6.784 11.191 ( -3.721 -1.805 6.423) 7.640 11.504 ( -4.856 2.882 5.140) 7.635 11.620 ( -7.280 -2.901 -8.282) 11.402 11.819 ( -7.900 -0.684 -6.992) 10.572 12.452 ( -2.621 0.033 4.763) 5.436 12.539 ( -2.348 1.432 1.893) 3.339 12.634 ( -0.954 -0.047 -1.706) 1.955 12.656 ( -5.033 -0.781 -1.002) 5.191 12.799 ( 0.219 2.070 2.361) 3.147 12.910 ( -5.089 1.582 0.507) 5.353 12.977 ( -6.934 2.441 -1.566) 7.516 13.042 ( -6.631 -2.940 -2.559) 7.692 14.524 ( -1.854 0.721 -0.434) 2.036 14.565 ( 2.397 1.793 -0.974) 3.148 14.582 ( -1.644 -0.445 1.256) 2.116 14.659 ( -1.658 -3.846 -3.363) 5.371 15.230 ( 6.880 1.674 1.684) 7.279 15.359 ( 9.399 3.663 2.693) 10.441 15.500 ( 4.382 -7.155 -0.936) 8.443 15.941 ( 0.218 -6.867 -12.682) 14.423 20.650 ( 3.736 2.740 0.626) 4.675 20.722 ( -1.426 4.766 -2.238) 5.455 20.861 ( -0.543 -1.741 4.105) 4.491 21.182 ( -5.879 2.904 -10.210) 12.134 22.196 ( 3.045 7.031 10.148) 12.715 22.455 ( -0.240 4.075 4.714) 6.235 22.604 ( 0.404 -2.915 0.462) 2.979 22.824 ( -2.922 -15.664 -1.875) 16.044 23.665 ( 0.920 0.209 11.178) 11.218 23.774 ( -3.702 3.628 10.232) 11.470 24.074 ( 0.054 5.487 -6.309) 8.361 24.168 ( 0.423 -3.246 -9.277) 9.837 24.288 ( 2.434 -0.825 -0.093) 2.572 24.311 ( 3.010 -0.511 -1.412) 3.364 24.441 ( 0.116 2.335 -8.113) 8.443 24.530 ( -3.841 -1.575 -11.770) 12.481 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.43 0.40 0.38) 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 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( 5.887 2.922 1.872) 6.834 1.709 ( 3.112 -1.182 0.188) 3.335 1.818 ( 0.060 -1.837 2.451) 3.064 1.850 ( 1.901 -3.552 8.385) 9.303 1.920 ( -11.928 0.977 -6.739) 13.735 2.027 ( -10.316 -4.429 4.287) 12.017 2.246 ( -1.689 -0.322 -4.554) 4.868 2.278 ( -3.984 -3.669 -5.517) 7.732 2.841 ( 8.791 7.763 1.851) 11.873 2.898 ( 4.577 2.226 1.538) 5.317 3.012 ( -0.581 7.786 0.037) 7.808 3.026 ( -2.228 10.672 4.064) 11.635 3.108 ( 3.809 -1.749 0.882) 4.283 3.204 ( -3.559 -4.917 3.701) 7.110 3.302 ( 5.308 -7.833 1.212) 9.539 3.432 ( -5.277 -3.939 0.579) 6.610 3.698 ( 0.947 -1.982 1.046) 2.433 3.733 ( -2.619 -0.081 0.315) 2.639 3.845 ( 0.561 1.877 -4.201) 4.635 3.871 ( -1.191 0.026 -4.717) 4.865 4.055 ( -0.549 -3.047 -1.588) 3.480 4.072 ( -0.635 -2.458 2.097) 3.292 4.195 ( 9.004 1.065 -6.551) 11.186 4.321 ( -0.953 2.077 -2.458) 3.356 4.404 ( 2.326 4.848 3.794) 6.581 4.465 ( -4.977 7.680 0.542) 9.168 4.538 ( 8.534 8.709 -1.680) 12.309 4.645 ( 3.010 -1.948 0.893) 3.695 4.697 ( -2.404 2.871 1.863) 4.182 4.767 ( -5.598 -2.489 1.834) 6.395 4.868 ( 7.925 -1.110 -3.918) 8.910 4.952 ( 9.374 -7.030 -1.570) 11.822 5.059 ( -2.009 -1.460 -5.503) 6.037 5.130 ( -5.952 -0.343 0.070) 5.962 5.167 ( -7.421 -3.736 -2.517) 8.681 5.251 ( -8.094 -2.212 -1.459) 8.516 5.698 ( 0.866 -0.084 8.246) 8.291 5.699 ( 1.020 -0.377 8.782) 8.849 5.866 ( 6.095 -0.466 4.326) 7.488 6.003 ( -1.999 4.304 1.640) 5.021 6.080 ( 7.199 -1.323 -0.088) 7.320 6.145 ( -0.561 -4.382 3.638) 5.723 6.327 ( 2.216 -0.192 -1.601) 2.740 6.434 ( -5.260 -0.494 -7.416) 9.105 6.568 ( -3.863 1.970 6.815) 8.077 6.591 ( -4.966 0.634 6.465) 8.176 6.828 ( 3.702 1.888 -6.451) 7.674 6.921 ( -4.631 1.081 -8.210) 9.487 7.984 ( 8.728 -1.727 7.832) 11.853 8.173 ( -7.807 -0.533 5.583) 9.613 8.298 ( 2.464 1.674 0.781) 3.079 8.322 ( 1.076 0.492 -4.742) 4.887 9.209 ( 7.578 -0.121 0.425) 7.591 9.338 ( 1.249 0.708 -2.192) 2.620 9.367 ( -5.450 2.790 -4.317) 7.492 9.430 ( -6.225 -2.387 -6.667) 9.428 10.716 ( 6.126 -1.290 5.731) 8.488 10.853 ( -5.888 -1.342 5.187) 7.961 10.996 ( 5.061 1.678 -3.988) 6.658 11.018 ( 4.172 -0.561 -6.130) 7.436 11.274 ( 7.313 -0.720 -3.094) 7.973 11.392 ( -5.039 0.395 2.324) 5.563 11.483 ( -2.517 -0.666 -8.297) 8.696 11.614 ( -10.592 -0.108 -6.981) 12.686 12.425 ( 0.239 -0.871 5.439) 5.514 12.463 ( -3.329 -1.414 4.574) 5.831 12.615 ( 0.055 0.119 -1.226) 1.233 12.624 ( -0.538 0.103 -1.826) 1.906 12.810 ( 1.110 2.125 -1.048) 2.617 12.858 ( -2.002 0.984 -1.897) 2.929 12.866 ( -0.945 2.352 -1.590) 2.992 12.930 ( -4.579 0.154 -2.972) 5.461 14.507 ( 0.451 0.230 1.251) 1.350 14.539 ( -2.182 -0.023 2.187) 3.090 14.602 ( 1.385 0.399 -1.484) 2.069 14.630 ( -1.283 -2.328 -1.771) 3.194 15.377 ( 6.069 -0.456 3.036) 6.801 15.457 ( -0.931 -3.478 5.522) 6.593 15.652 ( 10.546 -0.454 -9.051) 13.905 15.858 ( -7.720 -2.614 -11.247) 13.890 20.713 ( 2.877 2.943 2.194) 4.664 20.778 ( 0.779 4.463 2.205) 5.039 20.826 ( 2.822 0.613 -1.288) 3.162 21.001 ( -9.816 3.470 -5.498) 11.774 22.301 ( 5.970 -0.766 9.501) 11.247 22.413 ( -4.104 -4.367 9.015) 10.826 22.652 ( 4.158 0.158 -3.375) 5.358 22.748 ( -4.374 -7.484 -2.765) 9.099 23.688 ( 1.052 1.418 10.828) 10.971 23.715 ( -1.820 2.695 10.571) 11.060 24.097 ( 2.305 2.653 -9.850) 10.458 24.152 ( -2.105 -0.883 -11.685) 11.906 24.331 ( 1.590 -0.743 -1.036) 2.038 24.347 ( 0.349 -0.306 -1.480) 1.551 24.443 ( 0.113 1.131 -6.011) 6.117 24.462 ( -2.056 -0.321 -7.023) 7.325 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 0.000 0.000 -13.373) 13.373 1.848 ( 0.000 0.000 13.373) 13.373 1.852 ( 0.000 0.000 -12.499) 12.499 1.852 ( 0.000 0.000 12.499) 12.499 2.268 ( 0.000 0.000 -5.655) 5.655 2.268 ( 0.000 0.000 5.655) 5.655 2.353 ( 0.000 0.000 -6.427) 6.427 2.353 ( 0.000 0.000 6.427) 6.427 2.813 ( 0.000 0.000 -5.678) 5.678 2.813 ( 0.000 0.000 5.678) 5.678 3.038 ( 0.000 0.000 -5.100) 5.100 3.038 ( 0.000 0.000 5.100) 5.100 3.334 ( 0.000 0.000 -3.878) 3.878 3.334 ( 0.000 0.000 3.878) 3.878 3.374 ( 0.000 0.000 -19.643) 19.643 3.374 ( 0.000 0.000 19.643) 19.643 3.712 ( 0.000 0.000 -1.797) 1.797 3.712 ( 0.000 0.000 1.797) 1.797 3.880 ( 0.000 0.000 -6.985) 6.985 3.880 ( 0.000 0.000 6.985) 6.985 4.074 ( 0.000 0.000 -3.272) 3.272 4.074 ( 0.000 0.000 3.272) 3.272 4.090 ( 0.000 0.000 -2.633) 2.633 4.090 ( 0.000 0.000 2.633) 2.633 4.108 ( 0.000 0.000 -4.676) 4.676 4.108 ( 0.000 0.000 4.676) 4.676 4.531 ( 0.000 0.000 -2.905) 2.905 4.531 ( 0.000 0.000 2.905) 2.905 4.663 ( 0.000 0.000 -5.311) 5.311 4.663 ( 0.000 0.000 5.311) 5.311 4.677 ( 0.000 0.000 -10.104) 10.104 4.677 ( 0.000 0.000 10.104) 10.104 5.247 ( 0.000 0.000 -3.638) 3.638 5.247 ( 0.000 0.000 3.638) 3.638 5.320 ( 0.000 0.000 -2.012) 2.012 5.320 ( 0.000 0.000 2.012) 2.012 5.500 ( 0.000 0.000 -3.311) 3.311 5.500 ( 0.000 0.000 3.311) 3.311 5.867 ( 0.000 0.000 -4.419) 4.419 5.867 ( 0.000 0.000 4.419) 4.419 6.023 ( 0.000 0.000 -2.291) 2.291 6.023 ( 0.000 0.000 2.291) 2.291 6.377 ( 0.000 0.000 -6.347) 6.347 6.377 ( 0.000 0.000 6.347) 6.347 7.072 ( 0.000 0.000 -3.840) 3.840 7.072 ( 0.000 0.000 3.840) 3.840 7.073 ( 0.000 0.000 -14.082) 14.082 7.073 ( 0.000 0.000 14.082) 14.082 7.969 ( 0.000 0.000 -5.548) 5.548 7.969 ( 0.000 0.000 5.548) 5.548 8.084 ( 0.000 0.000 -6.754) 6.754 8.084 ( 0.000 0.000 6.754) 6.754 9.298 ( 0.000 0.000 -0.131) 0.131 9.298 ( 0.000 0.000 0.131) 0.131 9.585 ( 0.000 0.000 -8.218) 8.218 9.585 ( 0.000 0.000 8.218) 8.218 10.592 ( 0.000 0.000 -0.960) 0.960 10.592 ( 0.000 0.000 0.960) 0.960 10.711 ( 0.000 0.000 -5.634) 5.634 10.711 ( 0.000 0.000 5.634) 5.634 11.618 ( 0.000 0.000 -8.483) 8.483 11.618 ( 0.000 0.000 8.483) 8.483 11.878 ( 0.000 0.000 -10.505) 10.505 11.878 ( 0.000 0.000 10.505) 10.505 12.292 ( 0.000 0.000 -2.770) 2.770 12.292 ( 0.000 0.000 2.770) 2.770 12.709 ( 0.000 0.000 -0.229) 0.229 12.709 ( 0.000 0.000 0.229) 0.229 13.061 ( 0.000 0.000 -10.452) 10.452 13.061 ( 0.000 0.000 10.452) 10.452 13.458 ( 0.000 0.000 -10.657) 10.657 13.458 ( 0.000 0.000 10.657) 10.657 14.512 ( 0.000 0.000 -4.381) 4.381 14.512 ( 0.000 0.000 4.381) 4.381 14.583 ( 0.000 0.000 -8.484) 8.484 14.583 ( 0.000 0.000 8.484) 8.484 14.821 ( 0.000 0.000 -7.938) 7.938 14.821 ( 0.000 0.000 7.938) 7.938 16.073 ( 0.000 0.000 -20.995) 20.995 16.073 ( 0.000 0.000 20.995) 20.995 20.561 ( 0.000 0.000 -2.831) 2.831 20.561 ( 0.000 0.000 2.831) 2.831 20.994 ( 0.000 0.000 -5.704) 5.704 20.994 ( 0.000 0.000 5.704) 5.704 21.835 ( 0.000 0.000 -6.841) 6.841 21.835 ( 0.000 0.000 6.841) 6.841 23.276 ( 0.000 0.000 -10.940) 10.940 23.276 ( 0.000 0.000 10.940) 10.940 23.749 ( 0.000 0.000 -14.757) 14.757 23.749 ( 0.000 0.000 14.757) 14.757 24.077 ( 0.000 0.000 -6.203) 6.203 24.077 ( 0.000 0.000 6.203) 6.203 24.293 ( 0.000 0.000 -18.468) 18.468 24.293 ( 0.000 0.000 18.468) 18.468 24.327 ( 0.000 0.000 -0.449) 0.449 24.327 ( 0.000 0.000 0.449) 0.449 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( -2.533 0.000 -8.646) 9.009 1.825 ( -2.533 0.000 8.646) 9.009 1.927 ( 6.421 0.000 -6.288) 8.987 1.927 ( 6.421 0.000 6.288) 8.987 2.181 ( -4.467 0.000 -7.071) 8.364 2.181 ( -4.467 0.000 7.071) 8.364 2.434 ( 1.272 0.000 -6.057) 6.189 2.434 ( 1.272 0.000 6.057) 6.189 2.645 ( -7.030 0.000 -0.740) 7.069 2.645 ( -7.030 0.000 0.740) 7.069 3.003 ( -8.893 0.000 -5.514) 10.463 3.003 ( -8.893 0.000 5.514) 10.463 3.341 ( 6.072 0.000 -7.932) 9.989 3.341 ( 6.072 0.000 7.932) 9.989 3.433 ( 0.155 0.000 -6.263) 6.265 3.433 ( 0.155 0.000 6.263) 6.265 3.675 ( -2.636 0.000 -0.001) 2.636 3.675 ( -2.636 0.000 0.001) 2.636 3.891 ( -3.686 0.000 -1.404) 3.945 3.891 ( -3.686 0.000 1.404) 3.945 3.944 ( 2.454 0.000 -5.286) 5.828 3.944 ( 2.454 0.000 5.286) 5.828 4.055 ( -0.323 0.000 -5.304) 5.314 4.055 ( -0.323 0.000 5.304) 5.314 4.385 ( 9.331 0.000 -3.772) 10.065 4.385 ( 9.331 0.000 3.772) 10.065 4.472 ( -1.053 0.000 -2.657) 2.858 4.472 ( -1.053 0.000 2.657) 2.858 4.614 ( -1.105 0.000 -0.851) 1.395 4.614 ( -1.105 0.000 0.851) 1.395 4.740 ( 2.250 0.000 -8.530) 8.821 4.740 ( 2.250 0.000 8.530) 8.821 5.216 ( -1.830 0.000 -6.240) 6.503 5.216 ( -1.830 0.000 6.240) 6.503 5.363 ( 3.825 0.000 -1.848) 4.248 5.363 ( 3.825 0.000 1.848) 4.248 5.629 ( 7.573 0.000 -3.315) 8.267 5.629 ( 7.573 0.000 3.315) 8.267 5.844 ( -0.243 0.000 -5.739) 5.744 5.844 ( -0.243 0.000 5.739) 5.744 6.004 ( -0.651 0.000 -2.791) 2.866 6.004 ( -0.651 0.000 2.791) 2.866 6.371 ( -0.736 0.000 -6.332) 6.375 6.371 ( -0.736 0.000 6.332) 6.375 6.980 ( -6.912 0.000 -8.844) 11.225 6.980 ( -6.912 0.000 8.844) 11.225 7.020 ( -6.156 0.000 -1.289) 6.289 7.020 ( -6.156 0.000 1.289) 6.289 8.028 ( 5.147 0.000 -6.333) 8.161 8.028 ( 5.147 0.000 6.333) 8.161 8.097 ( 1.343 0.000 -6.590) 6.726 8.097 ( 1.343 0.000 6.591) 6.726 9.266 ( -2.720 0.000 -0.266) 2.733 9.266 ( -2.720 0.000 0.266) 2.733 9.561 ( -2.364 0.000 -8.153) 8.489 9.561 ( -2.364 0.000 8.153) 8.489 10.636 ( 3.866 0.000 -0.798) 3.947 10.636 ( 3.866 0.000 0.798) 3.947 10.763 ( 4.736 0.000 -4.155) 6.301 10.763 ( 4.736 0.000 4.155) 6.301 11.551 ( -5.882 0.000 -5.416) 7.996 11.551 ( -5.882 0.000 5.416) 7.996 11.835 ( -3.905 0.000 -7.186) 8.178 11.835 ( -3.905 0.000 7.186) 8.178 12.344 ( 4.482 0.000 -2.725) 5.246 12.344 ( 4.482 0.000 2.725) 5.246 12.680 ( -2.494 0.000 -0.485) 2.541 12.680 ( -2.494 0.000 0.485) 2.541 13.049 ( -1.659 0.000 -7.180) 7.369 13.049 ( -1.659 0.000 7.180) 7.369 13.210 ( -18.761 0.000 -3.276) 19.045 13.210 ( -18.761 0.000 3.276) 19.045 14.496 ( -0.890 0.000 -2.312) 2.477 14.496 ( -0.890 0.000 2.312) 2.477 14.679 ( 3.471 0.000 -3.960) 5.266 14.679 ( 3.471 0.000 3.960) 5.266 14.913 ( 10.506 0.000 -4.711) 11.514 14.913 ( 10.506 0.000 4.711) 11.514 16.051 ( -2.387 0.000 -18.835) 18.985 16.051 ( -2.387 0.000 18.835) 18.985 20.532 ( -1.625 0.000 -2.096) 2.652 20.532 ( -1.625 0.000 2.096) 2.652 21.002 ( -0.808 0.000 -3.154) 3.256 21.002 ( -0.808 0.000 3.154) 3.256 21.923 ( 8.634 0.000 -6.606) 10.871 21.923 ( 8.634 0.000 6.606) 10.871 23.311 ( 2.103 0.000 -13.877) 14.035 23.311 ( 2.103 0.000 13.877) 14.035 23.626 ( -8.107 0.000 -8.964) 12.086 23.626 ( -8.107 0.000 8.964) 12.086 24.162 ( 3.230 0.000 -0.563) 3.279 24.162 ( 3.230 0.000 0.563) 3.279 24.205 ( -2.968 0.000 -8.850) 9.335 24.205 ( -2.968 0.000 8.850) 9.335 24.374 ( 1.550 0.000 -6.129) 6.322 24.374 ( 1.550 0.000 6.129) 6.322 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( -6.118 0.000 -10.037) 11.755 1.722 ( -6.118 0.000 10.037) 11.755 2.062 ( -4.129 0.000 -4.141) 5.847 2.062 ( -4.129 0.000 4.141) 5.847 2.107 ( 5.388 0.000 -0.605) 5.422 2.107 ( 5.388 0.000 0.605) 5.422 2.405 ( -0.796 0.000 -1.709) 1.885 2.405 ( -0.796 0.000 1.709) 1.885 2.548 ( -4.176 0.000 -1.143) 4.330 2.548 ( -4.176 0.000 1.143) 4.330 2.864 ( -3.063 0.000 -5.720) 6.488 2.864 ( -3.063 0.000 5.720) 6.488 3.303 ( -5.288 0.000 -11.853) 12.979 3.303 ( -5.288 0.000 11.853) 12.979 3.532 ( 2.103 0.000 -1.277) 2.461 3.532 ( 2.103 0.000 1.277) 2.461 3.620 ( 1.393 0.000 -1.993) 2.432 3.620 ( 1.393 0.000 1.993) 2.432 3.913 ( 5.663 0.000 -1.068) 5.763 3.913 ( 5.663 0.000 1.068) 5.763 3.960 ( 1.028 0.000 -1.193) 1.575 3.960 ( 1.028 0.000 1.193) 1.575 4.121 ( 3.134 0.000 -3.406) 4.628 4.121 ( 3.134 0.000 3.406) 4.628 4.295 ( -6.863 0.000 -0.672) 6.896 4.295 ( -6.863 0.000 0.672) 6.896 4.585 ( -3.164 0.000 -5.974) 6.760 4.585 ( -3.164 0.000 5.974) 6.760 4.647 ( 3.645 0.000 -1.129) 3.815 4.647 ( 3.645 0.000 1.129) 3.815 4.821 ( 10.774 0.000 -1.284) 10.850 4.821 ( 10.774 0.000 1.284) 10.850 5.176 ( -3.612 0.000 -7.993) 8.771 5.176 ( -3.612 0.000 7.993) 8.771 5.436 ( 1.617 0.000 -1.819) 2.434 5.436 ( 1.617 0.000 1.819) 2.434 5.678 ( 0.910 0.000 -1.823) 2.037 5.678 ( 0.910 0.000 1.823) 2.037 5.885 ( 0.371 0.000 -2.049) 2.083 5.885 ( 0.371 0.000 2.049) 2.083 6.099 ( 10.507 0.000 -1.831) 10.666 6.099 ( 10.507 0.000 1.831) 10.666 6.350 ( -0.590 0.000 -7.703) 7.726 6.350 ( -0.590 0.000 7.703) 7.726 6.805 ( -9.934 0.000 -10.946) 14.782 6.805 ( -9.934 0.000 10.946) 14.782 6.839 ( -9.762 0.000 -1.673) 9.905 6.839 ( -9.762 0.000 1.673) 9.905 8.125 ( 3.252 0.000 -1.600) 3.625 8.125 ( 3.252 0.000 1.600) 3.625 8.172 ( 5.596 0.000 -0.394) 5.610 8.172 ( 5.596 0.000 0.394) 5.610 9.209 ( -1.878 0.000 -0.305) 1.903 9.209 ( -1.878 0.000 0.305) 1.903 9.482 ( -5.209 0.000 -7.043) 8.760 9.482 ( -5.209 0.000 7.043) 8.760 10.739 ( 5.666 0.000 -3.073) 6.446 10.739 ( 5.666 0.000 3.073) 6.446 10.888 ( 6.297 0.000 -2.115) 6.643 10.888 ( 6.297 0.000 2.115) 6.643 11.406 ( -6.837 0.000 -0.801) 6.884 11.406 ( -6.837 0.000 0.801) 6.884 11.709 ( -8.310 0.000 -3.743) 9.114 11.709 ( -8.310 0.000 3.743) 9.114 12.463 ( 6.635 0.000 -1.535) 6.811 12.463 ( 6.635 0.000 1.535) 6.811 12.623 ( -2.564 0.000 -0.595) 2.632 12.623 ( -2.564 0.000 0.595) 2.632 12.833 ( -13.939 0.000 -0.739) 13.959 12.833 ( -13.939 0.000 0.739) 13.959 12.986 ( -5.405 0.000 -4.925) 7.312 12.986 ( -5.405 0.000 4.925) 7.312 14.494 ( 0.984 0.000 -0.838) 1.292 14.494 ( 0.984 0.000 0.838) 1.292 14.682 ( -2.002 0.000 -4.460) 4.889 14.682 ( -2.002 0.000 4.460) 4.889 15.203 ( 15.006 0.000 -2.522) 15.216 15.203 ( 15.006 0.000 2.522) 15.216 15.957 ( -6.768 0.000 -14.052) 15.597 15.957 ( -6.768 0.000 14.052) 15.597 20.531 ( 1.948 0.000 -2.188) 2.929 20.531 ( 1.948 0.000 2.188) 2.929 20.923 ( -6.406 0.000 -0.529) 6.428 20.923 ( -6.406 0.000 0.529) 6.428 22.185 ( 15.562 0.000 -6.700) 16.943 22.185 ( 15.562 0.000 6.700) 16.943 23.222 ( -11.869 0.000 -15.415) 19.455 23.222 ( -11.869 0.000 15.415) 19.455 23.585 ( 5.204 0.000 -6.760) 8.531 23.585 ( 5.204 0.000 6.760) 8.531 24.061 ( -6.584 0.000 -12.401) 14.040 24.061 ( -6.584 0.000 12.401) 14.040 24.283 ( 3.794 0.000 -0.672) 3.853 24.283 ( 3.794 0.000 0.672) 3.853 24.388 ( 0.033 0.000 -3.613) 3.613 24.388 ( 0.033 0.000 3.613) 3.613 ======================= Grid point 146 (52/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 2.791 0.000 -5.115) 5.827 1.667 ( 2.791 0.000 5.115) 5.827 1.842 ( -12.203 0.000 -1.124) 12.255 1.842 ( -12.203 0.000 1.124) 12.255 2.259 ( 6.319 0.000 -4.512) 7.764 2.259 ( 6.319 0.000 4.512) 7.764 2.363 ( -3.596 0.000 -5.669) 6.713 2.363 ( -3.596 0.000 5.669) 6.713 2.595 ( 7.616 0.000 -2.722) 8.088 2.595 ( 7.616 0.000 2.722) 8.088 2.767 ( -7.255 0.000 -0.817) 7.301 2.767 ( -7.255 0.000 0.817) 7.301 3.271 ( 3.020 0.000 -8.375) 8.903 3.271 ( 3.020 0.000 8.375) 8.903 3.401 ( -8.147 0.000 -2.926) 8.656 3.401 ( -8.147 0.000 2.926) 8.656 3.831 ( 12.589 0.000 -4.600) 13.403 3.831 ( 12.589 0.000 4.600) 13.403 4.002 ( 2.043 0.000 -0.469) 2.096 4.002 ( 2.043 0.000 0.469) 2.096 4.025 ( 0.446 0.000 -3.859) 3.885 4.025 ( 0.446 0.000 3.859) 3.885 4.099 ( -4.545 0.000 -1.496) 4.785 4.099 ( -4.545 0.000 1.497) 4.785 4.221 ( 2.948 0.000 -1.408) 3.267 4.221 ( 2.948 0.000 1.408) 3.267 4.396 ( -10.974 0.000 -5.391) 12.227 4.396 ( -10.974 0.000 5.391) 12.226 4.793 ( 9.689 0.000 -3.748) 10.389 4.793 ( 9.689 0.000 3.748) 10.389 5.005 ( -7.789 0.000 -5.626) 9.609 5.005 ( -7.789 0.000 5.626) 9.609 5.122 ( 11.496 0.000 -3.832) 12.117 5.122 ( 11.496 0.000 3.832) 12.117 5.361 ( -8.677 0.000 -0.652) 8.701 5.361 ( -8.677 0.000 0.652) 8.701 5.769 ( 5.986 0.000 -3.974) 7.185 5.769 ( 5.986 0.000 3.974) 7.185 5.861 ( -2.552 0.000 -4.441) 5.122 5.861 ( -2.552 0.000 4.441) 5.122 6.310 ( 7.940 0.000 -0.330) 7.947 6.310 ( 7.940 0.000 0.330) 7.947 6.395 ( 3.895 0.000 -9.414) 10.188 6.395 ( 3.895 0.000 9.414) 10.188 6.585 ( -7.604 0.000 -3.307) 8.292 6.585 ( -7.604 0.000 3.307) 8.292 6.653 ( -8.334 0.000 -6.810) 10.763 6.653 ( -8.334 0.000 6.810) 10.763 8.199 ( 3.590 0.000 -1.164) 3.774 8.199 ( 3.590 0.000 1.164) 3.774 8.243 ( 0.328 0.000 -2.250) 2.274 8.243 ( 0.328 0.000 2.250) 2.274 9.225 ( 3.848 0.000 -1.533) 4.142 9.225 ( 3.848 0.000 1.533) 4.142 9.349 ( -6.980 0.000 -4.549) 8.332 9.349 ( -6.980 0.000 4.549) 8.332 10.866 ( 6.161 0.000 -2.994) 6.850 10.866 ( 6.161 0.000 2.994) 6.850 10.961 ( -1.135 0.000 -1.631) 1.987 10.961 ( -1.135 0.000 1.631) 1.987 11.343 ( 2.865 0.000 -2.342) 3.700 11.343 ( 2.865 0.000 2.342) 3.700 11.503 ( -10.325 0.000 -2.977) 10.746 11.503 ( -10.325 0.000 2.977) 10.746 12.579 ( 0.649 0.000 -1.780) 1.894 12.579 ( 0.649 0.000 1.780) 1.894 12.594 ( 0.181 0.000 -1.831) 1.840 12.594 ( 0.181 0.000 1.831) 1.840 12.680 ( 2.630 0.000 -0.889) 2.776 12.680 ( 2.630 0.000 0.889) 2.776 12.837 ( -8.410 0.000 -1.707) 8.581 12.837 ( -8.410 0.000 1.707) 8.581 14.541 ( 3.322 0.000 -3.202) 4.614 14.541 ( 3.322 0.000 3.202) 4.614 14.619 ( -3.730 0.000 -4.312) 5.701 14.619 ( -3.730 0.000 4.312) 5.701 15.507 ( 13.732 0.000 -6.058) 15.009 15.507 ( 13.732 0.000 6.058) 15.009 15.769 ( -11.009 0.000 -9.412) 14.484 15.769 ( -11.009 0.000 9.412) 14.484 20.615 ( 5.874 0.000 -2.863) 6.535 20.615 ( 5.874 0.000 2.863) 6.535 20.765 ( -7.950 0.000 -2.592) 8.362 20.765 ( -7.950 0.000 2.592) 8.362 22.541 ( 17.730 0.000 -8.212) 19.539 22.541 ( 17.730 0.000 8.212) 19.539 22.908 ( -16.858 0.000 -11.070) 20.168 22.908 ( -16.858 0.000 11.070) 20.168 23.741 ( 8.319 0.000 -10.554) 13.439 23.741 ( 8.319 0.000 10.554) 13.439 23.911 ( -7.724 0.000 -12.355) 14.571 23.911 ( -7.724 0.000 12.355) 14.571 24.343 ( 2.188 0.000 -0.180) 2.196 24.343 ( 2.188 0.000 0.180) 2.196 24.378 ( -1.070 0.000 -1.144) 1.566 24.378 ( -1.070 0.000 1.144) 1.566 ======================= Grid point 154 (53/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( 0.000 1.637 -12.205) 12.314 1.872 ( 0.000 1.637 12.205) 12.314 1.882 ( 0.000 2.488 -13.181) 13.413 1.882 ( 0.000 2.488 13.181) 13.413 2.304 ( 0.000 4.196 -8.055) 9.082 2.304 ( 0.000 4.196 8.055) 9.082 2.405 ( 0.000 5.434 -4.713) 7.193 2.405 ( 0.000 5.434 4.713) 7.193 2.836 ( 0.000 1.856 -7.398) 7.627 2.836 ( 0.000 1.856 7.398) 7.627 2.990 ( 0.000 -4.600 -5.927) 7.502 2.990 ( 0.000 -4.600 5.927) 7.502 3.208 ( 0.000 -10.412 -2.783) 10.778 3.208 ( 0.000 -10.412 2.783) 10.778 3.345 ( 0.000 -3.748 -15.167) 15.624 3.345 ( 0.000 -3.748 15.167) 15.624 3.684 ( 0.000 -1.502 -2.406) 2.837 3.684 ( 0.000 -1.502 2.406) 2.837 3.918 ( 0.000 1.695 -10.653) 10.787 3.918 ( 0.000 1.695 10.653) 10.787 3.971 ( 0.000 -3.814 -5.263) 6.500 3.971 ( 0.000 -3.814 5.263) 6.500 4.176 ( 0.000 5.708 -5.376) 7.841 4.176 ( 0.000 5.708 5.376) 7.841 4.204 ( 0.000 6.497 -7.765) 10.124 4.204 ( 0.000 6.497 7.765) 10.124 4.467 ( 0.000 -5.978 -3.113) 6.740 4.467 ( 0.000 -5.978 3.113) 6.740 4.668 ( 0.000 -1.073 -9.686) 9.745 4.668 ( 0.000 -1.073 9.686) 9.745 4.697 ( 0.000 1.996 -4.982) 5.367 4.697 ( 0.000 1.996 4.982) 5.367 5.271 ( 0.000 5.295 -9.990) 11.306 5.271 ( 0.000 5.295 9.990) 11.306 5.432 ( 0.000 8.414 -2.090) 8.670 5.432 ( 0.000 8.414 2.090) 8.670 5.518 ( 0.000 1.730 -2.540) 3.073 5.518 ( 0.000 1.730 2.540) 3.073 5.849 ( 0.000 -2.351 -3.510) 4.225 5.849 ( 0.000 -2.351 3.510) 4.225 6.021 ( 0.000 0.058 -1.360) 1.362 6.021 ( 0.000 0.058 1.360) 1.362 6.304 ( 0.000 -7.058 -3.961) 8.094 6.304 ( 0.000 -7.058 3.961) 8.094 7.055 ( 0.000 -1.577 -13.846) 13.936 7.055 ( 0.000 -1.577 13.846) 13.936 7.057 ( 0.000 -1.326 -4.732) 4.914 7.057 ( 0.000 -1.326 4.732) 4.914 7.981 ( 0.000 1.266 -6.037) 6.169 7.981 ( 0.000 1.266 6.037) 6.169 8.076 ( 0.000 -0.893 -7.094) 7.150 8.076 ( 0.000 -0.893 7.094) 7.150 9.331 ( 0.000 3.291 -2.235) 3.978 9.331 ( 0.000 3.291 2.235) 3.978 9.561 ( 0.000 -2.400 -7.795) 8.157 9.561 ( 0.000 -2.400 7.795) 8.157 10.604 ( 0.000 1.257 -1.305) 1.812 10.604 ( 0.000 1.257 1.305) 1.812 10.705 ( 0.000 -0.667 -4.900) 4.945 10.705 ( 0.000 -0.667 4.900) 4.945 11.619 ( 0.000 0.498 -8.660) 8.674 11.619 ( 0.000 0.498 8.660) 8.674 11.831 ( 0.000 -4.487 -10.364) 11.294 11.831 ( 0.000 -4.487 10.364) 11.294 12.382 ( 0.000 8.559 -2.922) 9.044 12.382 ( 0.000 8.559 2.922) 9.044 12.714 ( 0.000 0.113 -1.679) 1.683 12.714 ( 0.000 0.113 1.679) 1.683 13.067 ( 0.000 0.812 -10.165) 10.198 13.067 ( 0.000 0.812 10.165) 10.198 13.388 ( 0.000 -6.900 -9.367) 11.634 13.388 ( 0.000 -6.900 9.367) 11.634 14.530 ( 0.000 1.710 -3.287) 3.705 14.530 ( 0.000 1.710 3.287) 3.705 14.595 ( 0.000 0.675 -5.578) 5.619 14.595 ( 0.000 0.675 5.578) 5.619 14.887 ( 0.000 7.401 -7.084) 10.245 14.887 ( 0.000 7.401 7.084) 10.245 15.890 ( 0.000 -17.492 -17.486) 24.733 15.890 ( 0.000 -17.492 17.486) 24.733 20.624 ( 0.000 5.798 -4.979) 7.642 20.624 ( 0.000 5.798 4.979) 7.642 20.962 ( 0.000 -3.227 -6.451) 7.214 20.962 ( 0.000 -3.227 6.451) 7.214 21.991 ( 0.000 15.428 -5.976) 16.545 21.991 ( 0.000 15.428 5.976) 16.545 23.125 ( 0.000 -14.019 -8.101) 16.191 23.125 ( 0.000 -14.019 8.101) 16.191 23.829 ( 0.000 6.619 -10.400) 12.328 23.829 ( 0.000 6.619 10.400) 12.328 24.076 ( 0.000 -0.310 -7.233) 7.240 24.076 ( 0.000 -0.310 7.233) 7.240 24.286 ( 0.000 -0.616 -16.808) 16.820 24.286 ( 0.000 -0.616 16.808) 16.820 24.307 ( 0.000 -1.828 -1.908) 2.643 24.307 ( 0.000 -1.828 1.908) 2.643 ======================= Grid point 156 (54/60) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( -1.762 2.114 -9.064) 9.473 1.849 ( -1.762 2.114 9.064) 9.473 1.938 ( 4.197 0.432 -8.611) 9.589 1.938 ( 4.197 0.432 8.611) 9.589 2.220 ( -6.115 4.390 -9.292) 11.959 2.220 ( -6.115 4.390 9.292) 11.959 2.466 ( 0.695 3.183 -4.064) 5.209 2.466 ( 0.695 3.183 4.064) 5.209 2.675 ( -5.392 3.009 -0.858) 6.234 2.675 ( -5.392 3.009 0.858) 6.234 2.934 ( -8.901 -6.381 -7.766) 13.426 2.934 ( -8.901 -6.381 7.766) 13.426 3.274 ( 7.522 -6.583 -3.531) 10.601 3.274 ( 7.522 -6.583 3.531) 10.601 3.383 ( 0.230 -3.841 -9.650) 10.388 3.383 ( 0.230 -3.841 9.650) 10.388 3.659 ( -0.904 -1.358 -1.678) 2.340 3.659 ( -0.904 -1.358 1.678) 2.340 3.890 ( -2.973 -1.284 -5.239) 6.158 3.890 ( -2.973 -1.284 5.239) 6.158 3.992 ( 3.501 5.689 -5.974) 8.961 3.992 ( 3.501 5.689 5.974) 8.961 4.135 ( -0.278 6.540 -2.480) 7.000 4.135 ( -0.278 6.540 2.480) 7.000 4.362 ( -0.740 -2.905 -4.256) 5.206 4.362 ( -0.740 -2.905 4.256) 5.206 4.431 ( 7.085 -2.162 -1.552) 7.569 4.431 ( 7.085 -2.162 1.552) 7.569 4.636 ( -0.466 0.782 -2.765) 2.911 4.636 ( -0.466 0.782 2.765) 2.911 4.757 ( 2.359 1.149 -6.694) 7.190 4.757 ( 2.359 1.149 6.694) 7.190 5.242 ( -2.548 3.097 -8.571) 9.463 5.242 ( -2.548 3.097 8.571) 9.463 5.413 ( 0.112 4.939 -0.872) 5.017 5.413 ( 0.112 4.939 0.872) 5.017 5.644 ( 6.906 1.176 -1.898) 7.258 5.644 ( 6.906 1.176 1.898) 7.258 5.830 ( -1.113 -1.480 -4.409) 4.783 5.830 ( -1.113 -1.480 4.409) 4.783 5.998 ( 0.785 -1.340 -4.608) 4.863 5.998 ( 0.785 -1.340 4.608) 4.863 6.332 ( 1.267 -3.099 -3.768) 5.041 6.332 ( 1.267 -3.099 3.768) 5.041 6.972 ( -6.554 -0.807 -11.534) 13.291 6.972 ( -6.554 -0.807 11.534) 13.291 7.004 ( -5.757 -1.522 -4.462) 7.441 7.004 ( -5.757 -1.522 4.462) 7.441 7.999 ( 2.125 -1.950 -8.078) 8.577 7.999 ( 2.125 -1.950 8.078) 8.577 8.127 ( 4.128 2.066 -5.291) 7.022 8.127 ( 4.128 2.066 5.291) 7.022 9.297 ( -2.895 3.060 -3.388) 5.406 9.297 ( -2.895 3.060 3.388) 5.406 9.541 ( -2.085 -2.051 -7.653) 8.192 9.541 ( -2.085 -2.051 7.653) 8.192 10.644 ( 3.523 0.807 -1.467) 3.901 10.644 ( 3.523 0.807 1.467) 3.901 10.755 ( 4.582 -0.811 -3.406) 5.766 10.755 ( 4.582 -0.811 3.406) 5.766 11.546 ( -6.292 -0.323 -7.196) 9.564 11.546 ( -6.292 -0.323 7.196) 9.564 11.806 ( -2.816 -2.792 -7.757) 8.712 11.806 ( -2.816 -2.792 7.757) 8.712 12.414 ( 2.914 6.717 -2.385) 7.701 12.414 ( 2.914 6.717 2.385) 7.701 12.683 ( -2.622 0.101 -1.837) 3.203 12.683 ( -2.622 0.101 1.837) 3.203 13.042 ( -3.054 -0.583 -7.171) 7.816 13.042 ( -3.054 -0.583 7.171) 7.816 13.186 ( -15.194 -2.423 -4.029) 15.905 13.186 ( -15.194 -2.423 4.029) 15.905 14.509 ( -0.910 1.345 -2.258) 2.781 14.509 ( -0.910 1.345 2.258) 2.781 14.651 ( 2.328 -2.408 -2.670) 4.283 14.651 ( 2.328 -2.408 2.670) 4.283 14.985 ( 9.191 7.051 -4.054) 12.272 14.985 ( 9.191 7.051 4.054) 12.272 15.895 ( -0.065 -14.781 -16.054) 21.822 15.895 ( -0.065 -14.781 16.054) 21.822 20.590 ( -1.852 5.277 -3.232) 6.460 20.590 ( -1.852 5.277 3.232) 6.460 20.994 ( 1.081 -1.132 -6.074) 6.272 20.994 ( 1.081 -1.132 6.074) 6.272 22.045 ( 5.552 12.433 -6.439) 15.063 22.045 ( 5.552 12.433 6.439) 15.063 23.120 ( -1.229 -15.934 -9.167) 18.424 23.120 ( -1.229 -15.934 9.167) 18.424 23.749 ( -4.490 8.801 -4.769) 10.971 23.749 ( -4.490 8.801 4.769) 10.971 24.135 ( 0.016 -2.442 -5.555) 6.069 24.135 ( 0.016 -2.442 5.555) 6.069 24.222 ( 0.276 1.216 -8.184) 8.279 24.222 ( 0.276 1.216 8.184) 8.279 24.360 ( 1.708 -1.319 -6.834) 7.166 24.360 ( 1.708 -1.319 6.834) 7.166 ======================= Grid point 158 (55/60) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -6.333 3.751 -9.047) 11.663 1.760 ( -6.333 3.751 9.047) 11.663 2.035 ( -2.018 -2.778 -6.378) 7.244 2.035 ( -2.018 -2.778 6.378) 7.244 2.077 ( -0.588 -2.202 -6.145) 6.554 2.077 ( -0.588 -2.202 6.145) 6.554 2.382 ( -7.217 -2.309 -3.906) 8.525 2.382 ( -7.217 -2.309 3.906) 8.525 2.645 ( 1.650 8.273 -8.934) 12.288 2.645 ( 1.650 8.273 8.934) 12.288 2.854 ( 1.350 0.461 -7.132) 7.273 2.854 ( 1.350 0.461 7.132) 7.273 3.270 ( -4.570 -3.871 -11.381) 12.861 3.270 ( -4.570 -3.871 11.381) 12.861 3.470 ( 4.561 -4.654 -2.855) 7.114 3.470 ( 4.561 -4.654 2.855) 7.114 3.660 ( 1.475 3.045 -3.855) 5.129 3.660 ( 1.475 3.045 3.855) 5.129 3.859 ( -0.254 -3.411 -3.767) 5.088 3.859 ( -0.254 -3.411 3.767) 5.088 4.046 ( 3.056 4.029 -2.674) 5.720 4.046 ( 3.056 4.029 2.674) 5.720 4.172 ( 1.633 5.845 -1.169) 6.181 4.172 ( 1.633 5.845 1.169) 6.181 4.267 ( -3.176 -1.409 -6.254) 7.155 4.267 ( -3.176 -1.409 6.254) 7.155 4.589 ( -0.573 0.873 -5.257) 5.360 4.589 ( -0.573 0.873 5.257) 5.360 4.666 ( 2.987 0.742 -2.130) 3.743 4.666 ( 2.987 0.742 2.130) 3.743 4.821 ( 8.435 -0.220 -3.325) 9.069 4.821 ( 8.435 -0.220 3.325) 9.069 5.167 ( -5.403 -0.740 -7.717) 9.449 5.167 ( -5.403 -0.740 7.717) 9.449 5.408 ( -1.716 -2.270 -1.551) 3.241 5.408 ( -1.716 -2.270 1.551) 3.241 5.712 ( 2.223 2.827 -1.076) 3.754 5.712 ( 2.223 2.827 1.076) 3.754 5.845 ( 1.929 -3.023 -4.519) 5.769 5.845 ( 1.929 -3.023 4.519) 5.769 6.128 ( 9.750 1.081 -8.121) 12.735 6.128 ( 9.750 1.081 8.121) 12.735 6.326 ( -1.542 -1.089 -4.540) 4.917 6.326 ( -1.542 -1.089 4.540) 4.917 6.801 ( -9.459 -0.196 -8.717) 12.864 6.801 ( -9.459 -0.196 8.717) 12.864 6.848 ( -7.822 0.523 -0.868) 7.887 6.848 ( -7.822 0.523 0.868) 7.887 8.074 ( 4.840 -3.080 -8.792) 10.498 8.074 ( 4.840 -3.080 8.792) 10.498 8.220 ( 3.992 2.877 -4.040) 6.367 8.220 ( 3.992 2.877 4.040) 6.367 9.235 ( -2.237 2.555 -4.176) 5.382 9.235 ( -2.237 2.555 4.176) 5.382 9.469 ( -4.856 -1.405 -6.457) 8.201 9.469 ( -4.856 -1.405 6.457) 8.201 10.738 ( 5.260 -0.070 -4.365) 6.835 10.738 ( 5.260 -0.070 4.365) 6.835 10.880 ( 6.436 -0.749 -1.652) 6.687 10.880 ( 6.436 -0.749 1.652) 6.687 11.394 ( -7.036 -1.003 -6.378) 9.550 11.394 ( -7.036 -1.003 6.378) 9.550 11.696 ( -7.819 -1.228 -5.266) 9.506 11.696 ( -7.819 -1.228 5.266) 9.506 12.494 ( 4.340 2.790 -1.064) 5.268 12.494 ( 4.340 2.790 1.064) 5.268 12.622 ( -2.752 -0.243 -1.543) 3.164 12.622 ( -2.752 -0.243 1.543) 3.164 12.842 ( -11.427 1.434 -2.801) 11.853 12.842 ( -11.427 1.434 2.801) 11.853 12.990 ( -5.652 -0.007 -4.506) 7.229 12.990 ( -5.652 -0.007 4.506) 7.229 14.506 ( 0.778 1.258 -0.871) 1.716 14.506 ( 0.778 1.258 0.871) 1.716 14.659 ( -1.291 -2.333 -3.497) 4.398 14.659 ( -1.291 -2.333 3.497) 4.398 15.228 ( 12.816 2.662 -2.857) 13.397 15.228 ( 12.816 2.662 2.857) 13.397 15.857 ( -4.123 -9.425 -12.863) 16.470 15.857 ( -4.123 -9.425 12.863) 16.470 20.586 ( 1.824 4.975 -0.823) 5.363 20.586 ( 1.824 4.975 0.823) 5.363 20.953 ( -5.010 2.472 -4.650) 7.268 20.953 ( -5.010 2.472 4.650) 7.268 22.232 ( 11.909 5.268 -6.971) 14.770 22.232 ( 11.909 5.268 6.971) 14.770 23.032 ( -7.738 -15.463 -10.494) 20.226 23.032 ( -7.738 -15.463 10.494) 20.226 23.716 ( 1.686 9.418 -3.513) 10.193 23.716 ( 1.686 9.418 3.513) 10.193 24.047 ( -5.524 -1.495 -10.390) 11.862 24.047 ( -5.524 -1.495 10.390) 11.862 24.291 ( 3.292 0.842 -2.309) 4.108 24.291 ( 3.292 0.842 2.309) 4.108 24.377 ( 0.209 -1.046 -4.095) 4.232 24.377 ( 0.209 -1.046 4.095) 4.232 ======================= Grid point 160 (56/60) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 1.132 1.555 -4.619) 5.003 1.682 ( 1.132 1.555 4.619) 5.003 1.825 ( -11.094 -1.665 -0.828) 11.249 1.825 ( -11.094 -1.665 0.828) 11.248 2.185 ( 4.878 -5.969 -8.104) 11.184 2.185 ( 4.878 -5.969 8.104) 11.184 2.266 ( -3.601 -6.771 -4.854) 9.076 2.266 ( -3.602 -6.771 4.854) 9.076 2.734 ( 5.676 10.306 -5.756) 13.099 2.734 ( 5.676 10.306 5.756) 13.099 2.845 ( -3.699 7.128 -2.523) 8.418 2.845 ( -3.699 7.128 2.523) 8.418 3.256 ( 4.498 -1.543 -7.387) 8.786 3.256 ( 4.498 -1.543 7.387) 8.786 3.408 ( -7.883 0.114 -5.952) 9.879 3.408 ( -7.883 0.114 5.952) 9.879 3.788 ( 7.658 -2.987 -1.362) 8.332 3.788 ( 7.658 -2.987 1.362) 8.332 3.864 ( -0.185 -6.737 -1.999) 7.029 3.864 ( -0.185 -6.737 1.999) 7.029 4.093 ( 1.710 -0.724 -1.129) 2.173 4.093 ( 1.710 -0.724 1.129) 2.173 4.183 ( -4.124 4.853 -5.325) 8.301 4.183 ( -4.124 4.853 5.325) 8.301 4.265 ( 6.329 6.974 -3.365) 10.000 4.265 ( 6.329 6.974 3.365) 10.000 4.444 ( -9.390 5.252 -5.664) 12.159 4.444 ( -9.390 5.252 5.664) 12.159 4.791 ( 8.730 -0.602 -3.965) 9.607 4.791 ( 8.730 -0.602 3.965) 9.607 4.995 ( -9.256 -2.066 -6.524) 11.511 4.995 ( -9.256 -2.066 6.524) 11.511 5.076 ( 12.022 -3.438 -2.368) 12.726 5.076 ( 12.022 -3.438 2.368) 12.726 5.304 ( -8.389 -5.077 -0.799) 9.838 5.304 ( -8.389 -5.077 0.799) 9.838 5.802 ( 5.154 2.738 -3.027) 6.574 5.802 ( 5.154 2.738 3.027) 6.574 5.870 ( -0.625 0.801 -5.309) 5.406 5.870 ( -0.625 0.801 5.309) 5.406 6.277 ( 3.438 -2.980 -4.263) 6.235 6.277 ( 3.438 -2.980 4.263) 6.235 6.326 ( 1.005 -4.748 -7.426) 8.871 6.326 ( 1.005 -4.748 7.426) 8.871 6.636 ( -3.176 3.833 -3.018) 5.821 6.636 ( -3.176 3.833 3.018) 5.821 6.700 ( -6.361 3.521 -5.754) 9.272 6.700 ( -6.361 3.521 5.754) 9.272 8.185 ( 5.151 -1.014 -5.970) 7.950 8.185 ( 5.151 -1.014 5.970) 7.950 8.258 ( -1.010 1.118 -0.664) 1.646 8.258 ( -1.010 1.118 0.664) 1.646 9.239 ( 3.015 1.293 -2.163) 3.929 9.239 ( 3.015 1.293 2.163) 3.929 9.346 ( -6.316 -0.376 -3.805) 7.383 9.346 ( -6.316 -0.376 3.805) 7.383 10.858 ( 5.981 -0.682 -4.894) 7.758 10.858 ( 5.981 -0.682 4.894) 7.758 10.953 ( -1.262 -0.661 -2.137) 2.568 10.953 ( -1.262 -0.661 2.137) 2.568 11.332 ( 3.204 -0.914 -4.033) 5.231 11.332 ( 3.204 -0.914 4.033) 5.231 11.496 ( -10.221 -0.582 -4.024) 11.000 11.496 ( -10.221 -0.582 4.024) 11.000 12.560 ( 1.087 -1.164 -3.596) 3.933 12.560 ( 1.087 -1.164 3.596) 3.933 12.581 ( -1.293 -1.141 -2.249) 2.834 12.581 ( -1.293 -1.141 2.249) 2.834 12.735 ( 2.122 4.506 -1.310) 5.150 12.735 ( 2.122 4.506 1.310) 5.150 12.853 ( -7.084 1.261 -2.006) 7.470 12.853 ( -7.084 1.261 2.006) 7.470 14.544 ( 2.780 0.384 -2.911) 4.044 14.544 ( 2.780 0.384 2.911) 4.044 14.610 ( -3.072 -0.916 -3.618) 4.834 14.610 ( -3.072 -0.916 3.618) 4.834 15.493 ( 12.046 -1.144 -6.152) 13.574 15.493 ( 12.046 -1.144 6.152) 13.574 15.717 ( -8.986 -4.740 -9.358) 13.812 15.717 ( -8.986 -4.740 9.358) 13.813 20.668 ( 5.748 4.808 -1.868) 7.723 20.668 ( 5.748 4.808 1.868) 7.723 20.812 ( -7.532 4.332 -3.255) 9.279 20.812 ( -7.532 4.332 3.255) 9.279 22.515 ( 14.374 -2.029 -7.899) 16.526 22.515 ( 14.374 -2.029 7.899) 16.526 22.808 ( -12.983 -9.096 -9.528) 18.495 22.808 ( -12.983 -9.096 9.528) 18.495 23.800 ( 5.557 5.060 -8.430) 11.294 23.800 ( 5.557 5.060 8.430) 11.294 23.925 ( -6.074 1.116 -10.650) 12.311 23.925 ( -6.074 1.116 10.650) 12.311 24.342 ( 1.845 -0.007 -1.222) 2.213 24.342 ( 1.845 -0.007 1.222) 2.213 24.372 ( -0.843 -0.609 -1.613) 1.919 24.372 ( -0.843 -0.609 1.613) 1.919 ======================= Grid point 168 (57/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( 0.000 0.971 -11.259) 11.301 1.898 ( 0.000 0.971 11.259) 11.301 1.908 ( 0.000 0.139 -12.550) 12.551 1.908 ( 0.000 0.139 12.550) 12.551 2.434 ( 0.000 8.519 -7.244) 11.182 2.434 ( 0.000 8.519 7.244) 11.182 2.517 ( 0.000 3.042 -3.563) 4.685 2.517 ( 0.000 3.042 3.563) 4.685 2.833 ( 0.000 -2.097 -16.197) 16.332 2.833 ( 0.000 -2.097 16.197) 16.332 2.882 ( 0.000 -5.967 -8.997) 10.796 2.882 ( 0.000 -5.967 8.997) 10.796 3.094 ( 0.000 1.905 -6.951) 7.207 3.094 ( 0.000 1.905 6.951) 7.207 3.220 ( 0.000 -8.442 -5.679) 10.175 3.220 ( 0.000 -8.442 5.679) 10.175 3.702 ( 0.000 3.676 -1.736) 4.066 3.702 ( 0.000 3.676 1.736) 4.066 3.810 ( 0.000 -7.044 -2.954) 7.639 3.810 ( 0.000 -7.044 2.954) 7.639 4.073 ( 0.000 8.656 -7.545) 11.483 4.073 ( 0.000 8.656 7.545) 11.483 4.225 ( 0.000 -4.268 -8.261) 9.298 4.225 ( 0.000 -4.268 8.261) 9.298 4.311 ( 0.000 4.283 -5.653) 7.092 4.311 ( 0.000 4.283 5.653) 7.092 4.361 ( 0.000 -2.537 -2.905) 3.857 4.361 ( 0.000 -2.537 2.905) 3.857 4.654 ( 0.000 0.526 -8.513) 8.530 4.654 ( 0.000 0.526 8.513) 8.530 4.692 ( 0.000 -2.304 -6.089) 6.511 4.692 ( 0.000 -2.304 6.089) 6.511 5.452 ( 0.000 10.951 -11.536) 15.906 5.452 ( 0.000 10.951 11.536) 15.906 5.548 ( 0.000 0.291 -2.452) 2.469 5.548 ( 0.000 0.291 2.452) 2.469 5.580 ( 0.000 6.926 -1.979) 7.203 5.580 ( 0.000 6.926 1.979) 7.203 5.747 ( 0.000 -8.703 -4.170) 9.650 5.747 ( 0.000 -8.703 4.170) 9.650 6.044 ( 0.000 3.052 -2.586) 4.000 6.044 ( 0.000 3.052 2.586) 4.000 6.149 ( 0.000 -7.703 -2.308) 8.041 6.149 ( 0.000 -7.703 2.308) 8.041 7.029 ( 0.000 -0.795 -11.711) 11.738 7.029 ( 0.000 -0.795 11.711) 11.738 7.032 ( 0.000 -1.017 -7.732) 7.798 7.032 ( 0.000 -1.017 7.732) 7.798 8.013 ( 0.000 1.955 -6.941) 7.211 8.013 ( 0.000 1.955 6.941) 7.211 8.050 ( 0.000 -1.751 -7.391) 7.595 8.050 ( 0.000 -1.751 7.391) 7.595 9.411 ( 0.000 4.667 -4.509) 6.489 9.411 ( 0.000 4.667 4.509) 6.489 9.498 ( 0.000 -4.125 -6.511) 7.707 9.498 ( 0.000 -4.125 6.511) 7.707 10.640 ( 0.000 2.322 -1.996) 3.062 10.640 ( 0.000 2.322 1.996) 3.062 10.682 ( 0.000 -1.838 -3.269) 3.750 10.682 ( 0.000 -1.838 3.269) 3.750 11.650 ( 0.000 2.920 -9.298) 9.746 11.650 ( 0.000 2.920 9.298) 9.746 11.731 ( 0.000 -5.270 -9.961) 11.269 11.731 ( 0.000 -5.270 9.961) 11.269 12.568 ( 0.000 9.296 -1.630) 9.438 12.568 ( 0.000 9.296 1.630) 9.438 12.691 ( 0.000 -3.269 -1.210) 3.486 12.691 ( 0.000 -3.269 1.210) 3.486 13.106 ( 0.000 3.883 -9.075) 9.871 13.106 ( 0.000 3.883 9.075) 9.871 13.229 ( 0.000 -8.473 -7.969) 11.632 13.229 ( 0.000 -8.473 7.969) 11.632 14.567 ( 0.000 1.866 -1.507) 2.399 14.567 ( 0.000 1.866 1.507) 2.399 14.594 ( 0.000 -0.809 -1.702) 1.885 14.594 ( 0.000 -0.809 1.702) 1.885 15.116 ( 0.000 16.368 -8.786) 18.577 15.116 ( 0.000 16.368 8.786) 18.577 15.492 ( 0.000 -21.853 -12.231) 25.043 15.492 ( 0.000 -21.853 12.231) 25.043 20.751 ( 0.000 6.953 -7.628) 10.322 20.751 ( 0.000 6.953 7.628) 10.322 20.875 ( 0.000 -5.725 -7.703) 9.597 20.875 ( 0.000 -5.725 7.703) 9.597 22.368 ( 0.000 22.229 -6.391) 23.130 22.368 ( 0.000 22.229 6.391) 23.130 22.787 ( 0.000 -20.572 -7.282) 21.822 22.787 ( 0.000 -20.572 7.282) 21.822 23.957 ( 0.000 6.214 -8.087) 10.199 23.957 ( 0.000 6.214 8.087) 10.199 24.049 ( 0.000 -3.025 -8.275) 8.811 24.049 ( 0.000 -3.025 8.275) 8.811 24.273 ( 0.000 -0.585 -12.438) 12.452 24.273 ( 0.000 -0.585 12.438) 12.452 24.275 ( 0.000 -1.033 -6.443) 6.526 24.275 ( 0.000 -1.033 6.443) 6.526 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( -0.518 1.910 -7.106) 7.376 1.889 ( -0.518 1.910 7.106) 7.376 1.927 ( 1.606 -1.431 -9.621) 9.859 1.927 ( 1.606 -1.431 9.621) 9.859 2.335 ( -11.614 5.985 -13.614) 18.869 2.335 ( -11.614 5.985 13.614) 18.869 2.517 ( -2.965 0.693 -1.722) 3.498 2.517 ( -2.965 0.693 1.722) 3.498 2.744 ( -2.178 2.942 -2.404) 4.380 2.744 ( -2.178 2.942 2.404) 4.380 2.808 ( -2.083 -4.740 -6.713) 8.478 2.808 ( -2.083 -4.740 6.713) 8.478 3.188 ( 5.194 -0.291 -2.477) 5.761 3.188 ( 5.194 -0.291 2.477) 5.761 3.272 ( 2.925 -7.151 -5.622) 9.555 3.272 ( 2.925 -7.151 5.622) 9.555 3.649 ( -0.360 0.334 -3.535) 3.569 3.649 ( -0.360 0.334 3.535) 3.569 3.860 ( 0.575 -1.506 -3.113) 3.506 3.860 ( 0.575 -1.506 3.113) 3.506 4.104 ( 0.436 5.951 -6.923) 9.140 4.104 ( 0.436 5.951 6.923) 9.140 4.250 ( -0.437 -4.065 -6.968) 8.079 4.250 ( -0.437 -4.065 6.968) 8.079 4.290 ( 0.444 4.937 -5.852) 7.669 4.290 ( 0.444 4.937 5.852) 7.669 4.410 ( 6.832 -1.892 -1.125) 7.178 4.410 ( 6.832 -1.892 1.125) 7.178 4.633 ( 1.329 -0.491 -3.545) 3.817 4.633 ( 1.329 -0.491 3.545) 3.817 4.760 ( 2.562 -0.522 -5.410) 6.009 4.760 ( 2.562 -0.522 5.410) 6.009 5.330 ( -7.438 4.428 -8.597) 12.200 5.330 ( -7.438 4.428 8.597) 12.200 5.517 ( -5.523 4.371 -0.747) 7.083 5.517 ( -5.523 4.371 0.747) 7.083 5.665 ( 4.921 1.457 -2.662) 5.782 5.665 ( 4.921 1.457 2.662) 5.782 5.780 ( 1.105 -3.989 -3.318) 5.304 5.780 ( 1.105 -3.989 3.318) 5.304 5.949 ( 1.875 -2.425 -8.998) 9.505 5.949 ( 1.875 -2.425 8.998) 9.505 6.293 ( 5.976 -0.722 -1.478) 6.198 6.293 ( 5.976 -0.722 1.478) 6.198 6.959 ( -5.836 -0.206 -10.438) 11.960 6.959 ( -5.836 -0.206 10.438) 11.960 6.973 ( -5.525 -1.407 -4.996) 7.580 6.973 ( -5.525 -1.407 4.996) 7.580 7.971 ( -0.059 -0.748 -9.564) 9.593 7.971 ( -0.059 -0.748 9.564) 9.593 8.156 ( 5.956 0.827 -4.441) 7.475 8.156 ( 5.956 0.827 4.441) 7.475 9.367 ( -3.547 3.434 -7.123) 8.667 9.367 ( -3.547 3.434 7.123) 8.667 9.489 ( -1.263 -2.821 -5.788) 6.562 9.489 ( -1.263 -2.821 5.788) 6.562 10.664 ( 2.381 1.009 -3.761) 4.564 10.664 ( 2.381 1.009 3.761) 4.564 10.736 ( 4.877 -0.907 -2.361) 5.493 10.736 ( 4.877 -0.907 2.361) 5.493 11.545 ( -7.558 0.115 -10.055) 12.579 11.545 ( -7.558 0.115 10.055) 12.579 11.751 ( -0.578 -2.055 -8.476) 8.740 11.751 ( -0.578 -2.055 8.476) 8.740 12.558 ( -0.734 6.737 -1.076) 6.862 12.558 ( -0.734 6.737 1.076) 6.862 12.669 ( -2.166 -1.924 -1.388) 3.212 12.669 ( -2.166 -1.924 1.388) 3.212 13.033 ( -5.967 -0.275 -7.279) 9.417 13.033 ( -5.967 -0.275 7.279) 9.417 13.133 ( -8.082 -2.302 -5.543) 10.067 13.133 ( -8.082 -2.302 5.543) 10.067 14.545 ( -0.514 2.150 -2.147) 3.081 14.545 ( -0.514 2.150 2.147) 3.081 14.602 ( -0.040 -2.399 -1.524) 2.842 14.602 ( -0.040 -2.399 1.524) 2.842 15.164 ( 4.419 10.320 -4.449) 12.076 15.164 ( 4.419 10.320 4.449) 12.076 15.577 ( 6.164 -15.153 -13.093) 20.953 15.577 ( 6.164 -15.153 13.093) 20.953 20.690 ( -2.741 3.843 -5.031) 6.899 20.690 ( -2.741 3.843 5.031) 6.899 20.959 ( 4.358 -1.863 -8.979) 10.153 20.959 ( 4.358 -1.863 8.979) 10.153 22.365 ( 0.178 19.641 -7.128) 20.895 22.365 ( 0.178 19.641 7.128) 20.895 22.769 ( -1.705 -19.941 -7.460) 21.359 22.769 ( -1.705 -19.941 7.460) 21.359 23.896 ( -2.675 5.483 -8.055) 10.104 23.896 ( -2.675 5.483 8.055) 10.104 24.078 ( -1.780 -2.930 -1.800) 3.872 24.078 ( -1.780 -2.930 1.800) 3.872 24.243 ( 2.307 0.827 -6.793) 7.222 24.243 ( 2.307 0.827 6.793) 7.222 24.333 ( 1.773 -1.098 -7.976) 8.244 24.333 ( 1.773 -1.098 7.976) 8.244 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -4.765 3.916 -5.583) 8.319 1.843 ( -4.765 3.916 5.583) 8.319 1.973 ( -1.939 -2.866 -11.762) 12.261 1.973 ( -1.939 -2.866 11.762) 12.261 2.047 ( -7.986 -0.772 -11.648) 14.144 2.047 ( -7.986 -0.772 11.648) 14.144 2.323 ( -11.450 -2.754 -3.919) 12.412 2.323 ( -11.450 -2.754 3.919) 12.412 2.784 ( 5.384 4.461 -10.350) 12.490 2.784 ( 5.384 4.461 10.350) 12.490 2.916 ( 7.755 4.630 -5.026) 10.336 2.916 ( 7.755 4.630 5.026) 10.336 3.182 ( -2.631 -3.652 -7.435) 8.691 3.182 ( -2.631 -3.652 7.435) 8.691 3.376 ( 4.478 -4.413 -6.684) 9.177 3.376 ( 4.478 -4.413 6.684) 9.177 3.697 ( 3.608 0.720 -5.169) 6.345 3.697 ( 3.608 0.720 5.169) 6.345 3.831 ( -2.837 0.263 -3.273) 4.340 3.831 ( -2.837 0.263 3.273) 4.340 4.047 ( -2.919 -1.537 -2.719) 4.275 4.047 ( -2.919 -1.537 2.719) 4.275 4.218 ( -0.730 -0.560 -7.657) 7.712 4.218 ( -0.730 -0.560 7.657) 7.712 4.384 ( 5.365 10.408 -3.139) 12.122 4.384 ( 5.365 10.408 3.139) 12.122 4.568 ( 5.304 -4.747 -1.063) 7.197 4.568 ( 5.304 -4.747 1.063) 7.197 4.696 ( 2.226 3.536 -1.752) 4.531 4.696 ( 2.226 3.536 1.752) 4.531 4.790 ( 3.417 -3.260 -3.008) 5.599 4.790 ( 3.417 -3.260 3.008) 5.599 5.161 ( -8.522 0.188 -7.367) 11.267 5.161 ( -8.522 0.188 7.367) 11.267 5.372 ( -7.136 -1.180 -1.721) 7.435 5.372 ( -7.136 -1.180 1.721) 7.435 5.759 ( 3.767 1.883 -1.841) 4.596 5.759 ( 3.767 1.883 1.841) 4.596 5.795 ( 3.356 -2.141 -3.192) 5.102 5.795 ( 3.356 -2.141 3.192) 5.102 6.116 ( 9.196 -1.041 -15.452) 18.011 6.116 ( 9.196 -1.041 15.452) 18.011 6.333 ( -2.100 0.928 -1.618) 2.809 6.333 ( -2.100 0.928 1.618) 2.809 6.805 ( -7.924 0.612 -1.632) 8.113 6.805 ( -7.924 0.612 1.632) 8.113 6.846 ( -5.494 -0.641 -6.285) 8.372 6.846 ( -5.494 -0.641 6.285) 8.372 8.030 ( 5.401 -1.269 -10.734) 12.083 8.030 ( 5.401 -1.269 10.734) 12.083 8.260 ( 3.392 1.143 -3.097) 4.733 8.260 ( 3.392 1.143 3.097) 4.733 9.290 ( -3.121 2.429 -8.801) 9.649 9.290 ( -3.121 2.429 8.801) 9.649 9.434 ( -3.977 -1.722 -4.729) 6.415 9.434 ( -3.977 -1.722 4.729) 6.415 10.737 ( 4.467 -0.013 -6.323) 7.741 10.737 ( 4.467 -0.013 6.323) 7.741 10.866 ( 6.706 -0.454 -2.079) 7.035 10.866 ( 6.706 -0.454 2.079) 7.035 11.377 ( -7.433 -0.585 -10.330) 12.740 11.377 ( -7.433 -0.585 10.330) 12.740 11.673 ( -6.862 -0.792 -6.895) 9.760 11.673 ( -6.862 -0.792 6.895) 9.760 12.547 ( -0.230 2.153 -3.152) 3.824 12.547 ( -0.230 2.153 3.152) 3.824 12.608 ( -3.076 -1.028 -1.427) 3.543 12.608 ( -3.076 -1.028 1.427) 3.543 12.894 ( -6.228 3.425 -4.267) 8.291 12.894 ( -6.228 3.425 4.267) 8.291 12.970 ( -6.278 -2.095 -3.064) 7.293 12.970 ( -6.278 -2.095 3.064) 7.293 14.542 ( 0.036 2.394 -1.557) 2.855 14.542 ( 0.036 2.394 1.557) 2.855 14.603 ( -0.001 -3.051 -1.419) 3.365 14.603 ( -0.001 -3.051 1.419) 3.365 15.297 ( 8.002 3.570 -4.522) 9.860 15.297 ( 8.002 3.570 4.522) 9.860 15.669 ( 1.484 -7.643 -12.538) 14.759 15.669 ( 1.484 -7.643 12.538) 14.759 20.678 ( 1.689 3.312 -1.870) 4.161 20.678 ( 1.689 3.312 1.870) 4.161 20.988 ( -2.014 0.848 -7.952) 8.247 20.988 ( -2.014 0.848 7.952) 8.247 22.398 ( 3.358 11.691 -8.089) 14.608 22.398 ( 3.358 11.691 8.089) 14.608 22.716 ( -3.343 -15.978 -7.614) 18.013 22.716 ( -3.343 -15.978 7.614) 18.013 23.872 ( 0.181 6.101 -6.885) 9.201 23.872 ( 0.181 6.101 6.885) 9.201 24.003 ( -3.836 -2.883 -5.534) 7.325 24.003 ( -3.836 -2.883 5.534) 7.325 24.312 ( 2.699 1.178 -3.037) 4.230 24.312 ( 2.699 1.178 3.037) 4.230 24.352 ( 0.404 -1.346 -4.979) 5.173 24.352 ( 0.404 -1.346 4.979) 5.173 ======================= Grid point 174 (60/60) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.98e-04 5.98e-04 5.98e-04 5.98e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -3.079 2.952 -3.260) 5.368 1.727 ( -3.079 2.952 3.260) 5.368 1.783 ( -7.811 -2.644 -1.643) 8.409 1.783 ( -7.811 -2.644 1.642) 8.409 2.091 ( 3.375 -2.860 -10.316) 11.224 2.091 ( 3.375 -2.860 10.316) 11.224 2.160 ( -4.217 -3.391 -6.522) 8.475 2.160 ( -4.217 -3.391 6.522) 8.475 2.900 ( 5.112 5.700 -4.899) 9.089 2.900 ( 5.112 5.700 4.899) 9.089 2.986 ( -2.276 5.416 -5.596) 8.113 2.986 ( -2.276 5.416 5.596) 8.113 3.224 ( 7.578 -1.007 -4.392) 8.817 3.224 ( 7.578 -1.007 4.392) 8.817 3.379 ( -4.809 -2.662 -5.520) 7.790 3.379 ( -4.809 -2.662 5.520) 7.790 3.749 ( 0.991 -1.267 -2.692) 3.136 3.749 ( 0.991 -1.267 2.692) 3.136 3.773 ( -1.820 -2.088 -1.857) 3.335 3.773 ( -1.820 -2.088 1.857) 3.335 4.073 ( 5.611 -0.854 -4.104) 7.004 4.073 ( 5.611 -0.854 4.105) 7.004 4.199 ( -3.516 -0.419 -7.779) 8.547 4.199 ( -3.516 -0.419 7.779) 8.547 4.465 ( 3.486 10.405 -2.274) 11.206 4.465 ( 3.486 10.405 2.274) 11.206 4.556 ( -4.220 3.287 -5.472) 7.652 4.556 ( -4.219 3.287 5.472) 7.652 4.767 ( 5.700 -0.272 -3.428) 6.657 4.767 ( 5.700 -0.272 3.428) 6.657 4.883 ( -1.954 -7.954 -5.473) 9.851 4.883 ( -1.954 -7.954 5.473) 9.851 5.052 ( 3.485 0.095 -3.861) 5.203 5.052 ( 3.485 0.095 3.861) 5.203 5.215 ( -8.325 -2.990 -2.445) 9.177 5.215 ( -8.325 -2.990 2.445) 9.177 5.844 ( 4.573 1.258 -4.857) 6.788 5.844 ( 4.573 1.258 4.857) 6.788 5.883 ( 2.292 0.396 -8.232) 8.555 5.883 ( 2.292 0.396 8.232) 8.555 6.227 ( 1.006 -1.255 -8.967) 9.111 6.227 ( 1.006 -1.255 8.968) 9.111 6.260 ( -2.929 -2.069 -3.748) 5.187 6.260 ( -2.929 -2.069 3.748) 5.187 6.698 ( -0.815 2.106 -4.918) 5.411 6.698 ( -0.815 2.106 4.918) 5.411 6.748 ( -4.059 1.207 -7.287) 8.428 6.748 ( -4.059 1.207 7.287) 8.428 8.170 ( 6.886 -0.462 -8.956) 11.306 8.170 ( 6.886 -0.462 8.956) 11.306 8.275 ( -2.361 0.536 -3.272) 4.071 8.275 ( -2.361 0.536 3.272) 4.071 9.265 ( 1.223 1.113 -4.641) 4.927 9.265 ( 1.223 1.113 4.641) 4.927 9.336 ( -4.800 -0.549 -1.740) 5.135 9.336 ( -4.800 -0.549 1.740) 5.135 10.846 ( 5.687 -0.434 -6.941) 8.983 10.846 ( 5.687 -0.434 6.941) 8.983 10.941 ( -1.501 -0.427 -3.546) 3.875 10.941 ( -1.501 -0.427 3.546) 3.875 11.316 ( 3.751 -0.530 -5.910) 7.019 11.316 ( 3.751 -0.530 5.910) 7.019 11.486 ( -10.039 -0.343 -5.214) 11.317 11.486 ( -10.039 -0.343 5.214) 11.317 12.547 ( 0.219 -0.226 -4.897) 4.907 12.547 ( 0.219 -0.226 4.897) 4.907 12.561 ( -1.308 -0.716 -3.528) 3.830 12.561 ( -1.308 -0.716 3.528) 3.830 12.820 ( -0.421 3.776 -1.650) 4.142 12.820 ( -0.421 3.776 1.650) 4.142 12.864 ( -3.984 -0.663 -2.260) 4.628 12.864 ( -3.984 -0.663 2.260) 4.628 14.555 ( 1.337 0.679 -2.734) 3.119 14.555 ( 1.337 0.679 2.734) 3.119 14.588 ( -1.429 -1.060 -2.110) 2.760 14.588 ( -1.429 -1.060 2.110) 2.760 15.478 ( 8.610 -0.268 -6.612) 10.859 15.478 ( 8.610 -0.268 6.612) 10.859 15.628 ( -5.076 -3.314 -9.960) 11.660 15.628 ( -5.076 -3.314 9.960) 11.660 20.757 ( 5.558 3.216 -2.069) 6.747 20.757 ( 5.558 3.216 2.069) 6.747 20.890 ( -6.442 2.686 -4.976) 8.572 20.890 ( -6.442 2.686 4.976) 8.572 22.502 ( 5.992 1.499 -8.032) 10.132 22.502 ( 5.992 1.499 8.032) 10.132 22.625 ( -5.347 -8.159 -7.770) 12.471 22.625 ( -5.347 -8.159 7.770) 12.471 23.892 ( 1.562 3.756 -5.810) 7.092 23.892 ( 1.562 3.756 5.810) 7.092 23.936 ( -2.623 -0.419 -6.421) 6.949 23.936 ( -2.623 -0.419 6.421) 6.949 24.345 ( 0.894 0.330 -1.707) 1.955 24.345 ( 0.894 0.330 1.707) 1.955 24.357 ( -0.128 -0.761 -1.684) 1.852 24.357 ( -0.128 -0.761 1.684) 1.852 =================== 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 3/26880 10.0 143.385 186.206 147.162 0.000 0.000 0.000 3/26880 20.0 36.770 31.947 35.401 0.000 0.000 -0.000 3/26880 30.0 17.592 13.890 16.513 0.000 0.000 -0.000 3/26880 40.0 10.698 8.263 9.944 0.000 0.000 -0.000 3/26880 50.0 7.489 5.742 6.926 0.000 0.000 -0.000 3/26880 60.0 5.733 4.369 5.282 0.000 0.000 -0.000 3/26880 70.0 4.649 3.521 4.271 0.000 0.000 -0.000 3/26880 80.0 3.920 2.949 3.592 0.000 0.000 -0.000 3/26880 90.0 3.396 2.538 3.105 0.000 0.000 -0.000 3/26880 100.0 3.002 2.229 2.738 0.000 0.000 -0.000 3/26880 110.0 2.695 1.989 2.453 0.000 0.000 -0.000 3/26880 120.0 2.449 1.798 2.224 0.000 0.000 -0.000 3/26880 130.0 2.247 1.642 2.037 0.000 0.000 -0.000 3/26880 140.0 2.079 1.513 1.881 0.000 0.000 -0.000 3/26880 150.0 1.936 1.404 1.750 0.000 0.000 -0.000 3/26880 160.0 1.813 1.311 1.638 0.000 0.000 -0.000 3/26880 170.0 1.707 1.232 1.541 0.000 0.000 -0.000 3/26880 180.0 1.614 1.162 1.456 0.000 0.000 -0.000 3/26880 190.0 1.532 1.102 1.382 0.000 0.000 -0.000 3/26880 200.0 1.458 1.048 1.316 0.000 0.000 -0.000 3/26880 210.0 1.392 1.000 1.258 0.000 0.000 -0.000 3/26880 220.0 1.333 0.957 1.205 0.000 0.000 -0.000 3/26880 230.0 1.278 0.918 1.157 0.000 0.000 -0.000 3/26880 240.0 1.229 0.882 1.114 0.000 0.000 -0.000 3/26880 250.0 1.184 0.850 1.074 0.000 0.000 -0.000 3/26880 260.0 1.142 0.820 1.038 0.000 0.000 -0.000 3/26880 270.0 1.103 0.793 1.004 0.000 0.000 -0.000 3/26880 280.0 1.067 0.768 0.973 0.000 0.000 -0.000 3/26880 290.0 1.034 0.744 0.944 0.000 0.000 -0.000 3/26880 300.0 1.002 0.722 0.917 0.000 0.000 -0.000 3/26880 310.0 0.973 0.701 0.892 0.000 0.000 -0.000 3/26880 320.0 0.945 0.682 0.868 0.000 0.000 -0.000 3/26880 330.0 0.919 0.664 0.845 0.000 0.000 -0.000 3/26880 340.0 0.895 0.647 0.824 0.000 0.000 -0.000 3/26880 350.0 0.872 0.630 0.804 0.000 0.000 -0.000 3/26880 360.0 0.850 0.615 0.785 0.000 0.000 -0.000 3/26880 370.0 0.829 0.600 0.767 0.000 0.000 -0.000 3/26880 380.0 0.809 0.586 0.750 0.000 0.000 -0.000 3/26880 390.0 0.790 0.573 0.733 0.000 0.000 -0.000 3/26880 400.0 0.772 0.560 0.717 0.000 0.000 -0.000 3/26880 410.0 0.755 0.548 0.702 0.000 0.000 -0.000 3/26880 420.0 0.738 0.537 0.688 0.000 0.000 -0.000 3/26880 430.0 0.722 0.526 0.674 0.000 0.000 -0.000 3/26880 440.0 0.707 0.515 0.661 0.000 0.000 -0.000 3/26880 450.0 0.693 0.505 0.648 0.000 0.000 -0.000 3/26880 460.0 0.679 0.495 0.636 0.000 0.000 -0.000 3/26880 470.0 0.666 0.486 0.624 0.000 0.000 -0.000 3/26880 480.0 0.653 0.476 0.613 0.000 0.000 -0.000 3/26880 490.0 0.641 0.468 0.602 0.000 0.000 -0.000 3/26880 500.0 0.629 0.459 0.591 0.000 0.000 -0.000 3/26880 510.0 0.617 0.451 0.581 0.000 0.000 -0.000 3/26880 520.0 0.606 0.443 0.571 0.000 0.000 -0.000 3/26880 530.0 0.595 0.436 0.562 0.000 0.000 -0.000 3/26880 540.0 0.585 0.428 0.552 0.000 0.000 -0.000 3/26880 550.0 0.575 0.421 0.543 0.000 0.000 -0.000 3/26880 560.0 0.566 0.414 0.535 0.000 0.000 -0.000 3/26880 570.0 0.556 0.408 0.526 0.000 0.000 -0.000 3/26880 580.0 0.547 0.401 0.518 0.000 0.000 -0.000 3/26880 590.0 0.539 0.395 0.510 0.000 0.000 -0.000 3/26880 600.0 0.530 0.389 0.503 0.000 0.000 -0.000 3/26880 610.0 0.522 0.383 0.495 0.000 0.000 -0.000 3/26880 620.0 0.514 0.377 0.488 0.000 0.000 -0.000 3/26880 630.0 0.506 0.372 0.481 0.000 0.000 -0.000 3/26880 640.0 0.499 0.366 0.474 0.000 0.000 -0.000 3/26880 650.0 0.491 0.361 0.467 0.000 0.000 -0.000 3/26880 660.0 0.484 0.356 0.461 0.000 0.000 -0.000 3/26880 670.0 0.478 0.351 0.455 0.000 0.000 -0.000 3/26880 680.0 0.471 0.346 0.449 0.000 0.000 -0.000 3/26880 690.0 0.464 0.342 0.443 0.000 0.000 -0.000 3/26880 700.0 0.458 0.337 0.437 0.000 0.000 -0.000 3/26880 710.0 0.452 0.333 0.431 0.000 0.000 -0.000 3/26880 720.0 0.446 0.328 0.426 0.000 0.000 -0.000 3/26880 730.0 0.440 0.324 0.420 0.000 0.000 -0.000 3/26880 740.0 0.434 0.320 0.415 0.000 0.000 -0.000 3/26880 750.0 0.429 0.316 0.410 0.000 0.000 -0.000 3/26880 760.0 0.423 0.312 0.405 0.000 0.000 -0.000 3/26880 770.0 0.418 0.308 0.400 0.000 0.000 -0.000 3/26880 780.0 0.413 0.304 0.395 0.000 0.000 -0.000 3/26880 790.0 0.408 0.301 0.390 0.000 0.000 -0.000 3/26880 800.0 0.403 0.297 0.386 0.000 0.000 -0.000 3/26880 810.0 0.398 0.294 0.381 0.000 0.000 -0.000 3/26880 820.0 0.394 0.290 0.377 0.000 0.000 -0.000 3/26880 830.0 0.389 0.287 0.373 0.000 0.000 -0.000 3/26880 840.0 0.385 0.284 0.369 0.000 0.000 -0.000 3/26880 850.0 0.380 0.281 0.365 0.000 0.000 -0.000 3/26880 860.0 0.376 0.277 0.361 0.000 0.000 -0.000 3/26880 870.0 0.372 0.274 0.357 0.000 0.000 -0.000 3/26880 880.0 0.368 0.271 0.353 0.000 0.000 -0.000 3/26880 890.0 0.364 0.268 0.349 0.000 0.000 -0.000 3/26880 900.0 0.360 0.266 0.345 0.000 0.000 -0.000 3/26880 910.0 0.356 0.263 0.342 0.000 0.000 -0.000 3/26880 920.0 0.352 0.260 0.338 0.000 0.000 -0.000 3/26880 930.0 0.348 0.257 0.335 0.000 0.000 -0.000 3/26880 940.0 0.345 0.255 0.331 0.000 0.000 -0.000 3/26880 950.0 0.341 0.252 0.328 0.000 0.000 -0.000 3/26880 960.0 0.338 0.250 0.325 0.000 0.000 -0.000 3/26880 970.0 0.334 0.247 0.322 0.000 0.000 -0.000 3/26880 980.0 0.331 0.245 0.319 0.000 0.000 -0.000 3/26880 990.0 0.328 0.242 0.316 0.000 0.000 -0.000 3/26880 1000.0 0.325 0.240 0.312 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m758.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:36:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|