----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:03:49]------------------------- 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 2 1] 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 4.729935919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.777302829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.965037189999999 Atomic positions (fractional): *1 Sn 0.99715458070314 0.34724173765263 0.91597983087015 118.710 2 Sn 0.50284541929686 0.15275826234737 0.41597983087015 118.710 3 Sn 0.00284541929686 0.34724173765263 0.58402016912985 118.710 *4 Sn 0.00000000000000 0.02790954707302 0.75000000000000 118.710 5 Sn 0.99715458070314 0.65275826234737 0.41597983087015 118.710 6 Sn 0.49715458070314 0.84724173765263 0.58402016912985 118.710 7 Sn 0.49715458070314 0.15275826234737 0.08402016912985 118.710 8 Sn 0.50000000000000 0.47209045292698 0.25000000000000 118.710 9 Sn 0.50284541929686 0.84724173765263 0.91597983087015 118.710 10 Sn 0.50000000000000 0.52790954707302 0.75000000000000 118.710 11 Sn 0.00284541929686 0.65275826234737 0.08402016912985 118.710 12 Sn 0.00000000000000 0.97209045292698 0.25000000000000 118.710 *13 O 0.21413720962680 0.92742909577880 0.36178657722424 15.999 *14 O 0.27166873153306 0.19926549794797 0.19455307433179 15.999 15 O 0.78586279037320 0.92742909577880 0.13821342277576 15.999 *16 O 0.70954188745721 0.12401409096687 0.97088177631562 15.999 17 O 0.22833126846694 0.30073450205203 0.69455307433179 15.999 18 O 0.28586279037320 0.42742909577880 0.36178657722424 15.999 19 O 0.71413720962680 0.57257090422120 0.63821342277576 15.999 20 O 0.79045811254279 0.37598590903313 0.47088177631562 15.999 21 O 0.70954188745721 0.87598590903313 0.47088177631562 15.999 22 O 0.20954188745721 0.62401409096687 0.52911822368438 15.999 23 O 0.28586279037320 0.57257090422120 0.86178657722424 15.999 24 O 0.71413720962680 0.42742909577880 0.13821342277576 15.999 25 O 0.29045811254279 0.12401409096687 0.52911822368438 15.999 26 O 0.29045811254279 0.87598590903313 0.02911822368438 15.999 27 O 0.77166873153306 0.69926549794797 0.30544692566821 15.999 28 O 0.21413720962680 0.07257090422120 0.86178657722424 15.999 29 O 0.78586279037320 0.07257090422120 0.63821342277576 15.999 30 O 0.27166873153306 0.80073450205203 0.69455307433179 15.999 31 O 0.72833126846694 0.19926549794797 0.30544692566821 15.999 32 O 0.77166873153306 0.30073450205203 0.80544692566821 15.999 33 O 0.72833126846694 0.80073450205203 0.80544692566821 15.999 34 O 0.20954188745721 0.37598590903313 0.02911822368438 15.999 35 O 0.79045811254279 0.62401409096687 0.97088177631562 15.999 36 O 0.22833126846694 0.69926549794797 0.19455307433179 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.729935919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.777302829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.965037189999999 Atomic positions (fractional): *1 Sn 0.99715458070314 0.34724173765263 0.91597983087015 118.710 > 1 2 Sn 0.50284541929686 0.15275826234737 0.41597983087015 118.710 > 2 3 Sn 0.00284541929686 0.34724173765263 0.58402016912985 118.710 > 3 *4 Sn 0.00000000000000 0.02790954707302 0.75000000000000 118.710 > 4 5 Sn 0.99715458070314 0.65275826234737 0.41597983087015 118.710 > 5 6 Sn 0.49715458070314 0.84724173765263 0.58402016912985 118.710 > 6 7 Sn 0.49715458070314 0.15275826234737 0.08402016912985 118.710 > 7 8 Sn 0.50000000000000 0.47209045292698 0.25000000000000 118.710 > 8 9 Sn 0.50284541929686 0.84724173765263 0.91597983087015 118.710 > 9 10 Sn 0.50000000000000 0.52790954707302 0.75000000000000 118.710 > 10 11 Sn 0.00284541929686 0.65275826234737 0.08402016912985 118.710 > 11 12 Sn 0.00000000000000 0.97209045292698 0.25000000000000 118.710 > 12 *13 O 0.21413720962680 0.92742909577880 0.36178657722424 15.999 > 13 *14 O 0.27166873153306 0.19926549794797 0.19455307433179 15.999 > 14 15 O 0.78586279037320 0.92742909577880 0.13821342277576 15.999 > 15 *16 O 0.70954188745721 0.12401409096687 0.97088177631562 15.999 > 16 17 O 0.22833126846694 0.30073450205203 0.69455307433179 15.999 > 17 18 O 0.28586279037320 0.42742909577880 0.36178657722424 15.999 > 18 19 O 0.71413720962680 0.57257090422120 0.63821342277576 15.999 > 19 20 O 0.79045811254279 0.37598590903313 0.47088177631562 15.999 > 20 21 O 0.70954188745721 0.87598590903313 0.47088177631562 15.999 > 21 22 O 0.20954188745721 0.62401409096687 0.52911822368438 15.999 > 22 23 O 0.28586279037320 0.57257090422120 0.86178657722424 15.999 > 23 24 O 0.71413720962680 0.42742909577880 0.13821342277576 15.999 > 24 25 O 0.29045811254279 0.12401409096687 0.52911822368438 15.999 > 25 26 O 0.29045811254279 0.87598590903313 0.02911822368438 15.999 > 26 27 O 0.77166873153306 0.69926549794797 0.30544692566821 15.999 > 27 28 O 0.21413720962680 0.07257090422120 0.86178657722424 15.999 > 28 29 O 0.78586279037320 0.07257090422120 0.63821342277576 15.999 > 29 30 O 0.27166873153306 0.80073450205203 0.69455307433179 15.999 > 30 31 O 0.72833126846694 0.19926549794797 0.30544692566821 15.999 > 31 32 O 0.77166873153306 0.30073450205203 0.80544692566821 15.999 > 32 33 O 0.72833126846694 0.80073450205203 0.80544692566821 15.999 > 33 34 O 0.20954188745721 0.37598590903313 0.02911822368438 15.999 > 34 35 O 0.79045811254279 0.62401409096687 0.97088177631562 15.999 > 35 36 O 0.22833126846694 0.69926549794797 0.19455307433179 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.459871839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.554605659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.965037189999999 Atomic positions (fractional): *1 Sn 0.49857729035157 0.17362086882632 0.91597983087015 118.710 > 1 2 Sn 0.99857729035157 0.17362086882632 0.91597983087015 118.710 > 1 3 Sn 0.49857729035157 0.67362086882632 0.91597983087015 118.710 > 1 4 Sn 0.99857729035157 0.67362086882632 0.91597983087015 118.710 > 1 5 Sn 0.25142270964843 0.07637913117368 0.41597983087015 118.710 > 2 6 Sn 0.75142270964843 0.07637913117368 0.41597983087015 118.710 > 2 7 Sn 0.25142270964843 0.57637913117368 0.41597983087015 118.710 > 2 8 Sn 0.75142270964843 0.57637913117368 0.41597983087015 118.710 > 2 9 Sn 0.00142270964843 0.17362086882632 0.58402016912985 118.710 > 3 10 Sn 0.50142270964843 0.17362086882632 0.58402016912985 118.710 > 3 11 Sn 0.00142270964843 0.67362086882632 0.58402016912985 118.710 > 3 12 Sn 0.50142270964843 0.67362086882632 0.58402016912985 118.710 > 3 *13 Sn 0.00000000000000 0.01395477353651 0.75000000000000 118.710 > 4 14 Sn 0.50000000000000 0.01395477353651 0.75000000000000 118.710 > 4 15 Sn 0.00000000000000 0.51395477353651 0.75000000000000 118.710 > 4 16 Sn 0.50000000000000 0.51395477353651 0.75000000000000 118.710 > 4 17 Sn 0.49857729035157 0.32637913117368 0.41597983087015 118.710 > 5 18 Sn 0.99857729035157 0.32637913117368 0.41597983087015 118.710 > 5 19 Sn 0.49857729035157 0.82637913117368 0.41597983087015 118.710 > 5 20 Sn 0.99857729035157 0.82637913117368 0.41597983087015 118.710 > 5 21 Sn 0.24857729035157 0.42362086882632 0.58402016912985 118.710 > 6 22 Sn 0.74857729035157 0.42362086882632 0.58402016912985 118.710 > 6 23 Sn 0.24857729035157 0.92362086882632 0.58402016912985 118.710 > 6 24 Sn 0.74857729035157 0.92362086882632 0.58402016912985 118.710 > 6 25 Sn 0.24857729035157 0.07637913117368 0.08402016912985 118.710 > 7 26 Sn 0.74857729035157 0.07637913117368 0.08402016912985 118.710 > 7 27 Sn 0.24857729035157 0.57637913117368 0.08402016912985 118.710 > 7 28 Sn 0.74857729035157 0.57637913117368 0.08402016912985 118.710 > 7 29 Sn 0.25000000000000 0.23604522646349 0.25000000000000 118.710 > 8 30 Sn 0.75000000000000 0.23604522646349 0.25000000000000 118.710 > 8 31 Sn 0.25000000000000 0.73604522646349 0.25000000000000 118.710 > 8 32 Sn 0.75000000000000 0.73604522646349 0.25000000000000 118.710 > 8 33 Sn 0.25142270964843 0.42362086882632 0.91597983087015 118.710 > 9 34 Sn 0.75142270964843 0.42362086882632 0.91597983087015 118.710 > 9 35 Sn 0.25142270964843 0.92362086882632 0.91597983087015 118.710 > 9 36 Sn 0.75142270964843 0.92362086882632 0.91597983087015 118.710 > 9 37 Sn 0.25000000000000 0.26395477353651 0.75000000000000 118.710 > 10 38 Sn 0.75000000000000 0.26395477353651 0.75000000000000 118.710 > 10 39 Sn 0.25000000000000 0.76395477353651 0.75000000000000 118.710 > 10 40 Sn 0.75000000000000 0.76395477353651 0.75000000000000 118.710 > 10 41 Sn 0.00142270964843 0.32637913117368 0.08402016912985 118.710 > 11 42 Sn 0.50142270964843 0.32637913117368 0.08402016912985 118.710 > 11 43 Sn 0.00142270964843 0.82637913117368 0.08402016912985 118.710 > 11 44 Sn 0.50142270964843 0.82637913117368 0.08402016912985 118.710 > 11 45 Sn 0.00000000000000 0.48604522646349 0.25000000000000 118.710 > 12 46 Sn 0.50000000000000 0.48604522646349 0.25000000000000 118.710 > 12 47 Sn 0.00000000000000 0.98604522646349 0.25000000000000 118.710 > 12 48 Sn 0.50000000000000 0.98604522646349 0.25000000000000 118.710 > 12 *49 O 0.10706860481340 0.46371454788940 0.36178657722424 15.999 > 13 50 O 0.60706860481340 0.46371454788940 0.36178657722424 15.999 > 13 51 O 0.10706860481340 0.96371454788940 0.36178657722424 15.999 > 13 52 O 0.60706860481340 0.96371454788940 0.36178657722424 15.999 > 13 *53 O 0.13583436576653 0.09963274897399 0.19455307433179 15.999 > 14 54 O 0.63583436576653 0.09963274897399 0.19455307433179 15.999 > 14 55 O 0.13583436576653 0.59963274897399 0.19455307433179 15.999 > 14 56 O 0.63583436576653 0.59963274897399 0.19455307433179 15.999 > 14 57 O 0.39293139518660 0.46371454788940 0.13821342277576 15.999 > 15 58 O 0.89293139518660 0.46371454788940 0.13821342277576 15.999 > 15 59 O 0.39293139518660 0.96371454788940 0.13821342277576 15.999 > 15 60 O 0.89293139518660 0.96371454788940 0.13821342277576 15.999 > 15 *61 O 0.35477094372861 0.06200704548343 0.97088177631562 15.999 > 16 62 O 0.85477094372861 0.06200704548343 0.97088177631562 15.999 > 16 63 O 0.35477094372861 0.56200704548343 0.97088177631562 15.999 > 16 64 O 0.85477094372861 0.56200704548343 0.97088177631562 15.999 > 16 65 O 0.11416563423347 0.15036725102601 0.69455307433179 15.999 > 17 66 O 0.61416563423347 0.15036725102601 0.69455307433179 15.999 > 17 67 O 0.11416563423347 0.65036725102601 0.69455307433179 15.999 > 17 68 O 0.61416563423347 0.65036725102601 0.69455307433179 15.999 > 17 69 O 0.14293139518660 0.21371454788940 0.36178657722424 15.999 > 18 70 O 0.64293139518660 0.21371454788940 0.36178657722424 15.999 > 18 71 O 0.14293139518660 0.71371454788940 0.36178657722424 15.999 > 18 72 O 0.64293139518660 0.71371454788940 0.36178657722424 15.999 > 18 73 O 0.35706860481340 0.28628545211060 0.63821342277576 15.999 > 19 74 O 0.85706860481340 0.28628545211060 0.63821342277576 15.999 > 19 75 O 0.35706860481340 0.78628545211060 0.63821342277576 15.999 > 19 76 O 0.85706860481340 0.78628545211060 0.63821342277576 15.999 > 19 77 O 0.39522905627139 0.18799295451657 0.47088177631562 15.999 > 20 78 O 0.89522905627139 0.18799295451657 0.47088177631562 15.999 > 20 79 O 0.39522905627139 0.68799295451657 0.47088177631562 15.999 > 20 80 O 0.89522905627139 0.68799295451657 0.47088177631562 15.999 > 20 81 O 0.35477094372861 0.43799295451657 0.47088177631562 15.999 > 21 82 O 0.85477094372861 0.43799295451657 0.47088177631562 15.999 > 21 83 O 0.35477094372861 0.93799295451657 0.47088177631562 15.999 > 21 84 O 0.85477094372861 0.93799295451657 0.47088177631562 15.999 > 21 85 O 0.10477094372861 0.31200704548343 0.52911822368438 15.999 > 22 86 O 0.60477094372861 0.31200704548343 0.52911822368438 15.999 > 22 87 O 0.10477094372861 0.81200704548343 0.52911822368438 15.999 > 22 88 O 0.60477094372861 0.81200704548343 0.52911822368438 15.999 > 22 89 O 0.14293139518660 0.28628545211060 0.86178657722424 15.999 > 23 90 O 0.64293139518660 0.28628545211060 0.86178657722424 15.999 > 23 91 O 0.14293139518660 0.78628545211060 0.86178657722424 15.999 > 23 92 O 0.64293139518660 0.78628545211060 0.86178657722424 15.999 > 23 93 O 0.35706860481340 0.21371454788940 0.13821342277576 15.999 > 24 94 O 0.85706860481340 0.21371454788940 0.13821342277576 15.999 > 24 95 O 0.35706860481340 0.71371454788940 0.13821342277576 15.999 > 24 96 O 0.85706860481340 0.71371454788940 0.13821342277576 15.999 > 24 97 O 0.14522905627139 0.06200704548343 0.52911822368438 15.999 > 25 98 O 0.64522905627139 0.06200704548343 0.52911822368438 15.999 > 25 99 O 0.14522905627139 0.56200704548343 0.52911822368438 15.999 > 25 100 O 0.64522905627139 0.56200704548343 0.52911822368438 15.999 > 25 101 O 0.14522905627139 0.43799295451657 0.02911822368438 15.999 > 26 102 O 0.64522905627139 0.43799295451657 0.02911822368438 15.999 > 26 103 O 0.14522905627139 0.93799295451657 0.02911822368438 15.999 > 26 104 O 0.64522905627139 0.93799295451657 0.02911822368438 15.999 > 26 105 O 0.38583436576653 0.34963274897399 0.30544692566821 15.999 > 27 106 O 0.88583436576653 0.34963274897399 0.30544692566821 15.999 > 27 107 O 0.38583436576653 0.84963274897399 0.30544692566821 15.999 > 27 108 O 0.88583436576653 0.84963274897399 0.30544692566821 15.999 > 27 109 O 0.10706860481340 0.03628545211060 0.86178657722424 15.999 > 28 110 O 0.60706860481340 0.03628545211060 0.86178657722424 15.999 > 28 111 O 0.10706860481340 0.53628545211060 0.86178657722424 15.999 > 28 112 O 0.60706860481340 0.53628545211060 0.86178657722424 15.999 > 28 113 O 0.39293139518660 0.03628545211060 0.63821342277576 15.999 > 29 114 O 0.89293139518660 0.03628545211060 0.63821342277576 15.999 > 29 115 O 0.39293139518660 0.53628545211060 0.63821342277576 15.999 > 29 116 O 0.89293139518660 0.53628545211060 0.63821342277576 15.999 > 29 117 O 0.13583436576653 0.40036725102601 0.69455307433179 15.999 > 30 118 O 0.63583436576653 0.40036725102601 0.69455307433179 15.999 > 30 119 O 0.13583436576653 0.90036725102601 0.69455307433179 15.999 > 30 120 O 0.63583436576653 0.90036725102601 0.69455307433179 15.999 > 30 121 O 0.36416563423347 0.09963274897399 0.30544692566821 15.999 > 31 122 O 0.86416563423347 0.09963274897399 0.30544692566821 15.999 > 31 123 O 0.36416563423347 0.59963274897399 0.30544692566821 15.999 > 31 124 O 0.86416563423347 0.59963274897399 0.30544692566821 15.999 > 31 125 O 0.38583436576653 0.15036725102601 0.80544692566821 15.999 > 32 126 O 0.88583436576653 0.15036725102601 0.80544692566821 15.999 > 32 127 O 0.38583436576653 0.65036725102601 0.80544692566821 15.999 > 32 128 O 0.88583436576653 0.65036725102601 0.80544692566821 15.999 > 32 129 O 0.36416563423347 0.40036725102601 0.80544692566821 15.999 > 33 130 O 0.86416563423347 0.40036725102601 0.80544692566821 15.999 > 33 131 O 0.36416563423347 0.90036725102601 0.80544692566821 15.999 > 33 132 O 0.86416563423347 0.90036725102601 0.80544692566821 15.999 > 33 133 O 0.10477094372861 0.18799295451657 0.02911822368438 15.999 > 34 134 O 0.60477094372861 0.18799295451657 0.02911822368438 15.999 > 34 135 O 0.10477094372861 0.68799295451657 0.02911822368438 15.999 > 34 136 O 0.60477094372861 0.68799295451657 0.02911822368438 15.999 > 34 137 O 0.39522905627139 0.31200704548343 0.97088177631562 15.999 > 35 138 O 0.89522905627139 0.31200704548343 0.97088177631562 15.999 > 35 139 O 0.39522905627139 0.81200704548343 0.97088177631562 15.999 > 35 140 O 0.89522905627139 0.81200704548343 0.97088177631562 15.999 > 35 141 O 0.11416563423347 0.34963274897399 0.19455307433179 15.999 > 36 142 O 0.61416563423347 0.34963274897399 0.19455307433179 15.999 > 36 143 O 0.11416563423347 0.84963274897399 0.19455307433179 15.999 > 36 144 O 0.61416563423347 0.84963274897399 0.19455307433179 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1084389 0.0000000 0.0000000 0.0000000 5.0874280 0.0000000 0.0000000 0.0000000 5.0967406 -------------------------- Born effective charges -------------------------- 1 Sn 4.0814222 0.5812602 -0.2910952 0.1534853 4.2570980 -0.0388007 -0.0870250 0.1626444 4.4018112 2 Sn 4.0814222 0.5812602 0.2910952 0.1534853 4.2570980 0.0388007 0.0870250 -0.1626444 4.4018112 3 Sn 4.0814222 -0.5812602 -0.2910952 -0.1534853 4.2570980 0.0388007 -0.0870250 -0.1626444 4.4018112 4 Sn 3.9764869 0.0000000 -0.3820269 0.0000000 4.2741011 0.0000000 -0.1186091 0.0000000 4.3407473 5 Sn 4.0814222 -0.5812602 -0.2910952 -0.1534853 4.2570980 0.0388007 -0.0870250 -0.1626444 4.4018112 6 Sn 4.0814222 0.5812602 0.2910952 0.1534853 4.2570980 0.0388007 0.0870250 -0.1626444 4.4018112 7 Sn 4.0814222 -0.5812602 0.2910952 -0.1534853 4.2570980 -0.0388007 0.0870250 0.1626444 4.4018112 8 Sn 3.9764869 0.0000000 0.3820269 0.0000000 4.2741011 0.0000000 0.1186091 0.0000000 4.3407473 9 Sn 4.0814222 -0.5812602 0.2910952 -0.1534853 4.2570980 -0.0388007 0.0870250 0.1626444 4.4018112 10 Sn 3.9764869 0.0000000 0.3820269 0.0000000 4.2741011 0.0000000 0.1186091 0.0000000 4.3407473 11 Sn 4.0814222 0.5812602 -0.2910952 0.1534853 4.2570980 -0.0388007 -0.0870250 0.1626444 4.4018112 12 Sn 3.9764869 0.0000000 -0.3820269 0.0000000 4.2741011 0.0000000 -0.1186091 0.0000000 4.3407473 13 O -2.0501710 -0.6502773 -0.4026667 -0.6688089 -2.1547524 0.0620044 -0.4324040 0.0820693 -2.1847038 14 O -2.0192559 -0.5553805 0.4718226 -0.6735670 -2.1227918 0.0516329 0.4213959 -0.1103062 -2.1828026 15 O -2.0501710 0.6502773 -0.4026667 0.6688089 -2.1547524 -0.0620044 -0.4324040 -0.0820693 -2.1847038 16 O -2.0002387 -0.5804069 0.4027286 -0.6558716 -2.1166044 -0.0077984 0.4559803 -0.0677586 -2.2046784 17 O -2.0192559 -0.5553805 -0.4718226 -0.6735670 -2.1227918 -0.0516329 -0.4213959 0.1103062 -2.1828026 18 O -2.0501710 0.6502773 0.4026667 0.6688089 -2.1547524 0.0620044 0.4324040 0.0820693 -2.1847038 19 O -2.0501710 0.6502773 0.4026667 0.6688089 -2.1547524 0.0620044 0.4324040 0.0820693 -2.1847038 20 O -2.0002387 -0.5804069 -0.4027286 -0.6558716 -2.1166044 0.0077984 -0.4559803 0.0677586 -2.2046784 21 O -2.0002387 0.5804069 0.4027286 0.6558716 -2.1166044 0.0077984 0.4559803 0.0677586 -2.2046784 22 O -2.0002387 -0.5804069 -0.4027286 -0.6558716 -2.1166044 0.0077984 -0.4559803 0.0677586 -2.2046784 23 O -2.0501710 -0.6502773 0.4026667 -0.6688089 -2.1547524 -0.0620044 0.4324040 -0.0820693 -2.1847038 24 O -2.0501710 -0.6502773 0.4026667 -0.6688089 -2.1547524 -0.0620044 0.4324040 -0.0820693 -2.1847038 25 O -2.0002387 0.5804069 0.4027286 0.6558716 -2.1166044 0.0077984 0.4559803 0.0677586 -2.2046784 26 O -2.0002387 -0.5804069 0.4027286 -0.6558716 -2.1166044 -0.0077984 0.4559803 -0.0677586 -2.2046784 27 O -2.0192559 -0.5553805 -0.4718226 -0.6735670 -2.1227918 -0.0516329 -0.4213959 0.1103062 -2.1828026 28 O -2.0501710 0.6502773 -0.4026667 0.6688089 -2.1547524 -0.0620044 -0.4324040 -0.0820693 -2.1847038 29 O -2.0501710 -0.6502773 -0.4026667 -0.6688089 -2.1547524 0.0620044 -0.4324040 0.0820693 -2.1847038 30 O -2.0192559 0.5553805 0.4718226 0.6735670 -2.1227918 -0.0516329 0.4213959 0.1103062 -2.1828026 31 O -2.0192559 0.5553805 0.4718226 0.6735670 -2.1227918 -0.0516329 0.4213959 0.1103062 -2.1828026 32 O -2.0192559 0.5553805 -0.4718226 0.6735670 -2.1227918 0.0516329 -0.4213959 -0.1103062 -2.1828026 33 O -2.0192559 -0.5553805 0.4718226 -0.6735670 -2.1227918 0.0516329 0.4213959 -0.1103062 -2.1828026 34 O -2.0002387 0.5804069 -0.4027286 0.6558716 -2.1166044 -0.0077984 -0.4559803 -0.0677586 -2.2046784 35 O -2.0002387 0.5804069 -0.4027286 0.6558716 -2.1166044 -0.0077984 -0.4559803 -0.0677586 -2.2046784 36 O -2.0192559 0.5553805 -0.4718226 0.6735670 -2.1227918 0.0516329 -0.4213959 -0.1103062 -2.1828026 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 143 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 9), data: (652, 19) @ (19, 9) |-- (152, 143), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.156 Solver_block: 200 / 560 - Time: 1.074 Solver_block: 300 / 560 - Time: 1.070 Solver_block: 400 / 560 - Time: 1.107 Solver_block: 500 / 560 - Time: 1.095 Solver_block: 560 / 560 - Time: 0.713 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.344 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3053 Number of blocks in projector: 3053 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 143 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 644 Use submatrix version of eigh solver. (1) Block: 500 / 644 (2) Block: 250 / 500 (2) 242 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 492 eigenvectors found. (1) Block: 644 / 644 (1) 136 eigenvectors found. (1) Complementary block size: 16 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 371 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 371 Use standard eigh solver. Tree of FC basis block matrices: - (3053, 3012), data: False |-- (371, 366), data: True |-- (371, 366), data: True |-- (371, 366), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (644, 636), data: False |-- (644, 8), data: (644, 16) @ (16, 8) |-- (144, 136), data: True |-- (500, 492), data: False |-- (500, 8), data: (500, 16) @ (16, 8) |-- (250, 242), data: True |-- (250, 242), data: True |-- (652, 642), data: False |-- (652, 9), data: (652, 19) @ (19, 9) |-- (152, 143), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 12:04:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:04:27]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.729935919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.777302829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.965037189999999 Atomic positions (fractional): 1 Sn 0.99715458070314 0.34724173765263 0.91597983087015 118.710 2 Sn 0.50284541929686 0.15275826234737 0.41597983087015 118.710 3 Sn 0.00284541929686 0.34724173765263 0.58402016912985 118.710 4 Sn 0.00000000000000 0.02790954707302 0.75000000000000 118.710 5 Sn 0.99715458070314 0.65275826234737 0.41597983087015 118.710 6 Sn 0.49715458070314 0.84724173765263 0.58402016912985 118.710 7 Sn 0.49715458070314 0.15275826234737 0.08402016912985 118.710 8 Sn 0.50000000000000 0.47209045292698 0.25000000000000 118.710 9 Sn 0.50284541929686 0.84724173765263 0.91597983087015 118.710 10 Sn 0.50000000000000 0.52790954707302 0.75000000000000 118.710 11 Sn 0.00284541929686 0.65275826234737 0.08402016912985 118.710 12 Sn 0.00000000000000 0.97209045292698 0.25000000000000 118.710 13 O 0.21413720962680 0.92742909577880 0.36178657722424 15.999 14 O 0.27166873153306 0.19926549794797 0.19455307433179 15.999 15 O 0.78586279037320 0.92742909577880 0.13821342277576 15.999 16 O 0.70954188745721 0.12401409096687 0.97088177631562 15.999 17 O 0.22833126846694 0.30073450205203 0.69455307433179 15.999 18 O 0.28586279037320 0.42742909577880 0.36178657722424 15.999 19 O 0.71413720962680 0.57257090422120 0.63821342277576 15.999 20 O 0.79045811254279 0.37598590903313 0.47088177631562 15.999 21 O 0.70954188745721 0.87598590903313 0.47088177631562 15.999 22 O 0.20954188745721 0.62401409096687 0.52911822368438 15.999 23 O 0.28586279037320 0.57257090422120 0.86178657722424 15.999 24 O 0.71413720962680 0.42742909577880 0.13821342277576 15.999 25 O 0.29045811254279 0.12401409096687 0.52911822368438 15.999 26 O 0.29045811254279 0.87598590903313 0.02911822368438 15.999 27 O 0.77166873153306 0.69926549794797 0.30544692566821 15.999 28 O 0.21413720962680 0.07257090422120 0.86178657722424 15.999 29 O 0.78586279037320 0.07257090422120 0.63821342277576 15.999 30 O 0.27166873153306 0.80073450205203 0.69455307433179 15.999 31 O 0.72833126846694 0.19926549794797 0.30544692566821 15.999 32 O 0.77166873153306 0.30073450205203 0.80544692566821 15.999 33 O 0.72833126846694 0.80073450205203 0.80544692566821 15.999 34 O 0.20954188745721 0.37598590903313 0.02911822368438 15.999 35 O 0.79045811254279 0.62401409096687 0.97088177631562 15.999 36 O 0.22833126846694 0.69926549794797 0.19455307433179 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.459871839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.554605659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.965037189999999 Atomic positions (fractional): 1 Sn 0.49857729035157 0.17362086882632 0.91597983087015 118.710 > 1 2 Sn 0.99857729035157 0.17362086882632 0.91597983087015 118.710 > 1 3 Sn 0.49857729035157 0.67362086882632 0.91597983087015 118.710 > 1 4 Sn 0.99857729035157 0.67362086882632 0.91597983087015 118.710 > 1 5 Sn 0.25142270964843 0.07637913117368 0.41597983087015 118.710 > 5 6 Sn 0.75142270964843 0.07637913117368 0.41597983087015 118.710 > 5 7 Sn 0.25142270964843 0.57637913117368 0.41597983087015 118.710 > 5 8 Sn 0.75142270964843 0.57637913117368 0.41597983087015 118.710 > 5 9 Sn 0.00142270964843 0.17362086882632 0.58402016912985 118.710 > 9 10 Sn 0.50142270964843 0.17362086882632 0.58402016912985 118.710 > 9 11 Sn 0.00142270964843 0.67362086882632 0.58402016912985 118.710 > 9 12 Sn 0.50142270964843 0.67362086882632 0.58402016912985 118.710 > 9 13 Sn 0.00000000000000 0.01395477353651 0.75000000000000 118.710 > 13 14 Sn 0.50000000000000 0.01395477353651 0.75000000000000 118.710 > 13 15 Sn 0.00000000000000 0.51395477353651 0.75000000000000 118.710 > 13 16 Sn 0.50000000000000 0.51395477353651 0.75000000000000 118.710 > 13 17 Sn 0.49857729035157 0.32637913117368 0.41597983087015 118.710 > 17 18 Sn 0.99857729035157 0.32637913117368 0.41597983087015 118.710 > 17 19 Sn 0.49857729035157 0.82637913117368 0.41597983087015 118.710 > 17 20 Sn 0.99857729035157 0.82637913117368 0.41597983087015 118.710 > 17 21 Sn 0.24857729035157 0.42362086882632 0.58402016912985 118.710 > 21 22 Sn 0.74857729035157 0.42362086882632 0.58402016912985 118.710 > 21 23 Sn 0.24857729035157 0.92362086882632 0.58402016912985 118.710 > 21 24 Sn 0.74857729035157 0.92362086882632 0.58402016912985 118.710 > 21 25 Sn 0.24857729035157 0.07637913117368 0.08402016912985 118.710 > 25 26 Sn 0.74857729035157 0.07637913117368 0.08402016912985 118.710 > 25 27 Sn 0.24857729035157 0.57637913117368 0.08402016912985 118.710 > 25 28 Sn 0.74857729035157 0.57637913117368 0.08402016912985 118.710 > 25 29 Sn 0.25000000000000 0.23604522646349 0.25000000000000 118.710 > 29 30 Sn 0.75000000000000 0.23604522646349 0.25000000000000 118.710 > 29 31 Sn 0.25000000000000 0.73604522646349 0.25000000000000 118.710 > 29 32 Sn 0.75000000000000 0.73604522646349 0.25000000000000 118.710 > 29 33 Sn 0.25142270964843 0.42362086882632 0.91597983087015 118.710 > 33 34 Sn 0.75142270964843 0.42362086882632 0.91597983087015 118.710 > 33 35 Sn 0.25142270964843 0.92362086882632 0.91597983087015 118.710 > 33 36 Sn 0.75142270964843 0.92362086882632 0.91597983087015 118.710 > 33 37 Sn 0.25000000000000 0.26395477353651 0.75000000000000 118.710 > 37 38 Sn 0.75000000000000 0.26395477353651 0.75000000000000 118.710 > 37 39 Sn 0.25000000000000 0.76395477353651 0.75000000000000 118.710 > 37 40 Sn 0.75000000000000 0.76395477353651 0.75000000000000 118.710 > 37 41 Sn 0.00142270964843 0.32637913117368 0.08402016912985 118.710 > 41 42 Sn 0.50142270964843 0.32637913117368 0.08402016912985 118.710 > 41 43 Sn 0.00142270964843 0.82637913117368 0.08402016912985 118.710 > 41 44 Sn 0.50142270964843 0.82637913117368 0.08402016912985 118.710 > 41 45 Sn 0.00000000000000 0.48604522646349 0.25000000000000 118.710 > 45 46 Sn 0.50000000000000 0.48604522646349 0.25000000000000 118.710 > 45 47 Sn 0.00000000000000 0.98604522646349 0.25000000000000 118.710 > 45 48 Sn 0.50000000000000 0.98604522646349 0.25000000000000 118.710 > 45 49 O 0.10706860481340 0.46371454788940 0.36178657722424 15.999 > 49 50 O 0.60706860481340 0.46371454788940 0.36178657722424 15.999 > 49 51 O 0.10706860481340 0.96371454788940 0.36178657722424 15.999 > 49 52 O 0.60706860481340 0.96371454788940 0.36178657722424 15.999 > 49 53 O 0.13583436576653 0.09963274897399 0.19455307433179 15.999 > 53 54 O 0.63583436576653 0.09963274897399 0.19455307433179 15.999 > 53 55 O 0.13583436576653 0.59963274897399 0.19455307433179 15.999 > 53 56 O 0.63583436576653 0.59963274897399 0.19455307433179 15.999 > 53 57 O 0.39293139518660 0.46371454788940 0.13821342277576 15.999 > 57 58 O 0.89293139518660 0.46371454788940 0.13821342277576 15.999 > 57 59 O 0.39293139518660 0.96371454788940 0.13821342277576 15.999 > 57 60 O 0.89293139518660 0.96371454788940 0.13821342277576 15.999 > 57 61 O 0.35477094372861 0.06200704548343 0.97088177631562 15.999 > 61 62 O 0.85477094372861 0.06200704548343 0.97088177631562 15.999 > 61 63 O 0.35477094372861 0.56200704548343 0.97088177631562 15.999 > 61 64 O 0.85477094372861 0.56200704548343 0.97088177631562 15.999 > 61 65 O 0.11416563423347 0.15036725102601 0.69455307433179 15.999 > 65 66 O 0.61416563423347 0.15036725102601 0.69455307433179 15.999 > 65 67 O 0.11416563423347 0.65036725102601 0.69455307433179 15.999 > 65 68 O 0.61416563423347 0.65036725102601 0.69455307433179 15.999 > 65 69 O 0.14293139518660 0.21371454788940 0.36178657722424 15.999 > 69 70 O 0.64293139518660 0.21371454788940 0.36178657722424 15.999 > 69 71 O 0.14293139518660 0.71371454788940 0.36178657722424 15.999 > 69 72 O 0.64293139518660 0.71371454788940 0.36178657722424 15.999 > 69 73 O 0.35706860481340 0.28628545211060 0.63821342277576 15.999 > 73 74 O 0.85706860481340 0.28628545211060 0.63821342277576 15.999 > 73 75 O 0.35706860481340 0.78628545211060 0.63821342277576 15.999 > 73 76 O 0.85706860481340 0.78628545211060 0.63821342277576 15.999 > 73 77 O 0.39522905627139 0.18799295451657 0.47088177631562 15.999 > 77 78 O 0.89522905627139 0.18799295451657 0.47088177631562 15.999 > 77 79 O 0.39522905627139 0.68799295451657 0.47088177631562 15.999 > 77 80 O 0.89522905627139 0.68799295451657 0.47088177631562 15.999 > 77 81 O 0.35477094372861 0.43799295451657 0.47088177631562 15.999 > 81 82 O 0.85477094372861 0.43799295451657 0.47088177631562 15.999 > 81 83 O 0.35477094372861 0.93799295451657 0.47088177631562 15.999 > 81 84 O 0.85477094372861 0.93799295451657 0.47088177631562 15.999 > 81 85 O 0.10477094372861 0.31200704548343 0.52911822368438 15.999 > 85 86 O 0.60477094372861 0.31200704548343 0.52911822368438 15.999 > 85 87 O 0.10477094372861 0.81200704548343 0.52911822368438 15.999 > 85 88 O 0.60477094372861 0.81200704548343 0.52911822368438 15.999 > 85 89 O 0.14293139518660 0.28628545211060 0.86178657722424 15.999 > 89 90 O 0.64293139518660 0.28628545211060 0.86178657722424 15.999 > 89 91 O 0.14293139518660 0.78628545211060 0.86178657722424 15.999 > 89 92 O 0.64293139518660 0.78628545211060 0.86178657722424 15.999 > 89 93 O 0.35706860481340 0.21371454788940 0.13821342277576 15.999 > 93 94 O 0.85706860481340 0.21371454788940 0.13821342277576 15.999 > 93 95 O 0.35706860481340 0.71371454788940 0.13821342277576 15.999 > 93 96 O 0.85706860481340 0.71371454788940 0.13821342277576 15.999 > 93 97 O 0.14522905627139 0.06200704548343 0.52911822368438 15.999 > 97 98 O 0.64522905627139 0.06200704548343 0.52911822368438 15.999 > 97 99 O 0.14522905627139 0.56200704548343 0.52911822368438 15.999 > 97 100 O 0.64522905627139 0.56200704548343 0.52911822368438 15.999 > 97 101 O 0.14522905627139 0.43799295451657 0.02911822368438 15.999 > 101 102 O 0.64522905627139 0.43799295451657 0.02911822368438 15.999 > 101 103 O 0.14522905627139 0.93799295451657 0.02911822368438 15.999 > 101 104 O 0.64522905627139 0.93799295451657 0.02911822368438 15.999 > 101 105 O 0.38583436576653 0.34963274897399 0.30544692566821 15.999 > 105 106 O 0.88583436576653 0.34963274897399 0.30544692566821 15.999 > 105 107 O 0.38583436576653 0.84963274897399 0.30544692566821 15.999 > 105 108 O 0.88583436576653 0.84963274897399 0.30544692566821 15.999 > 105 109 O 0.10706860481340 0.03628545211060 0.86178657722424 15.999 > 109 110 O 0.60706860481340 0.03628545211060 0.86178657722424 15.999 > 109 111 O 0.10706860481340 0.53628545211060 0.86178657722424 15.999 > 109 112 O 0.60706860481340 0.53628545211060 0.86178657722424 15.999 > 109 113 O 0.39293139518660 0.03628545211060 0.63821342277576 15.999 > 113 114 O 0.89293139518660 0.03628545211060 0.63821342277576 15.999 > 113 115 O 0.39293139518660 0.53628545211060 0.63821342277576 15.999 > 113 116 O 0.89293139518660 0.53628545211060 0.63821342277576 15.999 > 113 117 O 0.13583436576653 0.40036725102601 0.69455307433179 15.999 > 117 118 O 0.63583436576653 0.40036725102601 0.69455307433179 15.999 > 117 119 O 0.13583436576653 0.90036725102601 0.69455307433179 15.999 > 117 120 O 0.63583436576653 0.90036725102601 0.69455307433179 15.999 > 117 121 O 0.36416563423347 0.09963274897399 0.30544692566821 15.999 > 121 122 O 0.86416563423347 0.09963274897399 0.30544692566821 15.999 > 121 123 O 0.36416563423347 0.59963274897399 0.30544692566821 15.999 > 121 124 O 0.86416563423347 0.59963274897399 0.30544692566821 15.999 > 121 125 O 0.38583436576653 0.15036725102601 0.80544692566821 15.999 > 125 126 O 0.88583436576653 0.15036725102601 0.80544692566821 15.999 > 125 127 O 0.38583436576653 0.65036725102601 0.80544692566821 15.999 > 125 128 O 0.88583436576653 0.65036725102601 0.80544692566821 15.999 > 125 129 O 0.36416563423347 0.40036725102601 0.80544692566821 15.999 > 129 130 O 0.86416563423347 0.40036725102601 0.80544692566821 15.999 > 129 131 O 0.36416563423347 0.90036725102601 0.80544692566821 15.999 > 129 132 O 0.86416563423347 0.90036725102601 0.80544692566821 15.999 > 129 133 O 0.10477094372861 0.18799295451657 0.02911822368438 15.999 > 133 134 O 0.60477094372861 0.18799295451657 0.02911822368438 15.999 > 133 135 O 0.10477094372861 0.68799295451657 0.02911822368438 15.999 > 133 136 O 0.60477094372861 0.68799295451657 0.02911822368438 15.999 > 133 137 O 0.39522905627139 0.31200704548343 0.97088177631562 15.999 > 137 138 O 0.89522905627139 0.31200704548343 0.97088177631562 15.999 > 137 139 O 0.39522905627139 0.81200704548343 0.97088177631562 15.999 > 137 140 O 0.89522905627139 0.81200704548343 0.97088177631562 15.999 > 137 141 O 0.11416563423347 0.34963274897399 0.19455307433179 15.999 > 141 142 O 0.61416563423347 0.34963274897399 0.19455307433179 15.999 > 141 143 O 0.11416563423347 0.84963274897399 0.19455307433179 15.999 > 141 144 O 0.61416563423347 0.84963274897399 0.19455307433179 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1084389 0.0000000 0.0000000 0.0000000 5.0874280 0.0000000 0.0000000 0.0000000 5.0967406 -------------------------- Born effective charges -------------------------- 1 Sn 4.0814222 0.5812602 -0.2910952 0.1534853 4.2570980 -0.0388007 -0.0870250 0.1626444 4.4018112 2 Sn 4.0814222 0.5812602 0.2910952 0.1534853 4.2570980 0.0388007 0.0870250 -0.1626444 4.4018112 3 Sn 4.0814222 -0.5812602 -0.2910952 -0.1534853 4.2570980 0.0388007 -0.0870250 -0.1626444 4.4018112 4 Sn 3.9764869 0.0000000 -0.3820269 0.0000000 4.2741011 0.0000000 -0.1186091 0.0000000 4.3407473 5 Sn 4.0814222 -0.5812602 -0.2910952 -0.1534853 4.2570980 0.0388007 -0.0870250 -0.1626444 4.4018112 6 Sn 4.0814222 0.5812602 0.2910952 0.1534853 4.2570980 0.0388007 0.0870250 -0.1626444 4.4018112 7 Sn 4.0814222 -0.5812602 0.2910952 -0.1534853 4.2570980 -0.0388007 0.0870250 0.1626444 4.4018112 8 Sn 3.9764869 0.0000000 0.3820269 0.0000000 4.2741011 0.0000000 0.1186091 0.0000000 4.3407473 9 Sn 4.0814222 -0.5812602 0.2910952 -0.1534853 4.2570980 -0.0388007 0.0870250 0.1626444 4.4018112 10 Sn 3.9764869 0.0000000 0.3820269 0.0000000 4.2741011 0.0000000 0.1186091 0.0000000 4.3407473 11 Sn 4.0814222 0.5812602 -0.2910952 0.1534853 4.2570980 -0.0388007 -0.0870250 0.1626444 4.4018112 12 Sn 3.9764869 0.0000000 -0.3820269 0.0000000 4.2741011 0.0000000 -0.1186091 0.0000000 4.3407473 13 O -2.0501710 -0.6502773 -0.4026667 -0.6688089 -2.1547524 0.0620044 -0.4324040 0.0820693 -2.1847038 14 O -2.0192559 -0.5553805 0.4718226 -0.6735670 -2.1227918 0.0516329 0.4213959 -0.1103062 -2.1828026 15 O -2.0501710 0.6502773 -0.4026667 0.6688089 -2.1547524 -0.0620044 -0.4324040 -0.0820693 -2.1847038 16 O -2.0002387 -0.5804069 0.4027286 -0.6558716 -2.1166044 -0.0077984 0.4559803 -0.0677586 -2.2046784 17 O -2.0192559 -0.5553805 -0.4718226 -0.6735670 -2.1227918 -0.0516329 -0.4213959 0.1103062 -2.1828026 18 O -2.0501710 0.6502773 0.4026667 0.6688089 -2.1547524 0.0620044 0.4324040 0.0820693 -2.1847038 19 O -2.0501710 0.6502773 0.4026667 0.6688089 -2.1547524 0.0620044 0.4324040 0.0820693 -2.1847038 20 O -2.0002387 -0.5804069 -0.4027286 -0.6558716 -2.1166044 0.0077984 -0.4559803 0.0677586 -2.2046784 21 O -2.0002387 0.5804069 0.4027286 0.6558716 -2.1166044 0.0077984 0.4559803 0.0677586 -2.2046784 22 O -2.0002387 -0.5804069 -0.4027286 -0.6558716 -2.1166044 0.0077984 -0.4559803 0.0677586 -2.2046784 23 O -2.0501710 -0.6502773 0.4026667 -0.6688089 -2.1547524 -0.0620044 0.4324040 -0.0820693 -2.1847038 24 O -2.0501710 -0.6502773 0.4026667 -0.6688089 -2.1547524 -0.0620044 0.4324040 -0.0820693 -2.1847038 25 O -2.0002387 0.5804069 0.4027286 0.6558716 -2.1166044 0.0077984 0.4559803 0.0677586 -2.2046784 26 O -2.0002387 -0.5804069 0.4027286 -0.6558716 -2.1166044 -0.0077984 0.4559803 -0.0677586 -2.2046784 27 O -2.0192559 -0.5553805 -0.4718226 -0.6735670 -2.1227918 -0.0516329 -0.4213959 0.1103062 -2.1828026 28 O -2.0501710 0.6502773 -0.4026667 0.6688089 -2.1547524 -0.0620044 -0.4324040 -0.0820693 -2.1847038 29 O -2.0501710 -0.6502773 -0.4026667 -0.6688089 -2.1547524 0.0620044 -0.4324040 0.0820693 -2.1847038 30 O -2.0192559 0.5553805 0.4718226 0.6735670 -2.1227918 -0.0516329 0.4213959 0.1103062 -2.1828026 31 O -2.0192559 0.5553805 0.4718226 0.6735670 -2.1227918 -0.0516329 0.4213959 0.1103062 -2.1828026 32 O -2.0192559 0.5553805 -0.4718226 0.6735670 -2.1227918 0.0516329 -0.4213959 -0.1103062 -2.1828026 33 O -2.0192559 -0.5553805 0.4718226 -0.6735670 -2.1227918 0.0516329 0.4213959 -0.1103062 -2.1828026 34 O -2.0002387 0.5804069 -0.4027286 0.6558716 -2.1166044 -0.0077984 -0.4559803 -0.0677586 -2.2046784 35 O -2.0002387 0.5804069 -0.4027286 0.6558716 -2.1166044 -0.0077984 -0.4559803 -0.0677586 -2.2046784 36 O -2.0192559 0.5553805 -0.4718226 0.6735670 -2.1227918 0.0516329 -0.4213959 -0.1103062 -2.1828026 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:05:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:05:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.729935919999999 0.000000000000000 0.000000000000000 b 0.000000000000000 5.777302829999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.965037189999999 Atomic positions (fractional): 1 Sn 0.99715458070314 0.34724173765263 0.91597983087015 118.710 2 Sn 0.50284541929686 0.15275826234737 0.41597983087015 118.710 3 Sn 0.00284541929686 0.34724173765263 0.58402016912985 118.710 4 Sn 0.00000000000000 0.02790954707302 0.75000000000000 118.710 5 Sn 0.99715458070314 0.65275826234737 0.41597983087015 118.710 6 Sn 0.49715458070314 0.84724173765263 0.58402016912985 118.710 7 Sn 0.49715458070314 0.15275826234737 0.08402016912985 118.710 8 Sn 0.50000000000000 0.47209045292698 0.25000000000000 118.710 9 Sn 0.50284541929686 0.84724173765263 0.91597983087015 118.710 10 Sn 0.50000000000000 0.52790954707302 0.75000000000000 118.710 11 Sn 0.00284541929686 0.65275826234737 0.08402016912985 118.710 12 Sn 0.00000000000000 0.97209045292698 0.25000000000000 118.710 13 O 0.21413720962680 0.92742909577880 0.36178657722424 15.999 14 O 0.27166873153306 0.19926549794797 0.19455307433179 15.999 15 O 0.78586279037320 0.92742909577880 0.13821342277576 15.999 16 O 0.70954188745721 0.12401409096687 0.97088177631562 15.999 17 O 0.22833126846694 0.30073450205203 0.69455307433179 15.999 18 O 0.28586279037320 0.42742909577880 0.36178657722424 15.999 19 O 0.71413720962680 0.57257090422120 0.63821342277576 15.999 20 O 0.79045811254279 0.37598590903313 0.47088177631562 15.999 21 O 0.70954188745721 0.87598590903313 0.47088177631562 15.999 22 O 0.20954188745721 0.62401409096687 0.52911822368438 15.999 23 O 0.28586279037320 0.57257090422120 0.86178657722424 15.999 24 O 0.71413720962680 0.42742909577880 0.13821342277576 15.999 25 O 0.29045811254279 0.12401409096687 0.52911822368438 15.999 26 O 0.29045811254279 0.87598590903313 0.02911822368438 15.999 27 O 0.77166873153306 0.69926549794797 0.30544692566821 15.999 28 O 0.21413720962680 0.07257090422120 0.86178657722424 15.999 29 O 0.78586279037320 0.07257090422120 0.63821342277576 15.999 30 O 0.27166873153306 0.80073450205203 0.69455307433179 15.999 31 O 0.72833126846694 0.19926549794797 0.30544692566821 15.999 32 O 0.77166873153306 0.30073450205203 0.80544692566821 15.999 33 O 0.72833126846694 0.80073450205203 0.80544692566821 15.999 34 O 0.20954188745721 0.37598590903313 0.02911822368438 15.999 35 O 0.79045811254279 0.62401409096687 0.97088177631562 15.999 36 O 0.22833126846694 0.69926549794797 0.19455307433179 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.459871839999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.554605659999998 0.000000000000000 c 0.000000000000000 0.000000000000000 15.965037189999999 Atomic positions (fractional): 1 Sn 0.49857729035157 0.17362086882632 0.91597983087015 118.710 > 1 2 Sn 0.99857729035157 0.17362086882632 0.91597983087015 118.710 > 1 3 Sn 0.49857729035157 0.67362086882632 0.91597983087015 118.710 > 1 4 Sn 0.99857729035157 0.67362086882632 0.91597983087015 118.710 > 1 5 Sn 0.25142270964843 0.07637913117368 0.41597983087015 118.710 > 5 6 Sn 0.75142270964843 0.07637913117368 0.41597983087015 118.710 > 5 7 Sn 0.25142270964843 0.57637913117368 0.41597983087015 118.710 > 5 8 Sn 0.75142270964843 0.57637913117368 0.41597983087015 118.710 > 5 9 Sn 0.00142270964843 0.17362086882632 0.58402016912985 118.710 > 9 10 Sn 0.50142270964843 0.17362086882632 0.58402016912985 118.710 > 9 11 Sn 0.00142270964843 0.67362086882632 0.58402016912985 118.710 > 9 12 Sn 0.50142270964843 0.67362086882632 0.58402016912985 118.710 > 9 13 Sn 0.00000000000000 0.01395477353651 0.75000000000000 118.710 > 13 14 Sn 0.50000000000000 0.01395477353651 0.75000000000000 118.710 > 13 15 Sn 0.00000000000000 0.51395477353651 0.75000000000000 118.710 > 13 16 Sn 0.50000000000000 0.51395477353651 0.75000000000000 118.710 > 13 17 Sn 0.49857729035157 0.32637913117368 0.41597983087015 118.710 > 17 18 Sn 0.99857729035157 0.32637913117368 0.41597983087015 118.710 > 17 19 Sn 0.49857729035157 0.82637913117368 0.41597983087015 118.710 > 17 20 Sn 0.99857729035157 0.82637913117368 0.41597983087015 118.710 > 17 21 Sn 0.24857729035157 0.42362086882632 0.58402016912985 118.710 > 21 22 Sn 0.74857729035157 0.42362086882632 0.58402016912985 118.710 > 21 23 Sn 0.24857729035157 0.92362086882632 0.58402016912985 118.710 > 21 24 Sn 0.74857729035157 0.92362086882632 0.58402016912985 118.710 > 21 25 Sn 0.24857729035157 0.07637913117368 0.08402016912985 118.710 > 25 26 Sn 0.74857729035157 0.07637913117368 0.08402016912985 118.710 > 25 27 Sn 0.24857729035157 0.57637913117368 0.08402016912985 118.710 > 25 28 Sn 0.74857729035157 0.57637913117368 0.08402016912985 118.710 > 25 29 Sn 0.25000000000000 0.23604522646349 0.25000000000000 118.710 > 29 30 Sn 0.75000000000000 0.23604522646349 0.25000000000000 118.710 > 29 31 Sn 0.25000000000000 0.73604522646349 0.25000000000000 118.710 > 29 32 Sn 0.75000000000000 0.73604522646349 0.25000000000000 118.710 > 29 33 Sn 0.25142270964843 0.42362086882632 0.91597983087015 118.710 > 33 34 Sn 0.75142270964843 0.42362086882632 0.91597983087015 118.710 > 33 35 Sn 0.25142270964843 0.92362086882632 0.91597983087015 118.710 > 33 36 Sn 0.75142270964843 0.92362086882632 0.91597983087015 118.710 > 33 37 Sn 0.25000000000000 0.26395477353651 0.75000000000000 118.710 > 37 38 Sn 0.75000000000000 0.26395477353651 0.75000000000000 118.710 > 37 39 Sn 0.25000000000000 0.76395477353651 0.75000000000000 118.710 > 37 40 Sn 0.75000000000000 0.76395477353651 0.75000000000000 118.710 > 37 41 Sn 0.00142270964843 0.32637913117368 0.08402016912985 118.710 > 41 42 Sn 0.50142270964843 0.32637913117368 0.08402016912985 118.710 > 41 43 Sn 0.00142270964843 0.82637913117368 0.08402016912985 118.710 > 41 44 Sn 0.50142270964843 0.82637913117368 0.08402016912985 118.710 > 41 45 Sn 0.00000000000000 0.48604522646349 0.25000000000000 118.710 > 45 46 Sn 0.50000000000000 0.48604522646349 0.25000000000000 118.710 > 45 47 Sn 0.00000000000000 0.98604522646349 0.25000000000000 118.710 > 45 48 Sn 0.50000000000000 0.98604522646349 0.25000000000000 118.710 > 45 49 O 0.10706860481340 0.46371454788940 0.36178657722424 15.999 > 49 50 O 0.60706860481340 0.46371454788940 0.36178657722424 15.999 > 49 51 O 0.10706860481340 0.96371454788940 0.36178657722424 15.999 > 49 52 O 0.60706860481340 0.96371454788940 0.36178657722424 15.999 > 49 53 O 0.13583436576653 0.09963274897399 0.19455307433179 15.999 > 53 54 O 0.63583436576653 0.09963274897399 0.19455307433179 15.999 > 53 55 O 0.13583436576653 0.59963274897399 0.19455307433179 15.999 > 53 56 O 0.63583436576653 0.59963274897399 0.19455307433179 15.999 > 53 57 O 0.39293139518660 0.46371454788940 0.13821342277576 15.999 > 57 58 O 0.89293139518660 0.46371454788940 0.13821342277576 15.999 > 57 59 O 0.39293139518660 0.96371454788940 0.13821342277576 15.999 > 57 60 O 0.89293139518660 0.96371454788940 0.13821342277576 15.999 > 57 61 O 0.35477094372861 0.06200704548343 0.97088177631562 15.999 > 61 62 O 0.85477094372861 0.06200704548343 0.97088177631562 15.999 > 61 63 O 0.35477094372861 0.56200704548343 0.97088177631562 15.999 > 61 64 O 0.85477094372861 0.56200704548343 0.97088177631562 15.999 > 61 65 O 0.11416563423347 0.15036725102601 0.69455307433179 15.999 > 65 66 O 0.61416563423347 0.15036725102601 0.69455307433179 15.999 > 65 67 O 0.11416563423347 0.65036725102601 0.69455307433179 15.999 > 65 68 O 0.61416563423347 0.65036725102601 0.69455307433179 15.999 > 65 69 O 0.14293139518660 0.21371454788940 0.36178657722424 15.999 > 69 70 O 0.64293139518660 0.21371454788940 0.36178657722424 15.999 > 69 71 O 0.14293139518660 0.71371454788940 0.36178657722424 15.999 > 69 72 O 0.64293139518660 0.71371454788940 0.36178657722424 15.999 > 69 73 O 0.35706860481340 0.28628545211060 0.63821342277576 15.999 > 73 74 O 0.85706860481340 0.28628545211060 0.63821342277576 15.999 > 73 75 O 0.35706860481340 0.78628545211060 0.63821342277576 15.999 > 73 76 O 0.85706860481340 0.78628545211060 0.63821342277576 15.999 > 73 77 O 0.39522905627139 0.18799295451657 0.47088177631562 15.999 > 77 78 O 0.89522905627139 0.18799295451657 0.47088177631562 15.999 > 77 79 O 0.39522905627139 0.68799295451657 0.47088177631562 15.999 > 77 80 O 0.89522905627139 0.68799295451657 0.47088177631562 15.999 > 77 81 O 0.35477094372861 0.43799295451657 0.47088177631562 15.999 > 81 82 O 0.85477094372861 0.43799295451657 0.47088177631562 15.999 > 81 83 O 0.35477094372861 0.93799295451657 0.47088177631562 15.999 > 81 84 O 0.85477094372861 0.93799295451657 0.47088177631562 15.999 > 81 85 O 0.10477094372861 0.31200704548343 0.52911822368438 15.999 > 85 86 O 0.60477094372861 0.31200704548343 0.52911822368438 15.999 > 85 87 O 0.10477094372861 0.81200704548343 0.52911822368438 15.999 > 85 88 O 0.60477094372861 0.81200704548343 0.52911822368438 15.999 > 85 89 O 0.14293139518660 0.28628545211060 0.86178657722424 15.999 > 89 90 O 0.64293139518660 0.28628545211060 0.86178657722424 15.999 > 89 91 O 0.14293139518660 0.78628545211060 0.86178657722424 15.999 > 89 92 O 0.64293139518660 0.78628545211060 0.86178657722424 15.999 > 89 93 O 0.35706860481340 0.21371454788940 0.13821342277576 15.999 > 93 94 O 0.85706860481340 0.21371454788940 0.13821342277576 15.999 > 93 95 O 0.35706860481340 0.71371454788940 0.13821342277576 15.999 > 93 96 O 0.85706860481340 0.71371454788940 0.13821342277576 15.999 > 93 97 O 0.14522905627139 0.06200704548343 0.52911822368438 15.999 > 97 98 O 0.64522905627139 0.06200704548343 0.52911822368438 15.999 > 97 99 O 0.14522905627139 0.56200704548343 0.52911822368438 15.999 > 97 100 O 0.64522905627139 0.56200704548343 0.52911822368438 15.999 > 97 101 O 0.14522905627139 0.43799295451657 0.02911822368438 15.999 > 101 102 O 0.64522905627139 0.43799295451657 0.02911822368438 15.999 > 101 103 O 0.14522905627139 0.93799295451657 0.02911822368438 15.999 > 101 104 O 0.64522905627139 0.93799295451657 0.02911822368438 15.999 > 101 105 O 0.38583436576653 0.34963274897399 0.30544692566821 15.999 > 105 106 O 0.88583436576653 0.34963274897399 0.30544692566821 15.999 > 105 107 O 0.38583436576653 0.84963274897399 0.30544692566821 15.999 > 105 108 O 0.88583436576653 0.84963274897399 0.30544692566821 15.999 > 105 109 O 0.10706860481340 0.03628545211060 0.86178657722424 15.999 > 109 110 O 0.60706860481340 0.03628545211060 0.86178657722424 15.999 > 109 111 O 0.10706860481340 0.53628545211060 0.86178657722424 15.999 > 109 112 O 0.60706860481340 0.53628545211060 0.86178657722424 15.999 > 109 113 O 0.39293139518660 0.03628545211060 0.63821342277576 15.999 > 113 114 O 0.89293139518660 0.03628545211060 0.63821342277576 15.999 > 113 115 O 0.39293139518660 0.53628545211060 0.63821342277576 15.999 > 113 116 O 0.89293139518660 0.53628545211060 0.63821342277576 15.999 > 113 117 O 0.13583436576653 0.40036725102601 0.69455307433179 15.999 > 117 118 O 0.63583436576653 0.40036725102601 0.69455307433179 15.999 > 117 119 O 0.13583436576653 0.90036725102601 0.69455307433179 15.999 > 117 120 O 0.63583436576653 0.90036725102601 0.69455307433179 15.999 > 117 121 O 0.36416563423347 0.09963274897399 0.30544692566821 15.999 > 121 122 O 0.86416563423347 0.09963274897399 0.30544692566821 15.999 > 121 123 O 0.36416563423347 0.59963274897399 0.30544692566821 15.999 > 121 124 O 0.86416563423347 0.59963274897399 0.30544692566821 15.999 > 121 125 O 0.38583436576653 0.15036725102601 0.80544692566821 15.999 > 125 126 O 0.88583436576653 0.15036725102601 0.80544692566821 15.999 > 125 127 O 0.38583436576653 0.65036725102601 0.80544692566821 15.999 > 125 128 O 0.88583436576653 0.65036725102601 0.80544692566821 15.999 > 125 129 O 0.36416563423347 0.40036725102601 0.80544692566821 15.999 > 129 130 O 0.86416563423347 0.40036725102601 0.80544692566821 15.999 > 129 131 O 0.36416563423347 0.90036725102601 0.80544692566821 15.999 > 129 132 O 0.86416563423347 0.90036725102601 0.80544692566821 15.999 > 129 133 O 0.10477094372861 0.18799295451657 0.02911822368438 15.999 > 133 134 O 0.60477094372861 0.18799295451657 0.02911822368438 15.999 > 133 135 O 0.10477094372861 0.68799295451657 0.02911822368438 15.999 > 133 136 O 0.60477094372861 0.68799295451657 0.02911822368438 15.999 > 133 137 O 0.39522905627139 0.31200704548343 0.97088177631562 15.999 > 137 138 O 0.89522905627139 0.31200704548343 0.97088177631562 15.999 > 137 139 O 0.39522905627139 0.81200704548343 0.97088177631562 15.999 > 137 140 O 0.89522905627139 0.81200704548343 0.97088177631562 15.999 > 137 141 O 0.11416563423347 0.34963274897399 0.19455307433179 15.999 > 141 142 O 0.61416563423347 0.34963274897399 0.19455307433179 15.999 > 141 143 O 0.11416563423347 0.84963274897399 0.19455307433179 15.999 > 141 144 O 0.61416563423347 0.84963274897399 0.19455307433179 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1084389 0.0000000 0.0000000 0.0000000 5.0874280 0.0000000 0.0000000 0.0000000 5.0967406 -------------------------- Born effective charges -------------------------- 1 Sn 4.0814222 0.5812602 -0.2910952 0.1534853 4.2570980 -0.0388007 -0.0870250 0.1626444 4.4018112 2 Sn 4.0814222 0.5812602 0.2910952 0.1534853 4.2570980 0.0388007 0.0870250 -0.1626444 4.4018112 3 Sn 4.0814222 -0.5812602 -0.2910952 -0.1534853 4.2570980 0.0388007 -0.0870250 -0.1626444 4.4018112 4 Sn 3.9764869 0.0000000 -0.3820269 0.0000000 4.2741011 0.0000000 -0.1186091 0.0000000 4.3407473 5 Sn 4.0814222 -0.5812602 -0.2910952 -0.1534853 4.2570980 0.0388007 -0.0870250 -0.1626444 4.4018112 6 Sn 4.0814222 0.5812602 0.2910952 0.1534853 4.2570980 0.0388007 0.0870250 -0.1626444 4.4018112 7 Sn 4.0814222 -0.5812602 0.2910952 -0.1534853 4.2570980 -0.0388007 0.0870250 0.1626444 4.4018112 8 Sn 3.9764869 0.0000000 0.3820269 0.0000000 4.2741011 0.0000000 0.1186091 0.0000000 4.3407473 9 Sn 4.0814222 -0.5812602 0.2910952 -0.1534853 4.2570980 -0.0388007 0.0870250 0.1626444 4.4018112 10 Sn 3.9764869 0.0000000 0.3820269 0.0000000 4.2741011 0.0000000 0.1186091 0.0000000 4.3407473 11 Sn 4.0814222 0.5812602 -0.2910952 0.1534853 4.2570980 -0.0388007 -0.0870250 0.1626444 4.4018112 12 Sn 3.9764869 0.0000000 -0.3820269 0.0000000 4.2741011 0.0000000 -0.1186091 0.0000000 4.3407473 13 O -2.0501710 -0.6502773 -0.4026667 -0.6688089 -2.1547524 0.0620044 -0.4324040 0.0820693 -2.1847038 14 O -2.0192559 -0.5553805 0.4718226 -0.6735670 -2.1227918 0.0516329 0.4213959 -0.1103062 -2.1828026 15 O -2.0501710 0.6502773 -0.4026667 0.6688089 -2.1547524 -0.0620044 -0.4324040 -0.0820693 -2.1847038 16 O -2.0002387 -0.5804069 0.4027286 -0.6558716 -2.1166044 -0.0077984 0.4559803 -0.0677586 -2.2046784 17 O -2.0192559 -0.5553805 -0.4718226 -0.6735670 -2.1227918 -0.0516329 -0.4213959 0.1103062 -2.1828026 18 O -2.0501710 0.6502773 0.4026667 0.6688089 -2.1547524 0.0620044 0.4324040 0.0820693 -2.1847038 19 O -2.0501710 0.6502773 0.4026667 0.6688089 -2.1547524 0.0620044 0.4324040 0.0820693 -2.1847038 20 O -2.0002387 -0.5804069 -0.4027286 -0.6558716 -2.1166044 0.0077984 -0.4559803 0.0677586 -2.2046784 21 O -2.0002387 0.5804069 0.4027286 0.6558716 -2.1166044 0.0077984 0.4559803 0.0677586 -2.2046784 22 O -2.0002387 -0.5804069 -0.4027286 -0.6558716 -2.1166044 0.0077984 -0.4559803 0.0677586 -2.2046784 23 O -2.0501710 -0.6502773 0.4026667 -0.6688089 -2.1547524 -0.0620044 0.4324040 -0.0820693 -2.1847038 24 O -2.0501710 -0.6502773 0.4026667 -0.6688089 -2.1547524 -0.0620044 0.4324040 -0.0820693 -2.1847038 25 O -2.0002387 0.5804069 0.4027286 0.6558716 -2.1166044 0.0077984 0.4559803 0.0677586 -2.2046784 26 O -2.0002387 -0.5804069 0.4027286 -0.6558716 -2.1166044 -0.0077984 0.4559803 -0.0677586 -2.2046784 27 O -2.0192559 -0.5553805 -0.4718226 -0.6735670 -2.1227918 -0.0516329 -0.4213959 0.1103062 -2.1828026 28 O -2.0501710 0.6502773 -0.4026667 0.6688089 -2.1547524 -0.0620044 -0.4324040 -0.0820693 -2.1847038 29 O -2.0501710 -0.6502773 -0.4026667 -0.6688089 -2.1547524 0.0620044 -0.4324040 0.0820693 -2.1847038 30 O -2.0192559 0.5553805 0.4718226 0.6735670 -2.1227918 -0.0516329 0.4213959 0.1103062 -2.1828026 31 O -2.0192559 0.5553805 0.4718226 0.6735670 -2.1227918 -0.0516329 0.4213959 0.1103062 -2.1828026 32 O -2.0192559 0.5553805 -0.4718226 0.6735670 -2.1227918 0.0516329 -0.4213959 -0.1103062 -2.1828026 33 O -2.0192559 -0.5553805 0.4718226 -0.6735670 -2.1227918 0.0516329 0.4213959 -0.1103062 -2.1828026 34 O -2.0002387 0.5804069 -0.4027286 0.6558716 -2.1166044 -0.0077984 -0.4559803 -0.0677586 -2.2046784 35 O -2.0002387 0.5804069 -0.4027286 0.6558716 -2.1166044 -0.0077984 -0.4559803 -0.0677586 -2.2046784 36 O -2.0192559 0.5553805 -0.4718226 0.6735670 -2.1227918 0.0516329 -0.4213959 -0.1103062 -2.1828026 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xyx) -0.00000001 (xyx) -0.00000001 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 9 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 287, Lambda: 0.13 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: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 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 2.010 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.203 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.420 ( 0.000 0.000 0.000) 0.000 4.429 ( 0.000 0.000 0.000) 0.000 4.459 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.573 ( 0.000 0.000 0.000) 0.000 4.575 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.304 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 6.413 ( 0.000 0.000 0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.636 ( 0.000 0.000 0.000) 0.000 6.955 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.042 ( 0.000 0.000 0.000) 0.000 7.072 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.189 ( 0.000 0.000 0.000) 0.000 7.220 ( 0.000 0.000 0.000) 0.000 7.265 ( 0.000 0.000 0.000) 0.000 7.567 ( 0.000 0.000 0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 7.997 ( 0.000 0.000 0.000) 0.000 8.131 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.271 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.492 ( 0.000 0.000 0.000) 0.000 8.629 ( 0.000 0.000 0.000) 0.000 8.725 ( 0.000 0.000 0.000) 0.000 9.119 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.507 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.911 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 13.364 ( 0.000 0.000 0.000) 0.000 13.651 ( 0.000 0.000 0.000) 0.000 13.688 ( 0.000 0.000 0.000) 0.000 13.949 ( 0.000 0.000 0.000) 0.000 13.955 ( 0.000 0.000 0.000) 0.000 14.046 ( 0.000 0.000 0.000) 0.000 14.234 ( 0.000 0.000 0.000) 0.000 14.293 ( 0.000 0.000 0.000) 0.000 14.397 ( 0.000 0.000 0.000) 0.000 14.464 ( 0.000 0.000 0.000) 0.000 14.913 ( 0.000 0.000 0.000) 0.000 14.998 ( 0.000 0.000 0.000) 0.000 15.054 ( 0.000 0.000 0.000) 0.000 15.075 ( 0.000 0.000 0.000) 0.000 15.224 ( 0.000 0.000 0.000) 0.000 15.677 ( 0.000 0.000 0.000) 0.000 15.716 ( 0.000 0.000 0.000) 0.000 15.753 ( 0.000 0.000 0.000) 0.000 15.839 ( 0.000 0.000 0.000) 0.000 15.903 ( 0.000 0.000 0.000) 0.000 16.319 ( 0.000 0.000 0.000) 0.000 16.330 ( 0.000 0.000 0.000) 0.000 16.372 ( 0.000 0.000 0.000) 0.000 16.513 ( 0.000 0.000 0.000) 0.000 17.424 ( 0.000 0.000 0.000) 0.000 17.468 ( 0.000 0.000 0.000) 0.000 17.708 ( 0.000 0.000 0.000) 0.000 18.120 ( 0.000 0.000 0.000) 0.000 18.144 ( 0.000 0.000 0.000) 0.000 18.343 ( 0.000 0.000 0.000) 0.000 18.422 ( 0.000 0.000 0.000) 0.000 18.492 ( 0.000 0.000 0.000) 0.000 18.557 ( 0.000 0.000 0.000) 0.000 18.783 ( 0.000 0.000 0.000) 0.000 19.254 ( 0.000 0.000 0.000) 0.000 19.419 ( 0.000 0.000 0.000) 0.000 19.624 ( 0.000 0.000 0.000) 0.000 19.840 ( 0.000 0.000 0.000) 0.000 20.023 ( 0.000 0.000 0.000) 0.000 20.181 ( 0.000 0.000 0.000) 0.000 20.197 ( 0.000 0.000 0.000) 0.000 20.474 ( 0.000 0.000 0.000) 0.000 20.860 ( 0.000 0.000 0.000) 0.000 20.974 ( 0.000 0.000 0.000) 0.000 21.389 ( 0.000 0.000 0.000) 0.000 21.676 ( 0.000 0.000 0.000) 0.000 21.779 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 38.303 0.000 0.000) 38.303 0.803 ( 41.809 0.000 0.000) 41.809 1.083 ( 55.772 0.000 0.000) 55.772 2.160 ( 14.758 0.000 0.000) 14.758 2.230 ( 12.107 0.000 0.000) 12.107 2.291 ( 1.092 0.000 0.000) 1.092 2.332 ( -3.944 0.000 0.000) 3.944 3.227 ( 3.485 0.000 0.000) 3.485 3.362 ( 14.574 0.000 0.000) 14.574 3.620 ( -1.872 0.000 0.000) 1.872 3.622 ( -8.601 0.000 0.000) 8.601 3.988 ( -3.859 0.000 0.000) 3.859 4.023 ( 10.310 0.000 0.000) 10.310 4.096 ( 9.606 0.000 0.000) 9.606 4.311 ( -9.735 0.000 0.000) 9.735 4.350 ( -5.720 0.000 0.000) 5.720 4.420 ( -8.482 0.000 0.000) 8.482 4.542 ( 7.372 0.000 0.000) 7.372 4.631 ( 11.308 0.000 0.000) 11.308 4.708 ( 9.113 0.000 0.000) 9.113 4.732 ( 8.590 0.000 0.000) 8.590 4.833 ( 2.224 0.000 0.000) 2.224 4.982 ( 3.586 0.000 0.000) 3.586 5.177 ( 9.150 0.000 0.000) 9.150 5.258 ( -3.503 0.000 0.000) 3.503 5.302 ( -10.265 0.000 0.000) 10.265 5.696 ( -10.959 0.000 0.000) 10.959 5.909 ( 10.152 0.000 0.000) 10.152 6.300 ( -4.017 0.000 0.000) 4.017 6.384 ( -3.000 0.000 0.000) 3.000 6.539 ( 2.087 0.000 0.000) 2.087 6.756 ( 7.603 0.000 0.000) 7.603 6.892 ( -5.846 0.000 0.000) 5.846 6.934 ( -6.033 0.000 0.000) 6.033 7.000 ( 23.220 0.000 0.000) 23.220 7.065 ( -3.694 0.000 0.000) 3.694 7.090 ( -1.929 0.000 0.000) 1.929 7.222 ( 0.518 0.000 0.000) 0.518 7.290 ( 14.393 0.000 0.000) 14.393 7.340 ( 6.028 0.000 0.000) 6.028 7.477 ( -8.760 0.000 0.000) 8.760 7.586 ( -3.777 0.000 0.000) 3.777 7.856 ( -9.958 0.000 0.000) 9.958 7.977 ( -2.108 0.000 0.000) 2.108 8.117 ( 0.400 0.000 0.000) 0.400 8.159 ( -0.271 0.000 0.000) 0.271 8.177 ( -2.453 0.000 0.000) 2.453 8.299 ( 1.844 0.000 0.000) 1.844 8.337 ( 1.775 0.000 0.000) 1.775 8.444 ( -3.771 0.000 0.000) 3.771 8.531 ( -9.211 0.000 0.000) 9.211 8.729 ( 0.215 0.000 0.000) 0.215 8.978 ( 6.108 0.000 0.000) 6.108 9.084 ( -4.681 0.000 0.000) 4.681 9.407 ( 1.217 0.000 0.000) 1.217 9.473 ( -3.530 0.000 0.000) 3.530 9.563 ( -4.837 0.000 0.000) 4.837 10.086 ( -0.545 0.000 0.000) 0.545 10.670 ( -3.234 0.000 0.000) 3.234 10.897 ( -1.541 0.000 0.000) 1.541 12.830 ( 2.673 0.000 0.000) 2.673 13.350 ( -1.378 0.000 0.000) 1.378 13.703 ( 5.283 0.000 0.000) 5.283 13.890 ( -4.043 0.000 0.000) 4.043 13.898 ( -5.251 0.000 0.000) 5.251 13.943 ( 4.545 0.000 0.000) 4.545 14.070 ( 2.209 0.000 0.000) 2.209 14.321 ( 2.483 0.000 0.000) 2.483 14.331 ( 7.902 0.000 0.000) 7.902 14.401 ( 1.176 0.000 0.000) 1.176 14.452 ( -0.832 0.000 0.000) 0.832 14.909 ( -5.707 0.000 0.000) 5.707 14.916 ( 0.268 0.000 0.000) 0.268 15.081 ( 2.862 0.000 0.000) 2.862 15.194 ( 7.184 0.000 0.000) 7.184 15.296 ( 5.955 0.000 0.000) 5.955 15.662 ( -6.640 0.000 0.000) 6.640 15.687 ( -5.826 0.000 0.000) 5.826 15.709 ( 3.361 0.000 0.000) 3.361 15.847 ( 0.337 0.000 0.000) 0.337 15.898 ( 2.427 0.000 0.000) 2.427 16.300 ( -2.209 0.000 0.000) 2.209 16.375 ( 0.341 0.000 0.000) 0.341 16.395 ( 4.847 0.000 0.000) 4.847 16.623 ( 9.580 0.000 0.000) 9.580 17.252 ( -14.961 0.000 0.000) 14.961 17.363 ( -27.657 0.000 0.000) 27.657 17.921 ( -18.452 0.000 0.000) 18.452 17.930 ( -19.781 0.000 0.000) 19.781 18.289 ( -11.092 0.000 0.000) 11.092 18.358 ( -6.875 0.000 0.000) 6.875 18.370 ( -12.593 0.000 0.000) 12.593 18.471 ( -6.881 0.000 0.000) 6.881 18.681 ( -10.404 0.000 0.000) 10.404 19.122 ( -13.055 0.000 0.000) 13.055 19.297 ( -12.543 0.000 0.000) 12.543 19.773 ( 13.477 0.000 0.000) 13.477 20.009 ( 15.363 0.000 0.000) 15.363 20.115 ( 9.495 0.000 0.000) 9.495 20.246 ( 6.302 0.000 0.000) 6.302 20.283 ( 8.401 0.000 0.000) 8.401 20.533 ( 5.438 0.000 0.000) 5.438 20.727 ( 7.347 0.000 0.000) 7.347 20.885 ( 2.310 0.000 0.000) 2.310 21.189 ( 4.202 0.000 0.000) 4.202 21.403 ( 1.157 0.000 0.000) 1.157 21.707 ( 2.670 0.000 0.000) 2.670 21.788 ( 0.908 0.000 0.000) 0.908 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 34.680 0.000 0.000) 34.680 1.602 ( 40.926 0.000 0.000) 40.926 2.130 ( 52.720 0.000 0.000) 52.720 2.302 ( 1.880 0.000 0.000) 1.880 2.379 ( 8.726 0.000 0.000) 8.726 2.522 ( 20.951 0.000 0.000) 20.951 2.534 ( 18.237 0.000 0.000) 18.237 3.291 ( 2.748 0.000 0.000) 2.748 3.490 ( -4.307 0.000 0.000) 4.307 3.575 ( -2.679 0.000 0.000) 2.679 3.692 ( 17.998 0.000 0.000) 17.998 3.892 ( -5.216 0.000 0.000) 5.216 4.139 ( -6.399 0.000 0.000) 6.399 4.166 ( -6.909 0.000 0.000) 6.909 4.202 ( -8.650 0.000 0.000) 8.650 4.301 ( 10.556 0.000 0.000) 10.556 4.314 ( 7.362 0.000 0.000) 7.362 4.743 ( 13.485 0.000 0.000) 13.485 4.877 ( 2.524 0.000 0.000) 2.524 4.890 ( 6.470 0.000 0.000) 6.470 4.909 ( 16.082 0.000 0.000) 16.082 4.971 ( 18.235 0.000 0.000) 18.235 5.087 ( 7.498 0.000 0.000) 7.498 5.131 ( -5.744 0.000 0.000) 5.744 5.215 ( -0.353 0.000 0.000) 0.353 5.382 ( 11.174 0.000 0.000) 11.174 5.414 ( -17.026 0.000 0.000) 17.026 6.115 ( 10.677 0.000 0.000) 10.677 6.270 ( -0.192 0.000 0.000) 0.192 6.293 ( -6.754 0.000 0.000) 6.754 6.612 ( 4.688 0.000 0.000) 4.688 6.743 ( -13.148 0.000 0.000) 13.148 6.757 ( -7.693 0.000 0.000) 7.693 6.915 ( 7.226 0.000 0.000) 7.226 6.953 ( -6.615 0.000 0.000) 6.615 7.038 ( -3.739 0.000 0.000) 3.739 7.257 ( -12.813 0.000 0.000) 12.813 7.269 ( 5.310 0.000 0.000) 5.310 7.415 ( -9.994 0.000 0.000) 9.994 7.419 ( 15.597 0.000 0.000) 15.597 7.448 ( 4.400 0.000 0.000) 4.400 7.623 ( -13.570 0.000 0.000) 13.570 7.648 ( 15.276 0.000 0.000) 15.276 7.954 ( 3.076 0.000 0.000) 3.076 8.057 ( -12.261 0.000 0.000) 12.261 8.073 ( -8.721 0.000 0.000) 8.721 8.154 ( 0.716 0.000 0.000) 0.716 8.362 ( -5.093 0.000 0.000) 5.093 8.362 ( 7.531 0.000 0.000) 7.531 8.384 ( 2.972 0.000 0.000) 2.972 8.396 ( -1.088 0.000 0.000) 1.088 8.730 ( -0.303 0.000 0.000) 0.303 8.957 ( -8.202 0.000 0.000) 8.202 9.107 ( 6.420 0.000 0.000) 6.420 9.376 ( -6.377 0.000 0.000) 6.377 9.430 ( -8.732 0.000 0.000) 8.732 9.459 ( 4.781 0.000 0.000) 4.781 10.063 ( -2.063 0.000 0.000) 2.063 10.573 ( -6.920 0.000 0.000) 6.920 10.843 ( -4.361 0.000 0.000) 4.361 12.898 ( 4.231 0.000 0.000) 4.231 13.313 ( -2.341 0.000 0.000) 2.341 13.794 ( -4.545 0.000 0.000) 4.545 13.846 ( 0.131 0.000 0.000) 0.131 13.847 ( 9.393 0.000 0.000) 9.393 14.068 ( 8.197 0.000 0.000) 8.197 14.105 ( 0.644 0.000 0.000) 0.644 14.360 ( 1.448 0.000 0.000) 1.448 14.461 ( 2.388 0.000 0.000) 2.388 14.479 ( 7.032 0.000 0.000) 7.032 14.481 ( 6.971 0.000 0.000) 6.971 14.807 ( -4.826 0.000 0.000) 4.826 14.925 ( 0.888 0.000 0.000) 0.888 15.165 ( 5.731 0.000 0.000) 5.731 15.322 ( 5.529 0.000 0.000) 5.529 15.376 ( 0.476 0.000 0.000) 0.476 15.502 ( -8.420 0.000 0.000) 8.420 15.558 ( -7.519 0.000 0.000) 7.519 15.810 ( 7.141 0.000 0.000) 7.141 15.837 ( -1.161 0.000 0.000) 1.161 16.015 ( 8.899 0.000 0.000) 8.899 16.240 ( -3.831 0.000 0.000) 3.831 16.344 ( -6.865 0.000 0.000) 6.865 16.414 ( -5.286 0.000 0.000) 5.286 16.816 ( 9.194 0.000 0.000) 9.194 16.914 ( -12.721 0.000 0.000) 12.721 17.018 ( -5.263 0.000 0.000) 5.263 17.472 ( -26.793 0.000 0.000) 26.793 17.483 ( -24.426 0.000 0.000) 24.426 17.937 ( -23.014 0.000 0.000) 23.014 18.029 ( -21.956 0.000 0.000) 21.956 18.172 ( -11.792 0.000 0.000) 11.792 18.292 ( -11.792 0.000 0.000) 11.792 18.404 ( -17.740 0.000 0.000) 17.740 18.787 ( -20.864 0.000 0.000) 20.864 18.975 ( -19.669 0.000 0.000) 19.669 20.067 ( 15.797 0.000 0.000) 15.797 20.313 ( 13.583 0.000 0.000) 13.583 20.353 ( 14.049 0.000 0.000) 14.049 20.395 ( 8.466 0.000 0.000) 8.466 20.510 ( 15.296 0.000 0.000) 15.296 20.648 ( 5.809 0.000 0.000) 5.809 20.886 ( 8.115 0.000 0.000) 8.115 20.933 ( 2.259 0.000 0.000) 2.259 21.293 ( 6.311 0.000 0.000) 6.311 21.420 ( 0.272 0.000 0.000) 0.272 21.753 ( 1.640 0.000 0.000) 1.640 21.810 ( 1.219 0.000 0.000) 1.219 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 29.964 0.000 0.000) 29.964 2.301 ( 23.276 0.000 0.000) 23.276 2.483 ( 25.007 0.000 0.000) 25.007 2.630 ( 17.040 0.000 0.000) 17.040 2.865 ( 14.259 0.000 0.000) 14.259 2.881 ( 14.246 0.000 0.000) 14.246 3.079 ( 43.511 0.000 0.000) 43.511 3.327 ( 1.057 0.000 0.000) 1.057 3.496 ( 7.178 0.000 0.000) 7.178 3.531 ( -1.153 0.000 0.000) 1.153 3.747 ( -6.175 0.000 0.000) 6.175 3.945 ( -13.848 0.000 0.000) 13.848 3.963 ( -13.387 0.000 0.000) 13.387 4.068 ( 16.631 0.000 0.000) 16.631 4.125 ( 5.925 0.000 0.000) 5.925 4.518 ( 11.341 0.000 0.000) 11.341 4.519 ( 9.006 0.000 0.000) 9.006 4.907 ( -2.014 0.000 0.000) 2.014 4.934 ( 3.318 0.000 0.000) 3.318 5.042 ( 16.848 0.000 0.000) 16.848 5.057 ( -14.734 0.000 0.000) 14.734 5.160 ( 6.684 0.000 0.000) 6.684 5.230 ( 4.001 0.000 0.000) 4.001 5.251 ( 14.976 0.000 0.000) 14.976 5.286 ( 10.204 0.000 0.000) 10.204 5.360 ( 20.433 0.000 0.000) 20.433 5.579 ( 8.746 0.000 0.000) 8.746 6.114 ( -12.024 0.000 0.000) 12.024 6.265 ( -0.570 0.000 0.000) 0.570 6.293 ( 7.053 0.000 0.000) 7.053 6.462 ( -14.806 0.000 0.000) 14.806 6.611 ( -7.251 0.000 0.000) 7.251 6.698 ( 3.318 0.000 0.000) 3.318 6.837 ( -5.057 0.000 0.000) 5.057 6.946 ( -5.656 0.000 0.000) 5.656 6.997 ( 0.742 0.000 0.000) 0.742 7.010 ( -10.984 0.000 0.000) 10.984 7.172 ( -14.021 0.000 0.000) 14.021 7.313 ( -8.583 0.000 0.000) 8.583 7.469 ( -7.619 0.000 0.000) 7.619 7.491 ( 8.305 0.000 0.000) 8.305 7.496 ( 0.613 0.000 0.000) 0.613 7.723 ( -20.062 0.000 0.000) 20.062 7.860 ( -12.065 0.000 0.000) 12.065 7.862 ( 5.328 0.000 0.000) 5.328 8.094 ( -4.730 0.000 0.000) 4.730 8.204 ( 18.164 0.000 0.000) 18.164 8.347 ( 1.584 0.000 0.000) 1.584 8.382 ( -0.666 0.000 0.000) 0.666 8.447 ( 3.762 0.000 0.000) 3.762 8.610 ( 15.179 0.000 0.000) 15.179 8.706 ( -2.598 0.000 0.000) 2.598 8.797 ( -6.869 0.000 0.000) 6.869 9.201 ( 3.215 0.000 0.000) 3.215 9.246 ( -9.463 0.000 0.000) 9.463 9.247 ( -6.280 0.000 0.000) 6.280 9.602 ( 9.860 0.000 0.000) 9.860 10.001 ( -4.515 0.000 0.000) 4.515 10.401 ( -11.051 0.000 0.000) 11.051 10.726 ( -7.827 0.000 0.000) 7.827 12.982 ( 4.251 0.000 0.000) 4.251 13.264 ( -2.710 0.000 0.000) 2.710 13.747 ( -0.001 0.000 0.000) 0.001 13.908 ( 6.399 0.000 0.000) 6.399 14.050 ( 10.776 0.000 0.000) 10.776 14.095 ( -0.512 0.000 0.000) 0.512 14.250 ( 10.517 0.000 0.000) 10.517 14.384 ( 0.952 0.000 0.000) 0.952 14.527 ( 3.261 0.000 0.000) 3.261 14.588 ( 4.305 0.000 0.000) 4.305 14.647 ( 9.675 0.000 0.000) 9.675 14.723 ( -3.932 0.000 0.000) 3.932 14.971 ( 4.769 0.000 0.000) 4.769 15.276 ( 3.288 0.000 0.000) 3.288 15.281 ( -9.073 0.000 0.000) 9.073 15.385 ( 0.539 0.000 0.000) 0.539 15.388 ( -1.046 0.000 0.000) 1.046 15.395 ( -9.286 0.000 0.000) 9.286 15.823 ( -0.804 0.000 0.000) 0.804 15.963 ( 7.074 0.000 0.000) 7.074 16.096 ( -14.270 0.000 0.000) 14.270 16.172 ( -1.884 0.000 0.000) 1.884 16.211 ( 10.414 0.000 0.000) 10.414 16.242 ( -9.284 0.000 0.000) 9.284 16.863 ( -10.121 0.000 0.000) 10.121 16.925 ( 8.977 0.000 0.000) 8.977 16.950 ( -25.672 0.000 0.000) 25.672 17.046 ( 5.329 0.000 0.000) 5.329 17.150 ( -2.803 0.000 0.000) 2.803 17.463 ( -25.124 0.000 0.000) 25.124 17.563 ( -25.603 0.000 0.000) 25.603 17.930 ( -12.797 0.000 0.000) 12.797 18.025 ( -21.085 0.000 0.000) 21.085 18.047 ( -12.851 0.000 0.000) 12.851 18.352 ( -23.800 0.000 0.000) 23.800 18.583 ( -20.370 0.000 0.000) 20.370 20.356 ( 13.999 0.000 0.000) 13.999 20.513 ( 8.071 0.000 0.000) 8.071 20.553 ( 7.730 0.000 0.000) 7.730 20.621 ( 13.197 0.000 0.000) 13.197 20.742 ( 3.950 0.000 0.000) 3.950 20.834 ( 16.989 0.000 0.000) 16.989 20.960 ( 0.411 0.000 0.000) 0.411 21.005 ( 3.642 0.000 0.000) 3.642 21.406 ( -1.779 0.000 0.000) 1.779 21.428 ( 7.611 0.000 0.000) 7.611 21.758 ( -1.273 0.000 0.000) 1.273 21.829 ( 0.598 0.000 0.000) 0.598 ======================= Grid point 4 (5/60) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.603 ( 15.444 0.000 0.000) 15.444 2.606 ( 24.628 0.000 0.000) 24.628 3.008 ( 21.351 0.000 0.000) 21.351 3.036 ( 4.209 0.000 0.000) 4.209 3.039 ( 3.381 0.000 0.000) 3.381 3.106 ( 29.455 0.000 0.000) 29.455 3.337 ( 0.140 0.000 0.000) 0.140 3.540 ( 6.519 0.000 0.000) 6.519 3.551 ( 3.058 0.000 0.000) 3.058 3.654 ( -15.852 0.000 0.000) 15.852 3.659 ( -0.796 0.000 0.000) 0.796 3.663 ( -7.704 0.000 0.000) 7.704 4.041 ( 34.258 0.000 0.000) 34.258 4.249 ( -2.083 0.000 0.000) 2.083 4.347 ( 15.149 0.000 0.000) 15.149 4.603 ( -1.158 0.000 0.000) 1.158 4.659 ( 2.329 0.000 0.000) 2.329 4.865 ( 0.051 0.000 0.000) 0.051 4.989 ( 1.740 0.000 0.000) 1.740 4.998 ( 13.371 0.000 0.000) 13.371 5.282 ( 0.527 0.000 0.000) 0.527 5.286 ( 5.661 0.000 0.000) 5.661 5.362 ( 15.435 0.000 0.000) 15.435 5.484 ( 8.814 0.000 0.000) 8.814 5.533 ( 12.066 0.000 0.000) 12.066 5.686 ( 11.161 0.000 0.000) 11.161 5.695 ( 2.471 0.000 0.000) 2.471 5.837 ( -16.149 0.000 0.000) 16.149 6.248 ( -5.257 0.000 0.000) 5.257 6.268 ( 2.315 0.000 0.000) 2.315 6.371 ( 1.333 0.000 0.000) 1.333 6.480 ( -6.290 0.000 0.000) 6.290 6.645 ( -8.619 0.000 0.000) 8.619 6.772 ( -1.566 0.000 0.000) 1.566 6.830 ( -6.202 0.000 0.000) 6.202 6.884 ( -10.816 0.000 0.000) 10.816 6.905 ( -12.980 0.000 0.000) 12.980 6.965 ( 7.074 0.000 0.000) 7.074 7.223 ( -1.449 0.000 0.000) 1.449 7.259 ( -12.695 0.000 0.000) 12.695 7.327 ( -17.031 0.000 0.000) 17.031 7.521 ( 0.262 0.000 0.000) 0.262 7.609 ( -3.924 0.000 0.000) 3.924 7.756 ( 8.664 0.000 0.000) 8.664 7.778 ( -12.102 0.000 0.000) 12.102 8.094 ( 3.633 0.000 0.000) 3.633 8.352 ( -2.705 0.000 0.000) 2.705 8.359 ( -2.798 0.000 0.000) 2.798 8.377 ( 0.649 0.000 0.000) 0.649 8.537 ( 2.781 0.000 0.000) 2.781 8.623 ( -5.544 0.000 0.000) 5.544 8.794 ( -0.064 0.000 0.000) 0.064 8.863 ( 16.535 0.000 0.000) 16.535 9.161 ( 4.266 0.000 0.000) 4.266 9.164 ( -1.815 0.000 0.000) 1.815 9.233 ( 0.267 0.000 0.000) 0.267 9.821 ( 12.550 0.000 0.000) 12.550 9.891 ( -6.668 0.000 0.000) 6.668 10.151 ( -14.707 0.000 0.000) 14.707 10.546 ( -10.728 0.000 0.000) 10.728 13.056 ( 3.444 0.000 0.000) 3.444 13.212 ( -2.618 0.000 0.000) 2.618 13.796 ( 4.937 0.000 0.000) 4.937 14.077 ( -0.222 0.000 0.000) 0.222 14.083 ( 11.346 0.000 0.000) 11.346 14.237 ( 5.153 0.000 0.000) 5.153 14.384 ( -1.514 0.000 0.000) 1.514 14.453 ( 9.249 0.000 0.000) 9.249 14.584 ( 4.962 0.000 0.000) 4.962 14.660 ( -1.783 0.000 0.000) 1.783 14.664 ( 4.286 0.000 0.000) 4.286 14.793 ( 3.295 0.000 0.000) 3.295 15.106 ( 6.077 0.000 0.000) 6.077 15.150 ( -1.179 0.000 0.000) 1.179 15.232 ( -5.033 0.000 0.000) 5.033 15.238 ( -3.699 0.000 0.000) 3.699 15.325 ( -6.966 0.000 0.000) 6.966 15.493 ( 8.188 0.000 0.000) 8.188 15.698 ( -12.329 0.000 0.000) 12.329 15.956 ( -0.263 0.000 0.000) 0.263 15.985 ( -3.987 0.000 0.000) 3.987 16.111 ( -4.518 0.000 0.000) 4.518 16.181 ( -2.580 0.000 0.000) 2.580 16.293 ( -5.726 0.000 0.000) 5.726 16.617 ( -3.300 0.000 0.000) 3.300 16.722 ( 4.933 0.000 0.000) 4.933 16.980 ( -18.862 0.000 0.000) 18.862 17.051 ( -19.675 0.000 0.000) 19.675 17.160 ( 8.624 0.000 0.000) 8.624 17.191 ( 2.298 0.000 0.000) 2.298 17.233 ( 6.568 0.000 0.000) 6.568 17.614 ( -21.106 0.000 0.000) 21.106 17.693 ( -11.925 0.000 0.000) 11.925 17.827 ( -9.217 0.000 0.000) 9.217 17.895 ( -23.004 0.000 0.000) 23.004 18.212 ( -17.923 0.000 0.000) 17.923 20.600 ( 11.405 0.000 0.000) 11.405 20.641 ( 5.364 0.000 0.000) 5.364 20.688 ( 6.330 0.000 0.000) 6.330 20.772 ( 1.497 0.000 0.000) 1.497 20.876 ( 10.949 0.000 0.000) 10.949 20.947 ( -1.773 0.000 0.000) 1.773 21.022 ( -1.698 0.000 0.000) 1.698 21.132 ( 13.363 0.000 0.000) 13.363 21.354 ( -3.243 0.000 0.000) 3.243 21.576 ( 7.452 0.000 0.000) 7.452 21.702 ( -4.552 0.000 0.000) 4.552 21.827 ( -0.954 0.000 0.000) 0.954 ======================= Grid point 5 (6/60) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.926 ( 17.793 0.000 0.000) 17.793 3.022 ( 17.660 0.000 0.000) 17.660 3.072 ( 0.370 0.000 0.000) 0.370 3.073 ( 2.160 0.000 0.000) 2.160 3.255 ( -14.078 0.000 0.000) 14.078 3.347 ( 5.789 0.000 0.000) 5.789 3.354 ( -15.201 0.000 0.000) 15.201 3.379 ( 1.106 0.000 0.000) 1.106 3.505 ( 13.360 0.000 0.000) 13.360 3.629 ( 4.443 0.000 0.000) 4.443 3.683 ( 0.242 0.000 0.000) 0.242 3.778 ( -0.637 0.000 0.000) 0.637 4.131 ( 5.194 0.000 0.000) 5.194 4.442 ( -15.634 0.000 0.000) 15.634 4.603 ( 8.801 0.000 0.000) 8.801 4.605 ( 15.223 0.000 0.000) 15.223 4.728 ( 10.821 0.000 0.000) 10.821 4.963 ( -5.980 0.000 0.000) 5.980 5.018 ( 11.198 0.000 0.000) 11.198 5.207 ( -7.729 0.000 0.000) 7.729 5.294 ( 11.798 0.000 0.000) 11.798 5.409 ( 11.260 0.000 0.000) 11.260 5.512 ( -15.035 0.000 0.000) 15.035 5.602 ( 9.031 0.000 0.000) 9.031 5.634 ( 6.904 0.000 0.000) 6.904 5.654 ( -8.741 0.000 0.000) 8.741 5.675 ( 2.106 0.000 0.000) 2.106 5.744 ( -3.665 0.000 0.000) 3.665 6.272 ( 5.788 0.000 0.000) 5.788 6.359 ( 2.244 0.000 0.000) 2.244 6.371 ( -0.520 0.000 0.000) 0.520 6.385 ( -2.865 0.000 0.000) 2.865 6.504 ( -1.236 0.000 0.000) 1.236 6.648 ( -10.903 0.000 0.000) 10.903 6.712 ( -5.126 0.000 0.000) 5.126 6.715 ( -4.733 0.000 0.000) 4.733 6.835 ( 5.871 0.000 0.000) 5.871 7.015 ( -11.895 0.000 0.000) 11.895 7.111 ( -4.026 0.000 0.000) 4.026 7.144 ( -5.435 0.000 0.000) 5.435 7.188 ( 14.771 0.000 0.000) 14.771 7.495 ( -16.212 0.000 0.000) 16.212 7.546 ( 1.779 0.000 0.000) 1.779 7.569 ( -0.447 0.000 0.000) 0.447 7.977 ( 12.513 0.000 0.000) 12.513 8.167 ( 3.872 0.000 0.000) 3.872 8.213 ( -11.064 0.000 0.000) 11.064 8.256 ( -5.611 0.000 0.000) 5.611 8.423 ( 4.128 0.000 0.000) 4.128 8.518 ( -5.298 0.000 0.000) 5.298 8.590 ( 3.649 0.000 0.000) 3.649 8.690 ( -6.738 0.000 0.000) 6.738 9.172 ( 2.005 0.000 0.000) 2.005 9.215 ( -1.954 0.000 0.000) 1.954 9.218 ( 15.801 0.000 0.000) 15.801 9.311 ( 5.992 0.000 0.000) 5.992 9.771 ( -3.985 0.000 0.000) 3.985 9.863 ( -13.338 0.000 0.000) 13.338 10.071 ( 13.200 0.000 0.000) 13.200 10.320 ( -12.537 0.000 0.000) 12.537 13.115 ( 2.701 0.000 0.000) 2.701 13.164 ( -2.462 0.000 0.000) 2.462 13.924 ( 7.750 0.000 0.000) 7.750 14.052 ( -4.029 0.000 0.000) 4.029 14.255 ( 0.619 0.000 0.000) 0.619 14.311 ( 11.227 0.000 0.000) 11.227 14.318 ( -4.665 0.000 0.000) 4.665 14.480 ( -5.713 0.000 0.000) 5.713 14.739 ( 7.617 0.000 0.000) 7.617 14.743 ( 7.820 0.000 0.000) 7.820 14.765 ( 5.302 0.000 0.000) 5.302 14.799 ( -0.546 0.000 0.000) 0.546 15.093 ( 0.425 0.000 0.000) 0.425 15.114 ( -5.876 0.000 0.000) 5.876 15.145 ( -9.384 0.000 0.000) 9.384 15.169 ( -2.362 0.000 0.000) 2.362 15.359 ( 8.631 0.000 0.000) 8.631 15.486 ( -7.256 0.000 0.000) 7.256 15.659 ( 9.049 0.000 0.000) 9.049 15.844 ( -9.835 0.000 0.000) 9.835 15.983 ( 2.399 0.000 0.000) 2.399 16.042 ( -3.285 0.000 0.000) 3.285 16.097 ( -1.582 0.000 0.000) 1.582 16.142 ( -6.063 0.000 0.000) 6.063 16.678 ( -8.928 0.000 0.000) 8.928 16.704 ( -11.652 0.000 0.000) 11.652 16.785 ( 14.728 0.000 0.000) 14.728 16.933 ( 9.016 0.000 0.000) 9.016 17.257 ( -10.708 0.000 0.000) 10.708 17.286 ( 4.528 0.000 0.000) 4.528 17.312 ( 3.585 0.000 0.000) 3.585 17.370 ( 7.045 0.000 0.000) 7.045 17.424 ( -17.742 0.000 0.000) 17.742 17.539 ( -11.586 0.000 0.000) 11.586 17.741 ( 1.997 0.000 0.000) 1.997 17.906 ( -13.414 0.000 0.000) 13.414 20.724 ( 3.346 0.000 0.000) 3.346 20.769 ( -1.369 0.000 0.000) 1.369 20.789 ( 7.639 0.000 0.000) 7.639 20.795 ( 4.622 0.000 0.000) 4.622 20.899 ( -2.493 0.000 0.000) 2.493 20.950 ( -5.328 0.000 0.000) 5.328 21.072 ( 9.055 0.000 0.000) 9.055 21.216 ( -5.356 0.000 0.000) 5.356 21.409 ( 9.769 0.000 0.000) 9.769 21.583 ( -7.764 0.000 0.000) 7.764 21.703 ( 5.609 0.000 0.000) 5.609 21.788 ( -3.180 0.000 0.000) 3.180 ======================= Grid point 11 (7/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 33.796 0.000) 33.796 0.833 ( 0.000 42.412 0.000) 42.412 1.179 ( 0.000 60.380 0.000) 60.380 2.175 ( 0.000 15.486 0.000) 15.486 2.280 ( 0.000 16.000 0.000) 16.000 2.430 ( 0.000 13.759 0.000) 13.759 2.517 ( 0.000 12.845 0.000) 12.845 3.288 ( 0.000 9.863 0.000) 9.863 3.333 ( 0.000 13.155 0.000) 13.155 3.694 ( 0.000 3.915 0.000) 3.915 3.884 ( 0.000 13.107 0.000) 13.107 3.918 ( 0.000 -6.649 0.000) 6.649 4.014 ( 0.000 9.944 0.000) 9.944 4.035 ( 0.000 3.248 0.000) 3.248 4.230 ( 0.000 -7.470 0.000) 7.470 4.376 ( 0.000 -4.557 0.000) 4.557 4.513 ( 0.000 -0.384 0.000) 0.384 4.575 ( 0.000 6.772 0.000) 6.772 4.699 ( 0.000 13.121 0.000) 13.121 4.714 ( 0.000 12.451 0.000) 12.451 4.809 ( 0.000 12.044 0.000) 12.044 4.910 ( 0.000 -1.865 0.000) 1.865 4.924 ( 0.000 10.058 0.000) 10.058 5.159 ( 0.000 8.375 0.000) 8.375 5.299 ( 0.000 0.056 0.000) 0.056 5.327 ( 0.000 -23.049 0.000) 23.049 5.415 ( 0.000 -1.483 0.000) 1.483 6.198 ( 0.000 18.370 0.000) 18.370 6.460 ( 0.000 2.692 0.000) 2.692 6.528 ( 0.000 11.340 0.000) 11.340 6.542 ( 0.000 3.668 0.000) 3.668 6.698 ( 0.000 6.153 0.000) 6.153 6.845 ( 0.000 -11.431 0.000) 11.431 6.854 ( 0.000 -5.847 0.000) 5.847 6.940 ( 0.000 -2.365 0.000) 2.365 7.025 ( 0.000 -1.306 0.000) 1.306 7.043 ( 0.000 0.080 0.000) 0.080 7.057 ( 0.000 -5.979 0.000) 5.979 7.167 ( 0.000 -2.114 0.000) 2.114 7.257 ( 0.000 2.681 0.000) 2.681 7.411 ( 0.000 9.926 0.000) 9.926 7.540 ( 0.000 -2.729 0.000) 2.729 7.602 ( 0.000 -1.457 0.000) 1.457 7.890 ( 0.000 -9.850 0.000) 9.850 7.997 ( 0.000 -2.631 0.000) 2.631 8.056 ( 0.000 -7.604 0.000) 7.604 8.155 ( 0.000 -4.187 0.000) 4.187 8.350 ( 0.000 8.154 0.000) 8.154 8.494 ( 0.000 21.943 0.000) 21.943 8.533 ( 0.000 6.544 0.000) 6.544 8.577 ( 0.000 -5.396 0.000) 5.396 8.676 ( 0.000 -5.226 0.000) 5.226 9.058 ( 0.000 -7.229 0.000) 7.229 9.088 ( 0.000 -3.196 0.000) 3.196 9.454 ( 0.000 -5.203 0.000) 5.203 9.556 ( 0.000 -5.466 0.000) 5.466 9.624 ( 0.000 3.011 0.000) 3.011 10.065 ( 0.000 -2.730 0.000) 2.730 10.666 ( 0.000 -3.551 0.000) 3.551 10.878 ( 0.000 -3.421 0.000) 3.421 12.873 ( 0.000 6.703 0.000) 6.703 13.437 ( 0.000 7.306 0.000) 7.306 13.484 ( 0.000 -7.668 0.000) 7.668 13.865 ( 0.000 -5.746 0.000) 5.746 13.893 ( 0.000 -0.834 0.000) 0.834 13.893 ( 0.000 10.804 0.000) 10.804 14.222 ( 0.000 7.599 0.000) 7.599 14.400 ( 0.000 5.609 0.000) 5.609 14.434 ( 0.000 -2.007 0.000) 2.007 14.453 ( 0.000 13.545 0.000) 13.545 14.532 ( 0.000 19.160 0.000) 19.160 14.714 ( 0.000 -10.617 0.000) 10.617 15.090 ( 0.000 3.451 0.000) 3.451 15.134 ( 0.000 12.630 0.000) 12.630 15.134 ( 0.000 -8.222 0.000) 8.222 15.309 ( 0.000 14.969 0.000) 14.969 15.678 ( 0.000 0.149 0.000) 0.149 15.689 ( 0.000 -2.686 0.000) 2.686 15.805 ( 0.000 -2.645 0.000) 2.645 15.973 ( 0.000 6.181 0.000) 6.181 16.226 ( 0.000 -5.223 0.000) 5.223 16.413 ( 0.000 3.835 0.000) 3.835 16.441 ( 0.000 6.931 0.000) 6.931 16.494 ( 0.000 -2.127 0.000) 2.127 17.334 ( 0.000 -7.654 0.000) 7.654 17.482 ( 0.000 -0.011 0.000) 0.011 17.674 ( 0.000 -3.287 0.000) 3.287 18.138 ( 0.000 1.578 0.000) 1.578 18.141 ( 0.000 -0.374 0.000) 0.374 18.224 ( 0.000 -16.337 0.000) 16.337 18.380 ( 0.000 -5.161 0.000) 5.161 18.384 ( 0.000 2.457 0.000) 2.457 18.608 ( 0.000 5.023 0.000) 5.023 18.685 ( 0.000 -7.518 0.000) 7.518 18.869 ( 0.000 -26.489 0.000) 26.489 19.159 ( 0.000 2.016 0.000) 2.016 19.235 ( 0.000 -24.043 0.000) 24.043 19.829 ( 0.000 7.960 0.000) 7.960 20.018 ( 0.000 8.070 0.000) 8.070 20.329 ( 0.000 12.918 0.000) 12.918 20.430 ( 0.000 -4.543 0.000) 4.543 20.461 ( 0.000 21.135 0.000) 21.135 20.838 ( 0.000 -2.313 0.000) 2.313 20.856 ( 0.000 11.735 0.000) 11.735 20.949 ( 0.000 -2.497 0.000) 2.497 21.381 ( 0.000 -0.879 0.000) 0.879 21.666 ( 0.000 -1.073 0.000) 1.073 21.771 ( 0.000 -0.795 0.000) 0.795 ======================= Grid point 12 (8/60) ======================= q-point: ( 0.09 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 14.309 25.411 0.000) 29.163 0.977 ( 27.961 20.549 0.000) 34.700 1.748 ( 38.412 39.387 0.000) 55.017 2.226 ( 4.145 9.558 0.000) 10.418 2.374 ( 9.641 16.776 0.000) 19.349 2.482 ( 7.220 15.797 0.000) 17.368 2.491 ( -0.486 14.609 0.000) 14.617 3.307 ( 1.582 7.966 0.000) 8.121 3.444 ( 9.071 8.840 0.000) 12.666 3.642 ( -4.724 0.871 0.000) 4.803 3.752 ( -6.508 12.192 0.000) 13.820 3.923 ( -2.315 -7.187 0.000) 7.551 4.100 ( 2.823 1.965 0.000) 3.439 4.132 ( 6.736 4.302 0.000) 7.993 4.201 ( 2.540 3.163 0.000) 4.056 4.432 ( 3.844 -1.117 0.000) 4.003 4.457 ( -5.432 4.098 0.000) 6.805 4.588 ( -5.936 6.025 0.000) 8.458 4.661 ( 9.146 3.339 0.000) 9.736 4.814 ( 11.187 11.573 0.000) 16.096 4.890 ( 5.816 12.140 0.000) 13.462 4.933 ( 1.596 7.512 0.000) 7.680 5.015 ( 5.810 5.312 0.000) 7.872 5.144 ( -10.894 -15.263 0.000) 18.752 5.222 ( 4.657 4.755 0.000) 6.656 5.295 ( 2.511 4.399 0.000) 5.066 5.511 ( 2.162 -6.131 0.000) 6.501 6.195 ( -1.477 16.508 0.000) 16.574 6.348 ( -4.905 3.350 0.000) 5.940 6.458 ( -6.338 6.346 0.000) 8.969 6.562 ( 0.928 3.020 0.000) 3.160 6.750 ( 11.801 1.114 0.000) 11.853 6.767 ( -7.517 -9.011 0.000) 11.735 6.965 ( -2.792 0.314 0.000) 2.810 6.988 ( 13.757 0.081 0.000) 13.757 7.009 ( -3.294 -6.567 0.000) 7.347 7.032 ( -0.764 -3.998 0.000) 4.071 7.237 ( -0.910 1.304 0.000) 1.590 7.251 ( 10.507 -1.545 0.000) 10.620 7.434 ( 1.483 3.733 0.000) 4.017 7.489 ( -4.310 0.572 0.000) 4.348 7.533 ( 14.241 -21.883 0.000) 26.108 7.579 ( -2.186 0.105 0.000) 2.189 7.831 ( 0.546 -10.626 0.000) 10.640 8.048 ( 1.124 -6.384 0.000) 6.482 8.054 ( 3.255 -3.367 0.000) 4.683 8.160 ( -1.142 -2.572 0.000) 2.814 8.368 ( 1.893 8.053 0.000) 8.273 8.437 ( -6.333 8.911 0.000) 10.932 8.503 ( -6.616 -3.220 0.000) 7.358 8.535 ( 1.382 16.154 0.000) 16.213 8.679 ( 0.248 -5.193 0.000) 5.199 9.021 ( -3.711 -5.946 0.000) 7.009 9.134 ( 3.973 0.595 0.000) 4.018 9.412 ( -4.272 -5.649 0.000) 7.082 9.474 ( -7.803 6.544 0.000) 10.184 9.527 ( -2.987 -3.911 0.000) 4.921 10.102 ( 1.360 -0.346 0.000) 1.403 10.637 ( -3.042 -3.369 0.000) 4.539 10.867 ( -1.276 -3.189 0.000) 3.435 12.895 ( 2.161 6.274 0.000) 6.635 13.418 ( -1.619 6.376 0.000) 6.578 13.583 ( 8.723 -8.449 0.000) 12.144 13.867 ( -0.753 2.060 0.000) 2.193 13.881 ( -0.406 -4.737 0.000) 4.754 13.922 ( 2.420 7.599 0.000) 7.975 14.243 ( 0.949 6.825 0.000) 6.890 14.348 ( -5.157 10.468 0.000) 11.669 14.410 ( 0.440 4.348 0.000) 4.370 14.449 ( 2.277 1.076 0.000) 2.518 14.632 ( 6.727 17.730 0.000) 18.963 14.738 ( 1.774 -10.985 0.000) 11.128 15.060 ( -5.095 10.996 0.000) 12.119 15.113 ( 2.366 2.871 0.000) 3.720 15.203 ( 5.617 -8.092 0.000) 9.850 15.360 ( 3.363 13.741 0.000) 14.147 15.641 ( -5.384 -1.787 0.000) 5.673 15.711 ( 3.174 1.028 0.000) 3.337 15.834 ( 1.883 -1.190 0.000) 2.227 15.973 ( 2.340 6.634 0.000) 7.035 16.218 ( -1.330 -5.535 0.000) 5.692 16.311 ( -6.222 -4.837 0.000) 7.881 16.336 ( -31.300 24.524 0.000) 39.763 16.528 ( -12.335 13.746 0.000) 18.469 16.696 ( 12.483 6.069 0.000) 13.880 17.233 ( -15.200 -1.056 0.000) 15.237 17.354 ( -25.718 -0.768 0.000) 25.730 17.922 ( -19.620 -0.614 0.000) 19.629 17.927 ( -19.237 -0.528 0.000) 19.244 18.241 ( -6.849 -10.285 0.000) 12.357 18.331 ( -8.591 -4.628 0.000) 9.759 18.331 ( -8.652 2.854 0.000) 9.110 18.417 ( -14.415 -5.065 0.000) 15.279 18.692 ( -4.339 2.206 0.000) 4.868 18.904 ( -2.856 -18.911 0.000) 19.126 19.264 ( -4.563 -4.110 0.000) 6.141 19.480 ( 21.312 -18.793 0.000) 28.414 19.952 ( 11.190 -5.755 0.000) 12.583 20.117 ( 9.480 5.794 0.000) 11.110 20.359 ( 4.876 3.691 0.000) 6.115 20.507 ( 5.952 1.500 0.000) 6.138 20.526 ( 6.365 18.967 0.000) 20.006 20.834 ( 2.105 10.298 0.000) 10.511 20.863 ( 2.345 -2.279 0.000) 3.270 21.068 ( 7.653 -6.685 0.000) 10.161 21.389 ( 0.629 -1.417 0.000) 1.550 21.723 ( 3.570 -0.091 0.000) 3.572 21.779 ( 0.788 -0.907 0.000) 1.201 ======================= Grid point 13 (9/60) ======================= q-point: ( 0.18 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 36.375 -9.426 0.000) 37.577 1.564 ( 31.255 10.088 0.000) 32.843 2.273 ( 10.220 5.857 0.000) 11.779 2.331 ( 7.913 2.257 0.000) 8.229 2.640 ( 15.268 10.874 0.000) 18.744 2.728 ( 16.857 14.774 0.000) 22.415 2.748 ( 34.649 36.942 0.000) 50.649 3.335 ( 1.235 4.680 0.000) 4.841 3.511 ( -2.333 3.353 0.000) 4.085 3.531 ( -6.409 -4.211 0.000) 7.669 3.798 ( 10.577 8.541 0.000) 13.595 3.838 ( -5.342 -4.254 0.000) 6.829 4.037 ( -3.658 -4.251 0.000) 5.609 4.211 ( -2.998 1.760 0.000) 3.476 4.316 ( -6.933 9.215 0.000) 11.532 4.392 ( 3.552 4.875 0.000) 6.031 4.424 ( 8.880 10.786 0.000) 13.972 4.676 ( 11.424 -6.275 0.000) 13.034 4.875 ( -1.009 -3.534 0.000) 3.675 4.912 ( 8.407 0.267 0.000) 8.412 4.967 ( 1.966 8.436 0.000) 8.663 5.072 ( 5.236 0.765 0.000) 5.291 5.114 ( 18.191 12.546 0.000) 22.097 5.143 ( 8.350 5.945 0.000) 10.250 5.239 ( 0.613 2.763 0.000) 2.830 5.442 ( -8.381 2.923 0.000) 8.876 5.474 ( 11.674 8.439 0.000) 14.405 6.192 ( 2.221 4.681 0.000) 5.181 6.284 ( -12.255 -2.993 0.000) 12.615 6.328 ( 0.452 5.796 0.000) 5.813 6.606 ( -8.181 -5.200 0.000) 9.694 6.621 ( 4.439 1.459 0.000) 4.673 6.800 ( -11.758 -3.228 0.000) 12.194 6.938 ( -4.442 -1.121 0.000) 4.581 6.941 ( 6.506 2.249 0.000) 6.884 7.000 ( -3.133 -2.913 0.000) 4.278 7.101 ( -4.746 -6.583 0.000) 8.115 7.343 ( -10.550 -7.256 0.000) 12.804 7.354 ( 9.169 -5.570 0.000) 10.728 7.429 ( -0.600 3.445 0.000) 3.497 7.440 ( 5.832 -0.990 0.000) 5.915 7.478 ( -6.652 -6.117 0.000) 9.037 7.662 ( 10.543 0.976 0.000) 10.588 7.939 ( 5.296 -5.693 0.000) 7.776 8.017 ( -10.723 -4.796 0.000) 11.747 8.086 ( -0.590 -1.625 0.000) 1.729 8.134 ( 2.199 0.191 0.000) 2.207 8.306 ( -5.226 1.079 0.000) 5.336 8.393 ( -3.224 1.236 0.000) 3.452 8.446 ( 7.467 8.585 0.000) 11.377 8.571 ( 2.092 15.084 0.000) 15.229 8.680 ( -0.389 -5.024 0.000) 5.039 8.927 ( -5.772 -2.751 0.000) 6.394 9.215 ( 4.151 5.834 0.000) 7.160 9.298 ( -7.175 -5.602 0.000) 9.103 9.438 ( 3.547 0.512 0.000) 3.584 9.444 ( -5.580 -0.540 0.000) 5.606 10.101 ( -1.301 2.637 0.000) 2.940 10.546 ( -6.486 -2.774 0.000) 7.054 10.821 ( -3.754 -2.363 0.000) 4.436 12.952 ( 3.653 5.329 0.000) 6.460 13.376 ( -2.652 6.115 0.000) 6.666 13.791 ( 12.486 -8.192 0.000) 14.934 13.826 ( -3.029 1.792 0.000) 3.519 13.889 ( 1.392 4.143 0.000) 4.370 13.981 ( 3.949 3.833 0.000) 5.503 14.230 ( -1.984 4.033 0.000) 4.495 14.320 ( 2.740 -0.704 0.000) 2.829 14.430 ( 1.556 4.954 0.000) 5.193 14.536 ( 6.019 7.308 0.000) 9.468 14.759 ( 6.021 16.110 0.000) 17.198 14.766 ( 1.351 -7.895 0.000) 8.010 14.977 ( -3.548 7.375 0.000) 8.185 15.173 ( 3.292 -0.075 0.000) 3.293 15.287 ( 2.119 -7.327 0.000) 7.627 15.412 ( 1.890 9.720 0.000) 9.902 15.501 ( -7.883 0.159 0.000) 7.885 15.695 ( -13.359 8.083 0.000) 15.614 15.852 ( 0.233 1.315 0.000) 1.335 15.889 ( -0.735 8.750 0.000) 8.781 16.085 ( 7.845 6.375 0.000) 10.109 16.168 ( -3.670 -5.227 0.000) 6.386 16.186 ( -8.130 -11.949 0.000) 14.452 16.493 ( -5.025 6.205 0.000) 7.984 16.855 ( -6.590 -3.403 0.000) 7.417 16.989 ( -7.112 -2.706 0.000) 7.609 16.993 ( 2.051 12.243 0.000) 12.414 17.477 ( -24.359 0.165 0.000) 24.360 17.507 ( -22.076 1.859 0.000) 22.154 17.984 ( -23.330 3.635 0.000) 23.611 17.987 ( -19.366 -5.568 0.000) 20.150 18.108 ( -12.583 -4.027 0.000) 13.212 18.170 ( -13.512 -7.422 0.000) 15.416 18.511 ( -13.435 6.863 0.000) 15.086 18.719 ( -15.539 -6.348 0.000) 16.786 19.026 ( -17.000 3.578 0.000) 17.373 19.907 ( 21.211 -11.604 0.000) 24.178 20.193 ( 13.358 -8.521 0.000) 15.844 20.334 ( 11.909 2.022 0.000) 12.080 20.500 ( 8.708 0.156 0.000) 8.709 20.626 ( 5.994 0.967 0.000) 6.072 20.687 ( 10.007 13.677 0.000) 16.947 20.914 ( 2.609 -1.877 0.000) 3.214 20.928 ( 6.360 5.067 0.000) 8.132 21.211 ( 7.234 -6.216 0.000) 9.537 21.396 ( -0.132 -2.305 0.000) 2.309 21.770 ( 1.176 0.594 0.000) 1.317 21.797 ( 0.902 -1.335 0.000) 1.611 ======================= Grid point 14 (10/60) ======================= q-point: ( 0.27 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 37.239 -20.011 0.000) 42.276 2.144 ( 28.722 5.354 0.000) 29.217 2.435 ( 11.083 2.471 0.000) 11.355 2.548 ( 14.220 -2.678 0.000) 14.470 2.936 ( 13.496 6.256 0.000) 14.876 3.049 ( 13.885 12.955 0.000) 18.990 3.353 ( 0.574 2.398 0.000) 2.466 3.419 ( 19.936 18.486 0.000) 27.187 3.422 ( -3.614 -7.851 0.000) 8.643 3.522 ( 8.367 3.828 0.000) 9.201 3.746 ( 4.224 1.567 0.000) 4.506 4.022 ( -0.356 0.923 0.000) 0.989 4.033 ( 3.735 -2.753 0.000) 4.640 4.061 ( -1.751 12.246 0.000) 12.370 4.125 ( -6.690 4.554 0.000) 8.093 4.546 ( 7.498 -7.583 0.000) 10.664 4.611 ( 7.369 8.151 0.000) 10.988 4.780 ( -0.842 3.057 0.000) 3.171 4.903 ( 9.407 -9.736 0.000) 13.538 5.021 ( 5.217 5.786 0.000) 7.791 5.129 ( -3.282 0.196 0.000) 3.287 5.176 ( 11.451 -0.303 0.000) 11.455 5.253 ( 3.404 0.530 0.000) 3.444 5.319 ( 3.108 9.440 0.000) 9.938 5.363 ( 10.726 7.924 0.000) 13.335 5.492 ( 18.998 11.932 0.000) 22.434 5.668 ( 7.340 6.977 0.000) 10.127 6.002 ( -15.341 -8.969 0.000) 17.770 6.237 ( 1.054 -2.194 0.000) 2.434 6.333 ( 0.186 2.338 0.000) 2.346 6.467 ( -6.703 0.880 0.000) 6.760 6.556 ( -12.680 -6.661 0.000) 14.324 6.690 ( 0.367 -0.947 0.000) 1.016 6.847 ( -5.029 -1.133 0.000) 5.155 6.887 ( -6.854 -5.598 0.000) 8.850 6.915 ( -5.221 -1.015 0.000) 5.319 7.092 ( 0.375 4.103 0.000) 4.120 7.112 ( -12.189 -6.070 0.000) 13.617 7.191 ( -10.182 -12.686 0.000) 16.267 7.442 ( -4.102 4.688 0.000) 6.230 7.497 ( 0.759 0.112 0.000) 0.767 7.581 ( 9.741 3.714 0.000) 10.425 7.694 ( -15.504 -1.481 0.000) 15.574 7.871 ( 3.717 0.161 0.000) 3.721 7.929 ( -8.033 2.986 0.000) 8.570 8.106 ( 3.007 -3.409 0.000) 4.546 8.129 ( -2.286 3.013 0.000) 3.783 8.336 ( 9.474 -5.217 0.000) 10.815 8.376 ( 0.566 1.888 0.000) 1.971 8.626 ( 4.190 15.470 0.000) 16.027 8.644 ( 0.824 -3.393 0.000) 3.491 8.672 ( 9.341 3.979 0.000) 10.153 8.812 ( -5.349 1.231 0.000) 5.489 9.163 ( -5.865 -3.419 0.000) 6.789 9.285 ( 2.977 7.163 0.000) 7.757 9.327 ( -5.980 3.197 0.000) 6.781 9.571 ( 9.355 -1.925 0.000) 9.551 10.056 ( -3.254 4.710 0.000) 5.724 10.385 ( -10.278 -1.631 0.000) 10.407 10.718 ( -7.004 -0.930 0.000) 7.065 13.027 ( 3.971 4.563 0.000) 6.049 13.320 ( -3.063 5.636 0.000) 6.415 13.779 ( -1.012 2.808 0.000) 2.984 13.951 ( 5.312 4.038 0.000) 6.672 14.027 ( 10.035 -8.258 0.000) 12.996 14.082 ( 6.625 1.898 0.000) 6.892 14.196 ( -0.189 0.736 0.000) 0.760 14.414 ( 4.569 -0.957 0.000) 4.668 14.480 ( 4.769 1.125 0.000) 4.900 14.634 ( 3.825 7.614 0.000) 8.521 14.804 ( 0.908 5.394 0.000) 5.470 14.852 ( 3.463 12.888 0.000) 13.345 14.937 ( 1.507 -2.378 0.000) 2.815 15.163 ( -5.638 -7.397 0.000) 9.300 15.305 ( -0.756 -1.251 0.000) 1.462 15.389 ( -9.735 2.449 0.000) 10.038 15.397 ( -0.311 0.911 0.000) 0.962 15.446 ( -4.487 3.703 0.000) 5.818 15.839 ( -3.349 0.355 0.000) 3.368 15.990 ( 5.082 2.236 0.000) 5.553 16.003 ( -7.540 -6.704 0.000) 10.090 16.091 ( -3.579 -5.552 0.000) 6.606 16.233 ( 6.232 2.030 0.000) 6.554 16.338 ( -8.050 6.819 0.000) 10.550 16.717 ( -5.073 -7.301 0.000) 8.891 16.833 ( -15.041 -6.610 0.000) 16.430 17.098 ( -1.615 9.005 0.000) 9.149 17.163 ( -3.210 6.608 0.000) 7.346 17.243 ( 2.068 9.121 0.000) 9.353 17.515 ( -24.145 4.456 0.000) 24.553 17.555 ( -23.882 -1.237 0.000) 23.914 17.863 ( -12.730 -4.821 0.000) 13.612 17.884 ( -15.852 -5.446 0.000) 16.762 18.219 ( -15.786 9.364 0.000) 18.354 18.356 ( -21.040 0.773 0.000) 21.054 18.674 ( -18.732 7.316 0.000) 20.110 20.265 ( 15.874 -6.872 0.000) 17.298 20.441 ( 11.821 -7.531 0.000) 14.016 20.540 ( 9.074 0.941 0.000) 9.123 20.669 ( 8.539 -1.303 0.000) 8.638 20.723 ( 3.915 0.251 0.000) 3.923 20.891 ( 9.190 4.480 0.000) 10.224 20.962 ( 3.921 0.946 0.000) 4.034 21.035 ( 3.991 3.483 0.000) 5.297 21.352 ( 7.623 -6.373 0.000) 9.936 21.378 ( -1.711 -2.578 0.000) 3.094 21.765 ( -1.632 0.069 0.000) 1.634 21.808 ( 0.143 -2.091 0.000) 2.096 ======================= Grid point 15 (11/60) ======================= q-point: ( 0.36 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.572 ( 16.919 -4.646 0.000) 17.545 2.655 ( 23.975 4.078 0.000) 24.320 2.842 ( 14.933 -7.337 0.000) 16.638 2.859 ( 32.532 -16.857 0.000) 36.640 3.109 ( 5.043 6.427 0.000) 8.170 3.176 ( 0.938 1.872 0.000) 2.094 3.373 ( 1.682 3.981 0.000) 4.322 3.431 ( 2.752 -0.721 0.000) 2.844 3.469 ( -8.011 -5.287 0.000) 9.598 3.594 ( 6.130 3.018 0.000) 6.832 3.831 ( -7.084 4.595 0.000) 8.444 3.856 ( -9.304 12.181 0.000) 15.328 4.115 ( 0.887 -10.126 0.000) 10.165 4.268 ( 13.883 -7.895 0.000) 15.970 4.320 ( 25.129 22.244 0.000) 33.560 4.646 ( 7.247 -9.947 0.000) 12.307 4.648 ( -5.499 3.138 0.000) 6.332 4.816 ( 0.743 8.060 0.000) 8.094 4.941 ( -1.740 -5.847 0.000) 6.100 5.135 ( 10.311 5.534 0.000) 11.702 5.221 ( 9.785 -9.310 0.000) 13.506 5.309 ( 3.551 2.928 0.000) 4.602 5.332 ( 4.879 2.309 0.000) 5.397 5.484 ( 0.613 -3.171 0.000) 3.229 5.501 ( 10.160 -1.762 0.000) 10.312 5.729 ( 0.048 3.672 0.000) 3.673 5.780 ( 8.499 8.191 0.000) 11.803 5.805 ( -4.515 1.759 0.000) 4.846 6.246 ( 1.901 -3.220 0.000) 3.739 6.323 ( -6.796 1.839 0.000) 7.040 6.328 ( -1.146 -3.376 0.000) 3.566 6.374 ( -6.019 -7.134 0.000) 9.334 6.575 ( -8.947 -5.586 0.000) 10.547 6.722 ( -8.382 -7.259 0.000) 11.088 6.795 ( -6.447 -4.854 0.000) 8.069 6.837 ( -2.607 3.073 0.000) 4.030 6.909 ( -7.959 -0.086 0.000) 7.960 7.027 ( -0.185 -2.790 0.000) 2.796 7.131 ( -1.167 -0.602 0.000) 1.313 7.320 ( -6.359 6.127 0.000) 8.830 7.346 ( -14.839 3.132 0.000) 15.166 7.533 ( 0.182 1.081 0.000) 1.096 7.754 ( -6.885 8.447 0.000) 10.898 7.801 ( 10.880 4.610 0.000) 11.817 7.817 ( -9.583 2.423 0.000) 9.884 8.143 ( 3.666 4.525 0.000) 5.824 8.144 ( 2.459 -6.881 0.000) 7.308 8.362 ( -3.140 0.421 0.000) 3.168 8.507 ( 4.862 -2.524 0.000) 5.478 8.570 ( -4.779 -3.916 0.000) 6.179 8.633 ( -4.557 11.859 0.000) 12.704 8.815 ( -0.539 2.098 0.000) 2.166 8.895 ( 15.189 4.291 0.000) 15.784 9.147 ( 5.162 1.104 0.000) 5.279 9.252 ( -0.298 5.756 0.000) 5.764 9.327 ( 1.457 8.542 0.000) 8.665 9.752 ( 7.286 -3.708 0.000) 8.175 9.999 ( -0.692 7.609 0.000) 7.640 10.154 ( -13.521 0.223 0.000) 13.523 10.554 ( -9.946 0.727 0.000) 9.972 13.099 ( 3.420 4.327 0.000) 5.515 13.263 ( -2.873 5.118 0.000) 5.869 13.801 ( 3.258 0.629 0.000) 3.318 14.088 ( -1.651 -1.060 0.000) 1.962 14.093 ( 9.186 0.704 0.000) 9.213 14.211 ( 5.306 -0.148 0.000) 5.308 14.285 ( 7.643 -10.196 0.000) 12.743 14.438 ( -1.567 4.972 0.000) 5.213 14.626 ( 9.085 -2.633 0.000) 9.458 14.735 ( -1.917 9.611 0.000) 9.800 14.742 ( 4.556 6.476 0.000) 7.918 14.861 ( -3.046 4.677 0.000) 5.582 15.041 ( 3.486 -7.331 0.000) 8.117 15.062 ( -3.903 -5.814 0.000) 7.002 15.220 ( -2.571 0.070 0.000) 2.572 15.246 ( -1.640 -0.068 0.000) 1.642 15.364 ( -6.536 2.803 0.000) 7.111 15.484 ( 6.606 -0.695 0.000) 6.643 15.666 ( -11.849 -3.696 0.000) 12.412 15.955 ( -6.669 -3.665 0.000) 7.610 15.986 ( 2.767 3.388 0.000) 4.374 16.069 ( -1.568 -3.324 0.000) 3.675 16.208 ( -6.642 2.423 0.000) 7.070 16.230 ( -6.848 -5.524 0.000) 8.798 16.642 ( 1.158 3.327 0.000) 3.523 16.702 ( 5.196 -1.420 0.000) 5.387 17.016 ( -13.528 2.903 0.000) 13.836 17.048 ( -19.205 -0.281 0.000) 19.207 17.191 ( 0.715 5.216 0.000) 5.265 17.263 ( 1.481 5.952 0.000) 6.134 17.381 ( 5.912 10.490 0.000) 12.042 17.580 ( -14.502 0.501 0.000) 14.510 17.629 ( -11.378 -3.950 0.000) 12.044 17.946 ( -20.879 5.029 0.000) 21.476 17.948 ( -11.177 9.518 0.000) 14.680 18.328 ( -16.959 9.594 0.000) 19.484 20.520 ( 10.678 -5.055 0.000) 11.814 20.630 ( 7.510 -5.509 0.000) 9.314 20.684 ( 6.178 0.843 0.000) 6.235 20.774 ( 1.735 -0.295 0.000) 1.760 20.823 ( 6.907 -4.094 0.000) 8.029 20.935 ( -0.828 -0.431 0.000) 0.933 21.076 ( 0.839 4.386 0.000) 4.466 21.144 ( 10.205 0.770 0.000) 10.234 21.335 ( -2.079 -1.488 0.000) 2.557 21.497 ( 6.860 -6.642 0.000) 9.549 21.710 ( -3.848 -0.178 0.000) 3.852 21.797 ( -1.396 -2.961 0.000) 3.273 ======================= Grid point 16 (12/60) ======================= q-point: ( 0.45 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.857 ( 12.805 -4.691 0.000) 13.637 3.002 ( 0.184 -4.252 0.000) 4.256 3.043 ( 14.621 1.191 0.000) 14.670 3.174 ( 3.059 6.779 0.000) 7.437 3.231 ( 2.946 -8.158 0.000) 8.673 3.286 ( -8.367 -1.606 0.000) 8.519 3.384 ( 11.472 -10.537 0.000) 15.577 3.409 ( 3.031 2.021 0.000) 3.643 3.440 ( 1.348 8.363 0.000) 8.471 3.583 ( -7.149 1.956 0.000) 7.412 3.814 ( 5.284 10.839 0.000) 12.059 3.848 ( 12.683 -4.854 0.000) 13.581 3.993 ( -8.170 -2.487 0.000) 8.540 4.290 ( -21.169 -15.201 0.000) 26.061 4.577 ( 6.449 -3.735 0.000) 7.452 4.595 ( 4.184 -5.064 0.000) 6.569 4.866 ( 8.922 11.260 0.000) 14.366 4.921 ( -0.164 -2.501 0.000) 2.506 4.962 ( 14.962 -2.607 0.000) 15.187 5.194 ( -8.376 -2.775 0.000) 8.823 5.338 ( 2.392 -0.048 0.000) 2.393 5.421 ( 15.032 1.633 0.000) 15.120 5.430 ( -3.150 -6.029 0.000) 6.802 5.536 ( 7.134 -5.721 0.000) 9.145 5.619 ( 1.271 -3.047 0.000) 3.301 5.657 ( -7.177 4.362 0.000) 8.399 5.759 ( -0.238 6.664 0.000) 6.668 5.806 ( -3.188 4.905 0.000) 5.851 6.268 ( -0.454 -8.513 0.000) 8.525 6.285 ( -1.879 -7.568 0.000) 7.798 6.307 ( 0.216 0.990 0.000) 1.014 6.326 ( 2.108 -2.949 0.000) 3.625 6.452 ( -1.099 -4.243 0.000) 4.383 6.552 ( -8.358 -7.665 0.000) 11.341 6.693 ( -1.932 0.029 0.000) 1.932 6.739 ( -5.809 2.616 0.000) 6.371 6.875 ( 2.509 2.809 0.000) 3.767 6.958 ( -5.784 -3.812 0.000) 6.928 7.153 ( -3.929 4.338 0.000) 5.853 7.163 ( -1.791 3.220 0.000) 3.685 7.300 ( 9.338 6.508 0.000) 11.382 7.521 ( -6.429 0.815 0.000) 6.481 7.608 ( -5.968 5.943 0.000) 8.422 7.634 ( -4.440 5.141 0.000) 6.793 8.034 ( 11.750 5.415 0.000) 12.938 8.200 ( -0.550 3.552 0.000) 3.595 8.209 ( 3.270 -1.805 0.000) 3.735 8.254 ( -5.861 3.034 0.000) 6.600 8.490 ( -2.894 -0.964 0.000) 3.050 8.494 ( -3.285 4.713 0.000) 5.744 8.628 ( 3.763 3.845 0.000) 5.380 8.725 ( -6.024 2.685 0.000) 6.596 9.165 ( 8.198 0.451 0.000) 8.210 9.205 ( 0.985 3.305 0.000) 3.448 9.358 ( 6.733 4.514 0.000) 8.106 9.368 ( 3.808 9.367 0.000) 10.112 9.779 ( -0.968 0.678 0.000) 1.182 9.890 ( -12.440 2.495 0.000) 12.688 10.116 ( 11.004 4.598 0.000) 11.926 10.343 ( -11.776 2.296 0.000) 11.997 13.159 ( 2.821 4.466 0.000) 5.282 13.210 ( -2.626 4.744 0.000) 5.422 13.896 ( 6.182 -2.464 0.000) 6.655 14.017 ( -5.629 -3.720 0.000) 6.747 14.280 ( 3.424 3.332 0.000) 4.777 14.285 ( 9.873 -2.654 0.000) 10.223 14.367 ( -4.951 4.645 0.000) 6.789 14.407 ( 0.754 -8.321 0.000) 8.356 14.662 ( 1.897 1.047 0.000) 2.167 14.785 ( -5.243 -0.301 0.000) 5.251 14.813 ( 9.385 2.467 0.000) 9.704 14.890 ( 2.251 4.638 0.000) 5.155 14.950 ( -4.289 -9.292 0.000) 10.234 15.006 ( -3.207 -4.147 0.000) 5.243 15.216 ( -1.476 3.144 0.000) 3.473 15.283 ( 0.950 4.518 0.000) 4.617 15.327 ( 5.556 -2.709 0.000) 6.181 15.439 ( -10.163 -4.404 0.000) 11.076 15.623 ( 7.791 -2.365 0.000) 8.142 15.788 ( -9.389 -4.517 0.000) 10.419 16.040 ( -0.010 -2.218 0.000) 2.218 16.047 ( 2.937 5.341 0.000) 6.095 16.096 ( -4.866 -4.326 0.000) 6.511 16.114 ( -3.287 3.166 0.000) 4.564 16.679 ( -6.307 0.323 0.000) 6.315 16.718 ( -10.975 1.615 0.000) 11.093 16.811 ( 12.007 2.798 0.000) 12.328 16.942 ( 3.719 0.932 0.000) 3.834 17.244 ( -4.190 -0.653 0.000) 4.241 17.298 ( -2.918 -0.309 0.000) 2.934 17.349 ( 5.414 6.582 0.000) 8.522 17.457 ( -3.858 5.024 0.000) 6.335 17.497 ( -0.584 10.233 0.000) 10.250 17.588 ( -15.043 6.280 0.000) 16.301 17.858 ( 3.361 10.238 0.000) 10.776 18.035 ( -13.143 10.836 0.000) 17.034 20.672 ( 5.072 -4.304 0.000) 6.652 20.715 ( 0.878 -4.788 0.000) 4.868 20.786 ( 4.082 -1.435 0.000) 4.327 20.802 ( 1.584 -0.049 0.000) 1.584 20.899 ( 0.412 -3.998 0.000) 4.019 20.906 ( -1.639 0.702 0.000) 1.782 21.112 ( 3.906 3.048 0.000) 4.955 21.201 ( -3.871 -1.411 0.000) 4.120 21.403 ( 8.483 -0.571 0.000) 8.502 21.545 ( -4.456 -3.774 0.000) 5.840 21.679 ( 3.003 -2.408 0.000) 3.850 21.752 ( -3.363 -3.591 0.000) 4.920 ======================= Grid point 22 (13/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 0.000 34.293 0.000) 34.293 1.616 ( 0.000 38.731 0.000) 38.731 2.280 ( 0.000 50.249 0.000) 50.249 2.519 ( 0.000 18.293 0.000) 18.293 2.649 ( 0.000 23.774 0.000) 23.774 2.777 ( 0.000 21.055 0.000) 21.055 2.845 ( 0.000 20.080 0.000) 20.080 3.508 ( 0.000 10.895 0.000) 10.895 3.672 ( 0.000 -7.310 0.000) 7.310 3.684 ( 0.000 21.436 0.000) 21.436 3.735 ( 0.000 -11.171 0.000) 11.171 4.137 ( 0.000 5.845 0.000) 5.845 4.202 ( 0.000 18.388 0.000) 18.388 4.233 ( 0.000 -7.192 0.000) 7.192 4.257 ( 0.000 10.751 0.000) 10.751 4.291 ( 0.000 15.233 0.000) 15.233 4.448 ( 0.000 -11.609 0.000) 11.609 4.764 ( 0.000 12.396 0.000) 12.396 4.866 ( 0.000 -0.860 0.000) 0.860 4.932 ( 0.000 -3.198 0.000) 3.198 4.937 ( 0.000 11.264 0.000) 11.264 5.000 ( 0.000 15.916 0.000) 15.916 5.102 ( 0.000 7.613 0.000) 7.613 5.112 ( 0.000 4.443 0.000) 4.443 5.350 ( 0.000 10.352 0.000) 10.352 5.433 ( 0.000 5.046 0.000) 5.046 5.435 ( 0.000 17.850 0.000) 17.850 6.447 ( 0.000 8.285 0.000) 8.285 6.468 ( 0.000 -2.022 0.000) 2.022 6.524 ( 0.000 -21.561 0.000) 21.561 6.691 ( 0.000 10.625 0.000) 10.625 6.799 ( 0.000 14.873 0.000) 14.873 6.844 ( 0.000 5.155 0.000) 5.155 6.862 ( 0.000 -13.179 0.000) 13.179 6.869 ( 0.000 -6.410 0.000) 6.410 6.871 ( 0.000 11.501 0.000) 11.501 7.044 ( 0.000 0.104 0.000) 0.104 7.059 ( 0.000 5.100 0.000) 5.100 7.127 ( 0.000 -2.123 0.000) 2.123 7.313 ( 0.000 3.266 0.000) 3.266 7.470 ( 0.000 -4.211 0.000) 4.211 7.545 ( 0.000 3.382 0.000) 3.382 7.546 ( 0.000 -5.060 0.000) 5.060 7.623 ( 0.000 -17.272 0.000) 17.272 7.861 ( 0.000 -11.538 0.000) 11.538 7.960 ( 0.000 -1.960 0.000) 1.960 8.036 ( 0.000 -8.278 0.000) 8.278 8.428 ( 0.000 -9.665 0.000) 9.665 8.521 ( 0.000 -10.752 0.000) 10.752 8.588 ( 0.000 15.839 0.000) 15.839 8.636 ( 0.000 7.064 0.000) 7.064 8.864 ( 0.000 -12.385 0.000) 12.385 9.001 ( 0.000 26.045 0.000) 26.045 9.001 ( 0.000 -5.661 0.000) 5.661 9.328 ( 0.000 -7.333 0.000) 7.333 9.407 ( 0.000 -9.792 0.000) 9.792 9.715 ( 0.000 6.457 0.000) 6.457 9.982 ( 0.000 -6.049 0.000) 6.049 10.565 ( 0.000 -6.914 0.000) 6.914 10.776 ( 0.000 -7.233 0.000) 7.233 13.023 ( 0.000 7.953 0.000) 7.953 13.377 ( 0.000 -3.476 0.000) 3.476 13.620 ( 0.000 10.878 0.000) 10.878 13.785 ( 0.000 -2.171 0.000) 2.171 13.961 ( 0.000 6.248 0.000) 6.248 14.013 ( 0.000 -0.100 0.000) 0.100 14.316 ( 0.000 -1.209 0.000) 1.209 14.522 ( 0.000 14.213 0.000) 14.213 14.542 ( 0.000 10.735 0.000) 10.735 14.635 ( 0.000 4.333 0.000) 4.333 14.735 ( 0.000 12.933 0.000) 12.933 14.915 ( 0.000 17.082 0.000) 17.082 14.960 ( 0.000 -7.190 0.000) 7.190 15.201 ( 0.000 9.482 0.000) 9.482 15.415 ( 0.000 14.736 0.000) 14.736 15.576 ( 0.000 11.945 0.000) 11.945 15.620 ( 0.000 -4.276 0.000) 4.276 15.686 ( 0.000 0.843 0.000) 0.843 15.786 ( 0.000 1.542 0.000) 1.542 16.095 ( 0.000 5.637 0.000) 5.637 16.123 ( 0.000 -5.508 0.000) 5.508 16.436 ( 0.000 -3.328 0.000) 3.328 16.452 ( 0.000 -0.589 0.000) 0.589 16.623 ( 0.000 11.447 0.000) 11.447 17.148 ( 0.000 -11.438 0.000) 11.438 17.477 ( 0.000 0.306 0.000) 0.306 17.597 ( 0.000 -4.144 0.000) 4.144 17.887 ( 0.000 -15.952 0.000) 15.952 18.121 ( 0.000 -2.017 0.000) 2.017 18.167 ( 0.000 1.106 0.000) 1.106 18.232 ( 0.000 -10.609 0.000) 10.609 18.289 ( 0.000 -11.263 0.000) 11.263 18.363 ( 0.000 -24.453 0.000) 24.453 18.648 ( 0.000 -3.073 0.000) 3.073 18.732 ( 0.000 7.347 0.000) 7.347 18.872 ( 0.000 -6.434 0.000) 6.434 19.185 ( 0.000 0.143 0.000) 0.143 19.968 ( 0.000 7.436 0.000) 7.436 20.168 ( 0.000 7.829 0.000) 7.829 20.298 ( 0.000 -9.251 0.000) 9.251 20.590 ( 0.000 13.359 0.000) 13.359 20.770 ( 0.000 -4.799 0.000) 4.799 20.847 ( 0.000 17.883 0.000) 17.883 20.879 ( 0.000 -4.822 0.000) 4.822 21.118 ( 0.000 13.904 0.000) 13.904 21.353 ( 0.000 -2.149 0.000) 2.149 21.634 ( 0.000 -2.285 0.000) 2.285 21.748 ( 0.000 -1.649 0.000) 1.649 ======================= Grid point 23 (14/60) ======================= q-point: ( 0.09 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 14.897 28.092 0.000) 31.798 1.489 ( -7.615 41.854 0.000) 42.541 2.385 ( 6.470 27.946 0.000) 28.685 2.516 ( -0.504 18.630 0.000) 18.637 2.706 ( 4.319 14.576 0.000) 15.202 2.823 ( 5.928 18.930 0.000) 19.836 3.011 ( 18.708 38.069 0.000) 42.418 3.488 ( -2.378 7.273 0.000) 7.652 3.601 ( -6.139 -3.501 0.000) 7.067 3.690 ( 0.845 11.855 0.000) 11.885 3.748 ( -1.484 -5.927 0.000) 6.110 4.003 ( -5.436 10.301 0.000) 11.647 4.111 ( -7.689 4.393 0.000) 8.856 4.278 ( 2.470 10.878 0.000) 11.155 4.285 ( 5.149 -8.149 0.000) 9.640 4.452 ( -2.746 -9.331 0.000) 9.726 4.498 ( 13.119 16.346 0.000) 20.959 4.716 ( -9.929 6.950 0.000) 12.120 4.721 ( 0.088 2.899 0.000) 2.900 4.930 ( 0.100 0.235 0.000) 0.256 5.059 ( 7.381 6.905 0.000) 10.108 5.108 ( 10.372 14.933 0.000) 18.182 5.121 ( 1.010 0.934 0.000) 1.376 5.151 ( 4.830 16.293 0.000) 16.993 5.417 ( -1.203 16.673 0.000) 16.716 5.457 ( 9.626 12.399 0.000) 15.697 5.495 ( 4.240 3.434 0.000) 5.456 6.336 ( -9.040 -0.787 0.000) 9.074 6.398 ( -11.454 -15.684 0.000) 19.421 6.448 ( -0.299 5.830 0.000) 5.838 6.708 ( -1.914 11.673 0.000) 11.828 6.727 ( -7.332 0.459 0.000) 7.346 6.817 ( -4.731 -7.829 0.000) 9.147 6.820 ( 10.083 5.822 0.000) 11.643 6.894 ( 1.218 -4.954 0.000) 5.102 7.036 ( 5.216 4.284 0.000) 6.750 7.038 ( -2.149 3.080 0.000) 3.756 7.223 ( 2.080 -6.904 0.000) 7.210 7.225 ( 9.292 -1.520 0.000) 9.415 7.293 ( 6.329 0.068 0.000) 6.330 7.388 ( -10.810 -7.306 0.000) 13.047 7.482 ( 1.672 -1.983 0.000) 2.593 7.603 ( 1.821 0.884 0.000) 2.025 7.622 ( 2.846 -10.356 0.000) 10.740 7.901 ( 3.934 -8.045 0.000) 8.956 7.981 ( 1.665 -4.244 0.000) 4.559 8.082 ( 3.046 -5.454 0.000) 6.247 8.393 ( -2.725 -8.044 0.000) 8.493 8.532 ( 0.917 -9.294 0.000) 9.339 8.566 ( -6.589 7.010 0.000) 9.620 8.606 ( 1.982 14.994 0.000) 15.124 8.845 ( -1.711 -4.981 0.000) 5.267 8.962 ( -0.836 10.262 0.000) 10.296 9.094 ( 5.872 3.553 0.000) 6.863 9.286 ( -3.865 -6.864 0.000) 7.877 9.410 ( -0.065 -8.050 0.000) 8.050 9.617 ( -6.139 7.957 0.000) 10.050 10.061 ( 5.093 -3.613 0.000) 6.245 10.541 ( -2.534 -6.616 0.000) 7.085 10.771 ( -0.644 -6.905 0.000) 6.935 13.040 ( 1.672 7.982 0.000) 8.155 13.434 ( 5.224 -4.019 0.000) 6.591 13.613 ( -0.352 9.972 0.000) 9.978 13.793 ( 0.753 -3.066 0.000) 3.157 13.969 ( 0.975 6.838 0.000) 6.907 14.049 ( 3.166 1.892 0.000) 3.689 14.304 ( -1.138 -0.199 0.000) 1.156 14.516 ( 0.396 5.094 0.000) 5.109 14.557 ( 1.455 11.186 0.000) 11.281 14.608 ( -10.787 14.355 0.000) 17.956 14.677 ( 3.291 8.675 0.000) 9.279 14.901 ( 3.202 0.193 0.000) 3.208 15.083 ( 5.625 5.942 0.000) 8.182 15.214 ( 1.371 7.474 0.000) 7.599 15.307 ( -7.904 13.022 0.000) 15.233 15.583 ( 0.042 8.123 0.000) 8.123 15.606 ( -2.355 -2.047 0.000) 3.121 15.753 ( 5.114 3.426 0.000) 6.156 15.824 ( 3.261 1.036 0.000) 3.422 16.107 ( 0.622 6.083 0.000) 6.115 16.111 ( -1.430 -5.391 0.000) 5.578 16.224 ( -11.335 -3.713 0.000) 11.927 16.521 ( 3.192 3.556 0.000) 4.779 16.682 ( -32.891 -1.526 0.000) 32.926 16.837 ( 11.365 8.614 0.000) 14.260 17.239 ( -17.438 1.296 0.000) 17.486 17.343 ( -19.225 -0.094 0.000) 19.225 17.854 ( -17.929 -7.025 0.000) 19.256 17.897 ( -18.071 -3.007 0.000) 18.319 18.028 ( -5.496 -10.147 0.000) 11.540 18.208 ( -9.374 -11.057 0.000) 14.496 18.215 ( -2.459 -7.655 0.000) 8.040 18.456 ( -14.220 4.368 0.000) 14.876 18.519 ( 8.348 -18.142 0.000) 19.971 18.762 ( -2.103 3.747 0.000) 4.297 19.187 ( -1.693 -3.545 0.000) 3.928 19.207 ( 26.766 -6.966 0.000) 27.657 19.950 ( 0.906 3.715 0.000) 3.824 20.232 ( 6.208 6.145 0.000) 8.735 20.328 ( 3.125 -5.892 0.000) 6.669 20.617 ( 2.660 8.601 0.000) 9.003 20.799 ( 2.816 -4.294 0.000) 5.135 20.873 ( 2.548 15.922 0.000) 16.124 20.960 ( 6.670 -5.196 0.000) 8.455 21.077 ( -1.656 13.355 0.000) 13.457 21.352 ( -0.106 -2.216 0.000) 2.219 21.699 ( 4.541 -2.169 0.000) 5.033 21.752 ( 0.396 -1.921 0.000) 1.961 ======================= Grid point 24 (15/60) ======================= q-point: ( 0.18 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 8.561 24.750 0.000) 26.189 1.815 ( 20.902 15.888 0.000) 26.255 2.474 ( 3.621 14.940 0.000) 15.373 2.529 ( 3.133 17.212 0.000) 17.494 2.839 ( 10.242 10.246 0.000) 14.487 3.021 ( 14.141 15.412 0.000) 20.917 3.397 ( -7.097 -5.278 0.000) 8.845 3.463 ( 23.110 32.873 0.000) 40.184 3.496 ( -3.881 7.359 0.000) 8.320 3.619 ( -7.552 4.554 0.000) 8.819 3.733 ( 2.193 -1.585 0.000) 2.706 3.981 ( 1.216 6.837 0.000) 6.944 3.986 ( -4.728 -0.899 0.000) 4.812 4.323 ( 1.439 9.490 0.000) 9.598 4.331 ( -4.907 -7.863 0.000) 9.269 4.417 ( 8.104 -11.727 0.000) 14.255 4.507 ( -11.007 8.685 0.000) 14.021 4.740 ( 10.250 13.907 0.000) 17.276 4.791 ( 4.847 -4.357 0.000) 6.517 4.988 ( 6.233 8.484 0.000) 10.528 5.126 ( 1.802 2.083 0.000) 2.754 5.201 ( 2.568 2.408 0.000) 3.520 5.202 ( 2.540 9.413 0.000) 9.749 5.415 ( 18.071 18.372 0.000) 25.770 5.418 ( 3.728 15.261 0.000) 15.710 5.525 ( -1.574 4.814 0.000) 5.065 5.666 ( 10.424 10.809 0.000) 15.017 6.132 ( -15.144 -10.298 0.000) 18.314 6.209 ( -4.054 -3.037 0.000) 5.065 6.430 ( -2.018 3.172 0.000) 3.760 6.536 ( -12.019 -12.242 0.000) 17.156 6.695 ( -7.275 1.602 0.000) 7.449 6.701 ( 0.584 6.994 0.000) 7.018 6.880 ( -3.321 -4.102 0.000) 5.278 6.946 ( -5.126 -3.259 0.000) 6.074 6.984 ( -3.057 -0.751 0.000) 3.148 7.040 ( 2.459 -0.120 0.000) 2.462 7.161 ( -11.313 -9.550 0.000) 14.805 7.222 ( -5.122 -5.008 0.000) 7.164 7.351 ( 6.836 -0.326 0.000) 6.844 7.411 ( 7.561 -2.066 0.000) 7.838 7.597 ( 7.097 7.478 0.000) 10.310 7.665 ( 5.183 -0.996 0.000) 5.278 7.770 ( 9.144 -9.577 0.000) 13.241 7.915 ( -4.590 -5.176 0.000) 6.918 8.016 ( 3.064 -4.577 0.000) 5.508 8.139 ( 3.106 -1.185 0.000) 3.325 8.365 ( 0.303 -3.966 0.000) 3.978 8.411 ( -8.840 7.935 0.000) 11.879 8.550 ( 0.800 -6.569 0.000) 6.617 8.675 ( 5.627 13.000 0.000) 14.166 8.812 ( -1.116 -0.774 0.000) 1.358 8.960 ( 0.068 13.693 0.000) 13.693 9.197 ( -4.990 -4.612 0.000) 6.795 9.223 ( 7.694 -1.626 0.000) 7.864 9.396 ( -1.310 -4.047 0.000) 4.253 9.556 ( 0.056 9.720 0.000) 9.720 10.130 ( 2.034 0.199 0.000) 2.044 10.466 ( -5.334 -5.628 0.000) 7.754 10.746 ( -2.177 -5.615 0.000) 6.022 13.085 ( 2.897 7.879 0.000) 8.394 13.503 ( -0.138 4.152 0.000) 4.154 13.665 ( 7.368 -1.370 0.000) 7.494 13.809 ( 0.756 -2.582 0.000) 2.691 14.003 ( 2.371 6.584 0.000) 6.998 14.109 ( 2.665 5.986 0.000) 6.552 14.278 ( -1.384 1.666 0.000) 2.166 14.420 ( -7.149 9.264 0.000) 11.702 14.559 ( 4.052 -7.444 0.000) 8.475 14.596 ( 2.487 12.075 0.000) 12.329 14.735 ( 2.657 10.280 0.000) 10.618 14.968 ( 2.069 -5.005 0.000) 5.415 15.145 ( 0.954 7.978 0.000) 8.035 15.179 ( -4.861 11.826 0.000) 12.786 15.255 ( 2.743 4.392 0.000) 5.178 15.515 ( -6.353 1.348 0.000) 6.495 15.575 ( -1.039 6.214 0.000) 6.301 15.797 ( -7.424 2.658 0.000) 7.885 15.877 ( 0.774 0.712 0.000) 1.052 15.964 ( -8.615 -9.371 0.000) 12.730 16.040 ( -12.644 3.523 0.000) 13.126 16.080 ( -8.444 -3.118 0.000) 9.001 16.243 ( 6.683 9.151 0.000) 11.331 16.637 ( -1.004 8.947 0.000) 9.004 16.785 ( -14.112 -2.949 0.000) 14.417 16.917 ( -12.776 -4.883 0.000) 13.677 17.243 ( 8.184 13.039 0.000) 15.395 17.464 ( -18.738 -1.750 0.000) 18.820 17.525 ( -18.171 -0.721 0.000) 18.185 17.819 ( -15.200 -10.037 0.000) 18.215 17.939 ( -17.862 -7.612 0.000) 19.417 18.073 ( -11.440 -0.456 0.000) 11.449 18.163 ( -15.595 5.558 0.000) 16.556 18.564 ( -4.560 -9.332 0.000) 10.387 18.633 ( -10.607 5.660 0.000) 12.022 19.060 ( -11.296 -0.711 0.000) 11.318 19.724 ( 25.230 -6.211 0.000) 25.983 20.067 ( 10.544 -3.720 0.000) 11.181 20.378 ( 8.172 1.992 0.000) 8.412 20.426 ( 6.970 -5.550 0.000) 8.909 20.681 ( 3.673 3.532 0.000) 5.096 20.866 ( 3.793 -2.497 0.000) 4.541 20.939 ( 4.171 10.882 0.000) 11.654 21.066 ( 4.129 3.877 0.000) 5.664 21.117 ( 5.232 0.938 0.000) 5.316 21.347 ( -0.516 -2.065 0.000) 2.129 21.756 ( 1.154 -1.921 0.000) 2.242 21.758 ( 0.069 -2.702 0.000) 2.703 ======================= Grid point 25 (16/60) ======================= q-point: ( 0.27 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( 24.360 -0.768 0.000) 24.372 2.225 ( 21.434 3.742 0.000) 21.758 2.564 ( 6.487 10.638 0.000) 12.459 2.658 ( 9.903 13.750 0.000) 16.945 3.075 ( 12.819 7.712 0.000) 14.960 3.238 ( -6.200 -3.446 0.000) 7.093 3.336 ( 14.245 9.679 0.000) 17.223 3.449 ( -0.811 6.719 0.000) 6.768 3.489 ( -5.219 -4.724 0.000) 7.039 3.625 ( -2.035 6.138 0.000) 6.467 3.896 ( 6.510 3.230 0.000) 7.267 3.954 ( 2.130 -4.801 0.000) 5.252 3.999 ( -0.398 3.450 0.000) 3.473 4.278 ( -12.127 6.964 0.000) 13.984 4.288 ( 3.377 -9.819 0.000) 10.384 4.467 ( 14.266 25.075 0.000) 28.849 4.597 ( 9.498 -12.946 0.000) 16.056 4.834 ( -3.349 4.404 0.000) 5.532 4.917 ( 8.931 -0.965 0.000) 8.983 5.052 ( -2.750 3.143 0.000) 4.176 5.155 ( -3.670 0.109 0.000) 3.672 5.190 ( 4.995 0.284 0.000) 5.003 5.291 ( 8.489 6.069 0.000) 10.435 5.465 ( -3.237 4.500 0.000) 5.543 5.519 ( 1.539 5.473 0.000) 5.685 5.760 ( 15.703 14.675 0.000) 21.493 5.820 ( 5.243 7.618 0.000) 9.248 5.892 ( -6.877 0.437 0.000) 6.891 6.155 ( -1.927 -5.875 0.000) 6.183 6.297 ( -11.700 -15.442 0.000) 19.374 6.365 ( -4.381 0.968 0.000) 4.487 6.555 ( -7.105 4.739 0.000) 8.541 6.659 ( -7.647 -2.059 0.000) 7.920 6.755 ( -9.011 -6.449 0.000) 11.081 6.809 ( -3.925 -2.153 0.000) 4.477 6.929 ( -2.888 -2.576 0.000) 3.870 6.992 ( -5.826 -1.744 0.000) 6.081 7.017 ( -5.703 -3.780 0.000) 6.842 7.167 ( 1.210 3.274 0.000) 3.490 7.458 ( 1.222 -0.909 0.000) 1.523 7.497 ( 2.251 -0.380 0.000) 2.283 7.683 ( -8.680 -0.384 0.000) 8.689 7.735 ( 6.755 8.532 0.000) 10.882 7.846 ( 1.837 -3.152 0.000) 3.648 7.847 ( 0.876 -5.819 0.000) 5.885 8.159 ( 6.589 1.791 0.000) 6.828 8.167 ( 0.642 -0.696 0.000) 0.947 8.286 ( 0.786 3.813 0.000) 3.893 8.384 ( 0.573 -0.242 0.000) 0.623 8.556 ( -0.416 -3.216 0.000) 3.243 8.814 ( 0.752 0.294 0.000) 0.808 8.821 ( 8.054 9.239 0.000) 12.256 8.958 ( 0.579 16.267 0.000) 16.277 9.117 ( -1.976 -1.557 0.000) 2.516 9.369 ( -1.165 1.602 0.000) 1.981 9.383 ( 8.305 1.117 0.000) 8.380 9.604 ( 4.480 6.961 0.000) 8.278 10.146 ( -0.063 4.140 0.000) 4.140 10.335 ( -8.293 -3.742 0.000) 9.098 10.681 ( -4.655 -3.124 0.000) 5.606 13.147 ( 3.503 7.587 0.000) 8.356 13.462 ( -3.148 8.292 0.000) 8.869 13.818 ( 0.062 0.202 0.000) 0.211 13.841 ( 9.543 -8.514 0.000) 12.789 14.044 ( 1.996 5.343 0.000) 5.704 14.142 ( 0.313 3.763 0.000) 3.776 14.260 ( 0.009 4.242 0.000) 4.242 14.377 ( 2.792 0.391 0.000) 2.820 14.644 ( 2.254 12.461 0.000) 12.663 14.654 ( 5.482 -9.937 0.000) 11.349 14.797 ( 4.368 3.304 0.000) 5.477 14.939 ( -4.869 -8.794 0.000) 10.052 15.104 ( -4.550 14.730 0.000) 15.416 15.134 ( -2.100 6.876 0.000) 7.190 15.266 ( -3.313 -1.594 0.000) 3.677 15.437 ( -18.042 1.956 0.000) 18.148 15.441 ( 0.993 5.619 0.000) 5.706 15.532 ( -4.083 4.257 0.000) 5.899 15.744 ( -9.011 -8.175 0.000) 12.167 15.965 ( -4.381 -7.620 0.000) 8.790 15.970 ( 3.746 1.370 0.000) 3.989 16.033 ( 1.064 2.126 0.000) 2.377 16.293 ( -4.198 4.573 0.000) 6.207 16.452 ( -13.532 2.904 0.000) 13.840 16.619 ( -0.401 -2.809 0.000) 2.837 16.773 ( -5.044 2.321 0.000) 5.552 17.203 ( -9.333 2.005 0.000) 9.546 17.245 ( -4.983 1.112 0.000) 5.105 17.468 ( 7.588 12.785 0.000) 14.867 17.491 ( -16.619 -4.757 0.000) 17.286 17.575 ( -17.311 1.389 0.000) 17.367 17.834 ( -12.301 2.228 0.000) 12.501 17.874 ( -13.808 4.518 0.000) 14.528 18.370 ( -14.245 0.191 0.000) 14.246 18.387 ( -14.042 7.897 0.000) 16.110 18.796 ( -15.087 4.224 0.000) 15.667 20.147 ( 18.491 -4.645 0.000) 19.065 20.297 ( 12.087 -6.881 0.000) 13.908 20.527 ( 7.066 -2.361 0.000) 7.450 20.574 ( 7.794 -6.447 0.000) 10.115 20.746 ( 2.888 1.175 0.000) 3.118 20.928 ( 2.312 0.451 0.000) 2.356 21.031 ( 5.426 3.825 0.000) 6.639 21.138 ( 2.766 6.718 0.000) 7.265 21.230 ( 6.541 -5.771 0.000) 8.723 21.332 ( -0.881 -1.043 0.000) 1.365 21.745 ( -2.120 -2.160 0.000) 3.027 21.751 ( -0.954 -3.840 0.000) 3.957 ======================= Grid point 26 (17/60) ======================= q-point: ( 0.36 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.341 ( 28.124 -14.315 0.000) 31.557 2.629 ( 20.038 -5.277 0.000) 20.721 2.743 ( 12.769 2.980 0.000) 13.112 2.877 ( 11.946 9.225 0.000) 15.094 3.103 ( -6.442 -4.895 0.000) 8.091 3.251 ( 3.210 6.290 0.000) 7.062 3.399 ( -3.479 -2.872 0.000) 4.512 3.456 ( 2.148 4.178 0.000) 4.698 3.573 ( 7.341 10.446 0.000) 12.767 3.618 ( 0.781 0.748 0.000) 1.081 3.862 ( -3.713 -4.780 0.000) 6.053 4.002 ( -0.792 2.461 0.000) 2.586 4.042 ( -8.356 -1.037 0.000) 8.420 4.102 ( 8.162 -0.595 0.000) 8.184 4.370 ( 4.115 -10.997 0.000) 11.741 4.560 ( -18.608 -15.233 0.000) 24.048 4.782 ( 6.510 -7.784 0.000) 10.147 4.783 ( 9.757 14.332 0.000) 17.338 4.989 ( 3.580 10.508 0.000) 11.101 5.109 ( -2.580 -3.351 0.000) 4.230 5.127 ( 12.290 -3.072 0.000) 12.668 5.316 ( 7.273 -0.391 0.000) 7.283 5.376 ( -4.808 1.451 0.000) 5.023 5.441 ( -6.256 -3.469 0.000) 7.153 5.501 ( 9.738 -0.431 0.000) 9.748 5.813 ( -2.723 0.059 0.000) 2.723 5.911 ( 2.110 11.545 0.000) 11.736 5.917 ( 0.277 3.863 0.000) 3.873 6.133 ( -4.574 -9.621 0.000) 10.653 6.169 ( 1.962 -1.144 0.000) 2.271 6.292 ( -1.403 0.715 0.000) 1.574 6.426 ( -6.122 3.812 0.000) 7.212 6.477 ( -8.739 -4.228 0.000) 9.708 6.574 ( -9.050 -6.698 0.000) 11.259 6.753 ( -2.427 1.079 0.000) 2.656 6.868 ( -3.290 -1.150 0.000) 3.485 6.928 ( -1.341 3.013 0.000) 3.298 6.939 ( -2.374 -2.101 0.000) 3.170 7.211 ( 3.679 4.829 0.000) 6.071 7.396 ( -5.794 1.322 0.000) 5.943 7.441 ( -10.774 5.643 0.000) 12.162 7.550 ( -0.033 0.164 0.000) 0.168 7.759 ( -2.903 -5.384 0.000) 6.117 7.810 ( -6.418 -3.949 0.000) 7.535 7.963 ( 9.447 10.642 0.000) 14.230 8.180 ( 2.363 8.379 0.000) 8.705 8.227 ( 5.183 2.911 0.000) 5.945 8.372 ( -1.664 2.318 0.000) 2.854 8.459 ( 9.323 -2.011 0.000) 9.538 8.528 ( -2.213 -0.619 0.000) 2.298 8.786 ( -3.914 4.365 0.000) 5.863 8.871 ( -3.026 3.434 0.000) 4.577 9.046 ( 8.701 10.493 0.000) 13.632 9.192 ( 8.318 3.249 0.000) 8.930 9.368 ( 1.680 6.141 0.000) 6.366 9.510 ( 4.617 8.965 0.000) 10.084 9.709 ( 5.464 -0.018 0.000) 5.464 10.150 ( 1.456 7.704 0.000) 7.841 10.151 ( -10.661 -0.862 0.000) 10.696 10.565 ( -7.392 0.161 0.000) 7.393 13.216 ( 3.513 7.550 0.000) 8.327 13.398 ( -3.289 8.567 0.000) 9.177 13.818 ( 0.430 0.693 0.000) 0.815 13.990 ( 3.490 -8.141 0.000) 8.857 14.105 ( 4.679 0.694 0.000) 4.731 14.123 ( 0.474 -3.762 0.000) 3.792 14.293 ( 3.114 4.828 0.000) 5.745 14.478 ( 4.955 -2.143 0.000) 5.398 14.671 ( 1.344 8.146 0.000) 8.257 14.777 ( 6.608 -6.957 0.000) 9.595 14.843 ( -3.072 -5.570 0.000) 6.361 14.885 ( 2.118 -2.702 0.000) 3.433 14.933 ( -9.653 8.961 0.000) 13.172 15.004 ( -11.451 -2.313 0.000) 11.682 15.238 ( 2.285 -0.935 0.000) 2.469 15.268 ( -0.262 4.617 0.000) 4.624 15.397 ( -10.307 0.116 0.000) 10.307 15.497 ( 1.262 1.859 0.000) 2.247 15.588 ( -5.923 -1.386 0.000) 6.083 15.844 ( -7.206 -6.697 0.000) 9.837 16.025 ( -2.364 -0.909 0.000) 2.533 16.034 ( 1.795 -1.058 0.000) 2.084 16.158 ( -6.036 0.391 0.000) 6.049 16.247 ( -6.497 0.788 0.000) 6.544 16.685 ( 4.210 0.300 0.000) 4.221 16.756 ( 3.721 8.170 0.000) 8.977 17.040 ( -15.687 -0.437 0.000) 15.693 17.059 ( -7.781 1.203 0.000) 7.874 17.328 ( -4.024 7.739 0.000) 8.722 17.349 ( -0.445 2.360 0.000) 2.402 17.550 ( -4.824 8.582 0.000) 9.845 17.635 ( -7.180 4.968 0.000) 8.731 17.718 ( 1.137 11.567 0.000) 11.622 18.063 ( -16.793 6.368 0.000) 17.959 18.135 ( -10.632 9.355 0.000) 14.161 18.507 ( -14.567 7.850 0.000) 16.548 20.431 ( 11.134 -3.855 0.000) 11.782 20.498 ( 8.192 -7.544 0.000) 11.136 20.644 ( 5.192 -4.579 0.000) 6.923 20.711 ( 6.454 -5.630 0.000) 8.565 20.786 ( 1.130 -0.127 0.000) 1.137 20.947 ( -0.387 1.278 0.000) 1.335 21.135 ( 4.498 -2.063 0.000) 4.948 21.167 ( 0.490 4.822 0.000) 4.847 21.326 ( 0.938 1.138 0.000) 1.475 21.362 ( 6.720 -6.692 0.000) 9.484 21.683 ( -4.045 -2.485 0.000) 4.747 21.719 ( -2.397 -5.016 0.000) 5.559 ======================= Grid point 27 (18/60) ======================= q-point: ( 0.45 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( 13.572 -7.416 0.000) 15.467 2.918 ( 0.799 -4.341 0.000) 4.414 2.992 ( 5.245 -9.696 0.000) 11.024 3.080 ( 13.966 -13.251 0.000) 19.252 3.142 ( 12.671 4.156 0.000) 13.335 3.209 ( 1.033 -4.465 0.000) 4.583 3.381 ( -1.861 7.718 0.000) 7.939 3.482 ( -2.762 1.970 0.000) 3.393 3.576 ( -1.331 -3.400 0.000) 3.652 3.621 ( -1.701 7.566 0.000) 7.754 3.799 ( -3.775 4.872 0.000) 6.163 3.864 ( -10.466 -11.414 0.000) 15.486 4.019 ( 1.624 0.259 0.000) 1.644 4.062 ( -8.818 2.120 0.000) 9.069 4.420 ( 2.523 -12.164 0.000) 12.423 4.439 ( 4.010 -9.771 0.000) 10.561 4.864 ( 3.731 -4.444 0.000) 5.802 4.873 ( 5.117 -3.544 0.000) 6.224 5.048 ( -3.212 -11.814 0.000) 12.243 5.078 ( -4.285 3.746 0.000) 5.692 5.262 ( 1.191 -10.338 0.000) 10.407 5.329 ( -4.837 -9.802 0.000) 10.931 5.385 ( 8.993 3.713 0.000) 9.729 5.436 ( 3.642 1.701 0.000) 4.020 5.666 ( 6.633 2.580 0.000) 7.117 5.760 ( -3.254 4.784 0.000) 5.786 5.897 ( -0.583 5.295 0.000) 5.327 5.906 ( -1.322 7.907 0.000) 8.016 6.099 ( 0.008 -6.238 0.000) 6.238 6.130 ( -3.223 -7.481 0.000) 8.146 6.300 ( -0.331 1.372 0.000) 1.411 6.330 ( -3.656 0.782 0.000) 3.739 6.389 ( -0.078 -1.323 0.000) 1.325 6.433 ( -4.925 -3.489 0.000) 6.036 6.746 ( 1.957 4.699 0.000) 5.091 6.805 ( -3.385 3.149 0.000) 4.624 6.914 ( -0.324 -0.117 0.000) 0.344 6.917 ( -0.317 2.099 0.000) 2.123 7.246 ( -1.956 5.220 0.000) 5.575 7.267 ( -5.498 6.925 0.000) 8.842 7.380 ( 7.071 1.371 0.000) 7.202 7.526 ( -4.819 -0.654 0.000) 4.863 7.679 ( -3.997 0.307 0.000) 4.009 7.689 ( -3.312 -0.306 0.000) 3.326 8.145 ( 9.073 5.500 0.000) 10.610 8.260 ( 4.462 7.172 0.000) 8.447 8.280 ( -2.660 3.753 0.000) 4.600 8.321 ( -2.737 4.786 0.000) 5.514 8.520 ( 2.795 3.662 0.000) 4.607 8.572 ( 1.190 3.600 0.000) 3.791 8.713 ( -1.091 4.105 0.000) 4.248 8.778 ( -5.487 2.714 0.000) 6.122 9.220 ( 7.212 4.544 0.000) 8.524 9.286 ( 0.306 4.715 0.000) 4.725 9.467 ( 7.409 6.353 0.000) 9.760 9.557 ( -0.618 9.811 0.000) 9.830 9.792 ( 4.532 0.605 0.000) 4.572 9.941 ( -10.401 2.307 0.000) 10.654 10.236 ( 7.427 7.286 0.000) 10.404 10.403 ( -9.130 3.729 0.000) 9.862 13.280 ( 3.154 7.871 0.000) 8.479 13.338 ( -3.005 8.255 0.000) 8.785 13.850 ( 3.154 -1.877 0.000) 3.670 13.936 ( -5.324 -3.810 0.000) 6.547 14.213 ( 5.348 -4.633 0.000) 7.076 14.220 ( 5.380 -9.821 0.000) 11.198 14.367 ( 4.387 4.344 0.000) 6.174 14.460 ( -4.952 3.441 0.000) 6.030 14.697 ( -6.258 0.374 0.000) 6.269 14.727 ( -4.815 -5.405 0.000) 7.239 14.837 ( 1.338 -1.290 0.000) 1.858 14.846 ( 5.980 0.090 0.000) 5.981 14.865 ( -0.593 -3.116 0.000) 3.172 14.997 ( 1.311 0.214 0.000) 1.328 15.197 ( -4.058 -4.620 0.000) 6.149 15.297 ( 0.162 -4.041 0.000) 4.044 15.316 ( 2.846 1.536 0.000) 3.234 15.362 ( -8.561 -1.818 0.000) 8.752 15.618 ( 4.495 2.487 0.000) 5.137 15.717 ( -5.848 -2.124 0.000) 6.221 15.984 ( -0.893 -2.728 0.000) 2.871 16.003 ( -2.672 -4.574 0.000) 5.297 16.137 ( 1.609 2.938 0.000) 3.350 16.174 ( -2.311 1.821 0.000) 2.942 16.711 ( -0.464 3.594 0.000) 3.623 16.776 ( -7.841 4.586 0.000) 9.084 16.890 ( 6.217 5.186 0.000) 8.096 16.971 ( -1.459 2.082 0.000) 2.542 17.285 ( -2.927 4.963 0.000) 5.762 17.302 ( -4.063 2.001 0.000) 4.529 17.532 ( 7.016 11.183 0.000) 13.201 17.608 ( 3.800 9.161 0.000) 9.918 17.712 ( -4.821 11.240 0.000) 12.230 17.755 ( -14.625 9.879 0.000) 17.649 18.071 ( 4.966 10.948 0.000) 12.022 18.249 ( -11.960 10.301 0.000) 15.784 20.577 ( 4.120 -5.376 0.000) 6.773 20.597 ( 2.003 -7.163 0.000) 7.438 20.730 ( 3.788 -3.840 0.000) 5.394 20.783 ( -1.382 -2.504 0.000) 2.860 20.828 ( 5.391 -2.709 0.000) 6.033 20.913 ( -3.212 -0.451 0.000) 3.243 21.170 ( 0.188 2.918 0.000) 2.924 21.175 ( 0.091 -0.890 0.000) 0.894 21.391 ( 5.105 -0.585 0.000) 5.139 21.453 ( 0.952 -5.365 0.000) 5.449 21.619 ( -0.985 -3.563 0.000) 3.697 21.660 ( -3.503 -5.600 0.000) 6.605 ======================= Grid point 33 (19/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 0.000 34.726 0.000) 34.726 2.314 ( 0.000 33.609 0.000) 33.609 2.807 ( 0.000 13.730 0.000) 13.730 2.838 ( 0.000 14.649 0.000) 14.649 3.192 ( 0.000 20.415 0.000) 20.415 3.241 ( 0.000 19.773 0.000) 19.773 3.453 ( 0.000 50.343 0.000) 50.343 3.484 ( 0.000 -9.964 0.000) 9.964 3.511 ( 0.000 -11.998 0.000) 11.998 3.613 ( 0.000 -2.184 0.000) 2.184 3.951 ( 0.000 -26.855 0.000) 26.855 3.989 ( 0.000 5.803 0.000) 5.803 4.019 ( 0.000 -11.632 0.000) 11.632 4.360 ( 0.000 8.321 0.000) 8.321 4.544 ( 0.000 16.586 0.000) 16.586 4.597 ( 0.000 24.092 0.000) 24.092 4.665 ( 0.000 19.520 0.000) 19.520 4.870 ( 0.000 -0.522 0.000) 0.522 4.963 ( 0.000 3.971 0.000) 3.971 5.051 ( 0.000 17.118 0.000) 17.118 5.117 ( 0.000 6.901 0.000) 6.901 5.127 ( 0.000 0.903 0.000) 0.903 5.248 ( 0.000 7.962 0.000) 7.962 5.275 ( 0.000 7.315 0.000) 7.315 5.649 ( 0.000 19.474 0.000) 19.474 5.670 ( 0.000 20.079 0.000) 20.079 5.829 ( 0.000 21.373 0.000) 21.373 6.027 ( 0.000 -29.758 0.000) 29.758 6.443 ( 0.000 0.902 0.000) 0.902 6.513 ( 0.000 -21.803 0.000) 21.803 6.567 ( 0.000 3.223 0.000) 3.223 6.739 ( 0.000 -8.122 0.000) 8.122 6.886 ( 0.000 8.529 0.000) 8.529 6.987 ( 0.000 8.164 0.000) 8.164 7.012 ( 0.000 7.013 0.000) 7.013 7.015 ( 0.000 -4.706 0.000) 4.706 7.048 ( 0.000 -8.042 0.000) 8.042 7.057 ( 0.000 1.761 0.000) 1.761 7.236 ( 0.000 11.300 0.000) 11.300 7.328 ( 0.000 -5.582 0.000) 5.582 7.383 ( 0.000 3.932 0.000) 3.932 7.383 ( 0.000 -10.691 0.000) 10.691 7.406 ( 0.000 -1.018 0.000) 1.018 7.555 ( 0.000 -1.813 0.000) 1.813 7.673 ( 0.000 -7.148 0.000) 7.148 7.838 ( 0.000 -12.011 0.000) 12.011 7.923 ( 0.000 -1.350 0.000) 1.350 8.238 ( 0.000 -8.467 0.000) 8.467 8.282 ( 0.000 -13.236 0.000) 13.236 8.606 ( 0.000 -13.754 0.000) 13.754 8.781 ( 0.000 7.641 0.000) 7.641 8.886 ( 0.000 -5.537 0.000) 5.537 8.908 ( 0.000 15.035 0.000) 15.035 9.188 ( 0.000 -7.091 0.000) 7.091 9.207 ( 0.000 -8.937 0.000) 8.937 9.474 ( 0.000 22.904 0.000) 22.904 9.828 ( 0.000 -9.988 0.000) 9.988 9.873 ( 0.000 9.928 0.000) 9.928 10.402 ( 0.000 -10.017 0.000) 10.017 10.599 ( 0.000 -11.191 0.000) 11.191 13.159 ( 0.000 6.023 0.000) 6.023 13.341 ( 0.000 -0.826 0.000) 0.826 13.785 ( 0.000 2.035 0.000) 2.035 13.820 ( 0.000 8.827 0.000) 8.827 13.937 ( 0.000 -5.095 0.000) 5.095 14.032 ( 0.000 -0.680 0.000) 0.680 14.272 ( 0.000 -1.777 0.000) 1.777 14.689 ( 0.000 -10.703 0.000) 10.703 14.827 ( 0.000 18.600 0.000) 18.600 14.840 ( 0.000 14.470 0.000) 14.470 14.864 ( 0.000 19.152 0.000) 19.152 15.111 ( 0.000 15.511 0.000) 15.511 15.223 ( 0.000 18.155 0.000) 18.155 15.399 ( 0.000 6.704 0.000) 6.704 15.528 ( 0.000 -5.304 0.000) 5.304 15.622 ( 0.000 4.541 0.000) 4.541 15.724 ( 0.000 1.609 0.000) 1.609 15.733 ( 0.000 5.438 0.000) 5.438 15.859 ( 0.000 5.483 0.000) 5.483 16.023 ( 0.000 -4.113 0.000) 4.113 16.158 ( 0.000 0.065 0.000) 0.065 16.363 ( 0.000 -8.949 0.000) 8.949 16.404 ( 0.000 1.175 0.000) 1.175 16.863 ( 0.000 13.186 0.000) 13.186 16.906 ( 0.000 -13.254 0.000) 13.254 17.526 ( 0.000 5.361 0.000) 5.361 17.546 ( 0.000 -0.147 0.000) 0.147 17.684 ( 0.000 -4.912 0.000) 4.912 17.881 ( 0.000 -20.968 0.000) 20.968 18.046 ( 0.000 -12.197 0.000) 12.197 18.053 ( 0.000 -5.310 0.000) 5.310 18.082 ( 0.000 -9.178 0.000) 9.178 18.171 ( 0.000 -0.782 0.000) 0.782 18.387 ( 0.000 -15.646 0.000) 15.646 18.875 ( 0.000 7.249 0.000) 7.249 19.062 ( 0.000 16.904 0.000) 16.904 19.163 ( 0.000 -2.272 0.000) 2.272 20.075 ( 0.000 -13.854 0.000) 13.854 20.127 ( 0.000 9.021 0.000) 9.021 20.320 ( 0.000 7.954 0.000) 7.954 20.653 ( 0.000 -7.279 0.000) 7.279 20.767 ( 0.000 -6.683 0.000) 6.683 20.833 ( 0.000 11.734 0.000) 11.734 21.141 ( 0.000 12.743 0.000) 12.743 21.294 ( 0.000 -4.097 0.000) 4.097 21.358 ( 0.000 10.729 0.000) 10.729 21.576 ( 0.000 -3.799 0.000) 3.799 21.706 ( 0.000 -2.734 0.000) 2.734 ======================= Grid point 34 (20/60) ======================= q-point: ( 0.09 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 6.206 31.103 0.000) 31.716 2.250 ( -6.587 35.810 0.000) 36.410 2.834 ( 1.298 16.900 0.000) 16.949 2.860 ( 1.883 15.893 0.000) 16.004 3.028 ( -8.824 21.102 0.000) 22.873 3.202 ( 2.068 18.798 0.000) 18.912 3.397 ( -6.784 -8.074 0.000) 10.546 3.517 ( 0.789 -11.228 0.000) 11.256 3.648 ( 1.617 -0.238 0.000) 1.634 3.710 ( 10.991 22.877 0.000) 25.380 3.913 ( 1.955 -10.119 0.000) 10.306 4.010 ( -1.552 8.000 0.000) 8.150 4.038 ( 1.920 -13.693 0.000) 13.827 4.316 ( -14.805 14.508 0.000) 20.728 4.367 ( 1.591 10.308 0.000) 10.430 4.558 ( -2.023 15.421 0.000) 15.554 4.807 ( 4.089 11.328 0.000) 12.043 4.842 ( -12.570 10.745 0.000) 16.536 4.852 ( 0.024 6.217 0.000) 6.217 5.043 ( 5.995 7.919 0.000) 9.932 5.070 ( -3.812 -2.258 0.000) 4.430 5.190 ( 5.869 4.826 0.000) 7.599 5.290 ( 4.019 4.463 0.000) 6.006 5.475 ( 12.009 8.652 0.000) 14.801 5.674 ( 1.014 20.000 0.000) 20.026 5.734 ( 7.145 15.848 0.000) 17.384 5.786 ( -3.980 17.892 0.000) 18.329 6.018 ( -1.131 -20.496 0.000) 20.527 6.303 ( -10.754 -1.177 0.000) 10.819 6.416 ( -9.745 -21.551 0.000) 23.652 6.526 ( -3.671 1.751 0.000) 4.067 6.742 ( 0.638 -7.127 0.000) 7.155 6.909 ( -2.541 5.806 0.000) 6.338 6.925 ( -5.778 -0.366 0.000) 5.789 6.941 ( 3.285 6.391 0.000) 7.186 7.057 ( -2.307 -1.620 0.000) 2.819 7.103 ( -4.314 1.851 0.000) 4.694 7.158 ( 3.023 -1.982 0.000) 3.615 7.162 ( -3.843 -4.236 0.000) 5.720 7.267 ( -2.595 -1.230 0.000) 2.872 7.303 ( 6.062 -1.477 0.000) 6.240 7.405 ( 4.233 1.202 0.000) 4.400 7.560 ( 10.270 2.488 0.000) 10.567 7.585 ( 1.335 -3.030 0.000) 3.311 7.751 ( 5.514 -7.743 0.000) 9.505 7.919 ( 0.220 -1.216 0.000) 1.236 7.947 ( 7.750 -8.876 0.000) 11.783 8.235 ( 1.282 -5.876 0.000) 6.014 8.331 ( 4.118 -10.849 0.000) 11.604 8.621 ( 0.060 -7.258 0.000) 7.258 8.756 ( -1.888 4.205 0.000) 4.610 8.891 ( -1.069 11.123 0.000) 11.174 8.911 ( 3.532 -5.389 0.000) 6.443 9.174 ( -1.985 -3.995 0.000) 4.461 9.244 ( 3.902 -7.015 0.000) 8.027 9.444 ( -2.960 19.753 0.000) 19.974 9.754 ( -2.350 4.532 0.000) 5.105 9.996 ( 7.313 -0.593 0.000) 7.337 10.384 ( -1.866 -9.673 0.000) 9.851 10.600 ( 0.133 -10.815 0.000) 10.816 13.181 ( 2.173 6.451 0.000) 6.807 13.382 ( 4.138 -1.516 0.000) 4.407 13.775 ( -0.693 1.087 0.000) 1.289 13.804 ( -1.496 8.421 0.000) 8.553 13.987 ( 4.905 -5.190 0.000) 7.141 14.047 ( 1.465 -0.003 0.000) 1.465 14.272 ( 0.083 -1.551 0.000) 1.553 14.698 ( 0.587 -9.769 0.000) 9.787 14.731 ( -6.738 15.622 0.000) 17.013 14.847 ( 0.253 14.407 0.000) 14.409 14.907 ( -11.326 16.767 0.000) 20.233 14.933 ( 2.189 14.475 0.000) 14.639 15.330 ( -0.224 8.940 0.000) 8.943 15.389 ( 3.849 12.496 0.000) 13.075 15.507 ( -9.200 6.255 0.000) 11.125 15.552 ( 1.094 -3.502 0.000) 3.669 15.682 ( -0.454 3.664 0.000) 3.692 15.786 ( 1.545 -2.410 0.000) 2.863 15.879 ( 1.675 3.832 0.000) 4.183 16.029 ( 0.574 -2.505 0.000) 2.570 16.152 ( -18.335 1.404 0.000) 18.389 16.235 ( 7.351 3.199 0.000) 8.017 16.518 ( 11.748 -4.037 0.000) 12.423 16.571 ( -25.742 -8.241 0.000) 27.029 17.022 ( 3.788 10.271 0.000) 10.947 17.273 ( -20.355 2.522 0.000) 20.510 17.365 ( -9.094 2.903 0.000) 9.546 17.710 ( -13.266 -6.733 0.000) 14.877 17.803 ( -17.726 -6.829 0.000) 18.996 17.854 ( -6.632 -7.694 0.000) 10.157 17.989 ( 9.742 -14.635 0.000) 17.581 18.009 ( -7.699 -8.562 0.000) 11.514 18.300 ( 5.570 -5.209 0.000) 7.626 18.454 ( -3.723 -5.129 0.000) 6.338 18.831 ( -2.801 4.810 0.000) 5.567 19.120 ( -4.138 -3.609 0.000) 5.491 19.260 ( 19.100 10.670 0.000) 21.878 20.019 ( -1.888 -0.588 0.000) 1.978 20.196 ( 4.642 -3.912 0.000) 6.070 20.341 ( 2.058 4.633 0.000) 5.069 20.707 ( 5.182 -4.717 0.000) 7.007 20.785 ( -0.613 6.346 0.000) 6.376 20.867 ( 5.473 -2.530 0.000) 6.030 21.106 ( -2.716 6.801 0.000) 7.324 21.311 ( -2.659 10.535 0.000) 10.865 21.325 ( 2.358 0.867 0.000) 2.512 21.644 ( 4.596 -3.438 0.000) 5.740 21.704 ( -0.269 -3.140 0.000) 3.151 ======================= Grid point 35 (21/60) ======================= q-point: ( 0.18 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -8.044 34.616 0.000) 35.538 2.180 ( 8.714 21.916 0.000) 23.585 2.805 ( -1.583 17.886 0.000) 17.956 2.898 ( 2.284 18.120 0.000) 18.264 3.045 ( 7.431 11.857 0.000) 13.993 3.239 ( -4.537 -7.215 0.000) 8.523 3.344 ( 8.214 16.392 0.000) 18.335 3.481 ( -5.749 -11.331 0.000) 12.706 3.646 ( -1.766 4.187 0.000) 4.544 3.749 ( -0.552 -13.841 0.000) 13.852 3.915 ( -6.500 13.353 0.000) 14.851 4.029 ( -8.847 4.414 0.000) 9.887 4.074 ( 7.582 12.890 0.000) 14.954 4.116 ( 0.383 -15.397 0.000) 15.402 4.373 ( -5.130 11.913 0.000) 12.971 4.619 ( 11.533 19.473 0.000) 22.632 4.684 ( -8.646 6.677 0.000) 10.924 4.706 ( 0.659 -2.430 0.000) 2.518 4.938 ( -8.120 -4.990 0.000) 9.531 5.025 ( 8.650 4.842 0.000) 9.913 5.164 ( 5.620 6.936 0.000) 8.927 5.275 ( 0.961 -0.410 0.000) 1.045 5.312 ( -3.463 0.203 0.000) 3.469 5.587 ( 0.085 1.927 0.000) 1.928 5.693 ( -6.558 8.730 0.000) 10.919 5.805 ( 11.834 20.961 0.000) 24.071 5.844 ( 1.939 2.954 0.000) 3.534 5.999 ( 1.119 0.773 0.000) 1.360 6.127 ( -5.916 -3.017 0.000) 6.641 6.202 ( -9.920 -15.853 0.000) 18.701 6.453 ( -3.971 -0.701 0.000) 4.033 6.746 ( -2.529 -0.320 0.000) 2.550 6.820 ( -3.612 -9.958 0.000) 10.593 6.837 ( -10.627 0.810 0.000) 10.658 6.869 ( -2.124 2.858 0.000) 3.561 6.870 ( -12.253 0.008 0.000) 12.253 7.070 ( 1.420 3.135 0.000) 3.441 7.117 ( -3.142 3.146 0.000) 4.446 7.185 ( -0.994 -0.755 0.000) 1.248 7.356 ( 7.079 -3.694 0.000) 7.985 7.394 ( 6.094 2.762 0.000) 6.691 7.586 ( 7.963 -6.602 0.000) 10.344 7.613 ( 2.029 -4.928 0.000) 5.330 7.748 ( 9.951 5.485 0.000) 11.363 7.807 ( -0.539 -6.631 0.000) 6.653 7.973 ( 6.398 2.001 0.000) 6.704 8.041 ( 2.467 -8.026 0.000) 8.397 8.321 ( 6.485 0.805 0.000) 6.534 8.424 ( 5.340 -6.189 0.000) 8.174 8.556 ( -6.138 5.381 0.000) 8.163 8.755 ( 1.968 -1.503 0.000) 2.477 8.899 ( 2.585 7.637 0.000) 8.062 9.044 ( 9.645 -4.164 0.000) 10.506 9.120 ( -3.284 -4.091 0.000) 5.246 9.332 ( 4.750 -0.123 0.000) 4.751 9.382 ( -2.696 14.674 0.000) 14.920 9.749 ( 1.360 9.705 0.000) 9.799 10.122 ( 5.558 -0.018 0.000) 5.558 10.330 ( -3.770 -8.484 0.000) 9.284 10.602 ( -0.066 -9.306 0.000) 9.306 13.237 ( 3.455 7.566 0.000) 8.317 13.485 ( 5.956 -2.606 0.000) 6.501 13.771 ( -1.611 7.719 0.000) 7.886 13.772 ( 0.483 -0.760 0.000) 0.900 14.084 ( 2.323 1.011 0.000) 2.533 14.106 ( 6.843 -5.309 0.000) 8.661 14.277 ( 0.449 -0.964 0.000) 1.064 14.598 ( -6.732 10.943 0.000) 12.848 14.614 ( -11.175 8.942 0.000) 14.313 14.736 ( -0.736 -8.720 0.000) 8.751 14.907 ( 1.856 15.384 0.000) 15.495 14.920 ( -3.250 7.785 0.000) 8.436 15.267 ( -4.360 1.274 0.000) 4.543 15.379 ( -3.190 7.191 0.000) 7.867 15.434 ( -3.228 8.259 0.000) 8.868 15.571 ( 1.698 5.843 0.000) 6.085 15.670 ( -1.420 4.513 0.000) 4.731 15.774 ( -4.699 -4.948 0.000) 6.824 15.802 ( -12.834 -2.152 0.000) 13.013 15.938 ( 1.935 2.510 0.000) 3.169 16.032 ( -17.920 -2.058 0.000) 18.038 16.057 ( -4.777 -0.695 0.000) 4.828 16.425 ( 10.588 9.162 0.000) 14.002 16.757 ( -20.445 0.408 0.000) 20.449 16.773 ( 10.006 -0.407 0.000) 10.014 16.837 ( -22.015 1.148 0.000) 22.045 17.403 ( -15.440 -4.570 0.000) 16.102 17.447 ( -13.294 -1.329 0.000) 13.360 17.496 ( 8.352 6.346 0.000) 10.490 17.651 ( -12.648 -6.473 0.000) 14.208 17.813 ( -11.493 -3.779 0.000) 12.099 18.066 ( -4.384 -0.547 0.000) 4.418 18.257 ( -13.884 2.914 0.000) 14.186 18.378 ( 2.529 -9.459 0.000) 9.791 18.727 ( -8.546 4.358 0.000) 9.593 19.005 ( -8.106 -4.351 0.000) 9.199 19.695 ( 23.447 3.237 0.000) 23.669 20.053 ( 5.542 1.187 0.000) 5.668 20.301 ( 6.463 -6.881 0.000) 9.440 20.391 ( 2.941 -1.111 0.000) 3.144 20.769 ( -0.248 5.587 0.000) 5.592 20.829 ( 6.804 -0.812 0.000) 6.853 20.999 ( 7.225 -4.562 0.000) 8.545 21.059 ( -1.993 0.631 0.000) 2.091 21.284 ( -0.438 9.537 0.000) 9.547 21.362 ( 1.329 4.499 0.000) 4.691 21.693 ( -0.974 -4.066 0.000) 4.181 21.702 ( 1.068 -3.646 0.000) 3.799 ======================= Grid point 36 (22/60) ======================= q-point: ( 0.27 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 2.407 20.637 0.000) 20.777 2.359 ( 10.142 10.951 0.000) 14.925 2.812 ( 1.846 13.809 0.000) 13.932 2.949 ( 2.041 9.723 0.000) 9.935 3.157 ( -2.135 1.144 0.000) 2.422 3.234 ( 11.612 9.205 0.000) 14.817 3.326 ( -8.630 -11.793 0.000) 14.613 3.506 ( 1.617 4.837 0.000) 5.100 3.654 ( 6.712 13.757 0.000) 15.307 3.739 ( -1.909 -7.265 0.000) 7.511 3.806 ( -4.052 6.277 0.000) 7.471 3.887 ( -2.920 -0.767 0.000) 3.019 4.133 ( -1.594 -20.379 0.000) 20.441 4.135 ( -0.645 6.252 0.000) 6.285 4.248 ( -5.012 5.275 0.000) 7.277 4.555 ( -3.493 7.001 0.000) 7.824 4.695 ( -15.347 -13.281 0.000) 20.296 4.790 ( 6.487 -6.735 0.000) 9.351 4.951 ( 18.922 18.578 0.000) 26.517 5.125 ( -10.037 -2.082 0.000) 10.251 5.205 ( -5.824 -6.406 0.000) 8.658 5.207 ( 6.212 6.484 0.000) 8.980 5.283 ( 3.110 -4.214 0.000) 5.237 5.490 ( -12.244 -8.275 0.000) 14.778 5.559 ( -3.050 7.906 0.000) 8.474 5.837 ( -0.515 0.488 0.000) 0.709 5.933 ( 0.438 0.063 0.000) 0.442 6.072 ( -0.652 3.352 0.000) 3.415 6.081 ( 1.316 1.665 0.000) 2.122 6.178 ( 10.751 11.801 0.000) 15.964 6.357 ( -6.225 -2.107 0.000) 6.572 6.619 ( -11.150 -1.358 0.000) 11.232 6.631 ( -7.328 -1.088 0.000) 7.408 6.646 ( -9.389 -0.450 0.000) 9.399 6.825 ( 0.206 -4.272 0.000) 4.277 6.841 ( -1.138 5.043 0.000) 5.170 7.017 ( -4.672 2.614 0.000) 5.354 7.052 ( -3.311 4.574 0.000) 5.646 7.206 ( 2.528 0.733 0.000) 2.632 7.466 ( 4.267 -3.147 0.000) 5.302 7.477 ( 0.846 3.208 0.000) 3.317 7.634 ( -0.388 -9.499 0.000) 9.507 7.637 ( -1.680 -5.987 0.000) 6.218 7.748 ( -4.075 -5.848 0.000) 7.128 7.977 ( 12.582 8.579 0.000) 15.229 8.109 ( 5.826 -3.221 0.000) 6.657 8.157 ( 11.521 1.627 0.000) 11.635 8.420 ( 3.593 3.099 0.000) 4.744 8.437 ( -5.004 8.460 0.000) 9.829 8.507 ( 2.182 -2.241 0.000) 3.128 8.810 ( 3.035 0.051 0.000) 3.036 8.974 ( 1.577 4.960 0.000) 5.205 9.091 ( 3.904 -1.023 0.000) 4.036 9.206 ( 4.293 6.010 0.000) 7.386 9.397 ( 6.618 4.050 0.000) 7.759 9.416 ( 3.879 4.028 0.000) 5.593 9.785 ( 1.804 10.049 0.000) 10.210 10.212 ( 4.009 3.128 0.000) 5.085 10.239 ( -5.627 -6.162 0.000) 8.345 10.592 ( -1.197 -6.237 0.000) 6.351 13.307 ( 3.766 8.673 0.000) 9.456 13.574 ( 2.148 1.078 0.000) 2.403 13.767 ( 2.181 2.300 0.000) 3.169 13.792 ( 1.333 -1.964 0.000) 2.374 14.128 ( 1.577 2.279 0.000) 2.771 14.196 ( -0.161 -0.067 0.000) 0.175 14.295 ( 1.808 -1.781 0.000) 2.538 14.435 ( -5.665 5.165 0.000) 7.666 14.511 ( -0.319 -0.340 0.000) 0.466 14.723 ( -1.442 -11.347 0.000) 11.438 14.857 ( -1.893 2.922 0.000) 3.482 14.920 ( -0.474 14.343 0.000) 14.351 15.160 ( -8.573 -3.639 0.000) 9.313 15.271 ( -9.277 2.301 0.000) 9.558 15.360 ( 0.085 7.047 0.000) 7.047 15.453 ( -22.260 1.680 0.000) 22.323 15.554 ( -3.652 -2.756 0.000) 4.575 15.604 ( -7.488 3.316 0.000) 8.189 15.706 ( 1.253 11.391 0.000) 11.459 15.806 ( -4.317 -7.561 0.000) 8.706 15.987 ( 2.107 0.431 0.000) 2.150 16.076 ( 0.076 2.112 0.000) 2.114 16.374 ( -15.254 1.594 0.000) 15.337 16.431 ( -16.850 -3.342 0.000) 17.178 16.632 ( 7.147 5.583 0.000) 9.069 16.906 ( 1.663 8.732 0.000) 8.889 17.192 ( -9.080 -2.333 0.000) 9.374 17.194 ( -6.744 -5.775 0.000) 8.879 17.427 ( -8.199 -1.523 0.000) 8.339 17.551 ( -8.198 -1.736 0.000) 8.380 17.751 ( 7.510 14.293 0.000) 16.146 17.909 ( -9.589 4.737 0.000) 10.695 17.987 ( -12.542 5.383 0.000) 13.648 18.346 ( -6.159 -3.171 0.000) 6.927 18.520 ( -12.226 5.995 0.000) 13.617 18.815 ( -11.072 -2.174 0.000) 11.283 20.105 ( 18.457 0.450 0.000) 18.463 20.206 ( 9.232 -1.968 0.000) 9.439 20.442 ( 7.971 -7.147 0.000) 10.706 20.452 ( 3.500 -5.179 0.000) 6.251 20.779 ( 0.977 2.539 0.000) 2.721 20.944 ( 4.242 1.244 0.000) 4.421 21.035 ( 0.166 -2.990 0.000) 2.995 21.130 ( 6.325 -4.441 0.000) 7.728 21.279 ( -0.288 7.425 0.000) 7.430 21.375 ( 0.125 5.018 0.000) 5.020 21.664 ( -2.081 -5.061 0.000) 5.472 21.687 ( -2.348 -3.755 0.000) 4.428 ======================= Grid point 37 (23/60) ======================= q-point: ( 0.36 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.200 ( 15.304 1.189 0.000) 15.350 2.578 ( 12.518 0.998 0.000) 12.557 2.862 ( 3.347 8.075 0.000) 8.741 2.934 ( -3.720 -5.774 0.000) 6.869 3.167 ( 2.542 11.546 0.000) 11.823 3.181 ( -6.463 -11.290 0.000) 13.009 3.466 ( 11.387 8.006 0.000) 13.920 3.500 ( -0.050 -1.669 0.000) 1.669 3.649 ( -7.103 0.451 0.000) 7.118 3.671 ( -5.506 -3.126 0.000) 6.332 3.781 ( 1.966 0.107 0.000) 1.969 3.926 ( -2.221 -0.676 0.000) 2.321 4.081 ( -4.158 3.590 0.000) 5.493 4.133 ( 8.564 -4.676 0.000) 9.757 4.195 ( -1.657 -6.826 0.000) 7.024 4.358 ( -15.790 -0.934 0.000) 15.817 4.611 ( 5.805 -6.574 0.000) 8.770 4.807 ( -5.240 -4.449 0.000) 6.874 4.961 ( -13.768 -13.480 0.000) 19.269 5.020 ( 1.316 -11.175 0.000) 11.252 5.252 ( -7.779 -12.332 0.000) 14.580 5.287 ( 3.517 8.377 0.000) 9.086 5.325 ( 9.183 -2.063 0.000) 9.412 5.414 ( 7.015 7.329 0.000) 10.146 5.496 ( -0.217 6.170 0.000) 6.173 5.839 ( 0.355 2.240 0.000) 2.268 5.948 ( 1.994 0.684 0.000) 2.108 6.021 ( -1.822 1.772 0.000) 2.542 6.113 ( -1.967 1.724 0.000) 2.615 6.192 ( -8.727 0.029 0.000) 8.727 6.392 ( 7.111 8.364 0.000) 10.978 6.432 ( -7.333 0.812 0.000) 7.378 6.487 ( -7.211 -0.105 0.000) 7.212 6.509 ( -4.845 4.347 0.000) 6.510 6.821 ( -0.169 -3.048 0.000) 3.053 6.826 ( -0.264 5.526 0.000) 5.532 6.948 ( -1.944 2.011 0.000) 2.797 7.001 ( -1.842 4.006 0.000) 4.410 7.270 ( 4.365 0.728 0.000) 4.425 7.419 ( -5.053 2.803 0.000) 5.778 7.522 ( -2.872 1.503 0.000) 3.242 7.529 ( -3.516 -1.903 0.000) 3.998 7.642 ( 0.585 -6.101 0.000) 6.129 7.677 ( -3.776 -8.597 0.000) 9.390 8.165 ( 5.933 9.609 0.000) 11.293 8.262 ( 8.781 1.701 0.000) 8.944 8.344 ( 5.550 5.925 0.000) 8.118 8.444 ( 8.214 1.708 0.000) 8.390 8.455 ( -1.256 4.307 0.000) 4.487 8.516 ( 1.189 -0.609 0.000) 1.335 8.838 ( -0.978 1.777 0.000) 2.029 8.925 ( -4.412 1.499 0.000) 4.660 9.245 ( 2.360 9.132 0.000) 9.432 9.266 ( 10.143 4.263 0.000) 11.002 9.481 ( 3.323 5.364 0.000) 6.310 9.593 ( 11.306 0.111 0.000) 11.306 9.797 ( -1.062 8.039 0.000) 8.108 10.116 ( -7.162 -2.813 0.000) 7.694 10.286 ( 4.043 6.388 0.000) 7.560 10.550 ( -3.174 -1.879 0.000) 3.689 13.379 ( 3.707 9.100 0.000) 9.826 13.564 ( -2.289 7.345 0.000) 7.694 13.812 ( 0.679 -1.206 0.000) 1.384 13.851 ( 5.212 -4.792 0.000) 7.080 14.101 ( -6.781 0.497 0.000) 6.799 14.126 ( -0.959 1.257 0.000) 1.581 14.338 ( 2.501 -1.528 0.000) 2.931 14.428 ( 3.540 -2.421 0.000) 4.289 14.600 ( 7.376 -6.858 0.000) 10.071 14.680 ( -2.450 -6.771 0.000) 7.201 14.864 ( 1.024 -0.220 0.000) 1.047 14.877 ( -6.839 3.132 0.000) 7.523 14.941 ( -7.434 1.778 0.000) 7.644 15.071 ( -14.708 3.580 0.000) 15.137 15.201 ( 0.338 -2.237 0.000) 2.263 15.329 ( -7.970 -2.699 0.000) 8.414 15.408 ( -7.717 5.126 0.000) 9.264 15.460 ( -6.424 -2.589 0.000) 6.926 15.726 ( -0.115 10.937 0.000) 10.937 15.747 ( -2.268 -2.377 0.000) 3.286 15.986 ( -2.691 -2.064 0.000) 3.391 16.029 ( -4.799 0.864 0.000) 4.876 16.167 ( -5.067 -1.978 0.000) 5.439 16.222 ( -5.290 -3.349 0.000) 6.261 16.742 ( 4.643 5.941 0.000) 7.540 16.918 ( 0.964 7.252 0.000) 7.316 17.045 ( -7.894 1.290 0.000) 7.999 17.076 ( -4.303 0.979 0.000) 4.413 17.382 ( 0.583 1.540 0.000) 1.646 17.447 ( -1.974 3.914 0.000) 4.383 17.737 ( -6.196 9.679 0.000) 11.492 17.762 ( -4.326 6.792 0.000) 8.053 17.936 ( 3.979 10.416 0.000) 11.150 18.165 ( -11.677 3.727 0.000) 12.258 18.297 ( -9.232 7.534 0.000) 11.916 18.600 ( -10.956 1.410 0.000) 11.047 20.369 ( 6.982 -5.083 0.000) 8.636 20.380 ( 9.403 -1.424 0.000) 9.510 20.535 ( 5.646 -6.130 0.000) 8.334 20.596 ( 7.737 -5.969 0.000) 9.772 20.793 ( 0.280 0.983 0.000) 1.022 20.952 ( -2.351 -1.638 0.000) 2.865 21.094 ( 4.628 -0.921 0.000) 4.719 21.231 ( 2.748 -2.165 0.000) 3.498 21.281 ( 1.861 2.342 0.000) 2.991 21.375 ( 0.055 3.457 0.000) 3.457 21.613 ( -3.156 -5.734 0.000) 6.545 21.622 ( -4.050 -3.636 0.000) 5.443 ======================= Grid point 38 (24/60) ======================= q-point: ( 0.45 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.544 ( 18.011 -11.557 0.000) 21.400 2.804 ( -3.562 -10.153 0.000) 10.760 2.823 ( 5.498 -5.322 0.000) 7.652 2.941 ( 2.452 -3.263 0.000) 4.082 3.081 ( -1.042 -6.768 0.000) 6.847 3.220 ( -2.245 -2.859 0.000) 3.635 3.376 ( -6.604 -2.602 0.000) 7.098 3.481 ( -9.526 3.848 0.000) 10.274 3.626 ( 4.552 5.813 0.000) 7.383 3.640 ( 2.211 -0.432 0.000) 2.253 3.873 ( 4.555 0.899 0.000) 4.643 3.881 ( 0.152 7.187 0.000) 7.189 4.009 ( -1.272 0.722 0.000) 1.462 4.104 ( -9.789 -0.318 0.000) 9.794 4.173 ( 1.203 -12.170 0.000) 12.229 4.250 ( -1.984 -9.543 0.000) 9.747 4.754 ( 4.505 -8.574 0.000) 9.685 4.761 ( 0.763 -8.038 0.000) 8.074 4.833 ( 6.386 -5.095 0.000) 8.169 5.029 ( -0.540 -11.301 0.000) 11.314 5.093 ( -6.929 -12.245 0.000) 14.070 5.097 ( -14.234 0.765 0.000) 14.255 5.550 ( 5.344 7.250 0.000) 9.007 5.559 ( 5.688 9.977 0.000) 11.485 5.612 ( 11.724 -6.361 0.000) 13.338 5.806 ( -5.714 -0.895 0.000) 5.784 5.993 ( -1.322 0.023 0.000) 1.322 5.995 ( 2.365 3.642 0.000) 4.343 6.036 ( -6.202 -1.785 0.000) 6.454 6.038 ( -3.071 0.180 0.000) 3.077 6.335 ( -1.545 0.751 0.000) 1.718 6.369 ( -4.557 1.143 0.000) 4.698 6.460 ( -0.481 8.369 0.000) 8.383 6.465 ( 0.264 9.491 0.000) 9.494 6.830 ( 0.817 -0.650 0.000) 1.044 6.833 ( 0.627 3.540 0.000) 3.595 6.944 ( 1.140 2.135 0.000) 2.420 6.973 ( -1.462 3.353 0.000) 3.658 7.343 ( -0.843 2.831 0.000) 2.954 7.380 ( 5.928 1.431 0.000) 6.098 7.386 ( -5.462 4.329 0.000) 6.970 7.497 ( -4.897 -1.610 0.000) 5.155 7.629 ( -0.419 -4.605 0.000) 4.624 7.639 ( -0.753 -4.067 0.000) 4.136 8.248 ( 4.407 5.006 0.000) 6.670 8.341 ( -3.625 2.388 0.000) 4.341 8.421 ( 2.428 8.117 0.000) 8.472 8.424 ( 1.451 5.365 0.000) 5.558 8.596 ( 6.423 3.501 0.000) 7.315 8.629 ( 7.822 1.925 0.000) 8.055 8.770 ( -4.597 1.970 0.000) 5.001 8.821 ( -6.305 1.447 0.000) 6.468 9.317 ( 4.404 5.120 0.000) 6.754 9.372 ( 0.038 3.848 0.000) 3.848 9.589 ( 8.012 6.031 0.000) 10.028 9.730 ( -5.475 7.597 0.000) 9.364 9.798 ( 9.338 0.148 0.000) 9.339 9.967 ( -8.229 0.267 0.000) 8.233 10.374 ( 5.021 6.514 0.000) 8.224 10.471 ( -4.855 2.936 0.000) 5.674 13.448 ( 3.400 9.103 0.000) 9.717 13.510 ( -3.085 8.911 0.000) 9.430 13.830 ( 1.781 -0.144 0.000) 1.787 13.885 ( -2.842 -1.556 0.000) 3.240 14.056 ( 3.451 -6.659 0.000) 7.500 14.115 ( -1.042 -5.330 0.000) 5.431 14.390 ( 2.758 -2.715 0.000) 3.870 14.449 ( -2.822 -4.368 0.000) 5.200 14.643 ( -1.888 -2.486 0.000) 3.122 14.675 ( -3.583 -0.940 0.000) 3.704 14.804 ( 5.909 -3.421 0.000) 6.828 14.806 ( 1.669 -4.301 0.000) 4.614 14.879 ( -2.583 3.362 0.000) 4.240 15.007 ( -5.875 0.798 0.000) 5.929 15.111 ( -0.932 -2.594 0.000) 2.756 15.221 ( -1.907 -1.822 0.000) 2.638 15.326 ( -4.265 -2.127 0.000) 4.766 15.347 ( -2.577 1.465 0.000) 2.965 15.707 ( -1.003 5.731 0.000) 5.818 15.711 ( -1.336 1.362 0.000) 1.908 15.932 ( -1.530 -2.796 0.000) 3.187 15.944 ( -2.883 -1.685 0.000) 3.340 16.141 ( 0.712 -2.154 0.000) 2.269 16.166 ( -1.735 -2.353 0.000) 2.923 16.819 ( 3.326 6.959 0.000) 7.713 16.886 ( -4.081 6.082 0.000) 7.324 16.992 ( 1.557 4.819 0.000) 5.065 17.019 ( -1.538 2.714 0.000) 3.119 17.376 ( -0.467 5.012 0.000) 5.034 17.403 ( -3.044 6.170 0.000) 6.880 17.740 ( 6.688 9.628 0.000) 11.723 17.774 ( 4.992 7.492 0.000) 9.003 17.905 ( -6.893 8.371 0.000) 10.843 17.931 ( -11.897 7.740 0.000) 14.193 18.257 ( 4.884 8.200 0.000) 9.544 18.403 ( -9.303 5.349 0.000) 10.731 20.461 ( 2.629 -6.255 0.000) 6.785 20.472 ( 1.515 -5.251 0.000) 5.465 20.658 ( 5.753 -3.211 0.000) 6.589 20.711 ( 2.046 -4.151 0.000) 4.628 20.801 ( 2.175 -0.555 0.000) 2.245 20.883 ( -4.564 -2.398 0.000) 5.156 21.175 ( 3.470 0.908 0.000) 3.587 21.225 ( -1.751 2.685 0.000) 3.205 21.355 ( 3.604 -4.417 0.000) 5.701 21.382 ( 0.395 -0.443 0.000) 0.593 21.550 ( -2.660 -3.357 0.000) 4.283 21.552 ( -2.595 -5.157 0.000) 5.773 ======================= Grid point 44 (25/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.630 ( 0.000 33.687 0.000) 33.687 2.897 ( 0.000 25.532 0.000) 25.532 3.031 ( 0.000 10.742 0.000) 10.742 3.092 ( 0.000 12.071 0.000) 12.071 3.236 ( 0.000 -10.454 0.000) 10.454 3.240 ( 0.000 -19.595 0.000) 19.595 3.377 ( 0.000 -18.971 0.000) 18.971 3.393 ( 0.000 -18.819 0.000) 18.819 3.614 ( 0.000 17.695 0.000) 17.695 3.618 ( 0.000 11.087 0.000) 11.087 3.828 ( 0.000 -9.247 0.000) 9.247 3.900 ( 0.000 -10.637 0.000) 10.637 4.376 ( 0.000 41.129 0.000) 41.129 4.559 ( 0.000 11.284 0.000) 11.284 4.765 ( 0.000 -8.997 0.000) 8.997 4.793 ( 0.000 3.927 0.000) 3.927 4.945 ( 0.000 7.519 0.000) 7.519 5.009 ( 0.000 0.052 0.000) 0.052 5.031 ( 0.000 17.399 0.000) 17.399 5.182 ( 0.000 -0.075 0.000) 0.075 5.226 ( 0.000 -2.313 0.000) 2.313 5.236 ( 0.000 8.775 0.000) 8.775 5.343 ( 0.000 -0.945 0.000) 0.945 5.423 ( 0.000 -29.455 0.000) 29.455 5.510 ( 0.000 24.889 0.000) 24.889 6.036 ( 0.000 -27.275 0.000) 27.275 6.081 ( 0.000 25.166 0.000) 25.166 6.137 ( 0.000 25.759 0.000) 25.759 6.218 ( 0.000 18.382 0.000) 18.382 6.498 ( 0.000 -10.803 0.000) 10.803 6.526 ( 0.000 7.816 0.000) 7.816 6.541 ( 0.000 -14.033 0.000) 14.033 6.599 ( 0.000 -26.108 0.000) 26.108 6.772 ( 0.000 -17.762 0.000) 17.762 7.112 ( 0.000 9.352 0.000) 9.352 7.114 ( 0.000 3.879 0.000) 3.879 7.127 ( 0.000 6.139 0.000) 6.139 7.156 ( 0.000 6.786 0.000) 6.786 7.230 ( 0.000 -5.349 0.000) 5.349 7.338 ( 0.000 -4.002 0.000) 4.002 7.348 ( 0.000 4.578 0.000) 4.578 7.466 ( 0.000 4.715 0.000) 4.715 7.480 ( 0.000 -6.152 0.000) 6.152 7.483 ( 0.000 6.223 0.000) 6.223 7.562 ( 0.000 -5.183 0.000) 5.183 7.611 ( 0.000 -9.468 0.000) 9.468 7.932 ( 0.000 2.949 0.000) 2.949 8.053 ( 0.000 -9.620 0.000) 9.620 8.183 ( 0.000 4.123 0.000) 4.123 8.355 ( 0.000 -11.933 0.000) 11.933 8.830 ( 0.000 0.813 0.000) 0.813 8.923 ( 0.000 7.078 0.000) 7.078 8.927 ( 0.000 -8.012 0.000) 8.012 9.055 ( 0.000 -6.784 0.000) 6.784 9.311 ( 0.000 15.344 0.000) 15.344 9.598 ( 0.000 -13.771 0.000) 13.771 9.874 ( 0.000 18.405 0.000) 18.405 10.093 ( 0.000 12.798 0.000) 12.798 10.178 ( 0.000 -13.428 0.000) 13.428 10.354 ( 0.000 -13.806 0.000) 13.806 13.258 ( 0.000 4.292 0.000) 4.292 13.320 ( 0.000 -1.972 0.000) 1.972 13.850 ( 0.000 4.183 0.000) 4.183 13.886 ( 0.000 0.711 0.000) 0.711 13.908 ( 0.000 -0.311 0.000) 0.311 13.956 ( 0.000 -5.408 0.000) 5.408 14.304 ( 0.000 6.085 0.000) 6.085 14.477 ( 0.000 -10.695 0.000) 10.695 15.127 ( 0.000 14.169 0.000) 14.169 15.193 ( 0.000 13.901 0.000) 13.901 15.209 ( 0.000 17.584 0.000) 17.584 15.365 ( 0.000 2.979 0.000) 2.979 15.389 ( 0.000 -4.556 0.000) 4.556 15.434 ( 0.000 2.209 0.000) 2.209 15.594 ( 0.000 -6.235 0.000) 6.235 15.595 ( 0.000 -13.813 0.000) 13.813 15.625 ( 0.000 21.542 0.000) 21.542 15.889 ( 0.000 9.944 0.000) 9.944 15.944 ( 0.000 -8.109 0.000) 8.109 15.980 ( 0.000 6.586 0.000) 6.586 16.078 ( 0.000 -8.158 0.000) 8.158 16.137 ( 0.000 -11.866 0.000) 11.866 16.490 ( 0.000 7.126 0.000) 7.126 16.665 ( 0.000 -11.083 0.000) 11.083 17.130 ( 0.000 14.985 0.000) 14.985 17.451 ( 0.000 -18.265 0.000) 18.265 17.618 ( 0.000 7.527 0.000) 7.527 17.685 ( 0.000 10.725 0.000) 10.725 17.758 ( 0.000 5.357 0.000) 5.357 17.815 ( 0.000 -10.863 0.000) 10.863 17.905 ( 0.000 -10.791 0.000) 10.791 17.918 ( 0.000 -8.394 0.000) 8.394 18.146 ( 0.000 -1.238 0.000) 1.238 18.169 ( 0.000 -5.486 0.000) 5.486 19.003 ( 0.000 5.917 0.000) 5.917 19.101 ( 0.000 -4.199 0.000) 4.199 19.415 ( 0.000 19.007 0.000) 19.007 19.771 ( 0.000 -17.497 0.000) 17.497 20.310 ( 0.000 9.775 0.000) 9.775 20.474 ( 0.000 8.046 0.000) 8.046 20.494 ( 0.000 -9.141 0.000) 9.141 20.627 ( 0.000 -7.761 0.000) 7.761 21.037 ( 0.000 9.390 0.000) 9.390 21.191 ( 0.000 -6.662 0.000) 6.662 21.345 ( 0.000 8.740 0.000) 8.740 21.484 ( 0.000 -5.854 0.000) 5.854 21.529 ( 0.000 7.148 0.000) 7.148 21.639 ( 0.000 -4.445 0.000) 4.445 ======================= Grid point 45 (26/60) ======================= q-point: ( 0.09 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.300 30.931 0.000) 30.933 2.822 ( -5.699 21.989 0.000) 22.716 3.123 ( 6.659 16.356 0.000) 17.660 3.127 ( 3.090 12.556 0.000) 12.931 3.152 ( -6.113 -12.017 0.000) 13.483 3.188 ( -5.498 -19.108 0.000) 19.883 3.389 ( 1.802 -14.379 0.000) 14.492 3.474 ( 6.151 -16.515 0.000) 17.623 3.510 ( -9.099 12.671 0.000) 15.599 3.625 ( 1.473 18.053 0.000) 18.113 3.794 ( -3.357 -11.491 0.000) 11.971 3.941 ( 4.044 -11.773 0.000) 12.448 4.308 ( -4.190 22.185 0.000) 22.577 4.591 ( -14.129 5.435 0.000) 15.138 4.686 ( 7.758 12.585 0.000) 14.784 4.727 ( -7.264 -7.370 0.000) 10.348 4.891 ( -9.857 20.678 0.000) 22.907 4.993 ( 4.691 4.879 0.000) 6.768 5.020 ( -3.604 3.147 0.000) 4.784 5.150 ( -5.032 3.472 0.000) 6.114 5.206 ( -2.390 5.542 0.000) 6.035 5.214 ( -1.608 -1.409 0.000) 2.138 5.319 ( 1.283 3.188 0.000) 3.437 5.525 ( 8.577 -21.553 0.000) 23.197 5.558 ( 2.589 6.965 0.000) 7.431 5.890 ( -12.476 -20.618 0.000) 24.099 6.104 ( 0.887 16.957 0.000) 16.980 6.144 ( 1.516 24.029 0.000) 24.076 6.218 ( -1.059 12.187 0.000) 12.233 6.299 ( -12.244 -0.701 0.000) 12.264 6.461 ( -3.643 -8.739 0.000) 9.468 6.565 ( 1.842 -13.721 0.000) 13.844 6.750 ( -0.848 -9.304 0.000) 9.342 6.796 ( 8.831 -11.889 0.000) 14.810 7.014 ( -3.945 2.638 0.000) 4.746 7.085 ( -5.792 -3.213 0.000) 6.623 7.121 ( -3.188 8.523 0.000) 9.100 7.172 ( -3.467 2.396 0.000) 4.214 7.248 ( 0.057 7.474 0.000) 7.475 7.274 ( -1.497 -0.861 0.000) 1.727 7.278 ( 3.423 0.318 0.000) 3.438 7.460 ( 0.403 -10.157 0.000) 10.165 7.512 ( 3.894 6.761 0.000) 7.802 7.622 ( 3.457 -5.179 0.000) 6.227 7.630 ( 9.892 4.296 0.000) 10.784 7.757 ( 9.428 -9.309 0.000) 13.249 7.963 ( 4.048 5.816 0.000) 7.086 8.119 ( 6.236 -9.650 0.000) 11.490 8.253 ( 7.255 6.212 0.000) 9.551 8.430 ( 6.636 -10.586 0.000) 12.494 8.828 ( 0.323 1.499 0.000) 1.534 8.906 ( -0.844 -5.517 0.000) 5.581 8.909 ( -0.851 6.239 0.000) 6.296 9.047 ( -1.384 -7.679 0.000) 7.803 9.355 ( 4.162 13.385 0.000) 14.018 9.587 ( -1.191 -8.053 0.000) 8.141 9.892 ( 1.740 14.752 0.000) 14.855 10.118 ( 2.683 11.297 0.000) 11.612 10.168 ( -0.990 -12.843 0.000) 12.881 10.364 ( 1.078 -13.277 0.000) 13.320 13.287 ( 2.983 4.613 0.000) 5.494 13.353 ( 3.376 -2.157 0.000) 4.007 13.820 ( -2.236 2.835 0.000) 3.610 13.862 ( -1.378 -1.498 0.000) 2.035 13.956 ( 3.634 1.214 0.000) 3.831 13.996 ( 3.240 -3.510 0.000) 4.776 14.304 ( 0.033 5.967 0.000) 5.967 14.480 ( 0.229 -11.121 0.000) 11.123 15.042 ( -7.889 15.168 0.000) 17.097 15.120 ( -11.731 9.980 0.000) 15.402 15.162 ( -4.557 8.491 0.000) 9.637 15.269 ( -3.766 17.865 0.000) 18.258 15.328 ( -5.713 -6.113 0.000) 8.367 15.435 ( 0.743 -2.689 0.000) 2.789 15.499 ( -6.913 -5.949 0.000) 9.120 15.603 ( -0.391 -13.284 0.000) 13.289 15.725 ( 6.871 15.412 0.000) 16.874 15.814 ( -1.004 6.467 0.000) 6.545 15.931 ( -1.664 0.291 0.000) 1.690 15.974 ( 2.473 -5.214 0.000) 5.771 16.236 ( -14.847 6.112 0.000) 16.056 16.289 ( 10.543 3.809 0.000) 11.210 16.382 ( 8.120 -9.103 0.000) 12.198 16.406 ( -12.046 -7.667 0.000) 14.278 17.217 ( -8.622 9.603 0.000) 12.906 17.326 ( -24.208 0.773 0.000) 24.220 17.466 ( -0.402 7.489 0.000) 7.500 17.572 ( -3.052 -5.535 0.000) 6.321 17.647 ( -15.445 -7.891 0.000) 17.344 17.680 ( -5.160 -11.547 0.000) 12.647 17.851 ( 5.841 1.649 0.000) 6.070 17.902 ( -3.858 -3.152 0.000) 4.982 18.254 ( 4.531 0.286 0.000) 4.540 18.323 ( 4.550 -6.520 0.000) 7.950 18.940 ( -5.358 5.794 0.000) 7.892 19.042 ( -5.434 -4.664 0.000) 7.161 19.530 ( 11.594 15.927 0.000) 19.700 19.833 ( 6.463 -14.655 0.000) 16.017 20.266 ( -2.738 6.846 0.000) 7.373 20.371 ( -3.812 -2.566 0.000) 4.595 20.660 ( 9.921 1.043 0.000) 9.976 20.732 ( 8.736 -5.276 0.000) 10.206 20.981 ( -4.678 7.844 0.000) 9.133 21.106 ( -6.053 -4.673 0.000) 7.646 21.414 ( 4.447 6.202 0.000) 7.631 21.466 ( -0.957 4.080 0.000) 4.191 21.579 ( 3.286 -1.887 0.000) 3.789 21.631 ( -0.837 -4.421 0.000) 4.499 ======================= Grid point 46 (27/60) ======================= q-point: ( 0.18 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.635 ( -0.175 24.524 0.000) 24.524 2.684 ( -9.154 24.176 0.000) 25.851 3.009 ( -7.614 -10.596 0.000) 13.048 3.039 ( -6.704 -7.691 0.000) 10.202 3.226 ( 6.117 10.847 0.000) 12.453 3.260 ( 3.537 10.240 0.000) 10.834 3.343 ( -4.878 11.712 0.000) 12.687 3.455 ( 4.658 -12.801 0.000) 13.623 3.570 ( -1.007 -7.457 0.000) 7.525 3.642 ( 1.527 -12.286 0.000) 12.381 3.778 ( 5.398 6.289 0.000) 8.288 4.032 ( 3.970 -8.023 0.000) 8.951 4.226 ( -4.444 10.736 0.000) 11.620 4.296 ( -15.662 14.059 0.000) 21.047 4.555 ( -9.532 -11.853 0.000) 15.210 4.642 ( -7.737 -5.138 0.000) 9.287 4.732 ( -13.338 18.183 0.000) 22.551 4.964 ( 3.189 13.966 0.000) 14.326 4.980 ( -10.719 5.485 0.000) 12.041 5.095 ( 2.086 -4.363 0.000) 4.836 5.176 ( -1.906 -5.811 0.000) 6.115 5.193 ( -0.525 -3.866 0.000) 3.901 5.323 ( -2.243 6.774 0.000) 7.136 5.560 ( -11.541 -16.015 0.000) 19.740 5.626 ( 6.266 2.883 0.000) 6.897 5.741 ( 4.901 -8.378 0.000) 9.706 6.081 ( -10.226 4.516 0.000) 11.179 6.110 ( -0.870 2.804 0.000) 2.936 6.168 ( -2.768 8.595 0.000) 9.030 6.219 ( 5.406 11.408 0.000) 12.624 6.403 ( -1.680 -1.889 0.000) 2.529 6.578 ( -0.372 -13.002 0.000) 13.007 6.782 ( 2.789 5.309 0.000) 5.997 6.822 ( -8.184 1.202 0.000) 8.271 6.885 ( -10.988 -1.131 0.000) 11.046 6.929 ( -1.028 -3.288 0.000) 3.445 7.143 ( 3.382 4.959 0.000) 6.002 7.189 ( -0.340 2.923 0.000) 2.943 7.213 ( -3.336 4.117 0.000) 5.299 7.272 ( 2.807 -4.520 0.000) 5.321 7.369 ( 5.576 -2.186 0.000) 5.989 7.463 ( 0.272 -9.580 0.000) 9.584 7.582 ( 1.784 4.364 0.000) 4.715 7.679 ( 1.381 -5.730 0.000) 5.894 7.816 ( 10.287 3.111 0.000) 10.747 7.903 ( 6.873 -5.938 0.000) 9.083 8.099 ( 9.173 8.912 0.000) 12.789 8.263 ( 7.961 -7.653 0.000) 11.042 8.425 ( 8.659 6.079 0.000) 10.580 8.546 ( 3.691 -5.152 0.000) 6.338 8.827 ( -0.562 7.430 0.000) 7.451 8.942 ( 5.454 -1.547 0.000) 5.669 8.969 ( 8.665 -2.224 0.000) 8.945 9.002 ( -2.769 -7.031 0.000) 7.557 9.444 ( 4.425 9.029 0.000) 10.055 9.554 ( -2.086 0.535 0.000) 2.154 9.930 ( 1.922 10.216 0.000) 10.395 10.142 ( -1.687 -10.876 0.000) 11.007 10.193 ( 4.933 8.246 0.000) 9.609 10.397 ( 2.314 -11.518 0.000) 11.748 13.365 ( 4.841 5.492 0.000) 7.321 13.440 ( 5.360 -2.531 0.000) 5.927 13.785 ( -1.186 2.098 0.000) 2.410 13.838 ( -1.130 -1.822 0.000) 2.144 14.039 ( 4.900 0.071 0.000) 4.901 14.064 ( 3.751 -1.880 0.000) 4.196 14.308 ( 0.462 5.391 0.000) 5.410 14.481 ( -0.242 -11.427 0.000) 11.430 14.832 ( -13.546 9.706 0.000) 16.664 14.840 ( -15.267 7.748 0.000) 17.120 15.036 ( -6.896 5.606 0.000) 8.887 15.195 ( -7.524 -8.315 0.000) 11.214 15.224 ( -2.264 14.503 0.000) 14.678 15.399 ( -3.721 -4.339 0.000) 5.716 15.452 ( 0.453 0.795 0.000) 0.914 15.591 ( -0.924 -10.603 0.000) 10.643 15.757 ( -14.390 9.765 0.000) 17.390 15.814 ( -2.304 6.102 0.000) 6.523 15.880 ( 1.752 5.476 0.000) 5.749 15.943 ( -19.186 -5.826 0.000) 20.051 15.978 ( -1.785 2.074 0.000) 2.736 16.048 ( 1.510 -2.359 0.000) 2.801 16.571 ( 11.614 6.118 0.000) 13.127 16.683 ( 3.114 -5.688 0.000) 6.485 16.814 ( -21.396 4.988 0.000) 21.970 16.879 ( -11.883 -0.314 0.000) 11.887 17.314 ( -15.754 -2.939 0.000) 16.026 17.341 ( -15.023 -5.160 0.000) 15.884 17.580 ( 0.015 -0.030 0.000) 0.034 17.582 ( -8.201 -1.263 0.000) 8.298 17.869 ( 4.386 8.787 0.000) 9.821 18.026 ( 7.494 -5.160 0.000) 9.099 18.243 ( -3.705 -2.710 0.000) 4.591 18.260 ( -9.251 -1.998 0.000) 9.465 18.814 ( -8.126 4.856 0.000) 9.466 18.911 ( -8.106 -5.120 0.000) 9.587 19.826 ( 17.723 9.439 0.000) 20.080 20.009 ( 11.210 -7.744 0.000) 13.625 20.244 ( 0.798 2.665 0.000) 2.782 20.331 ( -0.573 -4.687 0.000) 4.722 20.844 ( 8.753 2.260 0.000) 9.041 20.877 ( 0.531 3.545 0.000) 3.585 20.925 ( 4.452 -1.368 0.000) 4.658 21.004 ( -4.228 -4.907 0.000) 6.477 21.447 ( -1.166 7.015 0.000) 7.112 21.475 ( 1.677 5.300 0.000) 5.559 21.606 ( -1.740 -4.407 0.000) 4.738 21.620 ( 0.713 -4.540 0.000) 4.596 ======================= Grid point 47 (28/60) ======================= q-point: ( 0.27 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -9.246 24.641 0.000) 26.319 2.636 ( 0.463 16.620 0.000) 16.627 2.870 ( -6.556 -11.943 0.000) 13.624 2.971 ( -1.068 -10.556 0.000) 10.610 3.130 ( -9.140 6.899 0.000) 11.451 3.340 ( 2.085 8.237 0.000) 8.496 3.426 ( -5.831 -12.064 0.000) 13.399 3.453 ( 8.951 11.348 0.000) 14.453 3.552 ( 4.799 -7.421 0.000) 8.837 3.737 ( 4.473 -15.446 0.000) 16.081 3.927 ( 2.942 11.416 0.000) 11.789 4.008 ( -6.016 9.208 0.000) 10.999 4.034 ( -6.292 14.708 0.000) 15.997 4.150 ( -5.144 -4.327 0.000) 6.722 4.393 ( -6.682 -10.355 0.000) 12.324 4.426 ( -14.681 6.975 0.000) 16.254 4.617 ( 4.958 -9.737 0.000) 10.927 4.758 ( -10.747 1.088 0.000) 10.802 4.933 ( -7.531 2.929 0.000) 8.081 4.971 ( -12.558 -7.667 0.000) 14.713 5.138 ( -4.727 -10.359 0.000) 11.386 5.139 ( -5.318 -11.823 0.000) 12.965 5.364 ( 7.534 11.382 0.000) 13.650 5.439 ( 2.301 2.109 0.000) 3.121 5.765 ( 5.512 10.897 0.000) 12.212 5.848 ( 4.268 -0.491 0.000) 4.296 5.912 ( -5.966 1.151 0.000) 6.076 6.049 ( -3.499 -6.216 0.000) 7.133 6.151 ( -1.215 3.984 0.000) 4.166 6.262 ( -2.926 -5.544 0.000) 6.268 6.447 ( 6.831 10.849 0.000) 12.821 6.565 ( -1.420 -2.995 0.000) 3.315 6.623 ( -10.666 1.833 0.000) 10.822 6.684 ( -7.351 -1.802 0.000) 7.569 6.819 ( -0.859 5.356 0.000) 5.424 6.914 ( -1.440 -0.628 0.000) 1.571 7.094 ( -5.563 4.638 0.000) 7.243 7.126 ( -4.508 2.045 0.000) 4.951 7.236 ( 3.408 4.250 0.000) 5.448 7.372 ( 5.808 -7.117 0.000) 9.186 7.470 ( 4.210 -5.363 0.000) 6.818 7.473 ( 0.506 -6.831 0.000) 6.850 7.569 ( -2.491 4.674 0.000) 5.297 7.657 ( -3.365 -4.323 0.000) 5.478 8.049 ( 13.857 0.942 0.000) 13.889 8.068 ( 10.775 -1.323 0.000) 10.856 8.272 ( 7.815 7.954 0.000) 11.151 8.401 ( 5.953 -5.059 0.000) 7.812 8.525 ( 1.464 3.141 0.000) 3.465 8.547 ( -2.432 2.006 0.000) 3.153 8.848 ( 2.404 4.459 0.000) 5.066 8.956 ( -1.749 -5.283 0.000) 5.565 9.120 ( 11.992 3.436 0.000) 12.475 9.193 ( 12.647 -3.708 0.000) 13.179 9.512 ( 2.581 4.366 0.000) 5.072 9.519 ( -0.877 4.415 0.000) 4.501 9.956 ( 0.559 7.755 0.000) 7.775 10.103 ( -2.406 -7.656 0.000) 8.025 10.297 ( 5.598 6.423 0.000) 8.520 10.448 ( 2.719 -8.337 0.000) 8.769 13.461 ( 4.802 6.557 0.000) 8.128 13.544 ( 5.064 -2.679 0.000) 5.729 13.778 ( 0.440 1.230 0.000) 1.306 13.820 ( -0.542 -0.558 0.000) 0.778 14.129 ( 3.580 -2.126 0.000) 4.164 14.133 ( 2.928 -0.903 0.000) 3.064 14.319 ( 0.063 4.598 0.000) 4.598 14.457 ( -3.512 -7.635 0.000) 8.404 14.578 ( -10.407 3.728 0.000) 11.055 14.590 ( -8.218 1.257 0.000) 8.314 14.932 ( -3.636 5.177 0.000) 6.327 15.050 ( -7.984 -6.416 0.000) 10.242 15.165 ( -4.055 9.333 0.000) 10.176 15.306 ( -7.917 -6.583 0.000) 10.296 15.346 ( -13.763 6.304 0.000) 15.138 15.492 ( -18.727 -4.202 0.000) 19.193 15.518 ( -3.487 0.766 0.000) 3.570 15.561 ( -2.523 -4.799 0.000) 5.422 15.832 ( -1.989 8.210 0.000) 8.448 15.921 ( -0.389 4.289 0.000) 4.306 15.995 ( 1.862 2.946 0.000) 3.484 16.084 ( 0.637 -2.198 0.000) 2.288 16.354 ( -18.819 -1.535 0.000) 18.882 16.367 ( -18.292 -2.721 0.000) 18.493 16.818 ( 5.986 11.846 0.000) 13.272 17.023 ( 8.404 -4.436 0.000) 9.503 17.068 ( -8.219 0.261 0.000) 8.224 17.138 ( -4.803 -3.189 0.000) 5.765 17.430 ( -5.583 1.840 0.000) 5.879 17.491 ( -4.884 -3.905 0.000) 6.253 17.997 ( -7.780 3.968 0.000) 8.733 18.017 ( 7.385 10.767 0.000) 13.057 18.047 ( -11.107 2.407 0.000) 11.365 18.235 ( 1.028 -8.486 0.000) 8.548 18.627 ( -10.848 5.440 0.000) 12.136 18.734 ( -9.891 -5.475 0.000) 11.305 20.160 ( 16.028 4.847 0.000) 16.745 20.218 ( 8.475 1.833 0.000) 8.671 20.310 ( 7.068 -5.423 0.000) 8.909 20.342 ( 1.644 -5.667 0.000) 5.901 20.846 ( -1.209 4.283 0.000) 4.450 20.933 ( -1.943 -4.145 0.000) 4.578 21.000 ( 6.071 1.723 0.000) 6.311 21.054 ( 6.323 -3.484 0.000) 7.219 21.417 ( -1.990 6.673 0.000) 6.963 21.478 ( -1.230 3.982 0.000) 4.168 21.565 ( -2.476 -4.186 0.000) 4.863 21.605 ( -2.127 -4.656 0.000) 5.119 ======================= Grid point 48 (29/60) ======================= q-point: ( 0.36 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( -1.601 16.003 0.000) 16.083 2.655 ( 0.749 1.096 0.000) 1.328 2.758 ( -4.901 -7.431 0.000) 8.902 2.918 ( -5.383 -12.083 0.000) 13.228 3.032 ( -0.019 6.841 0.000) 6.841 3.203 ( -7.423 -9.919 0.000) 12.389 3.501 ( 4.807 6.910 0.000) 8.418 3.601 ( 1.603 -3.731 0.000) 4.061 3.637 ( 6.797 8.473 0.000) 10.863 3.679 ( -9.360 4.480 0.000) 10.377 3.873 ( -6.727 6.909 0.000) 9.643 3.887 ( 2.458 -2.914 0.000) 3.813 4.019 ( -5.391 -9.142 0.000) 10.613 4.082 ( 0.695 -6.533 0.000) 6.570 4.201 ( -8.898 7.008 0.000) 11.326 4.286 ( -6.885 -2.227 0.000) 7.236 4.671 ( 3.385 -1.440 0.000) 3.678 4.719 ( -3.525 -8.924 0.000) 9.595 4.729 ( -9.142 4.330 0.000) 10.116 4.828 ( 4.285 -0.368 0.000) 4.301 5.013 ( -6.620 -10.428 0.000) 12.352 5.050 ( -2.847 -14.745 0.000) 15.017 5.523 ( 6.590 7.003 0.000) 9.617 5.546 ( 6.662 4.323 0.000) 7.942 5.708 ( -6.196 11.770 0.000) 13.301 5.856 ( -4.244 -2.481 0.000) 4.915 5.957 ( 5.957 1.166 0.000) 6.070 6.031 ( 1.408 -5.612 0.000) 5.786 6.082 ( -4.981 2.622 0.000) 5.629 6.152 ( -7.228 -3.574 0.000) 8.063 6.441 ( -7.694 1.431 0.000) 7.826 6.466 ( -6.946 -1.272 0.000) 7.061 6.589 ( 6.439 8.498 0.000) 10.662 6.661 ( 2.548 5.285 0.000) 5.867 6.775 ( -2.542 0.755 0.000) 2.651 6.877 ( -2.131 -3.373 0.000) 3.990 7.001 ( -3.492 4.274 0.000) 5.519 7.052 ( -2.867 0.274 0.000) 2.880 7.304 ( 3.664 4.751 0.000) 6.000 7.445 ( -0.248 -8.335 0.000) 8.339 7.484 ( -2.689 1.981 0.000) 3.340 7.491 ( 2.848 -1.368 0.000) 3.159 7.550 ( 1.167 -1.977 0.000) 2.295 7.573 ( -4.715 -2.155 0.000) 5.184 8.298 ( 11.772 1.768 0.000) 11.904 8.302 ( 7.762 3.248 0.000) 8.414 8.382 ( 7.111 1.949 0.000) 7.373 8.450 ( -1.411 -3.390 0.000) 3.672 8.528 ( 1.785 3.788 0.000) 4.187 8.546 ( 2.964 1.683 0.000) 3.409 8.875 ( -0.649 2.317 0.000) 2.407 8.920 ( -2.719 -1.791 0.000) 3.255 9.345 ( 9.254 3.406 0.000) 9.860 9.364 ( 3.580 2.438 0.000) 4.332 9.559 ( 3.674 2.419 0.000) 4.399 9.581 ( 8.473 -0.624 0.000) 8.496 9.942 ( -2.279 6.393 0.000) 6.787 10.045 ( -3.898 -4.482 0.000) 5.941 10.398 ( 4.704 5.372 0.000) 7.140 10.491 ( 1.611 -4.129 0.000) 4.432 13.542 ( 3.612 6.888 0.000) 7.778 13.621 ( 2.592 -1.331 0.000) 2.914 13.801 ( 1.932 0.925 0.000) 2.142 13.826 ( 1.415 0.079 0.000) 1.417 14.106 ( -6.771 -0.032 0.000) 6.771 14.128 ( -4.504 -1.345 0.000) 4.701 14.298 ( -0.034 0.900 0.000) 0.901 14.369 ( -2.192 -4.363 0.000) 4.883 14.543 ( 5.854 -0.375 0.000) 5.866 14.570 ( 3.910 -3.552 0.000) 5.282 14.842 ( -12.865 -0.495 0.000) 12.875 14.860 ( -7.011 -0.944 0.000) 7.074 15.082 ( -5.034 6.269 0.000) 8.040 15.097 ( -6.762 0.978 0.000) 6.832 15.161 ( -3.289 -1.489 0.000) 3.610 15.231 ( -11.792 -5.994 0.000) 13.227 15.455 ( -5.024 1.892 0.000) 5.369 15.485 ( -5.424 0.492 0.000) 5.446 15.784 ( -2.234 5.807 0.000) 6.222 15.868 ( -4.125 0.468 0.000) 4.152 16.001 ( -4.946 5.148 0.000) 7.139 16.042 ( -7.427 0.547 0.000) 7.447 16.089 ( -4.714 -4.376 0.000) 6.432 16.128 ( -3.814 -6.065 0.000) 7.165 16.885 ( 2.780 7.468 0.000) 7.968 16.980 ( -1.217 -1.427 0.000) 1.875 17.086 ( -1.311 2.048 0.000) 2.432 17.096 ( -1.912 0.757 0.000) 2.057 17.420 ( 3.167 2.702 0.000) 4.163 17.469 ( 1.893 -1.409 0.000) 2.359 17.865 ( -4.159 3.372 0.000) 5.354 17.870 ( -5.649 3.337 0.000) 6.560 18.108 ( 0.655 7.080 0.000) 7.111 18.191 ( -5.946 -1.333 0.000) 6.094 18.435 ( -7.528 7.032 0.000) 10.301 18.559 ( -7.590 -5.145 0.000) 9.169 20.323 ( 3.895 0.434 0.000) 3.919 20.360 ( 2.795 -1.836 0.000) 3.344 20.448 ( 10.888 -1.128 0.000) 10.946 20.493 ( 9.762 -4.477 0.000) 10.740 20.828 ( -1.027 2.614 0.000) 2.808 20.891 ( -2.431 -3.783 0.000) 4.496 21.110 ( 5.277 2.045 0.000) 5.660 21.162 ( 5.082 -3.343 0.000) 6.083 21.371 ( -2.840 5.120 0.000) 5.855 21.434 ( -3.191 1.093 0.000) 3.373 21.516 ( -2.372 -2.811 0.000) 3.678 21.550 ( -3.236 -3.720 0.000) 4.931 ======================= Grid point 49 (30/60) ======================= q-point: ( 0.45 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.426 ( 5.622 0.646 0.000) 5.659 2.566 ( -8.100 -12.470 0.000) 14.870 2.769 ( 4.351 0.505 0.000) 4.380 2.840 ( -2.827 -6.151 0.000) 6.769 3.043 ( 0.864 1.687 0.000) 1.895 3.098 ( -4.505 -4.360 0.000) 6.270 3.504 ( -1.005 9.380 0.000) 9.433 3.555 ( -4.567 3.493 0.000) 5.750 3.611 ( 1.263 -2.398 0.000) 2.711 3.653 ( -3.457 -4.383 0.000) 5.582 3.901 ( 8.316 3.949 0.000) 9.206 3.954 ( 4.336 0.580 0.000) 4.374 3.999 ( 2.545 -4.905 0.000) 5.526 4.043 ( -4.599 -8.822 0.000) 9.949 4.062 ( -5.756 4.145 0.000) 7.093 4.119 ( -8.752 -0.860 0.000) 8.794 4.587 ( -2.251 -4.731 0.000) 5.239 4.614 ( -4.264 -6.061 0.000) 7.411 4.878 ( -0.128 -3.320 0.000) 3.323 4.895 ( 11.625 7.324 0.000) 13.740 4.910 ( -2.127 -5.139 0.000) 5.561 5.062 ( -1.007 -6.406 0.000) 6.485 5.544 ( 0.932 2.167 0.000) 2.359 5.636 ( -0.928 -1.732 0.000) 1.964 5.700 ( 2.678 3.741 0.000) 4.601 5.729 ( -4.853 -2.933 0.000) 5.670 5.986 ( -2.313 1.116 0.000) 2.568 6.008 ( -3.727 -0.760 0.000) 3.804 6.063 ( 1.756 2.324 0.000) 2.913 6.078 ( 0.990 1.245 0.000) 1.591 6.344 ( -2.077 0.466 0.000) 2.129 6.360 ( -3.522 -1.122 0.000) 3.696 6.660 ( 1.047 8.876 0.000) 8.937 6.673 ( -1.022 10.993 0.000) 11.041 6.788 ( 3.371 -3.576 0.000) 4.915 6.842 ( -1.794 -4.124 0.000) 4.498 6.973 ( 0.696 1.818 0.000) 1.947 7.008 ( -2.139 -0.481 0.000) 2.192 7.371 ( 2.995 2.696 0.000) 4.030 7.411 ( -1.914 -0.582 0.000) 2.000 7.445 ( -0.381 2.671 0.000) 2.698 7.487 ( -3.868 -1.261 0.000) 4.068 7.544 ( 1.766 -2.304 0.000) 2.903 7.562 ( -0.153 -3.173 0.000) 3.177 8.328 ( 0.375 3.046 0.000) 3.069 8.361 ( -2.768 -0.369 0.000) 2.793 8.516 ( 4.960 3.776 0.000) 6.234 8.535 ( 2.474 2.831 0.000) 3.759 8.638 ( 7.567 0.766 0.000) 7.606 8.641 ( 10.496 -0.159 0.000) 10.497 8.802 ( -6.738 1.585 0.000) 6.922 8.827 ( -7.176 -0.749 0.000) 7.215 9.399 ( 1.438 2.940 0.000) 3.272 9.420 ( -0.087 0.823 0.000) 0.827 9.692 ( 8.555 4.584 0.000) 9.706 9.760 ( 6.947 -2.357 0.000) 7.336 9.872 ( -3.506 5.296 0.000) 6.351 9.947 ( -6.265 -2.427 0.000) 6.718 10.472 ( 2.790 3.450 0.000) 4.436 10.503 ( -0.484 0.132 0.000) 0.502 13.602 ( 2.675 5.962 0.000) 6.534 13.638 ( -0.732 2.943 0.000) 3.033 13.846 ( 2.501 1.619 0.000) 2.979 13.868 ( 1.626 -0.505 0.000) 1.702 13.982 ( -3.215 -0.860 0.000) 3.328 14.019 ( -5.085 -4.151 0.000) 6.564 14.314 ( 1.097 -2.634 0.000) 2.853 14.343 ( -1.698 -5.049 0.000) 5.327 14.635 ( -2.885 1.498 0.000) 3.250 14.671 ( -5.396 -0.480 0.000) 5.417 14.720 ( 8.200 -2.993 0.000) 8.729 14.734 ( 8.749 -3.067 0.000) 9.271 14.929 ( -9.744 2.067 0.000) 9.961 14.976 ( -13.155 -2.862 0.000) 13.462 15.141 ( 6.994 3.959 0.000) 8.037 15.207 ( 5.582 -1.938 0.000) 5.909 15.317 ( -8.286 2.083 0.000) 8.543 15.358 ( -7.477 -0.888 0.000) 7.530 15.762 ( -0.025 3.337 0.000) 3.338 15.792 ( -3.224 1.712 0.000) 3.650 15.897 ( -2.361 -0.536 0.000) 2.421 15.913 ( -3.960 -1.520 0.000) 4.242 16.092 ( 1.152 -1.686 0.000) 2.042 16.107 ( -0.503 -2.904 0.000) 2.947 16.940 ( 2.546 4.688 0.000) 5.335 16.971 ( -0.662 1.819 0.000) 1.936 17.057 ( -0.739 1.774 0.000) 1.922 17.061 ( -1.164 1.272 0.000) 1.724 17.465 ( 1.140 3.481 0.000) 3.663 17.485 ( -0.804 1.743 0.000) 1.920 17.873 ( 5.694 3.677 0.000) 6.778 17.878 ( 5.282 2.946 0.000) 6.048 18.021 ( -8.048 3.511 0.000) 8.781 18.032 ( -9.427 2.465 0.000) 9.744 18.386 ( 1.508 5.136 0.000) 5.353 18.446 ( -4.438 -0.794 0.000) 4.509 20.379 ( 1.758 -1.949 0.000) 2.625 20.390 ( 0.543 -2.866 0.000) 2.917 20.621 ( 6.219 -0.419 0.000) 6.233 20.643 ( 4.705 -2.558 0.000) 5.356 20.803 ( -0.899 0.866 0.000) 1.248 20.835 ( -3.325 -2.313 0.000) 4.051 21.205 ( 4.622 2.112 0.000) 5.082 21.248 ( 2.873 -1.531 0.000) 3.256 21.314 ( -2.011 1.439 0.000) 2.473 21.361 ( -4.208 -2.133 0.000) 4.718 21.484 ( -0.657 -1.307 0.000) 1.463 21.497 ( -1.914 -2.041 0.000) 2.798 ======================= Grid point 99 (31/60) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.000 0.000 34.041) 34.041 0.822 ( 0.000 0.000 38.882) 38.882 1.341 ( 0.000 0.000 11.029) 11.029 1.524 ( 0.000 0.000 23.802) 23.802 1.613 ( 0.000 0.000 -36.542) 36.542 2.615 ( 0.000 0.000 24.670) 24.670 2.673 ( 0.000 0.000 -43.642) 43.642 2.960 ( 0.000 0.000 26.349) 26.349 3.130 ( 0.000 0.000 -25.101) 25.101 3.427 ( 0.000 0.000 -17.737) 17.737 3.588 ( 0.000 0.000 0.415) 0.415 3.695 ( 0.000 0.000 -5.053) 5.053 3.883 ( 0.000 0.000 -4.432) 4.432 3.890 ( 0.000 0.000 -5.782) 5.782 4.431 ( 0.000 0.000 4.035) 4.035 4.443 ( 0.000 0.000 7.166) 7.166 4.515 ( 0.000 0.000 -2.417) 2.417 4.525 ( 0.000 0.000 2.461) 2.461 4.546 ( 0.000 0.000 -2.439) 2.439 4.720 ( 0.000 0.000 -14.512) 14.512 4.884 ( 0.000 0.000 25.294) 25.294 4.944 ( 0.000 0.000 25.599) 25.599 5.152 ( 0.000 0.000 4.199) 4.199 5.254 ( 0.000 0.000 -4.367) 4.367 5.454 ( 0.000 0.000 -25.488) 25.488 5.498 ( 0.000 0.000 -24.339) 24.339 5.608 ( 0.000 0.000 30.087) 30.087 5.682 ( 0.000 0.000 13.314) 13.314 6.373 ( 0.000 0.000 5.104) 5.104 6.510 ( 0.000 0.000 2.118) 2.118 6.587 ( 0.000 0.000 -4.198) 4.198 6.587 ( 0.000 0.000 -4.035) 4.035 6.633 ( 0.000 0.000 3.829) 3.829 6.980 ( 0.000 0.000 -25.968) 25.968 6.982 ( 0.000 0.000 1.483) 1.483 7.010 ( 0.000 0.000 -0.821) 0.821 7.126 ( 0.000 0.000 4.493) 4.493 7.154 ( 0.000 0.000 5.708) 5.708 7.234 ( 0.000 0.000 -5.601) 5.601 7.267 ( 0.000 0.000 17.107) 17.107 7.286 ( 0.000 0.000 -3.354) 3.354 7.428 ( 0.000 0.000 3.160) 3.160 7.723 ( 0.000 0.000 -0.788) 0.788 7.804 ( 0.000 0.000 -6.164) 6.164 7.858 ( 0.000 0.000 -10.843) 10.843 7.865 ( 0.000 0.000 -7.869) 7.869 8.201 ( 0.000 0.000 10.456) 10.456 8.249 ( 0.000 0.000 0.668) 0.668 8.263 ( 0.000 0.000 -0.624) 0.624 8.476 ( 0.000 0.000 10.243) 10.243 8.510 ( 0.000 0.000 -15.968) 15.968 8.656 ( 0.000 0.000 -5.828) 5.828 9.025 ( 0.000 0.000 26.100) 26.100 9.147 ( 0.000 0.000 1.046) 1.046 9.149 ( 0.000 0.000 1.152) 1.152 9.459 ( 0.000 0.000 -14.383) 14.383 9.680 ( 0.000 0.000 13.363) 13.363 9.956 ( 0.000 0.000 -11.405) 11.405 10.768 ( 0.000 0.000 5.159) 5.159 10.869 ( 0.000 0.000 -3.826) 3.826 13.476 ( 0.000 0.000 10.219) 10.219 13.603 ( 0.000 0.000 -2.568) 2.568 13.606 ( 0.000 0.000 -3.281) 3.281 13.742 ( 0.000 0.000 -13.598) 13.598 13.881 ( 0.000 0.000 4.385) 4.385 14.019 ( 0.000 0.000 -8.106) 8.106 14.178 ( 0.000 0.000 16.670) 16.670 14.341 ( 0.000 0.000 8.286) 8.286 14.430 ( 0.000 0.000 4.905) 4.905 14.561 ( 0.000 0.000 -10.948) 10.948 14.670 ( 0.000 0.000 -8.971) 8.971 14.789 ( 0.000 0.000 16.152) 16.152 14.876 ( 0.000 0.000 -15.486) 15.486 15.023 ( 0.000 0.000 -3.734) 3.734 15.440 ( 0.000 0.000 12.401) 12.401 15.512 ( 0.000 0.000 0.267) 0.267 15.631 ( 0.000 0.000 -8.189) 8.189 15.645 ( 0.000 0.000 -6.780) 6.780 15.800 ( 0.000 0.000 5.602) 5.602 15.865 ( 0.000 0.000 -0.398) 0.398 16.039 ( 0.000 0.000 10.125) 10.125 16.236 ( 0.000 0.000 -7.708) 7.708 16.337 ( 0.000 0.000 1.537) 1.537 16.369 ( 0.000 0.000 -1.089) 1.089 17.443 ( 0.000 0.000 1.289) 1.289 17.463 ( 0.000 0.000 -0.556) 0.556 17.762 ( 0.000 0.000 5.258) 5.258 17.920 ( 0.000 0.000 -9.372) 9.372 18.341 ( 0.000 0.000 9.101) 9.101 18.357 ( 0.000 0.000 1.439) 1.439 18.397 ( 0.000 0.000 -2.047) 2.047 18.497 ( 0.000 0.000 -5.514) 5.514 18.549 ( 0.000 0.000 5.131) 5.131 18.682 ( 0.000 0.000 -6.718) 6.718 19.315 ( 0.000 0.000 4.270) 4.270 19.391 ( 0.000 0.000 -2.654) 2.654 19.629 ( 0.000 0.000 6.602) 6.602 19.774 ( 0.000 0.000 -5.928) 5.928 19.964 ( 0.000 0.000 1.820) 1.820 20.004 ( 0.000 0.000 -1.667) 1.667 20.183 ( 0.000 0.000 0.242) 0.242 20.191 ( 0.000 0.000 -0.461) 0.461 20.536 ( 0.000 0.000 5.735) 5.735 20.696 ( 0.000 0.000 -9.126) 9.126 21.138 ( 0.000 0.000 9.323) 9.323 21.311 ( 0.000 0.000 -6.694) 6.694 21.711 ( 0.000 0.000 2.615) 2.615 21.760 ( 0.000 0.000 -1.746) 1.746 ======================= Grid point 100 (32/60) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 18.215 0.000 27.017) 32.584 1.077 ( 30.789 0.000 22.478) 38.121 1.591 ( 21.381 0.000 -19.462) 28.912 1.621 ( 3.336 0.000 -34.238) 34.400 1.921 ( 35.243 0.000 44.778) 56.984 2.701 ( 8.576 0.000 22.668) 24.236 2.841 ( 6.581 0.000 -5.840) 8.799 2.966 ( 8.389 0.000 -1.147) 8.467 3.208 ( 9.007 0.000 -27.652) 29.081 3.360 ( -5.423 0.000 -17.291) 18.121 3.676 ( 8.224 0.000 -2.606) 8.627 3.682 ( -1.917 0.000 0.770) 2.066 3.846 ( -4.203 0.000 -5.708) 7.089 3.913 ( 2.260 0.000 -10.194) 10.441 4.382 ( -1.526 0.000 5.903) 6.097 4.457 ( 1.754 0.000 3.269) 3.710 4.530 ( 3.641 0.000 -1.566) 3.964 4.583 ( 2.030 0.000 7.400) 7.674 4.585 ( 3.055 0.000 -0.384) 3.079 4.797 ( 3.932 0.000 -9.791) 10.551 4.855 ( -6.126 0.000 17.877) 18.898 4.936 ( 6.540 0.000 20.231) 21.262 5.076 ( -3.990 0.000 6.909) 7.978 5.193 ( -4.727 0.000 -6.437) 7.986 5.390 ( -1.986 0.000 -12.554) 12.711 5.399 ( -9.083 0.000 -20.013) 21.977 5.676 ( 6.196 0.000 27.827) 28.509 5.797 ( 9.202 0.000 2.209) 9.463 6.267 ( -4.766 0.000 1.734) 5.072 6.395 ( -2.216 0.000 -2.649) 3.454 6.569 ( 1.437 0.000 5.863) 6.037 6.723 ( 4.054 0.000 3.558) 5.394 6.866 ( 10.487 0.000 -6.766) 12.480 6.980 ( 1.541 0.000 -22.070) 22.124 7.029 ( 0.682 0.000 3.495) 3.561 7.065 ( -4.892 0.000 0.196) 4.896 7.232 ( -2.095 0.000 12.791) 12.962 7.238 ( -1.289 0.000 10.572) 10.650 7.279 ( 5.971 0.000 -2.233) 6.374 7.336 ( 8.408 0.000 -2.503) 8.773 7.455 ( 13.314 0.000 7.729) 15.395 7.605 ( -9.866 0.000 -0.737) 9.894 7.663 ( 2.205 0.000 -13.453) 13.633 7.873 ( 17.384 0.000 -22.453) 28.396 7.896 ( 11.260 0.000 -12.334) 16.700 7.899 ( 2.312 0.000 -4.090) 4.698 8.149 ( -2.722 0.000 1.676) 3.196 8.223 ( 0.909 0.000 -6.707) 6.769 8.356 ( 6.688 0.000 6.402) 9.258 8.427 ( -4.262 0.000 7.699) 8.800 8.557 ( 1.976 0.000 -11.239) 11.411 8.603 ( -0.429 0.000 -9.341) 9.351 8.965 ( -5.337 0.000 21.853) 22.495 9.099 ( -4.939 0.000 0.658) 4.983 9.157 ( 0.053 0.000 1.794) 1.795 9.421 ( -3.889 0.000 -13.291) 13.848 9.669 ( -1.246 0.000 13.630) 13.686 9.949 ( -0.892 0.000 -11.576) 11.610 10.744 ( -2.551 0.000 5.649) 6.198 10.854 ( -1.703 0.000 -4.151) 4.487 13.442 ( -3.428 0.000 11.195) 11.709 13.623 ( -0.900 0.000 11.687) 11.722 13.666 ( 5.785 0.000 -3.611) 6.819 13.729 ( -0.829 0.000 -11.350) 11.380 13.837 ( -1.299 0.000 0.966) 1.619 13.968 ( -4.399 0.000 -8.306) 9.399 14.106 ( -8.513 0.000 19.036) 20.852 14.297 ( -2.775 0.000 2.095) 3.477 14.463 ( -3.428 0.000 -1.813) 3.878 14.497 ( 5.122 0.000 4.672) 6.933 14.687 ( 1.154 0.000 -6.928) 7.024 14.778 ( -0.591 0.000 16.327) 16.338 14.892 ( 0.383 0.000 -9.578) 9.586 15.059 ( 2.330 0.000 -9.851) 10.123 15.273 ( -11.121 0.000 14.057) 17.924 15.456 ( 0.279 0.000 4.933) 4.941 15.577 ( -3.748 0.000 -4.638) 5.963 15.664 ( -0.787 0.000 -3.823) 3.903 15.755 ( -3.130 0.000 7.325) 7.966 15.856 ( -1.032 0.000 -1.375) 1.719 16.090 ( 2.696 0.000 12.903) 13.182 16.301 ( 4.820 0.000 -6.877) 8.398 16.320 ( -2.436 0.000 1.905) 3.092 16.369 ( -0.578 0.000 -2.322) 2.392 16.857 ( -16.452 0.000 17.358) 23.916 17.141 ( -22.662 0.000 -9.017) 24.390 17.485 ( -21.101 0.000 8.952) 22.921 17.699 ( -18.925 0.000 -10.988) 21.883 18.116 ( -19.333 0.000 7.506) 20.739 18.233 ( -15.702 0.000 -3.991) 16.202 18.376 ( -6.333 0.000 1.823) 6.590 18.429 ( -8.033 0.000 -1.779) 8.227 18.456 ( -8.846 0.000 4.759) 10.044 18.592 ( -10.250 0.000 -6.746) 12.271 19.193 ( -12.673 0.000 4.850) 13.569 19.273 ( -12.373 0.000 -2.476) 12.618 19.819 ( 13.281 0.000 4.230) 13.938 19.930 ( 12.840 0.000 -5.655) 14.030 20.180 ( 14.576 0.000 5.073) 15.434 20.244 ( 6.651 0.000 -0.412) 6.664 20.283 ( 10.662 0.000 0.682) 10.684 20.443 ( 24.589 0.000 -16.429) 29.572 20.594 ( 5.340 0.000 5.641) 7.768 20.761 ( 6.081 0.000 -10.155) 11.836 21.184 ( 3.847 0.000 6.532) 7.581 21.331 ( 1.755 0.000 -6.137) 6.383 21.739 ( 2.309 0.000 2.380) 3.317 21.781 ( 1.601 0.000 -1.328) 2.080 ======================= Grid point 101 (33/60) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 30.614 0.000 7.236) 31.458 1.745 ( 35.944 0.000 11.332) 37.688 1.803 ( 16.071 0.000 -21.920) 27.181 2.095 ( 29.211 0.000 -18.607) 34.634 2.675 ( 40.543 0.000 38.008) 55.573 2.846 ( 0.697 0.000 20.998) 21.009 2.910 ( 11.991 0.000 16.993) 20.797 3.186 ( 7.526 0.000 -9.687) 12.267 3.274 ( -2.320 0.000 -15.066) 15.244 3.558 ( 25.424 0.000 -28.597) 38.265 3.618 ( -4.343 0.000 3.044) 5.303 3.736 ( -5.912 0.000 -8.103) 10.030 3.882 ( 11.652 0.000 -9.831) 15.245 3.955 ( 2.927 0.000 -8.430) 8.924 4.437 ( 6.370 0.000 9.067) 11.081 4.448 ( -5.072 0.000 14.368) 15.237 4.550 ( -10.766 0.000 21.701) 24.225 4.617 ( 8.270 0.000 -4.547) 9.438 4.685 ( 8.972 0.000 -1.886) 9.168 4.724 ( 1.374 0.000 -8.305) 8.418 4.871 ( -2.241 0.000 -13.853) 14.033 5.051 ( 3.821 0.000 7.615) 8.520 5.056 ( -11.948 0.000 -18.347) 21.895 5.129 ( 10.609 0.000 8.903) 13.849 5.252 ( -0.573 0.000 -1.626) 1.724 5.452 ( 7.443 0.000 -5.346) 9.164 5.837 ( 10.063 0.000 29.314) 30.993 5.986 ( 9.514 0.000 -1.784) 9.680 6.215 ( -1.740 0.000 -0.677) 1.867 6.368 ( -1.057 0.000 -2.390) 2.613 6.612 ( 2.344 0.000 4.529) 5.099 6.720 ( -4.555 0.000 0.338) 4.567 6.867 ( -5.027 0.000 3.900) 6.362 6.930 ( -6.162 0.000 3.176) 6.932 7.049 ( -8.578 0.000 2.460) 8.923 7.077 ( 3.421 0.000 -19.427) 19.726 7.174 ( -2.354 0.000 -3.702) 4.386 7.211 ( -0.172 0.000 6.999) 7.002 7.304 ( -7.656 0.000 4.179) 8.723 7.361 ( 3.754 0.000 -2.932) 4.763 7.456 ( 1.712 0.000 -3.120) 3.559 7.505 ( -10.925 0.000 -8.281) 13.709 7.825 ( 6.428 0.000 9.662) 11.604 7.925 ( -2.284 0.000 -3.858) 4.483 7.988 ( 9.063 0.000 2.277) 9.344 8.007 ( -1.894 0.000 -4.615) 4.988 8.104 ( -1.339 0.000 -0.829) 1.575 8.208 ( -8.363 0.000 -3.517) 9.073 8.389 ( 3.459 0.000 5.602) 6.584 8.510 ( 10.387 0.000 9.873) 14.331 8.620 ( 4.475 0.000 -11.161) 12.025 8.798 ( 3.757 0.000 -1.075) 3.908 8.883 ( 8.658 0.000 -5.634) 10.330 8.967 ( -8.386 0.000 0.091) 8.386 9.137 ( -1.830 0.000 -2.175) 2.843 9.313 ( -7.157 0.000 -10.603) 12.793 9.631 ( -2.586 0.000 14.063) 14.299 9.916 ( -2.587 0.000 -11.989) 12.265 10.665 ( -5.853 0.000 6.774) 8.952 10.794 ( -4.771 0.000 -4.747) 6.731 13.352 ( -5.064 0.000 18.499) 19.180 13.541 ( -4.743 0.000 24.953) 25.400 13.666 ( -3.048 0.000 -12.823) 13.180 13.856 ( 11.106 0.000 0.947) 11.147 13.893 ( -2.745 0.000 -10.275) 10.635 13.904 ( 3.809 0.000 1.878) 4.247 14.014 ( 3.517 0.000 3.747) 5.139 14.262 ( -0.896 0.000 -8.297) 8.345 14.471 ( 2.017 0.000 -0.954) 2.231 14.572 ( 1.588 0.000 -2.344) 2.831 14.708 ( 1.641 0.000 2.979) 3.401 14.805 ( 4.211 0.000 13.901) 14.525 14.880 ( -1.275 0.000 0.262) 1.301 15.077 ( 1.330 0.000 -9.061) 9.158 15.262 ( 5.396 0.000 -0.881) 5.468 15.407 ( -4.192 0.000 -8.603) 9.569 15.521 ( -4.476 0.000 4.684) 6.479 15.542 ( -9.083 0.000 3.333) 9.675 15.767 ( 3.696 0.000 -0.067) 3.697 15.821 ( -1.422 0.000 -2.770) 3.113 16.186 ( 5.253 0.000 9.733) 11.060 16.262 ( -0.963 0.000 3.107) 3.253 16.281 ( -7.881 0.000 -3.291) 8.541 16.396 ( 3.736 0.000 -4.507) 5.855 16.838 ( 4.898 0.000 1.961) 5.276 16.887 ( -5.117 0.000 -2.272) 5.599 17.091 ( -14.791 0.000 6.702) 16.239 17.271 ( -22.662 0.000 -9.795) 24.688 17.666 ( -26.140 0.000 8.335) 27.437 17.826 ( -24.833 0.000 -7.070) 25.820 18.138 ( -19.999 0.000 6.692) 21.089 18.188 ( -12.289 0.000 1.454) 12.375 18.257 ( -12.377 0.000 -2.471) 12.621 18.309 ( -18.409 0.000 -6.936) 19.673 18.865 ( -20.257 0.000 5.317) 20.943 18.951 ( -19.757 0.000 -2.523) 19.917 20.105 ( 15.490 0.000 3.552) 15.892 20.206 ( 14.916 0.000 -5.785) 15.999 20.394 ( 9.481 0.000 0.582) 9.499 20.396 ( 8.567 0.000 0.094) 8.567 20.596 ( 16.116 0.000 6.924) 17.540 20.720 ( 8.403 0.000 7.277) 11.116 20.748 ( 8.734 0.000 -7.601) 11.578 20.922 ( 10.429 0.000 -8.358) 13.365 21.260 ( 3.847 0.000 2.316) 4.490 21.360 ( 0.930 0.000 -5.009) 5.095 21.778 ( 1.422 0.000 1.877) 2.355 21.809 ( 1.130 0.000 -0.675) 1.316 ======================= Grid point 102 (34/60) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.042 ( 30.132 0.000 0.247) 30.133 2.172 ( 22.001 0.000 -11.475) 24.814 2.421 ( 31.350 0.000 6.603) 32.038 2.623 ( 22.990 0.000 -11.634) 25.766 2.946 ( 11.118 0.000 17.128) 20.420 3.106 ( 7.486 0.000 10.795) 13.136 3.270 ( 8.642 0.000 -12.734) 15.390 3.279 ( 2.771 0.000 -5.142) 5.841 3.436 ( 24.036 0.000 23.333) 33.499 3.574 ( 8.008 0.000 5.539) 9.737 3.622 ( -5.181 0.000 -6.107) 8.009 4.004 ( 13.712 0.000 -2.501) 13.938 4.045 ( 3.480 0.000 -11.220) 11.748 4.055 ( 6.684 0.000 -3.885) 7.732 4.249 ( -14.316 0.000 20.076) 24.657 4.415 ( 7.220 0.000 -2.085) 7.515 4.636 ( 5.652 0.000 5.169) 7.659 4.734 ( -6.440 0.000 -13.366) 14.837 4.736 ( 3.675 0.000 -8.888) 9.618 4.846 ( 3.181 0.000 -12.433) 12.834 4.882 ( 5.689 0.000 -3.822) 6.853 4.935 ( 16.778 0.000 -9.736) 19.398 5.170 ( 6.946 0.000 2.573) 7.407 5.224 ( 3.418 0.000 -1.749) 3.839 5.443 ( 13.405 0.000 11.046) 17.370 5.616 ( 8.269 0.000 -2.711) 8.702 6.008 ( 4.105 0.000 28.829) 29.119 6.096 ( -0.412 0.000 2.022) 2.063 6.195 ( 1.457 0.000 -5.494) 5.684 6.370 ( 2.043 0.000 -2.245) 3.035 6.564 ( -10.588 0.000 1.585) 10.706 6.606 ( -5.100 0.000 7.356) 8.951 6.792 ( -1.166 0.000 8.759) 8.836 6.832 ( -3.575 0.000 -2.525) 4.377 6.841 ( -10.448 0.000 -0.479) 10.459 6.985 ( -12.518 0.000 -2.689) 12.804 7.084 ( -11.102 0.000 -2.902) 11.476 7.113 ( -1.506 0.000 -18.234) 18.296 7.147 ( -7.185 0.000 5.904) 9.299 7.323 ( -4.185 0.000 -9.923) 10.769 7.522 ( 8.685 0.000 2.572) 9.058 7.541 ( -2.316 0.000 2.389) 3.328 7.719 ( -15.033 0.000 3.191) 15.368 7.808 ( -1.225 0.000 -3.719) 3.916 7.936 ( -7.793 0.000 1.410) 7.920 7.993 ( -3.712 0.000 -5.941) 7.005 8.164 ( 4.851 0.000 -1.310) 5.025 8.211 ( 8.364 0.000 -2.627) 8.767 8.522 ( 7.009 0.000 8.312) 10.873 8.658 ( -4.429 0.000 2.514) 5.093 8.697 ( -2.296 0.000 3.475) 4.165 8.723 ( -0.918 0.000 4.732) 4.820 8.874 ( 10.354 0.000 10.871) 15.013 9.047 ( -1.282 0.000 -1.678) 2.111 9.162 ( -7.625 0.000 -7.308) 10.561 9.240 ( 13.634 0.000 -17.712) 22.351 9.586 ( -1.038 0.000 10.577) 10.628 9.846 ( -4.675 0.000 -11.884) 12.771 10.515 ( -9.704 0.000 8.098) 12.639 10.667 ( -8.449 0.000 -5.534) 10.100 13.283 ( -1.898 0.000 18.682) 18.778 13.468 ( -3.214 0.000 21.176) 21.418 13.620 ( -1.255 0.000 -13.151) 13.210 13.862 ( -0.616 0.000 -12.688) 12.703 13.956 ( 4.219 0.000 5.075) 6.599 14.076 ( 9.630 0.000 0.470) 9.641 14.207 ( 12.720 0.000 -3.354) 13.154 14.257 ( 1.380 0.000 -13.912) 13.980 14.521 ( 3.739 0.000 -0.777) 3.819 14.607 ( 3.763 0.000 -0.507) 3.797 14.738 ( 1.559 0.000 3.759) 4.069 14.845 ( -2.738 0.000 4.374) 5.160 14.926 ( 6.570 0.000 9.831) 11.824 15.114 ( 1.433 0.000 -10.520) 10.617 15.334 ( -2.948 0.000 -3.183) 4.339 15.372 ( 4.983 0.000 -4.308) 6.588 15.383 ( -7.786 0.000 3.579) 8.569 15.402 ( -4.565 0.000 0.764) 4.628 15.835 ( 1.967 0.000 0.550) 2.042 15.866 ( 6.380 0.000 -3.832) 7.443 16.114 ( -9.777 0.000 1.860) 9.952 16.143 ( -4.963 0.000 -0.598) 4.999 16.319 ( -11.508 0.000 5.409) 12.716 16.359 ( 1.325 0.000 4.408) 4.603 16.774 ( -8.327 0.000 -1.229) 8.418 16.853 ( 6.516 0.000 -5.761) 8.697 17.052 ( -4.391 0.000 3.110) 5.381 17.062 ( 5.275 0.000 0.839) 5.341 17.184 ( -16.871 0.000 4.670) 17.505 17.329 ( -25.467 0.000 -7.900) 26.664 17.705 ( -24.200 0.000 8.807) 25.753 17.890 ( -21.262 0.000 -7.875) 22.673 17.957 ( -14.302 0.000 0.518) 14.312 18.006 ( -13.068 0.000 -3.084) 13.427 18.449 ( -22.347 0.000 6.407) 23.248 18.553 ( -20.939 0.000 -3.119) 21.170 20.389 ( 13.653 0.000 3.056) 13.991 20.469 ( 11.549 0.000 -3.952) 12.206 20.557 ( 8.038 0.000 0.445) 8.051 20.577 ( 10.085 0.000 -1.831) 10.250 20.760 ( 3.843 0.000 2.633) 4.659 20.847 ( 2.647 0.000 -5.467) 6.074 20.978 ( 15.040 0.000 9.700) 17.897 21.097 ( 5.781 0.000 1.538) 5.982 21.346 ( 5.961 0.000 -4.627) 7.546 21.359 ( -1.085 0.000 -3.613) 3.773 21.785 ( -0.849 0.000 2.052) 2.221 21.821 ( 0.009 0.000 -1.044) 1.044 ======================= Grid point 103 (35/60) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.587 ( 26.069 0.000 -0.768) 26.081 2.594 ( 20.711 0.000 -0.900) 20.730 2.901 ( 20.638 0.000 -2.832) 20.832 2.923 ( 9.957 0.000 -4.076) 10.759 3.173 ( -0.284 0.000 6.367) 6.373 3.246 ( 12.111 0.000 5.760) 13.411 3.301 ( 0.799 0.000 -2.830) 2.941 3.403 ( 4.286 0.000 -7.277) 8.445 3.585 ( 2.681 0.000 1.286) 2.974 3.603 ( 8.516 0.000 1.408) 8.632 3.845 ( -11.481 0.000 13.347) 17.606 3.901 ( -5.822 0.000 13.591) 14.786 4.127 ( -9.083 0.000 -11.273) 14.477 4.135 ( 16.879 0.000 -2.650) 17.085 4.296 ( 14.625 0.000 5.911) 15.774 4.516 ( 2.175 0.000 -8.358) 8.636 4.664 ( 6.146 0.000 0.499) 6.166 4.763 ( 12.134 0.000 -6.873) 13.945 4.940 ( 10.516 0.000 -1.009) 10.565 5.073 ( 13.991 0.000 7.577) 15.910 5.076 ( 16.857 0.000 -16.071) 23.290 5.253 ( 10.133 0.000 -6.114) 11.835 5.283 ( 4.021 0.000 0.148) 4.024 5.307 ( 8.579 0.000 -4.383) 9.634 5.654 ( 7.391 0.000 4.971) 8.907 5.724 ( 1.830 0.000 -1.176) 2.175 5.930 ( -8.891 0.000 13.299) 15.998 5.959 ( -12.201 0.000 9.214) 15.289 6.248 ( -0.468 0.000 1.316) 1.397 6.366 ( -8.164 0.000 -6.342) 10.338 6.407 ( -0.625 0.000 0.567) 0.844 6.464 ( -8.146 0.000 4.354) 9.237 6.678 ( -2.901 0.000 2.753) 3.999 6.759 ( -3.615 0.000 2.722) 4.525 6.781 ( -2.645 0.000 -4.950) 5.612 6.821 ( -10.938 0.000 -3.599) 11.515 6.848 ( -3.376 0.000 4.365) 5.518 7.087 ( 3.605 0.000 8.266) 9.018 7.104 ( -2.530 0.000 -11.515) 11.790 7.314 ( 3.825 0.000 -13.144) 13.689 7.346 ( -14.371 0.000 5.109) 15.252 7.379 ( -16.137 0.000 2.381) 16.312 7.642 ( -1.937 0.000 2.153) 2.896 7.724 ( -8.983 0.000 -4.557) 10.073 7.867 ( 3.826 0.000 7.115) 8.079 8.009 ( 4.467 0.000 -6.389) 7.796 8.258 ( 2.952 0.000 -0.110) 2.954 8.320 ( 0.603 0.000 -3.877) 3.924 8.520 ( -6.741 0.000 4.107) 7.893 8.562 ( -3.036 0.000 -0.077) 3.037 8.661 ( -3.741 0.000 2.654) 4.587 8.677 ( 1.745 0.000 -1.255) 2.149 9.038 ( 1.269 0.000 2.231) 2.566 9.052 ( 3.016 0.000 -3.385) 4.534 9.216 ( 14.371 0.000 10.182) 17.613 9.371 ( -1.290 0.000 3.446) 3.679 9.686 ( 12.092 0.000 -7.617) 14.291 9.747 ( -4.717 0.000 -9.185) 10.326 10.295 ( -13.094 0.000 9.537) 16.200 10.473 ( -11.589 0.000 -6.654) 13.363 13.273 ( 0.579 0.000 16.203) 16.213 13.408 ( -3.143 0.000 18.972) 19.231 13.624 ( 1.637 0.000 -15.673) 15.758 13.845 ( -2.086 0.000 -17.335) 17.460 14.085 ( 9.050 0.000 0.607) 9.070 14.150 ( 1.913 0.000 -6.488) 6.764 14.400 ( 10.147 0.000 -1.204) 10.218 14.432 ( 9.127 0.000 -2.464) 9.454 14.642 ( 9.198 0.000 4.150) 10.091 14.656 ( -0.643 0.000 10.134) 10.155 14.769 ( -4.505 0.000 3.222) 5.539 14.831 ( 8.525 0.000 -8.090) 11.753 14.991 ( 0.919 0.000 3.264) 3.390 15.103 ( -2.558 0.000 -7.803) 8.212 15.248 ( -4.512 0.000 5.640) 7.223 15.352 ( 3.052 0.000 5.527) 6.314 15.361 ( -1.695 0.000 -1.930) 2.569 15.432 ( 2.037 0.000 -3.633) 4.165 15.774 ( -12.659 0.000 7.285) 14.606 15.938 ( -6.506 0.000 -5.998) 8.849 15.968 ( 0.376 0.000 1.909) 1.946 16.068 ( 1.933 0.000 -7.433) 7.681 16.155 ( -4.669 0.000 2.952) 5.524 16.214 ( -7.499 0.000 -3.611) 8.323 16.717 ( -14.533 0.000 6.938) 16.104 16.864 ( -19.476 0.000 -7.015) 20.701 16.866 ( 11.533 0.000 10.025) 15.281 17.033 ( 5.930 0.000 -4.998) 7.755 17.198 ( 5.665 0.000 1.462) 5.851 17.221 ( 6.399 0.000 -0.949) 6.469 17.262 ( -16.840 0.000 7.834) 18.573 17.458 ( -21.920 0.000 -10.159) 24.160 17.717 ( -11.186 0.000 1.856) 11.339 17.779 ( -9.968 0.000 -3.672) 10.623 18.026 ( -21.234 0.000 8.348) 22.816 18.166 ( -18.985 0.000 -4.506) 19.513 20.615 ( 9.398 0.000 1.121) 9.464 20.634 ( 6.240 0.000 -0.616) 6.271 20.710 ( 8.208 0.000 2.271) 8.516 20.776 ( 6.631 0.000 -1.926) 6.905 20.814 ( 5.268 0.000 -1.019) 5.366 20.867 ( -0.301 0.000 -4.125) 4.136 21.122 ( -2.286 0.000 5.961) 6.385 21.203 ( 5.044 0.000 1.000) 5.142 21.349 ( 3.242 0.000 3.229) 4.576 21.493 ( 8.407 0.000 -7.122) 11.018 21.743 ( -3.523 0.000 3.191) 4.753 21.804 ( -1.827 0.000 -2.181) 2.845 ======================= Grid point 104 (36/60) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.942 ( 15.461 0.000 1.448) 15.529 2.982 ( 11.821 0.000 -2.307) 12.044 3.104 ( 1.573 0.000 3.004) 3.391 3.153 ( 9.853 0.000 6.156) 11.618 3.180 ( -8.368 0.000 -4.295) 9.405 3.312 ( 20.172 0.000 -7.048) 21.368 3.413 ( 6.520 0.000 1.565) 6.705 3.427 ( -6.716 0.000 3.952) 7.793 3.528 ( -8.018 0.000 7.176) 10.760 3.608 ( -5.153 0.000 0.597) 5.187 3.653 ( -3.482 0.000 -3.274) 4.780 3.746 ( -19.756 0.000 -7.252) 21.045 4.159 ( 19.273 0.000 6.823) 20.445 4.390 ( 11.241 0.000 -13.610) 17.652 4.471 ( -9.752 0.000 1.413) 9.854 4.506 ( 1.489 0.000 -3.113) 3.451 4.944 ( 18.894 0.000 11.618) 22.180 5.016 ( 13.399 0.000 0.067) 13.399 5.130 ( 6.524 0.000 6.980) 9.554 5.233 ( -7.636 0.000 2.102) 7.920 5.265 ( 1.351 0.000 3.019) 3.308 5.338 ( 3.163 0.000 -0.440) 3.194 5.408 ( 14.878 0.000 -15.814) 21.712 5.516 ( 5.664 0.000 -9.694) 11.227 5.656 ( -5.928 0.000 5.353) 7.988 5.711 ( -0.293 0.000 -0.876) 0.924 5.725 ( -9.476 0.000 6.196) 11.322 5.763 ( -7.125 0.000 3.480) 7.929 6.219 ( 0.475 0.000 0.844) 0.968 6.282 ( 0.067 0.000 -5.840) 5.840 6.297 ( -7.304 0.000 -3.734) 8.203 6.343 ( -4.901 0.000 -4.366) 6.564 6.696 ( 1.044 0.000 8.020) 8.088 6.702 ( -0.167 0.000 1.256) 1.267 6.747 ( -2.821 0.000 0.881) 2.955 6.748 ( -3.235 0.000 2.305) 3.972 6.817 ( 8.422 0.000 5.795) 10.224 7.038 ( -1.444 0.000 -8.027) 8.155 7.057 ( -14.609 0.000 3.517) 15.026 7.120 ( -9.666 0.000 -1.856) 9.842 7.266 ( 12.457 0.000 6.678) 14.134 7.436 ( 7.249 0.000 -8.398) 11.094 7.512 ( -12.399 0.000 1.748) 12.522 7.558 ( -5.299 0.000 -1.945) 5.645 8.010 ( 9.395 0.000 3.446) 10.007 8.106 ( 5.640 0.000 -4.846) 7.436 8.199 ( -8.793 0.000 0.219) 8.796 8.231 ( -7.095 0.000 -2.090) 7.397 8.483 ( 3.055 0.000 4.246) 5.231 8.568 ( 2.823 0.000 -2.963) 4.093 8.570 ( -5.107 0.000 3.899) 6.426 8.641 ( -4.229 0.000 -3.103) 5.245 9.153 ( 6.759 0.000 -0.017) 6.759 9.179 ( 11.006 0.000 -2.185) 11.221 9.284 ( -6.341 0.000 4.458) 7.751 9.349 ( -3.484 0.000 -0.237) 3.492 9.769 ( 9.445 0.000 5.137) 10.752 9.955 ( 14.581 0.000 -9.656) 17.488 10.023 ( -14.683 0.000 10.407) 17.997 10.228 ( -13.663 0.000 -8.126) 15.897 13.299 ( 2.069 0.000 15.587) 15.723 13.348 ( -2.941 0.000 16.856) 17.110 13.679 ( 4.034 0.000 -18.659) 19.090 13.770 ( -5.026 0.000 -20.509) 21.116 14.252 ( 8.432 0.000 0.965) 8.487 14.286 ( 11.146 0.000 -1.923) 11.310 14.428 ( -7.818 0.000 4.047) 8.803 14.472 ( -6.216 0.000 -0.892) 6.280 14.731 ( 9.332 0.000 1.268) 9.417 14.753 ( 4.713 0.000 -0.366) 4.727 14.813 ( 3.584 0.000 4.630) 5.855 14.878 ( -4.312 0.000 0.721) 4.372 15.071 ( 3.138 0.000 -0.201) 3.144 15.106 ( 9.105 0.000 -2.398) 9.416 15.208 ( -0.731 0.000 7.109) 7.146 15.242 ( -10.208 0.000 4.528) 11.168 15.384 ( 0.895 0.000 1.951) 2.147 15.515 ( -11.507 0.000 4.741) 12.446 15.517 ( 7.155 0.000 -10.460) 12.674 15.706 ( -12.319 0.000 -10.734) 16.339 16.037 ( 4.523 0.000 5.096) 6.814 16.098 ( -2.170 0.000 3.695) 4.285 16.116 ( 1.421 0.000 0.245) 1.442 16.155 ( -2.129 0.000 -1.693) 2.720 16.635 ( -2.205 0.000 -1.411) 2.618 16.658 ( 9.211 0.000 -4.787) 10.381 16.792 ( -16.345 0.000 5.940) 17.391 16.935 ( -13.780 0.000 -6.096) 15.068 17.244 ( 8.010 0.000 3.273) 8.653 17.286 ( 6.105 0.000 -0.334) 6.114 17.319 ( 3.956 0.000 0.632) 4.006 17.338 ( 4.221 0.000 -1.130) 4.370 17.537 ( -6.143 0.000 4.847) 7.826 17.653 ( -16.432 0.000 10.106) 19.291 17.667 ( 0.665 0.000 -6.306) 6.341 17.837 ( -14.647 0.000 -6.467) 16.011 20.729 ( 3.804 0.000 0.530) 3.840 20.749 ( 5.070 0.000 -1.454) 5.274 20.783 ( -1.744 0.000 1.259) 2.151 20.818 ( -1.402 0.000 -1.564) 2.101 20.895 ( 7.217 0.000 3.426) 7.989 20.997 ( 9.431 0.000 -5.389) 10.862 21.036 ( -6.318 0.000 5.563) 8.418 21.153 ( -6.517 0.000 -5.162) 8.314 21.501 ( 8.878 0.000 7.022) 11.319 21.642 ( 6.747 0.000 -5.506) 8.708 21.649 ( -6.339 0.000 5.001) 8.074 21.747 ( -4.207 0.000 -3.736) 5.626 ======================= Grid point 110 (37/60) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 0.000 24.416 26.335) 35.912 1.168 ( 0.000 30.051 27.177) 40.517 1.603 ( 0.000 21.684 -17.769) 28.034 1.810 ( 0.000 19.033 -32.300) 37.491 1.837 ( 0.000 32.998 39.121) 51.179 2.754 ( 0.000 13.451 21.309) 25.199 2.835 ( 0.000 16.959 -36.090) 39.876 3.058 ( 0.000 9.702 24.969) 26.788 3.254 ( 0.000 12.215 -23.158) 26.182 3.496 ( 0.000 6.312 -16.223) 17.408 3.715 ( 0.000 12.323 -0.384) 12.329 3.823 ( 0.000 12.522 -5.577) 13.708 3.864 ( 0.000 0.299 -0.848) 0.899 3.957 ( 0.000 5.058 -7.734) 9.241 4.427 ( 0.000 -6.284 11.089) 12.746 4.436 ( 0.000 -2.467 8.540) 8.889 4.558 ( 0.000 -3.709 0.732) 3.780 4.589 ( 0.000 5.304 0.900) 5.380 4.603 ( 0.000 -0.617 8.999) 9.021 4.641 ( 0.000 8.197 -1.949) 8.425 4.710 ( 0.000 2.336 -13.309) 13.513 5.043 ( 0.000 -20.514 -21.392) 29.638 5.143 ( 0.000 3.234 6.836) 7.562 5.255 ( 0.000 0.379 -3.752) 3.771 5.268 ( 0.000 16.226 27.618) 32.032 5.652 ( 0.000 4.688 25.852) 26.274 5.667 ( 0.000 -0.019 14.749) 14.749 5.868 ( 0.000 18.289 -26.814) 32.457 6.390 ( 0.000 1.349 3.492) 3.744 6.523 ( 0.000 1.504 2.542) 2.954 6.578 ( 0.000 4.561 0.540) 4.593 6.616 ( 0.000 2.750 -5.112) 5.805 6.746 ( 0.000 4.729 -4.048) 6.225 6.966 ( 0.000 -1.914 2.138) 2.869 6.997 ( 0.000 -1.712 0.143) 1.718 7.004 ( 0.000 2.435 -25.016) 25.134 7.116 ( 0.000 0.005 5.571) 5.571 7.130 ( 0.000 -10.909 13.805) 17.595 7.152 ( 0.000 -0.183 4.963) 4.967 7.271 ( 0.000 3.729 -8.987) 9.730 7.298 ( 0.000 -1.894 1.493) 2.412 7.378 ( 0.000 -4.611 -1.861) 4.972 7.664 ( 0.000 -6.193 -1.397) 6.349 7.793 ( 0.000 -6.168 -7.494) 9.706 7.865 ( 0.000 5.587 0.824) 5.648 8.007 ( 0.000 6.296 -9.681) 11.548 8.159 ( 0.000 -4.299 11.631) 12.400 8.395 ( 0.000 5.342 4.145) 6.761 8.467 ( 0.000 9.859 -2.882) 10.272 8.473 ( 0.000 -3.929 -15.584) 16.072 8.621 ( 0.000 15.039 7.976) 17.023 8.917 ( 0.000 23.173 -15.271) 27.752 9.014 ( 0.000 3.556 14.881) 15.300 9.073 ( 0.000 -7.542 1.022) 7.611 9.086 ( 0.000 -6.340 -0.140) 6.342 9.411 ( 0.000 -4.803 -13.771) 14.584 9.644 ( 0.000 -3.603 14.088) 14.542 9.928 ( 0.000 -2.890 -11.602) 11.957 10.734 ( 0.000 -3.493 5.204) 6.267 10.836 ( 0.000 -3.443 -3.853) 5.166 13.498 ( 0.000 -1.634 13.949) 14.044 13.536 ( 0.000 -2.637 5.292) 5.912 13.702 ( 0.000 4.530 -9.894) 10.882 13.720 ( 0.000 -3.367 17.194) 17.520 13.808 ( 0.000 -3.888 -5.227) 6.515 13.999 ( 0.000 2.815 -7.984) 8.466 14.057 ( 0.000 -6.788 12.934) 14.607 14.339 ( 0.000 4.484 3.361) 5.604 14.380 ( 0.000 -8.444 -15.213) 17.400 14.498 ( 0.000 4.431 -6.964) 8.254 14.747 ( 0.000 13.469 14.285) 19.633 14.752 ( 0.000 -0.973 14.915) 14.947 15.005 ( 0.000 0.048 -8.416) 8.416 15.087 ( 0.000 14.257 -14.716) 20.490 15.373 ( 0.000 -5.585 12.509) 13.699 15.444 ( 0.000 10.198 22.722) 24.905 15.602 ( 0.000 -4.176 -8.100) 9.113 15.680 ( 0.000 1.659 -0.973) 1.924 15.845 ( 0.000 -0.461 4.561) 4.584 16.083 ( 0.000 3.672 7.721) 8.549 16.160 ( 0.000 11.677 -23.338) 26.096 16.205 ( 0.000 -2.481 -2.966) 3.867 16.400 ( 0.000 4.952 -0.589) 4.987 16.415 ( 0.000 4.823 -1.731) 5.124 17.377 ( 0.000 -5.747 3.455) 6.706 17.448 ( 0.000 -2.174 -2.870) 3.600 17.739 ( 0.000 -2.223 5.975) 6.375 17.911 ( 0.000 -0.993 -10.062) 10.111 18.202 ( 0.000 -12.757 -0.291) 12.760 18.248 ( 0.000 -8.327 -4.299) 9.371 18.367 ( 0.000 2.542 10.053) 10.370 18.429 ( 0.000 -8.256 3.690) 9.043 18.541 ( 0.000 4.282 -6.165) 7.506 18.554 ( 0.000 -11.257 -7.886) 13.744 19.002 ( 0.000 -24.375 7.728) 25.571 19.128 ( 0.000 -22.507 -4.006) 22.860 19.453 ( 0.000 -1.794 12.666) 12.793 19.678 ( 0.000 4.485 -9.532) 10.535 20.140 ( 0.000 9.517 6.777) 11.683 20.263 ( 0.000 11.418 -5.014) 12.470 20.496 ( 0.000 -4.134 6.069) 7.343 20.517 ( 0.000 24.569 4.529) 24.983 20.661 ( 0.000 26.500 -10.068) 28.348 20.665 ( 0.000 -3.246 -9.574) 10.109 21.122 ( 0.000 -1.722 9.643) 9.796 21.300 ( 0.000 -1.159 -6.910) 7.007 21.702 ( 0.000 -0.939 2.689) 2.848 21.752 ( 0.000 -0.825 -1.774) 1.956 ======================= Grid point 111 (38/60) ======================= q-point: ( 0.09 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 5.352 21.141 25.502) 33.555 1.310 ( 19.788 16.064 23.270) 34.513 1.673 ( 4.941 14.611 -25.725) 29.994 1.879 ( 11.308 18.536 -27.761) 35.244 2.236 ( 31.679 27.935 34.484) 54.525 2.818 ( 5.838 12.746 23.020) 26.953 2.964 ( 6.888 11.938 -8.964) 16.441 3.069 ( 4.562 10.137 4.555) 12.013 3.323 ( 6.129 10.616 -21.485) 24.736 3.463 ( 0.025 9.681 -17.765) 20.231 3.761 ( -1.768 8.951 0.199) 9.126 3.780 ( 3.116 8.681 -3.301) 9.796 3.879 ( -0.764 4.208 -3.953) 5.824 3.962 ( 0.777 4.970 -10.546) 11.684 4.368 ( -4.699 -11.291 10.579) 16.170 4.398 ( -1.591 0.100 4.333) 4.617 4.528 ( -0.104 -3.013 3.129) 4.345 4.621 ( 4.507 7.454 3.280) 9.308 4.676 ( 5.912 0.156 3.256) 6.751 4.719 ( 3.867 5.976 -4.404) 8.370 4.824 ( 7.143 1.923 -7.624) 10.623 5.025 ( 0.042 -8.816 -12.171) 15.029 5.108 ( -2.283 2.749 6.702) 7.594 5.221 ( -3.578 7.504 5.888) 10.188 5.230 ( -0.703 5.584 9.005) 10.619 5.581 ( -7.341 5.756 2.304) 9.609 5.734 ( 7.407 4.572 22.337) 23.973 5.945 ( 6.856 14.028 -11.418) 19.343 6.282 ( -5.620 1.329 1.482) 5.962 6.456 ( -3.774 5.320 -4.742) 8.064 6.574 ( -0.076 -0.610 7.090) 7.117 6.727 ( 6.253 1.588 3.231) 7.216 6.829 ( 5.896 -2.065 -7.138) 9.486 6.978 ( -8.658 -5.479 9.837) 14.204 6.993 ( 0.358 1.183 -21.523) 21.559 7.104 ( 5.886 0.960 3.600) 6.966 7.125 ( -0.397 -4.227 5.455) 6.913 7.214 ( -1.663 -6.616 2.420) 7.238 7.270 ( 3.393 -0.434 1.673) 3.808 7.312 ( 9.760 -2.161 -1.208) 10.069 7.397 ( 12.823 -7.368 -6.621) 16.204 7.439 ( 5.738 -4.537 -2.000) 7.583 7.594 ( -3.977 -5.675 0.536) 6.950 7.703 ( 0.164 -7.827 -8.775) 11.759 7.959 ( 5.424 4.708 -1.867) 7.421 8.029 ( 0.935 4.004 -7.235) 8.322 8.146 ( -0.721 -1.346 9.653) 9.773 8.346 ( -3.884 5.126 -3.042) 7.114 8.448 ( -1.619 4.075 -1.448) 4.618 8.481 ( -1.220 -0.110 -5.174) 5.317 8.627 ( 2.054 13.984 5.325) 15.104 8.912 ( -3.492 3.344 12.647) 13.540 8.930 ( -1.940 14.304 -16.451) 21.886 9.057 ( -2.011 -3.644 -3.620) 5.516 9.116 ( 1.169 -1.426 4.794) 5.136 9.382 ( -2.848 -3.930 -12.091) 13.029 9.639 ( -0.633 -3.020 14.294) 14.623 9.933 ( 0.151 -1.719 -12.494) 12.613 10.713 ( -2.280 -3.240 5.678) 6.924 10.823 ( -1.476 -3.251 -4.136) 5.464 13.438 ( -5.273 -2.821 17.480) 18.474 13.583 ( 3.552 -3.118 5.361) 7.147 13.659 ( -2.102 2.557 15.334) 15.688 13.751 ( 1.618 1.826 -6.568) 7.007 13.811 ( 1.044 -2.559 -4.302) 5.113 13.990 ( -0.807 4.777 -9.656) 10.803 14.072 ( 1.371 -2.743 9.952) 10.414 14.332 ( -3.839 0.275 -7.764) 8.666 14.381 ( 3.483 2.916 -0.132) 4.545 14.509 ( 1.962 -2.007 -9.623) 10.024 14.726 ( -0.830 4.588 12.966) 13.779 14.788 ( 2.120 7.646 14.813) 16.804 15.005 ( -0.042 1.854 -9.728) 9.904 15.108 ( 0.758 12.955 -12.555) 18.056 15.316 ( -3.268 3.386 13.981) 14.752 15.458 ( 1.259 1.023 13.975) 14.069 15.563 ( -4.569 -1.771 -6.905) 8.467 15.686 ( 0.673 1.448 -3.529) 3.873 15.839 ( -0.402 0.320 0.861) 1.002 15.967 ( -10.002 7.678 -12.266) 17.591 16.135 ( 0.755 3.041 5.661) 6.470 16.218 ( -0.569 -3.879 -0.953) 4.035 16.443 ( 0.704 7.101 1.658) 7.326 16.501 ( 1.795 13.275 -3.511) 13.848 16.865 ( -20.312 0.257 13.094) 24.169 17.107 ( -22.881 -2.645 -9.216) 24.808 17.488 ( -19.459 0.135 9.180) 21.516 17.699 ( -18.218 -0.134 -10.793) 21.175 18.110 ( -18.185 -1.708 7.013) 19.565 18.230 ( -12.075 -1.242 -5.287) 13.240 18.266 ( -7.373 -8.749 2.811) 11.782 18.353 ( -10.216 -7.414 -4.233) 13.314 18.431 ( -5.924 -1.817 5.130) 8.045 18.571 ( -3.916 -1.961 -7.691) 8.850 19.030 ( -2.868 -14.402 8.100) 16.770 19.182 ( -2.201 -11.067 -6.132) 12.842 19.606 ( 15.415 -9.649 9.264) 20.409 19.810 ( 13.141 -4.966 -9.676) 17.058 20.213 ( 7.739 5.458 5.728) 11.068 20.316 ( 6.198 5.826 -3.885) 9.352 20.549 ( 5.223 -0.544 4.393) 6.846 20.572 ( 5.748 18.691 3.335) 19.837 20.708 ( 4.583 8.376 -6.306) 11.442 20.748 ( 7.015 5.322 -9.255) 12.774 21.169 ( 3.981 -1.437 7.923) 8.983 21.324 ( 1.885 -0.883 -6.018) 6.368 21.735 ( 2.509 -0.625 1.535) 3.006 21.769 ( 1.431 -1.194 -1.249) 2.243 ======================= Grid point 112 (39/60) ======================= q-point: ( 0.18 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 26.263 1.168 12.451) 29.089 1.760 ( 21.252 0.423 -4.596) 21.747 1.874 ( 21.322 12.574 -0.894) 24.770 2.239 ( 23.805 11.817 -20.736) 33.709 2.731 ( 11.709 3.736 22.277) 25.442 3.025 ( 15.029 15.001 18.400) 28.097 3.089 ( 12.442 14.042 8.928) 20.777 3.187 ( 7.071 6.508 -3.975) 10.400 3.343 ( 0.103 6.665 -7.362) 9.931 3.622 ( 1.625 3.277 -3.810) 5.282 3.748 ( 10.597 12.294 -8.477) 18.312 3.811 ( -2.012 6.448 -6.553) 9.411 3.920 ( 4.296 3.456 -5.905) 8.078 4.016 ( 7.516 6.482 -12.789) 16.188 4.242 ( -6.489 -9.854 9.383) 15.074 4.436 ( 4.124 -5.519 2.146) 7.216 4.590 ( 1.785 -3.132 -3.286) 4.878 4.663 ( -3.668 1.404 4.056) 5.646 4.731 ( 6.150 7.299 -1.501) 9.662 4.809 ( 7.071 9.737 1.103) 12.085 4.892 ( 0.478 6.470 -4.095) 7.672 5.098 ( 5.783 3.895 -4.299) 8.192 5.154 ( -2.393 6.839 -2.699) 7.732 5.161 ( 7.311 4.389 6.036) 10.448 5.262 ( 2.527 1.474 2.127) 3.617 5.462 ( -1.213 2.758 -3.593) 4.689 5.909 ( 9.816 5.813 21.803) 24.607 6.088 ( 6.011 8.648 0.876) 10.569 6.210 ( -2.598 -0.497 -3.864) 4.683 6.380 ( -4.152 -0.265 -1.774) 4.523 6.559 ( -2.752 -4.298 6.920) 8.598 6.774 ( -1.653 3.655 -1.140) 4.170 6.807 ( -6.232 -5.350 9.937) 12.892 6.862 ( -3.021 -3.911 -1.897) 5.294 7.009 ( -9.872 -5.074 -2.756) 11.437 7.035 ( 1.201 -3.434 -17.251) 17.630 7.165 ( 0.886 -2.149 -1.367) 2.697 7.187 ( -4.897 -1.527 2.303) 5.623 7.247 ( -5.532 -2.690 4.985) 7.918 7.398 ( 1.176 -4.011 -3.503) 5.454 7.437 ( 1.515 4.334 -4.459) 6.401 7.448 ( -1.830 -3.415 -1.879) 4.306 7.714 ( 11.293 -8.877 7.802) 16.347 7.878 ( 6.640 -8.571 -5.915) 12.351 7.979 ( -6.829 1.146 -0.483) 6.941 8.036 ( 0.869 1.094 -4.763) 4.964 8.167 ( 3.680 5.090 5.301) 8.218 8.251 ( -5.323 4.615 -1.220) 7.150 8.402 ( 0.982 2.614 1.782) 3.313 8.534 ( 5.765 0.429 -5.514) 7.989 8.694 ( 3.997 7.724 9.180) 12.645 8.778 ( -5.978 -3.595 12.204) 14.057 8.944 ( -3.427 3.054 -3.682) 5.884 9.064 ( 4.483 1.968 -14.858) 15.644 9.123 ( 1.902 9.077 -1.891) 9.465 9.309 ( -4.453 -0.885 -9.244) 10.299 9.617 ( -1.563 -1.372 14.797) 14.942 9.922 ( -1.497 0.382 -13.377) 13.466 10.642 ( -5.295 -2.447 6.828) 8.980 10.771 ( -4.176 -2.468 -4.754) 6.792 13.342 ( -3.867 -0.668 20.754) 21.122 13.576 ( -3.038 3.804 20.281) 20.857 13.655 ( -0.522 -0.017 -9.650) 9.664 13.827 ( 6.377 -1.474 -0.124) 6.546 13.872 ( 5.826 -2.393 -2.421) 6.747 13.961 ( -1.995 6.248 -11.890) 13.579 14.105 ( 2.015 5.557 6.974) 9.142 14.289 ( 1.190 0.576 -6.626) 6.756 14.481 ( 5.568 5.752 -2.453) 8.373 14.544 ( 1.416 -5.212 -10.159) 11.505 14.717 ( 0.059 3.425 11.844) 12.330 14.837 ( 3.235 5.512 12.482) 14.023 14.990 ( -1.618 5.961 -8.735) 10.699 15.111 ( 0.916 7.265 -7.343) 10.370 15.299 ( -0.052 2.851 1.827) 3.386 15.434 ( -4.711 1.144 -1.099) 4.971 15.484 ( -1.879 -0.763 5.069) 5.459 15.631 ( -8.685 4.383 -5.529) 11.190 15.824 ( 1.321 4.741 -0.870) 4.998 15.851 ( -0.497 2.839 -2.088) 3.559 16.182 ( 2.100 -0.509 3.451) 4.072 16.190 ( -2.489 -4.236 1.427) 5.116 16.294 ( -7.892 -0.990 9.224) 12.180 16.452 ( -6.298 5.819 -4.412) 9.643 16.829 ( -3.443 -3.649 -1.023) 5.120 16.868 ( 2.448 1.695 -4.510) 5.404 17.147 ( -10.767 5.396 7.846) 14.373 17.315 ( -18.072 3.326 -8.209) 20.126 17.672 ( -25.121 0.298 8.445) 26.504 17.842 ( -24.427 0.819 -7.752) 25.641 18.058 ( -14.914 -7.206 2.591) 16.765 18.115 ( -14.273 -7.849 -2.327) 16.454 18.219 ( -14.790 1.297 6.586) 16.242 18.383 ( -14.403 3.697 -8.425) 17.091 18.841 ( -15.387 -2.415 7.710) 17.379 18.976 ( -16.253 1.252 -4.710) 16.968 19.966 ( 19.086 -9.922 5.161) 22.122 20.097 ( 15.362 -7.852 -6.642) 18.487 20.405 ( 10.811 1.726 4.298) 11.761 20.477 ( 9.272 2.419 -2.365) 9.870 20.662 ( 5.819 -0.403 3.606) 6.858 20.729 ( 9.639 7.775 1.467) 12.471 20.808 ( 5.624 3.667 -2.267) 7.087 20.910 ( 9.470 1.103 -6.273) 11.413 21.245 ( 3.652 -1.137 4.660) 6.028 21.354 ( 0.982 -0.969 -4.255) 4.473 21.773 ( 1.190 -0.678 0.811) 1.592 21.794 ( 0.929 -1.510 -0.694) 1.904 ======================= Grid point 113 (40/60) ======================= q-point: ( 0.27 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( 30.367 -6.909 1.661) 31.187 2.134 ( 20.630 -2.323 -12.642) 24.307 2.420 ( 29.874 3.104 14.133) 33.194 2.706 ( 21.591 7.124 -11.161) 25.328 2.882 ( 9.980 -2.130 15.154) 18.269 3.193 ( 6.154 3.620 0.528) 7.159 3.210 ( 4.715 0.780 -6.406) 7.992 3.315 ( 0.781 2.621 -3.396) 4.360 3.540 ( 6.720 7.084 6.932) 11.975 3.575 ( -0.858 2.752 2.103) 3.569 3.839 ( 3.961 9.959 -3.127) 11.164 3.896 ( -2.522 -6.921 -2.755) 7.864 4.051 ( 13.252 7.981 11.776) 19.442 4.105 ( 8.919 -2.709 5.174) 10.660 4.276 ( -0.762 3.870 -5.275) 6.587 4.461 ( -0.672 -9.230 -10.552) 14.035 4.531 ( 3.797 8.392 3.170) 9.741 4.724 ( 3.238 5.772 -2.146) 6.958 4.888 ( 9.802 6.417 -3.261) 12.161 4.900 ( 1.393 5.927 -6.875) 9.183 5.005 ( 10.601 10.620 -3.844) 15.490 5.086 ( 5.520 10.322 -6.912) 13.594 5.239 ( 5.583 6.824 0.420) 8.827 5.266 ( 3.144 3.595 -0.558) 4.809 5.404 ( 12.130 -1.818 8.705) 15.041 5.555 ( 6.971 -4.001 -2.084) 8.303 6.035 ( -10.957 -6.586 6.563) 14.370 6.045 ( 1.239 0.913 14.572) 14.653 6.182 ( -1.149 -3.269 -4.627) 5.781 6.346 ( -0.302 -3.453 -5.680) 6.655 6.466 ( -4.319 -2.672 10.011) 11.226 6.649 ( -9.460 -1.536 5.094) 10.854 6.779 ( 0.516 0.738 6.662) 6.722 6.787 ( -4.376 -3.026 0.158) 5.323 6.830 ( -6.667 -0.541 -8.330) 10.683 6.941 ( -9.502 -3.660 -0.624) 10.201 7.000 ( -12.128 -6.309 0.055) 13.671 7.133 ( 0.014 1.304 -15.459) 15.514 7.174 ( -3.461 2.154 4.633) 6.171 7.344 ( -2.412 1.082 -8.099) 8.520 7.466 ( -2.208 -2.462 6.532) 7.322 7.579 ( 6.560 1.471 -2.105) 7.045 7.746 ( -9.799 0.121 5.204) 11.095 7.845 ( -0.476 2.660 -1.682) 3.183 7.885 ( -4.441 -4.062 -1.924) 6.318 7.995 ( -2.324 1.158 -8.091) 8.498 8.200 ( 0.655 4.153 3.471) 5.452 8.281 ( 5.357 3.706 -1.626) 6.714 8.491 ( 5.511 0.488 4.306) 7.011 8.602 ( -0.488 -3.874 -4.451) 5.921 8.648 ( -2.058 -1.494 9.712) 10.039 8.841 ( -1.298 0.950 -4.780) 5.043 8.906 ( 8.710 8.714 14.718) 19.194 9.054 ( -1.638 -0.847 1.666) 2.485 9.207 ( -2.134 5.592 -6.872) 9.113 9.319 ( 10.172 6.913 -14.268) 18.837 9.591 ( -0.370 0.522 12.266) 12.283 9.874 ( -3.295 2.630 -13.221) 13.878 10.506 ( -8.832 -1.047 8.193) 12.092 10.658 ( -7.591 -1.025 -5.568) 9.470 13.297 ( -0.951 1.553 18.264) 18.355 13.512 ( -3.483 4.347 18.889) 19.693 13.634 ( -0.847 1.411 -13.134) 13.237 13.893 ( -0.684 0.965 -8.982) 9.059 13.973 ( 5.221 3.202 -2.859) 6.759 14.032 ( 8.477 -4.524 -5.397) 11.021 14.164 ( 4.654 2.116 5.915) 7.818 14.359 ( 4.446 3.424 -10.176) 11.621 14.531 ( 2.810 0.064 -1.293) 3.094 14.638 ( 7.367 2.008 -7.175) 10.478 14.732 ( 1.110 2.803 11.535) 11.923 14.880 ( -0.049 2.676 4.922) 5.602 14.985 ( 1.843 4.830 0.181) 5.173 15.143 ( 1.581 3.448 -8.524) 9.330 15.273 ( -2.084 -1.111 1.596) 2.851 15.343 ( -5.055 -0.344 1.472) 5.277 15.448 ( -1.717 2.921 -0.133) 3.391 15.462 ( -6.817 2.848 -0.117) 7.389 15.856 ( 0.303 1.513 1.402) 2.085 15.912 ( 5.051 3.411 -4.249) 7.429 16.057 ( -9.804 -5.554 4.597) 12.170 16.111 ( -5.472 -3.756 0.530) 6.658 16.262 ( -2.438 -2.463 1.536) 3.791 16.315 ( -8.014 -3.123 -3.036) 9.121 16.742 ( -1.843 -1.186 4.034) 4.591 16.831 ( -4.190 -3.432 -2.364) 5.910 17.130 ( -3.020 7.327 2.608) 8.343 17.163 ( -0.855 6.693 -0.413) 6.760 17.257 ( -7.697 7.074 2.284) 10.701 17.366 ( -22.517 3.473 -7.440) 23.967 17.696 ( -21.656 -1.825 6.784) 22.767 17.814 ( -17.267 -5.458 -4.384) 18.632 17.929 ( -14.254 -0.051 4.730) 15.018 18.075 ( -16.239 5.339 -8.506) 19.093 18.496 ( -19.407 4.095 7.951) 21.369 18.629 ( -18.881 6.129 -4.401) 20.333 20.295 ( 14.901 -6.915 2.770) 16.659 20.373 ( 12.971 -6.951 -4.386) 15.356 20.591 ( 8.236 1.555 3.046) 8.918 20.646 ( 8.067 1.988 -2.093) 8.568 20.757 ( 3.868 -0.403 3.431) 5.186 20.857 ( 3.440 1.356 -5.832) 6.905 20.969 ( 10.228 0.365 6.347) 12.043 21.081 ( 7.321 -1.257 -1.569) 7.592 21.309 ( 2.848 -1.699 0.261) 3.326 21.367 ( 1.315 -0.738 -2.799) 3.180 21.774 ( -1.157 -1.166 1.057) 1.953 21.800 ( -0.384 -2.116 -0.962) 2.356 ======================= Grid point 114 (41/60) ======================= q-point: ( 0.36 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 23.696 -6.573 -1.679) 24.648 2.556 ( 23.822 -5.581 -6.010) 25.195 2.878 ( 15.690 2.614 7.046) 17.397 3.006 ( 10.644 5.216 -3.631) 12.397 3.188 ( 20.831 -7.131 12.463) 25.300 3.225 ( -2.695 2.421 3.961) 5.368 3.320 ( 0.760 2.541 -4.288) 5.042 3.384 ( 8.524 0.384 -2.263) 8.828 3.582 ( 2.440 0.487 1.959) 3.167 3.612 ( -0.808 -5.623 6.583) 8.695 3.660 ( -5.613 2.182 -5.474) 8.138 3.886 ( -3.337 -14.360 -15.071) 21.082 4.107 ( -11.318 8.927 12.723) 19.227 4.291 ( 4.976 4.011 -2.588) 6.895 4.403 ( 12.477 6.441 5.140) 14.952 4.493 ( 7.084 -4.125 -5.059) 9.633 4.687 ( 8.481 -0.373 -1.866) 8.692 4.730 ( 3.155 6.793 -4.325) 8.649 4.994 ( 7.837 4.887 2.522) 9.574 5.135 ( 14.043 3.893 -6.853) 16.103 5.192 ( 11.117 7.921 4.655) 14.423 5.303 ( 4.215 1.735 0.245) 4.565 5.330 ( 3.786 4.746 -1.216) 6.192 5.370 ( 10.911 7.651 -8.650) 15.888 5.595 ( 3.175 -7.816 4.356) 9.495 5.630 ( 2.860 -6.731 5.038) 8.880 5.799 ( -9.516 -5.058 3.077) 11.207 5.934 ( -9.634 -6.085 -0.788) 11.422 6.180 ( -0.651 -6.972 -2.745) 7.522 6.237 ( -7.056 -9.818 -8.428) 14.738 6.414 ( -6.873 0.349 6.504) 9.469 6.475 ( -7.120 -0.627 3.800) 8.095 6.702 ( -1.480 1.540 9.334) 9.575 6.742 ( -2.501 -1.827 -0.025) 3.098 6.786 ( -4.245 -1.384 3.123) 5.449 6.807 ( -2.741 2.739 -2.853) 4.812 6.831 ( -2.509 -0.881 2.398) 3.581 7.126 ( -2.377 2.604 -2.177) 4.144 7.148 ( 2.262 2.682 -4.098) 5.395 7.283 ( -7.088 -1.079 0.614) 7.196 7.361 ( -3.249 0.244 -3.908) 5.088 7.432 ( -13.889 4.920 3.487) 15.141 7.680 ( -5.440 1.512 -4.472) 7.203 7.729 ( -8.369 0.872 -5.864) 10.256 7.901 ( 6.090 3.036 5.943) 9.034 8.043 ( 6.102 3.331 -7.049) 9.901 8.217 ( 0.633 -1.137 5.350) 5.506 8.321 ( -1.635 0.083 -2.717) 3.173 8.531 ( -1.978 0.866 -0.546) 2.227 8.560 ( 0.870 1.905 -1.890) 2.821 8.707 ( 2.265 3.608 4.709) 6.350 8.761 ( -4.819 6.227 2.359) 8.220 9.052 ( 3.502 1.277 -0.638) 3.782 9.057 ( 4.820 1.190 -0.329) 4.975 9.277 ( 8.267 5.513 7.130) 12.230 9.430 ( 0.136 5.757 1.075) 5.858 9.668 ( 7.381 -0.022 -1.601) 7.553 9.827 ( 1.085 6.288 -11.508) 13.158 10.305 ( -11.971 0.924 9.475) 15.295 10.481 ( -10.698 0.748 -6.603) 12.594 13.299 ( 0.996 2.670 15.552) 15.811 13.446 ( -3.352 3.880 17.244) 17.990 13.638 ( 1.417 1.324 -14.702) 14.830 13.856 ( -3.165 0.717 -17.147) 17.451 14.094 ( 7.148 0.989 0.517) 7.235 14.156 ( 4.748 0.402 -5.267) 7.103 14.299 ( 8.800 -6.283 3.910) 11.498 14.427 ( 2.755 -0.618 -7.611) 8.118 14.659 ( 6.637 -1.515 4.957) 8.422 14.731 ( 1.738 5.271 5.813) 8.037 14.769 ( 2.496 1.570 1.188) 3.179 14.884 ( 2.844 4.545 -6.005) 8.050 15.007 ( 0.962 0.413 4.688) 4.803 15.136 ( -2.736 2.568 -1.925) 4.217 15.226 ( -2.537 0.084 2.762) 3.751 15.322 ( 3.409 -0.957 0.359) 3.559 15.339 ( -6.245 -2.584 3.143) 7.454 15.426 ( -1.171 -1.141 -4.118) 4.430 15.723 ( -12.074 -5.320 5.700) 14.372 15.878 ( -10.018 -5.629 -6.884) 13.396 16.015 ( 2.733 3.943 1.617) 5.063 16.066 ( 2.662 -0.212 -1.850) 3.248 16.168 ( -5.054 -1.079 -0.063) 5.168 16.194 ( -2.512 1.829 -2.453) 3.959 16.678 ( -8.956 -2.692 4.786) 10.505 16.767 ( -3.420 -4.309 -0.693) 5.545 16.963 ( -6.237 4.634 1.703) 7.954 17.047 ( -0.648 1.478 -3.440) 3.800 17.261 ( -6.538 5.890 5.598) 10.430 17.307 ( -2.736 5.525 3.313) 6.999 17.358 ( 4.205 9.140 -1.558) 10.181 17.459 ( -18.410 0.643 -8.027) 20.094 17.689 ( -10.334 -0.012 4.474) 11.261 17.808 ( -10.454 4.550 -6.365) 13.057 18.125 ( -18.512 8.273 8.691) 22.060 18.274 ( -17.557 9.043 -5.074) 20.391 20.536 ( 10.171 -5.358 1.583) 11.604 20.584 ( 8.869 -5.300 -2.840) 10.715 20.717 ( 4.529 -1.067 2.275) 5.179 20.771 ( 3.858 -1.440 -2.657) 4.900 20.824 ( 4.134 1.605 3.318) 5.539 20.910 ( 3.085 3.156 -3.982) 5.944 21.088 ( 0.655 -2.246 4.388) 4.972 21.181 ( 2.184 -2.508 -2.117) 3.942 21.350 ( 4.139 0.173 4.130) 5.849 21.460 ( 7.229 -3.104 -4.247) 8.941 21.728 ( -3.649 -1.625 1.983) 4.460 21.776 ( -2.186 -2.845 -1.990) 4.102 ======================= Grid point 115 (42/60) ======================= q-point: ( 0.45 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 16.263 -5.683 3.065) 17.498 2.974 ( 15.604 -3.427 -4.140) 16.503 3.106 ( 6.725 1.021 5.489) 8.740 3.139 ( -2.224 -1.573 -0.749) 2.826 3.169 ( 3.743 -3.597 -1.989) 5.559 3.273 ( 1.475 4.207 -8.283) 9.407 3.346 ( -13.693 -5.169 5.076) 15.491 3.451 ( -5.063 -6.985 -0.734) 8.658 3.525 ( 6.913 5.916 6.620) 11.253 3.609 ( 2.634 3.846 0.753) 4.722 3.762 ( -0.865 7.680 -2.516) 8.128 3.846 ( -5.103 2.961 -7.597) 9.619 4.037 ( 15.174 -6.741 14.532) 22.065 4.367 ( 7.045 -1.844 -13.272) 15.139 4.416 ( -13.850 -6.341 4.471) 15.875 4.525 ( -2.325 -0.676 -4.804) 5.379 4.908 ( 13.242 -6.784 2.355) 15.064 4.915 ( 13.319 -5.844 1.121) 14.588 5.154 ( 0.390 1.304 9.561) 9.657 5.204 ( -10.285 -5.052 1.409) 11.545 5.281 ( 3.151 0.619 -2.809) 4.266 5.381 ( 2.036 3.358 3.680) 5.382 5.411 ( 9.348 -0.044 -10.587) 14.123 5.496 ( 0.810 -3.060 -3.137) 4.456 5.625 ( 2.712 -0.625 4.050) 4.914 5.672 ( -4.573 1.733 1.205) 5.036 5.709 ( 2.563 0.510 -2.939) 3.933 5.772 ( -5.517 -1.712 -5.038) 7.665 6.166 ( 1.855 -7.000 -2.242) 7.581 6.204 ( 2.519 -3.593 -3.457) 5.586 6.264 ( -6.452 -3.340 1.080) 7.345 6.323 ( -8.018 -2.816 -2.619) 8.892 6.693 ( 0.312 -0.420 8.189) 8.206 6.724 ( 0.487 2.340 3.563) 4.291 6.736 ( -1.500 -0.457 11.947) 12.050 6.783 ( -2.245 2.228 0.601) 3.220 6.868 ( 7.478 4.028 2.239) 8.784 7.042 ( -6.306 -0.983 2.352) 6.802 7.087 ( -5.908 4.517 -1.079) 7.514 7.184 ( -10.463 5.310 -1.031) 11.779 7.285 ( 9.944 1.920 1.427) 10.228 7.403 ( 3.533 -1.957 -8.764) 9.650 7.524 ( -9.368 1.705 -4.948) 10.730 7.553 ( -7.822 -1.384 -6.425) 10.217 8.062 ( 8.848 4.546 3.645) 10.595 8.159 ( 5.039 4.711 -3.804) 7.878 8.204 ( -3.423 1.338 0.790) 3.759 8.250 ( -4.148 3.116 -1.352) 5.362 8.520 ( 2.133 2.590 4.345) 5.490 8.605 ( -0.983 4.409 0.602) 4.557 8.619 ( -2.121 4.194 2.669) 5.405 8.695 ( -4.588 4.532 -1.888) 6.719 9.172 ( 7.295 1.958 0.603) 7.577 9.210 ( 9.511 2.929 -1.742) 10.103 9.308 ( -3.747 2.574 2.507) 5.192 9.397 ( -5.534 4.219 -2.963) 7.563 9.805 ( 10.492 3.696 6.704) 12.988 9.991 ( 10.141 3.523 -6.093) 12.344 10.061 ( -10.786 3.797 7.101) 13.460 10.253 ( -12.784 2.517 -7.906) 15.240 13.332 ( 2.290 3.299 14.773) 15.309 13.384 ( -3.046 3.632 15.694) 16.394 13.688 ( 3.738 0.829 -16.945) 17.372 13.774 ( -4.833 0.367 -18.633) 19.253 14.247 ( 7.960 -0.764 -0.300) 8.002 14.270 ( 8.190 -1.175 -1.949) 8.500 14.386 ( -4.561 -3.852 1.567) 6.172 14.413 ( -3.872 -5.099 -0.640) 6.435 14.714 ( 4.804 -0.097 4.275) 6.431 14.783 ( 5.978 1.723 -2.033) 6.544 14.857 ( -2.915 -1.465 2.789) 4.292 14.887 ( -0.002 3.475 -0.353) 3.493 15.073 ( -1.531 0.259 5.807) 6.011 15.093 ( 3.113 -0.882 5.859) 6.693 15.214 ( -2.657 -1.453 0.253) 3.039 15.234 ( 2.998 2.277 0.789) 3.847 15.347 ( -0.251 -3.738 0.155) 3.749 15.472 ( -1.041 -3.796 -3.606) 5.338 15.499 ( -3.644 -2.065 -1.553) 4.467 15.663 ( -10.725 -4.067 -9.638) 14.982 16.078 ( 2.018 2.658 3.447) 4.798 16.095 ( 0.908 0.060 2.797) 2.942 16.115 ( -0.604 -0.589 1.891) 2.071 16.153 ( -2.624 0.507 -0.265) 2.685 16.644 ( 0.204 1.403 -0.638) 1.555 16.691 ( 9.426 3.458 -5.462) 11.430 16.813 ( -14.963 2.085 5.955) 16.239 16.940 ( -10.683 0.470 -4.243) 11.504 17.223 ( 2.944 0.633 0.663) 3.084 17.274 ( 5.764 2.230 -3.330) 7.021 17.339 ( -3.499 -0.317 1.979) 4.032 17.394 ( -3.689 3.702 -3.416) 6.244 17.595 ( 3.344 8.288 8.305) 12.200 17.728 ( -0.215 9.775 1.696) 9.923 17.822 ( -8.681 10.929 2.165) 14.124 17.967 ( -13.941 10.863 -6.225) 18.738 20.683 ( 5.182 -4.071 1.124) 6.685 20.714 ( 4.420 -3.913 -1.157) 6.016 20.750 ( -0.385 -2.801 0.173) 2.832 20.787 ( -1.594 -2.887 -2.487) 4.130 20.921 ( 5.530 1.798 4.256) 7.206 20.991 ( 2.342 -0.656 2.024) 3.164 21.056 ( -0.495 1.848 -1.511) 2.437 21.139 ( -4.951 -1.319 -5.052) 7.196 21.485 ( 7.956 -1.476 6.215) 10.203 21.587 ( 3.199 -4.262 0.077) 5.330 21.645 ( -2.748 -1.502 -0.217) 3.139 21.714 ( -4.313 -3.331 -3.449) 6.449 ======================= Grid point 121 (43/60) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 26.347 19.487) 32.771 1.809 ( 0.000 34.415 17.264) 38.503 2.011 ( 0.000 19.951 -24.301) 31.442 2.269 ( 0.000 26.934 -25.234) 36.908 2.655 ( 0.000 46.029 27.697) 53.720 3.076 ( 0.000 19.277 20.603) 28.215 3.275 ( 0.000 24.770 -20.142) 31.925 3.298 ( 0.000 13.813 20.263) 24.523 3.576 ( 0.000 21.627 -19.731) 29.275 3.598 ( 0.000 2.369 -6.547) 6.962 3.898 ( 0.000 -0.777 6.414) 6.461 3.975 ( 0.000 10.481 -4.189) 11.287 4.072 ( 0.000 5.129 -4.595) 6.886 4.082 ( 0.000 8.082 -8.011) 11.379 4.160 ( 0.000 -8.717 0.521) 8.733 4.396 ( 0.000 -17.441 -8.302) 19.316 4.419 ( 0.000 6.920 9.334) 11.619 4.627 ( 0.000 3.877 -9.680) 10.428 4.737 ( 0.000 9.180 -0.901) 9.224 4.822 ( 0.000 11.013 1.409) 11.103 4.848 ( 0.000 3.462 -9.412) 10.029 4.887 ( 0.000 10.619 -3.317) 11.125 5.245 ( 0.000 3.687 2.194) 4.291 5.301 ( 0.000 5.319 -3.461) 6.346 5.547 ( 0.000 11.866 28.848) 31.193 5.719 ( 0.000 7.918 17.320) 19.044 5.823 ( 0.000 12.204 18.616) 22.260 6.151 ( 0.000 9.863 -27.059) 28.800 6.389 ( 0.000 -0.235 3.202) 3.211 6.564 ( 0.000 1.652 3.663) 4.019 6.671 ( 0.000 1.468 -4.606) 4.835 6.725 ( 0.000 8.421 -10.295) 13.300 6.791 ( 0.000 -17.167 12.665) 21.333 6.870 ( 0.000 8.822 2.838) 9.267 6.933 ( 0.000 -3.156 2.866) 4.263 6.991 ( 0.000 -2.401 -0.280) 2.418 7.081 ( 0.000 5.820 -20.324) 21.141 7.116 ( 0.000 -9.313 -5.046) 10.592 7.161 ( 0.000 4.693 7.779) 9.085 7.187 ( 0.000 -3.412 5.660) 6.609 7.316 ( 0.000 -1.900 -8.114) 8.334 7.341 ( 0.000 3.371 -10.052) 10.603 7.509 ( 0.000 -8.252 3.843) 9.103 7.645 ( 0.000 -8.962 -2.912) 9.423 7.934 ( 0.000 -0.467 4.466) 4.491 8.039 ( 0.000 -8.022 14.050) 16.179 8.054 ( 0.000 -1.930 -4.708) 5.089 8.355 ( 0.000 -8.530 -14.041) 16.429 8.493 ( 0.000 -1.265 3.323) 3.556 8.527 ( 0.000 9.170 -0.860) 9.210 8.874 ( 0.000 -12.371 1.200) 12.429 8.922 ( 0.000 -10.003 -3.539) 10.610 8.936 ( 0.000 0.853 18.908) 18.927 9.089 ( 0.000 23.612 8.833) 25.210 9.285 ( 0.000 -7.633 -11.282) 13.621 9.409 ( 0.000 19.172 -20.216) 27.861 9.550 ( 0.000 -6.015 15.167) 16.316 9.844 ( 0.000 -5.891 -11.734) 13.130 10.633 ( 0.000 -7.021 5.191) 8.732 10.734 ( 0.000 -7.167 -3.831) 8.126 13.382 ( 0.000 -5.126 22.319) 22.900 13.484 ( 0.000 -3.189 9.654) 10.167 13.720 ( 0.000 -2.975 -9.945) 10.380 13.741 ( 0.000 -2.598 -5.285) 5.890 13.849 ( 0.000 11.118 6.947) 13.110 14.011 ( 0.000 1.292 6.886) 7.006 14.142 ( 0.000 10.446 -10.836) 15.051 14.286 ( 0.000 1.549 -17.376) 17.445 14.542 ( 0.000 15.693 3.489) 16.076 14.719 ( 0.000 15.831 -10.969) 19.260 14.793 ( 0.000 5.125 12.672) 13.669 15.050 ( 0.000 15.957 16.078) 22.652 15.061 ( 0.000 5.867 -10.960) 12.432 15.170 ( 0.000 -6.856 13.064) 14.754 15.421 ( 0.000 10.144 -10.695) 14.741 15.509 ( 0.000 -3.277 -10.336) 10.843 15.667 ( 0.000 9.496 12.269) 15.515 15.737 ( 0.000 4.630 2.328) 5.182 15.843 ( 0.000 0.989 10.823) 10.868 16.135 ( 0.000 -0.996 2.662) 2.842 16.155 ( 0.000 -1.072 1.256) 1.651 16.239 ( 0.000 -0.502 -17.853) 17.860 16.468 ( 0.000 2.011 2.101) 2.908 16.550 ( 0.000 7.474 -5.161) 9.083 17.246 ( 0.000 -6.954 7.521) 10.243 17.397 ( 0.000 -2.230 -6.127) 6.520 17.685 ( 0.000 -3.120 6.977) 7.643 17.877 ( 0.000 -2.602 -11.345) 11.640 17.962 ( 0.000 -9.241 7.898) 12.156 18.194 ( 0.000 -3.713 -9.627) 10.318 18.231 ( 0.000 -11.430 0.236) 11.432 18.284 ( 0.000 -16.078 -7.023) 17.545 18.423 ( 0.000 2.746 12.485) 12.783 18.627 ( 0.000 -11.178 2.494) 11.453 18.644 ( 0.000 5.845 -8.026) 9.928 18.717 ( 0.000 -18.540 -5.248) 19.269 19.477 ( 0.000 2.651 16.170) 16.386 19.775 ( 0.000 5.442 -12.746) 13.859 20.329 ( 0.000 9.993 9.354) 13.688 20.377 ( 0.000 -8.274 7.162) 10.943 20.501 ( 0.000 12.502 -6.960) 14.309 20.572 ( 0.000 -6.422 -10.883) 12.637 20.929 ( 0.000 17.848 6.006) 18.831 21.054 ( 0.000 16.271 -5.333) 17.122 21.071 ( 0.000 -3.580 10.494) 11.088 21.264 ( 0.000 -2.638 -7.498) 7.949 21.675 ( 0.000 -2.002 2.928) 3.547 21.728 ( 0.000 -1.733 -1.879) 2.556 ======================= Grid point 122 (44/60) ======================= q-point: ( 0.09 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.827 26.767 13.838) 30.265 1.709 ( -0.701 28.699 14.748) 32.274 2.083 ( 4.368 24.601 -15.742) 29.531 2.272 ( 4.843 23.180 -23.575) 33.415 2.802 ( 8.714 27.556 22.194) 36.439 3.157 ( 7.110 18.676 19.407) 27.856 3.282 ( 0.418 20.068 -13.824) 24.373 3.327 ( 4.184 16.345 10.941) 20.109 3.520 ( -2.539 7.752 -4.663) 9.396 3.672 ( 4.310 11.000 -8.257) 14.414 3.906 ( 0.277 -2.780 3.318) 4.337 3.975 ( -1.203 7.759 -0.118) 7.853 4.022 ( -4.226 12.915 -2.393) 13.798 4.090 ( 0.258 5.069 -11.822) 12.866 4.168 ( 2.332 -1.355 -2.575) 3.730 4.324 ( -1.941 -9.030 -5.054) 10.528 4.462 ( -0.499 1.608 -1.432) 2.210 4.552 ( 0.805 -4.600 -8.178) 9.417 4.816 ( 6.812 11.479 3.153) 13.715 4.931 ( 4.451 10.847 -0.304) 11.729 4.939 ( 8.586 10.056 -0.351) 13.227 5.019 ( 13.663 7.473 -7.245) 17.176 5.204 ( -3.763 4.611 3.890) 7.110 5.271 ( -2.729 2.687 -2.831) 4.762 5.457 ( -5.383 11.943 19.235) 23.272 5.714 ( -5.918 8.771 6.358) 12.344 5.878 ( 7.863 10.006 18.018) 22.059 6.190 ( 3.141 8.565 -14.524) 17.152 6.293 ( -7.016 -0.561 2.170) 7.365 6.493 ( -10.193 -6.231 3.259) 12.383 6.584 ( -1.697 3.988 -0.536) 4.367 6.750 ( 3.022 -1.821 -2.465) 4.304 6.820 ( -4.909 -3.896 5.228) 8.161 6.855 ( 1.245 2.826 2.316) 3.860 6.984 ( 2.792 -4.564 -5.891) 7.959 7.042 ( -6.387 -8.323 -10.168) 14.610 7.081 ( -0.958 0.937 2.580) 2.908 7.160 ( 7.006 3.427 -4.154) 8.837 7.253 ( 13.568 -2.799 -1.932) 13.987 7.271 ( 2.507 0.572 9.337) 9.684 7.302 ( 6.657 -0.743 -6.261) 9.169 7.436 ( 4.793 -0.457 -5.162) 7.059 7.461 ( -7.140 -5.771 1.649) 9.328 7.541 ( -1.384 -8.578 -5.202) 10.127 7.993 ( -0.430 -5.916 3.399) 6.836 8.011 ( 2.527 -0.870 1.821) 3.234 8.127 ( 4.969 -2.686 5.883) 8.156 8.349 ( -1.152 -6.718 -10.473) 12.496 8.472 ( -1.423 -0.429 2.115) 2.584 8.524 ( 0.011 8.081 -2.455) 8.445 8.801 ( -7.418 -4.792 6.830) 11.164 8.845 ( -2.460 -6.271 -0.383) 6.747 9.001 ( 2.378 -2.564 8.006) 8.737 9.102 ( 0.722 18.665 6.435) 19.756 9.277 ( -0.525 -5.975 -8.860) 10.699 9.383 ( -1.563 15.524 -15.435) 21.947 9.565 ( 1.362 -3.555 14.808) 15.290 9.880 ( 2.795 -3.760 -13.737) 14.513 10.618 ( -1.620 -6.663 5.659) 8.891 10.727 ( -0.889 -6.853 -4.070) 8.020 13.366 ( -1.241 -2.636 21.299) 21.497 13.529 ( 4.182 -2.829 8.116) 9.559 13.734 ( 0.135 -3.662 -6.796) 7.721 13.750 ( 1.375 -1.467 -3.033) 3.639 13.834 ( -0.478 10.180 4.163) 11.008 14.040 ( 2.623 1.306 3.106) 4.270 14.147 ( 0.680 9.712 -9.251) 13.430 14.271 ( -1.353 -0.331 -17.148) 17.205 14.559 ( 1.155 13.958 3.027) 14.329 14.689 ( -1.898 15.476 -6.025) 16.715 14.798 ( 0.669 5.592 13.185) 14.337 15.044 ( -1.619 11.443 7.277) 13.657 15.069 ( 1.121 8.346 -5.673) 10.154 15.212 ( 3.337 -6.163 11.228) 13.235 15.387 ( -3.488 8.593 -7.072) 11.663 15.526 ( 1.010 0.115 -8.859) 8.917 15.606 ( -5.576 9.178 11.740) 15.911 15.744 ( 0.846 4.395 -0.377) 4.491 15.837 ( 1.158 0.398 2.030) 2.371 16.012 ( -12.909 -1.052 -11.985) 17.647 16.144 ( -1.550 -3.952 1.870) 4.638 16.171 ( 1.069 0.621 0.253) 1.262 16.579 ( 7.716 5.871 5.662) 11.228 16.736 ( 8.701 9.779 -7.544) 15.108 16.836 ( -26.791 -3.241 10.788) 29.063 17.073 ( -23.680 -0.483 -10.802) 26.032 17.487 ( -15.679 -0.141 8.828) 17.994 17.680 ( -16.804 -2.304 -9.509) 19.445 18.011 ( -7.313 -7.294 6.013) 11.952 18.100 ( -14.710 -9.003 2.769) 17.467 18.160 ( -6.925 -6.285 -3.022) 9.829 18.197 ( -10.254 -8.415 -2.512) 13.501 18.427 ( -2.570 2.050 0.482) 3.323 18.493 ( 1.504 -7.675 -3.359) 8.512 18.794 ( 4.398 -5.921 3.778) 8.287 18.925 ( 11.841 -12.291 -9.108) 19.345 19.536 ( 7.980 0.682 15.000) 17.005 19.808 ( 4.559 3.330 -10.978) 12.345 20.330 ( 2.339 4.053 6.895) 8.334 20.388 ( 1.838 0.275 3.437) 3.907 20.562 ( 4.867 5.060 -3.371) 7.788 20.627 ( 4.982 -5.634 -9.326) 11.981 20.923 ( 0.562 14.093 4.454) 14.791 21.019 ( -1.469 13.265 -3.953) 13.920 21.138 ( 5.016 -0.995 9.138) 10.472 21.297 ( 2.130 -1.644 -5.403) 6.036 21.710 ( 2.755 -1.995 1.140) 3.587 21.738 ( 0.893 -2.005 -1.259) 2.530 ======================= Grid point 123 (45/60) ======================= q-point: ( 0.18 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 6.730 21.727 13.068) 26.232 1.880 ( 11.943 12.335 -2.755) 17.389 2.224 ( 12.942 22.708 -0.798) 26.149 2.501 ( 17.251 15.746 -19.356) 30.335 2.884 ( 1.433 12.238 18.573) 22.288 3.242 ( -2.280 8.892 -8.119) 12.255 3.283 ( 4.666 11.668 4.927) 13.497 3.382 ( -1.267 3.690 -0.260) 3.910 3.593 ( 5.730 11.574 5.661) 14.101 3.709 ( -1.130 5.970 -1.275) 6.208 3.884 ( -0.796 -5.097 7.334) 8.966 3.942 ( -0.797 7.301 4.488) 8.607 3.966 ( -1.655 3.914 -3.707) 5.639 4.086 ( 1.069 5.619 -7.785) 9.660 4.238 ( 1.887 4.548 -5.211) 7.169 4.340 ( 8.097 -0.441 -6.316) 10.278 4.573 ( 7.250 -5.036 -0.322) 8.833 4.631 ( 9.604 10.170 -8.989) 16.627 4.956 ( 3.334 11.820 5.339) 13.392 5.024 ( 6.664 8.163 8.032) 13.250 5.085 ( 2.753 11.536 -3.314) 12.314 5.142 ( 0.574 3.769 1.904) 4.262 5.229 ( 6.453 1.344 1.078) 6.679 5.302 ( 8.779 7.144 -7.850) 13.774 5.389 ( -1.293 11.710 6.311) 13.365 5.564 ( -7.540 6.792 -3.661) 10.788 6.023 ( 5.239 5.166 9.380) 11.921 6.134 ( -9.486 -4.977 8.557) 13.710 6.195 ( -7.516 -4.555 -6.586) 10.983 6.322 ( -4.449 -3.797 -2.525) 6.371 6.528 ( -3.429 1.881 7.372) 8.346 6.692 ( -5.147 -4.384 3.745) 7.729 6.784 ( -2.730 -4.114 -2.386) 5.484 6.848 ( -2.023 1.056 2.958) 3.736 6.943 ( -2.896 2.066 -12.226) 12.733 6.972 ( -3.251 -3.023 -5.035) 6.712 7.080 ( -3.508 -3.721 4.918) 7.095 7.189 ( -4.540 -0.772 0.224) 4.610 7.212 ( -3.579 -1.559 1.820) 4.308 7.333 ( -1.035 -2.642 -1.839) 3.381 7.401 ( 6.573 0.389 2.796) 7.154 7.509 ( 7.336 -0.642 -1.616) 7.539 7.583 ( 8.055 -0.973 -3.910) 9.007 7.678 ( 9.800 -10.202 -7.293) 15.916 7.958 ( -2.869 -2.792 4.447) 5.983 8.045 ( 0.299 -1.462 -1.380) 2.033 8.217 ( 4.119 -1.409 6.106) 7.499 8.317 ( -0.971 0.255 -2.565) 2.754 8.468 ( 1.212 0.968 1.214) 1.969 8.548 ( 2.457 5.080 -3.720) 6.759 8.672 ( -4.657 -2.273 5.339) 7.441 8.806 ( -1.026 -1.144 -5.277) 5.496 9.030 ( 0.466 -0.708 7.392) 7.441 9.108 ( 0.186 12.725 3.617) 13.230 9.280 ( 1.119 -0.367 -4.269) 4.429 9.384 ( 2.203 11.086 -10.431) 15.380 9.593 ( 1.366 0.281 14.674) 14.740 9.923 ( 1.399 -0.315 -15.270) 15.337 10.567 ( -3.789 -5.387 6.846) 9.500 10.695 ( -2.631 -5.599 -4.704) 7.771 13.346 ( -0.637 1.162 18.690) 18.737 13.606 ( 2.380 -0.290 2.976) 3.822 13.731 ( -2.804 4.478 4.185) 6.740 13.758 ( 3.320 -5.633 -1.695) 6.755 13.882 ( 4.651 4.970 -4.160) 7.977 14.092 ( 2.281 4.558 -4.458) 6.771 14.166 ( 1.050 5.590 -5.637) 8.008 14.264 ( 2.041 -4.212 -12.217) 13.083 14.549 ( -2.235 9.298 5.218) 10.894 14.689 ( 1.641 11.987 -4.979) 13.083 14.822 ( 1.836 7.381 13.477) 15.475 14.984 ( -3.983 6.414 4.332) 8.704 15.096 ( 1.196 8.388 -8.474) 11.983 15.238 ( -2.116 -1.410 -3.532) 4.352 15.328 ( -1.139 3.655 6.891) 7.883 15.466 ( -5.944 4.546 5.040) 9.022 15.555 ( -0.756 4.957 -3.495) 6.112 15.677 ( -9.024 0.774 -8.695) 12.555 15.879 ( 2.159 2.185 0.060) 3.072 15.894 ( 2.015 0.868 -2.101) 3.038 16.109 ( -2.862 -3.001 4.283) 5.962 16.185 ( -4.248 1.059 -1.397) 4.595 16.303 ( -14.531 1.000 11.593) 18.616 16.556 ( -17.585 3.903 -10.089) 20.646 16.784 ( 0.990 0.361 4.311) 4.438 16.894 ( -3.645 0.626 -4.009) 5.455 17.276 ( -1.256 7.377 3.315) 8.185 17.367 ( -11.902 1.589 -5.049) 13.026 17.653 ( -21.949 -2.978 7.649) 23.433 17.791 ( -20.543 -7.150 -4.235) 22.160 17.932 ( -13.839 -5.388 0.899) 14.878 17.989 ( -11.332 -3.170 -4.139) 12.474 18.278 ( -12.405 4.545 7.317) 15.102 18.435 ( -9.233 1.470 -7.494) 11.982 18.776 ( -6.598 -3.864 8.649) 11.544 18.958 ( -7.613 -3.468 -8.093) 11.640 19.820 ( 19.138 -4.220 7.592) 21.017 19.982 ( 12.799 -3.094 -6.961) 14.895 20.438 ( 8.049 0.517 4.642) 9.306 20.470 ( 6.438 -1.230 2.414) 6.985 20.656 ( 4.594 0.190 -0.943) 4.693 20.739 ( 6.294 -4.720 -8.414) 11.519 20.961 ( 3.076 9.747 2.951) 10.638 21.032 ( 2.620 9.354 -3.243) 10.242 21.226 ( 3.851 -0.787 6.638) 7.714 21.326 ( 0.928 -1.359 -2.598) 3.075 21.748 ( 0.766 -1.986 -0.287) 2.148 21.752 ( 0.377 -2.768 -0.522) 2.842 ======================= Grid point 124 (46/60) ======================= q-point: ( 0.27 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 20.147 3.181 8.753) 22.196 2.140 ( 15.504 4.037 -11.519) 19.732 2.568 ( 21.202 11.543 12.132) 27.018 2.872 ( 16.561 10.276 -7.175) 20.769 2.933 ( 8.172 7.119 6.726) 12.756 3.188 ( -1.651 2.494 -10.287) 10.713 3.325 ( -2.663 0.243 3.955) 4.774 3.402 ( 4.297 8.171 -1.173) 9.307 3.590 ( -3.735 -2.223 4.310) 6.121 3.655 ( -2.437 4.404 0.702) 5.082 3.803 ( -6.258 -4.547 -3.612) 8.537 3.871 ( -6.597 1.581 -8.111) 10.574 4.031 ( 7.399 -1.110 4.948) 8.970 4.159 ( 5.036 -5.373 -7.515) 10.521 4.364 ( 4.513 8.616 7.366) 12.200 4.495 ( 6.407 3.446 -2.720) 7.767 4.696 ( 7.835 9.197 7.729) 14.343 4.827 ( 7.170 7.859 -3.306) 11.140 4.971 ( -1.401 -2.856 4.127) 5.210 5.036 ( 1.877 7.249 0.745) 7.525 5.207 ( 4.963 4.855 1.976) 7.219 5.254 ( 11.983 9.595 -3.634) 15.775 5.293 ( -3.108 0.044 6.863) 7.535 5.433 ( 7.267 4.768 -0.654) 8.716 5.437 ( 5.447 11.786 -6.678) 14.601 5.519 ( 0.624 0.412 -4.802) 4.860 5.891 ( -10.533 -4.626 1.444) 11.594 5.989 ( -10.905 -6.876 -5.197) 13.900 6.093 ( -0.953 -2.212 0.960) 2.593 6.198 ( -8.210 -9.281 -7.451) 14.458 6.511 ( -0.992 2.338 14.265) 14.490 6.583 ( -6.539 -2.615 3.923) 8.061 6.713 ( -3.156 -4.001 0.109) 5.097 6.823 ( -0.685 3.531 6.464) 7.397 6.832 ( -8.081 -2.185 -3.729) 9.164 6.905 ( -6.050 -0.958 0.858) 6.185 6.926 ( -3.969 2.953 0.612) 4.984 7.151 ( -1.404 0.350 -7.910) 8.041 7.197 ( -0.477 -2.035 7.179) 7.477 7.335 ( 1.316 -0.349 -3.853) 4.087 7.431 ( -4.768 -0.990 -0.370) 4.884 7.616 ( 2.937 -0.125 -9.745) 10.179 7.706 ( 3.170 -1.927 1.380) 3.958 7.771 ( -0.532 -5.875 -3.539) 6.879 7.897 ( 0.037 2.397 4.036) 4.695 8.038 ( -0.447 1.400 -6.956) 7.109 8.267 ( 0.084 1.337 6.201) 6.344 8.335 ( 2.681 3.143 0.558) 4.169 8.533 ( 5.592 0.884 8.181) 9.948 8.558 ( -0.766 0.976 3.180) 3.413 8.688 ( 4.485 6.482 -4.595) 9.124 8.837 ( 4.737 -0.524 -9.799) 10.896 9.011 ( -1.877 0.450 6.971) 7.233 9.109 ( -0.414 5.951 2.555) 6.489 9.325 ( 3.703 7.582 0.731) 8.470 9.478 ( 6.924 7.521 -9.123) 13.701 9.619 ( 1.666 3.559 14.103) 14.640 9.934 ( 0.108 3.345 -14.781) 15.155 10.470 ( -6.414 -2.935 8.237) 10.844 10.620 ( -5.209 -3.134 -5.565) 8.242 13.346 ( 0.640 3.497 15.380) 15.786 13.604 ( -2.075 3.808 7.136) 8.350 13.680 ( -1.823 3.860 -5.424) 6.903 13.843 ( 3.691 -5.525 -3.193) 7.372 13.981 ( 5.788 2.143 -1.808) 6.431 14.116 ( 0.927 7.913 -11.752) 14.198 14.202 ( 2.199 0.411 4.637) 5.148 14.346 ( 5.343 -4.176 -8.055) 10.529 14.521 ( 0.692 2.017 4.066) 4.592 14.717 ( 1.039 5.480 -10.089) 11.528 14.864 ( 1.999 8.861 11.924) 14.990 14.917 ( -2.264 0.445 5.511) 5.975 15.076 ( -3.512 4.248 -5.476) 7.770 15.214 ( 0.817 3.479 -11.482) 12.026 15.284 ( -4.296 -2.812 10.320) 11.527 15.378 ( -2.721 7.111 4.928) 9.070 15.482 ( -9.094 -0.411 -2.056) 9.332 15.524 ( -4.586 4.366 -2.479) 6.800 15.804 ( -11.436 -5.650 6.855) 14.481 15.932 ( -2.674 -0.939 -3.147) 4.235 16.022 ( 0.129 -0.420 2.274) 2.316 16.052 ( -2.281 1.296 0.889) 2.770 16.238 ( -4.951 0.761 -1.809) 5.326 16.320 ( -4.091 2.615 -7.769) 9.162 16.719 ( -4.951 -2.085 5.253) 7.513 16.780 ( -4.887 0.181 -0.470) 4.913 17.228 ( -12.410 1.832 1.941) 12.694 17.252 ( -7.128 1.520 0.158) 7.290 17.422 ( -6.352 4.467 -2.444) 8.141 17.434 ( 0.624 7.001 -2.901) 7.603 17.649 ( -15.284 -1.311 4.769) 16.064 17.751 ( -12.690 -0.060 -4.781) 13.561 18.004 ( -14.490 6.942 8.500) 18.177 18.191 ( -14.419 6.522 -9.040) 18.226 18.569 ( -13.744 2.808 8.880) 16.603 18.730 ( -14.333 3.433 -5.947) 15.893 20.173 ( 16.386 -5.190 2.469) 17.364 20.243 ( 13.164 -6.067 -3.851) 14.998 20.581 ( 5.756 -2.132 3.568) 7.100 20.619 ( 8.174 -3.571 1.878) 9.116 20.736 ( 3.898 -1.972 1.595) 4.650 20.859 ( 5.957 -2.110 -7.136) 9.533 21.026 ( 3.308 4.335 2.364) 5.943 21.098 ( 3.531 4.275 -3.641) 6.633 21.290 ( 3.174 -0.776 3.980) 5.149 21.340 ( 0.946 -1.061 -0.452) 1.492 21.738 ( -1.766 -2.561 -0.250) 3.121 21.743 ( -1.317 -3.618 -0.569) 3.892 ======================= Grid point 125 (47/60) ======================= q-point: ( 0.36 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.343 ( 23.999 -8.110 2.344) 25.441 2.466 ( 17.823 -2.670 -8.750) 20.034 2.993 ( 20.349 2.797 15.232) 25.572 3.008 ( 7.797 0.531 10.544) 13.124 3.155 ( 1.188 3.398 -2.215) 4.226 3.220 ( -2.579 -0.921 4.566) 5.325 3.329 ( 9.096 -3.194 -8.470) 12.832 3.424 ( 2.204 0.668 -6.892) 7.267 3.538 ( -2.816 3.688 0.359) 4.654 3.648 ( -8.218 -6.042 -8.798) 13.470 3.656 ( 2.646 3.153 1.757) 4.475 3.793 ( 1.303 8.236 -9.489) 12.631 4.213 ( 4.024 -2.583 3.986) 6.225 4.266 ( -3.292 -1.592 13.759) 14.237 4.287 ( 5.405 -7.811 -4.061) 10.331 4.543 ( -1.349 0.680 -11.889) 11.984 4.714 ( -10.303 -2.284 7.465) 12.927 4.868 ( -3.080 4.024 -7.332) 8.913 5.036 ( 11.010 -5.306 11.799) 16.988 5.126 ( 2.127 -3.747 0.680) 4.362 5.259 ( 2.366 0.710 8.103) 8.471 5.334 ( 4.778 -0.413 3.634) 6.017 5.399 ( -1.804 3.536 2.446) 4.662 5.433 ( -4.501 1.066 -1.570) 4.885 5.506 ( 7.674 -5.922 -2.711) 10.065 5.644 ( 10.545 10.928 -13.790) 20.513 5.783 ( -3.924 0.465 -2.543) 4.699 5.844 ( -1.048 4.637 -6.084) 7.721 6.039 ( -3.148 -5.409 -1.705) 6.486 6.099 ( -1.675 -3.616 -6.264) 7.424 6.390 ( -9.256 -2.239 4.718) 10.628 6.441 ( -9.356 -2.569 0.952) 9.749 6.680 ( -1.806 -4.348 7.913) 9.208 6.743 ( 0.562 3.237 14.362) 14.733 6.796 ( -2.639 1.841 2.038) 3.808 6.827 ( -1.211 1.034 3.774) 4.096 6.895 ( 0.201 4.887 -3.335) 5.920 7.097 ( -4.753 -3.974 2.946) 6.860 7.207 ( 3.003 1.768 -1.067) 3.644 7.295 ( -7.713 1.505 -1.391) 7.981 7.358 ( 0.517 0.263 -9.858) 9.875 7.522 ( -9.595 2.615 -2.649) 10.291 7.645 ( -7.085 -2.889 -3.960) 8.615 7.737 ( -5.932 -1.033 -4.500) 7.517 7.980 ( 7.943 4.783 3.402) 9.876 8.117 ( 8.140 3.557 -8.473) 12.276 8.271 ( 0.916 6.327 6.599) 9.188 8.364 ( 0.472 4.812 -1.212) 4.985 8.545 ( 0.164 1.922 5.924) 6.230 8.639 ( 3.566 3.761 1.587) 5.420 8.775 ( 2.652 3.909 0.722) 4.779 8.859 ( -4.128 3.224 2.478) 5.794 9.077 ( 9.773 1.558 -4.713) 10.961 9.111 ( 2.337 3.925 -0.855) 4.647 9.395 ( 1.951 6.127 5.370) 8.377 9.561 ( -0.079 6.561 -6.683) 9.365 9.710 ( 8.468 4.803 9.811) 13.822 9.960 ( 3.905 7.221 -11.556) 14.175 10.322 ( -8.842 0.599 9.030) 12.652 10.493 ( -8.004 0.184 -6.503) 10.314 13.372 ( 2.026 4.840 12.924) 13.949 13.547 ( -3.374 6.197 12.569) 14.414 13.670 ( 0.731 2.017 -11.893) 12.085 13.857 ( -2.100 -0.848 -12.037) 12.248 14.114 ( 7.035 -1.270 0.690) 7.182 14.138 ( 2.207 -0.061 -0.553) 2.276 14.252 ( 3.177 1.515 1.652) 3.888 14.406 ( -0.288 -2.778 -11.168) 11.512 14.595 ( 6.255 -3.311 4.064) 8.161 14.731 ( -0.469 -2.790 -6.928) 7.483 14.880 ( 1.105 6.181 5.435) 8.304 14.932 ( 2.665 -1.138 2.631) 3.914 14.994 ( -3.049 0.249 5.171) 6.008 15.180 ( -5.721 0.167 7.212) 9.207 15.241 ( 0.359 -0.733 -2.593) 2.719 15.305 ( -8.113 0.289 -1.310) 8.223 15.343 ( -2.320 2.240 2.134) 3.867 15.421 ( -3.877 1.744 -5.601) 7.031 15.606 ( -8.915 -4.369 4.217) 10.786 15.765 ( -10.014 -3.956 -7.814) 13.304 16.059 ( 1.370 -1.072 2.246) 2.841 16.076 ( 1.925 0.962 1.294) 2.511 16.156 ( -2.866 1.262 3.162) 4.450 16.246 ( -4.868 1.131 -2.718) 5.689 16.668 ( 0.639 2.079 0.957) 2.377 16.732 ( -1.443 2.030 -3.352) 4.176 17.028 ( -8.095 1.986 1.192) 8.420 17.065 ( -5.831 0.127 -1.257) 5.966 17.365 ( -8.873 3.583 3.753) 10.279 17.424 ( -0.414 7.424 5.599) 9.308 17.461 ( -7.839 3.513 -4.261) 9.589 17.591 ( -1.081 10.655 -8.387) 13.604 17.783 ( -6.455 8.980 8.494) 13.945 17.953 ( -7.699 9.583 -7.075) 14.183 18.286 ( -14.936 7.576 8.969) 18.998 18.446 ( -14.671 7.701 -5.657) 17.508 20.435 ( 10.788 -4.959 0.641) 11.890 20.466 ( 9.870 -6.494 -2.187) 12.015 20.657 ( 2.243 -4.628 2.338) 5.649 20.724 ( 2.086 -3.242 -3.197) 5.008 20.827 ( 5.775 -2.071 6.796) 9.155 20.956 ( 3.806 1.496 -2.916) 5.023 21.073 ( 1.199 -0.561 0.015) 1.324 21.140 ( 0.449 0.429 -3.935) 3.983 21.356 ( 3.883 0.299 3.057) 4.951 21.392 ( 4.883 -3.271 0.382) 5.890 21.682 ( -3.989 -3.099 0.285) 5.059 21.702 ( -3.008 -4.587 -1.331) 5.645 ======================= Grid point 126 (48/60) ======================= q-point: ( 0.45 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 16.474 -8.367 0.741) 18.492 2.822 ( 18.859 -9.767 -6.384) 22.177 3.002 ( -9.346 -8.392 4.439) 13.322 3.117 ( -9.551 -8.367 -3.918) 13.289 3.182 ( 6.604 4.662 6.171) 10.170 3.332 ( 4.417 5.246 -2.931) 7.459 3.336 ( -3.898 -0.039 4.349) 5.841 3.409 ( -1.063 3.454 -5.320) 6.432 3.553 ( 5.318 -4.225 2.967) 7.412 3.668 ( 6.527 4.716 7.180) 10.789 3.756 ( 7.435 -6.995 -5.636) 11.661 3.907 ( 1.898 3.260 -9.001) 9.759 4.033 ( -3.357 2.101 14.133) 14.678 4.247 ( -10.915 -8.409 8.203) 16.035 4.345 ( -4.157 -0.753 -5.589) 7.006 4.443 ( -1.954 -6.529 -1.809) 7.051 4.727 ( 11.783 -9.718 -2.085) 15.415 4.815 ( 4.138 -5.704 -7.954) 10.627 5.008 ( -11.526 -11.824 -0.477) 16.519 5.079 ( -15.486 -9.065 -4.857) 18.590 5.269 ( 10.179 -6.230 6.653) 13.663 5.390 ( 0.939 -3.475 0.601) 3.649 5.423 ( 1.744 1.936 -0.297) 2.622 5.460 ( 2.247 2.225 1.090) 3.345 5.667 ( 6.361 2.490 1.452) 6.984 5.718 ( -1.016 2.893 1.278) 3.322 5.804 ( 3.678 9.649 -6.795) 12.361 5.843 ( -0.892 8.036 -5.718) 9.903 6.050 ( 4.819 -3.350 0.211) 5.873 6.115 ( 3.622 -3.746 -4.383) 6.809 6.207 ( -9.079 -2.064 1.215) 9.389 6.255 ( -9.065 -3.260 -2.194) 9.880 6.668 ( 1.324 -2.094 11.166) 11.438 6.724 ( -3.562 -0.247 16.968) 17.339 6.788 ( 2.227 2.741 0.949) 3.657 6.840 ( -0.253 3.401 1.851) 3.880 6.925 ( 3.623 2.227 2.886) 5.139 7.014 ( -3.612 -1.077 9.019) 9.775 7.189 ( -0.756 4.294 -5.799) 7.256 7.290 ( -8.258 4.553 -5.572) 10.953 7.316 ( 6.471 0.711 -2.415) 6.944 7.400 ( -0.474 2.348 -3.813) 4.503 7.515 ( -4.919 -1.392 -10.572) 11.743 7.572 ( -8.826 2.418 -8.270) 12.334 8.147 ( 8.114 4.045 3.775) 9.821 8.258 ( -1.070 5.764 2.737) 6.470 8.277 ( 4.821 4.961 -4.621) 8.319 8.357 ( -1.769 7.349 -2.118) 7.850 8.582 ( 4.173 3.933 7.710) 9.609 8.694 ( -2.417 4.172 0.774) 4.883 8.707 ( -0.954 4.380 4.702) 6.496 8.788 ( -4.329 4.605 -0.298) 6.328 9.224 ( 7.622 3.263 0.473) 8.305 9.279 ( 8.647 3.965 -2.483) 9.831 9.374 ( -2.296 3.826 -0.324) 4.473 9.486 ( -7.235 4.647 -7.258) 11.253 9.902 ( 10.935 5.991 10.223) 16.123 10.073 ( 0.962 4.537 2.980) 5.513 10.161 ( -1.834 6.221 -1.225) 6.600 10.317 ( -10.003 3.809 -7.647) 13.155 13.421 ( 2.989 5.849 12.213) 13.867 13.482 ( -3.327 6.395 12.730) 14.629 13.708 ( 3.212 1.289 -12.588) 13.055 13.786 ( -4.479 0.927 -13.344) 14.107 14.201 ( 5.068 -3.571 0.882) 6.262 14.239 ( 4.077 -5.009 -1.037) 6.541 14.293 ( 0.198 -1.900 -1.473) 2.413 14.349 ( -4.722 -2.696 -5.872) 8.003 14.694 ( 2.442 -2.539 2.127) 4.115 14.759 ( 8.180 -3.823 -2.417) 9.348 14.833 ( -8.276 -1.117 4.341) 9.412 14.924 ( -2.337 0.073 -1.812) 2.959 15.056 ( 2.087 -0.484 10.326) 10.546 15.092 ( -1.925 -1.470 11.609) 11.859 15.183 ( 1.667 -3.313 -0.816) 3.797 15.270 ( 3.171 0.845 -1.261) 3.516 15.307 ( -2.299 1.064 -3.210) 4.089 15.380 ( -6.209 -5.214 2.893) 8.608 15.473 ( 0.221 1.386 -8.350) 8.467 15.587 ( -8.623 -2.323 -9.945) 13.366 16.065 ( 0.304 -1.881 4.971) 5.323 16.084 ( -1.243 -1.931 5.171) 5.658 16.135 ( 0.806 0.920 -0.681) 1.400 16.169 ( -2.692 0.089 -1.486) 3.077 16.711 ( 4.140 5.772 1.655) 7.294 16.788 ( 7.182 6.339 -4.151) 10.440 16.871 ( -9.296 4.077 3.888) 10.870 16.959 ( -6.491 1.707 -2.606) 7.200 17.287 ( 0.315 5.434 1.881) 5.759 17.361 ( -5.221 4.103 4.069) 7.787 17.379 ( 2.586 7.166 -6.227) 9.839 17.502 ( -7.722 7.648 -9.037) 14.134 17.803 ( 7.156 11.587 10.369) 17.116 17.950 ( 1.458 11.890 2.402) 12.218 18.035 ( -6.592 10.449 2.065) 12.526 18.182 ( -12.350 10.448 -6.150) 17.306 20.588 ( 5.271 -5.692 1.294) 7.865 20.615 ( 4.556 -5.775 0.351) 7.365 20.674 ( 0.377 -5.069 -1.356) 5.261 20.719 ( -2.152 -4.038 -3.913) 6.021 20.931 ( 4.654 -0.948 6.709) 8.220 20.990 ( -0.816 0.769 4.831) 4.959 21.085 ( 1.102 0.207 -5.408) 5.523 21.121 ( -2.002 0.424 -4.939) 5.346 21.452 ( 5.617 -1.824 4.270) 7.288 21.494 ( 4.132 -4.891 1.733) 6.633 21.597 ( -3.775 -3.213 -0.959) 5.049 21.629 ( -4.381 -5.078 -2.609) 7.196 ======================= Grid point 132 (49/60) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 0.000 28.820 10.006) 30.507 2.380 ( 0.000 18.987 -19.179) 26.988 2.449 ( 0.000 31.578 12.423) 33.933 2.795 ( 0.000 26.785 -19.615) 33.200 3.264 ( 0.000 15.128 19.841) 24.951 3.467 ( 0.000 -4.817 8.299) 9.596 3.565 ( 0.000 13.469 -3.747) 13.980 3.578 ( 0.000 -4.622 1.836) 4.973 3.695 ( 0.000 -7.799 13.293) 15.412 3.726 ( 0.000 38.264 16.569) 41.697 3.881 ( 0.000 -20.998 -4.280) 21.430 3.892 ( 0.000 -3.458 -0.154) 3.461 3.956 ( 0.000 -9.107 -6.703) 11.308 4.253 ( 0.000 12.820 -5.117) 13.803 4.278 ( 0.000 28.527 -24.985) 37.921 4.381 ( 0.000 14.488 -12.862) 19.373 4.756 ( 0.000 19.960 5.311) 20.655 4.848 ( 0.000 11.563 -2.835) 11.906 4.921 ( 0.000 8.529 -0.136) 8.530 4.970 ( 0.000 6.267 -4.552) 7.746 5.042 ( 0.000 13.619 -0.266) 13.621 5.054 ( 0.000 9.944 -0.397) 9.952 5.278 ( 0.000 0.455 3.135) 3.168 5.410 ( 0.000 6.510 -9.223) 11.289 5.691 ( 0.000 2.095 25.042) 25.129 5.970 ( 0.000 16.381 11.569) 20.055 6.105 ( 0.000 16.046 8.960) 18.378 6.152 ( 0.000 -14.117 -9.108) 16.800 6.321 ( 0.000 -21.276 5.519) 21.980 6.443 ( 0.000 7.171 11.117) 13.229 6.619 ( 0.000 -2.572 1.224) 2.849 6.644 ( 0.000 -12.591 -8.792) 15.357 6.752 ( 0.000 -13.211 -11.832) 17.735 6.870 ( 0.000 7.552 -15.214) 16.985 6.964 ( 0.000 4.082 3.172) 5.170 7.023 ( 0.000 3.760 -2.139) 4.326 7.058 ( 0.000 9.190 4.132) 10.076 7.175 ( 0.000 -1.439 4.969) 5.173 7.217 ( 0.000 7.502 -12.556) 14.627 7.282 ( 0.000 7.015 4.214) 8.183 7.283 ( 0.000 -1.489 -5.157) 5.368 7.397 ( 0.000 2.207 -6.971) 7.312 7.410 ( 0.000 -1.693 4.673) 4.970 7.458 ( 0.000 -9.731 1.734) 9.884 7.836 ( 0.000 -8.653 4.456) 9.733 7.859 ( 0.000 -10.163 13.709) 17.065 7.939 ( 0.000 -8.735 -3.725) 9.496 8.147 ( 0.000 -12.665 -11.939) 17.405 8.454 ( 0.000 -2.940 14.410) 14.707 8.634 ( 0.000 -11.571 2.877) 11.923 8.691 ( 0.000 5.491 -7.695) 9.453 8.740 ( 0.000 -7.817 -7.543) 10.862 9.007 ( 0.000 7.299 7.079) 10.168 9.146 ( 0.000 -3.904 -5.421) 6.681 9.417 ( 0.000 -7.646 14.960) 16.801 9.539 ( 0.000 21.587 6.469) 22.536 9.701 ( 0.000 -9.066 -11.026) 14.275 9.734 ( 0.000 15.631 -10.693) 18.939 10.464 ( 0.000 -10.527 4.813) 11.576 10.559 ( 0.000 -11.034 -3.611) 11.610 13.330 ( 0.000 -0.908 13.986) 14.016 13.418 ( 0.000 -3.228 7.388) 8.062 13.627 ( 0.000 -5.513 -11.299) 12.572 13.655 ( 0.000 -5.229 -15.451) 16.312 14.083 ( 0.000 6.395 12.526) 14.064 14.102 ( 0.000 13.438 12.426) 18.302 14.339 ( 0.000 7.878 -4.394) 9.021 14.416 ( 0.000 8.953 -17.953) 20.061 14.852 ( 0.000 11.374 7.214) 13.469 14.961 ( 0.000 16.918 7.542) 18.523 15.015 ( 0.000 -6.759 14.263) 15.783 15.068 ( 0.000 18.508 -11.021) 21.541 15.192 ( 0.000 5.935 -13.208) 14.480 15.287 ( 0.000 1.157 -3.440) 3.629 15.433 ( 0.000 6.374 5.729) 8.571 15.666 ( 0.000 9.202 -8.406) 12.464 15.772 ( 0.000 3.041 6.178) 6.886 15.840 ( 0.000 4.629 0.596) 4.668 15.913 ( 0.000 6.502 12.923) 14.466 16.039 ( 0.000 -7.391 3.036) 7.990 16.119 ( 0.000 -5.708 -3.448) 6.669 16.234 ( 0.000 2.044 -14.244) 14.390 16.452 ( 0.000 -3.976 7.146) 8.177 16.635 ( 0.000 -0.482 -10.336) 10.348 17.168 ( 0.000 0.581 13.136) 13.149 17.401 ( 0.000 3.358 -8.585) 9.218 17.643 ( 0.000 -0.370 5.812) 5.824 17.814 ( 0.000 -3.686 -11.146) 11.740 17.818 ( 0.000 -8.158 9.022) 12.164 17.889 ( 0.000 -19.389 0.350) 19.392 18.017 ( 0.000 -9.316 0.575) 9.334 18.096 ( 0.000 -9.652 -2.057) 9.868 18.413 ( 0.000 -9.753 3.707) 10.434 18.456 ( 0.000 0.343 15.684) 15.688 18.640 ( 0.000 6.604 -19.025) 20.139 18.748 ( 0.000 4.531 -11.224) 12.104 19.550 ( 0.000 5.451 18.268) 19.064 19.894 ( 0.000 7.081 -14.950) 16.542 20.182 ( 0.000 -11.826 9.324) 15.059 20.422 ( 0.000 -8.994 -12.875) 15.706 20.519 ( 0.000 9.725 11.471) 15.039 20.730 ( 0.000 11.200 -8.332) 13.959 20.983 ( 0.000 -5.577 11.564) 12.838 21.195 ( 0.000 -4.618 -8.261) 9.464 21.215 ( 0.000 12.259 5.373) 13.385 21.317 ( 0.000 11.303 -3.774) 11.916 21.623 ( 0.000 -3.383 3.356) 4.766 21.684 ( 0.000 -2.909 -2.111) 3.594 ======================= Grid point 133 (50/60) ======================= q-point: ( 0.09 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 2.648 26.276 7.022) 27.327 2.272 ( -6.358 25.443 -4.129) 26.549 2.571 ( 7.531 27.051 -1.191) 28.105 2.780 ( 0.180 27.895 -15.038) 31.691 3.237 ( -3.829 16.108 18.609) 24.909 3.402 ( -3.248 -3.668 8.346) 9.678 3.457 ( -7.055 0.322 4.749) 8.510 3.567 ( -1.999 8.099 -6.847) 10.792 3.652 ( -2.682 -1.403 6.508) 7.178 3.768 ( -2.047 -8.156 1.530) 8.546 3.904 ( 2.017 14.045 -1.710) 14.291 3.919 ( 0.830 -5.012 -0.856) 5.152 4.023 ( 6.647 -7.548 -1.168) 10.125 4.197 ( -1.286 5.733 -13.554) 14.773 4.332 ( 7.303 19.324 -0.660) 20.668 4.427 ( -4.352 21.582 -4.360) 22.444 4.677 ( -10.062 16.097 -2.411) 19.136 4.732 ( 5.478 17.364 -8.474) 20.083 4.987 ( 2.955 0.139 2.462) 3.848 4.995 ( 2.636 -0.558 0.684) 2.780 5.170 ( 9.072 10.869 2.708) 14.414 5.201 ( 6.194 9.295 2.635) 11.476 5.273 ( 2.929 3.441 -2.793) 5.312 5.373 ( -2.214 10.869 -8.648) 14.065 5.635 ( -4.041 4.181 15.811) 16.847 5.896 ( -9.743 8.074 0.822) 12.680 6.079 ( 0.792 6.380 1.210) 6.542 6.147 ( -3.107 -10.811 12.414) 16.752 6.260 ( -6.982 -4.360 -6.542) 10.514 6.326 ( -6.883 -6.068 6.670) 11.344 6.597 ( -2.414 -1.700 5.935) 6.628 6.698 ( 2.841 -2.750 -1.313) 4.166 6.755 ( -1.628 -8.668 -7.519) 11.590 6.911 ( -3.831 2.235 -0.319) 4.447 6.927 ( 2.803 4.049 -2.383) 5.471 6.975 ( 1.164 1.645 -12.838) 12.996 7.129 ( -3.744 3.125 5.695) 7.498 7.212 ( 1.901 -1.131 1.771) 2.833 7.226 ( 4.912 1.378 -1.104) 5.220 7.295 ( -1.663 -0.821 -8.218) 8.424 7.331 ( 3.315 1.719 6.528) 7.520 7.347 ( 0.113 -3.650 0.376) 3.671 7.403 ( 1.847 2.627 -1.481) 3.536 7.509 ( 7.402 3.248 -5.627) 9.849 7.835 ( 1.874 -9.971 6.915) 12.278 7.937 ( 1.815 -6.626 -0.851) 6.923 8.009 ( 7.715 -8.517 5.075) 12.562 8.173 ( 2.890 -9.859 -9.086) 13.715 8.432 ( -0.550 -3.026 9.808) 10.279 8.637 ( -2.804 -1.016 -10.916) 11.316 8.682 ( 2.753 -7.432 4.565) 9.146 8.752 ( 0.198 1.249 -1.194) 1.739 9.046 ( 3.396 7.429 3.953) 9.075 9.138 ( -0.551 -4.620 -4.335) 6.359 9.408 ( -0.381 -4.576 11.893) 12.748 9.503 ( -3.095 13.665 4.593) 14.744 9.680 ( 1.038 8.639 -4.035) 9.591 9.830 ( 5.865 3.065 -12.858) 14.461 10.456 ( -0.823 -10.139 5.294) 11.468 10.558 ( -0.122 -10.648 -3.830) 11.317 13.343 ( 1.352 -0.059 13.410) 13.478 13.463 ( 4.416 -3.678 7.549) 9.487 13.640 ( 0.413 -5.348 -12.004) 13.148 13.683 ( 3.525 -4.251 -13.002) 14.126 14.042 ( -2.576 8.262 11.624) 14.492 14.125 ( 1.177 9.814 9.511) 13.717 14.333 ( -0.612 7.733 -3.893) 8.679 14.376 ( -3.944 8.495 -17.359) 19.724 14.822 ( -2.343 9.600 5.224) 11.178 14.930 ( -4.486 4.318 6.737) 9.174 14.966 ( -1.705 11.931 4.603) 12.901 15.126 ( 3.119 3.886 0.661) 5.026 15.176 ( -1.155 6.426 -5.229) 8.365 15.325 ( 2.286 9.222 -3.996) 10.308 15.421 ( -1.487 2.685 1.442) 3.391 15.644 ( -2.982 7.717 -6.463) 10.498 15.725 ( -7.079 2.855 8.907) 11.731 15.828 ( -0.158 3.330 1.869) 3.822 15.885 ( 1.610 4.135 0.679) 4.488 15.990 ( -13.307 -0.526 -7.135) 15.109 16.062 ( -0.589 -3.489 1.094) 3.703 16.157 ( 4.136 -2.452 -5.433) 7.255 16.619 ( 10.774 -2.161 7.315) 13.201 16.695 ( -11.587 -8.290 4.698) 15.002 16.959 ( -4.115 11.454 -1.133) 12.223 17.103 ( -21.230 4.018 -10.473) 24.011 17.487 ( -12.458 0.145 6.300) 13.961 17.612 ( -14.109 -3.834 -5.946) 15.784 17.868 ( -8.552 -8.883 3.241) 12.750 17.903 ( -13.549 -10.845 1.295) 17.403 17.997 ( 0.848 -11.392 1.755) 11.557 18.036 ( -2.247 -5.460 0.438) 5.920 18.328 ( 3.920 -6.903 6.456) 10.232 18.503 ( -2.896 4.724 -1.405) 5.716 18.734 ( 6.932 -3.714 -6.000) 9.892 18.818 ( 3.814 1.628 -10.614) 11.396 19.598 ( 6.103 5.662 16.899) 18.838 19.903 ( 1.468 5.985 -11.823) 13.333 20.227 ( 4.772 -9.775 8.235) 13.644 20.457 ( 2.804 -1.414 -7.972) 8.568 20.523 ( 1.822 -0.012 4.558) 4.909 20.703 ( -1.985 7.784 -7.910) 11.274 21.032 ( 3.848 -1.913 9.444) 10.376 21.188 ( 0.057 1.102 0.562) 1.238 21.220 ( -0.224 9.200 -0.816) 9.239 21.319 ( 0.796 6.728 -3.248) 7.513 21.659 ( 2.703 -3.195 1.398) 4.412 21.691 ( 0.528 -2.983 -1.255) 3.279 ======================= Grid point 134 (51/60) ======================= q-point: ( 0.18 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.114 ( -2.232 25.161 4.017) 25.578 2.212 ( 2.074 21.141 -2.007) 21.337 2.700 ( 6.530 25.994 1.868) 26.867 2.876 ( 9.802 23.241 -11.189) 27.593 3.144 ( -4.524 9.703 13.073) 16.897 3.300 ( -6.148 -5.368 3.201) 8.767 3.377 ( -4.606 -3.170 -1.000) 5.680 3.538 ( 0.955 12.209 -2.100) 12.425 3.592 ( -3.400 0.662 1.347) 3.716 3.714 ( -2.976 -9.260 -2.453) 10.031 3.833 ( -3.755 3.244 1.495) 5.182 3.961 ( 0.111 0.224 -7.679) 7.684 4.165 ( 1.321 2.587 2.871) 4.084 4.204 ( 2.313 -0.310 6.123) 6.553 4.296 ( -3.405 8.800 -6.637) 11.536 4.369 ( -3.554 9.388 -9.019) 13.495 4.712 ( 14.258 19.121 8.717) 25.395 4.897 ( 5.007 8.354 -5.644) 11.256 4.921 ( -7.010 -11.741 6.398) 15.097 5.045 ( 0.244 -9.222 -2.388) 9.529 5.222 ( 1.395 7.370 4.984) 9.006 5.294 ( 2.305 9.231 0.981) 9.565 5.354 ( 2.486 2.974 3.659) 5.330 5.468 ( 9.319 14.437 -11.962) 20.937 5.597 ( 0.679 7.054 1.833) 7.320 5.679 ( -9.930 4.916 -2.962) 11.469 5.977 ( -9.036 -6.975 5.101) 12.503 6.096 ( -7.731 -3.071 -1.111) 8.393 6.134 ( -2.405 2.417 -1.303) 3.650 6.195 ( -5.579 -3.875 -0.357) 6.802 6.542 ( -3.099 -2.668 10.050) 10.850 6.682 ( -4.756 1.408 0.761) 5.018 6.698 ( -2.737 -3.960 -3.153) 5.754 6.876 ( -1.216 0.156 0.263) 1.254 6.935 ( -2.178 0.688 -4.195) 4.776 7.028 ( 0.451 0.112 -1.853) 1.910 7.044 ( -4.617 -4.027 4.488) 7.595 7.084 ( -3.659 3.566 7.916) 9.422 7.221 ( -4.787 -1.458 -2.254) 5.488 7.316 ( 1.917 -0.329 -7.126) 7.387 7.417 ( 6.007 -5.317 -0.015) 8.022 7.456 ( 4.297 3.740 4.462) 7.236 7.552 ( 9.540 -1.205 -6.342) 11.519 7.648 ( 6.385 3.982 -8.452) 11.317 7.878 ( 2.537 -5.320 5.764) 8.244 7.974 ( 2.432 -5.462 -1.336) 6.127 8.134 ( 5.514 -6.020 6.848) 10.656 8.266 ( 6.451 -3.047 -5.495) 9.005 8.467 ( 3.992 0.571 5.216) 6.593 8.640 ( 4.015 -0.960 -11.151) 11.891 8.674 ( -2.293 3.420 7.038) 8.154 8.783 ( 2.316 -0.636 -1.547) 2.857 9.072 ( -1.671 4.076 2.090) 4.876 9.161 ( 2.755 -0.573 -3.662) 4.619 9.423 ( 2.124 0.113 7.982) 8.261 9.471 ( 1.041 8.533 5.516) 10.214 9.720 ( 2.529 10.604 1.072) 10.954 9.931 ( 4.473 2.729 -13.908) 14.862 10.432 ( -1.738 -8.652 6.519) 10.972 10.553 ( -0.556 -9.137 -4.480) 10.192 13.379 ( 2.264 2.078 11.884) 12.275 13.573 ( 6.421 -3.787 7.965) 10.910 13.646 ( 0.504 -3.732 -11.362) 11.970 13.763 ( 3.564 -1.595 -6.717) 7.769 14.013 ( 0.353 5.630 5.060) 7.578 14.151 ( 1.797 5.916 3.748) 7.230 14.281 ( -5.037 6.520 -13.187) 15.550 14.318 ( -1.047 6.704 -3.248) 7.523 14.771 ( -4.038 10.702 4.069) 12.140 14.822 ( -4.853 1.274 4.135) 6.502 14.949 ( -1.498 2.487 9.391) 9.830 15.064 ( -6.060 1.357 -6.099) 8.704 15.202 ( 0.460 5.383 10.475) 11.786 15.326 ( -4.588 7.821 -4.160) 9.976 15.389 ( -0.040 7.357 -8.815) 11.482 15.526 ( -8.657 -1.924 -9.401) 12.923 15.599 ( -5.836 2.728 5.319) 8.354 15.726 ( -5.642 4.781 -3.283) 8.091 15.889 ( -1.108 -2.475 5.124) 5.797 15.934 ( 2.887 2.492 0.077) 3.814 16.096 ( 2.494 1.630 4.787) 5.638 16.211 ( -13.574 0.964 3.705) 14.103 16.327 ( -1.316 2.275 0.287) 2.644 16.553 ( -20.109 -3.657 -12.298) 23.853 16.878 ( 2.215 8.404 5.075) 10.064 16.917 ( -12.475 2.636 2.186) 12.937 17.353 ( -9.462 -3.326 -1.347) 10.119 17.392 ( 2.131 3.130 -4.729) 6.058 17.560 ( -14.451 -5.006 4.860) 16.048 17.635 ( -15.135 -7.306 -1.994) 16.924 17.847 ( -10.112 -3.827 3.506) 11.366 17.962 ( -8.375 -0.986 -6.958) 10.933 18.375 ( -7.101 4.009 7.631) 11.168 18.433 ( -1.919 -0.412 2.482) 3.164 18.724 ( -5.198 -1.070 1.266) 5.456 18.860 ( -2.041 -5.883 -10.393) 12.116 19.809 ( 14.861 2.598 8.531) 17.332 19.982 ( 7.151 2.480 -6.930) 10.263 20.359 ( 8.639 -6.807 8.098) 13.658 20.494 ( 1.646 1.820 4.979) 5.551 20.630 ( 8.072 -5.799 -10.361) 14.357 20.681 ( 0.052 2.115 -6.978) 7.292 21.086 ( 1.267 2.819 6.101) 6.839 21.208 ( 1.735 -0.609 2.080) 2.776 21.217 ( 0.487 8.238 1.150) 8.333 21.343 ( 1.285 3.933 -3.274) 5.277 21.689 ( -0.146 -3.729 0.130) 3.734 21.699 ( 0.239 -3.013 -0.468) 3.059 ======================= Grid point 135 (52/60) ======================= q-point: ( 0.27 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 3.966 17.371 8.140) 19.589 2.303 ( 6.807 12.494 -7.500) 16.084 2.843 ( 7.870 16.535 8.834) 20.332 3.066 ( -2.007 0.697 5.515) 5.910 3.106 ( 10.004 11.348 -9.886) 18.072 3.217 ( -2.644 -2.855 -3.943) 5.540 3.277 ( -2.774 1.497 6.121) 6.885 3.480 ( -4.980 2.792 -10.068) 11.574 3.626 ( 1.415 4.211 2.589) 5.142 3.673 ( 0.933 1.368 -2.009) 2.603 3.780 ( -2.553 2.183 4.391) 5.528 3.932 ( -1.833 1.742 -8.780) 9.137 4.081 ( -2.445 7.267 5.950) 9.705 4.183 ( -4.518 7.214 -3.312) 9.134 4.324 ( 1.693 -11.267 5.758) 12.766 4.420 ( 5.202 -4.118 -5.842) 8.840 4.724 ( -10.911 -19.030 6.688) 22.933 4.874 ( -1.405 -6.398 -1.445) 6.708 4.963 ( 3.559 4.185 -0.857) 5.561 5.034 ( -6.574 -9.153 -7.465) 13.517 5.216 ( 0.311 0.392 9.529) 9.542 5.318 ( 4.341 9.078 3.658) 10.707 5.394 ( 1.199 4.873 6.686) 8.359 5.519 ( -4.192 -1.521 -0.216) 4.464 5.578 ( -1.968 8.477 1.927) 8.913 5.690 ( 6.596 11.616 -11.425) 17.577 5.857 ( -2.767 0.811 1.097) 3.085 5.967 ( -2.032 4.074 -5.378) 7.046 6.067 ( -3.064 0.912 -1.648) 3.597 6.143 ( -1.224 4.218 -8.183) 9.287 6.468 ( -4.974 -4.256 9.293) 11.368 6.566 ( -7.522 -1.458 1.297) 7.771 6.652 ( -2.112 -1.734 1.278) 3.017 6.782 ( -4.982 -4.046 0.506) 6.438 6.898 ( -4.682 -1.289 6.317) 7.968 6.922 ( -1.971 6.732 6.470) 9.543 7.021 ( -2.363 5.178 -2.829) 6.356 7.099 ( -0.574 -2.828 10.258) 10.656 7.145 ( -0.884 -2.659 -7.547) 8.051 7.338 ( -0.195 -2.536 -11.103) 11.390 7.432 ( -1.976 1.238 -0.048) 2.332 7.527 ( 1.670 -3.014 -3.072) 4.617 7.692 ( 3.709 -2.950 -1.178) 4.883 7.717 ( -0.249 -0.851 -3.911) 4.010 7.936 ( 4.459 1.817 1.891) 5.173 8.034 ( 4.308 -1.121 -5.272) 6.900 8.274 ( 9.018 -0.083 8.628) 12.481 8.388 ( 5.754 2.899 -2.292) 6.838 8.557 ( 4.632 2.826 8.472) 10.061 8.639 ( -0.695 5.044 8.290) 9.729 8.798 ( 10.306 2.529 -11.339) 15.530 8.826 ( 2.820 0.044 -6.193) 6.805 9.017 ( -3.000 0.205 5.344) 6.132 9.185 ( -0.122 3.509 -6.530) 7.414 9.474 ( 2.429 4.114 6.546) 8.104 9.561 ( 7.275 4.419 3.920) 9.371 9.766 ( 2.271 9.807 4.364) 10.972 10.008 ( 3.981 4.991 -12.919) 14.410 10.388 ( -2.911 -5.573 7.696) 9.939 10.532 ( -1.790 -6.104 -5.418) 8.355 13.427 ( 2.691 4.713 10.156) 11.515 13.644 ( 0.899 0.880 -4.063) 4.254 13.703 ( 4.352 -4.457 2.281) 6.634 13.793 ( 0.493 2.688 0.256) 2.745 14.049 ( 1.745 2.878 -2.380) 4.123 14.186 ( 0.680 -2.004 -12.757) 12.931 14.226 ( 0.876 3.286 2.363) 4.141 14.306 ( 0.262 4.106 -2.467) 4.797 14.641 ( -7.512 7.065 8.936) 13.646 14.773 ( -1.869 0.550 -1.488) 2.452 14.878 ( -4.511 -3.774 4.859) 7.629 14.987 ( -2.688 -0.612 -4.922) 5.641 15.139 ( -8.495 5.786 3.235) 10.775 15.187 ( -3.508 -2.794 3.890) 5.937 15.373 ( -4.815 2.820 -9.317) 10.861 15.423 ( -2.357 3.561 -8.963) 9.928 15.490 ( -6.125 1.768 6.886) 9.384 15.583 ( -10.917 1.224 -1.053) 11.036 15.803 ( -7.165 4.261 8.232) 11.716 15.915 ( -7.073 0.573 1.160) 7.191 16.001 ( 0.300 -1.203 4.411) 4.582 16.112 ( -2.078 3.510 -0.111) 4.080 16.260 ( -7.676 -0.522 -2.388) 8.056 16.379 ( -4.404 3.265 -7.950) 9.657 16.701 ( -3.223 1.396 6.637) 7.509 16.841 ( -3.406 5.004 -5.688) 8.307 17.208 ( -11.048 -3.367 1.322) 11.625 17.223 ( -9.791 -2.682 0.667) 10.173 17.452 ( -0.801 1.247 4.076) 4.337 17.580 ( 2.810 4.928 -4.001) 6.942 17.659 ( -7.195 1.953 1.365) 7.579 17.791 ( -6.895 2.688 -7.560) 10.579 18.160 ( -12.310 8.589 9.739) 17.893 18.315 ( -9.875 6.158 -4.391) 12.438 18.590 ( -8.664 -0.638 6.597) 10.909 18.741 ( -9.131 -2.243 -6.475) 11.416 20.108 ( 14.965 -1.528 1.118) 15.084 20.160 ( 10.362 -2.258 -3.343) 11.119 20.529 ( 1.906 -2.822 5.502) 6.471 20.539 ( 9.243 -4.545 7.566) 12.781 20.697 ( 1.708 -1.545 -4.730) 5.261 20.798 ( 8.723 -3.286 -10.764) 14.239 21.088 ( -0.707 1.811 5.950) 6.259 21.212 ( -0.404 5.346 -5.278) 7.523 21.264 ( 3.120 -0.518 6.866) 7.559 21.363 ( 0.926 3.249 -2.287) 4.079 21.666 ( -2.173 -4.297 0.377) 4.829 21.679 ( -2.305 -3.436 -0.694) 4.195 ======================= Grid point 136 (53/60) ======================= q-point: ( 0.36 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.282 ( 13.029 2.839 7.430) 15.265 2.471 ( 10.382 3.550 -9.150) 14.287 2.964 ( 0.100 -4.158 6.613) 7.812 3.013 ( 0.654 -2.082 10.527) 10.751 3.095 ( -4.675 -10.658 -5.679) 12.950 3.280 ( 2.353 9.300 6.665) 11.681 3.355 ( 7.230 0.704 -15.058) 16.719 3.427 ( 1.962 6.706 -5.267) 8.750 3.596 ( -2.121 3.148 4.273) 5.716 3.711 ( 0.421 4.885 -2.570) 5.536 3.715 ( -3.775 2.633 3.392) 5.717 3.922 ( 0.361 3.812 -11.373) 12.000 4.095 ( -1.320 -5.931 5.387) 8.121 4.132 ( -2.623 -5.201 0.095) 5.825 4.260 ( 0.340 -2.170 8.589) 8.866 4.477 ( -0.304 -7.120 -8.073) 10.768 4.553 ( -8.238 -8.594 11.510) 16.559 4.812 ( -10.469 -10.329 -9.358) 17.431 4.862 ( -2.049 -11.630 2.457) 12.062 4.974 ( 3.494 -11.039 -4.158) 12.303 5.203 ( -5.154 -9.390 0.185) 10.713 5.301 ( -8.066 4.273 -4.621) 10.231 5.435 ( -0.994 0.175 6.758) 6.833 5.489 ( 4.283 7.390 4.520) 9.664 5.595 ( 6.649 8.769 8.712) 14.036 5.764 ( 1.169 2.243 -3.502) 4.320 5.860 ( 2.107 3.822 -2.827) 5.200 5.980 ( 0.347 5.444 -8.705) 10.273 6.063 ( 2.809 7.618 -0.640) 8.144 6.132 ( -0.317 6.384 -7.185) 9.617 6.346 ( -7.375 -2.210 3.848) 8.607 6.397 ( -9.202 -1.317 -0.660) 9.319 6.620 ( -0.750 -0.593 7.075) 7.139 6.739 ( -0.398 -3.733 6.646) 7.633 6.821 ( -3.182 -0.369 5.447) 6.319 6.899 ( -0.131 5.462 5.537) 7.779 6.981 ( -1.487 3.496 -2.668) 4.642 7.051 ( -2.344 0.122 8.713) 9.024 7.168 ( 1.294 -4.315 -10.088) 11.048 7.309 ( -1.368 -1.020 -9.044) 9.203 7.409 ( -0.817 5.031 -2.662) 5.750 7.510 ( -2.584 -1.555 -7.580) 8.158 7.629 ( -6.912 -0.350 3.891) 7.940 7.690 ( -3.748 -3.693 -0.930) 5.343 8.062 ( 7.842 3.460 -0.389) 8.580 8.168 ( 9.425 1.783 -8.222) 12.634 8.415 ( 3.133 7.455 5.492) 9.776 8.481 ( 3.859 6.128 0.610) 7.267 8.603 ( 1.317 3.868 10.865) 11.608 8.685 ( 4.615 1.418 7.189) 8.660 8.847 ( -1.891 2.765 -4.277) 5.432 8.885 ( -1.312 -0.210 1.602) 2.082 9.111 ( 12.641 1.907 -6.046) 14.141 9.195 ( 2.499 4.529 -6.589) 8.377 9.492 ( -1.005 3.446 5.414) 6.495 9.652 ( -0.355 3.280 -8.027) 8.678 9.847 ( 7.585 8.224 13.364) 17.429 10.097 ( 5.261 6.912 -7.985) 11.799 10.319 ( -4.104 -0.948 6.871) 8.059 10.478 ( -3.824 -1.835 -6.447) 7.717 13.483 ( 3.188 6.562 8.916) 11.521 13.653 ( -0.279 4.024 2.221) 4.604 13.722 ( -0.628 3.175 -2.634) 4.173 13.829 ( 1.676 -1.323 -3.160) 3.814 14.065 ( 1.124 -1.831 0.990) 2.366 14.170 ( -2.101 0.592 -2.647) 3.431 14.263 ( 0.942 -3.073 -3.367) 4.655 14.328 ( 0.586 -1.719 -6.465) 6.715 14.559 ( 0.818 -0.810 4.527) 4.671 14.685 ( -6.277 -1.909 -5.683) 8.680 14.870 ( 3.715 -2.870 2.670) 5.401 14.926 ( -1.828 -2.014 -1.208) 2.977 15.037 ( -3.637 2.942 9.344) 10.449 15.134 ( -7.941 -2.445 6.783) 10.726 15.201 ( -3.672 -3.629 -2.848) 5.896 15.284 ( -11.040 -3.675 -5.326) 12.797 15.399 ( -6.531 -1.006 -0.516) 6.628 15.446 ( -0.826 8.150 -1.896) 8.408 15.666 ( -7.355 6.746 2.853) 10.380 15.778 ( -7.784 5.426 -3.715) 10.190 16.009 ( -0.008 -3.351 3.892) 5.136 16.084 ( -0.645 0.093 -0.140) 0.666 16.149 ( -5.204 -3.253 2.092) 6.483 16.218 ( -7.302 -3.651 -1.869) 8.375 16.754 ( 4.945 6.755 2.129) 8.638 16.846 ( 3.309 7.889 -5.643) 10.248 17.054 ( -6.086 0.810 0.683) 6.178 17.068 ( -4.394 0.673 -0.589) 4.484 17.424 ( -3.345 2.833 4.273) 6.121 17.550 ( -2.243 4.960 3.492) 6.467 17.552 ( -4.797 4.996 -2.704) 7.435 17.768 ( -0.862 7.150 -11.267) 13.372 17.976 ( -4.770 9.903 10.151) 14.962 18.144 ( -4.953 9.820 -5.139) 12.140 18.395 ( -11.094 3.492 8.054) 14.147 18.544 ( -10.795 2.130 -5.272) 12.201 20.344 ( 8.587 -4.617 -0.572) 9.766 20.361 ( 10.842 -3.597 -1.899) 11.579 20.558 ( 0.851 -5.225 4.065) 6.674 20.658 ( 1.705 -3.250 -3.016) 4.750 20.772 ( 6.770 -2.884 5.990) 9.489 20.953 ( 7.085 -1.454 -8.530) 11.184 21.063 ( -1.995 0.111 6.182) 6.497 21.193 ( -1.632 3.305 -5.451) 6.580 21.330 ( 3.782 -1.631 4.363) 6.000 21.385 ( 1.601 1.712 -0.542) 2.406 21.608 ( -3.788 -4.802 -0.055) 6.117 21.616 ( -4.023 -3.666 -0.592) 5.475 ======================= Grid point 137 (54/60) ======================= q-point: ( 0.45 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.571 ( 15.529 -8.204 3.092) 17.833 2.684 ( 11.529 -4.400 -7.425) 14.402 2.826 ( -10.607 -10.226 2.066) 14.878 2.908 ( -10.950 -10.929 -5.290) 16.350 3.195 ( 10.523 -4.072 11.538) 16.138 3.340 ( 0.695 1.007 8.241) 8.331 3.414 ( 1.704 -0.931 -3.816) 4.281 3.457 ( -0.272 3.621 -3.304) 4.909 3.595 ( -1.037 1.999 -2.677) 3.498 3.616 ( -6.611 -1.421 6.744) 9.550 3.709 ( 3.513 2.551 -8.456) 9.506 3.864 ( -8.731 -6.659 -11.155) 15.653 4.061 ( 5.888 1.272 9.213) 11.007 4.140 ( 4.355 -4.196 3.847) 7.168 4.313 ( -7.601 -4.230 6.149) 10.653 4.328 ( -6.676 -5.076 5.060) 9.795 4.596 ( 10.916 -2.438 -6.315) 12.844 4.699 ( 4.825 -5.324 -10.058) 12.361 4.799 ( -9.304 -8.705 2.180) 12.926 4.948 ( -12.939 -2.926 -9.714) 16.442 5.111 ( 6.445 -8.110 9.361) 13.962 5.274 ( -3.620 -7.608 7.252) 11.116 5.377 ( 3.930 -5.415 -8.634) 10.923 5.515 ( -4.635 -0.217 -8.312) 9.519 5.738 ( 6.562 4.350 8.931) 11.906 5.791 ( 1.157 3.787 4.289) 5.838 5.902 ( 2.660 1.224 -3.471) 4.541 5.964 ( -2.503 3.058 -6.397) 7.519 6.109 ( 0.573 6.568 3.328) 7.385 6.110 ( -1.285 3.163 3.047) 4.576 6.234 ( -2.567 5.292 -4.404) 7.347 6.255 ( -4.683 4.555 -5.319) 8.424 6.636 ( 2.548 -0.537 11.377) 11.671 6.705 ( -3.782 -2.039 14.608) 15.227 6.811 ( 2.883 -0.302 -3.562) 4.593 6.885 ( -3.143 0.473 0.406) 3.204 6.977 ( 1.910 3.020 3.161) 4.771 7.019 ( -1.673 1.263 8.774) 9.021 7.206 ( 3.754 -0.818 -12.247) 12.836 7.293 ( -3.044 -1.301 -12.658) 13.083 7.393 ( 1.477 5.279 1.596) 5.709 7.473 ( -3.880 3.641 2.651) 5.944 7.515 ( -0.403 0.558 -5.963) 6.003 7.591 ( -5.649 -0.572 -4.442) 7.209 8.219 ( 8.263 3.277 3.117) 9.419 8.360 ( 6.961 3.503 -5.951) 9.805 8.367 ( -3.657 4.931 3.205) 6.926 8.499 ( -3.475 6.740 -3.961) 8.555 8.664 ( 4.403 4.332 9.651) 11.459 8.755 ( -4.559 2.062 5.652) 7.549 8.777 ( 4.280 2.678 3.739) 6.282 8.858 ( -3.028 2.583 -0.333) 3.994 9.289 ( 7.028 3.218 -1.363) 7.849 9.353 ( 9.040 3.554 -4.825) 10.846 9.437 ( -2.716 2.338 -1.341) 3.826 9.564 ( -7.699 3.312 -9.761) 12.866 10.017 ( 8.821 5.498 13.261) 16.849 10.151 ( -3.250 3.250 9.917) 10.930 10.281 ( 3.209 5.724 -7.127) 9.688 10.385 ( -5.731 2.875 -7.772) 10.075 13.549 ( 3.622 7.220 8.696) 11.869 13.616 ( -3.130 7.032 8.986) 11.832 13.744 ( 2.858 2.581 -7.741) 8.646 13.811 ( -3.212 1.612 -7.214) 8.060 14.104 ( 2.499 -6.224 4.304) 7.969 14.141 ( -0.972 -3.988 2.475) 4.794 14.256 ( -0.364 -4.322 -7.732) 8.866 14.288 ( -3.602 -2.956 -9.696) 10.757 14.636 ( 3.694 -2.672 1.175) 4.708 14.681 ( 8.941 -3.698 -1.986) 9.878 14.803 ( -10.573 -1.750 4.403) 11.586 14.897 ( -8.444 -2.155 -2.974) 9.208 15.005 ( 4.338 -6.040 8.955) 11.640 15.048 ( 1.754 -0.821 4.531) 4.928 15.126 ( -1.604 -2.946 1.549) 3.695 15.216 ( -2.953 -5.256 -6.382) 8.779 15.316 ( 1.269 2.378 7.573) 8.038 15.411 ( -4.001 6.227 3.598) 8.230 15.550 ( -2.389 4.661 -8.685) 10.142 15.613 ( -7.762 4.898 -8.698) 12.645 16.013 ( 0.785 -3.193 5.896) 6.751 16.044 ( -2.576 -2.618 5.790) 6.857 16.112 ( 0.698 -2.801 -2.996) 4.160 16.138 ( -2.085 -3.160 -2.859) 4.744 16.850 ( 4.919 7.740 3.167) 9.702 16.916 ( 1.908 6.310 -0.295) 6.599 16.964 ( -2.633 5.060 -0.089) 5.705 17.005 ( -2.937 2.829 -1.644) 4.397 17.400 ( 1.303 5.809 3.227) 6.772 17.473 ( -5.439 6.517 6.161) 10.489 17.527 ( 3.773 7.305 -8.838) 12.071 17.659 ( -8.359 7.722 -11.217) 15.979 18.005 ( 6.400 8.790 10.705) 15.258 18.152 ( -2.179 8.482 5.100) 10.134 18.206 ( -1.939 7.142 -0.838) 7.447 18.343 ( -9.706 5.879 -5.660) 12.681 20.474 ( 4.860 -5.627 1.940) 7.684 20.514 ( 3.020 -4.426 1.720) 5.627 20.569 ( 2.145 -5.336 -2.721) 6.363 20.640 ( -2.894 -3.867 -5.697) 7.469 20.904 ( 6.152 -1.472 8.116) 10.290 21.000 ( -3.718 0.026 7.329) 8.218 21.074 ( 4.671 -0.513 -7.329) 8.707 21.149 ( -3.046 1.670 -6.170) 7.081 21.409 ( 4.051 -3.134 3.396) 6.145 21.428 ( 2.468 -1.078 2.137) 3.437 21.529 ( -3.760 -4.207 -1.290) 5.788 21.536 ( -3.893 -3.654 -1.438) 5.530 ======================= Grid point 143 (55/60) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.634 ( 0.000 29.485 1.790) 29.540 2.757 ( 0.000 20.479 -10.452) 22.992 2.998 ( 0.000 21.266 9.100) 23.131 3.146 ( 0.000 -15.074 -0.596) 15.086 3.219 ( 0.000 -20.011 -6.089) 20.917 3.300 ( 0.000 14.981 -12.996) 19.833 3.459 ( 0.000 -0.944 16.718) 16.745 3.479 ( 0.000 -10.119 9.691) 14.011 3.584 ( 0.000 -5.463 14.294) 15.302 3.679 ( 0.000 -17.153 -9.829) 19.770 3.789 ( 0.000 2.913 -0.989) 3.076 3.813 ( 0.000 -0.359 -11.379) 11.384 4.520 ( 0.000 32.704 13.300) 35.305 4.529 ( 0.000 14.543 1.620) 14.633 4.684 ( 0.000 14.836 -9.929) 17.852 4.819 ( 0.000 6.252 -3.680) 7.255 4.836 ( 0.000 2.867 -3.468) 4.499 4.951 ( 0.000 3.777 -5.528) 6.696 4.978 ( 0.000 -4.538 1.619) 4.819 5.063 ( 0.000 1.525 -5.760) 5.958 5.284 ( 0.000 6.901 7.158) 9.942 5.357 ( 0.000 16.297 9.515) 18.871 5.447 ( 0.000 22.520 -5.543) 23.193 5.571 ( 0.000 -17.735 16.084) 23.942 5.661 ( 0.000 22.314 -18.863) 29.219 5.693 ( 0.000 -21.774 16.656) 27.414 5.919 ( 0.000 -23.994 -8.869) 25.581 6.170 ( 0.000 -27.882 -21.732) 35.351 6.285 ( 0.000 15.262 5.540) 16.236 6.383 ( 0.000 12.107 -1.426) 12.190 6.527 ( 0.000 -9.224 2.264) 9.498 6.582 ( 0.000 -8.895 -2.486) 9.236 6.690 ( 0.000 17.452 19.111) 25.881 7.006 ( 0.000 -11.065 9.763) 14.757 7.027 ( 0.000 7.999 -9.245) 12.225 7.114 ( 0.000 1.399 -2.115) 2.536 7.171 ( 0.000 9.193 4.120) 10.074 7.194 ( 0.000 5.074 4.771) 6.965 7.267 ( 0.000 -1.298 -0.717) 1.483 7.309 ( 0.000 -0.485 1.247) 1.338 7.333 ( 0.000 -0.842 -3.216) 3.324 7.363 ( 0.000 3.402 -5.948) 6.852 7.400 ( 0.000 -3.183 -3.877) 5.016 7.419 ( 0.000 -0.261 -5.020) 5.026 7.669 ( 0.000 -5.739 6.158) 8.418 7.688 ( 0.000 -6.378 9.474) 11.421 7.813 ( 0.000 -1.394 -7.106) 7.241 7.910 ( 0.000 -10.249 -10.677) 14.800 8.409 ( 0.000 -0.589 14.639) 14.651 8.460 ( 0.000 -6.053 7.888) 9.943 8.653 ( 0.000 -0.778 -10.398) 10.427 8.695 ( 0.000 -3.527 -12.303) 12.799 9.118 ( 0.000 5.901 8.363) 10.236 9.259 ( 0.000 12.270 -4.835) 13.189 9.262 ( 0.000 -8.273 12.830) 15.266 9.498 ( 0.000 -11.821 -8.902) 14.798 9.920 ( 0.000 17.992 4.253) 18.488 10.029 ( 0.000 15.207 -5.233) 16.082 10.228 ( 0.000 -14.063 4.080) 14.643 10.315 ( 0.000 -14.143 -3.511) 14.573 13.334 ( 0.000 1.131 7.408) 7.494 13.367 ( 0.000 -2.192 5.070) 5.524 13.550 ( 0.000 -1.762 -12.455) 12.579 13.567 ( 0.000 -3.277 -14.759) 15.118 14.234 ( 0.000 8.252 17.189) 19.067 14.317 ( 0.000 5.300 14.746) 15.669 14.404 ( 0.000 2.198 5.992) 6.383 14.504 ( 0.000 -2.091 -4.121) 4.621 14.982 ( 0.000 4.713 -0.480) 4.737 15.023 ( 0.000 7.700 -5.721) 9.593 15.133 ( 0.000 -5.879 -13.782) 14.984 15.185 ( 0.000 -7.304 -13.807) 15.620 15.361 ( 0.000 21.005 6.082) 21.868 15.505 ( 0.000 21.447 -7.635) 22.765 15.632 ( 0.000 9.344 11.581) 14.880 15.698 ( 0.000 -10.333 5.207) 11.570 15.776 ( 0.000 -3.118 9.340) 9.847 15.896 ( 0.000 -12.566 -3.988) 13.183 15.903 ( 0.000 1.648 -2.575) 3.057 15.919 ( 0.000 -5.508 -7.321) 9.161 16.099 ( 0.000 12.155 11.021) 16.408 16.321 ( 0.000 -9.597 10.105) 13.936 16.350 ( 0.000 9.163 -11.417) 14.639 16.532 ( 0.000 -8.649 -9.797) 13.069 17.279 ( 0.000 10.007 11.367) 15.144 17.520 ( 0.000 8.124 -9.739) 12.682 17.531 ( 0.000 -15.968 6.286) 17.161 17.672 ( 0.000 -7.562 -6.650) 10.070 17.703 ( 0.000 6.865 1.507) 7.028 17.763 ( 0.000 -0.354 -5.567) 5.579 17.840 ( 0.000 -8.392 2.562) 8.775 17.890 ( 0.000 -11.232 -1.718) 11.363 18.360 ( 0.000 2.682 16.121) 16.343 18.429 ( 0.000 -3.080 18.265) 18.523 18.766 ( 0.000 4.783 -21.092) 21.627 18.803 ( 0.000 0.806 -16.089) 16.109 19.702 ( 0.000 10.405 17.259) 20.153 19.936 ( 0.000 -13.180 12.987) 18.503 20.050 ( 0.000 9.062 -15.905) 18.305 20.236 ( 0.000 -10.013 -14.945) 17.989 20.699 ( 0.000 8.893 12.467) 15.314 20.857 ( 0.000 -7.463 12.386) 14.461 20.928 ( 0.000 9.266 -8.968) 12.896 21.084 ( 0.000 -6.957 -8.870) 11.273 21.411 ( 0.000 8.283 4.641) 9.494 21.496 ( 0.000 7.504 -3.065) 8.105 21.540 ( 0.000 -5.387 3.954) 6.682 21.612 ( 0.000 -4.722 -2.515) 5.350 ======================= Grid point 144 (56/60) ======================= q-point: ( 0.09 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.618 ( -1.522 27.029 0.269) 27.073 2.700 ( -4.539 20.694 -7.436) 22.453 3.065 ( 1.479 -1.040 1.722) 2.497 3.110 ( 0.438 1.808 2.312) 2.968 3.156 ( -5.313 -15.321 -3.328) 16.554 3.298 ( 0.541 19.736 -8.810) 21.619 3.486 ( 1.424 8.694 15.400) 17.742 3.536 ( 5.052 -16.559 7.807) 18.991 3.580 ( 0.245 -7.667 10.937) 13.359 3.726 ( 3.055 -13.823 -5.163) 15.069 3.754 ( -3.108 5.197 1.905) 6.348 3.823 ( 1.506 -3.390 -11.473) 12.058 4.311 ( -9.339 21.194 3.159) 23.375 4.501 ( -12.871 19.090 -11.070) 25.547 4.730 ( -7.078 -12.352 4.738) 15.003 4.737 ( 3.966 12.206 4.879) 13.730 4.841 ( -6.486 12.479 -3.234) 14.431 4.894 ( -1.224 -3.966 -8.244) 9.229 4.951 ( -3.077 2.349 -1.297) 4.083 5.027 ( -3.364 9.575 -6.355) 11.974 5.297 ( 2.250 4.249 6.647) 8.204 5.354 ( -1.650 5.305 11.259) 12.555 5.410 ( -0.594 9.920 -0.550) 9.953 5.611 ( 2.475 -2.893 5.178) 6.427 5.656 ( -2.671 1.058 -7.001) 7.568 5.769 ( 7.675 -3.583 4.437) 9.562 5.853 ( -4.130 -10.679 -3.369) 11.935 6.133 ( -3.140 -14.479 -14.243) 20.552 6.269 ( -2.603 10.355 3.500) 11.236 6.337 ( -4.403 6.499 -0.933) 7.905 6.498 ( -2.105 -8.589 3.425) 9.483 6.584 ( 1.561 -6.803 -5.008) 8.591 6.716 ( -1.073 5.443 15.855) 16.798 6.964 ( -4.687 1.334 2.636) 5.540 6.998 ( -2.519 -0.990 0.803) 2.823 7.064 ( -4.723 5.494 -12.084) 14.089 7.107 ( -5.291 -0.023 3.143) 6.154 7.195 ( 2.950 -1.982 3.811) 5.211 7.235 ( -1.660 -0.952 -2.842) 3.426 7.260 ( 2.229 -0.555 -2.519) 3.410 7.339 ( -2.569 4.302 6.869) 8.502 7.421 ( 5.579 2.399 2.790) 6.683 7.494 ( 4.322 4.029 -3.849) 7.052 7.586 ( 10.099 3.539 -4.138) 11.473 7.640 ( 5.225 -7.621 3.599) 9.916 7.785 ( 0.911 -6.884 -9.625) 11.868 7.860 ( 8.978 -5.780 6.883) 12.704 8.026 ( 9.275 -4.304 -8.170) 13.088 8.392 ( 2.035 -0.874 9.413) 9.670 8.549 ( 4.878 -3.698 7.801) 9.916 8.604 ( -0.625 -1.469 -9.667) 9.798 8.755 ( 2.749 -1.989 -8.722) 9.359 9.120 ( -0.062 4.435 8.305) 9.415 9.235 ( -0.246 2.209 7.699) 8.014 9.304 ( 2.449 1.913 0.415) 3.135 9.507 ( 1.187 -8.555 -8.116) 11.852 9.926 ( 0.521 15.808 3.847) 16.277 10.040 ( 1.130 13.687 -5.934) 14.961 10.231 ( 0.337 -13.023 4.600) 13.816 10.324 ( 1.010 -13.218 -3.639) 13.746 13.356 ( 2.357 1.062 6.483) 6.979 13.407 ( 3.904 -1.892 5.761) 7.212 13.549 ( 0.875 -3.133 -11.836) 12.275 13.620 ( 4.396 -1.828 -14.169) 14.947 14.189 ( -3.899 6.879 16.181) 18.010 14.320 ( -0.186 5.788 13.186) 14.402 14.395 ( -0.959 2.093 5.038) 5.539 14.486 ( -2.047 -0.285 -5.770) 6.129 14.913 ( -6.086 4.263 1.576) 7.596 14.997 ( -2.946 6.206 -5.968) 9.100 15.048 ( -6.594 -4.044 -11.148) 13.569 15.139 ( -4.371 -6.480 -11.643) 14.023 15.394 ( 2.471 15.494 5.986) 16.793 15.513 ( -3.146 13.401 3.379) 14.174 15.602 ( -1.886 9.533 1.308) 9.805 15.681 ( -3.048 -5.797 7.395) 9.879 15.737 ( -3.386 -5.215 6.499) 8.994 15.835 ( -2.314 1.519 -3.377) 4.366 15.931 ( -1.073 -4.661 -3.009) 5.651 15.971 ( -0.487 2.725 2.197) 3.534 16.058 ( -11.292 -0.153 -8.245) 13.983 16.118 ( 9.676 1.092 -7.109) 12.057 16.534 ( 4.005 -5.186 6.877) 9.499 16.554 ( -4.428 -3.998 5.277) 7.965 17.153 ( -10.586 5.567 -2.129) 12.149 17.222 ( -6.336 8.080 -8.243) 13.167 17.484 ( -15.853 -0.866 4.644) 16.542 17.576 ( -14.262 -1.153 -3.881) 14.826 17.688 ( -7.790 -6.315 5.291) 11.338 17.721 ( -4.861 -4.829 1.267) 6.968 17.802 ( -0.869 -8.415 1.401) 8.575 17.948 ( 5.648 -3.616 -8.310) 10.678 18.268 ( 0.996 -0.113 16.448) 16.479 18.566 ( 2.304 1.375 11.454) 11.764 18.698 ( 0.113 -0.294 -17.580) 17.583 18.859 ( -0.579 1.464 -12.240) 12.341 19.746 ( 4.710 8.799 14.145) 17.311 19.987 ( 4.266 -4.227 7.424) 9.549 20.052 ( 2.637 -1.272 -6.746) 7.354 20.337 ( 9.154 -5.717 -16.259) 19.515 20.597 ( -6.095 2.983 11.038) 12.957 20.825 ( -6.810 3.988 -10.188) 12.888 20.984 ( 8.270 -1.930 11.475) 14.275 21.154 ( 3.287 -1.967 -2.735) 4.706 21.374 ( -2.066 5.265 1.827) 5.944 21.463 ( -1.954 6.238 -3.756) 7.539 21.590 ( 2.763 -3.717 2.215) 5.134 21.628 ( 1.233 -2.920 -0.880) 3.290 ======================= Grid point 145 (57/60) ======================= q-point: ( 0.18 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.574 ( -3.508 23.068 -1.677) 23.393 2.617 ( -3.255 19.326 -5.006) 20.228 2.981 ( -5.869 -16.259 -0.321) 17.289 3.030 ( -6.042 -18.898 -3.406) 20.131 3.231 ( 5.018 25.123 4.910) 26.085 3.330 ( 3.075 20.416 -1.971) 20.741 3.473 ( -2.661 8.949 13.673) 16.557 3.580 ( 0.666 -6.008 8.804) 10.679 3.632 ( 1.239 -7.529 2.876) 8.154 3.720 ( 1.843 1.631 3.938) 4.644 3.768 ( 2.304 -8.322 -1.884) 8.838 3.865 ( 0.347 -3.161 -10.867) 11.322 4.182 ( -3.565 9.719 -0.490) 10.364 4.293 ( -6.063 10.700 -7.208) 14.255 4.521 ( -12.022 -12.126 3.079) 17.350 4.605 ( -12.417 2.522 -1.923) 12.816 4.673 ( -11.935 3.428 -3.879) 13.010 4.766 ( -11.751 5.736 -10.322) 16.659 4.930 ( -2.730 -5.969 -1.021) 6.643 5.002 ( -2.917 -5.186 -6.356) 8.707 5.293 ( 0.025 5.674 13.824) 14.943 5.383 ( 4.152 -1.094 7.238) 8.416 5.430 ( 1.502 3.862 1.501) 4.407 5.546 ( -4.026 -5.063 -4.331) 7.785 5.699 ( 4.656 6.738 7.322) 10.986 5.818 ( -0.531 0.739 3.743) 3.852 5.918 ( 5.977 7.252 -6.168) 11.241 6.054 ( -4.902 -2.993 -5.934) 8.258 6.183 ( -4.482 5.345 2.044) 7.269 6.264 ( -2.863 4.176 -5.233) 7.281 6.454 ( -2.856 -5.299 9.420) 11.179 6.626 ( 1.276 -4.902 1.094) 5.182 6.642 ( -3.915 -2.883 -0.318) 4.872 6.817 ( -8.068 -2.133 5.650) 10.078 6.934 ( -4.887 0.994 -14.636) 15.462 7.002 ( -1.532 -5.187 -7.178) 8.988 7.084 ( 0.357 5.607 4.132) 6.974 7.178 ( -3.211 4.776 2.310) 6.201 7.214 ( -4.669 1.230 3.892) 6.202 7.288 ( 0.430 -2.103 -1.880) 2.854 7.340 ( 5.273 -2.798 9.002) 10.801 7.530 ( 4.370 2.158 4.572) 6.682 7.580 ( 3.784 3.391 -4.107) 6.534 7.671 ( 1.121 -2.936 -5.920) 6.703 7.807 ( 9.058 -0.412 0.034) 9.067 7.875 ( 7.102 -3.403 -8.216) 11.381 8.032 ( 9.945 -3.645 9.824) 14.447 8.234 ( 11.721 -0.519 -6.935) 13.629 8.504 ( 8.462 2.273 4.744) 9.964 8.617 ( 4.452 -0.391 -2.071) 4.925 8.658 ( 3.992 -2.723 -0.607) 4.870 8.790 ( 1.463 -0.342 -5.377) 5.583 9.084 ( -3.724 0.400 8.509) 9.297 9.271 ( 2.231 7.000 -1.603) 7.520 9.355 ( 4.246 -3.564 7.257) 9.132 9.557 ( 4.016 -0.951 -4.568) 6.156 9.935 ( 0.302 11.061 3.412) 11.579 10.075 ( 2.573 10.393 -7.618) 13.140 10.244 ( 0.982 -10.069 5.636) 11.580 10.354 ( 2.074 -10.515 -4.089) 11.471 13.421 ( 4.311 1.915 5.273) 7.076 13.506 ( 6.076 -2.015 6.338) 9.008 13.584 ( 2.621 -2.755 -9.362) 10.105 13.722 ( 5.770 -1.495 -12.687) 14.017 14.109 ( -3.951 4.452 12.405) 13.759 14.304 ( -1.540 5.733 7.901) 9.882 14.358 ( -3.621 0.639 -0.546) 3.717 14.429 ( -3.118 4.358 -3.491) 6.395 14.791 ( -5.747 -1.546 7.514) 9.586 14.899 ( -6.160 2.278 -6.817) 9.467 14.936 ( -6.390 -1.833 -4.293) 7.914 15.036 ( -5.493 -2.712 -8.855) 10.768 15.312 ( -12.386 1.754 8.099) 14.903 15.426 ( 0.321 8.603 6.398) 10.726 15.558 ( -15.735 3.253 -10.348) 19.111 15.607 ( -4.654 1.578 6.269) 7.965 15.627 ( -0.186 7.413 -7.175) 10.318 15.778 ( -3.790 -1.078 0.510) 3.973 15.808 ( -3.563 -3.286 1.898) 5.205 15.934 ( 1.021 -2.382 -3.362) 4.245 16.142 ( 7.442 2.131 9.698) 12.409 16.214 ( -16.172 -0.154 11.553) 19.875 16.389 ( 12.256 2.989 -12.067) 17.457 16.473 ( -14.903 -3.419 -11.726) 19.269 16.990 ( -22.102 3.642 9.133) 24.191 17.051 ( 0.310 8.408 8.149) 11.713 17.245 ( -13.500 -6.775 -1.877) 15.221 17.351 ( -6.984 -4.484 -4.523) 9.452 17.504 ( -4.437 -2.345 0.330) 5.029 17.605 ( -0.669 4.639 -6.834) 8.287 17.756 ( -5.712 -5.399 4.315) 8.966 17.937 ( -6.043 -1.477 -10.953) 12.596 18.366 ( 6.069 -1.188 16.026) 17.177 18.503 ( -7.940 4.029 10.249) 13.577 18.710 ( -2.103 -1.411 -9.182) 9.525 18.770 ( -6.869 -2.172 -10.414) 12.663 19.886 ( 9.749 3.818 6.089) 12.112 20.048 ( 3.745 3.564 -7.629) 9.216 20.218 ( 12.320 -6.471 12.731) 18.861 20.506 ( -1.183 -1.157 9.191) 9.339 20.549 ( 9.836 -1.278 -15.595) 18.482 20.720 ( -3.718 1.341 -10.097) 10.844 21.105 ( 2.948 0.077 8.770) 9.252 21.179 ( 1.221 -1.049 6.329) 6.531 21.354 ( -0.720 4.457 -3.016) 5.430 21.439 ( -0.369 4.420 -5.911) 7.390 21.616 ( -0.157 -3.343 2.116) 3.959 21.642 ( -0.121 -2.245 0.023) 2.249 ======================= Grid point 146 (58/60) ======================= q-point: ( 0.27 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -3.905 20.205 2.174) 20.693 2.587 ( -0.249 15.836 -5.218) 16.675 2.865 ( -6.036 -15.277 0.470) 16.433 2.924 ( -5.256 -16.721 -4.575) 18.115 3.211 ( -4.406 19.391 11.575) 23.009 3.431 ( 4.683 14.913 -3.993) 16.133 3.456 ( -0.091 7.873 6.636) 10.297 3.546 ( -5.892 -3.722 1.670) 7.166 3.608 ( 1.317 -0.364 8.046) 8.161 3.752 ( -3.768 0.052 -2.317) 4.424 3.810 ( 1.675 -7.747 -3.324) 8.594 3.851 ( 2.183 1.925 -6.482) 7.105 4.183 ( 1.087 0.050 3.557) 3.719 4.238 ( -6.700 2.551 9.420) 11.838 4.323 ( -3.897 -4.454 -4.942) 7.710 4.411 ( -6.793 11.810 -5.904) 14.848 4.477 ( -4.888 -2.845 -2.020) 6.006 4.564 ( -6.043 -7.828 -14.526) 17.573 4.770 ( -11.074 -17.292 -4.051) 20.930 4.823 ( -12.924 -15.245 -6.847) 21.126 5.329 ( -2.032 7.095 13.974) 15.804 5.436 ( 1.094 -0.197 8.092) 8.168 5.475 ( -2.441 1.578 5.186) 5.945 5.508 ( 5.060 2.538 3.162) 6.484 5.775 ( 3.055 6.009 4.643) 8.185 5.809 ( -2.127 7.386 -0.681) 7.716 5.914 ( -2.718 3.555 -3.554) 5.715 6.016 ( -0.499 -3.187 -6.679) 7.418 6.140 ( -0.002 3.833 2.261) 4.450 6.238 ( 0.444 3.596 -10.040) 10.673 6.395 ( -3.423 -2.187 9.967) 10.763 6.527 ( -6.360 -1.946 0.139) 6.653 6.672 ( 1.666 3.333 -3.553) 5.149 6.695 ( -4.339 -3.140 8.633) 10.159 6.846 ( -3.513 -1.626 -9.782) 10.520 6.974 ( -2.505 -6.907 -6.118) 9.561 7.066 ( -1.990 3.404 -0.482) 3.972 7.105 ( -2.814 2.056 9.312) 9.942 7.141 ( -2.988 2.195 -1.976) 4.201 7.283 ( 0.115 -1.501 -5.924) 6.113 7.437 ( 3.939 -0.029 5.471) 6.741 7.567 ( -0.759 4.383 -0.747) 4.510 7.626 ( 0.841 -3.031 1.605) 3.532 7.663 ( -1.931 -4.033 -1.496) 4.716 7.961 ( 7.472 0.554 -3.008) 8.074 8.018 ( 7.664 -0.354 -8.915) 11.762 8.271 ( 14.319 -0.199 12.543) 19.037 8.445 ( 9.406 2.305 -1.949) 9.878 8.634 ( 4.056 4.176 6.252) 8.543 8.688 ( 1.760 -0.586 7.142) 7.379 8.800 ( 9.187 0.447 -12.867) 15.816 8.836 ( 4.509 -0.562 -5.363) 7.029 9.006 ( -2.763 -0.744 9.350) 9.778 9.268 ( -1.263 3.643 -12.229) 12.823 9.477 ( 6.006 -1.130 11.391) 12.927 9.644 ( 4.584 2.099 -1.915) 5.393 9.938 ( 0.278 6.864 5.881) 9.043 10.140 ( 4.172 7.874 -7.648) 11.743 10.266 ( 1.200 -6.334 5.315) 8.355 10.397 ( 2.177 -6.706 -4.947) 8.613 13.514 ( 5.019 3.591 4.709) 7.763 13.626 ( 6.100 -2.557 6.383) 9.192 13.644 ( 3.465 -0.648 -5.966) 6.930 13.820 ( 3.652 -0.230 -7.932) 8.735 14.050 ( -1.804 -0.233 4.570) 4.919 14.222 ( -7.073 3.337 -9.428) 12.249 14.295 ( -1.763 1.660 6.919) 7.331 14.385 ( -1.958 3.644 -0.560) 4.174 14.693 ( -7.000 0.683 7.341) 10.166 14.762 ( -6.531 -6.036 8.630) 12.392 14.799 ( -5.632 -0.691 -5.600) 7.972 14.965 ( -1.816 1.883 -9.453) 9.808 15.134 ( -6.286 -3.106 -1.574) 7.186 15.242 ( -12.866 2.909 -7.634) 15.241 15.384 ( -6.876 3.103 5.734) 9.476 15.455 ( -11.833 -1.841 7.061) 13.902 15.584 ( -11.884 0.247 -0.087) 11.887 15.630 ( -1.250 7.149 -10.029) 12.380 15.798 ( -0.160 -2.825 10.850) 11.212 15.957 ( 1.016 -0.463 -3.874) 4.031 16.023 ( -3.913 4.209 5.243) 7.780 16.164 ( -8.684 1.593 -4.277) 9.810 16.223 ( -6.065 -2.122 5.803) 8.658 16.417 ( -16.311 0.599 -6.013) 17.394 16.764 ( 5.054 3.465 3.273) 6.947 16.923 ( -3.703 2.601 -8.726) 9.830 17.134 ( -6.172 -3.061 4.600) 8.283 17.190 ( -6.549 -0.727 -0.018) 6.589 17.483 ( 3.597 1.965 8.372) 9.322 17.593 ( -5.719 -1.894 7.421) 9.559 17.735 ( 0.005 4.933 -12.890) 13.802 17.807 ( -1.554 -1.657 -12.166) 12.376 18.300 ( -11.236 4.740 11.834) 16.992 18.419 ( -2.173 4.106 7.321) 8.670 18.561 ( -9.198 -1.637 -3.162) 9.863 18.669 ( -5.992 -3.845 -6.317) 9.518 20.101 ( 11.931 0.279 -0.650) 11.952 20.151 ( 6.611 0.579 -4.666) 8.112 20.457 ( 9.792 -2.945 11.490) 15.381 20.487 ( 1.709 -1.376 9.146) 9.406 20.678 ( -0.586 -0.523 -9.200) 9.234 20.755 ( 9.999 -1.073 -13.341) 16.707 21.101 ( -1.579 -0.027 9.113) 9.249 21.225 ( 2.025 -0.559 3.203) 3.830 21.334 ( -1.090 3.576 -1.670) 4.095 21.436 ( -0.316 3.284 -5.432) 6.355 21.589 ( -2.480 -3.082 2.295) 4.574 21.617 ( -2.473 -2.472 -0.099) 3.498 ======================= Grid point 147 (59/60) ======================= q-point: ( 0.36 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.450 ( -0.159 13.534 6.272) 14.917 2.600 ( 1.556 9.080 -6.269) 11.143 2.749 ( -6.259 -14.383 1.337) 15.743 2.829 ( -4.418 -12.727 -5.556) 14.572 3.146 ( -1.873 10.096 10.884) 14.963 3.356 ( -6.500 -7.615 10.309) 14.371 3.424 ( -4.500 6.716 -13.181) 15.463 3.513 ( 0.481 2.728 -2.416) 3.676 3.665 ( 1.675 3.907 3.494) 5.503 3.696 ( -1.742 -0.072 4.157) 4.508 3.797 ( -3.223 -2.952 -7.685) 8.841 3.849 ( -0.662 -4.838 -8.064) 9.428 4.065 ( -6.535 1.552 9.957) 12.011 4.143 ( -5.309 7.158 3.503) 9.576 4.284 ( -3.899 0.493 6.668) 7.740 4.379 ( -2.516 -2.032 6.039) 6.850 4.452 ( 5.807 0.730 -13.050) 14.302 4.579 ( 0.980 -8.144 -8.971) 12.156 4.613 ( -3.015 -11.071 -4.351) 12.271 4.719 ( 9.009 -14.816 -10.151) 20.093 5.169 ( -11.205 4.860 16.632) 20.635 5.347 ( -8.693 -6.631 12.739) 16.788 5.441 ( -6.008 7.584 -7.665) 12.344 5.563 ( -1.565 -1.735 -6.432) 6.843 5.759 ( 0.655 6.195 8.789) 10.773 5.825 ( 1.868 4.449 1.754) 5.134 5.905 ( -0.135 1.060 -4.876) 4.991 5.998 ( -0.070 -3.071 -4.576) 5.511 6.167 ( 2.205 2.174 5.591) 6.391 6.261 ( -1.208 5.291 -1.106) 5.539 6.314 ( -1.939 -1.057 1.581) 2.716 6.416 ( -4.795 1.781 -3.908) 6.437 6.652 ( -0.372 -3.503 8.358) 9.070 6.688 ( -0.242 6.617 -0.271) 6.627 6.803 ( -1.363 -0.337 -3.057) 3.364 6.902 ( -3.937 -7.038 -3.744) 8.891 7.020 ( -1.651 1.814 1.011) 2.653 7.067 ( -1.519 0.968 10.366) 10.521 7.146 ( 2.872 1.718 -9.900) 10.450 7.294 ( 0.530 -0.366 -8.491) 8.516 7.486 ( 1.498 1.427 0.508) 2.131 7.516 ( -3.539 2.953 -1.790) 4.945 7.601 ( -4.245 -2.271 2.153) 5.273 7.614 ( -1.904 -3.248 1.618) 4.098 8.107 ( 7.762 1.171 -2.936) 8.381 8.187 ( 10.367 0.355 -8.169) 13.204 8.524 ( 6.948 3.095 8.091) 11.106 8.560 ( 3.752 1.950 4.331) 6.053 8.686 ( 1.910 3.763 10.062) 10.911 8.707 ( 2.485 0.748 7.448) 7.887 8.852 ( -4.440 -1.597 -1.117) 4.849 8.881 ( 1.972 0.071 -4.719) 5.115 9.142 ( 13.662 1.029 -6.373) 15.111 9.269 ( 2.249 2.447 -11.456) 11.928 9.525 ( -1.085 0.436 7.110) 7.205 9.696 ( -0.698 1.228 -7.730) 7.858 9.978 ( 4.734 4.342 13.942) 15.351 10.212 ( 1.960 4.002 3.254) 5.518 10.295 ( 2.521 -0.860 -3.778) 4.622 10.428 ( 0.725 -2.753 -6.201) 6.823 13.605 ( 4.318 5.082 5.302) 8.519 13.706 ( 2.723 1.047 3.426) 4.499 13.734 ( 4.697 -0.927 -0.741) 4.844 13.846 ( -0.384 1.862 -1.631) 2.505 14.030 ( -1.937 -2.818 -1.590) 3.771 14.117 ( -1.689 -2.076 -9.451) 9.823 14.232 ( -6.257 -0.042 5.049) 8.040 14.336 ( -3.591 0.538 -4.612) 5.870 14.550 ( -2.477 -0.030 3.967) 4.676 14.656 ( -7.170 -0.658 -5.826) 9.262 14.777 ( 4.398 -4.831 9.512) 11.539 14.962 ( 0.982 4.825 -3.841) 6.245 15.055 ( -2.625 -1.555 -3.433) 4.593 15.098 ( -14.037 -1.755 7.787) 16.148 15.120 ( -4.656 -2.613 -4.999) 7.314 15.217 ( -12.709 -2.366 -1.508) 13.015 15.429 ( -5.079 2.297 5.650) 7.937 15.600 ( -1.716 5.943 -8.131) 10.217 15.742 ( -6.981 1.246 10.271) 12.481 15.928 ( -7.423 6.309 -6.227) 11.562 15.972 ( -1.937 2.076 4.587) 5.394 16.049 ( -3.806 -3.982 -1.621) 5.741 16.085 ( -4.818 -1.438 0.625) 5.067 16.114 ( -8.853 -6.645 -0.952) 11.110 16.885 ( 5.795 5.077 1.995) 7.958 16.975 ( 4.259 4.747 -4.786) 7.974 17.048 ( -2.006 -1.496 1.541) 2.939 17.088 ( -3.670 0.735 -1.489) 4.028 17.472 ( -1.825 1.836 5.317) 5.914 17.598 ( 2.102 0.585 10.418) 10.644 17.631 ( -4.343 2.456 -9.704) 10.912 17.858 ( -0.078 2.241 -13.639) 13.822 18.125 ( -5.403 4.523 11.433) 13.430 18.317 ( -4.866 7.494 -4.649) 10.072 18.418 ( -7.179 -1.189 5.954) 9.402 18.534 ( -7.302 -2.029 -3.243) 8.243 20.283 ( 6.703 -1.495 -0.693) 6.903 20.319 ( 10.189 -0.990 -4.071) 11.017 20.477 ( -0.223 -2.540 6.570) 7.047 20.612 ( 1.376 -1.305 -2.341) 3.013 20.730 ( 7.487 -1.229 4.538) 8.841 20.929 ( 8.141 -0.673 -10.448) 13.262 21.063 ( -2.495 -0.108 9.282) 9.612 21.232 ( -1.467 0.665 -5.132) 5.379 21.328 ( 0.859 0.946 4.043) 4.240 21.428 ( -0.347 2.178 -3.559) 4.187 21.526 ( -3.845 -3.108 2.007) 5.336 21.555 ( -3.674 -2.236 -0.385) 4.318 ======================= Grid point 148 (60/60) ======================= q-point: ( 0.45 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.494 ( 4.682 1.030 6.104) 7.762 2.614 ( -6.807 -9.800 4.389) 12.714 2.652 ( 3.274 0.607 -8.009) 8.673 2.742 ( -5.038 -6.160 -6.987) 10.590 3.157 ( 3.448 0.716 9.770) 10.385 3.253 ( -5.171 -6.010 10.729) 13.340 3.392 ( 2.077 -0.252 -11.186) 11.380 3.470 ( -4.471 -1.923 -7.631) 9.051 3.636 ( -1.376 0.306 2.461) 2.836 3.658 ( -2.935 3.446 4.349) 6.277 3.765 ( 0.494 0.639 -7.942) 7.983 3.807 ( -3.364 2.794 -9.447) 10.410 4.070 ( 5.218 -0.508 5.583) 7.658 4.092 ( 1.748 0.834 4.208) 4.632 4.179 ( -5.870 -6.813 5.458) 10.519 4.231 ( -8.716 -5.111 2.622) 10.439 4.578 ( 6.011 0.151 1.078) 6.109 4.659 ( 2.042 -2.267 5.956) 6.692 4.746 ( 12.584 4.790 -9.621) 16.548 4.892 ( 2.561 -5.041 -10.720) 12.120 5.009 ( -1.461 -1.060 12.701) 12.828 5.139 ( -11.475 -6.282 12.210) 17.895 5.313 ( -2.029 1.918 -14.136) 14.409 5.432 ( -10.006 -6.847 -14.084) 18.584 5.814 ( 3.145 2.774 8.405) 9.393 5.845 ( -0.033 1.449 4.651) 4.872 5.919 ( 2.225 0.601 -3.219) 3.960 5.981 ( -2.969 -0.118 -4.685) 5.548 6.196 ( 0.737 3.833 7.747) 8.674 6.211 ( -0.823 3.684 9.264) 10.004 6.331 ( 0.770 2.952 -2.846) 4.172 6.351 ( -1.826 2.472 -3.949) 5.004 6.663 ( 0.800 -1.128 4.722) 4.920 6.674 ( -0.510 4.178 3.386) 5.402 6.789 ( 0.698 -1.330 -4.069) 4.337 6.837 ( -3.257 -4.803 -4.687) 7.459 7.019 ( 1.102 1.139 5.153) 5.392 7.043 ( -1.152 0.884 8.741) 8.861 7.217 ( 4.000 1.351 -11.557) 12.304 7.282 ( -2.226 0.024 -11.120) 11.341 7.473 ( 0.032 2.557 1.526) 2.978 7.514 ( 0.232 0.792 -0.487) 0.958 7.518 ( -2.243 -0.084 1.382) 2.636 7.564 ( -2.906 -1.529 -0.988) 3.429 8.264 ( 8.688 1.238 2.294) 9.071 8.405 ( 11.410 1.188 -8.996) 14.578 8.435 ( -8.258 1.836 6.082) 10.419 8.595 ( -6.240 2.782 -6.309) 9.300 8.734 ( 2.449 2.572 10.482) 11.067 8.772 ( -2.183 -0.145 8.135) 8.424 8.809 ( 6.388 0.758 5.446) 8.428 8.889 ( -1.650 0.706 -1.041) 2.074 9.336 ( 6.159 1.395 -3.092) 7.031 9.410 ( 10.364 2.085 -9.271) 14.061 9.458 ( -4.090 0.020 1.261) 4.280 9.609 ( -7.781 1.208 -10.893) 13.441 10.096 ( 6.287 2.276 15.014) 16.435 10.193 ( -3.429 1.071 12.700) 13.198 10.364 ( 3.785 2.593 -9.528) 10.575 10.419 ( -1.687 0.641 -7.864) 8.069 13.677 ( 3.193 4.959 6.197) 8.555 13.724 ( -1.254 3.189 6.827) 7.639 13.802 ( 2.856 2.773 -4.328) 5.880 13.839 ( -0.552 0.956 -2.976) 3.174 14.001 ( 0.870 -3.565 2.933) 4.698 14.078 ( -6.531 -2.071 5.066) 8.521 14.151 ( 2.781 -4.522 -10.171) 11.472 14.238 ( -5.767 -1.978 -8.740) 10.656 14.605 ( 3.112 -0.600 -0.252) 3.179 14.631 ( 9.289 -1.319 -2.148) 9.625 14.765 ( -11.886 -1.778 4.989) 13.013 14.862 ( -13.114 -1.446 -3.750) 13.716 14.921 ( 6.418 -1.689 9.325) 11.446 15.037 ( -3.177 -0.839 2.645) 4.218 15.079 ( 2.491 -0.613 -2.138) 3.339 15.136 ( -0.442 -2.702 -9.070) 9.474 15.384 ( 2.401 2.818 11.011) 11.616 15.526 ( -9.377 4.367 8.210) 13.206 15.616 ( 0.327 1.888 -8.766) 8.973 15.718 ( -9.713 4.094 -7.704) 13.056 15.962 ( 0.545 -1.528 5.475) 5.710 15.986 ( -2.057 -2.588 4.041) 5.221 16.060 ( 0.313 -2.003 -3.014) 3.633 16.067 ( -0.402 -3.034 -3.539) 4.679 16.972 ( 3.061 4.167 2.913) 5.935 17.005 ( -0.399 2.287 2.089) 3.123 17.040 ( 0.113 2.246 -1.902) 2.946 17.048 ( -0.908 1.192 -1.071) 1.842 17.490 ( 3.056 2.828 3.695) 5.567 17.569 ( -4.252 2.727 7.026) 8.654 17.633 ( 4.752 3.102 -9.827) 11.348 17.769 ( -7.685 3.112 -11.639) 14.290 18.125 ( 4.759 3.402 10.841) 12.319 18.258 ( -7.576 2.483 9.053) 12.063 18.312 ( 2.458 3.686 -6.299) 7.701 18.404 ( -6.077 0.787 -4.384) 7.534 20.394 ( 4.550 -2.275 2.547) 5.689 20.453 ( -0.947 -1.730 4.323) 4.751 20.490 ( 5.864 -2.354 -5.522) 8.391 20.584 ( -3.325 -1.621 -6.846) 7.781 20.883 ( 7.195 -0.633 8.736) 11.336 20.996 ( -4.614 -0.208 9.016) 10.130 21.069 ( 6.384 -0.125 -8.499) 10.630 21.173 ( -4.412 0.745 -7.550) 8.776 21.368 ( 3.020 -1.011 4.445) 5.468 21.425 ( -1.157 0.564 1.591) 2.046 21.458 ( -1.674 -2.594 -0.983) 3.240 21.487 ( -3.071 -1.471 -1.286) 3.640 =================== 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 3/32076 10.0 829.714 1941.578 891.983 0.000 0.000 0.000 3/32076 20.0 1033.282 1352.020 1016.950 0.000 0.000 0.000 3/32076 30.0 557.754 647.357 496.078 0.000 0.000 0.000 3/32076 40.0 312.136 364.436 268.107 0.000 0.000 0.000 3/32076 50.0 198.462 236.405 168.100 0.000 0.000 0.000 3/32076 60.0 139.901 169.908 117.980 0.000 0.000 0.000 3/32076 70.0 106.152 130.977 89.636 0.000 0.000 0.000 3/32076 80.0 84.794 105.882 71.885 0.000 0.000 0.000 3/32076 90.0 70.226 88.453 59.817 0.000 0.000 0.000 3/32076 100.0 59.690 75.642 51.072 0.000 0.000 0.000 3/32076 110.0 51.720 65.818 44.425 0.000 0.000 0.000 3/32076 120.0 45.484 58.042 39.193 0.000 0.000 0.000 3/32076 130.0 40.477 51.741 34.966 0.000 0.000 0.000 3/32076 140.0 36.376 46.541 31.484 0.000 0.000 0.000 3/32076 150.0 32.965 42.190 28.573 0.000 0.000 0.000 3/32076 160.0 30.091 38.506 26.108 0.000 0.000 0.000 3/32076 170.0 27.644 35.357 24.002 0.000 0.000 0.000 3/32076 180.0 25.539 32.642 22.185 0.000 0.000 0.000 3/32076 190.0 23.715 30.284 20.607 0.000 0.000 0.000 3/32076 200.0 22.123 28.221 19.225 0.000 0.000 0.000 3/32076 210.0 20.722 26.406 18.008 0.000 0.000 0.000 3/32076 220.0 19.483 24.800 16.930 0.000 0.000 0.000 3/32076 230.0 18.381 23.370 15.970 0.000 0.000 0.000 3/32076 240.0 17.394 22.090 15.110 0.000 0.000 0.000 3/32076 250.0 16.508 20.940 14.336 0.000 0.000 0.000 3/32076 260.0 15.706 19.902 13.637 0.000 0.000 0.000 3/32076 270.0 14.980 18.961 13.002 0.000 0.000 0.000 3/32076 280.0 14.317 18.104 12.424 0.000 0.000 0.000 3/32076 290.0 13.712 17.321 11.895 0.000 0.000 0.000 3/32076 300.0 13.156 16.603 11.410 0.000 0.000 0.000 3/32076 310.0 12.645 15.943 10.963 0.000 0.000 0.000 3/32076 320.0 12.172 15.334 10.551 0.000 0.000 0.000 3/32076 330.0 11.735 14.770 10.169 0.000 0.000 0.000 3/32076 340.0 11.328 14.247 9.814 0.000 0.000 0.000 3/32076 350.0 10.949 13.761 9.484 0.000 0.000 0.000 3/32076 360.0 10.596 13.307 9.175 0.000 0.000 0.000 3/32076 370.0 10.265 12.883 8.887 0.000 0.000 0.000 3/32076 380.0 9.955 12.486 8.616 0.000 0.000 0.000 3/32076 390.0 9.664 12.113 8.362 0.000 0.000 0.000 3/32076 400.0 9.390 11.762 8.123 0.000 0.000 0.000 3/32076 410.0 9.131 11.432 7.898 0.000 0.000 0.000 3/32076 420.0 8.887 11.120 7.685 0.000 0.000 0.000 3/32076 430.0 8.655 10.825 7.484 0.000 0.000 0.000 3/32076 440.0 8.436 10.546 7.293 0.000 0.000 0.000 3/32076 450.0 8.228 10.282 7.112 0.000 0.000 0.000 3/32076 460.0 8.031 10.030 6.940 0.000 0.000 0.000 3/32076 470.0 7.843 9.792 6.777 0.000 0.000 0.000 3/32076 480.0 7.664 9.564 6.621 0.000 0.000 0.000 3/32076 490.0 7.493 9.347 6.473 0.000 0.000 0.000 3/32076 500.0 7.329 9.141 6.331 0.000 0.000 0.000 3/32076 510.0 7.173 8.943 6.195 0.000 0.000 0.000 3/32076 520.0 7.024 8.754 6.065 0.000 0.000 0.000 3/32076 530.0 6.881 8.573 5.941 0.000 0.000 0.000 3/32076 540.0 6.744 8.400 5.822 0.000 0.000 0.000 3/32076 550.0 6.612 8.233 5.708 0.000 0.000 0.000 3/32076 560.0 6.485 8.074 5.598 0.000 0.000 0.000 3/32076 570.0 6.364 7.920 5.492 0.000 0.000 0.000 3/32076 580.0 6.247 7.773 5.391 0.000 0.000 0.000 3/32076 590.0 6.134 7.631 5.293 0.000 0.000 0.000 3/32076 600.0 6.025 7.494 5.199 0.000 0.000 0.000 3/32076 610.0 5.921 7.362 5.108 0.000 0.000 0.000 3/32076 620.0 5.820 7.235 5.021 0.000 0.000 0.000 3/32076 630.0 5.722 7.112 4.936 0.000 0.000 0.000 3/32076 640.0 5.628 6.994 4.855 0.000 0.000 0.000 3/32076 650.0 5.536 6.879 4.776 0.000 0.000 0.000 3/32076 660.0 5.448 6.769 4.699 0.000 0.000 0.000 3/32076 670.0 5.363 6.661 4.625 0.000 0.000 0.000 3/32076 680.0 5.280 6.558 4.554 0.000 0.000 0.000 3/32076 690.0 5.200 6.457 4.484 0.000 0.000 0.000 3/32076 700.0 5.123 6.360 4.417 0.000 0.000 0.000 3/32076 710.0 5.047 6.266 4.352 0.000 0.000 0.000 3/32076 720.0 4.974 6.174 4.289 0.000 0.000 0.000 3/32076 730.0 4.903 6.085 4.228 0.000 0.000 0.000 3/32076 740.0 4.834 5.999 4.168 0.000 0.000 0.000 3/32076 750.0 4.767 5.915 4.110 0.000 0.000 0.000 3/32076 760.0 4.702 5.834 4.054 0.000 0.000 0.000 3/32076 770.0 4.639 5.755 3.999 0.000 0.000 0.000 3/32076 780.0 4.577 5.677 3.946 0.000 0.000 0.000 3/32076 790.0 4.517 5.603 3.894 0.000 0.000 0.000 3/32076 800.0 4.459 5.530 3.843 0.000 0.000 0.000 3/32076 810.0 4.402 5.459 3.794 0.000 0.000 0.000 3/32076 820.0 4.347 5.389 3.746 0.000 0.000 0.000 3/32076 830.0 4.293 5.322 3.700 0.000 0.000 0.000 3/32076 840.0 4.240 5.256 3.654 0.000 0.000 0.000 3/32076 850.0 4.189 5.192 3.610 0.000 0.000 0.000 3/32076 860.0 4.138 5.130 3.567 0.000 0.000 0.000 3/32076 870.0 4.090 5.069 3.524 0.000 0.000 0.000 3/32076 880.0 4.042 5.009 3.483 0.000 0.000 0.000 3/32076 890.0 3.995 4.951 3.443 0.000 0.000 0.000 3/32076 900.0 3.950 4.894 3.403 0.000 0.000 0.000 3/32076 910.0 3.905 4.839 3.365 0.000 0.000 0.000 3/32076 920.0 3.862 4.784 3.327 0.000 0.000 0.000 3/32076 930.0 3.819 4.731 3.291 0.000 0.000 0.000 3/32076 940.0 3.777 4.680 3.255 0.000 0.000 0.000 3/32076 950.0 3.737 4.629 3.220 0.000 0.000 0.000 3/32076 960.0 3.697 4.579 3.185 0.000 0.000 0.000 3/32076 970.0 3.658 4.531 3.152 0.000 0.000 0.000 3/32076 980.0 3.620 4.483 3.119 0.000 0.000 0.000 3/32076 990.0 3.583 4.437 3.087 0.000 0.000 0.000 3/32076 1000.0 3.546 4.391 3.055 0.000 0.000 0.000 3/32076 Thermal conductivity related properties were written into "kappa-m1193.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:18:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|