# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/d9b905cf-1b91-4ae1-9dd8-c1b7d88f5a83/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Na3AlSe3 / P2_1/c (14) / materials id 9682](https://mdr.nims.go.jp/datasets/2f16cf07-a601-4d01-a95c-ef68e4e4db32) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-07 23:27:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 16------------------------------ primitive cell ------------------------------Lattice vectors: a 7.435304882222583 0.000000000000000 0.000000000000000 b 0.000000000000000 7.171000820000000 0.000000000000000 c -7.320828500566352 0.000000000000000 13.141557055518733Atomic positions (fractional): *1 Na 0.44053325069911 0.47494289706654 0.21527713202974 22.990 2 Na 0.55946674930089 0.97494289706654 0.28472286797026 22.990 3 Na 0.55946674930089 0.52505710293346 0.78472286797026 22.990 4 Na 0.44053325069911 0.02505710293346 0.71527713202974 22.990 *5 Na 0.22823845102194 0.50542252472347 0.38958206289302 22.990 6 Na 0.77176154897806 0.00542252472347 0.11041793710698 22.990 7 Na 0.77176154897806 0.49457747527653 0.61041793710698 22.990 8 Na 0.22823845102194 0.99457747527653 0.88958206289302 22.990 *9 Na 0.81168003799062 0.50599092181099 0.09967052300147 22.990 10 Na 0.18831996200938 0.00599092181099 0.40032947699853 22.990 11 Na 0.18831996200938 0.49400907818901 0.90032947699853 22.990 12 Na 0.81168003799062 0.99400907818901 0.59967052300147 22.990 *13 Al 0.16292537095581 0.86035067193170 0.08051927200531 26.982 14 Al 0.83707462904419 0.36035067193170 0.41948072799469 26.982 15 Al 0.83707462904419 0.13964932806830 0.91948072799469 26.982 16 Al 0.16292537095581 0.63964932806830 0.58051927200531 26.982 *17 Se 0.84543934457252 0.70103622530675 0.42770672058413 78.960 18 Se 0.15456065542748 0.20103622530675 0.07229327941587 78.960 19 Se 0.15456065542748 0.29896377469325 0.57229327941587 78.960 20 Se 0.84543934457252 0.79896377469325 0.92770672058413 78.960 *21 Se 0.84485758772644 0.26286043750396 0.27184463499737 78.960 22 Se 0.15514241227356 0.76286043750396 0.22815536500263 78.960 23 Se 0.15514241227356 0.73713956249604 0.72815536500263 78.960 24 Se 0.84485758772644 0.23713956249604 0.77184463499737 78.960 *25 Se 0.45057986543319 0.74377224235097 0.07266104587207 78.960 26 Se 0.54942013456681 0.24377224235097 0.42733895412793 78.960 27 Se 0.54942013456681 0.25622775764903 0.92733895412793 78.960 28 Se 0.45057986543319 0.75622775764903 0.57266104587207 78.960-------------------------------- unit cell ---------------------------------Lattice vectors: a 7.435304882222583 0.000000000000000 0.000000000000000 b 0.000000000000000 7.171000820000000 0.000000000000000 c -7.320828500566352 0.000000000000000 13.141557055518733Atomic positions (fractional): *1 Na 0.44053325069911 0.47494289706654 0.21527713202974 22.990 > 1 2 Na 0.55946674930089 0.97494289706654 0.28472286797026 22.990 > 2 3 Na 0.55946674930089 0.52505710293346 0.78472286797026 22.990 > 3 4 Na 0.44053325069911 0.02505710293346 0.71527713202974 22.990 > 4 *5 Na 0.22823845102194 0.50542252472347 0.38958206289302 22.990 > 5 6 Na 0.77176154897806 0.00542252472347 0.11041793710698 22.990 > 6 7 Na 0.77176154897806 0.49457747527653 0.61041793710698 22.990 > 7 8 Na 0.22823845102194 0.99457747527653 0.88958206289302 22.990 > 8 *9 Na 0.81168003799062 0.50599092181099 0.09967052300147 22.990 > 9 10 Na 0.18831996200938 0.00599092181099 0.40032947699853 22.990 > 10 11 Na 0.18831996200938 0.49400907818901 0.90032947699853 22.990 > 11 12 Na 0.81168003799062 0.99400907818901 0.59967052300147 22.990 > 12 *13 Al 0.16292537095581 0.86035067193170 0.08051927200531 26.982 > 13 14 Al 0.83707462904419 0.36035067193170 0.41948072799469 26.982 > 14 15 Al 0.83707462904419 0.13964932806830 0.91948072799469 26.982 > 15 16 Al 0.16292537095581 0.63964932806830 0.58051927200531 26.982 > 16 *17 Se 0.84543934457252 0.70103622530675 0.42770672058413 78.960 > 17 18 Se 0.15456065542748 0.20103622530675 0.07229327941587 78.960 > 18 19 Se 0.15456065542748 0.29896377469325 0.57229327941587 78.960 > 19 20 Se 0.84543934457252 0.79896377469325 0.92770672058413 78.960 > 20 *21 Se 0.84485758772644 0.26286043750396 0.27184463499737 78.960 > 21 22 Se 0.15514241227356 0.76286043750396 0.22815536500263 78.960 > 22 23 Se 0.15514241227356 0.73713956249604 0.72815536500263 78.960 > 23 24 Se 0.84485758772644 0.23713956249604 0.77184463499737 78.960 > 24 *25 Se 0.45057986543319 0.74377224235097 0.07266104587207 78.960 > 25 26 Se 0.54942013456681 0.24377224235097 0.42733895412793 78.960 > 26 27 Se 0.54942013456681 0.25622775764903 0.92733895412793 78.960 > 27 28 Se 0.45057986543319 0.75622775764903 0.57266104587207 78.960 > 28-------------------------------- super cell --------------------------------Lattice vectors: a 14.870609764445167 0.000000000000000 0.000000000000000 b 0.000000000000000 14.342001639999999 0.000000000000000 c -7.320828500566352 0.000000000000000 13.141557055518733Atomic positions (fractional): *1 Na 0.22026662534955 0.23747144853327 0.21527713202974 22.990 > 1 2 Na 0.72026662534955 0.23747144853327 0.21527713202974 22.990 > 1 3 Na 0.22026662534955 0.73747144853327 0.21527713202974 22.990 > 1 4 Na 0.72026662534955 0.73747144853327 0.21527713202974 22.990 > 1 5 Na 0.27973337465045 0.48747144853327 0.28472286797026 22.990 > 2 6 Na 0.77973337465045 0.48747144853327 0.28472286797026 22.990 > 2 7 Na 0.27973337465045 0.98747144853327 0.28472286797026 22.990 > 2 8 Na 0.77973337465045 0.98747144853327 0.28472286797026 22.990 > 2 9 Na 0.27973337465045 0.26252855146673 0.78472286797026 22.990 > 3 10 Na 0.77973337465045 0.26252855146673 0.78472286797026 22.990 > 3 11 Na 0.27973337465045 0.76252855146673 0.78472286797026 22.990 > 3 12 Na 0.77973337465045 0.76252855146673 0.78472286797026 22.990 > 3 13 Na 0.22026662534955 0.01252855146673 0.71527713202974 22.990 > 4 14 Na 0.72026662534955 0.01252855146673 0.71527713202974 22.990 > 4 15 Na 0.22026662534955 0.51252855146673 0.71527713202974 22.990 > 4 16 Na 0.72026662534955 0.51252855146673 0.71527713202974 22.990 > 4 *17 Na 0.11411922551097 0.25271126236174 0.38958206289302 22.990 > 5 18 Na 0.61411922551097 0.25271126236174 0.38958206289302 22.990 > 5 19 Na 0.11411922551097 0.75271126236174 0.38958206289302 22.990 > 5 20 Na 0.61411922551097 0.75271126236174 0.38958206289302 22.990 > 5 21 Na 0.38588077448903 0.00271126236173 0.11041793710698 22.990 > 6 22 Na 0.88588077448903 0.00271126236173 0.11041793710698 22.990 > 6 23 Na 0.38588077448903 0.50271126236174 0.11041793710698 22.990 > 6 24 Na 0.88588077448903 0.50271126236174 0.11041793710698 22.990 > 6 25 Na 0.38588077448903 0.24728873763827 0.61041793710698 22.990 > 7 26 Na 0.88588077448903 0.24728873763827 0.61041793710698 22.990 > 7 27 Na 0.38588077448903 0.74728873763826 0.61041793710698 22.990 > 7 28 Na 0.88588077448903 0.74728873763826 0.61041793710698 22.990 > 7 29 Na 0.11411922551097 0.49728873763826 0.88958206289302 22.990 > 8 30 Na 0.61411922551097 0.49728873763826 0.88958206289302 22.990 > 8 31 Na 0.11411922551097 0.99728873763826 0.88958206289302 22.990 > 8 32 Na 0.61411922551097 0.99728873763826 0.88958206289302 22.990 > 8 *33 Na 0.40584001899531 0.25299546090549 0.09967052300147 22.990 > 9 34 Na 0.90584001899531 0.25299546090549 0.09967052300147 22.990 > 9 35 Na 0.40584001899531 0.75299546090549 0.09967052300147 22.990 > 9 36 Na 0.90584001899531 0.75299546090549 0.09967052300147 22.990 > 9 37 Na 0.09415998100469 0.00299546090549 0.40032947699853 22.990 > 10 38 Na 0.59415998100469 0.00299546090549 0.40032947699853 22.990 > 10 39 Na 0.09415998100469 0.50299546090549 0.40032947699853 22.990 > 10 40 Na 0.59415998100469 0.50299546090549 0.40032947699853 22.990 > 10 41 Na 0.09415998100469 0.24700453909451 0.90032947699853 22.990 > 11 42 Na 0.59415998100469 0.24700453909451 0.90032947699853 22.990 > 11 43 Na 0.09415998100469 0.74700453909451 0.90032947699853 22.990 > 11 44 Na 0.59415998100469 0.74700453909451 0.90032947699853 22.990 > 11 45 Na 0.40584001899531 0.49700453909451 0.59967052300147 22.990 > 12 46 Na 0.90584001899531 0.49700453909451 0.59967052300147 22.990 > 12 47 Na 0.40584001899531 0.99700453909451 0.59967052300147 22.990 > 12 48 Na 0.90584001899531 0.99700453909451 0.59967052300147 22.990 > 12 *49 Al 0.08146268547791 0.43017533596585 0.08051927200531 26.982 > 13 50 Al 0.58146268547791 0.43017533596585 0.08051927200531 26.982 > 13 51 Al 0.08146268547791 0.93017533596585 0.08051927200531 26.982 > 13 52 Al 0.58146268547791 0.93017533596585 0.08051927200531 26.982 > 13 53 Al 0.41853731452209 0.18017533596585 0.41948072799469 26.982 > 14 54 Al 0.91853731452209 0.18017533596585 0.41948072799469 26.982 > 14 55 Al 0.41853731452209 0.68017533596585 0.41948072799469 26.982 > 14 56 Al 0.91853731452209 0.68017533596585 0.41948072799469 26.982 > 14 57 Al 0.41853731452209 0.06982466403415 0.91948072799469 26.982 > 15 58 Al 0.91853731452209 0.06982466403415 0.91948072799469 26.982 > 15 59 Al 0.41853731452209 0.56982466403415 0.91948072799469 26.982 > 15 60 Al 0.91853731452209 0.56982466403415 0.91948072799469 26.982 > 15 61 Al 0.08146268547791 0.31982466403415 0.58051927200531 26.982 > 16 62 Al 0.58146268547791 0.31982466403415 0.58051927200531 26.982 > 16 63 Al 0.08146268547791 0.81982466403415 0.58051927200531 26.982 > 16 64 Al 0.58146268547791 0.81982466403415 0.58051927200531 26.982 > 16 *65 Se 0.42271967228626 0.35051811265337 0.42770672058413 78.960 > 17 66 Se 0.92271967228626 0.35051811265337 0.42770672058413 78.960 > 17 67 Se 0.42271967228626 0.85051811265337 0.42770672058413 78.960 > 17 68 Se 0.92271967228626 0.85051811265337 0.42770672058413 78.960 > 17 69 Se 0.07728032771374 0.10051811265337 0.07229327941587 78.960 > 18 70 Se 0.57728032771374 0.10051811265337 0.07229327941587 78.960 > 18 71 Se 0.07728032771374 0.60051811265337 0.07229327941587 78.960 > 18 72 Se 0.57728032771374 0.60051811265337 0.07229327941587 78.960 > 18 73 Se 0.07728032771374 0.14948188734663 0.57229327941587 78.960 > 19 74 Se 0.57728032771374 0.14948188734663 0.57229327941587 78.960 > 19 75 Se 0.07728032771374 0.64948188734663 0.57229327941587 78.960 > 19 76 Se 0.57728032771374 0.64948188734663 0.57229327941587 78.960 > 19 77 Se 0.42271967228626 0.39948188734663 0.92770672058413 78.960 > 20 78 Se 0.92271967228626 0.39948188734663 0.92770672058413 78.960 > 20 79 Se 0.42271967228626 0.89948188734663 0.92770672058413 78.960 > 20 80 Se 0.92271967228626 0.89948188734663 0.92770672058413 78.960 > 20 *81 Se 0.42242879386322 0.13143021875198 0.27184463499737 78.960 > 21 82 Se 0.92242879386322 0.13143021875198 0.27184463499737 78.960 > 21 83 Se 0.42242879386322 0.63143021875198 0.27184463499737 78.960 > 21 84 Se 0.92242879386322 0.63143021875198 0.27184463499737 78.960 > 21 85 Se 0.07757120613678 0.38143021875198 0.22815536500263 78.960 > 22 86 Se 0.57757120613678 0.38143021875198 0.22815536500263 78.960 > 22 87 Se 0.07757120613678 0.88143021875198 0.22815536500263 78.960 > 22 88 Se 0.57757120613678 0.88143021875198 0.22815536500263 78.960 > 22 89 Se 0.07757120613678 0.36856978124802 0.72815536500263 78.960 > 23 90 Se 0.57757120613678 0.36856978124802 0.72815536500263 78.960 > 23 91 Se 0.07757120613678 0.86856978124802 0.72815536500263 78.960 > 23 92 Se 0.57757120613678 0.86856978124802 0.72815536500263 78.960 > 23 93 Se 0.42242879386322 0.11856978124802 0.77184463499737 78.960 > 24 94 Se 0.92242879386322 0.11856978124802 0.77184463499737 78.960 > 24 95 Se 0.42242879386322 0.61856978124802 0.77184463499737 78.960 > 24 96 Se 0.92242879386322 0.61856978124802 0.77184463499737 78.960 > 24 *97 Se 0.22528993271659 0.37188612117548 0.07266104587207 78.960 > 25 98 Se 0.72528993271659 0.37188612117548 0.07266104587207 78.960 > 25 99 Se 0.22528993271659 0.87188612117548 0.07266104587207 78.960 > 25 100 Se 0.72528993271659 0.87188612117548 0.07266104587207 78.960 > 25 101 Se 0.27471006728341 0.12188612117548 0.42733895412793 78.960 > 26 102 Se 0.77471006728341 0.12188612117548 0.42733895412793 78.960 > 26 103 Se 0.27471006728341 0.62188612117548 0.42733895412793 78.960 > 26 104 Se 0.77471006728341 0.62188612117548 0.42733895412793 78.960 > 26 105 Se 0.27471006728341 0.12811387882452 0.92733895412793 78.960 > 27 106 Se 0.77471006728341 0.12811387882452 0.92733895412793 78.960 > 27 107 Se 0.27471006728341 0.62811387882452 0.92733895412793 78.960 > 27 108 Se 0.77471006728341 0.62811387882452 0.92733895412793 78.960 > 27 109 Se 0.22528993271659 0.37811387882452 0.57266104587207 78.960 > 28 110 Se 0.72528993271659 0.37811387882452 0.57266104587207 78.960 > 28 111 Se 0.22528993271659 0.87811387882452 0.57266104587207 78.960 > 28 112 Se 0.72528993271659 0.87811387882452 0.57266104587207 78.960 > 28----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.4509624 0.0000000 -0.0228612 0.0000000 4.3574305 0.0000000 -0.0228573 0.0000000 4.4347131-------------------------- Born effective charges -------------------------- 1 Na 0.9719595 -0.0519810 0.2283745 -0.0371899 1.2115886 -0.0400684 0.2274947 -0.0782356 1.2490400 2 Na 0.9719595 0.0519810 0.2283745 0.0371899 1.2115886 0.0400684 0.2274947 0.0782356 1.2490400 3 Na 0.9719595 -0.0519810 0.2283745 -0.0371899 1.2115886 -0.0400684 0.2274947 -0.0782356 1.2490400 4 Na 0.9719595 0.0519810 0.2283745 0.0371899 1.2115886 0.0400684 0.2274947 0.0782356 1.2490400 5 Na 1.2581037 -0.0162503 -0.1052247 0.0531173 0.9587673 -0.0569991 -0.0958347 -0.0892196 1.1454133 6 Na 1.2581037 0.0162503 -0.1052247 -0.0531173 0.9587673 0.0569991 -0.0958347 0.0892196 1.1454133 7 Na 1.2581037 -0.0162503 -0.1052247 0.0531173 0.9587673 -0.0569991 -0.0958347 -0.0892196 1.1454133 8 Na 1.2581037 0.0162503 -0.1052247 -0.0531173 0.9587673 0.0569991 -0.0958347 0.0892196 1.1454133 9 Na 1.2300900 -0.0221999 -0.0920560 -0.0354941 1.3294233 0.0542856 -0.0907562 -0.0492725 1.1205614 10 Na 1.2300900 0.0221999 -0.0920560 0.0354941 1.3294233 -0.0542856 -0.0907562 0.0492725 1.1205614 11 Na 1.2300900 -0.0221999 -0.0920560 -0.0354941 1.3294233 0.0542856 -0.0907562 -0.0492725 1.1205614 12 Na 1.2300900 0.0221999 -0.0920560 0.0354941 1.3294233 -0.0542856 -0.0907562 0.0492725 1.1205614 13 Al 2.1169755 -0.3624799 -0.0150925 -0.3552890 1.7840537 -0.5280446 -0.0321879 -0.5470125 2.1572108 14 Al 2.1169755 0.3624799 -0.0150925 0.3552890 1.7840537 0.5280446 -0.0321879 0.5470125 2.1572108 15 Al 2.1169755 -0.3624799 -0.0150925 -0.3552890 1.7840537 -0.5280446 -0.0321879 -0.5470125 2.1572108 16 Al 2.1169755 0.3624799 -0.0150925 0.3552890 1.7840537 0.5280446 -0.0321879 0.5470125 2.1572108 17 Se -1.3869236 -0.0296740 -0.4321829 -0.0346255 -2.1281184 -0.0186868 -0.4276059 -0.0734309 -1.8606646 18 Se -1.3869236 0.0296740 -0.4321829 0.0346255 -2.1281184 0.0186868 -0.4276059 0.0734309 -1.8606646 19 Se -1.3869236 -0.0296740 -0.4321829 -0.0346255 -2.1281184 -0.0186868 -0.4276059 -0.0734309 -1.8606646 20 Se -1.3869236 0.0296740 -0.4321829 0.0346255 -2.1281184 0.0186868 -0.4276059 0.0734309 -1.8606646 21 Se -1.7615253 0.1006367 0.3505246 0.0594766 -1.5703370 -0.3988765 0.4539007 -0.3625768 -2.2859411 22 Se -1.7615253 -0.1006367 0.3505246 -0.0594766 -1.5703370 0.3988765 0.4539007 0.3625768 -2.2859411 23 Se -1.7615253 0.1006367 0.3505246 0.0594766 -1.5703370 -0.3988765 0.4539007 -0.3625768 -2.2859411 24 Se -1.7615253 -0.1006367 0.3505246 -0.0594766 -1.5703370 0.3988765 0.4539007 0.3625768 -2.2859411 25 Se -2.4286798 0.4049273 0.0656569 0.4081372 -1.5853775 0.0034284 -0.0350106 0.0497539 -1.5256197 26 Se -2.4286798 -0.4049273 0.0656569 -0.4081372 -1.5853775 -0.0034284 -0.0350106 -0.0497539 -1.5256197 27 Se -2.4286798 0.4049273 0.0656569 0.4081372 -1.5853775 0.0034284 -0.0350106 0.0497539 -1.5256197 28 Se -2.4286798 -0.4049273 0.0656569 -0.4081372 -1.5853775 -0.0034284 -0.0350106 -0.0497539 -1.5256197----------------------------------------------------------------------------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: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3654Number of blocks in projector: 3654Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 784 / 784(1) 275 eigenvectors found.(1) Complementary block size: 22(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 270 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 270 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 434Use standard eigh solver.Tree of FC basis block matrices:- (3654, 3592), data: False|-- (434, 427), data: True|-- (434, 427), data: True|-- (434, 427), data: True|-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 880 - Time: 0.923Solver_block: 200 / 880 - Time: 0.793Solver_block: 300 / 880 - Time: 0.790Solver_block: 400 / 880 - Time: 0.799Solver_block: 500 / 880 - Time: 0.784Solver_block: 600 / 880 - Time: 1.092Solver_block: 700 / 880 - Time: 1.251Solver_block: 800 / 880 - Time: 1.099Solver_block: 880 / 880 - Time: 1.271Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.113--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336Permutation basis: 14448/14448Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3654Number of blocks in projector: 3654Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 487 eigenvectors found.(1) Block: 784 / 784(1) 275 eigenvectors found.(1) Complementary block size: 22(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 270 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 784Use submatrix version of eigh solver.(1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 784 / 784(1) 270 eigenvectors found.(1) Complementary block size: 28(1) Compute compressed projector.(1) Use standard solver.(1) 14 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 434Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 434Use standard eigh solver.Tree of FC basis block matrices:- (3654, 3592), data: False|-- (434, 427), data: True|-- (434, 427), data: True|-- (434, 427), data: True|-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True|-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-07 23:28:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:28:16]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal 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: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.435304882222583 0.000000000000000 0.000000000000000 b 0.000000000000000 7.171000820000000 0.000000000000000 c -7.320828500566352 0.000000000000000 13.141557055518733Atomic positions (fractional): 1 Na 0.44053325069911 0.47494289706654 0.21527713202974 22.990 2 Na 0.55946674930089 0.97494289706654 0.28472286797026 22.990 3 Na 0.55946674930089 0.52505710293346 0.78472286797026 22.990 4 Na 0.44053325069911 0.02505710293346 0.71527713202974 22.990 5 Na 0.22823845102194 0.50542252472347 0.38958206289302 22.990 6 Na 0.77176154897806 0.00542252472347 0.11041793710698 22.990 7 Na 0.77176154897806 0.49457747527653 0.61041793710698 22.990 8 Na 0.22823845102194 0.99457747527653 0.88958206289302 22.990 9 Na 0.81168003799062 0.50599092181099 0.09967052300147 22.990 10 Na 0.18831996200938 0.00599092181099 0.40032947699853 22.990 11 Na 0.18831996200938 0.49400907818901 0.90032947699853 22.990 12 Na 0.81168003799062 0.99400907818901 0.59967052300147 22.990 13 Al 0.16292537095581 0.86035067193170 0.08051927200531 26.982 14 Al 0.83707462904419 0.36035067193170 0.41948072799469 26.982 15 Al 0.83707462904419 0.13964932806830 0.91948072799469 26.982 16 Al 0.16292537095581 0.63964932806830 0.58051927200531 26.982 17 Se 0.84543934457252 0.70103622530675 0.42770672058413 78.960 18 Se 0.15456065542748 0.20103622530675 0.07229327941587 78.960 19 Se 0.15456065542748 0.29896377469325 0.57229327941587 78.960 20 Se 0.84543934457252 0.79896377469325 0.92770672058413 78.960 21 Se 0.84485758772644 0.26286043750396 0.27184463499737 78.960 22 Se 0.15514241227356 0.76286043750396 0.22815536500263 78.960 23 Se 0.15514241227356 0.73713956249604 0.72815536500263 78.960 24 Se 0.84485758772644 0.23713956249604 0.77184463499737 78.960 25 Se 0.45057986543319 0.74377224235097 0.07266104587207 78.960 26 Se 0.54942013456681 0.24377224235097 0.42733895412793 78.960 27 Se 0.54942013456681 0.25622775764903 0.92733895412793 78.960 28 Se 0.45057986543319 0.75622775764903 0.57266104587207 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 14.870609764445167 0.000000000000000 0.000000000000000 b 0.000000000000000 14.342001639999999 0.000000000000000 c -7.320828500566352 0.000000000000000 13.141557055518733Atomic positions (fractional): 1 Na 0.22026662534955 0.23747144853327 0.21527713202974 22.990 > 1 2 Na 0.72026662534955 0.23747144853327 0.21527713202974 22.990 > 1 3 Na 0.22026662534955 0.73747144853327 0.21527713202974 22.990 > 1 4 Na 0.72026662534955 0.73747144853327 0.21527713202974 22.990 > 1 5 Na 0.27973337465045 0.48747144853327 0.28472286797026 22.990 > 5 6 Na 0.77973337465045 0.48747144853327 0.28472286797026 22.990 > 5 7 Na 0.27973337465045 0.98747144853327 0.28472286797026 22.990 > 5 8 Na 0.77973337465045 0.98747144853327 0.28472286797026 22.990 > 5 9 Na 0.27973337465045 0.26252855146673 0.78472286797026 22.990 > 9 10 Na 0.77973337465045 0.26252855146673 0.78472286797026 22.990 > 9 11 Na 0.27973337465045 0.76252855146673 0.78472286797026 22.990 > 9 12 Na 0.77973337465045 0.76252855146673 0.78472286797026 22.990 > 9 13 Na 0.22026662534955 0.01252855146673 0.71527713202974 22.990 > 13 14 Na 0.72026662534955 0.01252855146673 0.71527713202974 22.990 > 13 15 Na 0.22026662534955 0.51252855146673 0.71527713202974 22.990 > 13 16 Na 0.72026662534955 0.51252855146673 0.71527713202974 22.990 > 13 17 Na 0.11411922551097 0.25271126236174 0.38958206289302 22.990 > 17 18 Na 0.61411922551097 0.25271126236174 0.38958206289302 22.990 > 17 19 Na 0.11411922551097 0.75271126236174 0.38958206289302 22.990 > 17 20 Na 0.61411922551097 0.75271126236174 0.38958206289302 22.990 > 17 21 Na 0.38588077448903 0.00271126236173 0.11041793710698 22.990 > 21 22 Na 0.88588077448903 0.00271126236173 0.11041793710698 22.990 > 21 23 Na 0.38588077448903 0.50271126236174 0.11041793710698 22.990 > 21 24 Na 0.88588077448903 0.50271126236174 0.11041793710698 22.990 > 21 25 Na 0.38588077448903 0.24728873763827 0.61041793710698 22.990 > 25 26 Na 0.88588077448903 0.24728873763827 0.61041793710698 22.990 > 25 27 Na 0.38588077448903 0.74728873763826 0.61041793710698 22.990 > 25 28 Na 0.88588077448903 0.74728873763826 0.61041793710698 22.990 > 25 29 Na 0.11411922551097 0.49728873763826 0.88958206289302 22.990 > 29 30 Na 0.61411922551097 0.49728873763826 0.88958206289302 22.990 > 29 31 Na 0.11411922551097 0.99728873763826 0.88958206289302 22.990 > 29 32 Na 0.61411922551097 0.99728873763826 0.88958206289302 22.990 > 29 33 Na 0.40584001899531 0.25299546090549 0.09967052300147 22.990 > 33 34 Na 0.90584001899531 0.25299546090549 0.09967052300147 22.990 > 33 35 Na 0.40584001899531 0.75299546090549 0.09967052300147 22.990 > 33 36 Na 0.90584001899531 0.75299546090549 0.09967052300147 22.990 > 33 37 Na 0.09415998100469 0.00299546090549 0.40032947699853 22.990 > 37 38 Na 0.59415998100469 0.00299546090549 0.40032947699853 22.990 > 37 39 Na 0.09415998100469 0.50299546090549 0.40032947699853 22.990 > 37 40 Na 0.59415998100469 0.50299546090549 0.40032947699853 22.990 > 37 41 Na 0.09415998100469 0.24700453909451 0.90032947699853 22.990 > 41 42 Na 0.59415998100469 0.24700453909451 0.90032947699853 22.990 > 41 43 Na 0.09415998100469 0.74700453909451 0.90032947699853 22.990 > 41 44 Na 0.59415998100469 0.74700453909451 0.90032947699853 22.990 > 41 45 Na 0.40584001899531 0.49700453909451 0.59967052300147 22.990 > 45 46 Na 0.90584001899531 0.49700453909451 0.59967052300147 22.990 > 45 47 Na 0.40584001899531 0.99700453909451 0.59967052300147 22.990 > 45 48 Na 0.90584001899531 0.99700453909451 0.59967052300147 22.990 > 45 49 Al 0.08146268547791 0.43017533596585 0.08051927200531 26.982 > 49 50 Al 0.58146268547791 0.43017533596585 0.08051927200531 26.982 > 49 51 Al 0.08146268547791 0.93017533596585 0.08051927200531 26.982 > 49 52 Al 0.58146268547791 0.93017533596585 0.08051927200531 26.982 > 49 53 Al 0.41853731452209 0.18017533596585 0.41948072799469 26.982 > 53 54 Al 0.91853731452209 0.18017533596585 0.41948072799469 26.982 > 53 55 Al 0.41853731452209 0.68017533596585 0.41948072799469 26.982 > 53 56 Al 0.91853731452209 0.68017533596585 0.41948072799469 26.982 > 53 57 Al 0.41853731452209 0.06982466403415 0.91948072799469 26.982 > 57 58 Al 0.91853731452209 0.06982466403415 0.91948072799469 26.982 > 57 59 Al 0.41853731452209 0.56982466403415 0.91948072799469 26.982 > 57 60 Al 0.91853731452209 0.56982466403415 0.91948072799469 26.982 > 57 61 Al 0.08146268547791 0.31982466403415 0.58051927200531 26.982 > 61 62 Al 0.58146268547791 0.31982466403415 0.58051927200531 26.982 > 61 63 Al 0.08146268547791 0.81982466403415 0.58051927200531 26.982 > 61 64 Al 0.58146268547791 0.81982466403415 0.58051927200531 26.982 > 61 65 Se 0.42271967228626 0.35051811265337 0.42770672058413 78.960 > 65 66 Se 0.92271967228626 0.35051811265337 0.42770672058413 78.960 > 65 67 Se 0.42271967228626 0.85051811265337 0.42770672058413 78.960 > 65 68 Se 0.92271967228626 0.85051811265337 0.42770672058413 78.960 > 65 69 Se 0.07728032771374 0.10051811265337 0.07229327941587 78.960 > 69 70 Se 0.57728032771374 0.10051811265337 0.07229327941587 78.960 > 69 71 Se 0.07728032771374 0.60051811265337 0.07229327941587 78.960 > 69 72 Se 0.57728032771374 0.60051811265337 0.07229327941587 78.960 > 69 73 Se 0.07728032771374 0.14948188734663 0.57229327941587 78.960 > 73 74 Se 0.57728032771374 0.14948188734663 0.57229327941587 78.960 > 73 75 Se 0.07728032771374 0.64948188734663 0.57229327941587 78.960 > 73 76 Se 0.57728032771374 0.64948188734663 0.57229327941587 78.960 > 73 77 Se 0.42271967228626 0.39948188734663 0.92770672058413 78.960 > 77 78 Se 0.92271967228626 0.39948188734663 0.92770672058413 78.960 > 77 79 Se 0.42271967228626 0.89948188734663 0.92770672058413 78.960 > 77 80 Se 0.92271967228626 0.89948188734663 0.92770672058413 78.960 > 77 81 Se 0.42242879386322 0.13143021875198 0.27184463499737 78.960 > 81 82 Se 0.92242879386322 0.13143021875198 0.27184463499737 78.960 > 81 83 Se 0.42242879386322 0.63143021875198 0.27184463499737 78.960 > 81 84 Se 0.92242879386322 0.63143021875198 0.27184463499737 78.960 > 81 85 Se 0.07757120613678 0.38143021875198 0.22815536500263 78.960 > 85 86 Se 0.57757120613678 0.38143021875198 0.22815536500263 78.960 > 85 87 Se 0.07757120613678 0.88143021875198 0.22815536500263 78.960 > 85 88 Se 0.57757120613678 0.88143021875198 0.22815536500263 78.960 > 85 89 Se 0.07757120613678 0.36856978124802 0.72815536500263 78.960 > 89 90 Se 0.57757120613678 0.36856978124802 0.72815536500263 78.960 > 89 91 Se 0.07757120613678 0.86856978124802 0.72815536500263 78.960 > 89 92 Se 0.57757120613678 0.86856978124802 0.72815536500263 78.960 > 89 93 Se 0.42242879386322 0.11856978124802 0.77184463499737 78.960 > 93 94 Se 0.92242879386322 0.11856978124802 0.77184463499737 78.960 > 93 95 Se 0.42242879386322 0.61856978124802 0.77184463499737 78.960 > 93 96 Se 0.92242879386322 0.61856978124802 0.77184463499737 78.960 > 93 97 Se 0.22528993271659 0.37188612117548 0.07266104587207 78.960 > 97 98 Se 0.72528993271659 0.37188612117548 0.07266104587207 78.960 > 97 99 Se 0.22528993271659 0.87188612117548 0.07266104587207 78.960 > 97 100 Se 0.72528993271659 0.87188612117548 0.07266104587207 78.960 > 97 101 Se 0.27471006728341 0.12188612117548 0.42733895412793 78.960 > 101 102 Se 0.77471006728341 0.12188612117548 0.42733895412793 78.960 > 101 103 Se 0.27471006728341 0.62188612117548 0.42733895412793 78.960 > 101 104 Se 0.77471006728341 0.62188612117548 0.42733895412793 78.960 > 101 105 Se 0.27471006728341 0.12811387882452 0.92733895412793 78.960 > 105 106 Se 0.77471006728341 0.12811387882452 0.92733895412793 78.960 > 105 107 Se 0.27471006728341 0.62811387882452 0.92733895412793 78.960 > 105 108 Se 0.77471006728341 0.62811387882452 0.92733895412793 78.960 > 105 109 Se 0.22528993271659 0.37811387882452 0.57266104587207 78.960 > 109 110 Se 0.72528993271659 0.37811387882452 0.57266104587207 78.960 > 109 111 Se 0.22528993271659 0.87811387882452 0.57266104587207 78.960 > 109 112 Se 0.72528993271659 0.87811387882452 0.57266104587207 78.960 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 4.4509624 0.0000000 -0.0228612 0.0000000 4.3574305 0.0000000 -0.0228573 0.0000000 4.4347131-------------------------- Born effective charges -------------------------- 1 Na 0.9719595 -0.0519810 0.2283745 -0.0371899 1.2115886 -0.0400684 0.2274947 -0.0782356 1.2490400 2 Na 0.9719595 0.0519810 0.2283745 0.0371899 1.2115886 0.0400684 0.2274947 0.0782356 1.2490400 3 Na 0.9719595 -0.0519810 0.2283745 -0.0371899 1.2115886 -0.0400684 0.2274947 -0.0782356 1.2490400 4 Na 0.9719595 0.0519810 0.2283745 0.0371899 1.2115886 0.0400684 0.2274947 0.0782356 1.2490400 5 Na 1.2581037 -0.0162503 -0.1052247 0.0531173 0.9587673 -0.0569991 -0.0958347 -0.0892196 1.1454133 6 Na 1.2581037 0.0162503 -0.1052247 -0.0531173 0.9587673 0.0569991 -0.0958347 0.0892196 1.1454133 7 Na 1.2581037 -0.0162503 -0.1052247 0.0531173 0.9587673 -0.0569991 -0.0958347 -0.0892196 1.1454133 8 Na 1.2581037 0.0162503 -0.1052247 -0.0531173 0.9587673 0.0569991 -0.0958347 0.0892196 1.1454133 9 Na 1.2300900 -0.0221999 -0.0920560 -0.0354941 1.3294233 0.0542856 -0.0907562 -0.0492725 1.1205614 10 Na 1.2300900 0.0221999 -0.0920560 0.0354941 1.3294233 -0.0542856 -0.0907562 0.0492725 1.1205614 11 Na 1.2300900 -0.0221999 -0.0920560 -0.0354941 1.3294233 0.0542856 -0.0907562 -0.0492725 1.1205614 12 Na 1.2300900 0.0221999 -0.0920560 0.0354941 1.3294233 -0.0542856 -0.0907562 0.0492725 1.1205614 13 Al 2.1169755 -0.3624799 -0.0150925 -0.3552890 1.7840537 -0.5280446 -0.0321879 -0.5470125 2.1572108 14 Al 2.1169755 0.3624799 -0.0150925 0.3552890 1.7840537 0.5280446 -0.0321879 0.5470125 2.1572108 15 Al 2.1169755 -0.3624799 -0.0150925 -0.3552890 1.7840537 -0.5280446 -0.0321879 -0.5470125 2.1572108 16 Al 2.1169755 0.3624799 -0.0150925 0.3552890 1.7840537 0.5280446 -0.0321879 0.5470125 2.1572108 17 Se -1.3869236 -0.0296740 -0.4321829 -0.0346255 -2.1281184 -0.0186868 -0.4276059 -0.0734309 -1.8606646 18 Se -1.3869236 0.0296740 -0.4321829 0.0346255 -2.1281184 0.0186868 -0.4276059 0.0734309 -1.8606646 19 Se -1.3869236 -0.0296740 -0.4321829 -0.0346255 -2.1281184 -0.0186868 -0.4276059 -0.0734309 -1.8606646 20 Se -1.3869236 0.0296740 -0.4321829 0.0346255 -2.1281184 0.0186868 -0.4276059 0.0734309 -1.8606646 21 Se -1.7615253 0.1006367 0.3505246 0.0594766 -1.5703370 -0.3988765 0.4539007 -0.3625768 -2.2859411 22 Se -1.7615253 -0.1006367 0.3505246 -0.0594766 -1.5703370 0.3988765 0.4539007 0.3625768 -2.2859411 23 Se -1.7615253 0.1006367 0.3505246 0.0594766 -1.5703370 -0.3988765 0.4539007 -0.3625768 -2.2859411 24 Se -1.7615253 -0.1006367 0.3505246 -0.0594766 -1.5703370 0.3988765 0.4539007 0.3625768 -2.2859411 25 Se -2.4286798 0.4049273 0.0656569 0.4081372 -1.5853775 0.0034284 -0.0350106 0.0497539 -1.5256197 26 Se -2.4286798 -0.4049273 0.0656569 -0.4081372 -1.5853775 -0.0034284 -0.0350106 -0.0497539 -1.5256197 27 Se -2.4286798 0.4049273 0.0656569 0.4081372 -1.5853775 0.0034284 -0.0350106 0.0497539 -1.5256197 28 Se -2.4286798 -0.4049273 0.0656569 -0.4081372 -1.5853775 -0.0034284 -0.0350106 -0.0497539 -1.5256197----------------------------------------------------------------------------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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087]Computing fc3[ 17, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087]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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087]Computing fc3[ 65, 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] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087]Computing fc3[ 81, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0049 0.0000 0.0087] [ 0.0049 0.0000 -0.0087]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000008 (xxz) 0.00000008 (xxz) 0.00000008 (xzx)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000019 (yx) -0.00000019 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:28:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-07 23:28:50]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 7.435304882222583 0.000000000000000 0.000000000000000 b 0.000000000000000 7.171000820000000 0.000000000000000 c -7.320828500566352 0.000000000000000 13.141557055518733Atomic positions (fractional): 1 Na 0.44053325069911 0.47494289706654 0.21527713202974 22.990 2 Na 0.55946674930089 0.97494289706654 0.28472286797026 22.990 3 Na 0.55946674930089 0.52505710293346 0.78472286797026 22.990 4 Na 0.44053325069911 0.02505710293346 0.71527713202974 22.990 5 Na 0.22823845102194 0.50542252472347 0.38958206289302 22.990 6 Na 0.77176154897806 0.00542252472347 0.11041793710698 22.990 7 Na 0.77176154897806 0.49457747527653 0.61041793710698 22.990 8 Na 0.22823845102194 0.99457747527653 0.88958206289302 22.990 9 Na 0.81168003799062 0.50599092181099 0.09967052300147 22.990 10 Na 0.18831996200938 0.00599092181099 0.40032947699853 22.990 11 Na 0.18831996200938 0.49400907818901 0.90032947699853 22.990 12 Na 0.81168003799062 0.99400907818901 0.59967052300147 22.990 13 Al 0.16292537095581 0.86035067193170 0.08051927200531 26.982 14 Al 0.83707462904419 0.36035067193170 0.41948072799469 26.982 15 Al 0.83707462904419 0.13964932806830 0.91948072799469 26.982 16 Al 0.16292537095581 0.63964932806830 0.58051927200531 26.982 17 Se 0.84543934457252 0.70103622530675 0.42770672058413 78.960 18 Se 0.15456065542748 0.20103622530675 0.07229327941587 78.960 19 Se 0.15456065542748 0.29896377469325 0.57229327941587 78.960 20 Se 0.84543934457252 0.79896377469325 0.92770672058413 78.960 21 Se 0.84485758772644 0.26286043750396 0.27184463499737 78.960 22 Se 0.15514241227356 0.76286043750396 0.22815536500263 78.960 23 Se 0.15514241227356 0.73713956249604 0.72815536500263 78.960 24 Se 0.84485758772644 0.23713956249604 0.77184463499737 78.960 25 Se 0.45057986543319 0.74377224235097 0.07266104587207 78.960 26 Se 0.54942013456681 0.24377224235097 0.42733895412793 78.960 27 Se 0.54942013456681 0.25622775764903 0.92733895412793 78.960 28 Se 0.45057986543319 0.75622775764903 0.57266104587207 78.960-------------------------------- supercell ---------------------------------Lattice vectors: a 14.870609764445167 0.000000000000000 0.000000000000000 b 0.000000000000000 14.342001639999999 0.000000000000000 c -7.320828500566352 0.000000000000000 13.141557055518733Atomic positions (fractional): 1 Na 0.22026662534955 0.23747144853327 0.21527713202974 22.990 > 1 2 Na 0.72026662534955 0.23747144853327 0.21527713202974 22.990 > 1 3 Na 0.22026662534955 0.73747144853327 0.21527713202974 22.990 > 1 4 Na 0.72026662534955 0.73747144853327 0.21527713202974 22.990 > 1 5 Na 0.27973337465045 0.48747144853327 0.28472286797026 22.990 > 5 6 Na 0.77973337465045 0.48747144853327 0.28472286797026 22.990 > 5 7 Na 0.27973337465045 0.98747144853327 0.28472286797026 22.990 > 5 8 Na 0.77973337465045 0.98747144853327 0.28472286797026 22.990 > 5 9 Na 0.27973337465045 0.26252855146673 0.78472286797026 22.990 > 9 10 Na 0.77973337465045 0.26252855146673 0.78472286797026 22.990 > 9 11 Na 0.27973337465045 0.76252855146673 0.78472286797026 22.990 > 9 12 Na 0.77973337465045 0.76252855146673 0.78472286797026 22.990 > 9 13 Na 0.22026662534955 0.01252855146673 0.71527713202974 22.990 > 13 14 Na 0.72026662534955 0.01252855146673 0.71527713202974 22.990 > 13 15 Na 0.22026662534955 0.51252855146673 0.71527713202974 22.990 > 13 16 Na 0.72026662534955 0.51252855146673 0.71527713202974 22.990 > 13 17 Na 0.11411922551097 0.25271126236174 0.38958206289302 22.990 > 17 18 Na 0.61411922551097 0.25271126236174 0.38958206289302 22.990 > 17 19 Na 0.11411922551097 0.75271126236174 0.38958206289302 22.990 > 17 20 Na 0.61411922551097 0.75271126236174 0.38958206289302 22.990 > 17 21 Na 0.38588077448903 0.00271126236173 0.11041793710698 22.990 > 21 22 Na 0.88588077448903 0.00271126236173 0.11041793710698 22.990 > 21 23 Na 0.38588077448903 0.50271126236174 0.11041793710698 22.990 > 21 24 Na 0.88588077448903 0.50271126236174 0.11041793710698 22.990 > 21 25 Na 0.38588077448903 0.24728873763827 0.61041793710698 22.990 > 25 26 Na 0.88588077448903 0.24728873763827 0.61041793710698 22.990 > 25 27 Na 0.38588077448903 0.74728873763826 0.61041793710698 22.990 > 25 28 Na 0.88588077448903 0.74728873763826 0.61041793710698 22.990 > 25 29 Na 0.11411922551097 0.49728873763826 0.88958206289302 22.990 > 29 30 Na 0.61411922551097 0.49728873763826 0.88958206289302 22.990 > 29 31 Na 0.11411922551097 0.99728873763826 0.88958206289302 22.990 > 29 32 Na 0.61411922551097 0.99728873763826 0.88958206289302 22.990 > 29 33 Na 0.40584001899531 0.25299546090549 0.09967052300147 22.990 > 33 34 Na 0.90584001899531 0.25299546090549 0.09967052300147 22.990 > 33 35 Na 0.40584001899531 0.75299546090549 0.09967052300147 22.990 > 33 36 Na 0.90584001899531 0.75299546090549 0.09967052300147 22.990 > 33 37 Na 0.09415998100469 0.00299546090549 0.40032947699853 22.990 > 37 38 Na 0.59415998100469 0.00299546090549 0.40032947699853 22.990 > 37 39 Na 0.09415998100469 0.50299546090549 0.40032947699853 22.990 > 37 40 Na 0.59415998100469 0.50299546090549 0.40032947699853 22.990 > 37 41 Na 0.09415998100469 0.24700453909451 0.90032947699853 22.990 > 41 42 Na 0.59415998100469 0.24700453909451 0.90032947699853 22.990 > 41 43 Na 0.09415998100469 0.74700453909451 0.90032947699853 22.990 > 41 44 Na 0.59415998100469 0.74700453909451 0.90032947699853 22.990 > 41 45 Na 0.40584001899531 0.49700453909451 0.59967052300147 22.990 > 45 46 Na 0.90584001899531 0.49700453909451 0.59967052300147 22.990 > 45 47 Na 0.40584001899531 0.99700453909451 0.59967052300147 22.990 > 45 48 Na 0.90584001899531 0.99700453909451 0.59967052300147 22.990 > 45 49 Al 0.08146268547791 0.43017533596585 0.08051927200531 26.982 > 49 50 Al 0.58146268547791 0.43017533596585 0.08051927200531 26.982 > 49 51 Al 0.08146268547791 0.93017533596585 0.08051927200531 26.982 > 49 52 Al 0.58146268547791 0.93017533596585 0.08051927200531 26.982 > 49 53 Al 0.41853731452209 0.18017533596585 0.41948072799469 26.982 > 53 54 Al 0.91853731452209 0.18017533596585 0.41948072799469 26.982 > 53 55 Al 0.41853731452209 0.68017533596585 0.41948072799469 26.982 > 53 56 Al 0.91853731452209 0.68017533596585 0.41948072799469 26.982 > 53 57 Al 0.41853731452209 0.06982466403415 0.91948072799469 26.982 > 57 58 Al 0.91853731452209 0.06982466403415 0.91948072799469 26.982 > 57 59 Al 0.41853731452209 0.56982466403415 0.91948072799469 26.982 > 57 60 Al 0.91853731452209 0.56982466403415 0.91948072799469 26.982 > 57 61 Al 0.08146268547791 0.31982466403415 0.58051927200531 26.982 > 61 62 Al 0.58146268547791 0.31982466403415 0.58051927200531 26.982 > 61 63 Al 0.08146268547791 0.81982466403415 0.58051927200531 26.982 > 61 64 Al 0.58146268547791 0.81982466403415 0.58051927200531 26.982 > 61 65 Se 0.42271967228626 0.35051811265337 0.42770672058413 78.960 > 65 66 Se 0.92271967228626 0.35051811265337 0.42770672058413 78.960 > 65 67 Se 0.42271967228626 0.85051811265337 0.42770672058413 78.960 > 65 68 Se 0.92271967228626 0.85051811265337 0.42770672058413 78.960 > 65 69 Se 0.07728032771374 0.10051811265337 0.07229327941587 78.960 > 69 70 Se 0.57728032771374 0.10051811265337 0.07229327941587 78.960 > 69 71 Se 0.07728032771374 0.60051811265337 0.07229327941587 78.960 > 69 72 Se 0.57728032771374 0.60051811265337 0.07229327941587 78.960 > 69 73 Se 0.07728032771374 0.14948188734663 0.57229327941587 78.960 > 73 74 Se 0.57728032771374 0.14948188734663 0.57229327941587 78.960 > 73 75 Se 0.07728032771374 0.64948188734663 0.57229327941587 78.960 > 73 76 Se 0.57728032771374 0.64948188734663 0.57229327941587 78.960 > 73 77 Se 0.42271967228626 0.39948188734663 0.92770672058413 78.960 > 77 78 Se 0.92271967228626 0.39948188734663 0.92770672058413 78.960 > 77 79 Se 0.42271967228626 0.89948188734663 0.92770672058413 78.960 > 77 80 Se 0.92271967228626 0.89948188734663 0.92770672058413 78.960 > 77 81 Se 0.42242879386322 0.13143021875198 0.27184463499737 78.960 > 81 82 Se 0.92242879386322 0.13143021875198 0.27184463499737 78.960 > 81 83 Se 0.42242879386322 0.63143021875198 0.27184463499737 78.960 > 81 84 Se 0.92242879386322 0.63143021875198 0.27184463499737 78.960 > 81 85 Se 0.07757120613678 0.38143021875198 0.22815536500263 78.960 > 85 86 Se 0.57757120613678 0.38143021875198 0.22815536500263 78.960 > 85 87 Se 0.07757120613678 0.88143021875198 0.22815536500263 78.960 > 85 88 Se 0.57757120613678 0.88143021875198 0.22815536500263 78.960 > 85 89 Se 0.07757120613678 0.36856978124802 0.72815536500263 78.960 > 89 90 Se 0.57757120613678 0.36856978124802 0.72815536500263 78.960 > 89 91 Se 0.07757120613678 0.86856978124802 0.72815536500263 78.960 > 89 92 Se 0.57757120613678 0.86856978124802 0.72815536500263 78.960 > 89 93 Se 0.42242879386322 0.11856978124802 0.77184463499737 78.960 > 93 94 Se 0.92242879386322 0.11856978124802 0.77184463499737 78.960 > 93 95 Se 0.42242879386322 0.61856978124802 0.77184463499737 78.960 > 93 96 Se 0.92242879386322 0.61856978124802 0.77184463499737 78.960 > 93 97 Se 0.22528993271659 0.37188612117548 0.07266104587207 78.960 > 97 98 Se 0.72528993271659 0.37188612117548 0.07266104587207 78.960 > 97 99 Se 0.22528993271659 0.87188612117548 0.07266104587207 78.960 > 97 100 Se 0.72528993271659 0.87188612117548 0.07266104587207 78.960 > 97 101 Se 0.27471006728341 0.12188612117548 0.42733895412793 78.960 > 101 102 Se 0.77471006728341 0.12188612117548 0.42733895412793 78.960 > 101 103 Se 0.27471006728341 0.62188612117548 0.42733895412793 78.960 > 101 104 Se 0.77471006728341 0.62188612117548 0.42733895412793 78.960 > 101 105 Se 0.27471006728341 0.12811387882452 0.92733895412793 78.960 > 105 106 Se 0.77471006728341 0.12811387882452 0.92733895412793 78.960 > 105 107 Se 0.27471006728341 0.62811387882452 0.92733895412793 78.960 > 105 108 Se 0.77471006728341 0.62811387882452 0.92733895412793 78.960 > 105 109 Se 0.22528993271659 0.37811387882452 0.57266104587207 78.960 > 109 110 Se 0.72528993271659 0.37811387882452 0.57266104587207 78.960 > 109 111 Se 0.22528993271659 0.87811387882452 0.57266104587207 78.960 > 109 112 Se 0.72528993271659 0.87811387882452 0.57266104587207 78.960 > 109----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 4.4509624 0.0000000 -0.0228612 0.0000000 4.3574305 0.0000000 -0.0228573 0.0000000 4.4347131-------------------------- Born effective charges -------------------------- 1 Na 0.9719595 -0.0519810 0.2283745 -0.0371899 1.2115886 -0.0400684 0.2274947 -0.0782356 1.2490400 2 Na 0.9719595 0.0519810 0.2283745 0.0371899 1.2115886 0.0400684 0.2274947 0.0782356 1.2490400 3 Na 0.9719595 -0.0519810 0.2283745 -0.0371899 1.2115886 -0.0400684 0.2274947 -0.0782356 1.2490400 4 Na 0.9719595 0.0519810 0.2283745 0.0371899 1.2115886 0.0400684 0.2274947 0.0782356 1.2490400 5 Na 1.2581037 -0.0162503 -0.1052247 0.0531173 0.9587673 -0.0569991 -0.0958347 -0.0892196 1.1454133 6 Na 1.2581037 0.0162503 -0.1052247 -0.0531173 0.9587673 0.0569991 -0.0958347 0.0892196 1.1454133 7 Na 1.2581037 -0.0162503 -0.1052247 0.0531173 0.9587673 -0.0569991 -0.0958347 -0.0892196 1.1454133 8 Na 1.2581037 0.0162503 -0.1052247 -0.0531173 0.9587673 0.0569991 -0.0958347 0.0892196 1.1454133 9 Na 1.2300900 -0.0221999 -0.0920560 -0.0354941 1.3294233 0.0542856 -0.0907562 -0.0492725 1.1205614 10 Na 1.2300900 0.0221999 -0.0920560 0.0354941 1.3294233 -0.0542856 -0.0907562 0.0492725 1.1205614 11 Na 1.2300900 -0.0221999 -0.0920560 -0.0354941 1.3294233 0.0542856 -0.0907562 -0.0492725 1.1205614 12 Na 1.2300900 0.0221999 -0.0920560 0.0354941 1.3294233 -0.0542856 -0.0907562 0.0492725 1.1205614 13 Al 2.1169755 -0.3624799 -0.0150925 -0.3552890 1.7840537 -0.5280446 -0.0321879 -0.5470125 2.1572108 14 Al 2.1169755 0.3624799 -0.0150925 0.3552890 1.7840537 0.5280446 -0.0321879 0.5470125 2.1572108 15 Al 2.1169755 -0.3624799 -0.0150925 -0.3552890 1.7840537 -0.5280446 -0.0321879 -0.5470125 2.1572108 16 Al 2.1169755 0.3624799 -0.0150925 0.3552890 1.7840537 0.5280446 -0.0321879 0.5470125 2.1572108 17 Se -1.3869236 -0.0296740 -0.4321829 -0.0346255 -2.1281184 -0.0186868 -0.4276059 -0.0734309 -1.8606646 18 Se -1.3869236 0.0296740 -0.4321829 0.0346255 -2.1281184 0.0186868 -0.4276059 0.0734309 -1.8606646 19 Se -1.3869236 -0.0296740 -0.4321829 -0.0346255 -2.1281184 -0.0186868 -0.4276059 -0.0734309 -1.8606646 20 Se -1.3869236 0.0296740 -0.4321829 0.0346255 -2.1281184 0.0186868 -0.4276059 0.0734309 -1.8606646 21 Se -1.7615253 0.1006367 0.3505246 0.0594766 -1.5703370 -0.3988765 0.4539007 -0.3625768 -2.2859411 22 Se -1.7615253 -0.1006367 0.3505246 -0.0594766 -1.5703370 0.3988765 0.4539007 0.3625768 -2.2859411 23 Se -1.7615253 0.1006367 0.3505246 0.0594766 -1.5703370 -0.3988765 0.4539007 -0.3625768 -2.2859411 24 Se -1.7615253 -0.1006367 0.3505246 -0.0594766 -1.5703370 0.3988765 0.4539007 0.3625768 -2.2859411 25 Se -2.4286798 0.4049273 0.0656569 0.4081372 -1.5853775 0.0034284 -0.0350106 0.0497539 -1.5256197 26 Se -2.4286798 -0.4049273 0.0656569 -0.4081372 -1.5853775 -0.0034284 -0.0350106 -0.0497539 -1.5256197 27 Se -2.4286798 0.4049273 0.0656569 0.4081372 -1.5853775 0.0034284 -0.0350106 0.0497539 -1.5256197 28 Se -2.4286798 -0.4049273 0.0656569 -0.4081372 -1.5853775 -0.0034284 -0.0350106 -0.0497539 -1.5256197----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000008 (xxz) 0.00000008 (xxz) 0.00000008 (xzx)Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 8 7 4 ]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: 0.47, Number of G-points: 303, Lambda: 0.10Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/72) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.109 ( 0.000 0.000 0.000) 0.000 1.140 ( 0.000 0.000 0.000) 0.000 1.156 ( 0.000 0.000 0.000) 0.000 1.329 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.141 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.495 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.246 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.819 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.901 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 3.977 ( 0.000 0.000 0.000) 0.000 4.048 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.425 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.549 ( 0.000 0.000 0.000) 0.000 4.647 ( 0.000 0.000 0.000) 0.000 4.654 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 5.046 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.161 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.389 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 6.310 ( 0.000 0.000 0.000) 0.000 6.375 ( 0.000 0.000 0.000) 0.000 6.563 ( 0.000 0.000 0.000) 0.000 8.246 ( 0.000 0.000 0.000) 0.000 8.261 ( 0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 11.149 ( 0.000 0.000 0.000) 0.000 11.423 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 0.000) 0.000 11.556 ( 0.000 0.000 0.000) 0.000 11.757 ( 0.000 0.000 0.000) 0.000 11.807 ( 0.000 0.000 0.000) 0.000 11.967 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/72) =======================q-point: ( 0.12 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.330 ( 18.683 0.000 1.407) 18.736 0.361 ( 13.416 0.000 13.728) 19.195 0.645 ( 26.088 0.000 18.802) 32.157 0.975 ( -1.576 0.000 -16.423) 16.499 1.049 ( -1.535 0.000 -3.866) 4.160 1.124 ( 0.283 0.000 3.930) 3.940 1.289 ( 0.752 0.000 1.656) 1.819 1.332 ( 1.386 0.000 -4.794) 4.990 1.338 ( 2.075 0.000 -0.873) 2.251 1.479 ( 1.101 0.000 -0.981) 1.475 1.500 ( 1.429 0.000 2.266) 2.679 1.564 ( -0.652 0.000 4.800) 4.844 1.915 ( -4.052 0.000 -8.802) 9.690 2.002 ( -5.328 0.000 -2.476) 5.875 2.105 ( -5.598 0.000 -0.973) 5.682 2.228 ( -3.269 0.000 0.194) 3.274 2.238 ( 4.446 0.000 6.230) 7.654 2.332 ( 3.361 0.000 -3.819) 5.087 2.532 ( 1.915 0.000 2.644) 3.264 2.565 ( -4.896 0.000 0.004) 4.896 2.685 ( 2.349 0.000 -1.761) 2.936 2.715 ( -0.322 0.000 0.076) 0.331 2.727 ( 0.469 0.000 -0.912) 1.026 2.796 ( 1.683 0.000 0.723) 1.831 2.821 ( 4.097 0.000 4.404) 6.015 2.931 ( 2.564 0.000 -9.779) 10.110 2.986 ( 2.901 0.000 5.821) 6.504 3.033 ( 2.732 0.000 -3.241) 4.239 3.081 ( -0.246 0.000 -0.092) 0.262 3.147 ( 3.023 0.000 3.553) 4.666 3.201 ( 3.501 0.000 -9.353) 9.987 3.225 ( -3.012 0.000 -1.077) 3.199 3.252 ( 0.444 0.000 0.558) 0.713 3.291 ( 0.214 0.000 -2.563) 2.572 3.306 ( -0.997 0.000 0.310) 1.044 3.425 ( 1.731 0.000 0.024) 1.731 3.468 ( -0.188 0.000 2.271) 2.279 3.585 ( -2.540 0.000 0.130) 2.544 3.592 ( -5.020 0.000 -8.314) 9.712 3.631 ( 2.940 0.000 -1.212) 3.180 3.730 ( 0.695 0.000 -0.005) 0.695 3.857 ( -4.608 0.000 3.725) 5.926 3.878 ( 1.291 0.000 -4.617) 4.794 3.887 ( -0.137 0.000 -5.943) 5.945 3.915 ( -2.207 0.000 -0.178) 2.214 4.039 ( 1.267 0.000 1.783) 2.187 4.076 ( 5.652 0.000 0.887) 5.721 4.109 ( 3.305 0.000 9.066) 9.650 4.239 ( 0.844 0.000 -2.201) 2.357 4.243 ( 0.190 0.000 1.205) 1.219 4.429 ( 0.363 0.000 1.412) 1.458 4.574 ( 2.808 0.000 0.403) 2.837 4.625 ( -2.205 0.000 -0.768) 2.335 4.663 ( -0.094 0.000 3.102) 3.104 4.694 ( -0.753 0.000 -0.130) 0.764 4.797 ( 1.525 0.000 1.974) 2.495 4.811 ( -2.783 0.000 5.433) 6.104 5.044 ( -1.621 0.000 -0.270) 1.643 5.060 ( -4.368 0.000 -0.168) 4.371 5.147 ( -2.392 0.000 -2.103) 3.185 5.149 ( -2.983 0.000 0.667) 3.057 5.202 ( 3.302 0.000 -4.623) 5.681 5.269 ( -6.674 0.000 7.042) 9.702 5.382 ( 1.160 0.000 -2.712) 2.949 5.418 ( 2.874 0.000 0.660) 2.948 5.496 ( 0.203 0.000 0.012) 0.204 5.716 ( -1.864 0.000 -2.291) 2.953 5.738 ( -0.944 0.000 -2.754) 2.911 6.058 ( 2.530 0.000 4.117) 4.832 6.284 ( -4.642 0.000 -2.399) 5.225 6.484 ( 0.600 0.000 6.969) 6.995 6.544 ( -1.614 0.000 -0.744) 1.778 8.246 ( 0.023 0.000 -0.075) 0.078 8.261 ( 0.007 0.000 0.055) 0.055 10.025 ( -2.454 0.000 1.804) 3.045 10.320 ( -7.276 0.000 1.665) 7.464 11.366 ( -7.764 0.000 14.672) 16.600 11.428 ( 2.119 0.000 -2.658) 3.399 11.567 ( 2.011 0.000 6.449) 6.755 11.706 ( -3.997 0.000 -1.575) 4.296 11.834 ( 3.392 0.000 -0.688) 3.461 11.923 ( 10.671 0.000 -17.752) 20.712 11.985 ( 1.374 0.000 -0.847) 1.614 12.038 ( 3.197 0.000 1.511) 3.537======================= Grid point 2 (3/72) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( 15.947 0.000 2.747) 16.182 0.698 ( 10.859 0.000 12.920) 16.878 0.815 ( 2.684 0.000 -14.858) 15.099 0.949 ( -4.315 0.000 -2.527) 5.000 1.175 ( 10.069 0.000 5.269) 11.365 1.193 ( 4.994 0.000 0.126) 4.996 1.244 ( 0.040 0.000 0.415) 0.417 1.318 ( 3.040 0.000 -7.541) 8.131 1.375 ( 2.857 0.000 5.011) 5.768 1.454 ( -1.775 0.000 0.081) 1.777 1.574 ( 2.533 0.000 5.629) 6.172 1.669 ( 3.460 0.000 9.787) 10.380 1.745 ( -6.789 0.000 -4.264) 8.017 1.922 ( -0.849 0.000 -3.908) 3.999 2.019 ( -1.828 0.000 -1.297) 2.242 2.150 ( -5.168 0.000 -0.804) 5.230 2.319 ( 0.677 0.000 -5.973) 6.011 2.388 ( 4.808 0.000 5.761) 7.504 2.489 ( -2.922 0.000 -2.754) 4.015 2.586 ( 1.074 0.000 4.235) 4.369 2.658 ( 0.689 0.000 -3.053) 3.130 2.723 ( -0.073 0.000 1.207) 1.209 2.783 ( 1.315 0.000 1.340) 1.877 2.814 ( 0.409 0.000 -3.042) 3.070 2.866 ( -1.415 0.000 -4.956) 5.154 2.873 ( -1.597 0.000 0.428) 1.654 2.994 ( -1.161 0.000 -4.653) 4.796 3.033 ( -2.646 0.000 -2.394) 3.569 3.046 ( -0.839 0.000 -0.588) 1.025 3.198 ( 0.514 0.000 0.300) 0.595 3.208 ( 0.894 0.000 3.752) 3.857 3.258 ( 1.194 0.000 6.594) 6.701 3.279 ( 4.559 0.000 -2.361) 5.134 3.287 ( 3.859 0.000 -3.487) 5.201 3.321 ( 1.871 0.000 2.634) 3.231 3.441 ( -0.624 0.000 0.197) 0.654 3.478 ( 1.496 0.000 -1.780) 2.325 3.518 ( 5.074 0.000 -1.773) 5.375 3.550 ( -1.405 0.000 0.085) 1.408 3.677 ( -0.919 0.000 -0.351) 0.984 3.756 ( 2.670 0.000 1.021) 2.859 3.779 ( -5.702 0.000 0.783) 5.756 3.833 ( -0.392 0.000 -4.496) 4.513 3.875 ( -0.083 0.000 -0.096) 0.127 3.881 ( -1.588 0.000 0.829) 1.791 4.038 ( -0.945 0.000 0.127) 0.954 4.165 ( 3.036 0.000 1.195) 3.262 4.195 ( -1.102 0.000 1.653) 1.987 4.260 ( 1.200 0.000 -0.343) 1.248 4.283 ( 6.453 0.000 2.315) 6.856 4.470 ( 1.531 0.000 2.992) 3.361 4.561 ( -3.017 0.000 -4.509) 5.425 4.643 ( 4.383 0.000 0.330) 4.395 4.660 ( -2.242 0.000 0.916) 2.422 4.685 ( -1.854 0.000 4.080) 4.481 4.835 ( 1.817 0.000 0.411) 1.863 4.849 ( 0.866 0.000 3.806) 3.903 4.993 ( -3.449 0.000 1.284) 3.680 4.999 ( -2.496 0.000 -1.138) 2.743 5.074 ( -2.359 0.000 -3.303) 4.058 5.083 ( -3.270 0.000 -1.643) 3.660 5.210 ( 0.007 0.000 -0.956) 0.956 5.246 ( -2.061 0.000 3.500) 4.061 5.382 ( 1.877 0.000 -3.255) 3.757 5.458 ( 0.725 0.000 1.291) 1.481 5.495 ( -0.372 0.000 0.126) 0.392 5.633 ( -4.479 0.000 -4.059) 6.045 5.698 ( -0.612 0.000 -1.663) 1.772 6.142 ( 1.752 0.000 4.678) 4.996 6.186 ( -3.996 0.000 -3.197) 5.117 6.508 ( -1.306 0.000 -0.939) 1.609 6.535 ( -0.235 0.000 3.284) 3.293 8.246 ( 0.112 0.000 -0.083) 0.139 8.262 ( 0.052 0.000 0.084) 0.099 9.995 ( -3.296 0.000 2.415) 4.086 10.187 ( -7.503 0.000 -1.852) 7.728 11.390 ( -1.199 0.000 6.123) 6.239 11.444 ( 3.536 0.000 -4.163) 5.462 11.620 ( -4.013 0.000 -1.636) 4.334 11.663 ( 2.282 0.000 5.065) 5.556 11.898 ( 5.324 0.000 -1.957) 5.673 11.943 ( 3.816 0.000 -3.949) 5.492 11.996 ( 1.498 0.000 -1.768) 2.317 12.114 ( 2.782 0.000 2.782) 3.934======================= Grid point 3 (4/72) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.754 ( 3.942 0.000 -5.893) 7.090 0.803 ( -4.427 0.000 2.359) 5.017 0.938 ( 14.378 0.000 -0.195) 14.380 1.057 ( 12.322 0.000 7.458) 14.403 1.100 ( -4.318 0.000 -3.858) 5.791 1.238 ( -2.935 0.000 -1.471) 3.282 1.241 ( 4.487 0.000 -9.330) 10.353 1.319 ( 1.384 0.000 2.179) 2.582 1.335 ( -8.152 0.000 0.718) 8.183 1.592 ( -7.369 0.000 -4.890) 8.844 1.630 ( 4.874 0.000 6.049) 7.769 1.665 ( 0.731 0.000 6.736) 6.775 1.888 ( 9.248 0.000 11.550) 14.796 1.927 ( 3.912 0.000 -1.351) 4.138 2.031 ( 3.803 0.000 1.151) 3.973 2.068 ( -3.840 0.000 2.312) 4.482 2.246 ( -2.108 0.000 -7.108) 7.414 2.406 ( -1.810 0.000 -5.405) 5.700 2.466 ( 0.577 0.000 2.311) 2.382 2.662 ( 2.550 0.000 2.645) 3.674 2.666 ( 1.658 0.000 -0.093) 1.660 2.705 ( -3.127 0.000 0.169) 3.132 2.753 ( -0.784 0.000 -6.607) 6.653 2.786 ( -0.871 0.000 -0.184) 0.890 2.809 ( -0.851 0.000 -2.179) 2.340 2.817 ( -3.332 0.000 -0.618) 3.389 2.897 ( -3.023 0.000 -5.596) 6.360 2.990 ( -0.899 0.000 -0.005) 0.899 3.030 ( -0.589 0.000 0.257) 0.643 3.208 ( -0.848 0.000 -2.351) 2.499 3.210 ( 0.509 0.000 -0.307) 0.595 3.292 ( 1.410 0.000 -1.573) 2.113 3.328 ( 0.157 0.000 6.843) 6.844 3.386 ( 1.835 0.000 2.678) 3.246 3.438 ( 8.128 0.000 3.121) 8.707 3.466 ( 1.811 0.000 1.847) 2.587 3.488 ( 1.963 0.000 -3.988) 4.445 3.543 ( -0.269 0.000 2.960) 2.972 3.608 ( 0.601 0.000 -1.450) 1.570 3.623 ( 1.851 0.000 -1.679) 2.498 3.699 ( -3.762 0.000 -0.343) 3.777 3.801 ( -0.680 0.000 1.666) 1.800 3.809 ( 0.196 0.000 4.292) 4.296 3.874 ( 0.315 0.000 -1.061) 1.107 3.877 ( 0.195 0.000 0.099) 0.219 4.042 ( 0.720 0.000 1.525) 1.686 4.164 ( -3.489 0.000 -2.679) 4.399 4.167 ( -1.506 0.000 -1.497) 2.123 4.276 ( 1.994 0.000 -1.161) 2.307 4.423 ( 5.408 0.000 3.160) 6.263 4.450 ( -3.412 0.000 -5.071) 6.112 4.526 ( 1.595 0.000 3.065) 3.455 4.656 ( -2.909 0.000 0.314) 2.926 4.665 ( 1.194 0.000 1.431) 1.864 4.726 ( 3.955 0.000 0.878) 4.052 4.859 ( 0.815 0.000 -0.538) 0.976 4.859 ( -3.171 0.000 1.808) 3.650 4.956 ( -1.730 0.000 -0.893) 1.947 5.002 ( 0.486 0.000 3.465) 3.498 5.024 ( -0.097 0.000 -1.808) 1.811 5.043 ( 1.209 0.000 -0.028) 1.209 5.178 ( -3.666 0.000 1.613) 4.005 5.255 ( 1.208 0.000 -0.928) 1.523 5.370 ( -0.601 0.000 -3.273) 3.328 5.467 ( -3.052 0.000 -2.678) 4.060 5.470 ( -0.328 0.000 0.995) 1.048 5.524 ( -1.923 0.000 -2.119) 2.861 5.703 ( 1.514 0.000 0.741) 1.685 6.090 ( -3.630 0.000 -2.953) 4.680 6.192 ( 0.048 0.000 2.796) 2.796 6.490 ( -0.063 0.000 -0.448) 0.452 6.544 ( -0.781 0.000 1.093) 1.344 8.248 ( 0.144 0.000 -0.035) 0.148 8.264 ( 0.078 0.000 0.075) 0.109 9.966 ( -2.191 0.000 1.668) 2.754 10.061 ( -4.852 0.000 -1.705) 5.143 11.429 ( 0.381 0.000 2.932) 2.957 11.468 ( 3.767 0.000 -3.816) 5.362 11.548 ( -3.411 0.000 -0.280) 3.422 11.726 ( 1.252 0.000 1.841) 2.227 11.954 ( 3.174 0.000 -2.478) 4.027 11.981 ( 2.007 0.000 1.461) 2.482 12.003 ( 1.037 0.000 -1.260) 1.632 12.172 ( 1.233 0.000 2.099) 2.434======================= Grid point 4 (5/72) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( 0.000 0.000 0.000) 0.000 0.775 ( 0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.147 ( -0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 -0.000) 0.000 1.201 ( -0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.279 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.425 ( -0.000 0.000 -0.000) 0.000 1.687 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.994 ( 0.000 0.000 0.000) 0.000 2.103 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 -0.000) 0.000 2.149 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 -0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.682 ( 0.000 0.000 -0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 -0.000) 0.000 2.771 ( 0.000 0.000 -0.000) 0.000 2.774 ( -0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.989 ( 0.000 0.000 0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.211 ( 0.000 0.000 0.000) 0.000 3.297 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.417 ( 0.000 0.000 0.000) 0.000 3.447 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.536 ( -0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 -0.000) 0.000 3.575 ( 0.000 0.000 -0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.663 ( 0.000 0.000 0.000) 0.000 3.842 ( 0.000 0.000 -0.000) 0.000 3.842 ( 0.000 0.000 0.000) 0.000 3.863 ( 0.000 0.000 -0.000) 0.000 3.879 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 -0.000) 0.000 4.068 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.489 ( 0.000 0.000 0.000) 0.000 4.560 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.692 ( 0.000 0.000 0.000) 0.000 4.789 ( 0.000 0.000 0.000) 0.000 4.812 ( -0.000 0.000 0.000) 0.000 4.862 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.108 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.262 ( 0.000 0.000 -0.000) 0.000 5.302 ( 0.000 0.000 0.000) 0.000 5.425 ( 0.000 0.000 0.000) 0.000 5.471 ( 0.000 0.000 0.000) 0.000 5.511 ( 0.000 0.000 -0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.204 ( 0.000 0.000 0.000) 0.000 6.490 ( 0.000 0.000 0.000) 0.000 6.541 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.265 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 10.010 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.499 ( -0.000 0.000 0.000) 0.000 11.501 ( 0.000 0.000 -0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 11.968 ( 0.000 0.000 0.000) 0.000 12.006 ( 0.000 0.000 0.000) 0.000 12.009 ( 0.000 0.000 0.000) 0.000 12.193 ( 0.000 0.000 0.000) 0.000======================= Grid point 9 (6/72) =======================q-point: ( 0.00 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.196 ( 0.000 10.131 0.000) 10.131 0.386 ( 0.000 18.931 0.000) 18.931 0.663 ( 0.000 31.453 0.000) 31.453 1.024 ( 0.000 -3.160 0.000) 3.160 1.065 ( 0.000 -2.771 0.000) 2.771 1.139 ( 0.000 -0.625 0.000) 0.625 1.201 ( 0.000 3.210 0.000) 3.210 1.292 ( 0.000 -3.729 0.000) 3.729 1.379 ( 0.000 2.064 0.000) 2.064 1.428 ( 0.000 -1.868 0.000) 1.868 1.478 ( 0.000 -1.340 0.000) 1.340 1.537 ( 0.000 -2.898 0.000) 2.898 1.912 ( 0.000 -6.643 0.000) 6.643 2.054 ( 0.000 -5.447 0.000) 5.447 2.165 ( 0.000 3.396 0.000) 3.396 2.187 ( 0.000 1.891 0.000) 1.891 2.253 ( 0.000 -0.597 0.000) 0.597 2.315 ( 0.000 3.760 0.000) 3.760 2.524 ( 0.000 0.338 0.000) 0.338 2.656 ( 0.000 1.133 0.000) 1.133 2.681 ( 0.000 -1.178 0.000) 1.178 2.727 ( 0.000 -3.006 0.000) 3.006 2.756 ( 0.000 1.963 0.000) 1.963 2.780 ( 0.000 -1.702 0.000) 1.702 2.806 ( 0.000 -0.335 0.000) 0.335 2.838 ( 0.000 2.160 0.000) 2.160 2.961 ( 0.000 3.018 0.000) 3.018 3.050 ( 0.000 2.335 0.000) 2.335 3.072 ( 0.000 0.432 0.000) 0.432 3.106 ( 0.000 0.306 0.000) 0.306 3.127 ( 0.000 1.956 0.000) 1.956 3.250 ( 0.000 0.427 0.000) 0.427 3.305 ( 0.000 0.708 0.000) 0.708 3.322 ( 0.000 3.915 0.000) 3.915 3.331 ( 0.000 1.463 0.000) 1.463 3.430 ( 0.000 0.286 0.000) 0.286 3.442 ( 0.000 2.321 0.000) 2.321 3.568 ( 0.000 -3.598 0.000) 3.598 3.587 ( 0.000 1.991 0.000) 1.991 3.722 ( 0.000 -1.196 0.000) 1.196 3.817 ( 0.000 -3.120 0.000) 3.120 3.817 ( 0.000 -1.998 0.000) 1.998 3.876 ( 0.000 -0.513 0.000) 0.513 3.917 ( 0.000 2.778 0.000) 2.778 3.955 ( 0.000 0.808 0.000) 0.808 4.023 ( 0.000 3.622 0.000) 3.622 4.031 ( 0.000 -1.793 0.000) 1.793 4.212 ( 0.000 -2.226 0.000) 2.226 4.244 ( 0.000 -0.026 0.000) 0.026 4.284 ( 0.000 2.775 0.000) 2.775 4.383 ( 0.000 -3.788 0.000) 3.788 4.533 ( 0.000 -0.546 0.000) 0.546 4.547 ( 0.000 0.025 0.000) 0.025 4.633 ( 0.000 -0.111 0.000) 0.111 4.694 ( 0.000 3.145 0.000) 3.145 4.707 ( 0.000 0.197 0.000) 0.197 4.908 ( 0.000 -0.155 0.000) 0.155 5.040 ( 0.000 -0.705 0.000) 0.705 5.060 ( 0.000 -0.182 0.000) 0.182 5.091 ( 0.000 -1.643 0.000) 1.643 5.162 ( 0.000 -1.507 0.000) 1.507 5.173 ( 0.000 -2.271 0.000) 2.271 5.298 ( 0.000 -1.824 0.000) 1.824 5.321 ( 0.000 -4.158 0.000) 4.158 5.420 ( 0.000 -0.011 0.000) 0.011 5.454 ( 0.000 -3.288 0.000) 3.288 5.736 ( 0.000 -0.272 0.000) 0.272 5.830 ( 0.000 1.030 0.000) 1.030 6.019 ( 0.000 0.314 0.000) 0.314 6.280 ( 0.000 -2.756 0.000) 2.756 6.393 ( 0.000 1.722 0.000) 1.722 6.566 ( 0.000 0.130 0.000) 0.130 8.253 ( 0.000 0.627 0.000) 0.627 8.265 ( 0.000 0.437 0.000) 0.437 10.349 ( 0.000 4.756 0.000) 4.756 10.648 ( 0.000 0.903 0.000) 0.903 11.167 ( 0.000 1.709 0.000) 1.709 11.438 ( 0.000 -0.531 0.000) 0.531 11.525 ( 0.000 1.140 0.000) 1.140 11.563 ( 0.000 0.600 0.000) 0.600 11.689 ( 0.000 -3.067 0.000) 3.067 11.891 ( 0.000 4.782 0.000) 4.782 11.958 ( 0.000 -1.343 0.000) 1.343 12.005 ( 0.000 0.362 0.000) 0.362======================= Grid point 10 (7/72) =======================q-point: ( 0.12 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.392 ( 17.478 5.391 -1.492) 18.351 0.461 ( 7.947 12.448 5.095) 15.622 0.899 ( 10.556 14.334 7.204) 19.204 1.003 ( 3.886 5.137 -4.136) 7.655 1.052 ( 2.006 1.618 -3.022) 3.971 1.108 ( -0.198 -1.077 2.309) 2.555 1.234 ( -2.223 -3.654 -3.976) 5.840 1.308 ( 4.088 2.181 5.499) 7.191 1.385 ( 0.798 -0.505 -0.677) 1.162 1.440 ( 0.916 -1.970 -0.934) 2.365 1.484 ( 1.015 -1.271 3.668) 4.013 1.581 ( 2.705 0.484 2.321) 3.597 1.919 ( -0.135 -5.338 -0.751) 5.392 1.982 ( -6.421 -0.256 -3.273) 7.211 2.043 ( -5.792 0.146 -6.097) 8.411 2.217 ( -0.369 -2.814 -3.381) 4.414 2.256 ( 2.000 2.162 1.782) 3.442 2.342 ( 1.112 2.144 3.117) 3.944 2.543 ( 0.857 -1.623 1.007) 2.094 2.585 ( -5.251 1.284 -0.304) 5.414 2.690 ( 0.333 0.773 -3.289) 3.395 2.699 ( 2.140 -0.697 0.784) 2.383 2.737 ( -0.483 0.370 -0.254) 0.659 2.791 ( 0.776 -0.985 1.377) 1.862 2.854 ( 2.358 1.223 -0.279) 2.670 2.878 ( 4.144 -1.552 -3.682) 5.757 2.999 ( 2.341 2.533 4.033) 5.306 3.044 ( 0.572 1.191 -2.830) 3.123 3.090 ( -0.081 1.092 1.205) 1.628 3.138 ( 3.893 -2.233 0.501) 4.516 3.159 ( 0.651 0.284 1.498) 1.658 3.238 ( -1.898 0.732 1.139) 2.332 3.269 ( -2.485 -0.661 -0.507) 2.620 3.303 ( 0.310 3.096 -2.972) 4.303 3.335 ( 0.196 2.505 -0.724) 2.615 3.452 ( 0.736 1.302 -1.378) 2.034 3.465 ( 0.894 0.155 -0.334) 0.967 3.544 ( -1.366 -2.022 -0.068) 2.441 3.617 ( -4.753 0.581 -4.531) 6.592 3.657 ( 4.906 1.531 1.326) 5.308 3.755 ( 1.050 1.293 0.315) 1.695 3.835 ( -4.726 -1.479 1.408) 5.148 3.871 ( 0.803 -0.059 -2.902) 3.011 3.897 ( -0.028 1.362 -2.597) 2.933 3.975 ( -1.497 1.487 -2.171) 3.027 4.040 ( -0.943 -1.900 -0.713) 2.238 4.093 ( 3.713 1.661 1.624) 4.380 4.139 ( 2.871 2.539 4.659) 6.033 4.245 ( -0.373 1.092 -0.497) 1.256 4.289 ( 0.521 3.494 -0.475) 3.565 4.388 ( 0.651 -3.392 0.178) 3.458 4.557 ( 1.434 -1.234 0.271) 1.911 4.565 ( 0.195 -3.715 -0.138) 3.723 4.646 ( -1.728 0.701 -1.452) 2.364 4.712 ( 2.775 -2.877 6.359) 7.511 4.769 ( 1.893 3.167 3.746) 5.258 4.879 ( -2.363 1.648 0.875) 3.011 5.021 ( -3.697 -1.459 -0.768) 4.048 5.043 ( -1.737 -1.349 -1.326) 2.568 5.106 ( -0.387 -2.583 2.385) 3.537 5.149 ( -1.581 -0.764 0.449) 1.812 5.180 ( 1.784 -1.777 -2.367) 3.456 5.265 ( -4.494 -0.771 1.303) 4.742 5.327 ( 1.068 -4.107 0.646) 4.293 5.403 ( -0.742 -1.946 -0.771) 2.221 5.470 ( 0.685 -2.799 0.117) 2.884 5.715 ( -1.585 0.107 -1.227) 2.007 5.753 ( -4.072 0.928 -4.038) 5.809 6.059 ( 2.471 0.068 3.680) 4.433 6.248 ( -2.320 -2.644 -2.390) 4.253 6.455 ( 2.275 -0.858 4.427) 5.051 6.549 ( -1.473 0.241 -0.615) 1.614 8.252 ( -0.035 0.583 -0.042) 0.585 8.267 ( 0.076 0.535 0.103) 0.550 10.234 ( -8.235 11.512 -4.226) 14.771 10.396 ( -10.545 6.987 -0.291) 12.653 11.330 ( -1.733 -3.218 12.794) 13.306 11.426 ( 1.019 -0.283 -1.691) 1.995 11.553 ( 3.048 -0.892 1.037) 3.341 11.664 ( -1.616 -2.077 -0.833) 2.760 11.730 ( 13.002 -6.651 -6.863) 16.136 11.906 ( 2.153 4.168 0.335) 4.703 12.006 ( 3.784 -2.051 1.098) 4.442 12.029 ( 2.134 0.840 0.014) 2.293======================= Grid point 11 (8/72) =======================q-point: ( 0.25 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.656 ( 10.480 3.253 6.016) 12.514 0.708 ( 14.894 2.203 2.814) 15.317 0.894 ( 3.786 7.027 -9.392) 12.326 0.975 ( -3.576 2.826 -1.122) 4.694 1.112 ( 0.722 -3.105 -2.866) 4.287 1.216 ( 2.968 -1.739 1.796) 3.880 1.274 ( 2.340 3.463 3.097) 5.202 1.362 ( -1.696 -0.888 -1.698) 2.559 1.439 ( 4.357 4.309 2.507) 6.622 1.502 ( 10.493 8.602 5.783) 14.749 1.573 ( 4.068 -1.130 3.353) 5.392 1.647 ( -0.243 1.246 3.564) 3.783 1.800 ( -5.711 1.266 -2.471) 6.350 1.876 ( -1.431 -1.254 -4.265) 4.671 1.989 ( 0.801 -1.987 2.117) 3.012 2.127 ( -4.066 -1.891 -4.179) 6.130 2.312 ( 0.770 -0.220 -1.225) 1.464 2.395 ( 1.884 -0.550 0.568) 2.043 2.491 ( -1.468 0.013 -0.463) 1.539 2.593 ( 0.361 -1.101 2.462) 2.721 2.675 ( 0.453 2.621 -1.455) 3.032 2.716 ( -0.851 -1.418 1.329) 2.122 2.753 ( 1.050 0.046 0.391) 1.121 2.792 ( 0.291 -1.499 -4.719) 4.959 2.845 ( -0.098 -1.638 -0.366) 1.682 2.913 ( -0.323 2.156 -1.343) 2.560 3.019 ( 0.082 2.903 -3.082) 4.235 3.056 ( 0.056 0.537 -0.427) 0.689 3.065 ( -2.278 2.340 -0.756) 3.352 3.192 ( 1.277 -1.420 3.334) 3.842 3.209 ( 3.256 -3.471 -1.914) 5.130 3.224 ( -0.192 -0.327 -0.823) 0.906 3.238 ( -0.655 -1.206 5.176) 5.355 3.311 ( 2.935 2.530 -1.295) 4.085 3.342 ( 1.453 1.514 0.622) 2.189 3.409 ( 0.102 -2.232 -0.990) 2.444 3.483 ( 1.094 0.681 -0.504) 1.384 3.554 ( -1.567 0.691 0.891) 1.930 3.567 ( 3.515 3.512 -1.343) 5.147 3.727 ( -0.936 3.233 -0.401) 3.389 3.756 ( 0.041 0.159 -1.795) 1.802 3.782 ( -2.032 -0.587 1.992) 2.905 3.828 ( -1.392 -0.170 -4.419) 4.636 3.884 ( 0.004 1.959 -0.294) 1.981 3.918 ( -2.321 1.563 2.531) 3.773 4.024 ( -0.290 -1.701 0.150) 1.732 4.167 ( 2.055 0.312 0.782) 2.221 4.223 ( -1.353 2.223 1.131) 2.837 4.264 ( 4.785 1.116 -0.501) 4.939 4.299 ( 1.947 1.315 2.090) 3.145 4.419 ( 1.536 -3.561 1.208) 4.062 4.557 ( -0.617 -1.222 -1.862) 2.310 4.579 ( 1.087 -2.715 -0.782) 3.027 4.636 ( 2.189 -0.762 0.969) 2.512 4.780 ( -2.295 1.598 3.468) 4.455 4.812 ( 1.202 1.409 1.889) 2.646 4.876 ( -0.142 1.135 2.921) 3.137 4.952 ( -2.362 -2.606 -0.526) 3.556 4.990 ( -2.738 -1.686 -1.736) 3.654 5.074 ( -3.314 -0.214 0.108) 3.323 5.102 ( -1.886 1.348 -4.428) 4.998 5.181 ( -2.004 -2.241 2.202) 3.726 5.221 ( -0.504 -2.178 -0.519) 2.295 5.359 ( 1.948 -2.774 0.020) 3.390 5.377 ( -1.980 -5.068 -0.470) 5.461 5.474 ( -0.340 -2.927 0.444) 2.980 5.660 ( -2.586 1.078 -3.191) 4.246 5.671 ( -2.201 -1.800 -0.937) 2.994 6.129 ( 0.748 -0.891 2.263) 2.545 6.183 ( -2.065 -0.633 -1.255) 2.498 6.505 ( -0.230 -0.533 0.430) 0.722 6.524 ( -0.511 -0.492 1.359) 1.533 8.252 ( 0.097 0.573 -0.040) 0.582 8.269 ( 0.042 0.602 0.096) 0.611 10.102 ( -5.520 8.999 0.371) 10.564 10.243 ( -7.742 5.057 -1.434) 9.358 11.390 ( -0.441 -0.469 6.092) 6.126 11.437 ( 2.841 -1.044 -3.448) 4.587 11.610 ( -1.883 -0.727 0.033) 2.019 11.622 ( 1.895 -2.215 0.275) 2.928 11.844 ( 6.922 -3.936 -2.646) 8.391 11.959 ( 2.710 3.243 1.236) 4.403 12.056 ( 1.727 2.606 -1.405) 3.427 12.079 ( 3.147 -2.980 1.614) 4.625======================= Grid point 12 (9/72) =======================q-point: ( 0.38 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.788 ( 0.903 3.565 1.924) 4.150 0.885 ( 1.404 7.076 -4.503) 8.504 0.970 ( 11.681 2.281 1.810) 12.038 1.025 ( 8.984 -0.361 6.084) 10.856 1.121 ( 2.281 3.555 0.589) 4.265 1.228 ( -3.323 -0.542 -2.509) 4.199 1.283 ( -0.385 -1.494 0.653) 1.675 1.314 ( -1.452 -0.737 1.524) 2.230 1.403 ( -1.562 9.972 -10.865) 14.830 1.535 ( -6.268 -4.573 -6.638) 10.211 1.667 ( 0.864 0.800 6.728) 6.831 1.711 ( 2.521 5.203 4.843) 7.542 1.835 ( 2.915 -5.034 2.571) 6.360 1.967 ( 9.855 4.259 7.239) 12.949 2.015 ( -0.270 -1.575 -4.477) 4.754 2.075 ( 0.881 1.226 6.406) 6.581 2.270 ( -2.134 1.697 -4.940) 5.642 2.362 ( 0.136 -2.747 -3.797) 4.688 2.511 ( -0.497 2.778 1.784) 3.339 2.620 ( 0.615 -4.413 1.281) 4.637 2.683 ( 1.672 -0.240 -1.578) 2.311 2.686 ( -3.074 0.140 2.263) 3.820 2.740 ( -0.136 1.252 -4.087) 4.276 2.787 ( 0.260 -0.172 0.645) 0.717 2.829 ( -3.303 0.584 -0.688) 3.424 2.853 ( -0.365 3.185 -2.570) 4.109 2.955 ( -0.971 4.250 -6.226) 7.601 3.033 ( -1.465 3.478 0.875) 3.874 3.042 ( -1.146 1.865 0.125) 2.192 3.208 ( -0.142 0.115 -2.318) 2.325 3.226 ( 1.119 -2.111 -0.135) 2.393 3.247 ( 1.759 -1.510 0.230) 2.330 3.295 ( -0.297 -1.918 6.128) 6.428 3.373 ( 2.302 -1.645 3.100) 4.197 3.391 ( 2.656 -3.223 -2.172) 4.708 3.453 ( 4.448 0.514 1.743) 4.805 3.513 ( 2.771 0.598 0.249) 2.846 3.549 ( 0.218 0.681 3.139) 3.220 3.627 ( 3.460 1.407 -0.333) 3.750 3.652 ( -3.683 1.748 -2.798) 4.945 3.705 ( -2.649 1.035 -1.992) 3.473 3.760 ( -3.377 -1.970 -0.440) 3.935 3.790 ( 0.107 -2.449 0.186) 2.458 3.906 ( -0.091 3.259 4.289) 5.388 3.933 ( 0.701 2.415 1.604) 2.983 4.041 ( 1.106 -0.882 0.951) 1.705 4.142 ( -2.654 -1.031 -4.084) 4.979 4.187 ( -1.759 2.076 -2.246) 3.528 4.299 ( 2.304 2.212 -0.051) 3.195 4.398 ( 0.971 -1.558 2.554) 3.145 4.450 ( 3.175 0.163 0.593) 3.234 4.535 ( 0.564 -0.067 -0.392) 0.690 4.594 ( 0.358 -1.902 -0.374) 1.972 4.689 ( 1.015 -2.087 1.814) 2.946 4.748 ( -0.397 2.095 -0.391) 2.168 4.833 ( -0.975 -0.648 0.304) 1.209 4.873 ( -1.472 0.249 0.770) 1.680 4.922 ( -1.732 -3.968 -1.984) 4.763 4.980 ( 1.590 -0.665 2.975) 3.438 5.026 ( -1.491 -0.118 -1.070) 1.839 5.048 ( -0.227 0.412 -0.813) 0.940 5.155 ( -3.497 -1.999 2.897) 4.962 5.217 ( 1.872 -4.407 -4.122) 6.318 5.305 ( -4.399 -4.104 -1.625) 6.232 5.401 ( 1.836 -1.998 0.687) 2.799 5.471 ( -0.501 -3.228 0.574) 3.317 5.589 ( -2.790 3.276 -1.899) 4.703 5.657 ( 0.628 -3.773 0.539) 3.863 6.085 ( -2.618 -0.187 -2.622) 3.711 6.192 ( -0.145 -0.409 2.326) 2.366 6.492 ( -0.144 0.106 -0.583) 0.610 6.534 ( -0.359 -0.805 1.041) 1.365 8.254 ( 0.148 0.580 -0.030) 0.599 8.270 ( 0.020 0.539 0.060) 0.543 10.040 ( -2.813 6.626 0.950) 7.261 10.118 ( -4.980 5.226 -1.283) 7.332 11.434 ( 0.635 -0.079 2.621) 2.698 11.454 ( 2.474 -1.983 -2.721) 4.178 11.562 ( -2.126 2.443 -0.378) 3.261 11.664 ( 1.633 -4.172 0.123) 4.482 11.921 ( 3.521 -2.278 -0.057) 4.194 12.008 ( 1.707 2.328 0.994) 3.053 12.064 ( 0.846 3.798 -1.338) 4.115 12.135 ( 1.631 -3.281 1.409) 3.926======================= Grid point 13 (10/72) =======================q-point: (-0.50 0.14 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( -0.000 3.998 0.000) 3.998 0.861 ( -0.000 7.759 0.000) 7.759 1.107 ( -0.000 4.123 -0.000) 4.123 1.175 ( -0.000 1.689 0.000) 1.689 1.196 ( 0.000 0.190 0.000) 0.190 1.211 ( 0.000 6.173 -0.000) 6.173 1.217 ( -0.000 -4.728 -0.000) 4.728 1.293 ( 0.000 6.489 0.000) 6.489 1.334 ( 0.000 -1.777 0.000) 1.777 1.385 ( -0.000 -2.780 -0.000) 2.780 1.722 ( -0.000 0.613 0.000) 0.613 1.745 ( 0.000 2.892 0.000) 2.892 1.890 ( -0.000 -3.349 0.000) 3.349 1.967 ( 0.000 -1.790 0.000) 1.790 2.120 ( -0.000 -2.947 0.000) 2.947 2.157 ( -0.000 3.582 -0.000) 3.582 2.171 ( 0.000 2.084 0.000) 2.084 2.374 ( -0.000 1.679 -0.000) 1.679 2.507 ( 0.000 2.416 0.000) 2.416 2.630 ( -0.000 -5.021 -0.000) 5.021 2.662 ( 0.000 -1.117 0.000) 1.117 2.694 ( -0.000 1.119 -0.000) 1.119 2.720 ( 0.000 2.081 0.000) 2.081 2.750 ( -0.000 0.986 -0.000) 0.986 2.808 ( 0.000 2.842 -0.000) 2.842 2.847 ( 0.000 1.926 0.000) 1.926 2.919 ( 0.000 5.086 0.000) 5.086 3.027 ( -0.000 0.225 -0.000) 0.225 3.028 ( 0.000 4.491 0.000) 4.491 3.191 ( 0.000 0.757 0.000) 0.757 3.232 ( 0.000 -0.224 0.000) 0.224 3.263 ( 0.000 -1.708 -0.000) 1.708 3.340 ( 0.000 -2.430 -0.000) 2.430 3.370 ( 0.000 -4.524 0.000) 4.524 3.419 ( 0.000 0.183 0.000) 0.183 3.513 ( -0.000 -1.566 0.000) 1.566 3.549 ( 0.000 0.391 0.000) 0.391 3.572 ( -0.000 2.180 -0.000) 2.180 3.621 ( 0.000 2.306 -0.000) 2.306 3.659 ( 0.000 0.108 0.000) 0.108 3.670 ( 0.000 0.407 0.000) 0.407 3.718 ( 0.000 -5.580 0.000) 5.580 3.790 ( 0.000 -3.252 0.000) 3.252 3.939 ( -0.000 0.969 -0.000) 0.969 3.965 ( -0.000 5.601 -0.000) 5.601 4.007 ( 0.000 -3.679 0.000) 3.679 4.118 ( -0.000 4.010 -0.000) 4.010 4.141 ( 0.000 0.329 0.000) 0.329 4.331 ( 0.000 3.145 0.000) 3.145 4.384 ( 0.000 -0.356 0.000) 0.356 4.511 ( -0.000 1.782 -0.000) 1.782 4.550 ( 0.000 -1.251 0.000) 1.251 4.574 ( 0.000 -2.984 0.000) 2.984 4.708 ( -0.000 0.356 0.000) 0.356 4.756 ( 0.000 -2.919 0.000) 2.919 4.814 ( 0.000 0.057 0.000) 0.057 4.866 ( 0.000 0.417 0.000) 0.417 4.892 ( 0.000 -3.812 0.000) 3.812 5.003 ( 0.000 -0.173 -0.000) 0.173 5.010 ( -0.000 -0.936 0.000) 0.936 5.080 ( 0.000 -2.660 0.000) 2.660 5.135 ( 0.000 -1.290 0.000) 1.290 5.193 ( 0.000 -7.011 -0.000) 7.011 5.251 ( 0.000 -0.784 -0.000) 0.784 5.423 ( 0.000 -0.801 0.000) 0.801 5.469 ( -0.000 -3.457 0.000) 3.457 5.551 ( 0.000 3.817 0.000) 3.817 5.673 ( 0.000 -4.717 0.000) 4.717 6.044 ( 0.000 0.719 0.000) 0.719 6.201 ( 0.000 -0.598 0.000) 0.598 6.489 ( 0.000 -0.043 0.000) 0.043 6.535 ( 0.000 -0.517 0.000) 0.517 8.256 ( 0.000 0.580 0.000) 0.580 8.270 ( 0.000 0.480 0.000) 0.480 10.022 ( 0.000 6.025 0.000) 6.025 10.068 ( 0.000 5.273 0.000) 5.273 11.454 ( 0.000 0.170 0.000) 0.170 11.462 ( 0.000 -3.221 0.000) 3.221 11.541 ( 0.000 3.797 -0.000) 3.797 11.678 ( 0.000 -4.270 0.000) 4.270 11.952 ( 0.000 -1.794 0.000) 1.794 12.028 ( 0.000 1.686 0.000) 1.686 12.064 ( 0.000 4.194 0.000) 4.194 12.156 ( 0.000 -3.210 0.000) 3.210======================= Grid point 18 (11/72) =======================q-point: ( 0.00 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.408 ( 0.000 11.249 0.000) 11.249 0.743 ( 0.000 16.499 0.000) 16.499 0.951 ( 0.000 -2.989 0.000) 2.989 1.032 ( 0.000 -0.364 0.000) 0.364 1.119 ( 0.000 -2.449 0.000) 2.449 1.136 ( 0.000 1.270 0.000) 1.270 1.239 ( 0.000 10.244 0.000) 10.244 1.287 ( 0.000 4.698 0.000) 4.698 1.408 ( 0.000 1.047 0.000) 1.047 1.418 ( 0.000 1.504 0.000) 1.504 1.459 ( 0.000 1.447 0.000) 1.447 1.475 ( 0.000 -2.929 0.000) 2.929 1.756 ( 0.000 -7.438 0.000) 7.438 1.962 ( 0.000 -2.972 0.000) 2.972 2.126 ( 0.000 -4.650 0.000) 4.650 2.219 ( 0.000 0.208 0.000) 0.208 2.367 ( 0.000 7.724 0.000) 7.724 2.377 ( 0.000 2.548 0.000) 2.548 2.483 ( 0.000 -3.246 0.000) 3.246 2.608 ( 0.000 -5.083 0.000) 5.083 2.653 ( 0.000 -1.224 0.000) 1.224 2.694 ( 0.000 -0.758 0.000) 0.758 2.735 ( 0.000 -1.466 0.000) 1.466 2.781 ( 0.000 -1.874 0.000) 1.874 2.818 ( 0.000 2.880 0.000) 2.880 2.888 ( 0.000 2.105 0.000) 2.105 3.065 ( 0.000 5.608 0.000) 5.608 3.089 ( 0.000 1.448 0.000) 1.448 3.111 ( 0.000 3.189 0.000) 3.189 3.141 ( 0.000 4.464 0.000) 4.464 3.161 ( 0.000 1.511 0.000) 1.511 3.258 ( 0.000 0.135 0.000) 0.135 3.313 ( 0.000 -0.004 0.000) 0.004 3.341 ( 0.000 -0.696 0.000) 0.696 3.389 ( 0.000 0.747 0.000) 0.747 3.456 ( 0.000 1.917 0.000) 1.917 3.497 ( 0.000 1.660 0.000) 1.660 3.523 ( 0.000 2.215 0.000) 2.215 3.628 ( 0.000 1.242 0.000) 1.242 3.695 ( 0.000 -5.699 0.000) 5.699 3.707 ( 0.000 0.165 0.000) 0.165 3.839 ( 0.000 1.419 0.000) 1.419 3.860 ( 0.000 -1.431 0.000) 1.431 3.964 ( 0.000 -1.652 0.000) 1.652 3.977 ( 0.000 2.880 0.000) 2.880 3.984 ( 0.000 -0.989 0.000) 0.989 4.093 ( 0.000 3.052 0.000) 3.052 4.179 ( 0.000 -0.487 0.000) 0.487 4.235 ( 0.000 -1.304 0.000) 1.304 4.305 ( 0.000 -3.274 0.000) 3.274 4.354 ( 0.000 3.985 0.000) 3.985 4.519 ( 0.000 -0.443 0.000) 0.443 4.557 ( 0.000 0.949 0.000) 0.949 4.638 ( 0.000 -1.284 0.000) 1.284 4.692 ( 0.000 0.232 0.000) 0.232 4.759 ( 0.000 3.329 0.000) 3.329 4.916 ( 0.000 0.938 0.000) 0.938 5.017 ( 0.000 -1.764 0.000) 1.764 5.018 ( 0.000 -4.493 0.000) 4.493 5.048 ( 0.000 -2.733 0.000) 2.733 5.128 ( 0.000 -1.727 0.000) 1.727 5.128 ( 0.000 -1.392 0.000) 1.392 5.236 ( 0.000 -3.759 0.000) 3.759 5.258 ( 0.000 -2.291 0.000) 2.291 5.371 ( 0.000 -4.326 0.000) 4.326 5.390 ( 0.000 -2.613 0.000) 2.613 5.745 ( 0.000 1.306 0.000) 1.306 5.845 ( 0.000 0.141 0.000) 0.141 6.033 ( 0.000 1.247 0.000) 1.247 6.212 ( 0.000 -3.816 0.000) 3.816 6.438 ( 0.000 2.633 0.000) 2.633 6.561 ( 0.000 -0.771 0.000) 0.771 8.268 ( 0.000 0.790 0.000) 0.790 8.276 ( 0.000 0.548 0.000) 0.548 10.465 ( 0.000 6.304 0.000) 6.304 10.663 ( 0.000 0.314 0.000) 0.314 11.213 ( 0.000 2.811 0.000) 2.811 11.406 ( 0.000 -2.801 0.000) 2.801 11.544 ( 0.000 0.879 0.000) 0.879 11.575 ( 0.000 0.534 0.000) 0.534 11.683 ( 0.000 2.306 0.000) 2.306 11.910 ( 0.000 -3.227 0.000) 3.227 11.975 ( 0.000 3.488 0.000) 3.488 12.022 ( 0.000 1.095 0.000) 1.095======================= Grid point 19 (12/72) =======================q-point: ( 0.12 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.525 ( 12.852 7.922 -1.655) 15.188 0.765 ( 2.708 15.731 0.297) 15.965 0.989 ( 4.922 -1.170 -1.626) 5.314 1.043 ( 1.412 2.025 -0.287) 2.485 1.067 ( -1.945 -0.990 -0.258) 2.197 1.155 ( 0.973 -2.064 -2.935) 3.718 1.293 ( 2.282 4.600 4.597) 6.892 1.346 ( 0.814 0.300 -2.406) 2.557 1.422 ( 3.910 3.768 1.055) 5.532 1.425 ( 1.352 0.764 4.669) 4.921 1.487 ( 3.148 5.022 6.128) 8.525 1.560 ( 6.783 -1.196 0.765) 6.930 1.777 ( 0.415 -5.864 2.059) 6.229 1.936 ( -2.487 -0.816 1.152) 2.860 2.119 ( -2.605 0.678 -4.112) 4.915 2.158 ( 0.030 -1.517 -6.046) 6.233 2.317 ( -1.435 3.650 -2.103) 4.450 2.400 ( -1.099 3.339 3.613) 5.041 2.473 ( -1.433 -3.794 -1.394) 4.289 2.569 ( -2.016 -3.109 -1.315) 3.932 2.676 ( 1.859 -1.568 0.988) 2.626 2.702 ( 1.509 -2.123 -0.140) 2.608 2.725 ( 0.877 0.900 -0.826) 1.504 2.808 ( -1.395 2.489 0.454) 2.889 2.813 ( 2.235 -1.981 -1.899) 3.539 2.904 ( 1.958 0.668 -0.445) 2.116 3.074 ( -0.700 1.484 -1.655) 2.331 3.091 ( 1.077 3.251 0.558) 3.470 3.118 ( 0.017 3.863 1.157) 4.033 3.126 ( 0.274 1.700 0.664) 1.845 3.175 ( -0.424 1.034 1.068) 1.545 3.247 ( -1.761 -0.161 1.221) 2.149 3.271 ( -3.258 0.526 -0.530) 3.343 3.328 ( 0.107 0.577 -1.909) 1.997 3.393 ( -0.588 -0.714 0.151) 0.937 3.453 ( -2.264 2.775 -6.622) 7.528 3.484 ( 1.644 1.182 0.476) 2.080 3.546 ( 2.619 1.346 2.310) 3.743 3.628 ( -1.620 0.659 -0.733) 1.897 3.674 ( 3.609 0.133 2.066) 4.161 3.754 ( 0.557 -1.193 3.053) 3.325 3.821 ( -0.663 -0.146 -3.181) 3.253 3.870 ( -0.540 -0.007 0.962) 1.103 3.929 ( -1.216 1.656 -2.230) 3.032 3.964 ( -0.537 -4.398 -1.408) 4.649 3.998 ( -2.285 0.346 -0.425) 2.350 4.136 ( 1.846 2.385 1.920) 3.575 4.172 ( 4.305 1.447 3.694) 5.854 4.267 ( -0.543 0.823 0.611) 1.160 4.318 ( 1.410 -3.198 0.146) 3.498 4.362 ( 1.452 3.715 -1.358) 4.213 4.517 ( 1.264 -0.651 -1.856) 2.337 4.555 ( -0.179 0.284 -0.276) 0.435 4.627 ( -1.866 -2.685 0.697) 3.343 4.689 ( 1.494 0.468 1.141) 1.937 4.817 ( 2.627 1.989 3.573) 4.860 4.899 ( -2.421 0.674 1.352) 2.853 4.965 ( -1.910 -4.420 -4.021) 6.273 5.021 ( -2.510 -0.756 1.655) 3.100 5.062 ( -0.123 -1.792 3.083) 3.568 5.112 ( 1.406 -2.266 -4.006) 4.812 5.160 ( -1.047 -0.479 4.357) 4.506 5.222 ( -0.255 -3.773 -1.866) 4.216 5.256 ( -1.695 -2.131 2.533) 3.719 5.351 ( -2.633 -2.972 0.490) 4.001 5.390 ( 0.493 -4.648 -0.523) 4.703 5.721 ( -2.015 0.518 -1.351) 2.480 5.766 ( -5.830 0.250 -4.139) 7.154 6.065 ( 1.946 0.710 2.608) 3.330 6.192 ( -0.945 -2.915 -1.903) 3.607 6.461 ( 1.196 1.195 1.813) 2.479 6.547 ( -1.156 -0.581 -0.677) 1.460 8.267 ( -0.078 0.820 0.041) 0.825 8.279 ( 0.153 0.580 0.168) 0.623 10.408 ( -5.476 7.085 -1.580) 9.093 10.525 ( -10.125 4.666 -2.477) 11.420 11.285 ( 2.297 -0.685 5.649) 6.136 11.401 ( 0.028 -2.431 -0.598) 2.503 11.551 ( 2.120 0.924 -0.908) 2.485 11.649 ( 5.880 -0.994 -1.446) 6.137 11.685 ( 0.911 1.939 0.953) 2.344 11.938 ( 2.983 -3.939 -0.149) 4.943 11.990 ( 1.611 3.553 0.263) 3.910 12.052 ( 2.746 1.084 0.521) 2.998======================= Grid point 20 (13/72) =======================q-point: ( 0.25 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.743 ( 13.053 4.221 -1.325) 13.782 0.845 ( 5.092 11.080 2.807) 12.513 1.038 ( -0.128 1.892 -1.530) 2.437 1.050 ( 0.904 4.273 0.551) 4.402 1.103 ( 7.008 4.437 0.943) 8.348 1.181 ( 4.512 -0.096 -0.320) 4.525 1.299 ( -2.548 -2.464 -2.542) 4.361 1.321 ( -1.451 1.132 -0.336) 1.870 1.475 ( 4.998 -0.307 -1.399) 5.199 1.530 ( 2.503 -1.910 5.216) 6.092 1.640 ( 3.402 -3.728 5.721) 7.629 1.680 ( 4.119 -1.304 -3.855) 5.790 1.817 ( 3.079 10.575 6.612) 12.847 1.968 ( -2.811 6.574 -6.209) 9.469 1.984 ( 3.639 1.468 4.946) 6.313 2.104 ( -1.984 -0.105 -5.518) 5.865 2.304 ( 0.016 -0.213 -0.607) 0.643 2.368 ( -3.450 -1.614 -1.320) 4.031 2.470 ( 2.347 -2.834 0.681) 3.742 2.543 ( -0.973 -2.092 1.125) 2.567 2.681 ( -1.381 -1.694 0.456) 2.233 2.744 ( 2.132 0.667 -0.869) 2.397 2.762 ( 0.832 -0.124 0.940) 1.262 2.789 ( 1.315 2.330 -0.857) 2.810 2.810 ( -0.182 -0.675 -1.056) 1.266 2.924 ( 1.577 -1.049 -2.611) 3.226 3.053 ( 0.443 0.755 -2.598) 2.741 3.086 ( -1.420 1.374 -0.464) 2.030 3.118 ( -1.648 0.505 -0.341) 1.757 3.154 ( 1.064 1.685 3.541) 4.063 3.180 ( -1.090 -0.306 2.036) 2.329 3.206 ( -0.453 0.012 0.126) 0.470 3.244 ( -1.050 0.396 1.893) 2.200 3.330 ( 1.351 -0.457 -1.916) 2.388 3.344 ( -0.338 -0.178 -2.392) 2.422 3.438 ( 0.985 3.508 1.350) 3.886 3.510 ( 1.426 2.424 -0.405) 2.841 3.576 ( -0.877 1.432 1.089) 2.001 3.626 ( 1.651 1.811 -0.542) 2.510 3.730 ( -1.155 -1.642 1.012) 2.248 3.763 ( 0.500 0.463 -2.286) 2.385 3.785 ( -2.212 -0.917 -1.329) 2.739 3.834 ( -2.479 0.663 -3.571) 4.397 3.908 ( -0.369 -0.859 1.068) 1.419 3.919 ( -2.010 -0.804 2.640) 3.414 3.977 ( 0.715 -1.818 0.220) 1.966 4.193 ( 0.829 2.232 -0.515) 2.435 4.259 ( -1.164 1.119 3.232) 3.613 4.294 ( 4.953 1.236 3.410) 6.139 4.324 ( 0.683 0.138 -1.746) 1.880 4.386 ( 3.091 1.801 -0.779) 3.661 4.536 ( 1.814 -0.209 -1.014) 2.089 4.542 ( 1.305 -1.066 -2.489) 3.006 4.621 ( -0.144 -1.131 1.803) 2.133 4.741 ( 1.321 -2.890 2.544) 4.071 4.854 ( -1.866 0.870 0.382) 2.093 4.882 ( -1.620 -3.070 -0.449) 3.500 4.910 ( 0.739 -0.503 0.054) 0.895 4.969 ( -3.939 1.166 -0.246) 4.115 5.072 ( -2.495 0.155 2.487) 3.527 5.093 ( 0.717 -2.574 -3.767) 4.618 5.149 ( -2.650 -0.826 1.190) 3.020 5.181 ( -2.927 -1.351 -3.102) 4.474 5.271 ( -0.296 -3.812 4.092) 5.600 5.311 ( -1.732 -2.819 0.063) 3.309 5.390 ( -0.717 -5.050 0.877) 5.175 5.633 ( -4.276 -1.247 -2.674) 5.195 5.666 ( -2.894 -0.918 -1.194) 3.262 6.115 ( 0.503 -0.411 1.034) 1.221 6.159 ( -0.736 -1.616 -0.578) 1.868 6.495 ( 0.744 -0.156 1.203) 1.423 6.519 ( -0.970 -0.280 -0.709) 1.234 8.267 ( 0.066 0.861 0.033) 0.864 8.282 ( 0.027 0.604 0.111) 0.615 10.282 ( -6.797 8.027 -0.926) 10.559 10.356 ( -7.984 5.358 -1.165) 9.685 11.358 ( 1.418 -2.127 3.238) 4.125 11.399 ( 0.657 -2.552 -0.909) 2.787 11.590 ( 2.821 1.030 -0.119) 3.005 11.660 ( 0.101 3.891 -1.626) 4.219 11.778 ( 5.659 -2.908 1.032) 6.446 11.985 ( 1.829 -4.733 0.567) 5.106 12.036 ( 3.525 3.202 0.200) 4.767 12.102 ( 2.602 1.477 -0.152) 2.996======================= Grid point 21 (14/72) =======================q-point: ( 0.38 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.883 ( 4.157 4.881 0.086) 6.412 0.989 ( 6.373 3.878 3.404) 8.200 1.039 ( 1.959 4.312 0.172) 4.739 1.093 ( 4.290 5.540 1.674) 7.204 1.210 ( -1.582 -0.639 -2.645) 3.148 1.237 ( -0.448 -2.369 0.610) 2.487 1.277 ( 7.595 10.519 2.884) 13.291 1.309 ( 0.289 1.218 2.235) 2.562 1.427 ( -3.228 -5.472 -9.065) 11.069 1.606 ( 2.822 6.819 -6.248) 9.670 1.681 ( 1.204 -1.255 2.563) 3.098 1.740 ( -3.049 0.152 3.605) 4.724 1.799 ( 2.428 2.345 1.002) 3.521 2.012 ( 0.705 1.499 -3.209) 3.612 2.028 ( 2.903 0.572 -0.907) 3.094 2.111 ( 1.524 1.933 5.341) 5.881 2.285 ( -2.294 -0.262 -1.711) 2.874 2.353 ( 3.498 2.205 1.358) 4.352 2.485 ( 0.016 -5.236 1.858) 5.556 2.570 ( 0.774 0.268 0.462) 0.940 2.650 ( -0.998 -1.208 -0.516) 1.650 2.742 ( -2.550 3.404 1.080) 4.388 2.772 ( 1.797 -0.057 -1.257) 2.194 2.795 ( 0.435 2.501 0.833) 2.672 2.816 ( -0.223 -1.798 -0.720) 1.950 2.901 ( -0.439 0.744 -3.389) 3.497 3.032 ( 0.236 3.355 -2.257) 4.051 3.055 ( -1.805 0.886 0.289) 2.031 3.096 ( -0.370 -2.184 0.138) 2.219 3.188 ( 2.259 3.016 -1.472) 4.046 3.201 ( -0.405 -0.683 2.428) 2.555 3.247 ( 0.539 0.952 2.508) 2.737 3.276 ( 2.848 -0.967 3.940) 4.957 3.318 ( 0.754 -1.891 -0.060) 2.037 3.368 ( 1.794 -0.172 -0.049) 1.803 3.463 ( 1.532 0.690 0.232) 1.697 3.533 ( 0.591 1.654 -2.270) 2.870 3.568 ( 0.327 1.211 3.266) 3.499 3.653 ( 0.892 0.631 0.686) 1.290 3.666 ( -4.822 -0.412 -1.933) 5.211 3.709 ( -2.148 -1.054 -1.704) 2.937 3.745 ( -3.454 -0.378 -1.690) 3.864 3.760 ( 0.090 0.603 -2.295) 2.374 3.888 ( -2.690 -4.475 -0.093) 5.222 3.964 ( 1.089 -0.466 2.637) 2.891 4.005 ( 1.465 -1.600 1.270) 2.514 4.170 ( -0.564 3.274 -1.119) 3.505 4.247 ( -1.202 3.414 -1.193) 3.811 4.348 ( 2.076 1.982 1.191) 3.108 4.386 ( 1.460 0.243 2.635) 3.022 4.451 ( 4.338 0.448 1.182) 4.519 4.525 ( 0.244 -0.370 -2.388) 2.429 4.572 ( 1.413 -1.062 -1.042) 2.052 4.649 ( 1.116 -1.312 2.427) 2.976 4.748 ( -1.627 -1.426 -0.387) 2.198 4.816 ( -0.993 -3.640 -1.765) 4.166 4.838 ( -1.481 -0.523 -1.306) 2.043 4.906 ( -2.302 2.626 -0.743) 3.570 4.957 ( 2.029 -1.784 2.236) 3.507 5.033 ( -2.751 0.623 0.327) 2.839 5.066 ( -0.851 0.843 -3.620) 3.813 5.089 ( -2.952 -5.434 -1.275) 6.314 5.116 ( -1.921 -2.568 -0.191) 3.212 5.258 ( -2.181 -1.299 0.459) 2.580 5.335 ( 1.406 -4.699 2.208) 5.379 5.384 ( -1.067 -5.135 0.946) 5.330 5.586 ( -0.538 -2.275 0.226) 2.348 5.616 ( -2.086 -0.663 -0.121) 2.192 6.088 ( -1.429 0.417 -1.954) 2.457 6.167 ( -0.168 -1.918 1.551) 2.472 6.494 ( -0.197 0.147 -0.727) 0.768 6.518 ( 0.148 -0.721 0.665) 0.992 8.269 ( 0.124 0.834 -0.028) 0.844 8.282 ( -0.062 0.568 0.023) 0.572 10.188 ( -3.687 7.218 0.015) 8.105 10.235 ( -5.038 5.597 -0.696) 7.562 11.390 ( 1.114 -2.974 -0.865) 3.291 11.411 ( 0.424 -2.862 1.336) 3.187 11.633 ( 2.005 1.596 0.076) 2.564 11.647 ( -0.017 5.500 -1.032) 5.596 11.865 ( 3.277 -3.423 0.923) 4.828 12.010 ( 0.768 -4.219 0.391) 4.306 12.095 ( 2.656 1.796 0.353) 3.225 12.131 ( 1.093 2.186 -0.403) 2.477======================= Grid point 22 (15/72) =======================q-point: (-0.50 0.29 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.915 ( -0.000 6.007 0.000) 6.007 1.024 ( -0.000 6.665 -0.000) 6.665 1.141 ( 0.000 -2.190 0.000) 2.190 1.153 ( -0.000 1.891 -0.000) 1.891 1.182 ( -0.000 1.596 0.000) 1.596 1.212 ( 0.000 1.269 0.000) 1.269 1.278 ( -0.000 -2.956 -0.000) 2.956 1.346 ( 0.000 -0.334 -0.000) 0.334 1.465 ( -0.000 10.092 -0.000) 10.092 1.473 ( 0.000 14.397 0.000) 14.397 1.711 ( 0.000 -4.221 0.000) 4.221 1.742 ( -0.000 1.231 0.000) 1.231 1.866 ( 0.000 -0.444 0.000) 0.444 1.986 ( 0.000 3.689 -0.000) 3.689 2.028 ( -0.000 -6.032 0.000) 6.032 2.197 ( -0.000 -0.338 -0.000) 0.338 2.215 ( 0.000 2.346 0.000) 2.346 2.388 ( -0.000 -2.070 0.000) 2.070 2.542 ( -0.000 -1.909 -0.000) 1.909 2.553 ( 0.000 1.712 0.000) 1.712 2.644 ( 0.000 -0.597 0.000) 0.597 2.720 ( 0.000 2.203 -0.000) 2.203 2.772 ( 0.000 3.170 0.000) 3.170 2.797 ( 0.000 1.535 -0.000) 1.535 2.850 ( -0.000 -1.096 -0.000) 1.096 2.850 ( 0.000 0.692 0.000) 0.692 3.028 ( 0.000 5.697 -0.000) 5.697 3.039 ( 0.000 0.765 0.000) 0.765 3.092 ( 0.000 -1.760 0.000) 1.760 3.195 ( 0.000 -0.855 -0.000) 0.855 3.216 ( -0.000 3.302 0.000) 3.302 3.266 ( 0.000 1.361 0.000) 1.361 3.304 ( 0.000 -1.606 -0.000) 1.606 3.346 ( 0.000 2.387 0.000) 2.387 3.414 ( -0.000 -0.684 0.000) 0.684 3.455 ( -0.000 -3.652 0.000) 3.652 3.557 ( 0.000 0.421 0.000) 0.421 3.558 ( -0.000 -3.392 -0.000) 3.392 3.633 ( -0.000 0.719 0.000) 0.719 3.669 ( 0.000 0.235 0.000) 0.235 3.678 ( 0.000 -0.542 0.000) 0.542 3.689 ( 0.000 1.809 -0.000) 1.809 3.753 ( 0.000 -0.142 0.000) 0.142 3.846 ( 0.000 -7.216 -0.000) 7.216 3.983 ( 0.000 -0.981 0.000) 0.981 4.027 ( -0.000 -0.083 -0.000) 0.083 4.168 ( -0.000 2.821 -0.000) 2.821 4.226 ( 0.000 5.866 0.000) 5.866 4.387 ( 0.000 0.604 0.000) 0.604 4.397 ( -0.000 2.833 0.000) 2.833 4.505 ( 0.000 -1.112 0.000) 1.112 4.512 ( 0.000 -1.872 -0.000) 1.872 4.568 ( -0.000 0.619 0.000) 0.619 4.687 ( 0.000 -3.839 0.000) 3.839 4.715 ( -0.000 1.678 -0.000) 1.678 4.797 ( 0.000 -4.717 0.000) 4.717 4.817 ( 0.000 0.132 0.000) 0.132 4.885 ( 0.000 2.160 0.000) 2.160 5.005 ( -0.000 -0.812 0.000) 0.812 5.007 ( 0.000 -0.305 -0.000) 0.305 5.010 ( -0.000 -3.404 -0.000) 3.404 5.078 ( 0.000 -4.393 -0.000) 4.393 5.089 ( -0.000 -1.800 0.000) 1.800 5.240 ( 0.000 -0.505 0.000) 0.505 5.366 ( 0.000 -5.084 0.000) 5.084 5.372 ( -0.000 -5.904 0.000) 5.904 5.593 ( -0.000 0.506 -0.000) 0.506 5.593 ( 0.000 -2.430 0.000) 2.430 6.063 ( 0.000 1.090 0.000) 1.090 6.172 ( 0.000 -2.151 0.000) 2.151 6.489 ( 0.000 0.126 0.000) 0.126 6.523 ( 0.000 -0.699 0.000) 0.699 8.270 ( 0.000 0.807 0.000) 0.807 8.281 ( -0.000 0.528 0.000) 0.528 10.159 ( 0.000 6.749 0.000) 6.749 10.186 ( -0.000 5.752 -0.000) 5.752 11.394 ( 0.000 -3.159 0.000) 3.159 11.423 ( 0.000 -3.204 0.000) 3.204 11.641 ( 0.000 5.604 0.000) 5.604 11.652 ( 0.000 2.434 0.000) 2.434 11.897 ( 0.000 -3.566 0.000) 3.566 12.019 ( 0.000 -4.150 0.000) 4.150 12.121 ( 0.000 1.166 0.000) 1.166 12.136 ( 0.000 2.712 0.000) 2.712======================= Grid point 27 (16/72) =======================q-point: ( 0.00 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.640 ( 0.000 11.724 0.000) 11.724 0.853 ( 0.000 -8.449 0.000) 8.449 0.964 ( 0.000 2.932 0.000) 2.932 1.001 ( 0.000 -3.526 0.000) 3.526 1.098 ( 0.000 8.644 0.000) 8.644 1.218 ( 0.000 7.324 0.000) 7.324 1.240 ( 0.000 -4.926 0.000) 4.926 1.346 ( 0.000 -0.770 0.000) 0.770 1.422 ( 0.000 -1.140 0.000) 1.140 1.427 ( 0.000 -0.393 0.000) 0.393 1.441 ( 0.000 -0.144 0.000) 0.144 1.469 ( 0.000 -5.917 0.000) 5.917 1.845 ( 0.000 15.208 0.000) 15.208 1.951 ( 0.000 1.606 0.000) 1.606 2.034 ( 0.000 -4.102 0.000) 4.102 2.127 ( 0.000 -9.381 0.000) 9.381 2.412 ( 0.000 0.450 0.000) 0.450 2.417 ( 0.000 -1.128 0.000) 1.128 2.510 ( 0.000 3.615 0.000) 3.615 2.533 ( 0.000 -1.351 0.000) 1.351 2.636 ( 0.000 -0.046 0.000) 0.046 2.669 ( 0.000 -2.146 0.000) 2.146 2.723 ( 0.000 0.756 0.000) 0.756 2.747 ( 0.000 -1.303 0.000) 1.303 2.870 ( 0.000 2.285 0.000) 2.285 2.904 ( 0.000 -0.709 0.000) 0.709 3.119 ( 0.000 1.642 0.000) 1.642 3.142 ( 0.000 -0.250 0.000) 0.250 3.166 ( 0.000 4.355 0.000) 4.355 3.200 ( 0.000 1.495 0.000) 1.495 3.252 ( 0.000 3.750 0.000) 3.750 3.254 ( 0.000 0.173 0.000) 0.173 3.293 ( 0.000 -1.513 0.000) 1.513 3.312 ( 0.000 -2.022 0.000) 2.022 3.397 ( 0.000 2.612 0.000) 2.612 3.466 ( 0.000 -1.820 0.000) 1.820 3.524 ( 0.000 1.345 0.000) 1.345 3.570 ( 0.000 -4.066 0.000) 4.066 3.608 ( 0.000 4.176 0.000) 4.176 3.658 ( 0.000 -0.808 0.000) 0.808 3.732 ( 0.000 2.490 0.000) 2.490 3.806 ( 0.000 -4.084 0.000) 4.084 3.868 ( 0.000 1.393 0.000) 1.393 3.901 ( 0.000 -2.420 0.000) 2.420 4.002 ( 0.000 1.230 0.000) 1.230 4.013 ( 0.000 0.488 0.000) 0.488 4.140 ( 0.000 2.052 0.000) 2.052 4.189 ( 0.000 -2.767 0.000) 2.767 4.203 ( 0.000 2.503 0.000) 2.503 4.255 ( 0.000 -2.379 0.000) 2.379 4.439 ( 0.000 4.546 0.000) 4.546 4.516 ( 0.000 -1.575 0.000) 1.575 4.575 ( 0.000 0.519 0.000) 0.519 4.580 ( 0.000 -1.669 0.000) 1.669 4.744 ( 0.000 3.837 0.000) 3.837 4.817 ( 0.000 0.069 0.000) 0.069 4.884 ( 0.000 -1.617 0.000) 1.617 4.951 ( 0.000 -4.546 0.000) 4.546 4.990 ( 0.000 2.673 0.000) 2.673 5.020 ( 0.000 0.323 0.000) 0.323 5.076 ( 0.000 -3.047 0.000) 3.047 5.090 ( 0.000 -3.086 0.000) 3.086 5.199 ( 0.000 -0.192 0.000) 0.192 5.211 ( 0.000 -1.614 0.000) 1.614 5.318 ( 0.000 -0.699 0.000) 0.699 5.336 ( 0.000 -2.256 0.000) 2.256 5.784 ( 0.000 2.383 0.000) 2.383 5.828 ( 0.000 -1.737 0.000) 1.737 6.072 ( 0.000 2.660 0.000) 2.660 6.136 ( 0.000 -3.627 0.000) 3.627 6.491 ( 0.000 2.532 0.000) 2.532 6.535 ( 0.000 -1.800 0.000) 1.800 8.281 ( 0.000 0.428 0.000) 0.428 8.284 ( 0.000 0.166 0.000) 0.166 10.579 ( 0.000 4.815 0.000) 4.815 10.648 ( 0.000 -2.025 0.000) 2.025 11.274 ( 0.000 3.227 0.000) 3.227 11.340 ( 0.000 -3.443 0.000) 3.443 11.565 ( 0.000 1.059 0.000) 1.059 11.579 ( 0.000 -0.263 0.000) 0.263 11.752 ( 0.000 4.149 0.000) 4.149 11.836 ( 0.000 -4.095 0.000) 4.095 12.026 ( 0.000 1.564 0.000) 1.564 12.038 ( 0.000 0.253 0.000) 0.253======================= Grid point 28 (17/72) =======================q-point: ( 0.12 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.702 ( 7.122 9.594 -0.410) 11.956 0.889 ( 3.437 -8.332 0.880) 9.056 0.990 ( 2.641 3.709 0.633) 4.597 1.024 ( 2.763 -1.898 0.462) 3.384 1.123 ( 2.366 8.685 -0.078) 9.002 1.205 ( 1.372 3.698 0.133) 3.946 1.314 ( 2.946 0.432 1.030) 3.150 1.379 ( 3.167 0.042 0.192) 3.173 1.400 ( 0.459 -2.383 -3.712) 4.435 1.425 ( -0.695 0.353 1.509) 1.699 1.470 ( 0.255 -2.265 5.413) 5.873 1.508 ( 5.772 -6.904 -1.654) 9.150 1.902 ( 5.065 12.186 3.875) 13.754 1.977 ( 0.254 5.181 2.818) 5.904 2.050 ( 2.476 -5.093 0.903) 5.735 2.118 ( -0.135 -5.037 -2.718) 5.726 2.378 ( -3.058 2.041 -0.380) 3.696 2.405 ( -2.812 -1.531 0.618) 3.261 2.464 ( -2.044 0.752 -3.482) 4.108 2.492 ( -1.016 -3.276 -4.035) 5.295 2.648 ( 1.283 0.022 -0.142) 1.291 2.665 ( 0.110 -1.230 0.338) 1.280 2.760 ( 2.895 1.703 1.240) 3.581 2.781 ( 2.417 -0.970 0.821) 2.731 2.858 ( -1.067 2.066 -0.481) 2.374 2.895 ( -0.396 -1.464 -0.909) 1.768 3.107 ( -1.695 1.295 -1.735) 2.750 3.110 ( -1.093 0.558 0.135) 1.235 3.168 ( -1.951 1.552 -0.325) 2.514 3.183 ( -0.468 0.231 -1.000) 1.128 3.227 ( -1.837 3.168 -0.257) 3.671 3.247 ( -1.119 0.812 0.675) 1.538 3.274 ( -1.438 0.569 -0.131) 1.552 3.318 ( 0.010 -2.236 -1.516) 2.702 3.395 ( 0.357 2.478 -1.308) 2.825 3.453 ( -0.874 -2.270 0.067) 2.433 3.542 ( 1.442 2.132 -0.315) 2.593 3.562 ( 2.691 -0.024 1.213) 2.952 3.644 ( 0.550 1.882 1.196) 2.297 3.678 ( 1.777 -0.149 0.284) 1.805 3.736 ( 0.019 0.072 0.767) 0.770 3.784 ( -1.557 -3.681 -0.813) 4.079 3.873 ( -0.120 0.384 0.097) 0.413 3.892 ( -0.797 -1.941 -1.503) 2.581 3.964 ( -2.268 1.856 -0.950) 3.080 3.994 ( -2.412 -0.927 -0.611) 2.655 4.179 ( 2.181 2.214 2.147) 3.778 4.207 ( 3.878 0.877 2.984) 4.971 4.261 ( 0.520 -0.968 0.659) 1.282 4.275 ( 2.626 -1.191 1.495) 3.248 4.441 ( 1.110 4.222 -1.222) 4.533 4.515 ( 1.492 -1.659 -2.066) 3.041 4.564 ( -0.228 0.181 -1.917) 1.939 4.572 ( -1.368 -0.813 1.838) 2.431 4.721 ( -0.575 2.768 -1.385) 3.148 4.809 ( -0.951 -5.075 -1.508) 5.379 4.885 ( -0.184 1.846 1.510) 2.392 4.931 ( -2.495 -0.941 0.327) 2.687 4.999 ( 0.272 -0.010 0.118) 0.296 5.047 ( 0.369 -2.393 0.832) 2.561 5.076 ( 1.480 1.186 1.435) 2.378 5.128 ( 0.863 -2.406 3.896) 4.659 5.188 ( -1.750 0.301 0.789) 1.943 5.213 ( -0.915 -2.168 2.026) 3.105 5.303 ( -2.236 -1.255 0.631) 2.641 5.315 ( -1.469 -2.393 -0.950) 2.964 5.738 ( -3.796 1.139 -2.505) 4.688 5.760 ( -5.439 -0.878 -3.629) 6.597 6.090 ( 1.092 1.801 1.156) 2.402 6.135 ( 0.099 -2.684 -0.470) 2.727 6.493 ( 0.069 1.784 0.307) 1.811 6.526 ( -0.686 -1.436 -0.433) 1.650 8.281 ( -0.005 0.537 0.130) 0.553 8.286 ( 0.113 0.083 0.180) 0.228 10.523 ( -5.533 4.252 -1.000) 7.049 10.569 ( -7.076 -0.181 -1.639) 7.265 11.298 ( 1.238 1.725 1.855) 2.819 11.345 ( 0.271 -2.799 0.257) 2.823 11.584 ( 2.352 2.020 0.138) 3.104 11.621 ( 3.976 -1.662 0.533) 4.342 11.758 ( 0.764 4.488 -0.306) 4.563 11.851 ( 1.704 -4.654 -0.355) 4.969 12.046 ( 2.253 1.897 0.017) 2.945 12.064 ( 2.632 -0.022 0.297) 2.649======================= Grid point 29 (18/72) =======================q-point: ( 0.25 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.843 ( 8.902 5.831 -0.162) 10.643 0.962 ( 3.363 -5.135 1.869) 6.417 1.058 ( 4.894 5.377 -0.621) 7.297 1.106 ( 5.485 -0.724 1.592) 5.757 1.152 ( 2.419 6.174 -1.685) 6.842 1.266 ( 1.539 0.506 2.444) 2.933 1.295 ( -0.089 2.251 -4.409) 4.951 1.358 ( 0.398 -1.840 -5.181) 5.512 1.431 ( 3.422 2.642 -1.866) 4.709 1.514 ( 4.765 -1.147 7.726) 9.150 1.546 ( 2.785 -1.713 5.516) 6.412 1.612 ( 6.780 -5.596 -0.296) 8.796 2.004 ( 0.337 5.593 1.290) 5.749 2.031 ( -0.158 2.592 -0.242) 2.608 2.068 ( 1.245 2.650 -1.428) 3.258 2.098 ( 1.860 -1.196 -1.475) 2.658 2.325 ( -3.682 1.595 1.740) 4.373 2.359 ( -0.596 0.796 0.121) 1.002 2.401 ( -0.485 -0.938 -2.035) 2.293 2.495 ( 2.639 -4.796 1.325) 5.633 2.658 ( -0.114 -0.009 -0.517) 0.530 2.681 ( 1.822 -2.562 -1.127) 3.340 2.803 ( 0.258 1.916 -0.460) 1.988 2.821 ( 1.411 1.400 1.377) 2.418 2.841 ( 0.200 1.594 -0.576) 1.706 2.884 ( 0.749 -2.557 -1.586) 3.101 3.074 ( -0.409 1.273 -1.427) 1.955 3.097 ( -0.468 -0.740 -0.835) 1.210 3.110 ( -3.414 0.768 0.395) 3.522 3.142 ( -2.809 -1.864 1.594) 3.729 3.219 ( 0.268 1.998 0.252) 2.032 3.241 ( 0.256 0.707 0.321) 0.818 3.257 ( -1.036 2.238 1.403) 2.837 3.301 ( 0.374 -1.975 -1.421) 2.462 3.389 ( 0.194 3.862 -0.441) 3.892 3.457 ( 0.072 -1.881 0.769) 2.033 3.576 ( 0.261 2.905 2.244) 3.680 3.606 ( 0.925 0.684 0.319) 1.194 3.642 ( -0.732 1.678 0.247) 1.847 3.706 ( -0.089 -1.589 -0.168) 1.601 3.731 ( -2.814 -2.072 -1.555) 3.825 3.754 ( 2.315 -2.046 -2.256) 3.825 3.841 ( -2.308 0.101 -2.831) 3.653 3.856 ( -1.651 -1.686 -1.404) 2.746 3.933 ( -1.289 1.148 1.168) 2.084 3.956 ( -1.287 -0.962 0.821) 1.804 4.236 ( 0.475 1.721 1.167) 2.133 4.262 ( -0.504 -0.748 2.807) 2.948 4.312 ( 4.321 0.694 2.401) 4.991 4.321 ( 2.788 -0.116 -0.038) 2.791 4.458 ( 2.588 4.243 -1.884) 5.315 4.525 ( 1.719 -1.613 -2.858) 3.705 4.553 ( 1.134 1.475 -1.099) 2.160 4.584 ( 0.373 -1.940 2.376) 3.090 4.714 ( 0.235 0.822 0.424) 0.954 4.782 ( -0.139 -5.184 -1.585) 5.423 4.880 ( -1.915 1.165 0.305) 2.262 4.896 ( -1.490 -0.482 0.855) 1.784 4.991 ( -1.507 0.318 0.688) 1.687 5.031 ( -1.041 -3.057 -2.098) 3.851 5.104 ( 0.029 2.362 -2.370) 3.346 5.140 ( -2.284 -1.165 -1.731) 3.093 5.168 ( -2.294 2.088 3.249) 4.492 5.228 ( -1.823 -1.512 6.320) 6.750 5.267 ( -2.128 -1.253 0.694) 2.565 5.290 ( -1.015 -4.285 0.417) 4.424 5.622 ( -5.504 0.208 -2.489) 6.045 5.639 ( -4.461 -1.375 -1.744) 4.983 6.114 ( 0.243 0.302 0.461) 0.602 6.129 ( -0.230 -1.202 -0.311) 1.262 6.499 ( 0.281 0.463 0.217) 0.583 6.510 ( -0.461 -0.565 -0.623) 0.960 8.283 ( 0.043 0.610 0.086) 0.618 8.289 ( 0.028 0.040 0.110) 0.120 10.402 ( -6.979 3.739 -0.899) 7.968 10.426 ( -7.524 1.300 -1.088) 7.713 11.333 ( 0.980 -0.152 1.120) 1.496 11.351 ( 0.345 -1.887 0.015) 1.918 11.639 ( 3.415 3.235 0.645) 4.748 11.702 ( 4.565 -2.461 0.330) 5.197 11.771 ( 1.073 4.612 -0.170) 4.738 11.878 ( 1.830 -5.569 -0.452) 5.880 12.093 ( 2.976 2.119 0.153) 3.657 12.116 ( 2.861 -0.180 0.181) 2.873======================= Grid point 30 (19/72) =======================q-point: ( 0.38 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.967 ( 5.319 3.956 0.429) 6.643 1.035 ( 2.650 -2.022 2.362) 4.085 1.123 ( 3.989 6.431 -2.266) 7.900 1.183 ( 0.883 1.711 1.125) 2.230 1.199 ( 1.670 -1.580 0.880) 2.462 1.226 ( -0.069 2.855 -1.383) 3.173 1.287 ( 0.921 -4.220 -7.668) 8.801 1.329 ( 2.337 -2.214 -2.326) 3.971 1.534 ( 5.860 11.519 5.415) 14.013 1.639 ( 1.421 0.089 5.269) 5.458 1.665 ( 5.677 -0.047 1.381) 5.843 1.721 ( 4.817 -4.606 4.534) 8.061 1.904 ( -4.906 6.036 -6.739) 10.291 1.986 ( -1.227 -2.843 -6.676) 7.359 2.068 ( -0.213 2.766 -1.558) 3.182 2.118 ( 1.014 -1.785 1.417) 2.494 2.284 ( -2.914 0.899 1.094) 3.240 2.334 ( -3.137 -3.983 1.434) 5.269 2.486 ( 5.827 4.892 3.463) 8.359 2.562 ( 1.606 -1.733 1.382) 2.737 2.643 ( 0.243 0.938 -1.302) 1.623 2.706 ( 2.560 -5.090 -0.908) 5.769 2.795 ( -0.782 2.398 0.117) 2.525 2.825 ( -0.133 1.090 -0.432) 1.180 2.848 ( -0.170 1.746 0.369) 1.793 2.878 ( -0.676 -2.062 -0.883) 2.343 3.049 ( -1.273 0.539 0.760) 1.578 3.065 ( -0.806 -0.688 -1.076) 1.511 3.106 ( 1.345 2.443 0.209) 2.797 3.156 ( 0.290 -2.702 1.255) 2.993 3.239 ( 1.628 1.430 0.916) 2.352 3.255 ( 1.195 -0.238 1.266) 1.757 3.294 ( 2.591 1.675 3.685) 4.806 3.310 ( 1.030 -0.079 1.365) 1.712 3.393 ( -0.365 3.099 0.914) 3.251 3.462 ( -0.136 -2.205 0.788) 2.346 3.568 ( -2.905 1.950 -3.901) 5.240 3.593 ( -0.924 0.954 2.154) 2.531 3.627 ( -4.308 -1.219 -0.693) 4.530 3.647 ( -0.262 -1.595 1.505) 2.208 3.721 ( 1.647 1.624 -3.701) 4.365 3.746 ( -3.702 1.420 -0.694) 4.025 3.768 ( 1.061 -1.508 -4.930) 5.263 3.791 ( -3.519 -3.755 -2.436) 5.694 3.946 ( 0.352 -0.074 1.920) 1.953 3.970 ( 0.514 -1.926 2.421) 3.136 4.234 ( -0.520 2.782 0.415) 2.860 4.277 ( -0.282 -1.050 1.416) 1.786 4.376 ( 2.575 1.474 1.214) 3.206 4.393 ( 2.975 -0.029 1.469) 3.318 4.489 ( 2.887 2.793 -1.596) 4.323 4.522 ( 0.774 -0.373 -2.229) 2.389 4.562 ( 0.250 0.719 -0.379) 0.850 4.606 ( -0.172 -3.095 1.123) 3.297 4.732 ( 1.096 0.693 0.592) 1.425 4.773 ( 0.374 -1.766 -0.827) 1.986 4.849 ( -1.183 1.920 -0.974) 2.456 4.891 ( -0.275 -1.811 1.299) 2.246 4.961 ( -2.988 -1.388 0.767) 3.382 4.979 ( -1.557 -3.896 -3.367) 5.379 5.046 ( -1.261 2.006 -4.534) 5.116 5.074 ( -2.996 0.432 -0.611) 3.088 5.148 ( -2.205 4.133 1.422) 4.895 5.239 ( -1.564 -0.957 -0.052) 1.834 5.242 ( -1.757 -3.595 3.103) 5.064 5.277 ( -1.151 -4.996 -0.119) 5.128 5.566 ( -1.025 0.230 1.487) 1.821 5.588 ( -1.484 -1.697 1.335) 2.620 6.101 ( -0.754 0.939 -0.918) 1.514 6.128 ( -0.340 -1.797 0.393) 1.871 6.498 ( -0.046 0.290 -0.536) 0.611 6.506 ( 0.180 -0.512 0.024) 0.543 8.284 ( 0.041 0.558 -0.027) 0.560 8.289 ( -0.052 0.069 -0.012) 0.087 10.297 ( -4.266 3.319 -0.323) 5.415 10.313 ( -4.759 1.767 -0.454) 5.096 11.349 ( 0.506 -0.843 -0.212) 1.006 11.359 ( 0.320 -1.802 0.375) 1.868 11.697 ( 2.476 4.148 0.586) 4.866 11.761 ( 2.254 3.426 -0.751) 4.169 11.795 ( 1.414 -1.249 0.913) 2.096 11.899 ( 1.039 -6.152 -0.334) 6.248 12.138 ( 1.939 1.768 0.167) 2.629 12.155 ( 1.524 0.170 0.008) 1.534======================= Grid point 31 (20/72) =======================q-point: (-0.50 0.43 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.020 ( -0.000 4.116 0.000) 4.116 1.073 ( 0.000 -1.065 0.000) 1.065 1.146 ( 0.000 2.249 0.000) 2.249 1.181 ( 0.000 1.149 0.000) 1.149 1.208 ( -0.000 -2.658 0.000) 2.658 1.216 ( 0.000 -1.106 -0.000) 1.106 1.267 ( -0.000 4.970 -0.000) 4.970 1.350 ( 0.000 -1.702 0.000) 1.702 1.647 ( -0.000 4.934 0.000) 4.934 1.681 ( 0.000 3.120 -0.000) 3.120 1.702 ( -0.000 6.954 0.000) 6.954 1.787 ( 0.000 4.458 0.000) 4.458 1.859 ( 0.000 -0.733 0.000) 0.733 1.885 ( -0.000 -8.033 -0.000) 8.033 2.060 ( 0.000 3.363 -0.000) 3.363 2.142 ( 0.000 -4.676 0.000) 4.676 2.259 ( 0.000 2.136 -0.000) 2.136 2.311 ( 0.000 -3.587 0.000) 3.587 2.554 ( -0.000 1.498 -0.000) 1.498 2.570 ( 0.000 0.070 0.000) 0.070 2.649 ( 0.000 1.803 0.000) 1.803 2.726 ( 0.000 -4.468 0.000) 4.468 2.789 ( -0.000 1.883 -0.000) 1.883 2.825 ( 0.000 0.005 0.000) 0.005 2.845 ( 0.000 0.772 0.000) 0.772 2.858 ( 0.000 0.673 -0.000) 0.673 3.051 ( -0.000 0.273 0.000) 0.273 3.053 ( 0.000 -0.492 -0.000) 0.492 3.121 ( 0.000 2.495 0.000) 2.495 3.158 ( -0.000 -2.066 0.000) 2.066 3.253 ( 0.000 2.043 0.000) 2.043 3.291 ( 0.000 -0.967 0.000) 0.967 3.352 ( -0.000 4.494 0.000) 4.494 3.367 ( 0.000 0.822 0.000) 0.822 3.394 ( -0.000 -2.050 -0.000) 2.050 3.457 ( 0.000 -5.963 0.000) 5.963 3.476 ( 0.000 6.733 0.000) 6.733 3.591 ( 0.000 2.853 0.000) 2.853 3.615 ( 0.000 -5.825 -0.000) 5.825 3.651 ( 0.000 -2.477 0.000) 2.477 3.670 ( 0.000 2.210 0.000) 2.210 3.717 ( 0.000 -3.311 0.000) 3.311 3.734 ( 0.000 2.504 0.000) 2.504 3.771 ( 0.000 -0.670 -0.000) 0.670 3.960 ( 0.000 -0.226 0.000) 0.226 3.990 ( 0.000 -2.588 -0.000) 2.588 4.232 ( 0.000 3.086 0.000) 3.086 4.281 ( 0.000 -1.122 0.000) 1.122 4.412 ( 0.000 1.974 0.000) 1.974 4.430 ( 0.000 0.441 0.000) 0.441 4.509 ( -0.000 1.081 0.000) 1.081 4.509 ( 0.000 1.001 -0.000) 1.001 4.562 ( -0.000 -0.133 0.000) 0.133 4.603 ( 0.000 -4.111 -0.000) 4.111 4.750 ( 0.000 0.640 0.000) 0.640 4.773 ( 0.000 1.545 -0.000) 1.545 4.830 ( 0.000 2.915 0.000) 2.915 4.900 ( 0.000 -1.319 0.000) 1.319 4.927 ( -0.000 -3.711 0.000) 3.711 4.946 ( -0.000 -6.501 -0.000) 6.501 5.016 ( -0.000 3.648 0.000) 3.648 5.044 ( 0.000 0.935 -0.000) 0.935 5.133 ( 0.000 4.479 0.000) 4.479 5.223 ( 0.000 -0.900 -0.000) 0.900 5.246 ( 0.000 -6.226 0.000) 6.226 5.258 ( -0.000 -4.643 -0.000) 4.643 5.574 ( 0.000 0.141 0.000) 0.141 5.586 ( 0.000 -0.802 0.000) 0.802 6.088 ( 0.000 1.513 0.000) 1.513 6.126 ( 0.000 -2.274 0.000) 2.274 6.495 ( 0.000 0.482 0.000) 0.482 6.508 ( 0.000 -0.740 0.000) 0.740 8.284 ( 0.000 0.502 0.000) 0.502 8.288 ( -0.000 0.097 0.000) 0.097 10.260 ( 0.000 2.954 0.000) 2.954 10.269 ( -0.000 2.063 -0.000) 2.063 11.352 ( 0.000 -0.830 0.000) 0.830 11.364 ( -0.000 -2.029 0.000) 2.029 11.722 ( 0.000 4.549 0.000) 4.549 11.774 ( -0.000 6.785 0.000) 6.785 11.815 ( 0.000 -4.551 0.000) 4.551 11.906 ( 0.000 -6.383 0.000) 6.383 12.156 ( 0.000 1.465 0.000) 1.465 12.167 ( 0.000 0.459 0.000) 0.459======================= Grid point 63 (21/72) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.317 ( 9.055 0.000 16.607) 18.915 0.357 ( -4.437 0.000 18.614) 19.136 0.624 ( 1.861 0.000 30.397) 30.454 0.944 ( -9.432 0.000 -12.395) 15.576 0.967 ( 2.955 0.000 -9.491) 9.940 1.129 ( 0.803 0.000 -0.629) 1.020 1.276 ( 0.336 0.000 -5.210) 5.221 1.301 ( -1.076 0.000 0.477) 1.177 1.343 ( -3.296 0.000 6.886) 7.634 1.486 ( -0.002 0.000 4.353) 4.353 1.547 ( -2.059 0.000 1.155) 2.361 1.630 ( -0.701 0.000 3.944) 4.006 1.788 ( -0.310 0.000 -16.487) 16.490 1.983 ( 1.463 0.000 -11.047) 11.143 2.161 ( -0.964 0.000 0.276) 1.003 2.229 ( 1.048 0.000 -2.480) 2.692 2.252 ( 2.601 0.000 8.858) 9.232 2.331 ( -2.345 0.000 2.122) 3.163 2.493 ( 3.326 0.000 0.337) 3.343 2.639 ( -0.989 0.000 0.208) 1.010 2.665 ( -3.455 0.000 -0.254) 3.464 2.700 ( 1.072 0.000 -2.185) 2.434 2.716 ( -0.812 0.000 -1.762) 1.940 2.765 ( 1.543 0.000 -0.247) 1.563 2.776 ( 5.373 0.000 3.795) 6.578 2.839 ( -8.518 0.000 -0.675) 8.545 2.963 ( 5.587 0.000 4.721) 7.315 3.016 ( -3.480 0.000 -1.013) 3.624 3.049 ( 1.904 0.000 -1.923) 2.706 3.086 ( -0.316 0.000 -2.072) 2.096 3.147 ( 2.681 0.000 3.187) 4.165 3.268 ( -2.529 0.000 -0.451) 2.569 3.303 ( -3.170 0.000 3.381) 4.634 3.313 ( 0.373 0.000 0.529) 0.647 3.345 ( -0.334 0.000 2.279) 2.304 3.421 ( -0.701 0.000 0.259) 0.748 3.554 ( -6.777 0.000 -6.421) 9.336 3.573 ( 0.877 0.000 -5.189) 5.262 3.602 ( -2.494 0.000 -4.151) 4.843 3.617 ( -0.923 0.000 0.348) 0.986 3.701 ( -0.400 0.000 -2.664) 2.694 3.788 ( -3.654 0.000 -6.666) 7.602 3.875 ( 0.470 0.000 -0.546) 0.720 3.896 ( 1.806 0.000 -1.966) 2.670 3.998 ( -1.592 0.000 3.264) 3.632 4.042 ( 2.173 0.000 2.653) 3.429 4.084 ( -4.505 0.000 5.877) 7.405 4.165 ( 0.695 0.000 7.889) 7.919 4.235 ( -1.052 0.000 1.086) 1.512 4.254 ( 0.565 0.000 1.866) 1.949 4.437 ( 1.052 0.000 1.136) 1.548 4.569 ( -2.203 0.000 2.253) 3.151 4.633 ( -0.752 0.000 -3.391) 3.473 4.655 ( 3.832 0.000 -1.880) 4.268 4.683 ( 1.383 0.000 3.392) 3.664 4.802 ( 0.876 0.000 3.243) 3.359 4.835 ( 6.493 0.000 -3.464) 7.359 5.012 ( 1.670 0.000 -4.510) 4.809 5.088 ( 0.002 0.000 -1.482) 1.482 5.096 ( -3.852 0.000 2.575) 4.633 5.138 ( 2.698 0.000 -4.403) 5.164 5.167 ( 2.177 0.000 -0.205) 2.187 5.334 ( 5.597 0.000 1.306) 5.747 5.384 ( -3.524 0.000 -0.590) 3.573 5.426 ( -1.721 0.000 2.638) 3.149 5.490 ( 0.013 0.000 -0.389) 0.389 5.712 ( 0.325 0.000 -1.746) 1.776 5.746 ( -2.252 0.000 -1.792) 2.878 6.073 ( 0.910 0.000 5.297) 5.375 6.285 ( -0.032 0.000 -5.536) 5.536 6.494 ( 5.151 0.000 4.053) 6.555 6.564 ( -1.122 0.000 -0.116) 1.128 8.248 ( -0.186 0.000 0.182) 0.260 8.258 ( 0.203 0.000 -0.237) 0.312 10.087 ( -0.697 0.000 4.935) 4.984 10.337 ( 4.106 0.000 -5.428) 6.806 11.354 ( 16.933 0.000 0.269) 16.935 11.407 ( -2.382 0.000 -1.520) 2.826 11.563 ( 3.729 0.000 4.748) 6.038 11.732 ( -1.263 0.000 -2.580) 2.873 11.836 ( -0.308 0.000 2.874) 2.891 11.942 ( -22.509 0.000 0.356) 22.511 11.959 ( 0.958 0.000 -1.009) 1.391 11.979 ( 2.727 0.000 -2.408) 3.638======================= Grid point 64 (22/72) =======================q-point: ( 0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.493 ( 4.566 0.000 11.858) 12.706 0.642 ( 10.749 0.000 14.943) 18.407 0.679 ( -2.702 0.000 -11.919) 12.221 0.907 ( 2.136 0.000 -13.440) 13.609 1.108 ( 12.760 0.000 23.444) 26.692 1.143 ( -0.874 0.000 1.128) 1.427 1.210 ( 0.822 0.000 -5.237) 5.301 1.263 ( 0.592 0.000 -1.632) 1.736 1.381 ( 0.465 0.000 1.900) 1.957 1.524 ( -2.423 0.000 6.047) 6.514 1.568 ( 3.501 0.000 0.575) 3.548 1.664 ( 3.221 0.000 -13.793) 14.164 1.704 ( 2.528 0.000 7.899) 8.294 1.862 ( -1.794 0.000 -10.878) 11.025 2.090 ( -6.033 0.000 0.494) 6.053 2.191 ( -2.323 0.000 -3.045) 3.830 2.323 ( -1.988 0.000 1.993) 2.815 2.366 ( 3.557 0.000 4.736) 5.923 2.527 ( -5.399 0.000 -5.279) 7.551 2.586 ( 3.611 0.000 3.424) 4.976 2.632 ( -0.765 0.000 -0.863) 1.153 2.723 ( 1.930 0.000 0.413) 1.974 2.759 ( 2.305 0.000 1.425) 2.710 2.769 ( 0.093 0.000 -4.513) 4.513 2.794 ( 1.957 0.000 -2.024) 2.816 2.906 ( 4.465 0.000 2.364) 5.053 2.939 ( -3.133 0.000 -2.604) 4.074 3.017 ( -1.240 0.000 -4.535) 4.701 3.072 ( 1.138 0.000 2.349) 2.610 3.115 ( 5.375 0.000 -2.430) 5.899 3.195 ( -1.230 0.000 -1.861) 2.230 3.234 ( 2.945 0.000 5.705) 6.421 3.295 ( -2.866 0.000 4.297) 5.166 3.322 ( 0.183 0.000 1.499) 1.510 3.361 ( -1.471 0.000 5.073) 5.282 3.437 ( -0.480 0.000 -4.735) 4.759 3.445 ( 1.488 0.000 1.145) 1.878 3.468 ( -1.121 0.000 -1.967) 2.264 3.580 ( -2.359 0.000 -0.231) 2.370 3.671 ( 2.615 0.000 1.724) 3.132 3.705 ( 3.335 0.000 -0.508) 3.373 3.761 ( 3.052 0.000 -3.678) 4.779 3.848 ( -2.248 0.000 -0.950) 2.441 3.880 ( -0.662 0.000 -2.294) 2.387 3.955 ( -5.424 0.000 3.703) 6.567 4.081 ( -0.835 0.000 2.367) 2.510 4.135 ( 2.328 0.000 4.540) 5.102 4.178 ( 1.102 0.000 -3.632) 3.795 4.264 ( 0.081 0.000 5.067) 5.067 4.267 ( -0.862 0.000 0.899) 1.245 4.486 ( 0.867 0.000 4.666) 4.746 4.559 ( -2.429 0.000 -6.186) 6.645 4.581 ( 2.555 0.000 0.234) 2.566 4.699 ( 1.028 0.000 0.693) 1.240 4.736 ( 0.270 0.000 3.140) 3.152 4.799 ( -0.658 0.000 -4.085) 4.137 4.873 ( 2.079 0.000 6.452) 6.779 5.000 ( 4.636 0.000 -9.676) 10.729 5.046 ( -2.685 0.000 -1.180) 2.933 5.047 ( -4.188 0.000 -0.407) 4.207 5.117 ( 0.094 0.000 -2.564) 2.566 5.157 ( -4.375 0.000 0.180) 4.378 5.321 ( -0.112 0.000 -3.545) 3.547 5.405 ( -3.315 0.000 5.218) 6.182 5.443 ( 2.813 0.000 1.571) 3.222 5.492 ( 0.549 0.000 -0.534) 0.766 5.682 ( -1.660 0.000 -2.259) 2.803 5.682 ( -3.527 0.000 -0.589) 3.576 6.155 ( 2.338 0.000 5.378) 5.865 6.210 ( -2.462 0.000 -4.665) 5.275 6.525 ( -2.118 0.000 -1.567) 2.635 6.564 ( 0.630 0.000 1.976) 2.074 8.247 ( -0.135 0.000 0.145) 0.198 8.260 ( 0.191 0.000 -0.186) 0.267 10.096 ( -3.937 0.000 5.177) 6.504 10.258 ( -4.472 0.000 -6.249) 7.685 11.362 ( 0.591 0.000 -4.158) 4.200 11.480 ( 1.103 0.000 0.587) 1.249 11.654 ( -3.170 0.000 -3.834) 4.974 11.686 ( 0.906 0.000 -1.707) 1.932 11.762 ( 1.440 0.000 8.038) 8.166 11.902 ( 2.384 0.000 3.202) 3.992 11.947 ( 1.237 0.000 -2.984) 3.230 12.071 ( 5.598 0.000 2.204) 6.017======================= Grid point 65 (23/72) =======================q-point: ( 0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.546 ( 7.306 0.000 -11.702) 13.795 0.776 ( 9.466 0.000 9.888) 13.689 0.817 ( 4.369 0.000 -11.994) 12.765 0.952 ( 8.372 0.000 13.249) 15.672 1.118 ( -0.229 0.000 -1.212) 1.233 1.127 ( -2.095 0.000 -2.918) 3.592 1.296 ( -4.856 0.000 -1.405) 5.055 1.308 ( 3.091 0.000 1.194) 3.314 1.468 ( -2.939 0.000 4.042) 4.998 1.610 ( 2.121 0.000 -8.450) 8.712 1.611 ( 6.468 0.000 13.570) 15.033 1.662 ( 4.081 0.000 0.645) 4.132 1.761 ( 3.517 0.000 -11.134) 11.676 1.849 ( 6.628 0.000 8.164) 10.516 2.027 ( -2.317 0.000 2.357) 3.305 2.108 ( -2.798 0.000 -3.630) 4.584 2.296 ( -3.854 0.000 3.246) 5.039 2.390 ( -3.399 0.000 -6.281) 7.142 2.455 ( 2.953 0.000 1.142) 3.166 2.638 ( 1.157 0.000 0.939) 1.490 2.657 ( 1.586 0.000 2.602) 3.047 2.705 ( -1.228 0.000 -4.465) 4.631 2.760 ( -1.244 0.000 1.320) 1.814 2.772 ( 0.023 0.000 -2.459) 2.460 2.777 ( 1.340 0.000 -3.171) 3.443 2.883 ( -3.471 0.000 1.868) 3.942 2.918 ( -2.161 0.000 -1.848) 2.844 2.966 ( 0.898 0.000 -4.864) 4.946 3.057 ( -1.999 0.000 0.939) 2.209 3.165 ( 2.349 0.000 -2.409) 3.365 3.193 ( 0.503 0.000 -1.256) 1.353 3.265 ( -0.189 0.000 -0.376) 0.420 3.377 ( 2.920 0.000 2.915) 4.125 3.380 ( -0.056 0.000 -0.875) 0.877 3.392 ( 3.588 0.000 9.657) 10.302 3.425 ( 1.656 0.000 0.299) 1.683 3.442 ( 1.357 0.000 -0.401) 1.415 3.543 ( 4.015 0.000 3.524) 5.342 3.581 ( 0.695 0.000 4.917) 4.966 3.641 ( -2.917 0.000 -3.120) 4.272 3.764 ( -2.630 0.000 -0.492) 2.676 3.797 ( 2.893 0.000 0.697) 2.976 3.810 ( 0.668 0.000 0.377) 0.767 3.867 ( 1.192 0.000 1.588) 1.985 3.915 ( -3.022 0.000 2.912) 4.197 4.071 ( -1.626 0.000 2.606) 3.071 4.157 ( 0.018 0.000 -3.561) 3.561 4.190 ( -2.154 0.000 -1.870) 2.853 4.240 ( 0.636 0.000 -0.287) 0.697 4.353 ( 5.963 0.000 2.293) 6.389 4.452 ( -2.463 0.000 -5.024) 5.595 4.537 ( 0.563 0.000 3.715) 3.758 4.642 ( 3.596 0.000 -0.318) 3.610 4.686 ( -2.057 0.000 0.795) 2.206 4.726 ( -2.339 0.000 -0.547) 2.402 4.803 ( 3.701 0.000 -2.592) 4.519 4.948 ( -2.673 0.000 4.971) 5.644 4.970 ( -2.222 0.000 -1.634) 2.758 4.977 ( 2.159 0.000 -8.566) 8.833 5.020 ( 1.223 0.000 -0.100) 1.228 5.064 ( -4.679 0.000 2.804) 5.455 5.111 ( 1.905 0.000 -2.860) 3.437 5.318 ( 2.703 0.000 -3.084) 4.101 5.370 ( -6.043 0.000 5.276) 8.022 5.485 ( -1.245 0.000 -1.756) 2.152 5.488 ( 0.690 0.000 1.243) 1.422 5.581 ( -6.250 0.000 -0.752) 6.295 5.673 ( 1.815 0.000 0.140) 1.820 6.124 ( -3.218 0.000 -3.381) 4.668 6.227 ( 0.308 0.000 4.044) 4.056 6.483 ( -0.455 0.000 -1.867) 1.922 6.568 ( -1.071 0.000 0.194) 1.088 8.247 ( 0.012 0.000 0.162) 0.162 8.261 ( 0.201 0.000 -0.170) 0.263 10.059 ( -5.145 0.000 3.935) 6.477 10.118 ( -5.202 0.000 -4.820) 7.092 11.358 ( 3.908 0.000 -4.621) 6.052 11.488 ( -2.089 0.000 4.118) 4.618 11.580 ( -1.885 0.000 -2.298) 2.972 11.684 ( 2.366 0.000 -2.744) 3.623 11.889 ( 4.379 0.000 4.210) 6.074 11.952 ( 2.464 0.000 -2.596) 3.579 11.967 ( 1.978 0.000 2.373) 3.089 12.165 ( 2.364 0.000 2.472) 3.420======================= Grid point 66 (24/72) =======================q-point: ( 0.38 0.00 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.639 ( 10.890 0.000 -3.696) 11.500 0.788 ( -0.403 0.000 -3.001) 3.028 1.019 ( 9.569 0.000 6.190) 11.397 1.059 ( -4.047 0.000 -1.210) 4.224 1.117 ( 7.068 0.000 -1.065) 7.148 1.201 ( -1.720 0.000 -1.561) 2.323 1.247 ( 8.654 0.000 9.193) 12.625 1.342 ( -0.246 0.000 0.104) 0.267 1.399 ( -9.869 0.000 6.546) 11.843 1.483 ( -7.413 0.000 -6.828) 10.079 1.686 ( 1.265 0.000 -7.479) 7.585 1.715 ( -1.634 0.000 2.623) 3.091 1.815 ( 11.050 0.000 -5.406) 12.301 2.001 ( 1.242 0.000 2.056) 2.402 2.058 ( -0.302 0.000 -4.113) 4.124 2.068 ( 4.616 0.000 -2.630) 5.313 2.257 ( -5.412 0.000 6.824) 8.710 2.339 ( 2.101 0.000 -0.491) 2.157 2.487 ( 0.835 0.000 1.069) 1.357 2.626 ( -0.437 0.000 -5.541) 5.558 2.675 ( 1.498 0.000 1.043) 1.826 2.705 ( -0.773 0.000 6.194) 6.242 2.733 ( -0.750 0.000 -3.425) 3.506 2.760 ( -0.817 0.000 2.381) 2.517 2.796 ( 1.170 0.000 0.660) 1.343 2.830 ( -3.462 0.000 2.036) 4.016 2.894 ( -1.515 0.000 4.034) 4.309 2.948 ( 1.991 0.000 -4.642) 5.051 3.041 ( -1.187 0.000 0.695) 1.376 3.169 ( 0.592 0.000 0.271) 0.651 3.189 ( 1.206 0.000 -1.811) 2.176 3.280 ( 1.640 0.000 -0.980) 1.910 3.335 ( 0.294 0.000 -6.370) 6.377 3.428 ( -0.232 0.000 1.653) 1.669 3.473 ( 1.362 0.000 4.693) 4.887 3.480 ( 3.087 0.000 -0.589) 3.143 3.501 ( 1.513 0.000 3.493) 3.807 3.558 ( -1.910 0.000 -2.871) 3.448 3.622 ( 2.447 0.000 1.107) 2.686 3.644 ( -1.819 0.000 3.975) 4.371 3.705 ( -2.982 0.000 1.350) 3.273 3.803 ( 1.853 0.000 -5.090) 5.417 3.853 ( -0.891 0.000 0.536) 1.040 3.902 ( -1.358 0.000 1.896) 2.332 3.915 ( -1.611 0.000 4.891) 5.150 4.057 ( -1.590 0.000 -4.164) 4.457 4.082 ( -0.928 0.000 1.767) 1.996 4.124 ( 0.404 0.000 -1.943) 1.985 4.288 ( 1.828 0.000 1.904) 2.639 4.404 ( -0.949 0.000 0.002) 0.949 4.460 ( 4.250 0.000 -0.412) 4.270 4.566 ( -0.365 0.000 0.260) 0.448 4.628 ( -1.499 0.000 -1.781) 2.328 4.677 ( 0.712 0.000 -0.685) 0.988 4.743 ( 3.347 0.000 0.903) 3.467 4.840 ( 2.324 0.000 -1.014) 2.536 4.896 ( -6.397 0.000 2.533) 6.880 4.918 ( 0.013 0.000 -4.202) 4.202 4.960 ( 2.502 0.000 -3.627) 4.406 4.990 ( 0.420 0.000 -2.123) 2.164 5.113 ( 1.824 0.000 -3.824) 4.237 5.117 ( 0.345 0.000 2.926) 2.946 5.322 ( -4.625 0.000 4.519) 6.466 5.340 ( 0.140 0.000 1.930) 1.935 5.398 ( -1.811 0.000 -3.315) 3.777 5.496 ( -0.848 0.000 1.201) 1.470 5.533 ( -1.299 0.000 1.914) 2.314 5.716 ( 1.519 0.000 0.425) 1.577 6.054 ( -1.854 0.000 -0.630) 1.958 6.234 ( -2.244 0.000 1.371) 2.630 6.477 ( 0.957 0.000 -0.807) 1.251 6.544 ( -0.954 0.000 -0.936) 1.336 8.250 ( 0.057 0.000 0.176) 0.185 8.263 ( 0.169 0.000 -0.215) 0.273 10.007 ( -4.404 0.000 2.334) 4.985 10.016 ( -2.227 0.000 -2.695) 3.497 11.402 ( 5.218 0.000 -2.900) 5.970 11.484 ( -2.519 0.000 2.739) 3.721 11.549 ( -0.992 0.000 0.596) 1.157 11.700 ( 2.673 0.000 -3.525) 4.424 11.973 ( 1.340 0.000 3.353) 3.611 11.977 ( 2.500 0.000 -1.341) 2.837 12.009 ( 0.850 0.000 1.391) 1.630 12.193 ( -0.117 0.000 -0.189) 0.222======================= Grid point 67 (25/72) =======================q-point: (-0.50 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.752 ( -0.846 0.000 -1.044) 1.344 0.770 ( 4.832 0.000 -0.250) 4.839 1.025 ( 2.292 0.000 0.858) 2.447 1.185 ( -9.333 0.000 -6.553) 11.404 1.197 ( 2.643 0.000 2.706) 3.782 1.220 ( 3.388 0.000 4.935) 5.986 1.278 ( -10.151 0.000 7.363) 12.540 1.285 ( 6.626 0.000 5.174) 8.407 1.333 ( -2.759 0.000 -2.897) 4.000 1.509 ( 9.643 0.000 7.198) 12.033 1.595 ( -0.940 0.000 -10.849) 10.890 1.663 ( -4.253 0.000 -2.105) 4.745 1.905 ( 1.173 0.000 -8.713) 8.791 1.939 ( -8.207 0.000 -8.897) 12.104 2.002 ( 1.799 0.000 0.401) 1.844 2.041 ( 1.444 0.000 -3.665) 3.939 2.299 ( 1.350 0.000 8.000) 8.113 2.423 ( 3.131 0.000 5.931) 6.707 2.473 ( -2.944 0.000 -1.508) 3.308 2.611 ( 2.660 0.000 -3.470) 4.372 2.672 ( -0.333 0.000 -1.142) 1.189 2.734 ( -2.790 0.000 0.542) 2.842 2.748 ( 3.307 0.000 1.059) 3.472 2.786 ( 1.010 0.000 4.964) 5.065 2.815 ( -1.668 0.000 2.889) 3.336 2.819 ( 0.313 0.000 2.832) 2.849 2.939 ( 0.429 0.000 6.915) 6.928 2.952 ( 2.645 0.000 -1.635) 3.110 3.026 ( -0.310 0.000 -0.200) 0.369 3.201 ( 1.147 0.000 1.641) 2.002 3.202 ( 1.370 0.000 -0.639) 1.512 3.237 ( -0.166 0.000 -7.693) 7.695 3.331 ( 1.011 0.000 -0.505) 1.130 3.397 ( -2.484 0.000 -2.207) 3.323 3.474 ( -1.344 0.000 -1.829) 2.269 3.516 ( -0.692 0.000 -1.414) 1.574 3.540 ( -0.235 0.000 4.267) 4.274 3.580 ( -6.940 0.000 1.131) 7.032 3.584 ( 3.718 0.000 1.516) 4.016 3.653 ( 0.995 0.000 -0.839) 1.302 3.683 ( -1.445 0.000 0.951) 1.730 3.770 ( 0.527 0.000 -1.808) 1.884 3.776 ( 0.103 0.000 -3.971) 3.972 3.890 ( -2.767 0.000 -1.128) 2.988 3.907 ( -1.250 0.000 2.960) 3.213 4.050 ( -1.472 0.000 -1.646) 2.208 4.129 ( 3.878 0.000 3.384) 5.146 4.149 ( 1.552 0.000 1.063) 1.881 4.312 ( -0.606 0.000 1.159) 1.308 4.443 ( 3.140 0.000 5.189) 6.065 4.460 ( -1.511 0.000 -4.702) 4.939 4.530 ( -2.283 0.000 -0.492) 2.336 4.619 ( 0.588 0.000 -0.623) 0.857 4.669 ( -0.468 0.000 -2.355) 2.401 4.789 ( -1.300 0.000 0.589) 1.427 4.824 ( -1.885 0.000 1.401) 2.349 4.855 ( 0.636 0.000 -0.821) 1.039 4.913 ( 2.747 0.000 -2.518) 3.727 4.986 ( 3.588 0.000 -1.521) 3.897 4.988 ( 0.001 0.000 -1.330) 1.330 5.066 ( -3.163 0.000 -2.244) 3.878 5.102 ( 1.402 0.000 -3.971) 4.211 5.302 ( -2.212 0.000 3.203) 3.892 5.376 ( 1.389 0.000 2.072) 2.495 5.432 ( 3.885 0.000 2.656) 4.706 5.486 ( -1.487 0.000 0.906) 1.742 5.543 ( -0.230 0.000 3.428) 3.435 5.706 ( -0.977 0.000 -2.541) 2.722 6.074 ( 2.179 0.000 3.494) 4.117 6.192 ( -2.407 0.000 -1.347) 2.759 6.487 ( 0.548 0.000 -0.056) 0.551 6.525 ( -0.046 0.000 -1.478) 1.479 8.251 ( -0.073 0.000 0.189) 0.203 8.262 ( 0.070 0.000 -0.273) 0.281 9.963 ( -2.283 0.000 0.720) 2.394 10.001 ( 2.433 0.000 -0.850) 2.577 11.450 ( -3.293 0.000 0.242) 3.302 11.472 ( 5.098 0.000 -1.099) 5.215 11.548 ( -1.577 0.000 3.084) 3.464 11.698 ( 0.957 0.000 -3.995) 4.108 11.999 ( -0.998 0.000 0.963) 1.387 12.005 ( 1.476 0.000 -0.080) 1.478 12.024 ( -0.977 0.000 3.134) 3.282 12.169 ( -0.981 0.000 -2.454) 2.642======================= Grid point 68 (26/72) =======================q-point: (-0.38 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.723 ( -3.114 0.000 -5.083) 5.961 0.794 ( -2.314 0.000 -0.806) 2.451 0.960 ( -6.383 0.000 -2.018) 6.694 1.031 ( -8.130 0.000 6.268) 10.265 1.206 ( 1.930 0.000 6.296) 6.585 1.234 ( -4.238 0.000 -4.831) 6.427 1.296 ( -0.419 0.000 4.898) 4.916 1.346 ( 5.512 0.000 2.373) 6.001 1.440 ( -1.871 0.000 -0.986) 2.115 1.524 ( -10.576 0.000 -2.778) 10.935 1.537 ( 7.517 0.000 2.631) 7.965 1.663 ( -9.473 0.000 -9.967) 13.750 1.678 ( 0.428 0.000 4.403) 4.424 1.824 ( 5.549 0.000 -7.167) 9.064 2.036 ( -0.667 0.000 0.663) 0.940 2.081 ( 4.756 0.000 0.209) 4.761 2.396 ( 0.568 0.000 7.291) 7.313 2.402 ( -2.616 0.000 -3.984) 4.766 2.497 ( -0.133 0.000 3.294) 3.297 2.562 ( -2.495 0.000 -6.485) 6.948 2.688 ( 1.150 0.000 2.742) 2.973 2.704 ( 0.466 0.000 -1.092) 1.188 2.791 ( -0.824 0.000 1.133) 1.401 2.817 ( 1.069 0.000 -3.301) 3.470 2.845 ( 2.433 0.000 1.197) 2.712 2.864 ( 1.541 0.000 4.652) 4.900 2.982 ( 0.672 0.000 -0.547) 0.866 3.005 ( 3.010 0.000 1.756) 3.485 3.072 ( 1.584 0.000 6.589) 6.776 3.164 ( 0.065 0.000 -8.316) 8.316 3.188 ( -1.558 0.000 -3.459) 3.794 3.208 ( -0.360 0.000 -0.204) 0.414 3.325 ( -2.358 0.000 -3.671) 4.363 3.338 ( -0.339 0.000 2.872) 2.892 3.441 ( -0.645 0.000 0.655) 0.919 3.466 ( -4.752 0.000 4.419) 6.490 3.518 ( -0.733 0.000 -0.351) 0.813 3.548 ( -2.702 0.000 3.085) 4.101 3.618 ( -3.706 0.000 -0.289) 3.717 3.660 ( 2.341 0.000 1.562) 2.814 3.694 ( 2.377 0.000 -1.093) 2.616 3.758 ( 1.332 0.000 -1.250) 1.827 3.827 ( -0.638 0.000 -5.197) 5.236 3.842 ( 3.571 0.000 5.286) 6.380 3.921 ( -1.089 0.000 5.221) 5.334 4.027 ( 0.708 0.000 -1.440) 1.605 4.169 ( 0.056 0.000 -1.156) 1.158 4.173 ( 0.318 0.000 -0.564) 0.647 4.313 ( -1.790 0.000 2.814) 3.335 4.356 ( -4.384 0.000 -3.907) 5.872 4.480 ( -2.887 0.000 -1.145) 3.106 4.556 ( 2.779 0.000 4.566) 5.345 4.626 ( 1.302 0.000 -1.562) 2.033 4.632 ( -0.132 0.000 -2.194) 2.198 4.725 ( -5.267 0.000 1.376) 5.444 4.831 ( -0.008 0.000 -0.816) 0.817 4.839 ( -0.891 0.000 -3.025) 3.153 4.944 ( 3.502 0.000 -1.701) 3.893 4.952 ( -0.512 0.000 -1.438) 1.527 5.054 ( 3.213 0.000 2.086) 3.831 5.058 ( 1.641 0.000 0.687) 1.779 5.094 ( 3.122 0.000 -4.838) 5.758 5.298 ( -1.457 0.000 1.874) 2.374 5.410 ( 1.382 0.000 0.383) 1.434 5.465 ( -1.267 0.000 -0.238) 1.290 5.489 ( 0.468 0.000 0.923) 1.035 5.615 ( 3.176 0.000 5.580) 6.420 5.673 ( 0.915 0.000 -2.975) 3.112 6.132 ( -2.058 0.000 -3.385) 3.962 6.162 ( 3.266 0.000 4.309) 5.407 6.499 ( 0.721 0.000 0.625) 0.954 6.507 ( -0.233 0.000 -2.367) 2.379 8.251 ( -0.192 0.000 0.245) 0.311 8.260 ( 0.019 0.000 -0.285) 0.286 9.950 ( 0.472 0.000 0.060) 0.476 10.073 ( 6.326 0.000 -0.449) 6.342 11.380 ( -3.928 0.000 -1.917) 4.371 11.538 ( -1.117 0.000 2.276) 2.536 11.555 ( 2.958 0.000 1.431) 3.286 11.652 ( -1.522 0.000 -4.587) 4.833 11.959 ( -3.364 0.000 -0.682) 3.432 12.021 ( 0.053 0.000 0.530) 0.533 12.051 ( -1.101 0.000 6.330) 6.425 12.120 ( -1.546 0.000 -3.254) 3.603======================= Grid point 69 (27/72) =======================q-point: (-0.25 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.485 ( -13.611 0.000 -8.631) 16.117 0.605 ( -15.778 0.000 -3.526) 16.167 1.004 ( 5.733 0.000 3.901) 6.934 1.007 ( -12.273 0.000 3.877) 12.871 1.114 ( -3.603 0.000 -5.156) 6.290 1.135 ( -11.252 0.000 9.051) 14.441 1.284 ( -0.085 0.000 3.441) 3.442 1.340 ( -1.824 0.000 -8.066) 8.269 1.373 ( -4.628 0.000 -3.216) 5.636 1.488 ( 6.245 0.000 3.832) 7.327 1.524 ( -1.799 0.000 -0.992) 2.055 1.610 ( -6.102 0.000 7.228) 9.460 1.790 ( 11.758 0.000 1.674) 11.877 1.919 ( 6.160 0.000 -2.300) 6.575 2.048 ( 1.670 0.000 0.690) 1.807 2.154 ( 4.498 0.000 -1.338) 4.693 2.280 ( -5.859 0.000 -3.717) 6.939 2.435 ( -2.677 0.000 4.123) 4.916 2.501 ( 1.238 0.000 -4.670) 4.831 2.521 ( 1.352 0.000 2.410) 2.764 2.705 ( 0.567 0.000 -0.670) 0.877 2.737 ( 0.410 0.000 4.608) 4.626 2.756 ( -3.579 0.000 -1.040) 3.727 2.788 ( 0.302 0.000 -3.897) 3.909 2.841 ( -1.961 0.000 -2.243) 2.980 2.936 ( 3.198 0.000 1.282) 3.445 2.955 ( -1.067 0.000 -6.906) 6.988 3.069 ( 2.211 0.000 -1.454) 2.646 3.092 ( 0.554 0.000 -6.017) 6.042 3.119 ( -2.450 0.000 3.497) 4.270 3.140 ( 0.413 0.000 -1.982) 2.025 3.207 ( 0.271 0.000 1.545) 1.569 3.278 ( 0.808 0.000 -1.908) 2.072 3.353 ( -2.947 0.000 4.074) 5.028 3.447 ( -2.561 0.000 5.160) 5.761 3.466 ( -1.401 0.000 2.121) 2.542 3.507 ( -0.521 0.000 -0.412) 0.664 3.563 ( -0.093 0.000 7.396) 7.396 3.602 ( 2.256 0.000 5.195) 5.664 3.684 ( -0.564 0.000 2.028) 2.105 3.726 ( 3.834 0.000 -3.897) 5.467 3.734 ( -2.327 0.000 -2.754) 3.605 3.834 ( 5.094 0.000 -1.197) 5.233 3.921 ( 0.212 0.000 4.214) 4.220 3.998 ( 1.363 0.000 10.057) 10.149 4.031 ( 0.330 0.000 -3.328) 3.344 4.103 ( -3.141 0.000 -4.791) 5.729 4.153 ( -1.754 0.000 -0.240) 1.771 4.282 ( -4.812 0.000 2.553) 5.447 4.285 ( -2.306 0.000 0.565) 2.374 4.428 ( -1.116 0.000 -1.482) 1.856 4.586 ( 1.012 0.000 -1.733) 2.007 4.620 ( -1.404 0.000 -0.411) 1.462 4.650 ( 2.033 0.000 -1.549) 2.556 4.664 ( -3.321 0.000 2.382) 4.087 4.769 ( -2.647 0.000 -5.229) 5.861 4.807 ( -1.301 0.000 -1.000) 1.641 4.971 ( 3.973 0.000 -1.102) 4.123 4.987 ( 3.071 0.000 -2.362) 3.874 5.087 ( 2.461 0.000 -1.972) 3.154 5.100 ( 2.488 0.000 0.211) 2.497 5.159 ( 4.724 0.000 1.693) 5.018 5.278 ( -2.572 0.000 0.710) 2.668 5.429 ( -0.251 0.000 1.529) 1.549 5.444 ( -0.744 0.000 -0.689) 1.014 5.493 ( -0.053 0.000 -0.001) 0.053 5.684 ( 3.788 0.000 -3.731) 5.317 5.704 ( 2.108 0.000 2.475) 3.251 6.066 ( -2.001 0.000 -2.572) 3.258 6.251 ( 2.789 0.000 3.553) 4.516 6.462 ( -2.084 0.000 -3.329) 3.927 6.527 ( 1.483 0.000 1.185) 1.898 8.250 ( -0.201 0.000 0.286) 0.349 8.258 ( 0.070 0.000 -0.291) 0.299 9.979 ( 2.309 0.000 0.921) 2.485 10.180 ( 6.933 0.000 -2.116) 7.249 11.284 ( -4.409 0.000 -3.545) 5.657 11.512 ( -4.018 0.000 2.860) 4.932 11.574 ( -2.765 0.000 -3.220) 4.245 11.635 ( 4.979 0.000 -0.021) 4.979 11.890 ( -3.989 0.000 -0.145) 3.992 12.015 ( -1.238 0.000 0.209) 1.255 12.058 ( -2.098 0.000 -3.290) 3.902 12.110 ( 0.096 0.000 8.398) 8.399======================= Grid point 70 (28/72) =======================q-point: (-0.12 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.199 ( -11.498 0.000 0.761) 11.523 0.297 ( -15.523 0.000 5.151) 16.355 0.676 ( -27.504 0.000 17.929) 32.832 1.015 ( 0.155 0.000 -7.146) 7.147 1.124 ( 1.089 0.000 2.377) 2.614 1.175 ( -5.432 0.000 -7.452) 9.221 1.235 ( 3.758 0.000 2.277) 4.394 1.278 ( 2.617 0.000 -3.765) 4.585 1.357 ( -0.562 0.000 4.760) 4.793 1.486 ( -1.913 0.000 0.785) 2.067 1.580 ( -4.325 0.000 4.686) 6.377 1.605 ( 1.616 0.000 3.549) 3.900 1.926 ( 0.202 0.000 -8.792) 8.794 1.966 ( 8.971 0.000 -4.089) 9.859 2.107 ( 4.426 0.000 1.623) 4.714 2.203 ( -2.747 0.000 1.652) 3.205 2.206 ( 3.940 0.000 -2.686) 4.768 2.391 ( -5.243 0.000 1.277) 5.396 2.481 ( 0.562 0.000 -2.813) 2.869 2.584 ( 2.145 0.000 3.243) 3.889 2.698 ( -0.751 0.000 1.316) 1.515 2.709 ( 0.699 0.000 -1.331) 1.504 2.761 ( -4.395 0.000 -1.349) 4.598 2.762 ( 0.078 0.000 -2.024) 2.025 2.782 ( -0.551 0.000 -0.949) 1.097 2.865 ( 0.360 0.000 -1.991) 2.024 2.988 ( 2.001 0.000 -3.782) 4.279 3.027 ( 1.999 0.000 -5.801) 6.136 3.078 ( -4.068 0.000 1.261) 4.259 3.090 ( 0.160 0.000 1.906) 1.913 3.151 ( -0.822 0.000 -2.032) 2.192 3.247 ( 1.986 0.000 1.936) 2.773 3.302 ( 1.813 0.000 -0.213) 1.825 3.336 ( -1.811 0.000 2.645) 3.205 3.378 ( -6.267 0.000 -1.382) 6.418 3.437 ( -1.940 0.000 0.761) 2.084 3.576 ( 3.625 0.000 1.580) 3.954 3.606 ( -3.792 0.000 -0.466) 3.821 3.654 ( 1.131 0.000 3.360) 3.545 3.675 ( 1.317 0.000 -5.778) 5.926 3.780 ( 7.646 0.000 1.169) 7.735 3.800 ( 3.014 0.000 2.178) 3.719 3.874 ( -2.134 0.000 -7.231) 7.540 3.945 ( -0.994 0.000 1.351) 1.677 3.946 ( 2.259 0.000 4.553) 5.083 4.059 ( -4.448 0.000 -1.900) 4.837 4.088 ( -0.064 0.000 3.887) 3.888 4.162 ( 0.017 0.000 4.683) 4.683 4.229 ( -1.555 0.000 -0.407) 1.607 4.258 ( -1.435 0.000 -0.345) 1.476 4.420 ( 0.722 0.000 -0.223) 0.756 4.546 ( -1.068 0.000 -0.087) 1.071 4.591 ( -3.175 0.000 3.267) 4.555 4.651 ( -0.708 0.000 1.777) 1.913 4.655 ( 1.592 0.000 2.224) 2.735 4.687 ( -1.485 0.000 -2.798) 3.167 4.784 ( -0.745 0.000 0.515) 0.906 5.004 ( 1.982 0.000 -2.148) 2.923 5.048 ( 5.554 0.000 -1.249) 5.693 5.111 ( 0.885 0.000 0.419) 0.979 5.136 ( 1.997 0.000 -0.772) 2.141 5.209 ( -4.609 0.000 -3.797) 5.971 5.252 ( 5.139 0.000 -0.680) 5.184 5.425 ( -2.267 0.000 1.929) 2.977 5.428 ( -1.582 0.000 2.034) 2.576 5.494 ( 0.208 0.000 -0.330) 0.390 5.725 ( 0.542 0.000 -1.957) 2.030 5.727 ( 5.098 0.000 -2.535) 5.694 6.037 ( -1.016 0.000 2.297) 2.512 6.306 ( 0.563 0.000 -0.081) 0.569 6.399 ( -1.577 0.000 1.546) 2.208 6.560 ( 0.886 0.000 0.984) 1.324 8.249 ( -0.189 0.000 0.245) 0.309 8.257 ( 0.160 0.000 -0.286) 0.328 10.036 ( 1.960 0.000 2.966) 3.555 10.249 ( 4.583 0.000 -1.677) 4.880 11.185 ( -3.424 0.000 1.305) 3.665 11.463 ( -3.866 0.000 1.076) 4.013 11.525 ( -1.101 0.000 0.695) 1.302 11.714 ( 4.309 0.000 -0.616) 4.353 11.837 ( -2.550 0.000 1.314) 2.869 11.976 ( -2.008 0.000 -2.048) 2.869 12.003 ( -1.053 0.000 -2.180) 2.421 12.190 ( 0.477 0.000 1.073) 1.174======================= Grid point 71 (29/72) =======================q-point: ( 0.00 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( -5.883 10.205 9.467) 15.112 0.485 ( -5.073 8.615 15.360) 18.328 0.841 ( 1.843 9.721 1.785) 10.054 0.914 ( 3.770 7.365 1.753) 8.458 0.991 ( 1.396 2.576 -4.827) 5.646 1.139 ( -0.424 -0.178 2.103) 2.153 1.230 ( -2.755 -2.371 -5.469) 6.567 1.314 ( 1.697 -0.245 1.818) 2.499 1.352 ( -0.625 0.632 2.671) 2.815 1.457 ( -1.355 -1.951 5.580) 6.065 1.543 ( -2.312 -1.109 1.804) 3.135 1.577 ( 2.143 -3.517 4.679) 6.233 1.835 ( 1.150 2.083 -11.227) 11.476 1.980 ( -0.824 1.063 -12.123) 12.197 2.087 ( -2.134 -5.378 1.484) 5.973 2.180 ( -0.219 -3.609 -3.213) 4.837 2.245 ( 2.948 0.040 4.799) 5.632 2.377 ( -0.158 3.428 2.913) 4.501 2.523 ( 0.987 1.320 -1.010) 1.933 2.618 ( -0.772 -1.817 -5.426) 5.774 2.665 ( 2.175 -3.162 1.297) 4.051 2.703 ( -3.086 1.328 0.466) 3.392 2.758 ( -0.420 2.697 -0.782) 2.839 2.782 ( -0.468 0.329 -1.726) 1.818 2.811 ( 2.584 2.422 2.343) 4.247 2.841 ( -4.284 0.973 -0.055) 4.393 2.973 ( 4.875 2.305 3.109) 6.224 3.020 ( 0.138 1.475 -1.054) 1.818 3.081 ( -1.603 0.652 -1.491) 2.284 3.118 ( 0.226 3.063 0.760) 3.164 3.146 ( 1.811 0.767 2.117) 2.889 3.262 ( 0.226 -0.402 0.002) 0.461 3.315 ( -1.158 0.926 -0.380) 1.531 3.321 ( -1.375 -0.476 0.313) 1.489 3.350 ( -3.496 1.850 2.072) 4.465 3.436 ( -1.141 -0.915 -2.632) 3.011 3.462 ( 0.122 0.264 -0.568) 0.638 3.572 ( 0.808 -2.919 0.252) 3.039 3.613 ( -0.165 1.519 2.053) 2.559 3.664 ( -5.128 -1.071 -3.257) 6.168 3.706 ( 1.543 2.620 -4.143) 5.139 3.774 ( 1.679 1.036 -6.250) 6.554 3.891 ( -0.462 2.222 -0.125) 2.273 3.938 ( 1.564 -3.065 3.058) 4.603 3.970 ( -4.505 0.993 -0.876) 4.696 4.046 ( -0.169 -2.722 -0.467) 2.767 4.069 ( 1.797 2.300 4.272) 5.174 4.185 ( -0.302 0.623 4.194) 4.251 4.263 ( -0.855 1.926 1.753) 2.741 4.286 ( 0.030 2.510 0.871) 2.657 4.401 ( -1.020 -3.211 1.277) 3.603 4.540 ( 0.141 -1.710 -0.055) 1.717 4.563 ( 0.091 -4.069 0.027) 4.070 4.647 ( -0.995 0.727 -4.165) 4.344 4.728 ( 1.488 -0.604 5.310) 5.547 4.754 ( 4.501 1.218 4.519) 6.494 4.878 ( 1.881 1.621 -2.540) 3.552 4.995 ( 0.565 -1.772 -4.715) 5.068 5.067 ( 1.793 -1.042 -1.037) 2.319 5.099 ( -2.296 -0.761 1.889) 3.069 5.127 ( 2.253 -0.969 1.907) 3.107 5.188 ( -1.116 0.722 -2.806) 3.104 5.312 ( 2.316 -2.622 0.888) 3.610 5.337 ( -0.320 -2.943 1.451) 3.297 5.419 ( -1.292 -1.655 0.503) 2.160 5.465 ( -0.484 -2.408 -0.057) 2.457 5.708 ( 0.638 -0.161 -1.724) 1.845 5.763 ( -1.964 1.217 -4.526) 5.081 6.070 ( 0.979 -0.205 4.728) 4.833 6.249 ( -1.086 -2.670 -3.501) 4.535 6.463 ( 2.341 -1.007 4.927) 5.547 6.563 ( -0.740 -0.258 -0.560) 0.964 8.255 ( -0.196 0.652 0.207) 0.712 8.264 ( 0.217 0.531 -0.140) 0.590 10.278 ( -1.788 10.453 -3.181) 11.072 10.427 ( 3.060 7.893 -8.530) 12.018 11.323 ( 11.404 -2.529 4.293) 12.445 11.415 ( -0.521 0.196 -1.882) 1.963 11.547 ( -0.969 -0.982 3.949) 4.183 11.678 ( 0.196 -3.218 -1.363) 3.500 11.748 ( -13.919 -7.442 9.308) 18.324 11.886 ( 0.229 2.180 -0.743) 2.314 11.959 ( 2.085 -0.049 0.357) 2.116 12.000 ( 0.665 0.881 -0.708) 1.311======================= Grid point 72 (30/72) =======================q-point: ( 0.12 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.517 ( 5.271 3.047 11.079) 12.641 0.654 ( 5.116 4.259 11.179) 13.011 0.743 ( 4.347 6.385 -6.820) 10.304 0.963 ( 0.582 4.539 -8.581) 9.725 1.096 ( 0.627 -2.056 -0.186) 2.157 1.157 ( 1.634 -3.268 -3.444) 5.021 1.285 ( 7.193 10.585 15.714) 20.266 1.315 ( 0.354 2.117 -3.474) 4.084 1.391 ( 3.667 0.740 0.478) 3.771 1.504 ( -1.084 -0.137 9.888) 9.948 1.552 ( 2.425 -1.408 0.921) 2.951 1.680 ( 1.471 0.099 2.960) 3.307 1.740 ( 4.488 5.240 -10.524) 12.584 1.828 ( -2.569 -2.874 -9.975) 10.694 2.038 ( -4.345 -3.447 1.932) 5.873 2.145 ( -1.946 -3.708 -2.169) 4.716 2.316 ( -1.022 -1.059 1.237) 1.923 2.402 ( 1.628 2.877 3.845) 5.070 2.499 ( -3.687 -3.333 -6.587) 8.251 2.580 ( 3.348 -0.359 1.444) 3.663 2.683 ( -1.160 3.918 2.067) 4.579 2.720 ( 0.545 -1.677 -1.165) 2.113 2.732 ( 0.890 -1.769 0.855) 2.157 2.759 ( 0.326 1.138 -1.343) 1.791 2.816 ( 1.125 1.148 -1.454) 2.167 2.896 ( 2.243 -0.465 1.694) 2.849 2.986 ( -2.097 3.074 -3.131) 4.863 3.053 ( 0.258 2.477 -3.263) 4.104 3.069 ( 1.497 0.425 2.139) 2.645 3.138 ( 3.072 1.985 -0.609) 3.708 3.189 ( -0.828 -0.730 -0.002) 1.104 3.240 ( 1.394 0.511 1.771) 2.311 3.283 ( -1.667 1.365 2.190) 3.072 3.318 ( -0.840 -1.247 1.084) 1.854 3.344 ( -0.409 -0.946 3.684) 3.825 3.391 ( 0.253 -2.304 -3.513) 4.209 3.489 ( -0.263 2.009 1.721) 2.658 3.521 ( -0.289 3.492 -0.912) 3.620 3.591 ( -2.311 0.994 -0.642) 2.597 3.687 ( 3.988 0.177 1.477) 4.257 3.715 ( 1.815 2.240 -3.202) 4.308 3.765 ( 2.847 0.490 -3.499) 4.537 3.881 ( -2.331 1.554 1.766) 3.311 3.898 ( -2.741 1.058 -0.177) 2.943 3.950 ( -1.250 0.518 1.605) 2.100 4.052 ( 0.005 -3.392 1.043) 3.548 4.143 ( 1.787 1.001 2.562) 3.280 4.201 ( 0.831 2.187 -1.223) 2.640 4.254 ( -1.595 1.215 0.066) 2.006 4.308 ( 0.548 1.628 3.510) 3.908 4.431 ( 0.269 -4.208 4.643) 6.272 4.532 ( 0.422 -2.039 -3.479) 4.054 4.567 ( 0.518 -4.862 0.292) 4.898 4.611 ( 0.887 0.591 -1.194) 1.600 4.786 ( 1.540 -0.037 0.817) 1.744 4.839 ( -0.153 2.671 -0.190) 2.682 4.887 ( 2.388 0.736 4.001) 4.718 4.956 ( 1.390 -3.206 -6.311) 7.214 5.037 ( -4.552 0.071 -1.007) 4.663 5.070 ( -1.275 0.455 -0.598) 1.480 5.130 ( -1.864 -0.128 -3.395) 3.875 5.162 ( -2.130 1.226 1.590) 2.927 5.280 ( -1.342 -3.750 -1.253) 4.176 5.383 ( -1.978 -2.054 4.037) 4.943 5.391 ( 0.021 -3.335 -0.718) 3.412 5.472 ( 0.893 -2.559 -0.064) 2.711 5.666 ( -2.848 -0.389 -2.760) 3.985 5.703 ( -1.730 0.552 -0.289) 1.839 6.144 ( 1.394 -0.968 4.191) 4.522 6.192 ( -1.035 -1.599 -3.010) 3.562 6.517 ( -0.955 -0.877 0.055) 1.297 6.542 ( 0.102 -1.248 1.022) 1.616 8.253 ( -0.172 0.633 0.158) 0.674 8.267 ( 0.201 0.631 -0.133) 0.676 10.208 ( -5.418 9.121 1.665) 10.739 10.329 ( -5.048 6.143 -5.057) 9.423 11.365 ( 0.474 -0.018 -3.645) 3.676 11.498 ( 2.588 1.656 -0.286) 3.086 11.547 ( -0.648 -9.251 3.435) 9.890 11.637 ( -2.005 -1.073 -2.407) 3.312 11.754 ( 3.240 -0.649 6.338) 7.148 11.926 ( 3.051 2.201 1.694) 4.126 12.005 ( 1.956 3.070 -1.799) 4.061 12.027 ( 4.288 -3.628 0.516) 5.640======================= Grid point 73 (31/72) =======================q-point: ( 0.25 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.694 ( 9.296 11.108 -2.110) 14.637 0.777 ( 4.423 2.951 4.462) 6.941 0.899 ( 4.986 6.347 -5.398) 9.710 0.939 ( 7.318 -0.005 11.517) 13.645 1.094 ( 0.517 0.683 1.592) 1.808 1.198 ( 5.865 0.843 -4.980) 7.740 1.257 ( -3.347 -1.566 -4.086) 5.510 1.341 ( -1.624 3.537 -0.089) 3.893 1.443 ( -3.596 -2.454 4.306) 6.123 1.550 ( -2.306 -5.195 -7.150) 9.134 1.647 ( 4.785 1.691 1.693) 5.350 1.713 ( 6.564 0.610 -4.045) 7.735 1.751 ( 2.372 5.438 2.275) 6.354 1.876 ( 8.039 0.697 5.811) 9.943 1.992 ( -3.138 -1.099 -0.469) 3.358 2.109 ( 0.060 -0.562 2.191) 2.263 2.285 ( -0.451 -1.359 -0.870) 1.675 2.364 ( -4.801 -0.454 -1.875) 5.175 2.496 ( 3.064 2.192 0.320) 3.781 2.622 ( -0.213 -4.456 0.040) 4.462 2.675 ( -1.502 2.276 1.301) 3.021 2.695 ( 1.713 1.458 -2.641) 3.470 2.758 ( -1.281 0.242 2.139) 2.504 2.781 ( 1.103 -0.238 0.749) 1.354 2.824 ( 1.148 2.824 -1.251) 3.295 2.883 ( -3.222 -0.096 -1.109) 3.409 2.918 ( -0.988 2.436 -3.877) 4.684 3.025 ( 0.789 3.514 -4.303) 5.612 3.062 ( -1.910 0.529 0.320) 2.007 3.182 ( 1.286 1.784 0.372) 2.230 3.193 ( 1.704 -1.262 -0.958) 2.327 3.251 ( -1.272 -0.040 1.259) 1.790 3.321 ( 1.609 -2.722 -1.394) 3.456 3.342 ( 0.861 -2.778 3.445) 4.509 3.390 ( 2.392 0.205 2.089) 3.182 3.407 ( 1.671 -1.578 3.843) 4.479 3.485 ( 1.394 1.747 0.451) 2.280 3.567 ( 2.002 0.171 3.120) 3.711 3.582 ( 1.297 2.081 2.272) 3.343 3.676 ( -2.615 2.266 -3.353) 4.819 3.722 ( -0.058 -1.365 -1.731) 2.205 3.774 ( 0.632 -0.870 -0.359) 1.134 3.838 ( -4.029 -0.039 1.743) 4.390 3.918 ( 1.651 3.031 1.322) 3.696 3.960 ( 0.259 3.779 5.049) 6.312 4.052 ( -0.989 -3.309 0.910) 3.572 4.147 ( -2.218 -1.407 -2.493) 3.621 4.170 ( -0.474 1.312 -5.435) 5.611 4.264 ( 1.937 2.369 1.657) 3.480 4.380 ( 4.259 1.515 3.192) 5.534 4.431 ( -0.951 -1.165 -2.179) 2.648 4.532 ( 0.548 -0.981 2.460) 2.704 4.581 ( 0.619 -4.185 0.006) 4.231 4.656 ( 3.599 -1.154 0.882) 3.881 4.774 ( -1.250 1.335 -3.632) 4.066 4.827 ( 0.055 2.368 -0.271) 2.384 4.921 ( 0.149 -4.330 -4.333) 6.128 4.932 ( -4.227 -0.961 -0.765) 4.402 4.980 ( 0.589 -0.669 2.871) 3.007 5.021 ( -1.195 0.593 -1.832) 2.266 5.068 ( -2.539 0.404 -0.964) 2.746 5.125 ( -0.569 0.454 -1.396) 1.574 5.278 ( -0.997 -4.957 1.370) 5.239 5.328 ( -2.338 -1.843 -2.040) 3.609 5.404 ( -1.403 -3.254 2.258) 4.202 5.483 ( 0.022 -2.813 0.409) 2.842 5.632 ( -2.363 1.193 0.874) 2.787 5.652 ( -1.207 -0.607 -0.646) 1.497 6.111 ( -2.641 -0.910 -2.465) 3.725 6.222 ( 0.392 -0.846 3.238) 3.370 6.484 ( -0.415 0.133 -1.793) 1.846 6.552 ( -0.655 -1.334 0.637) 1.617 8.253 ( -0.006 0.585 0.136) 0.600 8.268 ( 0.148 0.616 -0.170) 0.656 10.131 ( -5.750 6.590 2.354) 9.057 10.193 ( -6.006 6.504 -3.055) 9.365 11.359 ( 3.414 -0.187 -4.234) 5.442 11.498 ( -2.970 0.036 4.701) 5.561 11.581 ( -0.196 -0.651 -2.156) 2.261 11.601 ( 3.253 -3.750 -2.127) 5.401 11.874 ( 4.063 -1.532 4.210) 6.048 11.988 ( 2.206 2.563 1.413) 3.665 12.020 ( 2.084 3.938 -1.921) 4.852 12.105 ( 3.457 -5.316 0.823) 6.394======================= Grid point 74 (32/72) =======================q-point: ( 0.38 0.14 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.774 ( 4.155 9.805 -2.852) 11.024 0.839 ( 1.423 6.022 -0.289) 6.194 1.037 ( 7.587 1.689 4.095) 8.785 1.125 ( -0.650 5.189 -1.956) 5.583 1.143 ( 7.021 0.448 2.528) 7.476 1.218 ( 2.690 2.544 -1.344) 3.939 1.238 ( 4.538 1.438 4.878) 6.816 1.318 ( -0.861 -1.181 0.605) 1.582 1.372 ( -7.630 -3.659 -0.933) 8.513 1.431 ( -5.366 -2.618 0.931) 6.043 1.683 ( 1.346 0.349 -6.409) 6.558 1.755 ( 3.269 0.518 -4.437) 5.535 1.815 ( 3.351 2.171 0.939) 4.101 1.949 ( 0.559 -3.704 0.136) 3.749 2.047 ( 5.750 -0.340 -1.239) 5.891 2.135 ( -0.068 3.542 -2.359) 4.256 2.267 ( -4.730 0.972 5.790) 7.539 2.351 ( 3.302 1.485 1.105) 3.786 2.504 ( -0.063 1.354 -1.929) 2.357 2.599 ( -0.056 -2.853 -3.195) 4.284 2.673 ( -0.573 -1.461 1.939) 2.494 2.719 ( 0.221 1.945 3.436) 3.955 2.749 ( -1.598 1.013 2.503) 3.138 2.780 ( 0.035 2.636 -2.844) 3.878 2.805 ( -2.713 0.949 1.268) 3.141 2.854 ( 0.363 1.131 1.411) 1.845 2.912 ( 1.676 3.109 1.455) 3.819 3.002 ( 0.709 4.326 -2.959) 5.288 3.036 ( -1.172 -0.157 -0.027) 1.183 3.194 ( -0.049 2.228 1.072) 2.473 3.203 ( 1.714 0.585 -2.548) 3.126 3.264 ( 0.887 -1.611 1.534) 2.395 3.294 ( -0.241 -2.269 -5.888) 6.315 3.375 ( 0.531 -3.718 1.719) 4.131 3.429 ( 1.137 -2.052 -0.348) 2.371 3.483 ( 2.281 -0.037 4.046) 4.645 3.531 ( 2.626 -0.387 1.035) 2.849 3.594 ( -2.678 2.423 -2.037) 4.146 3.633 ( 1.834 1.038 1.123) 2.388 3.661 ( 1.129 0.758 5.245) 5.418 3.681 ( -1.911 -0.769 -0.562) 2.135 3.772 ( -5.243 -3.273 -0.104) 6.182 3.787 ( 0.030 -2.147 -1.098) 2.412 3.928 ( 0.319 1.775 0.378) 1.843 3.971 ( -3.386 -2.808 -5.720) 7.216 4.038 ( 0.714 3.034 6.510) 7.218 4.115 ( -0.954 1.095 -4.574) 4.800 4.126 ( 1.128 2.208 2.360) 3.423 4.316 ( 2.009 2.432 1.342) 3.427 4.396 ( -1.107 -0.234 -1.125) 1.596 4.478 ( 4.099 1.333 0.362) 4.326 4.563 ( -0.353 -0.776 1.242) 1.506 4.579 ( -0.071 -2.452 0.198) 2.461 4.713 ( -1.164 1.252 -1.670) 2.390 4.724 ( 3.022 -1.376 0.426) 3.348 4.832 ( 0.680 -0.014 -0.246) 0.723 4.873 ( 0.480 -4.168 -3.550) 5.496 4.886 ( -3.513 -1.213 1.535) 4.021 4.953 ( 0.292 -0.225 -3.459) 3.479 4.996 ( -0.202 0.322 -2.081) 2.115 5.095 ( -0.142 -2.079 2.613) 3.342 5.111 ( 2.535 -0.796 -3.407) 4.320 5.226 ( -4.345 -5.657 2.548) 7.575 5.313 ( -1.793 -2.464 2.652) 4.039 5.394 ( 0.184 -0.813 -1.078) 1.363 5.479 ( -0.524 -3.336 -0.237) 3.385 5.577 ( -2.379 3.085 0.587) 3.940 5.672 ( 0.416 -3.648 0.999) 3.805 6.059 ( -1.314 0.489 -0.052) 1.404 6.227 ( -1.938 -0.920 1.075) 2.399 6.478 ( 0.841 0.091 -0.718) 1.109 6.538 ( -0.740 -0.563 -0.570) 1.090 8.255 ( 0.076 0.554 0.149) 0.579 8.268 ( 0.111 0.529 -0.208) 0.580 10.066 ( -3.820 5.612 1.298) 6.912 10.088 ( -3.619 6.255 -1.353) 7.352 11.397 ( 4.613 -0.918 -2.505) 5.329 11.488 ( -2.477 -0.387 2.379) 3.456 11.561 ( -0.668 1.685 0.370) 1.850 11.640 ( 3.014 -3.461 -2.119) 5.055 11.953 ( 1.428 -1.869 2.564) 3.479 12.024 ( 0.949 1.875 0.455) 2.150 12.040 ( 1.979 3.750 -0.858) 4.326 12.146 ( 1.090 -4.001 -0.422) 4.168======================= Grid point 75 (33/72) =======================q-point: (-0.50 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.792 ( -0.904 4.504 -0.794) 4.662 0.854 ( 3.113 7.521 -1.488) 8.275 1.079 ( 1.220 4.158 -2.806) 5.163 1.114 ( -7.487 -3.029 -4.610) 9.300 1.201 ( 1.940 -1.146 2.991) 3.745 1.231 ( -3.276 1.177 3.206) 4.732 1.235 ( -1.229 -1.249 3.130) 3.587 1.352 ( -5.162 1.230 1.423) 5.494 1.412 ( 8.801 9.397 7.392) 14.846 1.483 ( 8.710 -2.144 8.121) 12.100 1.596 ( -1.035 0.508 -10.464) 10.527 1.718 ( -2.959 3.621 -2.677) 5.388 1.841 ( -0.999 -3.085 -4.860) 5.842 1.985 ( 2.578 -1.287 0.890) 3.016 2.022 ( -6.044 4.807 -7.269) 10.605 2.059 ( -0.053 1.967 -5.586) 5.922 2.311 ( 0.866 0.780 6.903) 7.000 2.395 ( 1.295 -1.870 4.307) 4.871 2.488 ( -0.556 0.232 -1.912) 2.005 2.579 ( 1.235 -1.651 -3.929) 4.437 2.677 ( -1.267 -3.127 2.891) 4.443 2.720 ( -1.085 2.659 -0.139) 2.875 2.769 ( 1.422 1.428 0.557) 2.091 2.785 ( -0.666 -0.623 3.816) 3.924 2.811 ( 0.723 0.594 2.776) 2.929 2.869 ( -0.269 3.538 1.088) 3.711 2.960 ( 3.042 1.085 -0.845) 3.339 3.012 ( 0.134 5.489 2.209) 5.918 3.027 ( 0.800 0.427 1.103) 1.427 3.206 ( 0.946 0.009 -2.605) 2.772 3.210 ( 0.155 -0.201 -1.125) 1.153 3.234 ( 0.422 0.674 -3.173) 3.271 3.283 ( -0.394 -3.074 1.098) 3.288 3.382 ( -0.531 -2.140 -0.469) 2.254 3.430 ( -0.345 -2.701 -0.509) 2.770 3.504 ( -2.563 -0.731 -3.871) 4.700 3.549 ( -1.445 0.223 1.893) 2.392 3.583 ( -5.361 0.199 0.762) 5.419 3.611 ( 2.712 0.949 1.575) 3.277 3.655 ( 0.404 -0.299 -1.090) 1.201 3.702 ( -0.831 1.333 1.331) 2.059 3.726 ( 2.662 -1.014 3.248) 4.320 3.773 ( 1.193 -1.578 -2.752) 3.390 3.894 ( -3.027 0.323 -2.180) 3.745 3.934 ( -0.484 1.493 0.006) 1.569 4.051 ( -1.520 -0.535 -2.843) 3.267 4.130 ( 3.105 0.526 4.245) 5.285 4.173 ( 1.539 2.421 1.732) 3.352 4.328 ( -1.070 1.683 -0.291) 2.015 4.382 ( 0.065 -2.263 -1.625) 2.787 4.509 ( -1.234 1.796 1.299) 2.537 4.544 ( -0.762 0.894 0.982) 1.531 4.596 ( 0.434 -1.113 0.612) 1.342 4.687 ( -0.380 0.154 -2.020) 2.061 4.765 ( -0.176 -1.852 0.988) 2.106 4.826 ( -1.586 0.249 1.471) 2.178 4.850 ( 0.564 -0.441 -1.640) 1.789 4.892 ( 2.922 -2.161 -0.517) 3.671 4.945 ( 1.540 -2.107 -2.755) 3.795 4.995 ( 2.051 -0.267 -1.747) 2.707 5.050 ( -2.825 -1.313 -1.162) 3.325 5.108 ( 0.611 0.529 -3.279) 3.377 5.262 ( 2.188 -4.773 3.949) 6.570 5.306 ( -2.422 -4.603 5.695) 7.712 5.392 ( 0.997 -1.745 -2.571) 3.264 5.464 ( -0.294 -4.309 -1.164) 4.473 5.579 ( 0.795 2.152 2.423) 3.337 5.661 ( -1.098 -3.720 -1.221) 4.066 6.080 ( 1.673 0.580 3.364) 3.801 6.190 ( -2.028 -0.462 -1.236) 2.420 6.489 ( 0.612 0.145 0.096) 0.637 6.522 ( -0.218 -0.255 -1.212) 1.257 8.257 ( -0.064 0.574 0.184) 0.606 8.268 ( 0.080 0.503 -0.253) 0.568 10.029 ( -1.683 6.010 0.699) 6.280 10.061 ( 1.848 5.494 -0.625) 5.830 11.453 ( -2.892 -0.333 -0.087) 2.912 11.457 ( 3.675 -2.145 -0.380) 4.272 11.561 ( -0.779 2.453 1.915) 3.208 11.655 ( 1.064 -2.671 -2.204) 3.623 11.974 ( -1.139 -2.235 1.965) 3.186 12.025 ( -0.830 1.288 -0.412) 1.587 12.070 ( 1.255 3.437 0.710) 3.727 12.137 ( -0.610 -2.580 -1.853) 3.235======================= Grid point 76 (34/72) =======================q-point: (-0.38 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.726 ( -5.984 3.663 -3.510) 7.845 0.888 ( 0.750 6.577 -1.991) 6.913 0.958 ( -4.863 0.740 0.902) 5.001 1.063 ( -5.881 2.007 5.690) 8.425 1.175 ( -2.291 -1.075 6.394) 6.877 1.234 ( -4.240 -0.020 -3.096) 5.250 1.292 ( 2.012 -0.157 3.939) 4.426 1.313 ( 2.108 -0.892 1.353) 2.659 1.467 ( -2.391 0.502 -8.927) 9.256 1.599 ( -4.474 3.635 -4.706) 7.441 1.603 ( -1.267 3.225 -3.880) 5.202 1.691 ( 1.708 4.016 10.700) 11.556 1.735 ( -0.765 5.653 0.759) 5.755 1.814 ( -1.366 1.514 -8.005) 8.261 2.003 ( -1.958 -1.672 -1.326) 2.896 2.079 ( 5.160 -0.325 1.152) 5.297 2.357 ( -2.239 -2.056 2.147) 3.722 2.441 ( -1.628 -0.994 0.780) 2.061 2.477 ( 0.573 -0.233 1.156) 1.311 2.549 ( 1.247 -1.304 -3.842) 4.244 2.684 ( -0.046 1.123 0.484) 1.224 2.727 ( 0.088 0.254 3.132) 3.143 2.764 ( -1.756 -1.423 0.028) 2.260 2.826 ( 2.107 -0.939 -0.119) 2.310 2.838 ( -0.002 0.084 2.214) 2.216 2.890 ( 1.791 3.369 0.273) 3.825 3.003 ( 1.524 3.138 -1.088) 3.654 3.008 ( 2.626 -0.222 -2.524) 3.649 3.095 ( 0.963 1.011 5.380) 5.558 3.154 ( -0.810 -0.257 -4.264) 4.347 3.191 ( -1.376 0.415 -4.422) 4.650 3.227 ( 0.902 0.565 -0.502) 1.177 3.298 ( -1.423 -4.089 5.601) 7.080 3.342 ( -2.224 1.209 -3.536) 4.348 3.416 ( -2.797 -1.012 -0.083) 2.976 3.424 ( -0.583 -3.064 3.392) 4.608 3.526 ( -1.615 1.099 -0.419) 1.998 3.540 ( -2.420 -0.622 2.758) 3.721 3.630 ( -2.037 0.791 -1.036) 2.418 3.689 ( 2.400 1.834 1.911) 3.574 3.722 ( 2.282 2.563 -0.655) 3.494 3.781 ( 1.170 -0.020 -0.690) 1.358 3.820 ( 1.564 0.491 -3.465) 3.834 3.837 ( 2.888 -0.411 3.857) 4.836 3.924 ( -1.606 0.372 2.681) 3.147 4.019 ( 0.491 -1.283 -1.596) 2.106 4.182 ( -0.701 1.014 -0.824) 1.483 4.193 ( 0.708 1.535 -0.681) 1.822 4.313 ( -1.032 0.562 0.568) 1.305 4.337 ( -2.185 -0.864 -0.939) 2.531 4.469 ( -4.417 -0.239 1.576) 4.695 4.572 ( 0.249 0.486 2.553) 2.610 4.598 ( -0.254 -0.228 0.319) 0.467 4.657 ( -1.111 -1.607 -1.921) 2.740 4.739 ( -1.709 1.980 -0.297) 2.632 4.818 ( -1.349 -0.123 -1.575) 2.077 4.840 ( 0.582 -0.207 -2.166) 2.253 4.931 ( 0.295 -1.038 -0.944) 1.434 4.943 ( 3.404 -0.819 -0.798) 3.591 5.040 ( 1.184 -1.126 0.222) 1.649 5.049 ( 5.330 -1.756 -0.988) 5.699 5.096 ( 1.492 1.166 -1.706) 2.549 5.280 ( -1.520 -1.786 1.831) 2.975 5.368 ( 0.041 -7.058 2.770) 7.582 5.373 ( 0.838 -3.592 -0.148) 3.692 5.455 ( 0.867 -4.059 -1.513) 4.417 5.627 ( 1.627 -0.694 0.083) 1.771 5.653 ( 2.090 -1.054 1.260) 2.658 6.131 ( -1.539 -0.175 -1.367) 2.066 6.163 ( 2.314 -0.139 2.486) 3.399 6.499 ( -0.157 -0.111 -0.642) 0.671 6.506 ( 0.394 0.124 -0.626) 0.750 8.256 ( -0.224 0.535 0.190) 0.611 8.267 ( 0.065 0.579 -0.250) 0.634 10.035 ( 2.065 7.472 0.390) 7.762 10.127 ( 6.039 4.960 -0.446) 7.828 11.384 ( -3.830 0.080 -2.069) 4.354 11.505 ( 0.197 -4.152 2.116) 4.664 11.571 ( 0.916 2.914 0.503) 3.095 11.632 ( -0.965 -1.153 -2.575) 2.982 11.964 ( -2.997 -3.985 3.624) 6.164 11.993 ( -2.220 2.464 -0.537) 3.360 12.082 ( -0.935 0.611 -0.299) 1.156 12.103 ( -1.005 -0.377 -0.911) 1.408======================= Grid point 77 (35/72) =======================q-point: (-0.25 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.563 ( -8.490 10.321 -0.153) 13.365 0.744 ( -14.177 7.910 2.247) 16.389 1.001 ( 1.154 1.313 2.336) 2.918 1.060 ( -3.247 3.197 3.530) 5.764 1.098 ( -4.149 -1.591 -3.475) 5.641 1.200 ( -8.409 4.430 -0.586) 9.523 1.252 ( -3.466 -0.971 6.139) 7.117 1.355 ( -5.557 3.004 -6.774) 9.263 1.389 ( 5.105 -5.111 1.681) 7.417 1.392 ( -4.413 1.730 -3.692) 6.008 1.503 ( -1.462 -1.569 -2.186) 3.062 1.653 ( -4.787 1.543 0.913) 5.112 1.866 ( 5.153 -3.279 0.162) 6.110 1.912 ( 4.928 6.562 2.750) 8.654 1.990 ( 3.429 -2.816 1.971) 4.855 2.180 ( 5.443 1.676 0.750) 5.744 2.279 ( -4.059 -0.326 -3.187) 5.171 2.385 ( -3.929 -2.104 -0.289) 4.467 2.517 ( 2.737 -0.641 1.334) 3.111 2.555 ( 0.509 1.164 -0.557) 1.387 2.698 ( 0.178 -0.094 0.612) 0.644 2.727 ( -1.232 -0.530 0.231) 1.361 2.753 ( -0.160 1.366 2.342) 2.716 2.807 ( -2.290 -1.240 -1.115) 2.832 2.878 ( -1.098 3.518 -3.722) 5.238 2.893 ( 2.159 -2.875 0.773) 3.677 2.972 ( -0.208 2.901 -5.264) 6.014 3.060 ( 2.509 0.029 0.496) 2.558 3.096 ( -1.103 1.027 -2.937) 3.301 3.122 ( -1.769 0.329 -4.186) 4.556 3.152 ( 0.932 0.766 2.728) 2.983 3.231 ( -0.472 0.862 0.435) 1.075 3.287 ( -0.295 0.334 -0.743) 0.867 3.335 ( -0.868 -5.437 4.804) 7.307 3.386 ( -2.423 1.006 2.265) 3.466 3.482 ( 0.304 -0.089 4.710) 4.721 3.505 ( -1.536 0.375 -0.856) 1.798 3.542 ( -0.837 -0.632 3.530) 3.682 3.609 ( 1.769 0.308 4.652) 4.987 3.712 ( -1.051 0.149 -1.361) 1.726 3.721 ( 0.357 1.595 -3.027) 3.441 3.759 ( 1.086 1.518 -3.680) 4.126 3.861 ( 4.085 0.652 -0.242) 4.144 3.931 ( 0.643 0.602 4.085) 4.179 3.952 ( 1.253 -1.431 2.735) 3.331 4.032 ( 1.485 -2.672 -0.122) 3.059 4.118 ( -2.387 1.335 -2.194) 3.506 4.184 ( -0.934 2.307 0.191) 2.496 4.284 ( -3.078 0.191 1.214) 3.314 4.318 ( -2.187 3.295 2.121) 4.488 4.412 ( -2.356 -1.218 0.034) 2.652 4.572 ( -0.898 -1.346 -0.678) 1.754 4.592 ( -2.042 -1.241 1.011) 2.595 4.636 ( 0.326 -1.337 0.450) 1.448 4.702 ( -2.170 1.281 -2.324) 3.427 4.761 ( -1.765 1.488 -3.334) 4.055 4.829 ( 0.887 0.844 -1.829) 2.201 4.961 ( 3.080 -0.628 0.591) 3.199 4.989 ( 3.816 0.256 -3.131) 4.942 5.061 ( 2.320 -1.729 -2.068) 3.556 5.086 ( 1.624 -2.370 -0.217) 2.881 5.169 ( 4.992 0.960 0.628) 5.122 5.264 ( -2.142 -1.587 1.324) 2.977 5.340 ( -0.643 -5.357 -1.366) 5.565 5.416 ( -0.278 -4.733 2.576) 5.395 5.466 ( 1.254 -2.674 -0.280) 2.966 5.662 ( 4.141 -0.690 -1.160) 4.355 5.717 ( 2.693 -0.028 1.021) 2.880 6.073 ( -2.219 0.425 -2.240) 3.182 6.237 ( 2.265 -1.448 3.192) 4.173 6.460 ( -2.052 0.011 -2.309) 3.089 6.531 ( 1.451 0.279 0.904) 1.732 8.255 ( -0.162 0.476 0.209) 0.545 8.265 ( 0.022 0.613 -0.242) 0.659 10.114 ( 6.921 10.632 1.217) 12.744 10.233 ( 7.202 5.026 -2.103) 9.030 11.289 ( -4.423 0.390 -3.178) 5.460 11.495 ( -3.432 -2.411 2.593) 4.931 11.573 ( -1.505 -0.371 -1.879) 2.436 11.617 ( 2.785 0.655 -1.010) 3.034 11.936 ( -3.944 0.315 2.849) 4.876 11.957 ( -3.059 -3.137 2.878) 5.242 12.037 ( -1.874 -1.731 -2.283) 3.423 12.081 ( -2.872 -0.455 0.923) 3.050======================= Grid point 78 (36/72) =======================q-point: (-0.12 0.14 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.484 ( -7.331 15.044 6.024) 17.786 0.549 ( -11.305 13.271 7.760) 19.083 0.769 ( -15.379 13.862 4.590) 21.207 1.001 ( -1.651 -1.079 -5.309) 5.664 1.105 ( -3.374 -0.027 0.068) 3.375 1.156 ( -4.148 -1.296 -5.223) 6.794 1.224 ( 1.579 0.422 3.643) 3.993 1.260 ( 3.035 -1.762 -0.910) 3.625 1.366 ( -0.942 0.718 1.973) 2.301 1.461 ( -1.283 -1.983 -0.336) 2.386 1.497 ( 0.685 -5.399 5.637) 7.835 1.595 ( -3.600 -1.201 1.200) 3.980 1.873 ( 1.051 -5.001 -3.131) 5.993 2.002 ( 5.512 1.255 -2.533) 6.195 2.089 ( 3.380 -1.169 -1.390) 3.837 2.209 ( -2.276 3.404 0.324) 4.107 2.238 ( 1.234 0.595 -5.619) 5.783 2.336 ( -0.638 -1.515 3.251) 3.643 2.543 ( -0.811 2.511 -0.743) 2.742 2.584 ( 2.488 -0.950 2.102) 3.393 2.685 ( -0.260 -2.511 -1.810) 3.106 2.736 ( -0.490 2.238 1.199) 2.586 2.751 ( -1.042 -0.551 -0.981) 1.534 2.773 ( -0.317 1.343 1.657) 2.156 2.823 ( -1.227 2.137 -3.175) 4.019 2.878 ( -0.351 2.433 -0.638) 2.540 2.954 ( 1.167 -0.489 -2.885) 3.150 3.036 ( -0.528 0.568 -5.349) 5.405 3.098 ( 0.372 1.240 2.334) 2.669 3.103 ( -0.062 0.866 2.651) 2.789 3.147 ( -2.931 1.367 -0.582) 3.286 3.241 ( 1.707 -1.193 -0.072) 2.084 3.310 ( 1.382 0.594 1.076) 1.849 3.347 ( -1.784 -1.133 -0.004) 2.113 3.378 ( -1.997 1.994 3.703) 4.656 3.461 ( -1.794 1.706 0.535) 2.533 3.482 ( -2.041 -2.629 1.072) 3.497 3.554 ( -0.452 -2.983 1.563) 3.398 3.637 ( -4.006 0.569 0.104) 4.048 3.700 ( 0.934 -0.123 -3.454) 3.580 3.758 ( 3.229 0.823 -3.955) 5.171 3.788 ( 5.302 -2.111 5.280) 7.775 3.863 ( -1.728 -1.823 -3.239) 4.099 3.930 ( -1.775 1.310 -1.738) 2.809 3.975 ( 0.142 0.690 5.461) 5.507 4.038 ( -0.742 -3.442 0.079) 3.522 4.096 ( -2.008 2.250 -0.474) 3.052 4.206 ( -0.338 -0.521 -1.553) 1.672 4.242 ( -0.754 0.829 2.729) 2.950 4.298 ( -1.607 3.288 0.061) 3.661 4.401 ( -0.071 -2.049 1.632) 2.620 4.536 ( -0.767 -1.180 -0.736) 1.588 4.564 ( -2.008 -0.945 1.332) 2.588 4.656 ( -0.208 1.010 3.194) 3.357 4.671 ( 1.050 1.642 2.416) 3.104 4.704 ( -1.196 1.262 -3.603) 4.001 4.845 ( 3.009 2.605 -1.665) 4.314 4.997 ( 2.021 -0.689 -1.848) 2.824 5.040 ( 3.747 -0.793 -0.879) 3.929 5.076 ( 1.855 -2.333 -2.396) 3.824 5.112 ( 0.150 -1.586 1.868) 2.455 5.228 ( -1.719 -0.050 -0.365) 1.758 5.243 ( 4.087 -0.870 -1.493) 4.438 5.333 ( -0.037 -4.256 0.924) 4.355 5.422 ( -0.657 -3.762 1.227) 4.011 5.478 ( -0.453 -1.747 0.635) 1.913 5.716 ( 1.544 -0.310 -1.670) 2.296 5.764 ( 4.794 1.800 -2.515) 5.706 6.038 ( -1.162 0.231 1.899) 2.238 6.280 ( 0.192 -2.445 0.061) 2.453 6.412 ( -1.302 1.261 1.176) 2.160 6.561 ( 0.932 -0.088 0.550) 1.085 8.255 ( -0.078 0.547 0.248) 0.606 8.263 ( 0.059 0.542 -0.224) 0.589 10.301 ( 10.735 8.538 0.907) 13.746 10.302 ( 7.842 11.680 -7.016) 15.721 11.199 ( -3.010 1.406 1.422) 3.614 11.455 ( -3.131 -1.004 1.141) 3.481 11.539 ( -1.208 0.992 0.552) 1.658 11.657 ( 2.889 -2.477 -1.268) 4.011 11.903 ( -4.485 -1.029 4.102) 6.164 11.915 ( -5.752 -5.878 2.663) 8.645 11.986 ( -4.708 -4.226 0.154) 6.329 12.011 ( -2.421 0.753 -1.643) 3.021======================= Grid point 79 (37/72) =======================q-point: ( 0.00 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.549 ( -8.877 6.649 11.487) 15.968 0.767 ( -0.925 15.540 3.289) 15.911 0.886 ( 1.351 1.036 -6.660) 6.875 1.015 ( 0.610 3.823 -1.988) 4.352 1.095 ( 0.309 -0.753 -2.195) 2.341 1.122 ( -1.094 -4.472 -0.799) 4.672 1.294 ( 4.833 2.135 -1.111) 5.399 1.341 ( -0.385 5.759 6.331) 8.567 1.359 ( -0.283 2.175 -1.261) 2.530 1.457 ( -1.510 3.608 6.821) 7.863 1.490 ( 3.617 -4.487 4.585) 7.365 1.527 ( 0.329 0.325 2.200) 2.248 1.779 ( 1.164 -4.723 0.333) 4.876 1.998 ( -1.506 -2.625 3.084) 4.321 2.068 ( -1.347 4.702 -12.204) 13.147 2.110 ( -0.070 -3.415 -2.145) 4.033 2.285 ( 0.872 3.987 -2.770) 4.932 2.433 ( 1.019 1.624 0.504) 1.983 2.503 ( -2.648 -2.071 -2.632) 4.269 2.565 ( 0.527 -4.468 1.680) 4.802 2.610 ( 2.074 -1.626 -2.772) 3.824 2.701 ( 0.082 -1.604 -0.286) 1.631 2.756 ( -2.978 -0.560 0.962) 3.179 2.822 ( -0.967 2.425 0.526) 2.664 2.833 ( -1.343 0.288 3.122) 3.411 2.875 ( 0.542 1.725 -0.480) 1.870 3.046 ( 2.215 3.394 -1.629) 4.368 3.069 ( 0.813 3.064 -1.258) 3.410 3.113 ( 0.042 2.658 0.229) 2.668 3.155 ( -0.802 2.566 2.710) 3.817 3.199 ( -0.947 3.023 1.368) 3.451 3.250 ( 1.913 -0.868 0.122) 2.104 3.307 ( -1.498 -0.180 -0.133) 1.514 3.328 ( 0.111 -0.837 -1.684) 1.883 3.394 ( -0.409 0.786 -1.316) 1.587 3.417 ( -3.751 1.528 -6.068) 7.296 3.504 ( 0.255 -2.055 1.809) 2.750 3.515 ( 2.364 1.983 2.066) 3.713 3.652 ( -1.019 1.587 0.611) 1.982 3.658 ( -0.649 1.171 0.570) 1.455 3.756 ( 1.052 2.155 -2.645) 3.571 3.786 ( 0.076 -1.048 -3.475) 3.631 3.845 ( 2.725 -3.530 2.388) 5.059 3.941 ( 0.783 -3.834 -0.397) 3.933 3.952 ( -1.773 2.301 -0.388) 2.931 4.024 ( -1.183 1.060 -0.892) 1.822 4.135 ( 0.076 3.727 2.011) 4.236 4.188 ( 0.674 0.063 5.140) 5.184 4.280 ( 0.805 -0.376 2.353) 2.515 4.327 ( -0.554 -2.094 1.372) 2.564 4.344 ( -1.389 1.624 -1.069) 2.390 4.501 ( -0.691 -1.546 -2.719) 3.203 4.544 ( -0.120 0.887 0.289) 0.941 4.645 ( -0.590 -0.772 -2.970) 3.125 4.704 ( 0.002 -1.056 4.950) 5.061 4.804 ( 2.603 3.212 3.170) 5.210 4.908 ( 1.834 -0.121 -2.162) 2.837 4.939 ( -1.259 -2.432 -4.401) 5.184 5.031 ( 1.787 -2.530 0.417) 3.126 5.074 ( 0.187 -1.214 2.702) 2.968 5.104 ( 0.647 -2.090 1.142) 2.468 5.180 ( -0.708 -1.705 -1.617) 2.455 5.250 ( -1.189 -2.062 2.268) 3.287 5.287 ( 1.283 -2.328 3.646) 4.512 5.360 ( 1.613 -3.547 -0.599) 3.943 5.407 ( -2.240 -3.151 0.671) 3.924 5.715 ( 0.474 0.925 -2.321) 2.543 5.781 ( -1.514 0.355 -5.662) 5.872 6.071 ( 0.851 0.477 3.454) 3.589 6.193 ( -1.334 -2.870 -1.922) 3.703 6.465 ( 0.835 0.990 2.505) 2.820 6.551 ( -0.321 -0.956 -1.103) 1.495 8.271 ( -0.165 0.810 0.241) 0.861 8.276 ( 0.221 0.635 0.029) 0.673 10.446 ( -0.403 7.082 -1.119) 7.181 10.562 ( 0.690 4.582 -7.107) 8.484 11.289 ( 3.583 -0.418 4.943) 6.119 11.395 ( -0.300 -2.169 -1.184) 2.490 11.551 ( -1.939 1.265 2.061) 3.100 11.634 ( -1.661 -1.052 1.337) 2.377 11.695 ( -1.767 0.602 3.516) 3.981 11.875 ( 1.573 -2.591 -3.278) 4.465 11.991 ( -0.574 2.488 1.256) 2.846 12.022 ( 0.879 1.187 -0.142) 1.484======================= Grid point 80 (38/72) =======================q-point: ( 0.12 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.610 ( 3.979 6.080 8.862) 11.460 0.822 ( 2.404 11.132 5.638) 12.707 0.919 ( 8.192 8.046 -3.151) 11.907 1.043 ( 3.060 4.227 -1.389) 5.400 1.068 ( 0.058 -0.892 -2.717) 2.861 1.096 ( 0.506 -2.223 -1.109) 2.536 1.300 ( -1.113 -2.493 -3.959) 4.809 1.371 ( 0.698 -1.656 1.595) 2.402 1.394 ( 1.502 2.004 2.918) 3.845 1.513 ( 1.622 -2.362 0.040) 2.866 1.576 ( 3.309 -0.516 2.322) 4.075 1.654 ( 4.313 -3.992 5.725) 8.204 1.815 ( 4.784 8.171 4.624) 10.538 1.908 ( -0.599 8.116 -13.044) 15.374 1.999 ( -1.623 0.156 3.924) 4.249 2.086 ( -1.329 -1.903 -2.843) 3.670 2.295 ( -1.120 -0.197 -1.296) 1.724 2.406 ( 2.524 -3.721 -3.166) 5.499 2.455 ( -3.683 0.397 1.466) 3.984 2.561 ( -0.218 -1.597 0.923) 1.857 2.670 ( 3.319 -3.334 -1.281) 4.876 2.688 ( 0.885 -2.189 -1.283) 2.688 2.762 ( 0.452 3.052 3.305) 4.521 2.794 ( -1.149 1.786 -0.088) 2.125 2.821 ( -1.281 0.383 0.849) 1.584 2.897 ( 0.156 -0.296 0.339) 0.476 3.033 ( -0.941 2.104 -2.165) 3.162 3.070 ( 1.767 1.354 -1.651) 2.772 3.133 ( -1.851 2.215 -0.356) 2.908 3.173 ( 1.610 2.131 2.813) 3.879 3.191 ( -0.875 1.450 0.879) 1.908 3.251 ( -3.036 0.401 -1.763) 3.534 3.297 ( 1.094 0.073 3.108) 3.296 3.308 ( -1.292 -1.631 0.635) 2.176 3.339 ( -0.522 0.090 -0.820) 0.976 3.387 ( 2.399 3.981 -3.082) 5.577 3.507 ( -0.335 0.128 0.728) 0.812 3.576 ( 1.304 1.542 0.248) 2.035 3.623 ( -1.227 2.281 0.215) 2.599 3.692 ( 2.455 0.026 0.002) 2.455 3.750 ( -0.003 0.340 -3.383) 3.400 3.772 ( 1.919 0.283 -2.117) 2.871 3.862 ( -1.802 -1.602 1.386) 2.781 3.932 ( -1.564 -1.041 0.563) 1.961 3.956 ( 0.708 -2.639 0.594) 2.796 3.982 ( -1.266 1.286 0.725) 1.945 4.181 ( 0.902 2.719 1.285) 3.140 4.246 ( 1.875 1.849 -0.594) 2.700 4.288 ( -0.016 1.316 0.315) 1.354 4.324 ( -0.038 -0.187 2.214) 2.223 4.368 ( 1.328 -1.029 4.531) 4.832 4.469 ( 1.472 -2.260 -4.040) 4.857 4.539 ( -0.782 0.353 0.349) 0.926 4.624 ( 0.597 0.470 -1.046) 1.292 4.756 ( 0.437 -2.958 3.959) 4.962 4.863 ( -1.040 -2.409 -2.724) 3.782 4.872 ( 1.729 -0.280 -1.260) 2.158 4.913 ( 0.415 0.137 -0.450) 0.627 5.044 ( -0.291 -2.211 0.023) 2.230 5.057 ( -4.210 1.116 0.902) 4.448 5.107 ( -0.990 -2.030 -2.194) 3.148 5.171 ( 1.277 -1.660 -0.591) 2.176 5.225 ( -4.756 -0.134 1.561) 5.007 5.326 ( -0.535 -2.593 2.367) 3.552 5.343 ( -1.955 -2.050 0.495) 2.876 5.400 ( 0.274 -4.209 0.554) 4.254 5.667 ( -4.003 0.369 -3.937) 5.627 5.701 ( -1.546 -0.564 -0.396) 1.693 6.125 ( 0.450 -0.744 2.297) 2.456 6.157 ( 0.107 -1.714 -0.974) 1.974 6.500 ( 0.246 -0.475 1.697) 1.779 6.525 ( -0.795 -0.701 -1.328) 1.699 8.269 ( -0.184 0.869 0.155) 0.902 8.280 ( 0.185 0.658 -0.037) 0.684 10.386 ( -5.674 7.836 0.010) 9.675 10.455 ( -5.597 5.554 -3.626) 8.679 11.351 ( 0.339 -1.366 -0.927) 1.685 11.403 ( 1.470 -4.477 1.273) 4.881 11.549 ( 0.449 2.918 1.853) 3.486 11.638 ( 0.568 1.310 -1.280) 1.918 11.737 ( 2.320 -0.888 4.610) 5.237 11.913 ( 5.350 -4.253 -2.170) 7.171 12.005 ( 0.997 2.308 0.948) 2.687 12.051 ( 2.648 1.557 -0.610) 3.132======================= Grid point 81 (39/72) =======================q-point: ( 0.25 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.793 ( 7.597 3.672 5.539) 10.093 0.943 ( 3.963 5.347 6.729) 9.464 1.019 ( 0.274 6.202 0.241) 6.213 1.040 ( 5.137 7.386 -1.291) 9.089 1.135 ( 7.362 -3.004 -1.868) 8.168 1.163 ( 7.431 7.376 2.575) 10.782 1.238 ( -0.640 -1.565 -4.573) 4.876 1.383 ( -1.888 -3.563 3.336) 5.234 1.393 ( -3.930 -3.527 -2.746) 5.952 1.477 ( 1.235 2.263 -7.619) 8.044 1.651 ( 5.743 -1.315 -0.003) 5.892 1.746 ( 3.539 1.784 -1.464) 4.225 1.815 ( -1.036 1.117 -2.448) 2.883 1.942 ( 1.373 5.404 0.258) 5.581 2.008 ( -0.847 1.493 -1.498) 2.278 2.107 ( 4.484 0.655 5.740) 7.314 2.278 ( 2.901 2.604 1.408) 4.144 2.367 ( -3.729 -0.210 -0.442) 3.761 2.485 ( 1.884 -4.155 0.945) 4.659 2.554 ( -0.590 -0.869 0.082) 1.054 2.680 ( -1.188 -1.435 -0.618) 1.963 2.705 ( 3.032 -1.706 -1.249) 3.696 2.783 ( 0.021 1.696 0.462) 1.758 2.814 ( -0.241 3.309 2.342) 4.061 2.820 ( -0.029 -1.588 1.118) 1.942 2.875 ( -0.795 -0.452 -1.638) 1.876 3.009 ( 0.144 4.004 -1.284) 4.208 3.070 ( -0.562 1.144 -0.646) 1.429 3.092 ( -0.194 2.331 -3.347) 4.084 3.158 ( -1.490 0.158 0.820) 1.708 3.231 ( 1.035 1.498 2.512) 3.102 3.250 ( 1.496 -0.452 1.903) 2.462 3.292 ( -0.809 -1.785 -0.007) 1.960 3.319 ( -1.946 2.028 1.653) 3.260 3.367 ( 2.977 -1.520 1.928) 3.859 3.409 ( 1.383 1.747 -0.131) 2.232 3.510 ( 0.620 1.501 -0.624) 1.740 3.578 ( 0.853 1.249 0.084) 1.515 3.634 ( 1.322 2.080 1.283) 2.779 3.702 ( -2.292 0.220 -1.864) 2.962 3.721 ( 0.736 0.341 -1.466) 1.676 3.745 ( -1.737 -2.179 -1.580) 3.204 3.828 ( -4.059 -0.670 1.428) 4.355 3.911 ( -1.692 -6.436 -3.147) 7.362 3.984 ( 2.079 0.241 1.355) 2.493 3.988 ( -0.748 -0.281 3.233) 3.330 4.178 ( -0.718 3.621 0.176) 3.696 4.231 ( 0.454 4.050 -3.629) 5.457 4.315 ( 2.077 2.333 0.358) 3.144 4.383 ( 2.301 -1.149 3.366) 4.237 4.424 ( 1.864 -0.108 1.593) 2.454 4.491 ( 2.880 -2.424 -0.587) 3.810 4.535 ( 0.230 -0.109 0.600) 0.652 4.645 ( 1.755 -0.538 1.116) 2.148 4.775 ( -0.761 -1.720 -0.032) 1.881 4.798 ( -0.605 -3.622 -4.325) 5.674 4.872 ( -1.816 0.208 0.263) 1.847 4.937 ( -0.609 -1.954 0.171) 2.053 4.967 ( -3.485 2.601 -0.006) 4.349 5.023 ( -1.295 -0.950 -2.613) 3.067 5.069 ( 0.396 -1.252 -2.120) 2.494 5.123 ( -5.890 0.656 -0.980) 6.006 5.181 ( -1.466 -3.843 0.681) 4.169 5.299 ( -2.337 -1.653 -0.438) 2.896 5.338 ( -0.159 -3.478 0.590) 3.531 5.407 ( -0.792 -4.281 1.128) 4.497 5.609 ( -1.471 -0.804 1.526) 2.267 5.662 ( -3.185 -0.413 0.326) 3.228 6.100 ( -1.483 -0.084 -1.479) 2.096 6.189 ( 0.252 -2.263 2.282) 3.224 6.487 ( -0.309 0.202 -1.426) 1.473 6.525 ( -0.141 -1.223 0.813) 1.475 8.268 ( -0.034 0.848 0.055) 0.850 8.281 ( 0.055 0.622 -0.154) 0.643 10.280 ( -6.543 7.296 0.732) 9.828 10.328 ( -6.668 6.076 -1.163) 9.096 11.346 ( 1.773 -0.961 -2.569) 3.266 11.428 ( -0.045 -4.850 1.535) 5.087 11.591 ( 2.436 3.226 0.507) 4.074 11.633 ( 0.542 3.519 -0.906) 3.674 11.830 ( 3.291 -2.743 3.692) 5.656 11.974 ( 3.322 -6.390 -1.710) 7.402 12.048 ( 3.028 2.918 0.919) 4.304 12.090 ( 2.715 2.294 -1.066) 3.711======================= Grid point 82 (40/72) =======================q-point: ( 0.38 0.29 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.900 ( 2.147 5.091 0.926) 5.603 1.026 ( -0.034 6.786 0.056) 6.786 1.085 ( 6.606 2.931 2.782) 7.744 1.123 ( 2.442 1.394 1.811) 3.345 1.177 ( -0.148 -0.007 0.601) 0.619 1.251 ( 0.797 -3.166 -3.214) 4.581 1.271 ( 0.332 -1.813 -1.064) 2.128 1.352 ( 6.460 6.466 2.914) 9.593 1.400 ( 3.874 4.884 -0.422) 6.249 1.420 ( -2.142 5.335 -1.437) 5.926 1.706 ( 1.084 1.895 -6.554) 6.908 1.744 ( 1.369 0.620 0.357) 1.545 1.855 ( 1.180 0.245 4.388) 4.551 1.917 ( 2.533 -0.415 -5.638) 6.194 2.018 ( 1.686 -0.762 1.217) 2.215 2.199 ( 1.536 2.335 0.685) 2.878 2.266 ( -4.016 -1.703 1.869) 4.746 2.391 ( 1.046 1.657 1.653) 2.564 2.522 ( 1.674 -3.233 0.607) 3.691 2.530 ( 0.416 1.105 -4.409) 4.565 2.649 ( -2.106 -0.939 1.895) 2.984 2.757 ( 1.566 0.876 0.878) 1.997 2.782 ( -0.509 1.084 1.324) 1.786 2.802 ( -0.293 -1.559 -1.345) 2.080 2.824 ( -0.063 1.816 1.051) 2.099 2.855 ( -0.820 0.788 -0.698) 1.335 3.019 ( 0.993 5.182 0.345) 5.287 3.040 ( -1.206 0.798 -1.223) 1.894 3.088 ( 1.038 3.148 0.584) 3.366 3.171 ( 0.929 -1.529 1.098) 2.099 3.238 ( -0.073 0.452 -1.953) 2.006 3.271 ( 0.240 3.200 -0.022) 3.209 3.293 ( -1.983 1.576 0.548) 2.592 3.314 ( 2.369 -1.819 0.087) 2.988 3.394 ( 1.529 -1.456 -5.092) 5.512 3.465 ( 1.369 -1.926 7.229) 7.605 3.508 ( 1.530 0.075 -0.806) 1.731 3.618 ( -2.717 0.268 -1.700) 3.216 3.643 ( 0.922 -0.461 -0.085) 1.034 3.666 ( -0.486 -0.699 1.035) 1.340 3.694 ( -3.255 -0.628 -0.194) 3.320 3.720 ( -1.305 -0.853 0.475) 1.630 3.770 ( -1.918 0.756 1.801) 2.738 3.841 ( -0.502 -6.164 -2.012) 6.504 3.980 ( -0.574 0.964 -0.506) 1.231 4.032 ( 0.396 -2.563 0.270) 2.607 4.177 ( -0.624 4.142 0.423) 4.210 4.218 ( 0.679 5.650 -0.152) 5.693 4.357 ( 2.370 1.297 -0.003) 2.701 4.404 ( -0.393 0.634 -1.531) 1.703 4.484 ( 2.753 -0.558 0.734) 2.903 4.523 ( 0.202 -2.796 3.025) 4.125 4.560 ( 1.846 -0.279 -0.243) 1.882 4.691 ( 1.109 -2.417 0.642) 2.735 4.732 ( -1.537 1.895 0.013) 2.439 4.782 ( 0.682 -3.826 -0.970) 4.005 4.848 ( -1.997 0.200 2.339) 3.082 4.871 ( -1.090 1.392 -2.410) 2.989 4.959 ( -0.652 0.313 -2.801) 2.893 4.990 ( 0.348 -1.348 -2.325) 2.710 5.042 ( -2.625 -2.828 1.207) 4.043 5.077 ( 1.865 -1.252 -0.293) 2.265 5.149 ( -3.284 -2.821 1.860) 4.711 5.260 ( -2.302 -2.433 0.650) 3.412 5.344 ( 1.152 -4.303 -1.285) 4.636 5.386 ( -1.822 -5.562 -0.886) 5.920 5.604 ( -1.852 -0.951 -0.560) 2.156 5.616 ( -1.777 -0.509 1.773) 2.561 6.073 ( -0.622 0.908 0.402) 1.171 6.192 ( -1.400 -2.452 0.833) 2.944 6.482 ( 0.586 0.319 -0.419) 0.788 6.524 ( -0.301 -0.814 -0.055) 0.869 8.270 ( 0.098 0.787 0.076) 0.796 8.280 ( 0.019 0.571 -0.171) 0.597 10.197 ( -3.938 6.585 0.748) 7.709 10.223 ( -4.539 6.260 -0.408) 7.743 11.365 ( 2.446 -1.863 -1.285) 3.333 11.433 ( -0.550 -4.253 0.506) 4.318 11.623 ( 1.612 4.338 -0.615) 4.668 11.647 ( 0.812 3.695 0.736) 3.854 11.899 ( 1.247 -3.501 2.314) 4.378 11.997 ( 1.663 -5.252 -1.870) 5.818 12.102 ( 2.268 2.176 0.213) 3.151 12.120 ( 1.581 2.179 -0.432) 2.727======================= Grid point 83 (41/72) =======================q-point: (-0.50 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.923 ( -0.424 7.455 0.338) 7.474 0.998 ( -0.550 4.922 -3.040) 5.811 1.104 ( -4.844 2.632 -0.934) 5.592 1.152 ( -0.474 1.244 0.125) 1.337 1.192 ( 1.637 -1.405 0.494) 2.213 1.211 ( 1.374 3.976 0.531) 4.240 1.329 ( -1.789 7.032 -1.938) 7.510 1.370 ( -4.504 0.769 3.245) 5.604 1.433 ( 5.665 -2.626 9.503) 11.370 1.562 ( 7.537 2.163 -2.397) 8.199 1.630 ( 0.321 3.351 -7.309) 8.047 1.770 ( -3.310 3.079 2.672) 5.251 1.826 ( -0.361 1.328 -0.544) 1.480 1.982 ( 4.163 1.352 1.101) 4.513 2.073 ( 1.687 0.476 -0.653) 1.871 2.113 ( -5.532 2.773 -3.439) 7.080 2.301 ( -0.096 -2.521 5.004) 5.604 2.391 ( -1.229 -0.138 0.595) 1.372 2.452 ( -0.476 -1.378 -5.069) 5.275 2.552 ( 1.246 -0.808 -3.831) 4.109 2.646 ( -1.144 -0.565 3.285) 3.524 2.756 ( -1.780 1.046 1.635) 2.634 2.786 ( 0.440 0.762 0.988) 1.323 2.807 ( -1.841 1.758 -1.316) 2.865 2.816 ( 1.119 -0.238 1.472) 1.865 2.885 ( 4.261 -1.720 -0.883) 4.679 3.011 ( -0.393 2.129 -0.889) 2.340 3.043 ( 0.919 3.749 1.083) 4.009 3.111 ( -0.662 0.847 2.415) 2.643 3.189 ( 0.696 -0.373 -0.560) 0.968 3.208 ( -0.906 1.681 -3.219) 3.743 3.254 ( -0.810 1.093 -3.821) 4.056 3.270 ( -2.073 0.750 2.079) 3.030 3.335 ( 0.776 -1.587 0.081) 1.769 3.385 ( 1.207 -1.924 -0.798) 2.407 3.485 ( -4.170 -1.292 -5.413) 6.954 3.544 ( -0.676 -0.641 1.312) 1.609 3.577 ( 1.733 -1.766 4.029) 4.728 3.593 ( -0.257 -0.919 -0.521) 1.087 3.638 ( 1.323 -1.007 -2.172) 2.735 3.707 ( 2.071 -0.882 1.778) 2.869 3.747 ( -1.612 2.050 2.204) 3.414 3.779 ( 1.785 2.542 3.260) 4.502 3.855 ( 0.214 -3.774 -0.145) 3.783 3.961 ( -0.752 0.553 -1.214) 1.531 4.010 ( -1.097 -2.798 -2.343) 3.811 4.172 ( 0.590 3.308 0.861) 3.469 4.238 ( 0.513 3.404 0.557) 3.487 4.362 ( -1.386 0.752 -1.978) 2.529 4.377 ( 0.019 1.762 -1.675) 2.431 4.516 ( -1.521 -0.674 1.943) 2.558 4.548 ( 0.182 -0.376 3.002) 3.031 4.589 ( 1.167 -0.494 0.517) 1.368 4.657 ( -2.361 -2.531 -1.334) 3.709 4.748 ( -0.369 0.612 1.786) 1.924 4.808 ( 1.660 -2.155 1.682) 3.199 4.844 ( -0.091 -0.821 -0.202) 0.850 4.869 ( 1.565 2.071 1.186) 2.854 4.936 ( 1.578 0.223 -4.013) 4.318 4.986 ( 2.699 -0.406 -2.692) 3.833 5.019 ( -1.645 -1.460 0.927) 2.387 5.112 ( -0.691 -0.402 -0.528) 0.959 5.141 ( 1.646 -5.550 5.457) 7.956 5.239 ( -1.194 -2.630 1.239) 3.142 5.332 ( -1.527 -5.045 -3.305) 6.221 5.350 ( 1.031 -5.728 -2.203) 6.222 5.580 ( 0.260 -2.219 -0.250) 2.248 5.600 ( -0.931 -1.517 -0.349) 1.814 6.092 ( 0.968 0.571 2.652) 2.880 6.168 ( -1.439 -1.728 -0.632) 2.336 6.493 ( 0.598 0.278 0.364) 0.753 6.516 ( -0.312 -0.343 -0.625) 0.779 8.272 ( -0.032 0.778 0.149) 0.793 8.279 ( 0.089 0.582 -0.179) 0.616 10.165 ( -0.683 6.683 0.592) 6.744 10.185 ( 0.858 5.975 -0.192) 6.039 11.395 ( 1.502 -3.130 0.205) 3.478 11.416 ( -1.397 -3.193 -0.641) 3.543 11.645 ( 1.127 5.247 0.351) 5.378 11.654 ( -0.664 2.897 0.061) 2.972 11.913 ( -1.711 -3.800 1.590) 4.460 12.000 ( 0.794 -4.305 -1.890) 4.768 12.122 ( -0.642 1.512 0.094) 1.646 12.132 ( 0.805 2.524 -0.316) 2.668======================= Grid point 84 (42/72) =======================q-point: (-0.38 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.875 ( -3.942 9.162 -0.447) 9.984 0.988 ( -2.595 2.578 2.547) 4.457 1.022 ( -3.307 6.231 -0.717) 7.091 1.101 ( -4.373 1.708 1.879) 5.057 1.201 ( -1.137 3.727 -1.221) 4.083 1.222 ( -2.444 -1.524 -0.346) 2.901 1.300 ( -1.440 0.032 2.615) 2.985 1.346 ( -1.184 5.633 5.965) 8.289 1.478 ( -2.994 0.800 -8.908) 9.432 1.575 ( -1.826 -2.710 -2.002) 3.832 1.630 ( -0.509 -4.500 -0.733) 4.588 1.696 ( 2.534 0.227 -2.388) 3.490 1.898 ( -6.824 8.580 2.178) 11.177 1.954 ( 0.854 7.460 1.874) 7.739 2.015 ( -4.350 3.487 -4.676) 7.276 2.091 ( 4.532 1.867 2.386) 5.452 2.304 ( -1.921 -3.153 0.163) 3.696 2.390 ( -0.646 -1.618 4.090) 4.446 2.468 ( 2.104 -4.233 -0.266) 4.735 2.503 ( -0.033 -0.441 -4.970) 4.990 2.671 ( 0.178 -1.832 2.349) 2.984 2.748 ( -0.437 0.918 -0.228) 1.042 2.773 ( -0.821 1.388 0.513) 1.692 2.810 ( 0.941 -0.375 0.445) 1.106 2.844 ( -0.670 0.264 1.943) 2.072 2.931 ( 2.995 -0.413 -2.907) 4.194 3.013 ( 1.938 2.057 -0.519) 2.874 3.082 ( 1.980 2.130 0.802) 3.017 3.115 ( -0.870 1.807 2.021) 2.847 3.149 ( -2.228 -0.712 -2.729) 3.594 3.181 ( -0.911 -1.491 1.472) 2.284 3.205 ( -1.032 -0.337 -2.268) 2.514 3.253 ( -1.951 0.013 1.752) 2.623 3.363 ( -1.400 0.385 -1.924) 2.410 3.376 ( 0.622 -1.077 5.022) 5.174 3.414 ( 0.334 0.402 -2.845) 2.893 3.529 ( -0.658 -0.095 -0.329) 0.742 3.557 ( -0.669 1.427 -0.151) 1.583 3.633 ( 0.970 -0.705 -2.077) 2.399 3.717 ( 6.059 -2.370 1.698) 6.724 3.739 ( -2.110 1.416 1.090) 2.765 3.766 ( 1.671 -0.297 2.442) 2.974 3.825 ( 1.251 -0.514 -3.737) 3.974 3.854 ( 2.240 2.114 2.330) 3.862 3.931 ( -1.684 0.016 0.291) 1.709 3.978 ( -0.066 -2.099 -0.918) 2.292 4.209 ( -0.711 1.625 -0.350) 1.808 4.221 ( 0.566 1.284 -0.926) 1.681 4.337 ( -2.409 1.328 -1.373) 3.074 4.344 ( -0.214 1.074 0.914) 1.426 4.478 ( -4.694 1.171 2.498) 5.445 4.570 ( -1.377 -0.348 2.512) 2.886 4.595 ( -1.380 -1.141 0.860) 1.986 4.607 ( -1.069 -1.845 -2.095) 2.989 4.744 ( -1.236 -1.418 -0.340) 1.912 4.828 ( 0.660 0.442 -0.388) 0.884 4.860 ( 0.906 1.946 -0.439) 2.191 4.910 ( -0.240 -1.068 -1.072) 1.532 4.927 ( 3.098 -0.432 1.076) 3.308 5.017 ( 3.012 -1.034 -2.906) 4.311 5.027 ( 2.561 0.549 -1.810) 3.184 5.119 ( 2.351 0.579 0.352) 2.447 5.215 ( -1.204 -5.568 5.254) 7.750 5.239 ( 0.620 -3.838 -0.650) 3.942 5.286 ( 0.725 -4.611 -1.500) 4.903 5.354 ( 1.895 -5.473 -1.954) 6.112 5.587 ( 1.685 -2.207 -0.241) 2.788 5.626 ( 3.371 -2.157 1.194) 4.177 6.124 ( -1.229 -0.450 -0.350) 1.354 6.151 ( 1.296 -0.992 1.602) 2.287 6.498 ( -0.744 0.106 -0.882) 1.159 6.510 ( 0.718 0.088 0.426) 0.840 8.270 ( -0.224 0.781 0.090) 0.817 8.280 ( 0.099 0.627 -0.184) 0.661 10.195 ( 3.854 7.499 0.592) 8.452 10.241 ( 5.602 5.592 -0.241) 7.919 11.368 ( -2.720 -1.577 -1.688) 3.568 11.418 ( 0.246 -4.026 0.915) 4.136 11.627 ( -2.005 2.513 -0.494) 3.253 11.665 ( 0.626 4.797 0.503) 4.864 11.877 ( -4.426 -4.484 2.342) 6.722 11.988 ( -0.190 -3.712 -1.801) 4.130 12.091 ( -2.731 2.376 0.022) 3.620 12.132 ( -0.834 1.612 -0.247) 1.831======================= Grid point 85 (43/72) =======================q-point: (-0.25 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.807 ( -6.907 9.040 3.430) 11.882 0.871 ( -11.371 8.004 6.120) 15.193 1.032 ( 0.313 -0.476 -1.033) 1.180 1.053 ( -2.156 -0.119 0.708) 2.272 1.131 ( -5.973 2.452 2.623) 6.969 1.194 ( -1.072 0.003 1.643) 1.962 1.300 ( -1.788 1.860 -4.619) 5.291 1.365 ( -0.723 1.988 -3.129) 3.777 1.374 ( 0.918 -0.496 -1.203) 1.592 1.474 ( -2.275 -0.931 -0.867) 2.606 1.530 ( -8.579 5.359 -3.667) 10.759 1.686 ( -8.823 5.054 -3.384) 10.717 1.773 ( 0.573 -4.119 1.385) 4.383 1.914 ( -1.019 -0.346 -0.784) 1.331 2.073 ( 4.213 4.033 0.860) 5.896 2.206 ( 2.867 -0.122 6.551) 7.152 2.265 ( 0.439 -0.221 -3.063) 3.103 2.393 ( -1.764 2.593 -0.667) 3.206 2.474 ( 1.448 -3.043 1.537) 3.704 2.530 ( 2.477 -2.280 0.186) 3.372 2.672 ( -1.150 -2.065 0.040) 2.364 2.733 ( -0.391 -2.429 -2.274) 3.350 2.773 ( -1.264 1.669 2.749) 3.455 2.808 ( -1.476 2.225 0.968) 2.840 2.847 ( -0.114 -1.441 0.590) 1.561 2.925 ( 0.183 0.839 -3.320) 3.429 3.056 ( 2.673 2.489 -0.438) 3.679 3.087 ( 0.276 1.016 -3.153) 3.324 3.116 ( 0.366 1.852 1.779) 2.594 3.124 ( -2.010 1.276 1.159) 2.648 3.169 ( -0.774 1.572 -1.224) 2.137 3.229 ( 2.526 -1.209 3.707) 4.646 3.238 ( -0.926 -0.709 1.553) 1.943 3.342 ( 0.475 2.466 -1.706) 3.036 3.382 ( -0.080 -0.206 -1.318) 1.337 3.467 ( 0.376 -2.257 6.546) 6.934 3.519 ( 1.110 0.794 0.059) 1.366 3.563 ( -0.325 2.436 1.887) 3.098 3.620 ( 0.065 0.505 -1.046) 1.164 3.687 ( -2.330 -0.760 -3.046) 3.910 3.761 ( -1.596 0.368 -2.052) 2.625 3.796 ( 2.322 1.486 -2.649) 3.824 3.829 ( 2.165 -2.333 -0.833) 3.290 3.913 ( 3.150 -2.676 -0.764) 4.203 3.947 ( 0.440 -0.316 3.664) 3.703 3.988 ( 0.900 -0.246 0.894) 1.292 4.155 ( -1.572 2.569 -0.628) 3.077 4.224 ( -1.936 2.156 -0.480) 2.937 4.293 ( -2.862 0.186 2.513) 3.813 4.345 ( -1.195 -1.382 -0.309) 1.853 4.420 ( -3.989 2.461 1.786) 5.016 4.540 ( -1.088 -1.271 -2.297) 2.842 4.578 ( -2.290 -0.392 1.591) 2.816 4.606 ( 1.145 -1.606 2.004) 2.811 4.709 ( -1.675 -0.113 -0.378) 1.721 4.813 ( -1.255 2.878 -4.036) 5.114 4.849 ( 0.953 1.488 -0.618) 1.872 4.938 ( 2.651 -2.133 0.548) 3.446 4.984 ( 1.948 -1.384 0.614) 2.467 5.030 ( 1.471 -1.976 -1.582) 2.928 5.047 ( 3.539 0.588 -4.340) 5.631 5.170 ( 3.254 -1.392 -1.448) 3.824 5.211 ( -0.980 -3.513 1.324) 3.880 5.242 ( -0.431 -4.265 1.607) 4.578 5.313 ( 1.360 -4.408 -0.346) 4.626 5.386 ( 2.066 -4.881 1.154) 5.424 5.658 ( 5.743 0.112 0.491) 5.766 5.704 ( 4.109 -1.044 1.037) 4.364 6.081 ( -1.990 0.584 -1.398) 2.501 6.196 ( 1.117 -2.468 2.205) 3.493 6.469 ( -1.346 0.918 -1.089) 1.959 6.531 ( 1.171 -0.367 0.433) 1.301 8.268 ( -0.126 0.755 0.084) 0.770 8.279 ( -0.033 0.623 -0.183) 0.650 10.303 ( 7.649 7.471 0.777) 10.721 10.355 ( 8.666 6.142 -1.261) 10.697 11.297 ( -3.511 0.407 -1.900) 4.013 11.421 ( -0.841 -4.096 0.967) 4.292 11.586 ( -2.111 1.919 -0.271) 2.866 11.672 ( 0.259 4.142 -0.639) 4.199 11.815 ( -6.679 -5.744 4.473) 9.879 11.958 ( -1.190 -3.626 -2.010) 4.313 12.041 ( -3.269 3.186 0.657) 4.612 12.095 ( -2.874 1.133 -0.827) 3.199======================= Grid point 86 (44/72) =======================q-point: (-0.12 0.29 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.666 ( -15.866 4.264 11.267) 19.922 0.791 ( -4.145 13.730 1.954) 14.475 0.964 ( -3.884 -0.104 -3.256) 5.069 1.042 ( -1.277 2.912 -1.181) 3.392 1.084 ( 0.570 -1.387 -0.046) 1.500 1.171 ( -1.778 -1.128 -2.059) 2.945 1.269 ( 0.243 1.587 -2.232) 2.749 1.320 ( -5.327 11.197 2.908) 12.736 1.352 ( 2.833 -1.351 -2.408) 3.956 1.415 ( 0.774 0.587 0.817) 1.269 1.471 ( -3.939 1.848 4.221) 6.062 1.563 ( -4.470 -0.783 -0.261) 4.546 1.755 ( -0.249 -5.805 0.447) 5.828 1.962 ( 2.243 -2.609 3.086) 4.622 2.095 ( 1.616 -0.820 -3.487) 3.929 2.209 ( -2.102 -1.589 -4.702) 5.390 2.320 ( 0.982 4.309 -1.406) 4.637 2.366 ( 2.774 4.470 0.560) 5.290 2.509 ( 0.527 -4.371 3.189) 5.437 2.561 ( 0.706 -1.465 -2.116) 2.668 2.645 ( -1.031 -1.327 -2.124) 2.708 2.701 ( -0.936 -3.116 0.191) 3.259 2.786 ( -1.126 -0.296 3.680) 3.860 2.809 ( 0.570 3.404 0.719) 3.525 2.830 ( -1.387 -0.972 -0.802) 1.874 2.896 ( -1.310 0.643 -0.557) 1.562 3.045 ( 0.827 3.596 -2.994) 4.752 3.069 ( -1.532 5.232 -2.495) 5.996 3.117 ( 1.827 1.103 -0.433) 2.178 3.154 ( 0.342 4.407 3.151) 5.429 3.166 ( -0.069 0.608 1.611) 1.724 3.233 ( 0.398 -0.126 0.038) 0.420 3.308 ( 1.635 -0.089 1.442) 2.182 3.338 ( 0.841 -0.198 -1.246) 1.516 3.389 ( 0.726 -1.198 1.487) 2.043 3.459 ( -1.209 0.575 -0.563) 1.452 3.509 ( -2.254 0.850 -1.762) 2.984 3.560 ( -4.058 3.730 0.050) 5.512 3.638 ( 0.525 0.011 -0.925) 1.064 3.701 ( 1.058 -3.454 3.268) 4.871 3.709 ( 1.294 -1.185 3.354) 3.785 3.790 ( 1.499 1.640 -5.098) 5.561 3.832 ( 0.051 -1.125 -4.149) 4.299 3.924 ( 1.654 -3.573 -1.037) 4.072 3.985 ( -0.224 -0.209 0.023) 0.307 4.007 ( 0.071 2.073 2.387) 3.162 4.152 ( -1.483 3.072 2.044) 3.977 4.187 ( -2.035 -0.521 0.694) 2.212 4.253 ( -2.616 0.247 0.972) 2.801 4.323 ( -0.622 -2.246 1.349) 2.692 4.381 ( -2.414 1.840 0.517) 3.079 4.521 ( 0.807 -0.424 -1.864) 2.075 4.553 ( -1.909 0.052 0.948) 2.132 4.652 ( 1.002 -2.219 2.155) 3.252 4.693 ( -1.020 1.671 0.646) 2.062 4.758 ( -0.171 3.677 -1.182) 3.866 4.879 ( 2.745 1.120 -0.573) 3.020 4.978 ( 1.733 -1.222 -2.108) 2.990 4.994 ( 1.044 -3.437 -0.890) 3.701 5.045 ( 1.013 -1.614 0.192) 1.915 5.074 ( 2.515 -1.696 -0.672) 3.107 5.202 ( -1.719 -2.542 1.790) 3.552 5.221 ( 3.964 -1.417 -1.071) 4.343 5.251 ( -0.661 -3.706 2.105) 4.313 5.330 ( 1.693 -4.209 -0.566) 4.572 5.420 ( -0.078 -3.770 1.639) 4.112 5.720 ( 1.878 0.867 -1.845) 2.771 5.787 ( 4.956 0.474 -1.937) 5.342 6.050 ( -1.114 1.106 1.205) 1.979 6.218 ( -0.294 -3.580 0.354) 3.610 6.446 ( -0.577 2.028 0.494) 2.165 6.552 ( 0.887 -0.888 -0.157) 1.265 8.269 ( 0.068 0.737 0.200) 0.767 8.276 ( -0.083 0.623 -0.087) 0.634 10.417 ( 4.872 6.149 -0.829) 7.889 10.509 ( 10.942 5.989 -3.829) 13.048 11.237 ( -2.009 2.275 1.339) 3.317 11.411 ( -1.041 -3.251 0.399) 3.437 11.559 ( -1.223 1.447 0.751) 2.038 11.663 ( -0.075 2.065 -1.724) 2.691 11.737 ( -8.337 -4.849 6.337) 11.540 11.910 ( -1.631 -3.281 -2.742) 4.576 12.003 ( -2.244 3.273 1.298) 4.175 12.037 ( -2.222 1.461 -0.870) 2.798======================= Grid point 87 (45/72) =======================q-point: ( 0.00 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.708 ( -3.979 9.020 6.211) 11.652 0.865 ( 0.407 -4.416 0.390) 4.452 0.970 ( 0.117 0.937 0.503) 1.070 0.992 ( 0.774 -3.498 -0.648) 3.640 1.117 ( -0.126 9.054 1.049) 9.115 1.189 ( -0.399 6.327 -2.168) 6.700 1.289 ( 1.197 -0.324 2.398) 2.700 1.354 ( 3.957 -1.215 -1.563) 4.425 1.369 ( -1.877 -1.724 0.482) 2.594 1.408 ( 0.593 -4.863 2.460) 5.482 1.467 ( -1.073 -0.294 0.224) 1.135 1.514 ( -0.694 -4.518 0.956) 4.670 1.876 ( 1.998 11.313 3.391) 11.978 1.983 ( 0.920 0.194 1.821) 2.050 2.047 ( -0.243 -2.166 1.255) 2.516 2.088 ( 0.494 -2.854 -2.486) 3.817 2.367 ( 0.277 2.855 -4.286) 5.157 2.418 ( 0.611 -2.247 -5.822) 6.271 2.482 ( -1.937 -1.597 3.145) 4.024 2.500 ( -2.565 -0.456 -0.506) 2.654 2.594 ( 1.594 1.392 -3.141) 3.788 2.653 ( 1.261 -2.976 -1.973) 3.786 2.773 ( -0.803 1.901 3.744) 4.275 2.813 ( -2.161 -1.696 4.349) 5.144 2.870 ( -0.646 1.732 -0.467) 1.907 2.891 ( 0.088 -0.240 -0.825) 0.864 3.102 ( 1.143 2.382 -1.448) 3.012 3.120 ( -0.749 1.136 -1.638) 2.129 3.166 ( 0.653 2.536 -0.039) 2.619 3.192 ( -2.151 0.089 -1.044) 2.393 3.239 ( 1.181 0.616 -0.855) 1.583 3.262 ( -0.648 1.269 -0.135) 1.431 3.287 ( -0.733 -0.328 -0.081) 0.807 3.319 ( 0.351 -1.208 -0.003) 1.258 3.385 ( -0.537 1.855 -0.533) 2.003 3.454 ( -0.091 -3.006 -1.171) 3.227 3.487 ( 0.453 3.045 -2.170) 3.767 3.531 ( 1.266 -0.965 -0.404) 1.643 3.682 ( -0.185 1.330 1.590) 2.081 3.694 ( -2.380 1.595 3.853) 4.802 3.735 ( 1.153 -0.897 0.462) 1.532 3.780 ( -0.396 -1.297 -1.586) 2.087 3.822 ( 3.184 0.093 -3.411) 4.667 3.848 ( 2.273 -3.289 -2.951) 4.969 4.007 ( -1.948 2.322 0.487) 3.070 4.036 ( -1.644 -0.360 0.062) 1.684 4.191 ( 0.450 1.655 3.980) 4.333 4.209 ( -0.200 1.549 3.402) 3.743 4.253 ( 1.436 -1.227 2.801) 3.379 4.278 ( -0.474 -2.145 1.956) 2.941 4.406 ( 0.282 3.645 -2.713) 4.552 4.470 ( 0.235 -2.243 -4.109) 4.687 4.576 ( -1.478 2.268 1.316) 3.010 4.619 ( -0.925 -1.758 1.472) 2.472 4.716 ( -0.579 2.650 -0.996) 2.889 4.808 ( -0.925 -5.996 -2.897) 6.723 4.882 ( 1.833 4.169 1.582) 4.821 4.951 ( 0.248 -0.903 -0.973) 1.350 4.988 ( 0.557 -0.457 0.718) 1.017 5.029 ( 0.963 -3.976 -1.187) 4.259 5.076 ( 1.296 1.599 3.147) 3.760 5.132 ( 0.306 -3.059 0.158) 3.078 5.237 ( 0.103 0.145 3.669) 3.673 5.249 ( 1.348 -1.173 4.742) 5.068 5.317 ( 0.052 -0.247 -0.149) 0.293 5.346 ( -1.942 -2.683 0.896) 3.431 5.743 ( -0.372 1.694 -3.662) 4.052 5.773 ( -1.095 -1.132 -5.054) 5.294 6.093 ( 0.276 1.701 1.781) 2.478 6.137 ( -0.585 -2.645 -0.092) 2.710 6.493 ( 0.253 1.664 0.343) 1.717 6.526 ( -0.023 -1.516 -0.869) 1.748 8.284 ( -0.039 0.416 0.234) 0.479 8.286 ( 0.124 0.219 0.162) 0.299 10.560 ( -0.005 4.170 -1.419) 4.405 10.605 ( 0.155 -0.182 -3.526) 3.534 11.303 ( 0.756 1.609 2.322) 2.925 11.345 ( 0.035 -2.495 0.232) 2.506 11.585 ( -1.094 1.833 2.224) 3.083 11.616 ( -1.157 -1.179 2.805) 3.256 11.739 ( 0.348 3.292 -0.982) 3.453 11.810 ( 0.990 -3.602 -2.545) 4.520 12.031 ( -0.336 1.249 0.431) 1.363 12.039 ( 0.333 0.354 0.071) 0.491======================= Grid point 88 (46/72) =======================q-point: ( 0.12 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.759 ( 3.157 8.636 5.665) 10.800 0.922 ( 4.668 -5.916 1.587) 7.701 0.991 ( 2.257 2.396 -0.267) 3.302 1.017 ( 3.335 -2.474 -1.488) 4.411 1.120 ( 0.099 7.477 -0.809) 7.522 1.207 ( 3.816 5.205 -1.520) 6.631 1.303 ( -0.156 3.624 0.509) 3.663 1.343 ( -1.540 -1.064 0.559) 1.954 1.392 ( -1.294 -3.003 -0.170) 3.275 1.458 ( 5.731 -1.937 -3.548) 7.013 1.508 ( 3.892 -3.132 3.458) 6.076 1.543 ( 3.637 -5.245 2.749) 6.949 1.987 ( 5.913 4.188 3.263) 7.947 2.011 ( 1.964 2.776 -2.664) 4.320 2.049 ( -0.987 2.536 0.108) 2.724 2.063 ( -1.612 -0.084 -1.177) 1.998 2.335 ( 0.716 4.013 -2.372) 4.716 2.365 ( 1.033 0.088 -2.948) 3.125 2.434 ( -4.408 -1.359 0.461) 4.635 2.499 ( -1.304 -5.680 4.425) 7.317 2.616 ( 3.172 0.086 -2.369) 3.960 2.649 ( 1.109 -2.160 -2.335) 3.369 2.814 ( -1.878 1.296 1.530) 2.747 2.815 ( 1.238 1.706 3.498) 4.084 2.845 ( -0.540 0.961 -0.126) 1.109 2.874 ( -1.182 -1.709 -0.876) 2.255 3.076 ( -1.255 2.223 -1.127) 2.791 3.105 ( -0.677 0.470 -0.825) 1.166 3.146 ( -1.253 1.292 -0.163) 1.807 3.188 ( 0.273 -1.241 1.178) 1.733 3.232 ( -0.895 1.614 0.162) 1.853 3.265 ( -0.113 -1.641 0.625) 1.760 3.272 ( -2.682 1.215 -1.739) 3.419 3.292 ( 0.605 -0.738 1.303) 1.614 3.382 ( 0.376 3.905 0.573) 3.965 3.444 ( 0.795 -0.861 -1.414) 1.836 3.526 ( 3.679 3.032 -0.859) 4.844 3.579 ( 3.569 -1.297 -1.052) 3.941 3.669 ( -2.189 2.123 1.646) 3.465 3.687 ( -0.442 -0.181 0.642) 0.801 3.726 ( -1.059 -1.196 -1.545) 2.223 3.761 ( -1.573 -3.153 -1.671) 3.899 3.838 ( 1.366 -0.495 -2.500) 2.892 3.850 ( 0.284 -1.714 -1.541) 2.322 3.983 ( -2.048 1.576 2.139) 3.354 3.999 ( -2.157 0.057 1.183) 2.461 4.239 ( 1.102 2.753 1.677) 3.407 4.270 ( 2.820 0.537 1.366) 3.179 4.289 ( 1.172 -0.850 2.081) 2.535 4.299 ( 0.136 -1.566 2.279) 2.769 4.401 ( 1.758 3.009 -1.604) 3.836 4.445 ( 2.200 -1.034 -4.308) 4.947 4.560 ( -1.552 1.886 1.281) 2.759 4.611 ( -1.269 -2.387 1.146) 2.936 4.717 ( 0.308 0.638 1.147) 1.348 4.775 ( -0.024 -4.406 -1.536) 4.666 4.909 ( -0.195 2.247 0.886) 2.423 4.922 ( -1.835 0.530 -1.391) 2.363 4.994 ( 0.212 -1.348 -0.525) 1.462 5.036 ( 0.320 -4.194 -0.615) 4.251 5.097 ( -1.252 2.006 -0.195) 2.372 5.135 ( 0.460 -1.648 -0.968) 1.965 5.251 ( -3.693 2.277 1.463) 4.578 5.293 ( -1.383 -0.921 -0.494) 1.734 5.309 ( -0.887 -1.231 3.047) 3.404 5.320 ( -1.065 -3.288 3.592) 4.985 5.676 ( -4.036 0.513 -3.288) 5.231 5.687 ( -2.874 -0.671 -1.654) 3.383 6.118 ( 0.203 0.073 1.040) 1.062 6.129 ( 0.176 -1.016 0.112) 1.037 6.500 ( -0.032 0.357 0.426) 0.557 6.511 ( -0.506 -0.704 -0.969) 1.300 8.284 ( -0.083 0.551 0.117) 0.569 8.289 ( 0.077 0.118 0.050) 0.149 10.502 ( -5.298 3.586 -0.643) 6.430 10.526 ( -5.379 1.248 -2.097) 5.907 11.331 ( 0.306 -0.125 0.784) 0.851 11.347 ( 0.303 -1.645 0.027) 1.672 11.609 ( 1.421 2.897 2.386) 4.013 11.653 ( 2.413 -0.982 1.713) 3.118 11.746 ( 1.232 2.614 -0.257) 2.901 11.822 ( 2.943 -4.468 -2.468) 5.891 12.050 ( 2.102 1.729 0.326) 2.741 12.067 ( 2.665 -0.011 -0.027) 2.665======================= Grid point 89 (47/72) =======================q-point: ( 0.25 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.892 ( 5.666 6.081 4.370) 9.390 1.012 ( 3.016 -5.041 2.291) 6.305 1.039 ( 4.121 4.228 -0.519) 5.927 1.092 ( 7.563 -1.393 -2.312) 8.030 1.136 ( 3.200 3.004 -0.545) 4.423 1.206 ( 0.061 -2.308 -4.564) 5.115 1.287 ( -4.008 -0.652 0.099) 4.062 1.328 ( -1.332 -2.585 2.728) 3.987 1.426 ( 7.837 11.687 -0.305) 14.075 1.533 ( 6.108 1.606 -4.084) 7.521 1.617 ( 5.804 -1.521 2.558) 6.523 1.669 ( 6.700 -6.636 3.372) 10.015 1.939 ( -3.820 6.827 -5.114) 9.347 1.989 ( -4.020 0.680 -2.638) 4.856 2.038 ( 1.079 1.422 -2.888) 3.395 2.097 ( 2.786 -2.809 1.146) 4.119 2.354 ( -3.714 1.651 0.704) 4.125 2.399 ( 3.903 -0.085 1.851) 4.321 2.407 ( 1.021 3.196 3.639) 4.950 2.523 ( 2.163 -3.778 0.908) 4.447 2.638 ( 0.464 -1.819 -0.834) 2.055 2.650 ( 1.668 -2.119 -1.692) 3.184 2.794 ( -0.029 1.275 -0.188) 1.289 2.827 ( -1.932 -0.834 -0.313) 2.127 2.861 ( 1.258 0.511 0.656) 1.508 2.866 ( 0.166 1.037 1.203) 1.596 3.059 ( 0.219 1.563 -0.575) 1.679 3.078 ( -1.293 -0.422 -0.794) 1.575 3.131 ( -2.374 2.512 1.772) 3.884 3.186 ( -1.664 -2.481 1.430) 3.312 3.226 ( 0.409 3.087 0.744) 3.202 3.261 ( 1.066 -0.216 2.010) 2.285 3.285 ( 1.533 0.924 2.324) 2.934 3.321 ( 0.085 -1.626 1.361) 2.122 3.400 ( 0.870 3.651 1.828) 4.175 3.442 ( 0.831 0.266 -1.735) 1.942 3.557 ( 0.952 3.274 -2.770) 4.393 3.598 ( 1.008 0.366 -1.843) 2.132 3.650 ( -0.554 -0.352 -0.667) 0.935 3.678 ( -3.913 -2.768 -3.108) 5.712 3.694 ( -0.789 -0.978 0.531) 1.363 3.706 ( 0.692 -3.124 -1.705) 3.626 3.812 ( -2.722 -0.588 -1.486) 3.157 3.820 ( -1.922 -0.740 -0.419) 2.102 3.981 ( -1.153 0.503 2.650) 2.933 3.995 ( -0.574 -0.348 2.173) 2.274 4.250 ( -0.265 3.085 0.529) 3.142 4.288 ( 0.258 0.491 -0.620) 0.832 4.337 ( 2.768 0.072 0.338) 2.789 4.356 ( 2.978 -1.251 1.748) 3.673 4.431 ( 2.521 1.753 0.081) 3.072 4.464 ( 3.308 -0.912 -2.681) 4.355 4.552 ( -0.455 1.655 0.488) 1.785 4.605 ( 0.042 -3.264 0.289) 3.277 4.737 ( 0.606 0.724 1.349) 1.647 4.779 ( 0.120 -1.563 1.515) 2.180 4.873 ( -2.278 0.616 -0.915) 2.531 4.907 ( -0.299 -0.606 0.292) 0.736 4.976 ( -1.815 -1.441 -1.869) 2.977 5.012 ( -1.660 -3.006 -3.046) 4.590 5.049 ( -3.198 3.372 1.107) 4.777 5.115 ( -2.083 -2.824 -0.394) 3.531 5.177 ( -2.393 3.620 -3.019) 5.287 5.249 ( -1.021 -3.362 -2.906) 4.560 5.294 ( -2.678 -0.222 0.576) 2.748 5.328 ( -2.850 -3.326 2.335) 4.963 5.614 ( -2.549 1.002 2.145) 3.479 5.640 ( -2.875 -1.441 1.714) 3.645 6.109 ( -0.702 1.081 -0.430) 1.359 6.142 ( -0.212 -2.187 1.016) 2.421 6.493 ( -0.153 0.417 -0.680) 0.812 6.505 ( -0.025 -0.791 0.218) 0.821 8.283 ( -0.039 0.584 -0.039) 0.586 8.289 ( -0.011 0.065 -0.112) 0.130 10.392 ( -6.708 3.432 0.039) 7.535 10.409 ( -6.706 1.718 -0.350) 6.931 11.334 ( 0.601 0.094 -0.828) 1.027 11.356 ( 0.381 -2.255 0.249) 2.300 11.666 ( 2.524 3.886 1.923) 5.017 11.708 ( 2.990 2.235 -0.444) 3.759 11.779 ( 1.852 -0.784 1.609) 2.575 11.852 ( 2.981 -5.667 -2.178) 6.764 12.098 ( 2.893 1.818 0.270) 3.428 12.115 ( 2.866 0.186 -0.334) 2.891======================= Grid point 90 (48/72) =======================q-point: ( 0.38 0.43 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( 3.273 4.470 1.834) 5.836 1.062 ( 1.732 -1.431 0.015) 2.247 1.112 ( 2.589 1.807 0.735) 3.242 1.163 ( 0.841 -2.702 -1.817) 3.363 1.189 ( 2.894 1.175 -1.567) 3.494 1.217 ( 5.804 -0.212 2.308) 6.249 1.261 ( -0.382 3.250 3.271) 4.627 1.343 ( 0.568 -3.455 3.241) 4.771 1.546 ( 6.445 5.823 -3.804) 9.482 1.556 ( 3.265 4.912 -7.945) 9.895 1.730 ( 4.085 1.545 -0.936) 4.466 1.802 ( 4.503 -1.709 0.221) 4.821 1.865 ( -1.541 2.231 1.895) 3.308 1.889 ( -2.927 1.586 1.735) 3.754 2.046 ( 1.593 2.473 -0.073) 2.942 2.144 ( 1.891 -6.300 1.579) 6.764 2.287 ( -4.090 3.480 -0.927) 5.450 2.364 ( -4.414 -3.698 1.153) 5.872 2.522 ( 4.504 2.549 -0.263) 5.182 2.557 ( 1.081 0.703 -2.060) 2.430 2.629 ( -0.490 -0.460 0.672) 0.950 2.678 ( 3.209 -5.195 -1.699) 6.338 2.798 ( -0.578 0.691 -0.052) 0.902 2.807 ( 0.858 -0.082 -0.365) 0.936 2.866 ( -0.935 1.613 0.919) 2.079 2.873 ( -0.782 0.631 0.106) 1.010 3.051 ( -0.706 0.894 -0.571) 1.274 3.070 ( 0.297 -0.731 0.923) 1.214 3.120 ( -0.491 2.769 1.734) 3.304 3.173 ( -0.651 -1.722 1.095) 2.142 3.259 ( 0.197 2.678 0.343) 2.707 3.296 ( 2.399 0.591 2.234) 3.331 3.309 ( -0.395 0.373 -1.278) 1.389 3.337 ( 1.215 -0.026 -1.021) 1.587 3.406 ( -1.094 3.485 -4.405) 5.723 3.466 ( 1.260 0.977 2.731) 3.162 3.511 ( -2.454 -0.147 0.498) 2.508 3.571 ( -2.548 -2.507 -4.888) 6.056 3.624 ( 1.323 -1.551 -1.153) 2.342 3.633 ( -1.246 -3.735 -0.603) 3.984 3.676 ( -1.249 0.894 -0.770) 1.719 3.696 ( 0.875 -1.601 1.633) 2.449 3.785 ( -1.267 0.248 1.420) 1.919 3.791 ( -1.070 0.357 3.185) 3.379 3.976 ( -1.322 0.403 0.643) 1.525 4.002 ( -0.575 -1.334 0.265) 1.476 4.244 ( -0.967 2.759 0.328) 2.942 4.285 ( -0.312 -0.330 -0.146) 0.477 4.381 ( 2.688 1.829 -1.337) 3.515 4.407 ( 2.108 -0.487 -0.507) 2.222 4.480 ( 2.478 -0.038 -0.872) 2.627 4.483 ( 1.250 -0.692 0.637) 1.564 4.562 ( 1.266 1.174 0.260) 1.746 4.617 ( 0.529 -4.003 0.023) 4.038 4.757 ( 0.049 1.581 1.759) 2.366 4.801 ( -0.566 2.073 3.905) 4.457 4.840 ( -0.878 0.288 0.220) 0.950 4.892 ( -1.789 1.307 -1.341) 2.590 4.932 ( 0.281 -4.779 -0.639) 4.829 4.945 ( -1.946 -2.669 -2.472) 4.126 5.026 ( -1.752 2.932 2.208) 4.067 5.084 ( -1.746 -1.229 1.657) 2.703 5.127 ( -0.135 3.111 -3.375) 4.592 5.212 ( -0.267 -3.414 -2.684) 4.351 5.256 ( -1.303 -2.569 -0.737) 2.973 5.280 ( -3.410 -4.277 0.218) 5.474 5.595 ( -2.301 0.380 0.611) 2.411 5.608 ( -2.404 -0.683 0.606) 2.572 6.097 ( -0.508 1.612 0.492) 1.760 6.139 ( -0.882 -2.578 0.677) 2.808 6.492 ( 0.331 0.643 -0.068) 0.726 6.507 ( 0.067 -0.868 0.099) 0.876 8.283 ( 0.066 0.512 -0.015) 0.516 8.288 ( 0.008 0.096 -0.101) 0.140 10.298 ( -4.243 3.076 0.363) 5.253 10.309 ( -4.594 2.024 0.118) 5.021 11.341 ( 0.907 -0.197 -0.467) 1.039 11.363 ( 0.208 -2.382 -0.037) 2.392 11.717 ( 1.537 4.759 1.123) 5.126 11.746 ( 2.174 5.200 -0.724) 5.683 11.821 ( 0.742 -3.787 1.728) 4.228 11.877 ( 2.240 -6.125 -1.858) 6.781 12.141 ( 1.800 1.435 0.118) 2.305 12.151 ( 1.700 0.539 -0.377) 1.823======================= Grid point 91 (49/72) =======================q-point: (-0.50 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.034 ( -0.999 3.141 1.568) 3.650 1.056 ( -1.658 1.022 -0.707) 2.072 1.155 ( 2.658 0.478 0.815) 2.820 1.163 ( 0.521 -0.053 -1.086) 1.206 1.200 ( -1.419 4.906 1.107) 5.226 1.289 ( -1.057 -0.268 3.156) 3.339 1.354 ( 3.763 -0.822 6.877) 7.882 1.393 ( -0.792 -1.754 5.791) 6.102 1.487 ( -0.058 7.586 -9.368) 12.055 1.574 ( 2.765 0.025 -6.879) 7.414 1.681 ( -2.929 2.552 -6.150) 7.275 1.757 ( -3.056 -3.822 -5.552) 7.401 1.932 ( 2.500 6.208 10.165) 12.171 2.008 ( 4.330 -0.647 5.865) 7.319 2.082 ( 1.454 2.557 1.978) 3.545 2.157 ( -5.156 -0.764 0.362) 5.225 2.240 ( 2.257 -1.035 -0.033) 2.483 2.301 ( -2.098 -5.083 -1.056) 5.600 2.517 ( -2.309 3.888 -3.661) 5.818 2.550 ( 1.170 0.306 -3.257) 3.474 2.635 ( 0.563 0.326 0.023) 0.651 2.707 ( 2.019 -5.676 -2.202) 6.414 2.796 ( 0.028 1.815 1.112) 2.129 2.830 ( 0.412 0.203 0.430) 0.629 2.847 ( -0.214 0.734 -0.783) 1.095 2.857 ( -0.419 -0.026 0.420) 0.594 3.044 ( -0.312 1.908 1.209) 2.280 3.082 ( -0.372 -1.714 1.884) 2.574 3.131 ( -0.719 3.047 0.864) 3.248 3.168 ( -1.199 -1.286 -0.249) 1.776 3.253 ( -0.987 1.517 -0.927) 2.034 3.267 ( -1.289 -0.061 -2.983) 3.251 3.303 ( -2.149 1.774 -2.051) 3.460 3.326 ( -1.780 -0.481 -2.159) 2.839 3.362 ( 2.438 1.325 0.136) 2.778 3.442 ( -1.405 -4.455 -1.811) 5.010 3.530 ( 3.198 1.433 -1.619) 3.860 3.554 ( 1.658 -0.068 0.137) 1.665 3.588 ( -1.082 -0.386 -1.663) 2.021 3.606 ( 0.861 -2.129 -3.218) 3.954 3.711 ( 2.304 1.759 3.466) 4.519 3.769 ( 2.281 -3.531 3.452) 5.440 3.796 ( -1.211 1.739 4.492) 4.967 3.818 ( 0.368 0.396 4.309) 4.343 3.952 ( -1.398 0.068 -0.627) 1.533 3.975 ( -1.683 -1.424 -1.558) 2.699 4.230 ( -0.325 2.361 -0.381) 2.414 4.268 ( -0.874 -0.951 -1.450) 1.941 4.388 ( -0.168 2.125 -1.312) 2.503 4.408 ( -0.461 0.586 -1.745) 1.897 4.509 ( 1.451 0.253 0.628) 1.601 4.530 ( 2.412 -1.538 0.535) 2.910 4.579 ( -0.355 0.392 1.298) 1.402 4.606 ( -1.959 -2.197 0.449) 2.977 4.769 ( -1.521 2.130 2.145) 3.384 4.812 ( -1.992 1.135 2.773) 3.598 4.847 ( 0.545 0.034 1.342) 1.449 4.872 ( 0.272 -2.243 -0.948) 2.450 4.916 ( 1.598 -0.320 -1.054) 1.941 4.963 ( 2.820 -2.616 0.314) 3.859 5.039 ( 0.794 3.354 1.958) 3.964 5.087 ( -0.606 -0.928 3.683) 3.846 5.110 ( 0.729 2.074 -1.432) 2.624 5.194 ( 1.213 -3.929 -2.800) 4.975 5.220 ( -1.240 -2.435 -1.386) 3.064 5.254 ( 0.559 -4.222 -1.364) 4.472 5.552 ( -1.175 -0.149 -1.573) 1.969 5.569 ( -1.251 -1.564 -1.739) 2.652 6.105 ( 0.267 0.873 1.490) 1.747 6.131 ( -0.643 -1.709 0.346) 1.859 6.500 ( 0.337 0.395 0.379) 0.643 6.508 ( -0.055 -0.435 -0.008) 0.439 8.285 ( 0.020 0.448 0.063) 0.453 8.288 ( 0.069 0.164 -0.058) 0.187 10.264 ( -0.093 2.858 0.403) 2.888 10.271 ( 0.261 2.204 0.161) 2.225 11.352 ( 0.455 -0.966 0.043) 1.069 11.361 ( -0.302 -1.816 -0.312) 1.867 11.731 ( -1.159 4.713 0.838) 4.925 11.767 ( 1.283 6.283 -0.676) 6.448 11.827 ( -1.739 -4.622 1.217) 5.086 11.892 ( 1.266 -6.011 -1.421) 6.305 12.156 ( -0.199 1.289 0.009) 1.304 12.164 ( 0.247 0.579 -0.319) 0.706======================= Grid point 92 (50/72) =======================q-point: (-0.38 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( -5.212 2.704 1.821) 6.147 1.021 ( -3.788 -0.301 1.763) 4.189 1.135 ( -2.229 2.718 -1.897) 3.994 1.150 ( -3.812 1.930 -1.111) 4.414 1.220 ( 0.105 4.088 3.545) 5.411 1.271 ( -2.518 1.571 1.217) 3.208 1.350 ( -3.583 4.842 -2.346) 6.465 1.410 ( -1.990 -1.182 2.563) 3.453 1.496 ( 0.336 -2.847 3.443) 4.480 1.513 ( -1.673 -4.030 -6.752) 8.039 1.561 ( -5.221 4.893 -1.754) 7.367 1.668 ( -1.803 -3.628 -3.801) 5.556 2.038 ( -4.778 4.987 -3.231) 7.625 2.049 ( 0.293 4.199 5.435) 6.874 2.078 ( -0.179 0.515 0.357) 0.652 2.127 ( 0.073 -0.484 2.819) 2.861 2.252 ( 1.979 -0.004 -1.811) 2.682 2.337 ( 3.394 -6.405 1.993) 7.518 2.431 ( -2.988 4.681 -0.887) 5.624 2.513 ( -1.428 -1.269 -2.947) 3.512 2.651 ( 1.174 0.788 -0.289) 1.443 2.703 ( -0.299 -3.732 -1.329) 3.973 2.808 ( -0.002 1.768 1.291) 2.189 2.824 ( 0.130 1.185 -0.154) 1.203 2.852 ( 0.125 0.247 0.359) 0.453 2.883 ( 2.129 -3.253 -0.572) 3.930 3.067 ( 0.443 2.647 2.320) 3.548 3.095 ( -0.718 0.285 -0.045) 0.774 3.112 ( 0.125 -0.918 3.157) 3.290 3.122 ( -2.312 -1.626 -1.539) 3.218 3.216 ( -0.533 2.094 -1.870) 2.858 3.241 ( -0.353 2.520 -0.375) 2.572 3.258 ( -1.583 1.364 0.939) 2.291 3.334 ( 0.114 -3.461 3.614) 5.005 3.383 ( 0.856 2.269 -0.611) 2.501 3.427 ( 1.312 -0.625 -2.814) 3.167 3.538 ( 1.230 1.215 -2.553) 3.084 3.570 ( 1.639 -0.533 -2.818) 3.303 3.609 ( 2.212 -0.940 -1.584) 2.878 3.633 ( 5.556 -3.514 -0.115) 6.575 3.766 ( 0.315 1.007 1.619) 1.933 3.781 ( -1.801 0.222 0.543) 1.894 3.828 ( 0.972 1.695 1.395) 2.401 3.871 ( -0.569 -1.223 2.263) 2.634 3.929 ( -0.495 0.398 0.916) 1.115 3.947 ( 0.168 -1.167 0.826) 1.440 4.232 ( -0.551 0.701 -1.414) 1.672 4.239 ( 0.677 0.181 0.292) 0.759 4.361 ( -2.910 1.096 -0.993) 3.264 4.366 ( -2.275 0.785 -0.245) 2.419 4.510 ( -1.513 1.967 -0.105) 2.484 4.556 ( -0.007 -2.018 0.245) 2.033 4.571 ( -1.881 -0.130 -0.398) 1.927 4.582 ( -0.243 -0.825 0.320) 0.917 4.743 ( -2.936 2.378 1.851) 4.207 4.814 ( -0.723 -2.483 2.737) 3.766 4.861 ( 0.011 -1.871 -0.728) 2.008 4.870 ( 0.536 -1.611 0.558) 1.787 4.956 ( 2.570 3.205 0.367) 4.125 5.017 ( 3.053 -0.964 -0.509) 3.242 5.068 ( 2.350 3.263 -2.767) 4.882 5.103 ( 0.817 -0.937 -1.823) 2.206 5.144 ( 1.270 -1.241 3.986) 4.364 5.177 ( -0.699 -2.748 -2.791) 3.979 5.221 ( 2.524 -1.116 -0.280) 2.774 5.254 ( 1.652 -4.059 -2.116) 4.866 5.559 ( 3.190 -0.333 0.626) 3.268 5.578 ( 3.858 -2.120 0.740) 4.465 6.119 ( -0.544 0.075 0.123) 0.563 6.130 ( 0.450 -0.937 1.033) 1.465 6.503 ( -0.377 0.308 -0.245) 0.545 6.508 ( 0.262 -0.219 0.283) 0.444 8.284 ( -0.125 0.502 -0.012) 0.518 8.288 ( 0.021 0.130 -0.104) 0.167 10.306 ( 4.554 3.280 0.367) 5.624 10.320 ( 5.163 1.850 0.120) 5.486 11.343 ( -1.139 -0.500 -0.621) 1.390 11.357 ( -0.128 -1.929 0.104) 1.936 11.697 ( -3.285 4.287 0.513) 5.425 11.776 ( 0.069 5.728 -0.080) 5.729 11.787 ( -4.039 -4.430 0.971) 6.073 11.891 ( -0.055 -5.521 -1.131) 5.636 12.136 ( -2.010 1.673 0.037) 2.615 12.151 ( -1.453 0.177 -0.295) 1.493======================= Grid point 93 (51/72) =======================q-point: (-0.25 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -9.661 3.241 4.264) 11.046 0.962 ( -4.656 -3.183 1.756) 5.907 1.043 ( -5.644 3.590 -1.655) 6.891 1.074 ( -3.418 0.006 -0.833) 3.518 1.199 ( -4.428 4.781 1.130) 6.613 1.231 ( -1.799 2.555 -0.154) 3.129 1.331 ( -2.558 0.467 -6.644) 7.135 1.350 ( 2.641 -0.365 0.066) 2.667 1.426 ( -2.703 2.061 -4.858) 5.929 1.488 ( -3.628 4.058 6.276) 8.307 1.494 ( -4.669 -4.820 1.283) 6.832 1.619 ( -4.611 -7.539 1.840) 9.026 1.945 ( -3.202 11.577 -4.131) 12.702 1.966 ( -3.468 5.515 -3.245) 7.278 2.077 ( -1.762 -3.427 -2.532) 4.610 2.138 ( -0.510 -5.794 1.630) 6.040 2.310 ( 4.141 3.845 0.736) 5.699 2.392 ( 0.787 -3.707 2.412) 4.492 2.447 ( 2.253 1.237 1.943) 3.222 2.496 ( 1.175 -2.398 1.347) 2.991 2.650 ( -0.587 0.710 -1.090) 1.427 2.678 ( -1.251 -1.889 -1.481) 2.707 2.806 ( -1.653 1.160 0.520) 2.085 2.821 ( -0.786 -0.317 0.338) 0.912 2.856 ( -0.153 1.592 1.009) 1.891 2.899 ( 0.316 -2.770 -0.240) 2.798 3.076 ( 0.961 -0.054 -1.786) 2.028 3.081 ( 1.658 -0.118 -1.484) 2.228 3.136 ( 1.373 2.185 3.938) 4.708 3.173 ( 1.602 -0.912 2.134) 2.820 3.217 ( 1.300 1.879 0.360) 2.313 3.243 ( 0.973 0.543 0.394) 1.182 3.258 ( -0.692 5.114 2.676) 5.813 3.354 ( -1.428 -2.667 1.432) 3.347 3.406 ( 0.192 1.517 0.058) 1.531 3.420 ( 2.066 -0.603 -0.232) 2.165 3.532 ( 0.510 0.524 -1.062) 1.290 3.564 ( 0.607 -2.178 -3.259) 3.967 3.648 ( 2.758 2.479 0.319) 3.722 3.699 ( -1.203 -0.146 -0.839) 1.474 3.725 ( 0.950 -0.944 -2.050) 2.449 3.771 ( -1.336 -2.615 -0.524) 2.983 3.834 ( 1.007 1.360 -2.837) 3.304 3.866 ( 0.981 -1.819 -0.974) 2.285 3.956 ( 0.882 1.210 2.116) 2.592 3.982 ( 1.411 -0.976 2.526) 3.054 4.211 ( -1.285 2.816 0.904) 3.224 4.265 ( -0.196 -2.111 2.022) 2.930 4.279 ( -4.973 2.375 -0.731) 5.559 4.320 ( -3.534 -1.204 -0.155) 3.737 4.470 ( -2.272 2.560 -0.701) 3.494 4.520 ( -0.890 -1.754 -2.981) 3.571 4.568 ( 0.453 0.220 0.683) 0.849 4.587 ( -0.067 -0.708 1.775) 1.912 4.729 ( -0.590 3.140 1.829) 3.681 4.822 ( -0.783 -4.112 1.858) 4.580 4.866 ( -0.228 0.435 -0.931) 1.053 4.884 ( 2.126 -1.525 0.297) 2.633 4.993 ( 1.154 2.787 -0.353) 3.037 5.026 ( -0.307 1.664 -2.566) 3.074 5.055 ( 2.017 -0.544 -5.984) 6.339 5.102 ( -0.035 -4.714 0.935) 4.806 5.165 ( 1.801 -0.274 -1.216) 2.191 5.183 ( 1.445 -1.884 -0.023) 2.375 5.260 ( 1.981 -0.709 0.104) 2.107 5.293 ( 2.610 -3.776 1.899) 4.968 5.665 ( 6.553 0.664 1.505) 6.756 5.683 ( 6.006 -1.006 1.656) 6.311 6.102 ( -1.056 1.614 -0.360) 1.962 6.145 ( 0.001 -2.523 0.894) 2.677 6.492 ( -0.337 1.282 -0.435) 1.395 6.516 ( 0.555 -1.055 -0.007) 1.192 8.281 ( -0.104 0.530 -0.031) 0.541 8.286 ( -0.075 0.087 -0.120) 0.166 10.413 ( 7.323 3.515 0.016) 8.123 10.435 ( 8.265 1.459 -0.342) 8.399 11.312 ( -1.680 1.278 -0.628) 2.203 11.351 ( -0.537 -2.764 0.068) 2.816 11.642 ( -3.733 3.465 0.921) 5.176 11.717 ( -5.454 -3.978 1.730) 6.969 11.768 ( -0.669 4.904 -0.377) 4.963 11.869 ( -1.081 -4.967 -1.369) 5.264 12.094 ( -2.957 1.802 0.294) 3.476 12.110 ( -2.898 0.134 -0.355) 2.923======================= Grid point 94 (52/72) =======================q-point: (-0.12 0.43 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.771 ( -9.687 6.299 5.958) 13.000 0.896 ( -4.188 -4.771 0.804) 6.399 0.974 ( -1.073 2.032 -0.516) 2.356 1.015 ( -2.680 -2.048 -0.409) 3.398 1.136 ( -3.164 6.004 0.475) 6.803 1.228 ( 1.101 -3.796 -0.831) 4.039 1.247 ( -2.428 7.473 -0.215) 7.861 1.352 ( 0.389 1.731 -5.093) 5.393 1.388 ( 0.084 -1.919 1.541) 2.463 1.415 ( -3.894 -2.395 0.228) 4.578 1.491 ( -2.707 0.113 3.197) 4.191 1.543 ( -4.678 -5.242 1.488) 7.182 1.859 ( -1.723 15.289 -0.412) 15.391 1.959 ( 0.385 2.516 1.309) 2.862 2.033 ( -0.175 -4.462 -0.385) 4.482 2.122 ( -0.932 -8.646 -2.358) 9.010 2.370 ( 2.082 2.105 -0.215) 2.969 2.419 ( 1.077 -2.631 0.441) 2.877 2.485 ( 1.529 3.678 -1.051) 4.119 2.532 ( 0.044 -1.365 -0.226) 1.384 2.624 ( -0.900 -0.316 -2.020) 2.234 2.646 ( 0.267 -2.304 -1.324) 2.671 2.778 ( -2.567 0.784 1.831) 3.249 2.809 ( -1.987 -1.251 3.364) 4.102 2.867 ( 0.368 2.062 0.726) 2.217 2.896 ( 0.035 -0.928 -0.716) 1.173 3.084 ( 2.160 1.802 -1.817) 3.348 3.116 ( 2.815 -1.027 -1.499) 3.351 3.182 ( -1.129 3.635 1.041) 3.946 3.196 ( 1.077 1.457 0.419) 1.860 3.228 ( 1.460 1.606 -0.276) 2.188 3.259 ( -0.331 2.654 1.918) 3.291 3.296 ( 0.357 -0.682 0.890) 1.177 3.324 ( -1.527 -1.425 -0.789) 2.233 3.387 ( 0.085 2.491 -0.928) 2.660 3.456 ( 0.516 -1.786 -0.446) 1.912 3.523 ( -1.241 0.528 -1.499) 2.016 3.561 ( -0.251 -3.753 -0.578) 3.805 3.652 ( -0.278 1.995 2.720) 3.384 3.677 ( -0.383 0.914 0.047) 0.992 3.716 ( 0.858 1.768 -0.785) 2.116 3.793 ( 1.965 -3.721 0.054) 4.208 3.819 ( 1.194 1.279 -4.359) 4.697 3.848 ( 0.690 -2.357 -4.199) 4.865 4.003 ( 1.542 1.500 2.015) 2.947 4.027 ( 1.073 -0.406 1.877) 2.200 4.190 ( -4.091 1.327 1.819) 4.670 4.212 ( -1.220 1.274 3.676) 4.077 4.242 ( -4.073 -0.282 -0.696) 4.141 4.277 ( -1.219 -2.016 1.882) 3.016 4.432 ( -0.789 3.142 -1.854) 3.732 4.495 ( 0.551 -2.494 -2.700) 3.717 4.579 ( -0.281 1.972 1.127) 2.289 4.609 ( 0.162 -1.405 1.930) 2.393 4.740 ( -0.141 3.320 -0.494) 3.359 4.828 ( -0.359 -1.338 1.496) 2.039 4.850 ( 1.265 0.432 -2.473) 2.812 4.929 ( 2.074 -3.728 0.536) 4.299 4.978 ( 0.305 1.876 -1.613) 2.493 5.027 ( 0.520 -1.502 0.261) 1.611 5.038 ( 0.879 0.650 -1.048) 1.515 5.120 ( -0.387 -5.283 2.506) 5.860 5.194 ( 2.249 -0.253 0.144) 2.268 5.207 ( 1.333 -1.217 0.500) 1.873 5.297 ( 1.703 0.783 0.682) 1.995 5.343 ( 0.742 -3.519 1.889) 4.062 5.748 ( 3.071 1.779 -1.690) 3.931 5.780 ( 4.261 -1.128 -1.719) 4.731 6.086 ( -0.856 2.451 0.730) 2.696 6.146 ( -0.599 -3.475 0.507) 3.562 6.488 ( 0.186 2.093 -0.139) 2.106 6.526 ( 0.678 -1.657 -0.414) 1.838 8.281 ( 0.043 0.448 0.128) 0.468 8.284 ( -0.061 0.155 0.035) 0.171 10.523 ( 5.502 4.052 -1.003) 6.906 10.565 ( 7.243 0.082 -1.972) 7.507 11.287 ( -0.934 2.669 0.823) 2.945 11.344 ( -0.359 -3.162 0.267) 3.193 11.598 ( -2.684 2.295 1.624) 3.887 11.647 ( -4.966 -2.539 2.535) 6.127 11.750 ( -0.586 3.941 -0.817) 4.067 11.834 ( -0.942 -4.189 -2.007) 4.739 12.051 ( -2.416 1.416 0.516) 2.847 12.059 ( -2.418 0.509 -0.217) 2.480======================= Grid point 119 (53/72) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( -10.240 0.000 -14.184) 17.494 0.625 ( 10.240 0.000 14.184) 17.494 0.705 ( 2.718 0.000 -15.350) 15.589 0.705 ( -2.718 0.000 15.350) 15.589 1.164 ( -0.845 0.000 -2.064) 2.230 1.164 ( 0.845 0.000 2.064) 2.230 1.198 ( -4.077 0.000 -18.876) 19.311 1.198 ( 4.077 0.000 18.876) 19.311 1.419 ( 3.675 0.000 -3.799) 5.286 1.419 ( -3.675 0.000 3.799) 5.286 1.603 ( -1.109 0.000 -5.403) 5.516 1.603 ( 1.109 0.000 5.403) 5.516 1.759 ( -0.239 0.000 -10.402) 10.405 1.759 ( 0.239 0.000 10.402) 10.405 2.180 ( 1.936 0.000 -2.000) 2.784 2.180 ( -1.936 0.000 2.000) 2.784 2.355 ( -1.161 0.000 -0.578) 1.297 2.355 ( 1.161 0.000 0.578) 1.297 2.555 ( -4.948 0.000 -6.089) 7.846 2.555 ( 4.948 0.000 6.089) 7.846 2.668 ( -2.558 0.000 0.793) 2.678 2.668 ( 2.558 0.000 -0.793) 2.678 2.754 ( -0.036 0.000 -1.878) 1.879 2.754 ( 0.036 0.000 1.878) 1.879 2.819 ( -5.720 0.000 -1.122) 5.829 2.819 ( 5.720 0.000 1.122) 5.829 3.011 ( 3.190 0.000 -1.335) 3.458 3.011 ( -3.190 0.000 1.335) 3.458 3.037 ( -3.379 0.000 -2.972) 4.500 3.037 ( 3.379 0.000 2.972) 4.500 3.218 ( -4.087 0.000 -3.943) 5.679 3.218 ( 4.087 0.000 3.943) 5.679 3.349 ( 1.439 0.000 -1.250) 1.906 3.349 ( -1.439 0.000 1.250) 1.906 3.410 ( 1.225 0.000 -5.199) 5.342 3.410 ( -1.225 0.000 5.199) 5.342 3.448 ( -3.743 0.000 -2.108) 4.295 3.448 ( 3.743 0.000 2.108) 4.295 3.626 ( -3.217 0.000 -0.151) 3.221 3.626 ( 3.217 0.000 0.151) 3.221 3.687 ( 0.805 0.000 -2.891) 3.001 3.687 ( -0.805 0.000 2.891) 3.001 3.872 ( 0.584 0.000 -0.455) 0.740 3.872 ( -0.584 0.000 0.455) 0.740 4.051 ( 3.194 0.000 -1.614) 3.579 4.051 ( -3.194 0.000 1.614) 3.579 4.163 ( -0.516 0.000 -2.679) 2.729 4.163 ( 0.516 0.000 2.679) 2.729 4.293 ( 0.256 0.000 -0.910) 0.945 4.293 ( -0.256 0.000 0.910) 0.945 4.518 ( -1.401 0.000 -7.348) 7.480 4.518 ( 1.401 0.000 7.348) 7.480 4.619 ( 5.051 0.000 -2.424) 5.603 4.619 ( -5.051 0.000 2.424) 5.603 4.759 ( -0.178 0.000 -4.270) 4.274 4.759 ( 0.178 0.000 4.270) 4.274 4.898 ( -2.023 0.000 -6.467) 6.776 4.898 ( 2.023 0.000 6.467) 6.776 5.080 ( 1.203 0.000 -1.119) 1.643 5.080 ( -1.203 0.000 1.119) 1.643 5.144 ( 3.448 0.000 -2.066) 4.020 5.144 ( -3.448 0.000 2.066) 4.020 5.363 ( -6.102 0.000 -1.558) 6.297 5.363 ( 6.102 0.000 1.558) 6.297 5.470 ( 0.661 0.000 -1.763) 1.883 5.470 ( -0.661 0.000 1.763) 1.883 5.710 ( -1.553 0.000 -1.419) 2.104 5.710 ( 1.553 0.000 1.419) 2.104 6.180 ( -0.874 0.000 -5.602) 5.670 6.180 ( 0.874 0.000 5.602) 5.670 6.549 ( -2.569 0.000 -1.680) 3.070 6.549 ( 2.569 0.000 1.680) 3.070 8.253 ( 0.277 0.000 -0.288) 0.399 8.253 ( -0.277 0.000 0.288) 0.399 10.209 ( 1.653 0.000 -7.275) 7.461 10.209 ( -1.653 0.000 7.275) 7.461 11.374 ( -6.058 0.000 -1.656) 6.281 11.374 ( 6.058 0.000 1.656) 6.281 11.660 ( -2.953 0.000 -4.818) 5.650 11.660 ( 2.953 0.000 4.818) 5.650 11.905 ( 0.092 0.000 -3.909) 3.910 11.905 ( -0.092 0.000 3.909) 3.910 11.952 ( -9.390 0.000 0.709) 9.417 11.952 ( 9.390 0.000 -0.709) 9.417======================= Grid point 121 (54/72) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.372 ( -1.402 0.000 -13.357) 13.431 0.574 ( 3.479 0.000 -18.224) 18.553 0.814 ( 0.361 0.000 13.926) 13.930 0.930 ( 10.534 0.000 12.223) 16.136 1.071 ( 10.447 0.000 -16.266) 19.333 1.123 ( -0.340 0.000 -1.321) 1.364 1.218 ( -0.596 0.000 3.126) 3.182 1.331 ( -2.362 0.000 -5.447) 5.937 1.443 ( 3.404 0.000 -3.701) 5.029 1.517 ( 4.017 0.000 14.128) 14.688 1.568 ( 3.157 0.000 -6.453) 7.184 1.671 ( -0.307 0.000 -5.875) 5.883 1.701 ( 2.120 0.000 11.534) 11.727 1.846 ( -0.131 0.000 7.202) 7.203 2.133 ( -5.409 0.000 3.791) 6.605 2.146 ( -3.788 0.000 -1.773) 4.183 2.309 ( -0.726 0.000 -6.831) 6.870 2.401 ( 3.943 0.000 -0.026) 3.943 2.434 ( -3.808 0.000 0.394) 3.828 2.644 ( 0.419 0.000 0.044) 0.421 2.658 ( -0.875 0.000 2.865) 2.996 2.708 ( 0.005 0.000 0.229) 0.229 2.725 ( 2.189 0.000 -0.456) 2.236 2.755 ( -0.080 0.000 -0.876) 0.880 2.764 ( 0.507 0.000 -1.114) 1.224 2.913 ( 1.970 0.000 2.236) 2.979 2.927 ( -3.055 0.000 -4.782) 5.674 2.972 ( -3.773 0.000 2.049) 4.293 3.089 ( 4.656 0.000 -0.374) 4.671 3.102 ( -1.272 0.000 1.099) 1.681 3.156 ( 2.054 0.000 -2.151) 2.974 3.282 ( -0.816 0.000 0.162) 0.832 3.331 ( 0.020 0.000 -4.908) 4.908 3.353 ( 1.503 0.000 0.929) 1.767 3.403 ( 2.818 0.000 -2.819) 3.986 3.431 ( 1.011 0.000 1.945) 2.192 3.475 ( 0.096 0.000 12.000) 12.000 3.542 ( 1.562 0.000 5.734) 5.943 3.600 ( 0.963 0.000 1.998) 2.218 3.634 ( 0.252 0.000 -1.835) 1.853 3.732 ( 4.488 0.000 1.204) 4.647 3.793 ( 1.829 0.000 5.453) 5.752 3.840 ( -3.273 0.000 0.085) 3.275 3.856 ( 1.010 0.000 1.258) 1.613 4.001 ( -3.847 0.000 0.734) 3.916 4.083 ( 3.411 0.000 -3.289) 4.738 4.134 ( -1.567 0.000 0.589) 1.674 4.196 ( 0.003 0.000 -0.559) 0.559 4.255 ( -2.400 0.000 -2.365) 3.369 4.284 ( 1.957 0.000 -2.334) 3.046 4.435 ( -1.107 0.000 -3.990) 4.141 4.576 ( -1.849 0.000 1.334) 2.280 4.604 ( 1.891 0.000 4.618) 4.990 4.682 ( 3.792 0.000 -4.015) 5.522 4.711 ( 1.763 0.000 -3.983) 4.355 4.749 ( -2.945 0.000 -2.493) 3.858 4.835 ( 1.006 0.000 -5.954) 6.039 5.004 ( 1.356 0.000 1.238) 1.836 5.032 ( -5.054 0.000 -0.073) 5.054 5.038 ( -2.580 0.000 5.338) 5.928 5.117 ( -1.687 0.000 1.113) 2.021 5.163 ( -0.881 0.000 0.683) 1.115 5.260 ( -1.999 0.000 -2.326) 3.067 5.453 ( 3.591 0.000 -0.564) 3.635 5.470 ( 0.871 0.000 -1.826) 2.023 5.474 ( -1.660 0.000 1.958) 2.566 5.675 ( -1.095 0.000 1.841) 2.142 5.693 ( -5.650 0.000 1.323) 5.803 6.116 ( -0.797 0.000 -5.062) 5.124 6.250 ( 1.563 0.000 4.444) 4.711 6.475 ( -2.082 0.000 -3.833) 4.362 6.576 ( 0.027 0.000 -0.416) 0.417 8.251 ( -0.210 0.000 0.314) 0.378 8.255 ( 0.265 0.000 -0.293) 0.395 10.130 ( -2.591 0.000 -6.445) 6.946 10.197 ( -5.861 0.000 4.616) 7.460 11.272 ( -0.458 0.000 -5.291) 5.310 11.475 ( 5.204 0.000 -0.427) 5.222 11.574 ( -1.341 0.000 -3.985) 4.204 11.692 ( -3.368 0.000 1.416) 3.654 11.884 ( 1.898 0.000 -3.286) 3.795 11.899 ( 0.338 0.000 5.813) 5.823 11.960 ( 1.706 0.000 2.624) 3.130 12.129 ( 6.464 0.000 3.913) 7.556======================= Grid point 122 (55/72) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.409 ( 12.402 0.000 -1.647) 12.511 0.610 ( 13.655 0.000 -6.673) 15.198 0.967 ( 4.480 0.000 8.306) 9.437 1.095 ( -0.294 0.000 -2.069) 2.090 1.108 ( -2.792 0.000 -1.189) 3.034 1.196 ( 8.141 0.000 10.332) 13.154 1.224 ( -2.355 0.000 -0.686) 2.453 1.276 ( 10.533 0.000 -5.509) 11.887 1.442 ( 2.828 0.000 -6.970) 7.522 1.535 ( 0.928 0.000 -8.851) 8.899 1.595 ( -3.555 0.000 6.674) 7.562 1.641 ( 1.114 0.000 -5.010) 5.133 1.794 ( -3.996 0.000 5.178) 6.540 1.916 ( 3.969 0.000 -1.624) 4.288 2.055 ( -2.538 0.000 -1.368) 2.884 2.095 ( -3.832 0.000 4.089) 5.604 2.277 ( 2.822 0.000 -2.877) 4.030 2.405 ( -3.941 0.000 5.358) 6.651 2.461 ( 2.794 0.000 0.159) 2.798 2.593 ( -1.354 0.000 -4.490) 4.690 2.680 ( -0.034 0.000 2.696) 2.696 2.738 ( -1.321 0.000 -0.119) 1.326 2.738 ( 2.790 0.000 0.085) 2.791 2.776 ( 1.081 0.000 6.739) 6.825 2.799 ( 1.256 0.000 0.994) 1.602 2.866 ( 1.071 0.000 -3.938) 4.081 2.913 ( -3.767 0.000 1.866) 4.204 2.952 ( -0.774 0.000 4.755) 4.817 3.078 ( -1.772 0.000 0.994) 2.032 3.150 ( 2.894 0.000 -0.109) 2.896 3.153 ( 0.139 0.000 -2.380) 2.384 3.255 ( 0.135 0.000 -0.901) 0.911 3.277 ( -1.462 0.000 -4.736) 4.957 3.405 ( 3.880 0.000 -1.052) 4.020 3.444 ( 1.667 0.000 1.496) 2.240 3.474 ( 2.269 0.000 1.541) 2.742 3.553 ( -1.448 0.000 -3.676) 3.951 3.562 ( -1.472 0.000 7.454) 7.598 3.638 ( -0.724 0.000 3.811) 3.880 3.675 ( 2.773 0.000 2.791) 3.934 3.729 ( -1.225 0.000 -6.088) 6.210 3.757 ( -3.690 0.000 -1.479) 3.975 3.862 ( 2.275 0.000 3.663) 4.312 3.942 ( -1.634 0.000 -0.643) 1.756 3.960 ( 0.911 0.000 2.747) 2.894 4.074 ( -4.907 0.000 -3.449) 5.998 4.093 ( 0.650 0.000 -2.089) 2.188 4.134 ( -1.715 0.000 3.528) 3.923 4.276 ( 1.806 0.000 1.719) 2.494 4.342 ( 6.984 0.000 -2.859) 7.546 4.411 ( -0.083 0.000 0.056) 0.100 4.565 ( 0.066 0.000 -1.381) 1.382 4.638 ( -1.479 0.000 -0.675) 1.626 4.657 ( 0.187 0.000 -3.162) 3.167 4.704 ( 2.540 0.000 1.252) 2.832 4.757 ( 5.595 0.000 -5.076) 7.555 4.814 ( 2.034 0.000 -3.810) 4.319 4.956 ( -3.257 0.000 0.221) 3.265 4.974 ( -0.807 0.000 -0.913) 1.219 5.042 ( -5.781 0.000 3.103) 6.561 5.097 ( -1.429 0.000 0.234) 1.448 5.159 ( -2.149 0.000 3.251) 3.897 5.281 ( 4.721 0.000 -0.334) 4.733 5.433 ( -3.682 0.000 1.383) 3.933 5.442 ( -2.390 0.000 -1.518) 2.831 5.495 ( 1.422 0.000 -0.160) 1.431 5.605 ( -4.836 0.000 3.083) 5.735 5.704 ( 0.830 0.000 2.031) 2.194 6.065 ( -0.693 0.000 -2.220) 2.326 6.283 ( -1.668 0.000 1.109) 2.003 6.444 ( 1.668 0.000 -1.476) 2.228 6.553 ( -1.321 0.000 -1.399) 1.924 8.252 ( -0.071 0.000 0.326) 0.333 8.256 ( 0.252 0.000 -0.324) 0.411 10.028 ( -2.988 0.000 -4.027) 5.015 10.129 ( -6.229 0.000 3.159) 6.984 11.282 ( 5.357 0.000 -2.784) 6.037 11.539 ( 1.817 0.000 0.659) 1.933 11.549 ( 0.765 0.000 -0.471) 0.898 11.638 ( -1.910 0.000 -1.186) 2.248 11.907 ( 3.552 0.000 -1.873) 4.016 11.982 ( 2.361 0.000 4.591) 5.162 12.005 ( 1.210 0.000 1.389) 1.842 12.192 ( -0.175 0.000 -0.497) 0.527======================= Grid point 123 (56/72) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.638 ( 10.967 0.000 3.029) 11.378 0.760 ( 3.303 0.000 1.031) 3.460 0.986 ( -0.764 0.000 -4.050) 4.121 1.107 ( 6.104 0.000 -1.436) 6.270 1.140 ( 5.469 0.000 5.061) 7.451 1.272 ( 0.452 0.000 8.813) 8.824 1.320 ( 0.122 0.000 -4.466) 4.468 1.361 ( -8.221 0.000 -2.319) 8.542 1.412 ( 8.635 0.000 3.291) 9.241 1.490 ( 2.155 0.000 -5.929) 6.309 1.550 ( -10.671 0.000 7.353) 12.959 1.669 ( 12.613 0.000 -9.604) 15.854 1.733 ( -3.945 0.000 -0.222) 3.951 1.877 ( 0.558 0.000 -12.559) 12.571 2.034 ( -1.377 0.000 0.714) 1.551 2.055 ( -4.372 0.000 2.270) 4.926 2.332 ( 2.504 0.000 2.872) 3.810 2.430 ( 1.573 0.000 7.266) 7.435 2.491 ( -0.003 0.000 -2.108) 2.108 2.545 ( 1.013 0.000 -2.895) 3.067 2.684 ( -1.205 0.000 0.400) 1.269 2.738 ( 0.120 0.000 3.536) 3.538 2.753 ( -1.608 0.000 -2.776) 3.208 2.820 ( 2.502 0.000 -0.619) 2.577 2.833 ( -0.542 0.000 2.205) 2.271 2.884 ( -2.516 0.000 2.520) 3.561 2.909 ( 2.086 0.000 5.383) 5.773 2.998 ( -0.397 0.000 5.761) 5.774 3.043 ( -1.894 0.000 0.271) 1.913 3.162 ( 2.338 0.000 -0.472) 2.385 3.177 ( 0.483 0.000 -4.058) 4.087 3.216 ( -0.902 0.000 0.143) 0.913 3.278 ( 2.815 0.000 -0.669) 2.893 3.415 ( -1.437 0.000 -3.764) 4.029 3.475 ( 0.173 0.000 1.168) 1.181 3.503 ( -0.091 0.000 -2.977) 2.978 3.519 ( 2.883 0.000 -1.222) 3.132 3.584 ( -0.529 0.000 3.739) 3.777 3.649 ( -0.546 0.000 0.034) 0.547 3.676 ( -3.106 0.000 0.075) 3.107 3.690 ( 2.802 0.000 -5.384) 6.069 3.737 ( 0.346 0.000 2.463) 2.487 3.764 ( -4.215 0.000 -3.007) 5.178 3.932 ( -3.121 0.000 -3.039) 4.356 3.968 ( -1.992 0.000 4.115) 4.572 4.044 ( -1.570 0.000 -5.354) 5.580 4.107 ( 3.495 0.000 5.143) 6.218 4.150 ( 0.407 0.000 2.215) 2.252 4.315 ( 1.322 0.000 0.802) 1.546 4.393 ( 2.618 0.000 -5.337) 5.944 4.439 ( 2.457 0.000 3.125) 3.975 4.568 ( 0.265 0.000 2.496) 2.510 4.615 ( -1.438 0.000 -1.088) 1.804 4.639 ( 0.392 0.000 -2.517) 2.547 4.775 ( 2.490 0.000 2.652) 3.638 4.795 ( 5.735 0.000 -5.930) 8.249 4.828 ( 1.528 0.000 -0.487) 1.604 4.931 ( -4.504 0.000 -0.025) 4.504 4.937 ( 0.707 0.000 0.153) 0.723 4.997 ( -2.054 0.000 4.177) 4.655 5.072 ( -1.169 0.000 -1.058) 1.577 5.107 ( -4.234 0.000 -2.493) 4.914 5.337 ( 2.537 0.000 -2.389) 3.485 5.389 ( -3.564 0.000 2.390) 4.291 5.429 ( 0.724 0.000 3.984) 4.049 5.505 ( -0.004 0.000 -0.349) 0.349 5.593 ( -1.551 0.000 4.458) 4.720 5.698 ( -1.428 0.000 -2.683) 3.039 6.072 ( 1.583 0.000 2.447) 2.914 6.230 ( -3.316 0.000 -2.110) 3.931 6.473 ( 1.371 0.000 0.792) 1.583 6.519 ( -0.907 0.000 -1.435) 1.697 8.254 ( -0.026 0.000 0.306) 0.307 8.257 ( 0.201 0.000 -0.348) 0.402 9.970 ( -0.413 0.000 -1.914) 1.958 10.048 ( -5.927 0.000 1.922) 6.231 11.366 ( 5.922 0.000 -0.646) 5.958 11.527 ( -4.095 0.000 1.688) 4.429 11.580 ( 1.026 0.000 2.763) 2.947 11.624 ( 2.582 0.000 -4.123) 4.865 11.958 ( 3.492 0.000 -0.550) 3.535 12.021 ( -0.333 0.000 0.659) 0.739 12.052 ( 1.291 0.000 3.672) 3.892 12.155 ( -0.867 0.000 -3.957) 4.051======================= Grid point 124 (57/72) =======================q-point: (-0.50 0.00 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.755 ( 3.112 0.000 -1.137) 3.314 0.755 ( -3.112 0.000 1.137) 3.314 1.071 ( -8.257 0.000 -4.616) 9.459 1.071 ( 8.257 0.000 4.616) 9.459 1.260 ( -3.211 0.000 -3.466) 4.725 1.260 ( 3.211 0.000 3.466) 4.725 1.367 ( 5.267 0.000 -6.929) 8.704 1.367 ( -5.267 0.000 6.929) 8.704 1.380 ( 5.877 0.000 -3.509) 6.845 1.380 ( -5.877 0.000 3.509) 6.845 1.634 ( -8.210 0.000 -2.893) 8.705 1.634 ( 8.210 0.000 2.893) 8.705 1.778 ( -3.846 0.000 -1.308) 4.062 1.778 ( 3.846 0.000 1.308) 4.062 2.019 ( -0.025 0.000 -0.605) 0.606 2.019 ( 0.025 0.000 0.605) 0.606 2.418 ( -3.434 0.000 -4.410) 5.589 2.418 ( 3.434 0.000 4.410) 5.589 2.536 ( -0.771 0.000 -4.982) 5.041 2.536 ( 0.771 0.000 4.982) 5.041 2.687 ( -1.063 0.000 -2.796) 2.991 2.687 ( 1.063 0.000 2.796) 2.991 2.794 ( -2.273 0.000 -2.822) 3.624 2.794 ( 2.273 0.000 2.822) 3.624 2.861 ( -2.043 0.000 0.433) 2.089 2.861 ( 2.043 0.000 -0.433) 2.089 2.974 ( -1.711 0.000 -2.009) 2.639 2.974 ( 1.711 0.000 2.009) 2.639 3.107 ( -1.796 0.000 -6.987) 7.214 3.107 ( 1.796 0.000 6.987) 7.214 3.198 ( -1.563 0.000 -0.786) 1.750 3.198 ( 1.563 0.000 0.786) 1.750 3.339 ( -2.906 0.000 -3.038) 4.204 3.339 ( 2.906 0.000 3.038) 4.204 3.470 ( 0.970 0.000 -1.912) 2.144 3.470 ( -0.970 0.000 1.912) 2.144 3.593 ( -5.147 0.000 0.830) 5.214 3.593 ( 5.147 0.000 -0.830) 5.214 3.628 ( 0.119 0.000 -2.642) 2.645 3.628 ( -0.119 0.000 2.642) 2.645 3.706 ( 3.085 0.000 -2.538) 3.995 3.706 ( -3.085 0.000 2.538) 3.995 3.823 ( -4.290 0.000 -4.847) 6.473 3.823 ( 4.290 0.000 4.847) 6.473 3.985 ( 0.529 0.000 -4.690) 4.719 3.985 ( -0.529 0.000 4.690) 4.719 4.166 ( -0.338 0.000 -0.329) 0.472 4.166 ( 0.338 0.000 0.329) 0.472 4.353 ( -0.853 0.000 -4.059) 4.148 4.353 ( 0.853 0.000 4.059) 4.148 4.537 ( -4.474 0.000 -2.760) 5.257 4.537 ( 4.474 0.000 2.760) 5.257 4.612 ( -0.827 0.000 -2.362) 2.503 4.612 ( 0.827 0.000 2.362) 2.503 4.820 ( 0.412 0.000 -2.444) 2.479 4.820 ( -0.412 0.000 2.444) 2.479 4.861 ( 4.626 0.000 -2.168) 5.109 4.861 ( -4.626 0.000 2.168) 5.109 4.982 ( -4.180 0.000 0.266) 4.189 4.982 ( 4.180 0.000 -0.266) 4.189 5.044 ( -0.363 0.000 -0.720) 0.806 5.044 ( 0.363 0.000 0.720) 0.806 5.357 ( 2.845 0.000 -2.317) 3.669 5.357 ( -2.845 0.000 2.317) 3.669 5.485 ( -1.654 0.000 -1.373) 2.149 5.485 ( 1.654 0.000 1.373) 2.149 5.632 ( -0.987 0.000 -4.995) 5.092 5.632 ( 0.987 0.000 4.995) 5.092 6.146 ( -3.195 0.000 -3.492) 4.733 6.146 ( 3.195 0.000 3.492) 4.733 6.497 ( -0.465 0.000 -1.153) 1.243 6.497 ( 0.465 0.000 1.153) 1.243 8.256 ( 0.103 0.000 -0.320) 0.336 8.256 ( -0.103 0.000 0.320) 0.336 9.981 ( 3.314 0.000 -1.127) 3.500 9.981 ( -3.314 0.000 1.127) 3.500 11.456 ( -5.265 0.000 0.528) 5.291 11.456 ( 5.265 0.000 -0.528) 5.291 11.617 ( 0.844 0.000 -4.140) 4.225 11.617 ( -0.844 0.000 4.140) 4.225 12.004 ( -2.064 0.000 0.063) 2.065 12.004 ( 2.064 0.000 -0.063) 2.065 12.103 ( -0.598 0.000 -4.227) 4.269 12.103 ( 0.598 0.000 4.227) 4.269======================= Grid point 129 (58/72) =======================q-point: ( 0.00 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.620 ( -3.391 3.714 -12.740) 13.697 0.620 ( 3.391 3.714 12.740) 13.697 0.788 ( 5.249 4.659 -14.304) 15.933 0.788 ( -5.249 4.659 14.304) 15.933 1.101 ( -4.624 -1.607 -6.538) 8.167 1.101 ( 4.624 -1.607 6.538) 8.167 1.306 ( -3.968 3.169 -6.783) 8.473 1.306 ( 3.968 3.169 6.783) 8.473 1.446 ( 2.460 3.716 -10.752) 11.639 1.446 ( -2.460 3.716 10.752) 11.639 1.597 ( -0.987 0.398 -8.045) 8.115 1.597 ( 0.987 0.398 8.045) 8.115 1.740 ( -1.670 -1.236 -11.731) 11.914 1.740 ( 1.670 -1.236 11.731) 11.914 2.127 ( 0.839 -3.830 -2.496) 4.648 2.127 ( -0.839 -3.830 2.496) 4.648 2.365 ( -2.538 -0.720 -5.145) 5.782 2.365 ( 2.538 -0.720 5.145) 5.782 2.525 ( -4.193 -0.536 -2.781) 5.060 2.525 ( 4.193 -0.536 2.781) 5.060 2.719 ( -1.016 -2.027 -2.165) 3.135 2.719 ( 1.016 -2.027 2.165) 3.135 2.736 ( 0.702 3.009 -1.334) 3.365 2.736 ( -0.702 3.009 1.334) 3.365 2.839 ( -4.178 1.956 -0.266) 4.621 2.839 ( 4.178 1.956 0.266) 4.621 3.022 ( -2.912 -0.066 -1.272) 3.179 3.022 ( 2.912 -0.066 1.272) 3.179 3.076 ( -0.732 4.521 -2.774) 5.354 3.076 ( 0.732 4.521 2.774) 5.354 3.221 ( -3.453 0.294 -4.652) 5.800 3.221 ( 3.453 0.294 4.652) 5.800 3.331 ( 1.160 -1.525 -3.691) 4.158 3.331 ( -1.160 -1.525 3.691) 4.158 3.361 ( -1.169 -1.786 -0.004) 2.135 3.361 ( 1.169 -1.786 0.004) 2.135 3.513 ( -1.898 2.864 -4.543) 5.696 3.513 ( 1.898 2.864 4.543) 5.696 3.640 ( -4.184 1.175 -0.113) 4.347 3.640 ( 4.184 1.175 0.113) 4.347 3.686 ( 0.353 0.696 -2.750) 2.858 3.686 ( -0.353 0.696 2.750) 2.858 3.913 ( -0.932 3.154 -1.872) 3.784 3.913 ( 0.932 3.154 1.872) 3.784 4.015 ( 0.892 -3.594 -2.172) 4.293 4.015 ( -0.892 -3.594 2.172) 4.293 4.169 ( 0.089 0.994 -4.183) 4.300 4.169 ( -0.089 0.994 4.183) 4.300 4.303 ( -2.736 0.746 -0.029) 2.836 4.303 ( 2.736 0.746 0.029) 2.836 4.487 ( -1.238 -3.885 -6.449) 7.630 4.487 ( 1.238 -3.885 6.449) 7.630 4.574 ( 0.683 -1.020 -2.000) 2.347 4.574 ( -0.683 -1.020 2.000) 2.347 4.797 ( -0.629 2.078 -2.391) 3.229 4.797 ( 0.629 2.078 2.391) 3.229 4.888 ( -2.312 -1.040 -5.340) 5.911 4.888 ( 2.312 -1.040 5.340) 5.911 5.096 ( 0.384 0.617 -2.755) 2.850 5.096 ( -0.384 0.617 2.755) 2.850 5.146 ( -3.141 -0.107 -0.253) 3.153 5.146 ( 3.141 -0.107 0.253) 3.153 5.338 ( -3.652 -1.886 -0.876) 4.202 5.338 ( 3.652 -1.886 0.876) 4.202 5.443 ( -0.034 -2.573 -1.670) 3.068 5.443 ( 0.034 -2.573 1.670) 3.068 5.703 ( -2.340 -0.450 -1.463) 2.796 5.703 ( 2.340 -0.450 1.463) 2.796 6.166 ( -1.233 -1.202 -4.905) 5.198 6.166 ( 1.233 -1.202 4.905) 5.198 6.535 ( -1.679 -1.055 -2.545) 3.226 6.535 ( 1.679 -1.055 2.545) 3.226 8.260 ( 0.276 0.656 -0.258) 0.756 8.260 ( -0.276 0.656 0.258) 0.756 10.303 ( 1.645 7.910 -4.774) 9.385 10.303 ( -1.645 7.910 4.774) 9.385 11.375 ( -5.277 -0.129 -2.179) 5.711 11.375 ( 5.277 -0.129 2.179) 5.711 11.628 ( -0.256 -2.437 -3.805) 4.526 11.628 ( 0.256 -2.437 3.805) 4.526 11.853 ( 5.206 -3.421 -2.829) 6.842 11.853 ( -5.206 -3.421 2.829) 6.842 11.977 ( -1.028 1.709 -1.374) 2.422 11.977 ( 1.028 1.709 1.374) 2.422======================= Grid point 131 (59/72) =======================q-point: ( 0.12 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.545 ( 6.375 13.999 -3.771) 15.838 0.744 ( 0.826 12.758 -11.892) 17.461 0.807 ( 3.513 0.158 11.342) 11.874 0.933 ( 6.932 0.570 11.430) 13.380 1.008 ( 7.562 -1.813 -7.800) 11.014 1.140 ( -2.608 -1.047 -0.282) 2.825 1.249 ( 1.083 1.370 -2.561) 3.100 1.331 ( -0.900 1.167 -6.180) 6.353 1.429 ( 4.331 0.248 -5.659) 7.131 1.537 ( 0.394 -0.294 6.539) 6.558 1.563 ( 2.990 -0.558 -4.360) 5.316 1.597 ( -1.787 -5.605 -7.631) 9.635 1.763 ( 5.200 5.659 10.045) 12.648 1.862 ( 0.202 1.408 8.909) 9.022 2.075 ( -4.304 -3.014 0.799) 5.315 2.143 ( -0.872 -2.047 2.991) 3.728 2.265 ( -0.887 -2.656 -5.197) 5.903 2.394 ( -1.290 0.445 -3.355) 3.622 2.488 ( 0.130 2.748 4.238) 5.053 2.622 ( 3.411 -2.050 3.223) 5.121 2.653 ( -1.977 -2.316 -3.745) 4.827 2.723 ( -1.637 2.430 2.022) 3.560 2.757 ( 2.077 1.393 -0.249) 2.513 2.770 ( 0.638 0.746 0.914) 1.342 2.800 ( 0.210 3.875 -0.271) 3.891 2.903 ( 1.285 -1.418 0.097) 1.916 2.925 ( -3.672 2.524 -2.665) 5.192 2.999 ( -1.853 1.783 -1.287) 2.876 3.099 ( -0.628 -0.211 1.250) 1.414 3.140 ( 2.765 4.327 0.177) 5.138 3.159 ( 1.503 0.746 -1.916) 2.546 3.265 ( -0.817 -1.972 -2.552) 3.327 3.313 ( -0.725 0.207 0.665) 1.005 3.344 ( 2.241 -1.844 0.292) 2.916 3.391 ( -0.723 -3.098 5.070) 5.986 3.420 ( 3.049 0.231 3.291) 4.492 3.467 ( 0.728 3.310 -0.779) 3.477 3.560 ( 0.919 -1.895 1.287) 2.468 3.613 ( -0.815 1.399 3.639) 3.983 3.662 ( 0.308 2.452 -0.865) 2.618 3.721 ( 0.047 -1.997 0.922) 2.200 3.738 ( 3.731 0.673 1.258) 3.994 3.893 ( 0.282 2.977 0.510) 3.033 3.912 ( -1.557 0.383 0.640) 1.726 4.009 ( 0.067 1.554 4.502) 4.763 4.052 ( 1.931 -4.149 -1.033) 4.692 4.113 ( -0.756 -0.382 -6.986) 7.037 4.175 ( -2.005 -0.042 0.499) 2.067 4.276 ( -0.516 2.113 1.565) 2.680 4.327 ( 2.209 2.036 -2.888) 4.167 4.422 ( -0.664 -1.362 -2.299) 2.754 4.550 ( 0.923 -3.870 1.376) 4.210 4.575 ( 0.570 -3.075 0.134) 3.130 4.615 ( 2.239 0.504 3.579) 4.252 4.734 ( -1.132 2.047 -4.525) 5.094 4.802 ( 2.312 -0.148 -8.095) 8.420 4.834 ( -1.162 1.540 -0.280) 1.949 4.977 ( 1.544 -2.055 2.646) 3.689 5.034 ( -4.782 -0.185 0.524) 4.814 5.047 ( -3.216 0.940 -1.293) 3.591 5.115 ( -2.481 -1.454 1.461) 3.226 5.195 ( -1.075 2.182 1.943) 3.113 5.244 ( -1.910 -1.468 -1.758) 2.982 5.360 ( -0.794 -4.772 -1.932) 5.209 5.433 ( 0.087 -3.400 0.696) 3.472 5.477 ( 1.112 -1.902 0.609) 2.285 5.666 ( -1.325 -0.559 2.365) 2.768 5.716 ( -3.515 1.229 1.742) 4.111 6.106 ( -0.697 -0.802 -4.327) 4.456 6.236 ( 1.715 -1.385 3.818) 4.409 6.473 ( -1.380 -0.025 -3.600) 3.855 6.564 ( -0.071 -1.089 0.429) 1.172 8.257 ( -0.227 0.558 0.183) 0.630 8.262 ( 0.237 0.681 -0.244) 0.762 10.252 ( -3.716 9.212 -1.771) 10.090 10.267 ( -6.959 6.786 3.493) 10.329 11.281 ( -0.338 0.748 -5.032) 5.098 11.473 ( 5.416 -0.874 -0.981) 5.573 11.577 ( -0.596 0.074 -3.079) 3.137 11.618 ( -4.163 -3.711 2.851) 6.263 11.869 ( 1.944 -1.555 4.899) 5.495 11.951 ( 2.680 2.025 -0.873) 3.471 11.976 ( 3.145 1.671 0.808) 3.652 12.026 ( 5.171 -6.575 -1.134) 8.441======================= Grid point 132 (60/72) =======================q-point: ( 0.25 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.659 ( 3.209 16.390 -7.160) 18.171 0.724 ( 12.050 11.865 1.039) 16.943 0.974 ( 5.871 1.145 6.536) 8.860 1.085 ( 3.528 -1.279 -0.690) 3.815 1.118 ( 1.081 0.413 -1.859) 2.189 1.183 ( -1.113 -2.918 -0.750) 3.212 1.201 ( 7.517 1.129 9.829) 12.425 1.304 ( 3.593 2.572 -3.083) 5.388 1.422 ( -2.878 -3.996 -3.550) 6.071 1.488 ( 4.961 -2.303 -10.998) 12.284 1.560 ( -1.801 -1.766 -0.307) 2.541 1.613 ( 2.840 -0.051 -0.193) 2.847 1.859 ( -1.645 2.476 1.717) 3.433 1.917 ( 2.524 -1.223 1.582) 3.220 2.015 ( -3.370 -0.077 0.309) 3.385 2.155 ( -2.357 2.788 2.503) 4.426 2.282 ( 4.054 1.681 -1.507) 4.640 2.355 ( -0.153 -2.722 1.584) 3.153 2.508 ( -1.725 2.012 1.145) 2.888 2.589 ( -1.460 -1.560 -2.572) 3.344 2.695 ( 0.345 0.359 2.021) 2.081 2.719 ( 1.518 0.362 -0.228) 1.577 2.783 ( -0.351 1.041 2.794) 3.002 2.791 ( 0.731 0.348 1.860) 2.029 2.815 ( 1.403 2.797 -0.808) 3.232 2.866 ( -1.034 0.762 -0.269) 1.312 2.905 ( -0.601 1.328 1.627) 2.185 2.994 ( 0.187 3.237 3.148) 4.519 3.070 ( -2.521 -0.398 0.296) 2.570 3.143 ( 1.224 0.465 -3.511) 3.748 3.195 ( 1.423 2.625 -0.307) 3.001 3.241 ( 0.750 -0.907 -1.390) 1.822 3.283 ( -1.991 1.212 -1.252) 2.646 3.389 ( 2.007 -4.338 -0.289) 4.789 3.400 ( -0.393 -2.778 1.222) 3.060 3.474 ( 1.703 -0.153 1.230) 2.106 3.511 ( 2.100 1.093 1.496) 2.800 3.614 ( 2.468 -2.218 -1.492) 3.638 3.635 ( -1.618 1.310 2.884) 3.557 3.665 ( -0.757 1.497 2.500) 3.011 3.700 ( 0.524 0.666 0.601) 1.039 3.772 ( -1.681 -2.577 -3.045) 4.329 3.851 ( -1.599 0.247 1.155) 1.988 3.933 ( -0.484 -0.171 -0.430) 0.670 3.996 ( -3.984 -3.707 -2.512) 5.994 4.054 ( 0.808 2.168 -3.512) 4.206 4.084 ( 1.064 0.552 3.636) 3.829 4.167 ( -1.418 1.932 3.451) 4.201 4.295 ( 1.796 1.799 0.501) 2.591 4.362 ( 3.759 1.175 -2.753) 4.805 4.416 ( 1.746 0.901 -0.051) 1.966 4.554 ( 0.589 -2.158 -1.338) 2.607 4.594 ( 0.553 -1.255 1.583) 2.094 4.682 ( 0.419 0.378 -2.874) 2.929 4.695 ( 2.300 0.367 1.562) 2.805 4.770 ( 3.768 -0.517 -7.994) 8.853 4.815 ( -0.071 1.382 -0.370) 1.433 4.937 ( -3.096 -1.182 1.252) 3.543 4.987 ( -1.976 0.824 -2.121) 3.014 5.027 ( -3.642 -1.259 2.164) 4.420 5.082 ( -1.644 -2.044 1.096) 2.843 5.146 ( -3.243 -1.299 2.178) 4.116 5.280 ( 3.205 -1.362 -0.369) 3.502 5.315 ( -2.592 -4.267 0.688) 5.039 5.435 ( -1.057 -4.514 0.649) 4.682 5.479 ( -0.665 -1.879 -1.082) 2.268 5.640 ( -4.710 1.860 0.653) 5.106 5.691 ( -0.530 -0.922 3.110) 3.287 6.067 ( -0.231 0.231 -1.539) 1.573 6.266 ( -1.263 -1.691 0.733) 2.234 6.449 ( 1.416 0.529 -1.282) 1.982 6.549 ( -1.197 -0.462 -0.777) 1.500 8.257 ( -0.021 0.461 0.142) 0.483 8.264 ( 0.164 0.651 -0.197) 0.699 10.138 ( -6.228 9.048 -1.524) 11.089 10.187 ( -6.096 5.468 2.403) 8.534 11.288 ( 4.877 0.527 -2.589) 5.546 11.537 ( 3.616 -1.203 -1.724) 4.182 11.562 ( -0.792 -3.340 -0.211) 3.439 11.582 ( -1.450 1.896 1.994) 3.110 11.946 ( 2.394 -0.258 1.796) 3.004 11.982 ( 3.095 2.400 0.017) 3.917 12.016 ( 0.959 0.444 0.193) 1.074 12.103 ( 3.589 -6.502 -1.046) 7.500======================= Grid point 133 (61/72) =======================q-point: ( 0.38 0.14 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.709 ( 7.040 7.721 -2.283) 10.696 0.856 ( -0.119 7.487 1.397) 7.617 1.017 ( 0.560 2.601 -4.347) 5.097 1.119 ( 3.521 -0.355 0.555) 3.582 1.178 ( 6.259 4.210 1.453) 7.682 1.267 ( 2.237 -1.188 2.825) 3.794 1.284 ( -3.146 -4.306 -0.487) 5.355 1.325 ( -1.368 1.052 2.451) 2.998 1.407 ( 7.837 -0.290 3.382) 8.540 1.501 ( 1.067 1.107 -4.592) 4.843 1.541 ( -2.216 -0.126 2.936) 3.681 1.682 ( 7.554 2.593 0.478) 8.001 1.789 ( -4.619 1.755 -3.297) 5.941 1.947 ( 1.608 6.370 -9.988) 11.955 1.981 ( 0.853 -3.375 1.705) 3.876 2.088 ( -5.873 2.498 -1.116) 6.479 2.321 ( 3.404 -0.462 2.172) 4.064 2.422 ( 1.802 -1.025 4.651) 5.092 2.483 ( -1.181 -1.468 -0.464) 1.940 2.548 ( -0.837 -0.396 -2.394) 2.567 2.696 ( -0.245 1.659 -0.372) 1.717 2.744 ( 1.518 0.809 0.898) 1.941 2.774 ( -2.881 0.990 1.002) 3.207 2.822 ( 0.080 -0.926 -0.122) 0.937 2.836 ( 1.466 0.696 0.808) 1.813 2.866 ( -0.717 -2.306 3.082) 3.915 2.935 ( 0.317 4.129 2.687) 4.937 3.018 ( -2.191 0.194 -1.513) 2.670 3.058 ( 1.076 3.526 6.408) 7.393 3.152 ( 2.416 -0.399 -1.635) 2.944 3.181 ( -0.349 0.299 -3.934) 3.961 3.238 ( -0.799 1.438 0.113) 1.649 3.277 ( 1.553 0.387 1.505) 2.197 3.397 ( -0.910 -2.424 -0.336) 2.610 3.403 ( 1.364 -5.247 -1.908) 5.747 3.501 ( -0.909 -0.735 -2.230) 2.517 3.539 ( 2.275 1.586 -1.986) 3.411 3.597 ( -1.406 0.523 1.274) 1.968 3.621 ( 1.529 -2.050 -3.244) 4.131 3.691 ( -0.352 2.017 1.386) 2.472 3.716 ( -0.532 1.698 0.603) 1.879 3.718 ( 0.824 -1.858 1.108) 2.315 3.774 ( -5.450 0.882 0.235) 5.526 3.926 ( -2.504 -1.470 -2.129) 3.601 3.960 ( -0.965 -0.174 2.062) 2.283 4.023 ( -0.161 -1.466 -4.329) 4.574 4.129 ( 1.821 1.235 3.104) 3.804 4.177 ( 0.230 2.456 1.912) 3.121 4.322 ( 1.003 1.046 -0.763) 1.638 4.366 ( 0.070 -0.910 -2.106) 2.295 4.480 ( 4.425 2.564 0.377) 5.128 4.577 ( 1.264 0.010 2.549) 2.845 4.602 ( -1.246 -0.650 0.399) 1.461 4.651 ( 0.535 0.309 -3.394) 3.450 4.762 ( 2.154 -0.542 2.087) 3.048 4.785 ( 4.172 -1.063 -3.770) 5.722 4.827 ( 1.284 0.230 -0.179) 1.317 4.919 ( -1.434 -1.173 0.475) 1.913 4.931 ( -2.657 -0.077 0.379) 2.685 4.986 ( -2.485 -1.386 2.895) 4.060 5.062 ( -0.709 -1.203 -1.553) 2.088 5.103 ( -3.524 -0.021 -1.131) 3.701 5.290 ( 0.021 -4.909 2.351) 5.443 5.341 ( 2.173 -2.254 -0.126) 3.134 5.407 ( -3.565 -3.336 3.002) 5.732 5.448 ( -0.251 -4.823 -3.010) 5.691 5.602 ( -1.108 0.023 1.674) 2.007 5.680 ( -2.285 -1.689 -0.556) 2.895 6.083 ( 1.531 0.771 2.371) 2.925 6.221 ( -2.795 -0.974 -1.979) 3.560 6.475 ( 1.348 0.193 0.645) 1.506 6.520 ( -0.921 0.081 -1.083) 1.424 8.259 ( 0.132 0.466 0.113) 0.497 8.264 ( 0.045 0.612 -0.142) 0.630 10.052 ( -2.114 7.217 -1.301) 7.632 10.105 ( -5.600 5.235 1.633) 7.838 11.367 ( 5.517 -0.225 -0.412) 5.537 11.519 ( -3.712 -2.569 0.695) 4.568 11.577 ( 1.832 -0.052 0.818) 2.007 11.604 ( 1.707 0.924 -0.902) 2.141 11.986 ( 1.502 0.697 0.499) 1.729 12.020 ( 0.660 -1.352 -1.604) 2.199 12.045 ( 2.414 0.761 1.955) 3.198 12.122 ( 0.488 -1.896 -1.714) 2.602======================= Grid point 134 (62/72) =======================q-point: (-0.50 0.14 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.806 ( -1.943 5.018 -1.917) 5.713 0.806 ( 1.943 5.018 1.917) 5.713 1.058 ( -5.931 0.665 -0.864) 6.030 1.058 ( 5.931 0.665 0.864) 6.030 1.245 ( -3.786 -1.975 -1.259) 4.452 1.245 ( 3.786 -1.975 1.259) 4.452 1.376 ( -1.130 1.326 -10.085) 10.235 1.376 ( 1.130 1.326 10.085) 10.235 1.439 ( -1.664 3.827 -3.245) 5.287 1.439 ( 1.664 3.827 3.245) 5.287 1.639 ( -6.649 0.446 -6.895) 9.589 1.639 ( 6.649 0.446 6.895) 9.589 1.843 ( -4.134 6.372 -8.019) 11.045 1.843 ( 4.134 6.372 8.019) 11.045 2.004 ( -1.519 -0.717 -0.975) 1.942 2.004 ( 1.519 -0.717 0.975) 1.942 2.422 ( -2.529 -0.832 -4.682) 5.386 2.422 ( 2.529 -0.832 4.682) 5.386 2.500 ( -1.425 -2.245 -4.926) 5.598 2.500 ( 1.425 -2.245 4.926) 5.598 2.719 ( -2.933 2.245 -0.740) 3.767 2.719 ( 2.933 2.245 0.740) 3.767 2.790 ( -1.441 -0.570 -2.622) 3.046 2.790 ( 1.441 -0.570 2.622) 3.046 2.865 ( 1.263 -0.258 -1.621) 2.071 2.865 ( -1.263 -0.258 1.621) 2.071 2.968 ( -0.864 1.071 -2.855) 3.169 2.968 ( 0.864 1.071 2.855) 3.169 3.130 ( -0.708 1.799 -4.248) 4.668 3.130 ( 0.708 1.799 4.248) 4.668 3.197 ( -2.129 -0.253 -1.198) 2.456 3.197 ( 2.129 -0.253 1.198) 2.456 3.343 ( -2.124 0.063 -4.418) 4.903 3.343 ( 2.124 0.063 4.418) 4.903 3.428 ( -1.634 -3.169 -2.045) 4.111 3.428 ( 1.634 -3.169 2.045) 4.111 3.593 ( -0.616 -0.208 -1.664) 1.787 3.593 ( 0.616 -0.208 1.664) 1.787 3.635 ( -0.366 0.076 -1.407) 1.456 3.635 ( 0.366 0.076 1.407) 1.456 3.725 ( 2.409 1.997 -1.699) 3.561 3.725 ( -2.409 1.997 1.699) 3.561 3.817 ( -4.518 -0.460 -5.553) 7.174 3.817 ( 4.518 -0.460 5.553) 7.174 3.979 ( 0.425 -0.685 -3.980) 4.061 3.979 ( -0.425 -0.685 3.980) 4.061 4.184 ( -0.809 1.415 -1.180) 2.012 4.184 ( 0.809 1.415 1.180) 2.012 4.336 ( -0.703 -0.558 -1.645) 1.874 4.336 ( 0.703 -0.558 1.645) 1.874 4.557 ( -2.081 1.171 -2.076) 3.164 4.557 ( 2.081 1.171 2.076) 3.164 4.623 ( 0.191 0.722 -4.141) 4.208 4.623 ( -0.191 0.722 4.141) 4.208 4.803 ( 0.935 -1.299 -2.770) 3.199 4.803 ( -0.935 -1.299 2.770) 3.199 4.860 ( 0.013 -0.242 -1.296) 1.318 4.860 ( -0.013 -0.242 1.296) 1.318 4.959 ( -0.666 -1.668 -2.127) 2.784 4.959 ( 0.666 -1.668 2.127) 2.784 5.048 ( 0.306 0.372 -1.519) 1.594 5.048 ( -0.306 0.372 1.519) 1.594 5.330 ( 0.068 -2.674 -3.165) 4.144 5.330 ( -0.068 -2.674 3.165) 4.144 5.414 ( 0.397 -5.959 -4.167) 7.282 5.414 ( -0.397 -5.959 4.167) 7.282 5.627 ( -1.490 -1.107 -2.285) 2.944 5.627 ( 1.490 -1.107 2.285) 2.944 6.148 ( -2.651 0.036 -3.199) 4.155 6.148 ( 2.651 0.036 3.199) 4.155 6.498 ( -0.626 0.178 -0.997) 1.190 6.498 ( 0.626 0.178 0.997) 1.190 8.262 ( 0.075 0.547 -0.297) 0.627 8.262 ( -0.075 0.547 0.297) 0.627 10.045 ( 1.944 5.857 -0.830) 6.227 10.045 ( -1.944 5.857 0.830) 6.227 11.452 ( -4.673 -1.109 0.069) 4.804 11.452 ( 4.673 -1.109 -0.069) 4.804 11.606 ( 0.816 0.100 -2.667) 2.790 11.606 ( -0.816 0.100 2.667) 2.790 12.009 ( -0.248 -0.647 -1.360) 1.526 12.009 ( 0.248 -0.647 1.360) 1.526 12.096 ( -1.191 0.193 -2.061) 2.389 12.096 ( 1.191 0.193 2.061) 2.389======================= Grid point 139 (63/72) =======================q-point: ( 0.00 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.740 ( 5.297 5.494 -8.062) 11.101 0.740 ( -5.297 5.494 8.062) 11.101 0.900 ( 2.363 8.203 -9.500) 12.772 0.900 ( -2.363 8.203 9.500) 12.772 1.086 ( -2.403 -1.201 -2.093) 3.406 1.086 ( 2.403 -1.201 2.093) 3.406 1.305 ( -3.961 -0.475 -2.192) 4.552 1.305 ( 3.961 -0.475 2.192) 4.552 1.476 ( 1.308 -1.470 -4.632) 5.032 1.476 ( -1.308 -1.470 4.632) 5.032 1.602 ( -1.704 -3.713 -4.119) 5.802 1.602 ( 1.704 -3.713 4.119) 5.802 1.807 ( -3.033 9.416 -10.557) 14.468 1.807 ( 3.033 9.416 10.557) 14.468 2.068 ( 0.260 -1.576 -2.822) 3.243 2.068 ( -0.260 -1.576 2.822) 3.243 2.327 ( -3.029 -1.965 -6.602) 7.525 2.327 ( 3.029 -1.965 6.602) 7.525 2.532 ( -2.237 0.222 -3.161) 3.879 2.532 ( 2.237 0.222 3.161) 3.879 2.652 ( -1.154 -3.727 -4.000) 5.587 2.652 ( 1.154 -3.727 4.000) 5.587 2.793 ( -0.350 2.450 -2.432) 3.470 2.793 ( 0.350 2.450 2.432) 3.470 2.875 ( -3.191 0.904 0.093) 3.318 2.875 ( 3.191 0.904 -0.093) 3.318 3.037 ( -1.584 1.971 -1.334) 2.859 3.037 ( 1.584 1.971 1.334) 2.859 3.160 ( -2.339 2.672 -3.285) 4.837 3.160 ( 2.339 2.672 3.285) 4.837 3.233 ( -0.632 0.824 -4.216) 4.342 3.233 ( 0.632 0.824 4.216) 4.342 3.316 ( -0.741 -0.244 -2.390) 2.514 3.316 ( 0.741 -0.244 2.390) 2.514 3.344 ( -0.271 0.776 -1.119) 1.389 3.344 ( 0.271 0.776 1.119) 1.389 3.534 ( 1.932 -0.532 -0.897) 2.196 3.534 ( -1.932 -0.532 0.897) 2.196 3.674 ( 2.329 2.240 -1.343) 3.499 3.674 ( -2.329 2.240 1.343) 3.499 3.716 ( -0.173 1.743 -1.196) 2.121 3.716 ( 0.173 1.743 1.196) 2.121 3.913 ( -0.544 -5.305 -2.514) 5.895 3.913 ( 0.544 -5.305 2.514) 5.895 3.982 ( -1.518 2.592 -2.320) 3.796 3.982 ( 1.518 2.592 2.320) 3.796 4.200 ( 0.557 1.911 -3.196) 3.765 4.200 ( -0.557 1.911 3.196) 3.765 4.316 ( -0.436 0.381 -1.495) 1.603 4.316 ( 0.436 0.381 1.495) 1.603 4.410 ( -0.569 -2.799 -6.231) 6.854 4.410 ( 0.569 -2.799 6.231) 6.854 4.581 ( 0.630 1.066 -3.088) 3.327 4.581 ( -0.630 1.066 3.088) 3.327 4.807 ( 1.242 -2.037 -4.811) 5.370 4.807 ( -1.242 -2.037 4.811) 5.370 4.877 ( -0.042 1.096 -2.268) 2.519 4.877 ( 0.042 1.096 2.268) 2.519 5.077 ( 0.754 -2.704 -2.994) 4.104 5.077 ( -0.754 -2.704 2.994) 4.104 5.131 ( -1.628 -0.977 -2.435) 3.087 5.131 ( 1.628 -0.977 2.435) 3.087 5.310 ( -0.856 -0.886 -2.329) 2.635 5.310 ( 0.856 -0.886 2.329) 2.635 5.384 ( -1.241 -2.844 -3.126) 4.405 5.384 ( 1.241 -2.844 3.126) 4.405 5.698 ( -2.141 -0.081 -1.593) 2.670 5.698 ( 2.141 -0.081 1.593) 2.670 6.141 ( -1.384 -1.140 -3.440) 3.880 6.141 ( 1.384 -1.140 3.440) 3.880 6.516 ( -0.721 -0.747 -2.482) 2.690 6.516 ( 0.721 -0.747 2.482) 2.690 8.275 ( 0.188 0.776 -0.159) 0.815 8.275 ( -0.188 0.776 0.159) 0.815 10.460 ( 0.453 6.791 -3.110) 7.483 10.460 ( -0.453 6.791 3.110) 7.483 11.359 ( -2.587 -1.291 -2.595) 3.885 11.359 ( 2.587 -1.291 2.595) 3.885 11.605 ( 0.916 0.494 -2.831) 3.016 11.605 ( -0.916 0.494 2.831) 3.016 11.794 ( 2.999 -2.474 -5.050) 6.374 11.794 ( -2.999 -2.474 5.050) 6.374 12.013 ( 0.928 1.680 -0.859) 2.102 12.013 ( -0.928 1.680 0.859) 2.102======================= Grid point 141 (64/72) =======================q-point: ( 0.12 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.776 ( 2.300 5.497 5.938) 8.412 0.864 ( 12.486 3.612 -3.434) 13.444 0.914 ( 8.239 7.760 -5.804) 12.720 0.981 ( 1.057 4.770 6.009) 7.745 1.043 ( -1.346 1.090 2.433) 2.987 1.133 ( 1.540 2.030 2.911) 3.869 1.218 ( -2.898 -0.519 -3.036) 4.229 1.369 ( 2.295 0.309 -0.935) 2.497 1.450 ( -5.404 -5.867 -4.831) 9.326 1.476 ( 1.028 -0.358 -2.045) 2.317 1.531 ( 3.345 -0.562 -1.598) 3.749 1.599 ( 4.503 5.613 -9.166) 11.653 1.776 ( 1.474 -1.922 -0.585) 2.491 1.982 ( 0.642 7.372 8.246) 11.079 2.022 ( -1.397 -2.230 -1.403) 2.982 2.099 ( 2.043 -1.704 4.122) 4.906 2.263 ( 0.729 3.140 1.386) 3.509 2.400 ( -2.081 -0.445 -0.913) 2.316 2.482 ( -0.052 -2.944 3.207) 4.353 2.586 ( -0.960 -0.935 -0.502) 1.431 2.616 ( 3.038 -1.690 -1.453) 3.767 2.697 ( 0.735 -3.761 0.891) 3.934 2.787 ( 0.602 0.434 1.176) 1.390 2.822 ( 0.483 3.107 0.550) 3.192 2.831 ( -1.343 1.209 0.084) 1.809 2.903 ( -0.551 0.270 -0.310) 0.688 3.006 ( -0.861 3.462 0.111) 3.569 3.054 ( -0.316 4.377 -0.910) 4.481 3.101 ( -1.799 0.818 -0.305) 2.000 3.186 ( -0.060 2.244 -0.908) 2.421 3.223 ( 1.934 2.665 1.285) 3.535 3.234 ( -0.259 -0.967 -2.064) 2.294 3.305 ( -0.336 -0.963 -1.081) 1.486 3.319 ( -0.127 -0.327 1.478) 1.519 3.370 ( -0.475 0.859 2.817) 2.983 3.428 ( 3.090 0.422 6.331) 7.058 3.496 ( -0.861 -0.898 -2.263) 2.583 3.546 ( 1.980 1.337 -1.107) 2.633 3.645 ( -1.434 2.079 -0.088) 2.527 3.695 ( 1.226 0.060 -0.000) 1.227 3.722 ( -0.291 1.774 1.202) 2.162 3.748 ( 0.756 0.304 1.665) 1.854 3.851 ( -1.759 -5.036 -4.446) 6.945 3.923 ( -1.446 -5.108 -0.184) 5.312 3.969 ( 0.987 1.863 0.691) 2.219 4.028 ( 0.228 0.506 2.028) 2.103 4.166 ( 0.676 4.023 -2.844) 4.972 4.201 ( -0.164 2.335 -0.533) 2.400 4.305 ( 0.090 0.307 -0.361) 0.482 4.355 ( 2.576 1.304 -2.283) 3.681 4.375 ( 1.751 -3.040 -0.508) 3.545 4.476 ( 1.042 -2.529 3.686) 4.590 4.560 ( -0.598 0.529 0.348) 0.871 4.625 ( 1.773 0.145 2.532) 3.095 4.757 ( -0.075 -2.190 -5.382) 5.811 4.784 ( -2.049 1.702 -1.395) 3.007 4.876 ( 0.193 1.641 -0.463) 1.716 4.929 ( 1.774 -2.435 2.755) 4.082 5.023 ( -2.874 -1.094 -4.098) 5.124 5.065 ( -2.305 -2.422 0.841) 3.447 5.066 ( -3.489 0.268 -0.706) 3.569 5.182 ( 1.369 -3.063 1.688) 3.756 5.223 ( -5.811 -0.443 -1.206) 5.951 5.314 ( -0.488 -0.416 -2.720) 2.795 5.339 ( -0.937 -5.398 -1.322) 5.636 5.426 ( 0.416 -2.837 1.382) 3.183 5.665 ( -2.049 0.566 2.930) 3.620 5.727 ( -2.316 -0.148 3.060) 3.840 6.095 ( -0.431 -0.088 -2.863) 2.896 6.197 ( 1.430 -2.435 2.393) 3.701 6.477 ( -0.654 0.490 -2.374) 2.511 6.539 ( -0.250 -1.316 1.207) 1.803 8.271 ( -0.237 0.769 0.011) 0.805 8.277 ( 0.179 0.720 -0.226) 0.775 10.400 ( -5.254 6.674 0.382) 8.503 10.435 ( -6.212 6.998 2.633) 9.721 11.297 ( -0.122 0.838 -3.753) 3.848 11.415 ( 2.090 -3.983 0.055) 4.498 11.584 ( -0.134 1.824 -0.730) 1.970 11.622 ( 0.029 2.184 1.641) 2.732 11.821 ( 2.870 -3.341 1.685) 4.716 11.862 ( 5.911 -5.116 -1.426) 7.946 12.021 ( 1.228 2.019 0.668) 2.456 12.031 ( 2.455 2.459 -1.331) 3.721======================= Grid point 142 (65/72) =======================q-point: ( 0.25 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.858 ( 3.325 6.285 -0.677) 7.143 1.001 ( 5.881 6.575 -4.452) 9.881 1.015 ( 3.720 1.866 0.455) 4.187 1.077 ( 8.844 0.834 0.178) 8.885 1.116 ( 6.225 1.571 5.137) 8.222 1.156 ( -0.291 1.959 -0.160) 1.987 1.255 ( 5.406 4.785 6.129) 9.470 1.298 ( -4.889 -5.399 -4.755) 8.698 1.364 ( -1.023 2.016 -1.657) 2.803 1.498 ( 1.070 0.268 1.688) 2.017 1.569 ( 4.519 2.616 -5.724) 7.748 1.647 ( 6.720 5.680 -2.765) 9.223 1.799 ( 3.937 -4.969 -1.278) 6.467 1.932 ( -4.050 -0.117 -1.453) 4.305 2.031 ( -1.061 1.589 3.228) 3.751 2.197 ( 1.579 0.546 4.038) 4.370 2.315 ( -3.135 -1.065 -2.890) 4.395 2.356 ( 4.626 5.237 2.266) 7.346 2.495 ( -0.638 -2.965 -0.248) 3.043 2.548 ( -2.710 -1.527 -0.977) 3.261 2.672 ( 2.868 -2.077 0.479) 3.574 2.705 ( 0.847 -3.194 0.177) 3.309 2.809 ( -0.434 0.422 1.683) 1.789 2.818 ( 0.093 1.432 -0.844) 1.664 2.832 ( -0.248 2.161 0.644) 2.268 2.870 ( -1.892 0.596 0.269) 2.002 3.018 ( 0.439 4.139 2.314) 4.762 3.059 ( -1.443 1.646 0.461) 2.237 3.080 ( 1.286 4.845 2.440) 5.575 3.175 ( -0.635 1.867 -1.915) 2.748 3.194 ( 0.453 -0.670 -3.179) 3.280 3.283 ( 2.649 1.418 0.355) 3.026 3.288 ( -1.412 0.135 -0.910) 1.685 3.307 ( 0.132 -1.934 -2.425) 3.104 3.362 ( -2.435 0.308 1.907) 3.108 3.482 ( 0.718 -0.169 -0.512) 0.898 3.515 ( 1.371 -0.154 4.835) 5.028 3.613 ( 1.060 -1.695 1.687) 2.616 3.626 ( 1.921 2.842 -1.228) 3.644 3.691 ( -4.101 -2.516 -3.563) 5.987 3.719 ( -0.217 -0.700 -0.193) 0.758 3.734 ( -0.101 1.251 2.317) 2.635 3.819 ( 0.624 -2.759 -0.017) 2.829 3.866 ( -4.406 -4.067 1.166) 6.109 3.991 ( 0.023 1.840 0.372) 1.877 4.016 ( -0.527 -2.257 -2.263) 3.239 4.176 ( 0.655 5.070 -0.828) 5.179 4.214 ( 0.898 2.908 1.338) 3.324 4.320 ( 2.226 0.301 0.258) 2.261 4.363 ( 2.181 -0.722 -3.826) 4.463 4.433 ( 3.943 0.155 0.915) 4.051 4.512 ( 1.543 -1.581 0.525) 2.271 4.564 ( -0.514 -1.679 1.878) 2.571 4.665 ( 0.857 -2.041 -1.235) 2.534 4.735 ( 1.810 0.319 -0.994) 2.089 4.747 ( 0.167 2.362 -0.898) 2.533 4.864 ( -0.241 2.313 -1.606) 2.826 4.921 ( -3.509 -0.330 0.868) 3.629 4.987 ( -1.030 -2.538 1.236) 3.006 5.002 ( -2.936 -0.551 -1.078) 3.175 5.032 ( -0.876 -1.163 -0.584) 1.569 5.121 ( -5.156 -0.700 1.455) 5.403 5.206 ( -0.760 -4.118 1.759) 4.542 5.289 ( 0.231 -0.932 -1.391) 1.690 5.314 ( -0.601 -6.862 -1.538) 7.058 5.414 ( -2.005 -4.104 -0.878) 4.651 5.653 ( -3.534 0.134 1.291) 3.765 5.685 ( -3.909 0.075 2.281) 4.526 6.076 ( 0.349 0.745 -0.742) 1.108 6.218 ( -0.619 -3.033 0.291) 3.110 6.464 ( 0.822 0.979 -0.663) 1.440 6.534 ( -0.843 -0.967 0.126) 1.289 8.269 ( 0.003 0.724 -0.001) 0.724 8.278 ( 0.084 0.658 -0.144) 0.679 10.301 ( -7.116 6.588 0.982) 9.747 10.326 ( -7.409 7.079 1.056) 10.301 11.299 ( 3.167 0.557 -1.824) 3.697 11.435 ( 0.682 -5.136 -0.408) 5.197 11.590 ( 1.507 3.256 -0.582) 3.634 11.645 ( 0.559 3.813 1.804) 4.255 11.888 ( 3.459 -4.648 0.260) 5.799 11.927 ( 3.142 -5.767 -1.357) 6.706 12.057 ( 2.666 3.136 -0.665) 4.169 12.078 ( 3.251 1.756 0.591) 3.742======================= Grid point 143 (66/72) =======================q-point: ( 0.38 0.29 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.891 ( 2.838 8.450 -1.493) 9.038 1.003 ( -2.177 5.552 -1.441) 6.135 1.087 ( 5.509 4.542 -3.891) 8.131 1.118 ( 3.355 0.769 -0.709) 3.514 1.188 ( -3.699 -0.216 -0.864) 3.805 1.232 ( 0.751 -1.415 1.686) 2.325 1.308 ( 6.392 4.040 4.663) 8.884 1.369 ( 4.936 1.774 -0.279) 5.252 1.398 ( 6.550 -0.680 3.135) 7.294 1.508 ( -2.025 0.365 1.161) 2.363 1.572 ( 0.573 2.263 -1.304) 2.674 1.788 ( 1.394 2.539 -2.814) 4.039 1.794 ( 4.411 4.365 1.320) 6.344 1.933 ( 3.342 -0.595 3.375) 4.787 2.046 ( 0.719 2.852 0.043) 2.942 2.160 ( -5.399 4.231 -3.770) 7.827 2.306 ( 3.554 -3.826 -0.121) 5.223 2.409 ( 0.501 1.786 1.485) 2.376 2.448 ( -3.265 -0.755 -1.816) 3.811 2.508 ( -0.440 -3.433 -2.221) 4.112 2.707 ( -0.181 -1.182 3.240) 3.453 2.735 ( 3.446 -3.864 -3.831) 6.441 2.798 ( -1.925 1.032 1.421) 2.605 2.808 ( -0.012 1.063 -1.974) 2.242 2.835 ( -1.702 0.739 4.114) 4.513 2.857 ( -0.730 1.073 0.723) 1.486 3.033 ( -0.399 2.532 -0.708) 2.660 3.044 ( -0.931 3.831 2.991) 4.948 3.141 ( 0.495 1.914 1.281) 2.356 3.154 ( 1.834 2.745 -0.440) 3.331 3.177 ( -0.021 -0.669 -2.939) 3.014 3.242 ( -1.114 -1.077 -3.613) 3.932 3.303 ( 1.315 -0.340 -0.507) 1.450 3.319 ( 2.385 -0.047 -0.826) 2.524 3.351 ( -1.425 -0.899 3.094) 3.523 3.483 ( -2.493 -0.574 -2.478) 3.562 3.540 ( 1.946 -2.619 -3.056) 4.471 3.579 ( -0.673 -1.991 -0.488) 2.158 3.600 ( -0.658 0.089 -1.336) 1.492 3.690 ( -1.666 -0.616 5.536) 5.814 3.707 ( -2.186 -1.847 1.621) 3.289 3.761 ( 1.824 3.000 1.355) 3.763 3.793 ( -1.517 1.301 0.562) 2.076 3.871 ( -0.797 -2.798 1.629) 3.335 3.969 ( -1.056 0.508 -0.890) 1.471 3.990 ( -0.047 -1.689 -3.135) 3.561 4.168 ( 0.403 2.994 0.058) 3.021 4.237 ( 0.532 3.323 0.525) 3.406 4.353 ( 0.401 0.229 -2.673) 2.713 4.357 ( 0.853 0.801 -0.129) 1.177 4.509 ( 4.182 -0.266 0.007) 4.190 4.562 ( 2.987 -1.078 1.841) 3.671 4.570 ( -0.793 -2.258 1.693) 2.931 4.646 ( 0.682 -1.012 -3.665) 3.863 4.760 ( 3.046 -0.933 -1.583) 3.557 4.788 ( 0.391 3.344 3.590) 4.922 4.844 ( -0.923 1.152 0.084) 1.479 4.904 ( -1.127 -0.001 0.614) 1.283 4.936 ( -4.150 -0.095 2.989) 5.115 4.953 ( -1.149 -0.875 -1.338) 1.969 5.036 ( 1.050 -1.150 -1.436) 2.118 5.092 ( -1.620 -1.280 1.988) 2.866 5.196 ( -1.544 -3.770 2.756) 4.918 5.287 ( -0.935 -4.408 1.331) 4.698 5.297 ( 1.471 -5.678 -3.254) 6.708 5.349 ( -3.661 -4.899 -2.418) 6.576 5.588 ( -2.477 -0.919 -0.551) 2.699 5.641 ( -3.508 -2.050 0.180) 4.067 6.096 ( 1.306 0.561 1.696) 2.213 6.190 ( -1.789 -2.066 -1.275) 3.015 6.482 ( 1.069 0.555 0.501) 1.304 6.519 ( -0.698 -0.258 -0.422) 0.856 8.271 ( 0.208 0.707 0.048) 0.739 8.278 ( -0.027 0.657 -0.041) 0.659 10.204 ( -3.953 6.977 -0.188) 8.021 10.228 ( -5.239 6.151 0.880) 8.128 11.351 ( 3.467 -1.190 0.026) 3.665 11.432 ( -0.630 -4.633 -0.491) 4.701 11.619 ( 2.015 3.860 0.177) 4.358 11.663 ( -0.106 4.259 0.668) 4.312 11.934 ( 2.688 -4.979 -1.433) 5.837 11.952 ( 0.666 -4.213 0.215) 4.270 12.096 ( 2.517 2.951 -0.494) 3.910 12.124 ( 1.166 1.355 0.538) 1.867======================= Grid point 144 (67/72) =======================q-point: (-0.50 0.29 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.940 ( -1.507 7.491 -1.827) 7.857 0.940 ( 1.507 7.491 1.827) 7.857 1.125 ( 2.188 5.415 -2.592) 6.390 1.125 ( -2.188 5.415 2.592) 6.390 1.199 ( -3.201 -1.984 -0.758) 3.841 1.199 ( 3.201 -1.984 0.758) 3.841 1.419 ( 0.046 2.508 -7.013) 7.448 1.419 ( -0.046 2.508 7.013) 7.448 1.476 ( 6.053 0.046 -5.903) 8.455 1.476 ( -6.053 0.046 5.903) 8.455 1.645 ( -4.206 -0.173 -9.053) 9.984 1.645 ( 4.206 -0.173 9.053) 9.984 1.991 ( -5.174 6.633 -8.155) 11.716 1.991 ( 5.174 6.633 8.155) 11.716 2.022 ( 0.221 3.108 -3.733) 4.863 2.022 ( -0.221 3.108 3.733) 4.863 2.377 ( -0.883 -3.202 -2.957) 4.447 2.377 ( 0.883 -3.202 2.957) 4.447 2.458 ( -0.876 -1.735 -5.501) 5.834 2.458 ( 0.876 -1.735 5.501) 5.834 2.733 ( 1.537 -2.402 -4.896) 5.666 2.733 ( -1.537 -2.402 4.896) 5.666 2.789 ( 0.272 1.415 -0.883) 1.690 2.789 ( -0.272 1.415 0.883) 1.690 2.848 ( 0.040 -0.236 -1.501) 1.520 2.848 ( -0.040 -0.236 1.501) 1.520 3.037 ( 1.799 4.309 -1.849) 5.023 3.037 ( -1.799 4.309 1.849) 5.023 3.154 ( 0.422 0.139 -2.086) 2.133 3.154 ( -0.422 0.139 2.086) 2.133 3.190 ( -1.476 0.126 -1.624) 2.198 3.190 ( 1.476 0.126 1.624) 2.198 3.331 ( 2.269 -0.940 -3.636) 4.388 3.331 ( -2.269 -0.940 3.636) 4.388 3.387 ( -2.325 -0.660 -3.948) 4.629 3.387 ( 2.325 -0.660 3.948) 4.629 3.580 ( 1.646 -1.482 -2.875) 3.629 3.580 ( -1.646 -1.482 2.875) 3.629 3.606 ( -4.547 -2.621 -0.095) 5.249 3.606 ( 4.547 -2.621 0.095) 5.249 3.772 ( -0.885 1.465 -2.616) 3.126 3.772 ( 0.885 1.465 2.616) 3.126 3.819 ( -3.983 1.506 -1.425) 4.490 3.819 ( 3.983 1.506 1.425) 4.490 3.962 ( 0.294 -0.836 -1.701) 1.918 3.962 ( -0.294 -0.836 1.701) 1.918 4.213 ( -1.896 1.483 -2.855) 3.734 4.213 ( 1.896 1.483 2.855) 3.734 4.350 ( -0.403 1.564 -0.811) 1.807 4.350 ( 0.403 1.564 0.811) 1.807 4.561 ( 1.508 -1.120 -2.081) 2.804 4.561 ( -1.508 -1.120 2.081) 2.804 4.620 ( -0.491 -0.957 -3.190) 3.367 4.620 ( 0.491 -0.957 3.190) 3.367 4.793 ( 1.614 0.500 -3.062) 3.497 4.793 ( -1.614 0.500 3.062) 3.497 4.858 ( -0.331 0.647 -3.274) 3.354 4.858 ( 0.331 0.647 3.274) 3.354 4.938 ( 1.113 -0.550 -2.905) 3.159 4.938 ( -1.113 -0.550 2.905) 3.159 5.056 ( 0.496 0.485 -3.318) 3.390 5.056 ( -0.496 0.485 3.318) 3.390 5.249 ( -2.173 -5.293 -5.275) 7.782 5.249 ( 2.173 -5.293 5.275) 7.782 5.294 ( 1.960 -5.224 -3.497) 6.584 5.294 ( -1.960 -5.224 3.497) 6.584 5.586 ( -1.750 -2.657 -0.762) 3.272 5.586 ( 1.750 -2.657 0.762) 3.272 6.142 ( -1.770 -0.639 -2.140) 2.850 6.142 ( 1.770 -0.639 2.140) 2.850 6.503 ( -0.672 0.224 -0.659) 0.968 6.503 ( 0.672 0.224 0.659) 0.968 8.275 ( 0.020 0.693 -0.214) 0.726 8.275 ( -0.020 0.693 0.214) 0.726 10.177 ( 0.542 6.408 -0.491) 6.450 10.177 ( -0.542 6.408 0.491) 6.450 11.403 ( -2.156 -3.138 -0.600) 3.854 11.403 ( 2.156 -3.138 0.600) 3.854 11.652 ( -1.346 4.128 -0.267) 4.350 11.652 ( 1.346 4.128 0.267) 4.350 11.954 ( 1.681 -4.231 -2.570) 5.228 11.954 ( -1.681 -4.231 2.570) 5.228 12.126 ( -0.781 2.075 0.066) 2.218 12.126 ( 0.781 2.075 -0.066) 2.218======================= Grid point 149 (68/72) =======================q-point: ( 0.00 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.826 ( 3.492 3.700 -4.892) 7.059 0.826 ( -3.492 3.700 4.892) 7.059 0.980 ( 0.198 -3.222 -0.555) 3.275 0.980 ( -0.198 -3.222 0.555) 3.275 1.139 ( -1.221 8.108 -1.992) 8.438 1.139 ( 1.221 8.108 1.992) 8.438 1.327 ( -0.484 1.933 -2.090) 2.888 1.327 ( 0.484 1.933 2.090) 2.888 1.419 ( -0.843 -4.454 -3.733) 5.872 1.419 ( 0.843 -4.454 3.733) 5.872 1.493 ( -1.907 -4.484 -3.285) 5.877 1.493 ( 1.907 -4.484 3.285) 5.877 1.956 ( -1.331 3.215 -4.000) 5.302 1.956 ( 1.331 3.215 4.000) 5.302 2.073 ( 0.025 1.585 -0.634) 1.707 2.073 ( -0.025 1.585 0.634) 1.707 2.318 ( -0.697 0.888 -1.827) 2.148 2.318 ( 0.697 0.888 1.827) 2.148 2.524 ( -0.348 -0.391 -2.339) 2.397 2.524 ( 0.348 -0.391 2.339) 2.397 2.585 ( 1.359 -2.787 -4.651) 5.590 2.585 ( -1.359 -2.787 4.651) 5.590 2.838 ( -0.581 1.961 -2.710) 3.395 2.838 ( 0.581 1.961 2.710) 3.395 2.873 ( 1.019 -0.916 -1.573) 2.086 2.873 ( -1.019 -0.916 1.573) 2.086 3.091 ( -1.198 2.676 -0.841) 3.050 3.091 ( 1.198 2.676 0.841) 3.050 3.173 ( -2.037 -0.893 -0.754) 2.349 3.173 ( 2.037 -0.893 0.754) 2.349 3.240 ( -0.871 0.202 -0.927) 1.288 3.240 ( 0.871 0.202 0.927) 1.288 3.303 ( -1.062 -0.729 -1.422) 1.919 3.303 ( 1.062 -0.729 1.422) 1.919 3.403 ( 0.759 3.571 -2.623) 4.495 3.403 ( -0.759 3.571 2.623) 4.495 3.508 ( -0.143 -1.706 -2.100) 2.709 3.508 ( 0.143 -1.706 2.100) 2.709 3.714 ( -0.981 1.289 -1.662) 2.320 3.714 ( 0.981 1.289 1.662) 2.320 3.748 ( 2.308 1.707 -2.222) 3.630 3.748 ( -2.308 1.707 2.222) 3.630 3.809 ( -1.266 -4.311 -1.618) 4.776 3.809 ( 1.266 -4.311 1.618) 4.776 4.022 ( -0.399 1.116 -0.984) 1.540 4.022 ( 0.399 1.116 0.984) 1.540 4.241 ( -0.284 1.925 -0.650) 2.051 4.241 ( 0.284 1.925 0.650) 2.051 4.303 ( 0.075 -1.557 -1.190) 1.961 4.303 ( -0.075 -1.557 1.190) 1.961 4.389 ( -0.167 0.230 -2.920) 2.934 4.389 ( 0.167 0.230 2.920) 2.934 4.610 ( 0.831 1.573 -1.748) 2.494 4.610 ( -0.831 1.573 1.748) 2.494 4.743 ( -0.022 -3.022 -3.116) 4.341 4.743 ( 0.022 -3.022 3.116) 4.341 4.919 ( -0.533 2.346 -1.972) 3.110 4.919 ( 0.533 2.346 1.972) 3.110 5.009 ( 1.150 -3.230 -1.222) 3.640 5.009 ( -1.150 -3.230 1.222) 3.640 5.116 ( -0.036 -0.471 -1.342) 1.423 5.116 ( 0.036 -0.471 1.342) 1.423 5.298 ( -1.047 -0.345 -1.646) 1.981 5.298 ( 1.047 -0.345 1.646) 1.981 5.344 ( -1.093 -1.044 -2.549) 2.963 5.344 ( 1.093 -1.044 2.549) 2.963 5.698 ( -0.805 0.051 -0.782) 1.123 5.698 ( 0.805 0.051 0.782) 1.123 6.125 ( -0.599 -0.436 -1.278) 1.477 6.125 ( 0.599 -0.436 1.278) 1.477 6.507 ( -0.193 -0.246 -0.998) 1.046 6.507 ( 0.193 -0.246 0.998) 1.046 8.287 ( 0.051 0.337 -0.049) 0.345 8.287 ( -0.051 0.337 0.049) 0.345 10.553 ( 0.042 2.392 -1.225) 2.687 10.553 ( -0.042 2.392 1.225) 2.687 11.338 ( -0.529 -0.591 -1.103) 1.358 11.338 ( 0.529 -0.591 1.103) 1.358 11.632 ( 0.441 1.398 -1.755) 2.286 11.632 ( -0.441 1.398 1.755) 2.286 11.753 ( 1.040 -1.476 -2.797) 3.329 11.753 ( -1.040 -1.476 2.797) 3.329 12.038 ( 0.453 0.708 -0.238) 0.874 12.038 ( -0.453 0.708 0.238) 0.874======================= Grid point 151 (69/72) =======================q-point: ( 0.12 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( 2.739 4.345 4.263) 6.675 0.889 ( 8.910 1.490 -5.282) 10.464 0.982 ( 1.326 -2.223 -0.871) 2.731 1.004 ( 2.234 -3.437 0.653) 4.151 1.116 ( 0.137 6.550 1.224) 6.665 1.187 ( 0.797 2.007 0.663) 2.259 1.309 ( 2.141 5.972 -0.158) 6.346 1.327 ( -1.257 -1.549 -5.490) 5.841 1.379 ( -0.676 -0.285 2.049) 2.176 1.446 ( 1.520 -2.325 0.180) 2.784 1.515 ( 5.746 -0.692 -0.620) 5.821 1.570 ( 5.481 -6.610 -1.144) 8.662 1.903 ( 0.222 10.539 -5.183) 11.747 2.001 ( 0.816 -0.102 -1.479) 1.692 2.038 ( -2.832 -0.590 -0.843) 3.013 2.073 ( 1.216 -2.589 1.335) 3.157 2.345 ( 2.581 2.717 2.627) 4.577 2.378 ( 1.589 -1.365 3.203) 3.827 2.463 ( -3.363 2.808 1.658) 4.685 2.544 ( -0.986 -3.472 -1.411) 3.875 2.593 ( 2.583 -0.554 0.630) 2.716 2.617 ( 1.309 -3.105 0.987) 3.512 2.804 ( -0.681 2.136 -1.154) 2.522 2.855 ( -0.526 -1.310 -0.919) 1.684 2.864 ( -0.344 1.632 1.532) 2.265 2.883 ( -0.362 -0.964 1.161) 1.552 3.061 ( -1.415 2.517 0.022) 2.887 3.096 ( -1.612 -0.576 0.165) 1.720 3.165 ( 0.571 4.391 1.502) 4.676 3.210 ( -0.168 -1.014 0.026) 1.028 3.229 ( 0.750 0.680 -0.009) 1.012 3.267 ( -0.434 3.276 1.193) 3.514 3.277 ( 1.021 -2.619 1.418) 3.149 3.319 ( 0.524 -0.779 0.227) 0.966 3.398 ( 0.113 2.228 -1.022) 2.454 3.437 ( 0.310 -0.317 2.249) 2.293 3.501 ( 2.346 1.736 -0.984) 3.080 3.546 ( 2.617 -1.648 -0.494) 3.132 3.668 ( -2.269 0.644 -0.844) 2.505 3.711 ( -2.454 -0.776 -1.105) 2.801 3.727 ( -3.141 -1.075 0.858) 3.429 3.745 ( -2.552 -0.391 2.448) 3.558 3.782 ( 2.311 1.021 -2.210) 3.356 3.831 ( 0.728 -3.431 -0.973) 3.640 4.012 ( -0.752 1.769 0.810) 2.086 4.034 ( -1.067 -0.285 1.413) 1.794 4.231 ( 1.500 2.571 -1.886) 3.524 4.256 ( 1.926 2.229 -1.510) 3.310 4.287 ( 1.335 -1.386 -3.184) 3.720 4.317 ( 2.103 -2.583 -1.385) 3.607 4.393 ( 1.378 2.319 0.894) 2.842 4.435 ( 0.823 -1.779 3.477) 3.992 4.588 ( -1.817 1.837 0.639) 2.662 4.619 ( -0.463 -0.968 0.405) 1.147 4.728 ( 0.784 0.806 -0.178) 1.138 4.787 ( 0.985 -3.108 2.899) 4.363 4.880 ( -0.988 1.715 -2.677) 3.329 4.924 ( -1.254 -0.213 0.825) 1.516 4.996 ( -0.860 -1.962 -1.103) 2.410 4.999 ( -1.017 -1.467 -0.725) 1.927 5.091 ( -0.750 1.403 -2.292) 2.790 5.127 ( -0.046 -2.228 0.996) 2.441 5.217 ( -4.575 0.163 -2.480) 5.206 5.247 ( -3.036 -3.124 -3.389) 5.519 5.325 ( -0.801 1.403 -1.556) 2.243 5.369 ( -0.412 -2.751 -0.017) 2.782 5.687 ( -2.328 1.448 3.680) 4.589 5.714 ( -2.296 -1.090 3.933) 4.683 6.108 ( -0.010 1.358 -1.208) 1.817 6.147 ( 0.675 -2.426 0.606) 2.590 6.492 ( -0.426 0.936 -0.636) 1.210 6.513 ( -0.366 -1.203 0.752) 1.465 8.284 ( -0.136 0.457 -0.118) 0.491 8.287 ( 0.040 0.194 -0.195) 0.278 10.503 ( -5.260 3.261 0.562) 6.214 10.521 ( -5.553 1.624 1.841) 6.072 11.316 ( -0.011 1.202 -1.713) 2.092 11.350 ( 0.379 -2.373 -0.120) 2.406 11.636 ( 2.133 2.905 -1.491) 3.901 11.665 ( 2.285 1.077 1.086) 2.749 11.759 ( 2.334 -1.550 -1.522) 3.188 11.786 ( 1.660 -3.083 1.877) 3.973 12.055 ( 2.152 1.193 0.204) 2.469 12.062 ( 2.566 0.594 -0.518) 2.685======================= Grid point 152 (70/72) =======================q-point: ( 0.25 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.952 ( 4.147 3.650 0.168) 5.527 0.997 ( 5.504 -1.084 -1.750) 5.877 1.040 ( 8.705 -0.005 -2.063) 8.946 1.064 ( 3.795 -1.550 0.805) 4.178 1.164 ( 1.700 0.677 3.501) 3.951 1.186 ( -0.427 -1.737 2.704) 3.242 1.285 ( 0.412 5.515 -0.376) 5.544 1.366 ( 1.468 -0.765 -0.471) 1.721 1.398 ( 4.069 5.721 -1.475) 7.174 1.478 ( 1.918 -1.682 -0.076) 2.553 1.605 ( 6.407 1.464 -4.326) 7.868 1.674 ( 7.906 -5.424 -2.221) 9.842 1.884 ( 1.407 12.496 0.698) 12.594 1.947 ( -2.770 2.643 -1.139) 3.994 2.031 ( 0.940 -1.988 1.708) 2.785 2.124 ( 1.872 -7.557 1.849) 8.002 2.343 ( -3.255 3.479 -1.743) 5.074 2.422 ( 0.555 -3.687 -0.295) 3.740 2.457 ( 0.448 3.634 1.075) 3.816 2.522 ( -0.384 -2.038 -0.859) 2.244 2.632 ( 1.606 -0.883 0.388) 1.873 2.645 ( 0.818 -1.624 1.201) 2.180 2.801 ( 0.229 0.263 0.772) 0.847 2.827 ( -1.610 -1.436 0.019) 2.157 2.873 ( -0.138 1.402 0.449) 1.479 2.883 ( -0.229 0.316 0.245) 0.461 3.052 ( -0.066 1.159 0.362) 1.216 3.069 ( -0.805 -0.349 -0.075) 0.880 3.167 ( -1.885 1.441 1.492) 2.803 3.194 ( -1.158 -1.200 -0.477) 1.734 3.230 ( 1.408 5.254 -1.159) 5.562 3.288 ( -0.703 0.486 -1.769) 1.965 3.310 ( 1.818 1.286 -0.140) 2.232 3.324 ( 0.149 0.862 0.449) 0.983 3.383 ( -0.706 2.102 -0.181) 2.225 3.459 ( 1.163 -2.583 -0.307) 2.849 3.527 ( 0.083 1.053 0.208) 1.077 3.573 ( -0.650 -3.648 -3.073) 4.814 3.619 ( -2.362 0.307 0.723) 2.489 3.666 ( -0.305 -2.986 3.427) 4.556 3.695 ( -1.563 1.254 -0.319) 2.029 3.728 ( -2.034 -1.610 2.736) 3.770 3.798 ( 0.437 1.379 0.693) 1.604 3.832 ( -0.247 -1.103 1.246) 1.682 3.995 ( -1.184 0.683 -1.333) 1.910 4.014 ( -1.301 -0.363 -0.436) 1.419 4.248 ( 0.650 2.425 -1.100) 2.741 4.280 ( 1.424 1.966 -0.264) 2.442 4.304 ( 3.679 -0.389 -2.285) 4.348 4.344 ( 3.649 -1.560 -2.754) 4.831 4.440 ( 2.325 1.163 1.751) 3.135 4.475 ( 1.282 -2.025 2.018) 3.133 4.562 ( -1.610 1.344 0.622) 2.188 4.608 ( -0.487 -3.092 -0.234) 3.139 4.752 ( 1.367 2.982 0.042) 3.281 4.829 ( 1.264 1.924 2.946) 3.738 4.848 ( -0.183 -1.887 -1.373) 2.341 4.909 ( -1.100 -1.795 -0.824) 2.261 4.958 ( -1.454 0.179 -0.394) 1.517 4.970 ( -3.114 -1.395 1.754) 3.836 5.060 ( 0.096 3.115 -2.799) 4.189 5.122 ( -3.854 -0.203 -0.074) 3.860 5.134 ( -1.853 -2.038 2.188) 3.518 5.183 ( -0.708 -5.441 -3.025) 6.266 5.284 ( -2.049 0.868 -1.439) 2.650 5.332 ( -2.786 -3.707 -1.400) 4.844 5.664 ( -4.209 0.884 1.819) 4.669 5.681 ( -4.655 -0.579 1.743) 5.004 6.102 ( 0.246 1.972 -0.261) 2.005 6.154 ( -0.150 -3.101 0.059) 3.105 6.486 ( 0.170 1.224 0.035) 1.236 6.511 ( -0.385 -1.254 0.392) 1.369 8.282 ( 0.018 0.494 -0.078) 0.500 8.286 ( 0.041 0.122 -0.119) 0.175 10.402 ( -6.964 3.254 0.878) 7.737 10.418 ( -7.470 1.857 1.094) 7.775 11.315 ( 1.301 1.257 -0.861) 2.004 11.355 ( 0.489 -2.892 -0.256) 2.944 11.669 ( 3.346 4.409 -1.594) 5.760 11.719 ( 2.236 2.400 1.674) 3.683 11.791 ( 3.413 -3.248 -2.422) 5.298 11.832 ( 1.423 -4.292 1.983) 4.937 12.101 ( 2.796 1.265 -0.093) 3.071 12.107 ( 2.982 0.744 -0.239) 3.083======================= Grid point 153 (71/72) =======================q-point: ( 0.38 0.43 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.013 ( 3.427 3.992 -0.370) 5.274 1.056 ( 2.505 -0.110 -0.557) 2.569 1.118 ( 2.132 1.601 -0.128) 2.669 1.147 ( 3.884 -0.648 -0.984) 4.059 1.208 ( 0.900 2.186 3.807) 4.482 1.268 ( 3.809 -1.658 1.330) 4.362 1.334 ( 4.258 3.915 3.631) 6.830 1.385 ( 3.247 -0.296 -0.666) 3.328 1.449 ( 2.896 4.270 -1.901) 5.498 1.501 ( -0.961 -0.940 2.651) 2.972 1.625 ( 2.741 2.868 -6.259) 7.410 1.711 ( 0.699 -5.514 -7.143) 9.051 1.967 ( 3.839 4.410 4.149) 7.169 1.985 ( 4.256 7.580 7.187) 11.279 2.071 ( 0.956 -0.060 1.964) 2.185 2.177 ( 3.304 -7.498 0.852) 8.238 2.252 ( -4.699 5.299 -2.321) 7.453 2.369 ( -4.619 -5.544 -0.650) 7.245 2.472 ( 2.035 1.855 -3.924) 4.794 2.505 ( 0.045 1.438 -2.469) 2.858 2.648 ( 0.537 -2.391 -0.055) 2.451 2.667 ( -0.578 -2.352 1.721) 2.971 2.809 ( -0.858 0.128 1.083) 1.388 2.816 ( 0.614 -0.337 0.905) 1.144 2.861 ( -0.990 1.442 -1.016) 2.023 2.879 ( -0.904 0.162 0.199) 0.940 3.058 ( 0.481 1.229 1.367) 1.900 3.085 ( 1.542 -1.145 0.901) 2.122 3.158 ( -1.450 2.082 0.454) 2.577 3.166 ( -0.062 0.239 -2.444) 2.456 3.221 ( 0.116 0.569 -4.463) 4.500 3.244 ( 0.386 0.930 -1.312) 1.654 3.305 ( 0.395 2.781 -3.227) 4.279 3.343 ( -0.868 0.381 1.991) 2.205 3.368 ( -1.764 2.013 2.380) 3.582 3.444 ( -0.949 -5.201 -5.419) 7.571 3.499 ( -0.638 1.002 1.061) 1.593 3.533 ( -0.266 -2.286 0.058) 2.302 3.602 ( -2.560 0.222 -0.652) 2.651 3.631 ( -4.411 -2.846 0.144) 5.252 3.722 ( 1.708 2.003 4.900) 5.562 3.770 ( 1.233 -2.583 2.677) 3.919 3.821 ( 1.468 2.374 1.905) 3.379 3.851 ( 0.157 -0.547 2.712) 2.771 3.963 ( -0.813 0.532 -1.633) 1.900 3.982 ( -1.266 -0.581 -1.891) 2.349 4.229 ( -0.424 2.759 -1.540) 3.188 4.272 ( -1.095 -0.977 -1.617) 2.184 4.354 ( 3.062 1.724 -0.665) 3.576 4.378 ( 2.148 0.041 -1.362) 2.544 4.491 ( 1.991 -0.269 1.366) 2.429 4.516 ( 0.196 -2.339 2.530) 3.451 4.568 ( 2.088 1.149 0.297) 2.401 4.607 ( 0.971 -2.461 -1.128) 2.876 4.776 ( 2.179 2.939 -0.516) 3.695 4.844 ( 0.471 -1.090 0.273) 1.218 4.863 ( -1.527 1.556 -2.008) 2.964 4.889 ( 1.370 -1.725 0.992) 2.416 4.929 ( -3.550 0.740 3.468) 5.017 4.949 ( -2.560 -0.442 3.031) 3.992 5.045 ( 1.230 2.814 -1.956) 3.641 5.086 ( -0.673 0.960 1.793) 2.142 5.134 ( -1.105 -2.833 1.685) 3.476 5.162 ( 0.482 -5.253 -0.364) 5.288 5.238 ( -1.725 -1.380 -1.266) 2.546 5.261 ( -3.360 -3.410 -2.069) 5.215 5.582 ( -4.387 0.439 -1.457) 4.644 5.604 ( -4.477 -1.594 -1.212) 4.905 6.111 ( 0.494 1.186 0.751) 1.488 6.145 ( -0.679 -2.151 -0.239) 2.269 6.496 ( 0.515 0.730 0.402) 0.980 6.510 ( -0.145 -0.637 0.116) 0.664 8.284 ( 0.155 0.438 0.031) 0.466 8.286 ( 0.034 0.175 0.009) 0.179 10.306 ( -4.506 3.002 0.326) 5.424 10.316 ( -5.018 2.144 0.458) 5.476 11.336 ( 1.363 0.044 0.016) 1.363 11.360 ( 0.187 -2.415 -0.192) 2.430 11.713 ( 3.202 5.254 -1.029) 6.238 11.757 ( 0.160 4.688 1.367) 4.886 11.827 ( 3.517 -5.158 -2.340) 6.667 11.862 ( -0.058 -4.838 1.592) 5.093 12.140 ( 1.935 1.296 -0.286) 2.346 12.147 ( 1.564 0.590 0.113) 1.675======================= Grid point 154 (72/72) =======================q-point: (-0.50 0.43 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 64Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.057 ( -1.230 3.461 -0.160) 3.676 1.057 ( 1.230 3.461 0.160) 3.676 1.151 ( -0.440 -1.197 -0.632) 1.423 1.151 ( 0.440 -1.197 0.632) 1.423 1.267 ( 0.122 5.745 -5.233) 7.772 1.267 ( -0.122 5.745 5.233) 7.772 1.438 ( 3.853 -0.415 -4.416) 5.875 1.438 ( -3.853 -0.415 4.416) 5.875 1.474 ( -2.274 -0.541 -3.254) 4.006 1.474 ( 2.274 -0.541 3.254) 4.006 1.633 ( -0.271 -0.452 -4.900) 4.928 1.633 ( 0.271 -0.452 4.900) 4.928 2.063 ( -1.821 1.437 -2.026) 3.080 2.063 ( 1.821 1.437 2.026) 3.080 2.124 ( -4.979 5.938 -3.875) 8.664 2.124 ( 4.979 5.938 3.875) 8.664 2.275 ( -4.480 -6.453 -1.584) 8.014 2.275 ( 4.480 -6.453 1.584) 8.014 2.478 ( 1.302 2.867 -1.982) 3.721 2.478 ( -1.302 2.867 1.982) 3.721 2.659 ( 1.670 -3.620 -2.153) 4.531 2.659 ( -1.670 -3.620 2.153) 4.531 2.824 ( -0.931 1.675 -1.268) 2.298 2.824 ( 0.931 1.675 1.268) 2.298 2.850 ( -1.549 -0.365 -0.896) 1.826 2.850 ( 1.549 -0.365 0.896) 1.826 3.094 ( -0.851 1.489 -2.813) 3.294 3.094 ( 0.851 1.489 2.813) 3.294 3.137 ( -0.844 -1.231 -2.216) 2.671 3.137 ( 0.844 -1.231 2.216) 2.671 3.231 ( -2.023 3.500 -1.161) 4.206 3.231 ( 2.023 3.500 1.161) 4.206 3.309 ( -3.318 -1.798 0.636) 3.827 3.309 ( 3.318 -1.798 -0.636) 3.827 3.387 ( -0.543 0.210 -2.897) 2.955 3.387 ( 0.543 0.210 2.897) 2.955 3.528 ( 0.306 -2.215 -2.142) 3.097 3.528 ( -0.306 -2.215 2.142) 3.097 3.570 ( -0.732 -1.007 -0.747) 1.452 3.570 ( 0.732 -1.007 0.747) 1.452 3.779 ( -0.289 -0.017 -2.248) 2.266 3.779 ( 0.289 -0.017 2.248) 2.266 3.866 ( 0.346 2.032 -1.135) 2.353 3.866 ( -0.346 2.032 1.135) 2.353 3.947 ( -0.526 -0.694 -0.542) 1.026 3.947 ( 0.526 -0.694 0.542) 1.026 4.233 ( -1.092 0.419 -1.402) 1.825 4.233 ( 1.092 0.419 1.402) 1.825 4.383 ( -0.387 1.376 -0.688) 1.586 4.383 ( 0.387 1.376 0.688) 1.586 4.524 ( 1.087 -1.605 -0.838) 2.111 4.524 ( -1.087 -1.605 0.838) 2.111 4.603 ( -0.667 -0.516 -0.938) 1.262 4.603 ( 0.667 -0.516 0.938) 1.262 4.816 ( -0.623 2.014 -1.635) 2.667 4.816 ( 0.623 2.014 1.635) 2.667 4.868 ( -1.422 -1.558 -0.748) 2.238 4.868 ( 1.422 -1.558 0.748) 2.238 4.935 ( 1.337 1.043 -2.870) 3.334 4.935 ( -1.337 1.043 2.870) 3.334 5.071 ( -0.342 0.642 -2.524) 2.627 5.071 ( 0.342 0.642 2.524) 2.627 5.163 ( -1.085 -2.089 -3.297) 4.051 5.163 ( 1.085 -2.089 3.297) 4.051 5.208 ( 0.348 -3.202 -2.485) 4.068 5.208 ( -0.348 -3.202 2.485) 4.068 5.540 ( -0.650 -1.444 -0.652) 1.713 5.540 ( 0.650 -1.444 0.652) 1.713 6.129 ( -0.668 -0.461 -0.719) 1.085 6.129 ( 0.668 -0.461 0.719) 1.085 6.506 ( -0.288 0.088 -0.235) 0.382 6.506 ( 0.288 0.088 0.235) 0.382 8.286 ( -0.004 0.312 -0.077) 0.322 8.286 ( 0.004 0.312 0.077) 0.322 10.271 ( -0.001 2.553 -0.149) 2.558 10.271 ( 0.001 2.553 0.149) 2.558 11.355 ( -0.584 -1.353 -0.249) 1.494 11.355 ( 0.584 -1.353 0.249) 1.494 11.750 ( 0.753 5.366 -0.840) 5.483 11.750 ( -0.753 5.366 0.840) 5.483 11.858 ( 1.917 -5.203 -1.873) 5.852 11.858 ( -1.917 -5.203 1.873) 5.852 12.158 ( 0.207 0.906 -0.210) 0.953 12.158 ( -0.207 0.906 0.210) 0.953=================== 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 3/18816 10.0 31.071 22.617 29.633 0.000 2.584 0.000 3/18816 20.0 9.684 8.139 9.504 0.000 1.086 0.000 3/18816 30.0 4.803 4.326 4.895 0.000 0.494 0.000 3/18816 40.0 2.961 2.757 3.090 0.000 0.292 0.000 3/18816 50.0 2.090 1.977 2.214 0.000 0.202 0.000 3/18816 60.0 1.607 1.533 1.719 0.000 0.154 0.000 3/18816 70.0 1.306 1.254 1.406 0.000 0.124 0.000 3/18816 80.0 1.104 1.064 1.192 0.000 0.104 0.000 3/18816 90.0 0.959 0.927 1.038 0.000 0.089 0.000 3/18816 100.0 0.851 0.824 0.920 0.000 0.078 0.000 3/18816 110.0 0.767 0.744 0.828 0.000 0.069 0.000 3/18816 120.0 0.699 0.680 0.754 0.000 0.062 0.000 3/18816 130.0 0.644 0.627 0.693 0.000 0.056 0.000 3/18816 140.0 0.598 0.583 0.641 0.000 0.051 0.000 3/18816 150.0 0.558 0.545 0.597 0.000 0.047 0.000 3/18816 160.0 0.524 0.512 0.559 0.000 0.044 0.000 3/18816 170.0 0.494 0.484 0.526 0.000 0.040 0.000 3/18816 180.0 0.468 0.458 0.497 0.000 0.038 0.000 3/18816 190.0 0.444 0.435 0.471 0.000 0.035 0.000 3/18816 200.0 0.423 0.415 0.447 0.000 0.033 0.000 3/18816 210.0 0.404 0.396 0.426 0.000 0.031 0.000 3/18816 220.0 0.386 0.380 0.407 0.000 0.030 0.000 3/18816 230.0 0.370 0.364 0.389 0.000 0.028 0.000 3/18816 240.0 0.356 0.350 0.373 0.000 0.027 0.000 3/18816 250.0 0.342 0.337 0.359 0.000 0.025 0.000 3/18816 260.0 0.330 0.325 0.345 0.000 0.024 0.000 3/18816 270.0 0.318 0.313 0.332 0.000 0.023 0.000 3/18816 280.0 0.307 0.303 0.321 0.000 0.022 0.000 3/18816 290.0 0.297 0.293 0.310 0.000 0.021 0.000 3/18816 300.0 0.288 0.284 0.300 0.000 0.021 0.000 3/18816 310.0 0.279 0.275 0.290 0.000 0.020 0.000 3/18816 320.0 0.270 0.267 0.281 0.000 0.019 0.000 3/18816 330.0 0.262 0.259 0.273 0.000 0.019 0.000 3/18816 340.0 0.255 0.252 0.265 0.000 0.018 0.000 3/18816 350.0 0.248 0.245 0.257 0.000 0.017 0.000 3/18816 360.0 0.241 0.238 0.250 0.000 0.017 0.000 3/18816 370.0 0.235 0.232 0.244 0.000 0.016 0.000 3/18816 380.0 0.229 0.226 0.237 0.000 0.016 0.000 3/18816 390.0 0.223 0.221 0.231 0.000 0.015 0.000 3/18816 400.0 0.218 0.215 0.226 0.000 0.015 0.000 3/18816 410.0 0.213 0.210 0.220 0.000 0.015 0.000 3/18816 420.0 0.208 0.206 0.215 0.000 0.014 0.000 3/18816 430.0 0.203 0.201 0.210 0.000 0.014 0.000 3/18816 440.0 0.199 0.197 0.205 0.000 0.014 0.000 3/18816 450.0 0.194 0.192 0.201 0.000 0.013 0.000 3/18816 460.0 0.190 0.188 0.196 0.000 0.013 0.000 3/18816 470.0 0.186 0.184 0.192 0.000 0.013 0.000 3/18816 480.0 0.183 0.181 0.188 0.000 0.012 0.000 3/18816 490.0 0.179 0.177 0.185 0.000 0.012 0.000 3/18816 500.0 0.175 0.174 0.181 0.000 0.012 0.000 3/18816 510.0 0.172 0.170 0.177 0.000 0.012 0.000 3/18816 520.0 0.169 0.167 0.174 0.000 0.011 0.000 3/18816 530.0 0.166 0.164 0.171 0.000 0.011 0.000 3/18816 540.0 0.163 0.161 0.168 0.000 0.011 0.000 3/18816 550.0 0.160 0.158 0.165 0.000 0.011 0.000 3/18816 560.0 0.157 0.155 0.162 0.000 0.010 0.000 3/18816 570.0 0.154 0.153 0.159 0.000 0.010 0.000 3/18816 580.0 0.152 0.150 0.156 0.000 0.010 0.000 3/18816 590.0 0.149 0.148 0.154 0.000 0.010 0.000 3/18816 600.0 0.147 0.145 0.151 0.000 0.010 0.000 3/18816 610.0 0.144 0.143 0.149 0.000 0.010 0.000 3/18816 620.0 0.142 0.141 0.146 0.000 0.009 0.000 3/18816 630.0 0.140 0.139 0.144 0.000 0.009 0.000 3/18816 640.0 0.138 0.136 0.142 0.000 0.009 0.000 3/18816 650.0 0.136 0.134 0.139 0.000 0.009 0.000 3/18816 660.0 0.134 0.132 0.137 0.000 0.009 0.000 3/18816 670.0 0.132 0.130 0.135 0.000 0.009 0.000 3/18816 680.0 0.130 0.129 0.133 0.000 0.009 0.000 3/18816 690.0 0.128 0.127 0.131 0.000 0.008 0.000 3/18816 700.0 0.126 0.125 0.130 0.000 0.008 0.000 3/18816 710.0 0.124 0.123 0.128 0.000 0.008 0.000 3/18816 720.0 0.123 0.121 0.126 0.000 0.008 0.000 3/18816 730.0 0.121 0.120 0.124 0.000 0.008 0.000 3/18816 740.0 0.119 0.118 0.123 0.000 0.008 0.000 3/18816 750.0 0.118 0.117 0.121 0.000 0.008 0.000 3/18816 760.0 0.116 0.115 0.119 0.000 0.008 0.000 3/18816 770.0 0.115 0.114 0.118 0.000 0.008 0.000 3/18816 780.0 0.113 0.112 0.116 0.000 0.007 0.000 3/18816 790.0 0.112 0.111 0.115 0.000 0.007 0.000 3/18816 800.0 0.110 0.109 0.113 0.000 0.007 0.000 3/18816 810.0 0.109 0.108 0.112 0.000 0.007 0.000 3/18816 820.0 0.108 0.107 0.111 0.000 0.007 0.000 3/18816 830.0 0.107 0.106 0.109 0.000 0.007 0.000 3/18816 840.0 0.105 0.104 0.108 0.000 0.007 0.000 3/18816 850.0 0.104 0.103 0.107 0.000 0.007 0.000 3/18816 860.0 0.103 0.102 0.106 0.000 0.007 0.000 3/18816 870.0 0.102 0.101 0.104 0.000 0.007 0.000 3/18816 880.0 0.101 0.100 0.103 0.000 0.007 0.000 3/18816 890.0 0.099 0.099 0.102 0.000 0.006 0.000 3/18816 900.0 0.098 0.097 0.101 0.000 0.006 0.000 3/18816 910.0 0.097 0.096 0.100 0.000 0.006 0.000 3/18816 920.0 0.096 0.095 0.099 0.000 0.006 0.000 3/18816 930.0 0.095 0.094 0.098 0.000 0.006 0.000 3/18816 940.0 0.094 0.093 0.097 0.000 0.006 0.000 3/18816 950.0 0.093 0.092 0.096 0.000 0.006 0.000 3/18816 960.0 0.092 0.091 0.095 0.000 0.006 0.000 3/18816 970.0 0.091 0.090 0.094 0.000 0.006 0.000 3/18816 980.0 0.090 0.090 0.093 0.000 0.006 0.000 3/18816 990.0 0.089 0.089 0.092 0.000 0.006 0.000 3/18816 1000.0 0.089 0.088 0.091 0.000 0.006 0.000 3/18816Thermal conductivity related properties were written into "kappa-m874.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-07 23:36:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|