----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:02:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.170725201258366 0.000000000000000 0.000000000000000 b 0.000000000000000 8.101635899999998 0.000000000000000 c -3.542667432008753 0.000000000000000 14.769898407723909 Atomic positions (fractional): *1 S 0.06472810826597 0.81131257733040 0.21758776860733 32.065 2 S 0.93527189173403 0.31131257733040 0.28241223139267 32.065 3 S 0.93527189173403 0.18868742266960 0.78241223139267 32.065 4 S 0.06472810826597 0.68868742266960 0.71758776860733 32.065 *5 S 0.30037518681802 0.35822896407584 0.96854365815162 32.065 6 S 0.69962481318198 0.85822896407585 0.53145634184838 32.065 7 S 0.69962481318198 0.64177103592415 0.03145634184838 32.065 8 S 0.30037518681802 0.14177103592415 0.46854365815162 32.065 *9 S 0.40755231373379 0.44273293131043 0.28965055331574 32.065 10 S 0.59244768626621 0.94273293131043 0.21034944668426 32.065 11 S 0.59244768626621 0.55726706868957 0.71034944668426 32.065 12 S 0.40755231373379 0.05726706868957 0.78965055331574 32.065 *13 S 0.82397077426632 0.37809010464604 0.53236063750290 32.065 14 S 0.17602922573368 0.87809010464604 0.96763936249710 32.065 15 S 0.17602922573368 0.62190989535396 0.46763936249710 32.065 16 S 0.82397077426632 0.12190989535396 0.03236063750290 32.065 *17 Sn 0.20601188810992 0.11794908101298 0.87833033861316 118.710 18 Sn 0.79398811189008 0.61794908101298 0.62166966138684 118.710 19 Sn 0.79398811189008 0.88205091898702 0.12166966138684 118.710 20 Sn 0.20601188810992 0.38205091898702 0.37833033861316 118.710 *21 Tl 0.39926170181408 0.79564722758430 0.36196341053150 204.383 22 Tl 0.60073829818592 0.29564722758431 0.13803658946850 204.383 23 Tl 0.60073829818592 0.20435277241569 0.63803658946850 204.383 24 Tl 0.39926170181408 0.70435277241570 0.86196341053150 204.383 *25 Tl 0.61183912269155 0.17047090751266 0.38676303552990 204.383 26 Tl 0.38816087730845 0.67047090751266 0.11323696447010 204.383 27 Tl 0.38816087730845 0.82952909248734 0.61323696447010 204.383 28 Tl 0.61183912269155 0.32952909248734 0.88676303552990 204.383 *29 Tl 0.79779721972854 0.60007147166651 0.36771672679383 204.383 30 Tl 0.20220278027146 0.10007147166651 0.13228327320617 204.383 31 Tl 0.20220278027146 0.39992852833349 0.63228327320617 204.383 32 Tl 0.79779721972854 0.89992852833349 0.86771672679383 204.383 *33 Tl 0.97324401095827 0.97542039271858 0.37695828967457 204.383 34 Tl 0.02675598904173 0.47542039271858 0.12304171032543 204.383 35 Tl 0.02675598904173 0.02457960728142 0.62304171032543 204.383 36 Tl 0.97324401095827 0.52457960728142 0.87695828967457 204.383 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.170725201258366 0.000000000000000 0.000000000000000 b 0.000000000000000 8.101635899999998 0.000000000000000 c -3.542667432008753 0.000000000000000 14.769898407723909 Atomic positions (fractional): *1 S 0.06472810826597 0.81131257733040 0.21758776860733 32.065 > 1 2 S 0.93527189173403 0.31131257733040 0.28241223139267 32.065 > 2 3 S 0.93527189173403 0.18868742266960 0.78241223139267 32.065 > 3 4 S 0.06472810826597 0.68868742266960 0.71758776860733 32.065 > 4 *5 S 0.30037518681802 0.35822896407584 0.96854365815162 32.065 > 5 6 S 0.69962481318198 0.85822896407585 0.53145634184838 32.065 > 6 7 S 0.69962481318198 0.64177103592415 0.03145634184838 32.065 > 7 8 S 0.30037518681802 0.14177103592415 0.46854365815162 32.065 > 8 *9 S 0.40755231373379 0.44273293131043 0.28965055331574 32.065 > 9 10 S 0.59244768626621 0.94273293131043 0.21034944668426 32.065 > 10 11 S 0.59244768626621 0.55726706868957 0.71034944668426 32.065 > 11 12 S 0.40755231373379 0.05726706868957 0.78965055331574 32.065 > 12 *13 S 0.82397077426632 0.37809010464604 0.53236063750290 32.065 > 13 14 S 0.17602922573368 0.87809010464604 0.96763936249710 32.065 > 14 15 S 0.17602922573368 0.62190989535396 0.46763936249710 32.065 > 15 16 S 0.82397077426632 0.12190989535396 0.03236063750290 32.065 > 16 *17 Sn 0.20601188810992 0.11794908101298 0.87833033861316 118.710 > 17 18 Sn 0.79398811189008 0.61794908101298 0.62166966138684 118.710 > 18 19 Sn 0.79398811189008 0.88205091898702 0.12166966138684 118.710 > 19 20 Sn 0.20601188810992 0.38205091898702 0.37833033861316 118.710 > 20 *21 Tl 0.39926170181408 0.79564722758430 0.36196341053150 204.383 > 21 22 Tl 0.60073829818592 0.29564722758431 0.13803658946850 204.383 > 22 23 Tl 0.60073829818592 0.20435277241569 0.63803658946850 204.383 > 23 24 Tl 0.39926170181408 0.70435277241570 0.86196341053150 204.383 > 24 *25 Tl 0.61183912269155 0.17047090751266 0.38676303552990 204.383 > 25 26 Tl 0.38816087730845 0.67047090751266 0.11323696447010 204.383 > 26 27 Tl 0.38816087730845 0.82952909248734 0.61323696447010 204.383 > 27 28 Tl 0.61183912269155 0.32952909248734 0.88676303552990 204.383 > 28 *29 Tl 0.79779721972854 0.60007147166651 0.36771672679383 204.383 > 29 30 Tl 0.20220278027146 0.10007147166651 0.13228327320617 204.383 > 30 31 Tl 0.20220278027146 0.39992852833349 0.63228327320617 204.383 > 31 32 Tl 0.79779721972854 0.89992852833349 0.86771672679383 204.383 > 32 *33 Tl 0.97324401095827 0.97542039271858 0.37695828967457 204.383 > 33 34 Tl 0.02675598904173 0.47542039271858 0.12304171032543 204.383 > 34 35 Tl 0.02675598904173 0.02457960728142 0.62304171032543 204.383 > 35 36 Tl 0.97324401095827 0.52457960728142 0.87695828967457 204.383 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.341450402516731 0.000000000000000 0.000000000000000 b 0.000000000000000 16.203271799999996 0.000000000000000 c -3.542667432008753 0.000000000000000 14.769898407723909 Atomic positions (fractional): *1 S 0.03236405413299 0.40565628866520 0.21758776860733 32.065 > 1 2 S 0.53236405413299 0.40565628866520 0.21758776860733 32.065 > 1 3 S 0.03236405413299 0.90565628866520 0.21758776860733 32.065 > 1 4 S 0.53236405413299 0.90565628866520 0.21758776860733 32.065 > 1 5 S 0.46763594586701 0.15565628866520 0.28241223139267 32.065 > 2 6 S 0.96763594586701 0.15565628866520 0.28241223139267 32.065 > 2 7 S 0.46763594586701 0.65565628866520 0.28241223139267 32.065 > 2 8 S 0.96763594586701 0.65565628866520 0.28241223139267 32.065 > 2 9 S 0.46763594586701 0.09434371133480 0.78241223139267 32.065 > 3 10 S 0.96763594586701 0.09434371133480 0.78241223139267 32.065 > 3 11 S 0.46763594586701 0.59434371133480 0.78241223139267 32.065 > 3 12 S 0.96763594586701 0.59434371133480 0.78241223139267 32.065 > 3 13 S 0.03236405413299 0.34434371133480 0.71758776860733 32.065 > 4 14 S 0.53236405413299 0.34434371133480 0.71758776860733 32.065 > 4 15 S 0.03236405413299 0.84434371133480 0.71758776860733 32.065 > 4 16 S 0.53236405413299 0.84434371133480 0.71758776860733 32.065 > 4 *17 S 0.15018759340901 0.17911448203792 0.96854365815162 32.065 > 5 18 S 0.65018759340901 0.17911448203792 0.96854365815162 32.065 > 5 19 S 0.15018759340901 0.67911448203792 0.96854365815162 32.065 > 5 20 S 0.65018759340901 0.67911448203792 0.96854365815162 32.065 > 5 21 S 0.34981240659099 0.42911448203792 0.53145634184838 32.065 > 6 22 S 0.84981240659099 0.42911448203792 0.53145634184838 32.065 > 6 23 S 0.34981240659099 0.92911448203792 0.53145634184838 32.065 > 6 24 S 0.84981240659099 0.92911448203792 0.53145634184838 32.065 > 6 25 S 0.34981240659099 0.32088551796208 0.03145634184838 32.065 > 7 26 S 0.84981240659099 0.32088551796208 0.03145634184838 32.065 > 7 27 S 0.34981240659099 0.82088551796208 0.03145634184838 32.065 > 7 28 S 0.84981240659099 0.82088551796208 0.03145634184838 32.065 > 7 29 S 0.15018759340901 0.07088551796208 0.46854365815162 32.065 > 8 30 S 0.65018759340901 0.07088551796208 0.46854365815162 32.065 > 8 31 S 0.15018759340901 0.57088551796208 0.46854365815162 32.065 > 8 32 S 0.65018759340901 0.57088551796208 0.46854365815162 32.065 > 8 *33 S 0.20377615686689 0.22136646565522 0.28965055331574 32.065 > 9 34 S 0.70377615686689 0.22136646565522 0.28965055331574 32.065 > 9 35 S 0.20377615686689 0.72136646565522 0.28965055331574 32.065 > 9 36 S 0.70377615686689 0.72136646565522 0.28965055331574 32.065 > 9 37 S 0.29622384313311 0.47136646565522 0.21034944668426 32.065 > 10 38 S 0.79622384313311 0.47136646565522 0.21034944668426 32.065 > 10 39 S 0.29622384313311 0.97136646565522 0.21034944668426 32.065 > 10 40 S 0.79622384313311 0.97136646565522 0.21034944668426 32.065 > 10 41 S 0.29622384313311 0.27863353434478 0.71034944668426 32.065 > 11 42 S 0.79622384313311 0.27863353434478 0.71034944668426 32.065 > 11 43 S 0.29622384313311 0.77863353434478 0.71034944668426 32.065 > 11 44 S 0.79622384313311 0.77863353434478 0.71034944668426 32.065 > 11 45 S 0.20377615686689 0.02863353434478 0.78965055331574 32.065 > 12 46 S 0.70377615686689 0.02863353434478 0.78965055331574 32.065 > 12 47 S 0.20377615686689 0.52863353434478 0.78965055331574 32.065 > 12 48 S 0.70377615686689 0.52863353434478 0.78965055331574 32.065 > 12 *49 S 0.41198538713316 0.18904505232302 0.53236063750290 32.065 > 13 50 S 0.91198538713316 0.18904505232302 0.53236063750290 32.065 > 13 51 S 0.41198538713316 0.68904505232302 0.53236063750290 32.065 > 13 52 S 0.91198538713316 0.68904505232302 0.53236063750290 32.065 > 13 53 S 0.08801461286684 0.43904505232302 0.96763936249710 32.065 > 14 54 S 0.58801461286684 0.43904505232302 0.96763936249710 32.065 > 14 55 S 0.08801461286684 0.93904505232302 0.96763936249710 32.065 > 14 56 S 0.58801461286684 0.93904505232302 0.96763936249710 32.065 > 14 57 S 0.08801461286684 0.31095494767698 0.46763936249710 32.065 > 15 58 S 0.58801461286684 0.31095494767698 0.46763936249710 32.065 > 15 59 S 0.08801461286684 0.81095494767698 0.46763936249710 32.065 > 15 60 S 0.58801461286684 0.81095494767698 0.46763936249710 32.065 > 15 61 S 0.41198538713316 0.06095494767698 0.03236063750290 32.065 > 16 62 S 0.91198538713316 0.06095494767698 0.03236063750290 32.065 > 16 63 S 0.41198538713316 0.56095494767698 0.03236063750290 32.065 > 16 64 S 0.91198538713316 0.56095494767698 0.03236063750290 32.065 > 16 *65 Sn 0.10300594405496 0.05897454050649 0.87833033861316 118.710 > 17 66 Sn 0.60300594405496 0.05897454050649 0.87833033861316 118.710 > 17 67 Sn 0.10300594405496 0.55897454050649 0.87833033861316 118.710 > 17 68 Sn 0.60300594405496 0.55897454050649 0.87833033861316 118.710 > 17 69 Sn 0.39699405594504 0.30897454050649 0.62166966138684 118.710 > 18 70 Sn 0.89699405594504 0.30897454050649 0.62166966138684 118.710 > 18 71 Sn 0.39699405594504 0.80897454050649 0.62166966138684 118.710 > 18 72 Sn 0.89699405594504 0.80897454050649 0.62166966138684 118.710 > 18 73 Sn 0.39699405594504 0.44102545949351 0.12166966138684 118.710 > 19 74 Sn 0.89699405594504 0.44102545949351 0.12166966138684 118.710 > 19 75 Sn 0.39699405594504 0.94102545949351 0.12166966138684 118.710 > 19 76 Sn 0.89699405594504 0.94102545949351 0.12166966138684 118.710 > 19 77 Sn 0.10300594405496 0.19102545949351 0.37833033861316 118.710 > 20 78 Sn 0.60300594405496 0.19102545949351 0.37833033861316 118.710 > 20 79 Sn 0.10300594405496 0.69102545949351 0.37833033861316 118.710 > 20 80 Sn 0.60300594405496 0.69102545949351 0.37833033861316 118.710 > 20 *81 Tl 0.19963085090704 0.39782361379215 0.36196341053150 204.383 > 21 82 Tl 0.69963085090704 0.39782361379215 0.36196341053150 204.383 > 21 83 Tl 0.19963085090704 0.89782361379215 0.36196341053150 204.383 > 21 84 Tl 0.69963085090704 0.89782361379215 0.36196341053150 204.383 > 21 85 Tl 0.30036914909296 0.14782361379215 0.13803658946850 204.383 > 22 86 Tl 0.80036914909296 0.14782361379215 0.13803658946850 204.383 > 22 87 Tl 0.30036914909296 0.64782361379215 0.13803658946850 204.383 > 22 88 Tl 0.80036914909296 0.64782361379215 0.13803658946850 204.383 > 22 89 Tl 0.30036914909296 0.10217638620785 0.63803658946850 204.383 > 23 90 Tl 0.80036914909296 0.10217638620785 0.63803658946850 204.383 > 23 91 Tl 0.30036914909296 0.60217638620785 0.63803658946850 204.383 > 23 92 Tl 0.80036914909296 0.60217638620785 0.63803658946850 204.383 > 23 93 Tl 0.19963085090704 0.35217638620785 0.86196341053150 204.383 > 24 94 Tl 0.69963085090704 0.35217638620785 0.86196341053150 204.383 > 24 95 Tl 0.19963085090704 0.85217638620785 0.86196341053150 204.383 > 24 96 Tl 0.69963085090704 0.85217638620785 0.86196341053150 204.383 > 24 *97 Tl 0.30591956134578 0.08523545375633 0.38676303552990 204.383 > 25 98 Tl 0.80591956134578 0.08523545375633 0.38676303552990 204.383 > 25 99 Tl 0.30591956134578 0.58523545375633 0.38676303552990 204.383 > 25 100 Tl 0.80591956134578 0.58523545375633 0.38676303552990 204.383 > 25 101 Tl 0.19408043865423 0.33523545375633 0.11323696447010 204.383 > 26 102 Tl 0.69408043865422 0.33523545375633 0.11323696447010 204.383 > 26 103 Tl 0.19408043865423 0.83523545375633 0.11323696447010 204.383 > 26 104 Tl 0.69408043865422 0.83523545375633 0.11323696447010 204.383 > 26 105 Tl 0.19408043865423 0.41476454624367 0.61323696447010 204.383 > 27 106 Tl 0.69408043865422 0.41476454624367 0.61323696447010 204.383 > 27 107 Tl 0.19408043865423 0.91476454624367 0.61323696447010 204.383 > 27 108 Tl 0.69408043865422 0.91476454624367 0.61323696447010 204.383 > 27 109 Tl 0.30591956134578 0.16476454624367 0.88676303552990 204.383 > 28 110 Tl 0.80591956134578 0.16476454624367 0.88676303552990 204.383 > 28 111 Tl 0.30591956134578 0.66476454624367 0.88676303552990 204.383 > 28 112 Tl 0.80591956134578 0.66476454624367 0.88676303552990 204.383 > 28 *113 Tl 0.39889860986427 0.30003573583325 0.36771672679383 204.383 > 29 114 Tl 0.89889860986427 0.30003573583325 0.36771672679383 204.383 > 29 115 Tl 0.39889860986427 0.80003573583325 0.36771672679383 204.383 > 29 116 Tl 0.89889860986427 0.80003573583325 0.36771672679383 204.383 > 29 117 Tl 0.10110139013573 0.05003573583325 0.13228327320617 204.383 > 30 118 Tl 0.60110139013573 0.05003573583325 0.13228327320617 204.383 > 30 119 Tl 0.10110139013573 0.55003573583325 0.13228327320617 204.383 > 30 120 Tl 0.60110139013573 0.55003573583325 0.13228327320617 204.383 > 30 121 Tl 0.10110139013573 0.19996426416675 0.63228327320617 204.383 > 31 122 Tl 0.60110139013573 0.19996426416675 0.63228327320617 204.383 > 31 123 Tl 0.10110139013573 0.69996426416675 0.63228327320617 204.383 > 31 124 Tl 0.60110139013573 0.69996426416675 0.63228327320617 204.383 > 31 125 Tl 0.39889860986427 0.44996426416675 0.86771672679383 204.383 > 32 126 Tl 0.89889860986427 0.44996426416675 0.86771672679383 204.383 > 32 127 Tl 0.39889860986427 0.94996426416675 0.86771672679383 204.383 > 32 128 Tl 0.89889860986427 0.94996426416675 0.86771672679383 204.383 > 32 *129 Tl 0.48662200547913 0.48771019635929 0.37695828967457 204.383 > 33 130 Tl 0.98662200547913 0.48771019635929 0.37695828967457 204.383 > 33 131 Tl 0.48662200547913 0.98771019635929 0.37695828967457 204.383 > 33 132 Tl 0.98662200547913 0.98771019635929 0.37695828967457 204.383 > 33 133 Tl 0.01337799452087 0.23771019635929 0.12304171032543 204.383 > 34 134 Tl 0.51337799452087 0.23771019635929 0.12304171032543 204.383 > 34 135 Tl 0.01337799452087 0.73771019635929 0.12304171032543 204.383 > 34 136 Tl 0.51337799452087 0.73771019635929 0.12304171032543 204.383 > 34 137 Tl 0.01337799452087 0.01228980364071 0.62304171032543 204.383 > 35 138 Tl 0.51337799452087 0.01228980364071 0.62304171032543 204.383 > 35 139 Tl 0.01337799452087 0.51228980364071 0.62304171032543 204.383 > 35 140 Tl 0.51337799452087 0.51228980364071 0.62304171032543 204.383 > 35 141 Tl 0.48662200547913 0.26228980364071 0.87695828967457 204.383 > 36 142 Tl 0.98662200547913 0.26228980364071 0.87695828967457 204.383 > 36 143 Tl 0.48662200547913 0.76228980364071 0.87695828967457 204.383 > 36 144 Tl 0.98662200547913 0.76228980364071 0.87695828967457 204.383 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0350554 0.0000000 0.3586576 0.0000000 9.7934158 0.0000000 0.3586506 0.0000000 9.6924363 -------------------------- Born effective charges -------------------------- 1 S -2.9603948 0.3603322 -0.0802944 0.0395450 -3.0922791 -0.1977468 -0.0577308 0.0434221 -2.8634943 2 S -2.9603948 -0.3603322 -0.0802944 -0.0395450 -3.0922791 0.1977468 -0.0577308 -0.0434221 -2.8634943 3 S -2.9603948 0.3603322 -0.0802944 0.0395450 -3.0922791 -0.1977468 -0.0577308 0.0434221 -2.8634943 4 S -2.9603948 -0.3603322 -0.0802944 -0.0395450 -3.0922791 0.1977468 -0.0577308 -0.0434221 -2.8634943 5 S -3.2864474 -0.0078779 -0.4860688 0.0210751 -2.8031038 -0.0760674 -0.3937862 -0.3374147 -2.6982704 6 S -3.2864474 0.0078779 -0.4860688 -0.0210751 -2.8031038 0.0760674 -0.3937862 0.3374147 -2.6982704 7 S -3.2864474 -0.0078779 -0.4860688 0.0210751 -2.8031038 -0.0760674 -0.3937862 -0.3374147 -2.6982704 8 S -3.2864474 0.0078779 -0.4860688 -0.0210751 -2.8031038 0.0760674 -0.3937862 0.3374147 -2.6982704 9 S -3.0746962 0.0472255 0.2321126 0.2337354 -3.0743860 0.3778356 0.2256476 0.4181086 -2.2898149 10 S -3.0746962 -0.0472255 0.2321126 -0.2337354 -3.0743860 -0.3778356 0.2256476 -0.4181086 -2.2898149 11 S -3.0746962 0.0472255 0.2321126 0.2337354 -3.0743860 0.3778356 0.2256476 0.4181086 -2.2898149 12 S -3.0746962 -0.0472255 0.2321126 -0.2337354 -3.0743860 -0.3778356 0.2256476 -0.4181086 -2.2898149 13 S -2.4730258 -0.4715958 0.3805734 -0.3641924 -3.2817252 -0.1729269 0.3932010 -0.0961671 -2.7468022 14 S -2.4730258 0.4715958 0.3805734 0.3641924 -3.2817252 0.1729269 0.3932010 0.0961671 -2.7468022 15 S -2.4730258 -0.4715958 0.3805734 -0.3641924 -3.2817252 -0.1729269 0.3932010 -0.0961671 -2.7468022 16 S -2.4730258 0.4715958 0.3805734 0.3641924 -3.2817252 0.1729269 0.3932010 0.0961671 -2.7468022 17 Sn 3.3772981 0.0073332 -0.0464994 0.2879947 3.3708794 0.0795919 -0.1774423 0.0578060 2.6206959 18 Sn 3.3772981 -0.0073332 -0.0464994 -0.2879947 3.3708794 -0.0795919 -0.1774423 -0.0578060 2.6206959 19 Sn 3.3772981 0.0073332 -0.0464994 0.2879947 3.3708794 0.0795919 -0.1774423 0.0578060 2.6206959 20 Sn 3.3772981 -0.0073332 -0.0464994 -0.2879947 3.3708794 -0.0795919 -0.1774423 -0.0578060 2.6206959 21 Tl 2.2575320 0.2558499 0.0768726 0.2574136 2.1514281 0.2390677 0.0995124 0.1799790 2.1276839 22 Tl 2.2575320 -0.2558499 0.0768726 -0.2574136 2.1514281 -0.2390677 0.0995124 -0.1799790 2.1276839 23 Tl 2.2575320 0.2558499 0.0768726 0.2574136 2.1514281 0.2390677 0.0995124 0.1799790 2.1276839 24 Tl 2.2575320 -0.2558499 0.0768726 -0.2574136 2.1514281 -0.2390677 0.0995124 -0.1799790 2.1276839 25 Tl 2.1022969 -0.2451462 -0.1619959 -0.2485693 2.2597283 0.0667089 -0.0236796 0.1688840 1.9876313 26 Tl 2.1022969 0.2451462 -0.1619959 0.2485693 2.2597283 -0.0667089 -0.0236796 -0.1688840 1.9876313 27 Tl 2.1022969 -0.2451462 -0.1619959 -0.2485693 2.2597283 0.0667089 -0.0236796 0.1688840 1.9876313 28 Tl 2.1022969 0.2451462 -0.1619959 0.2485693 2.2597283 -0.0667089 -0.0236796 -0.1688840 1.9876313 29 Tl 2.1338512 -0.1844105 -0.1009755 -0.1177226 2.0450751 -0.0219354 -0.1173976 -0.0995104 1.9033849 30 Tl 2.1338512 0.1844105 -0.1009755 0.1177226 2.0450751 0.0219354 -0.1173976 0.0995104 1.9033849 31 Tl 2.1338512 -0.1844105 -0.1009755 -0.1177226 2.0450751 -0.0219354 -0.1173976 -0.0995104 1.9033849 32 Tl 2.1338512 0.1844105 -0.1009755 0.1177226 2.0450751 0.0219354 -0.1173976 0.0995104 1.9033849 33 Tl 1.9235861 0.2542226 0.1862755 0.1425359 2.4243832 0.0876590 0.0516754 0.1279098 1.9589858 34 Tl 1.9235861 -0.2542226 0.1862755 -0.1425359 2.4243832 -0.0876590 0.0516754 -0.1279098 1.9589858 35 Tl 1.9235861 0.2542226 0.1862755 0.1425359 2.4243832 0.0876590 0.0516754 0.1279098 1.9589858 36 Tl 1.9235861 -0.2542226 0.1862755 -0.1425359 2.4243832 -0.0876590 0.0516754 -0.1279098 1.9589858 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.013 Solver_block: 100 / 1120 - Time: 3.036 Solver_block: 200 / 1120 - Time: 3.152 Solver_block: 300 / 1120 - Time: 3.151 Solver_block: 400 / 1120 - Time: 3.386 Solver_block: 500 / 1120 - Time: 3.201 Solver_block: 600 / 1120 - Time: 3.334 Solver_block: 700 / 1120 - Time: 3.097 Solver_block: 800 / 1120 - Time: 3.646 Solver_block: 900 / 1120 - Time: 3.651 Solver_block: 1000 / 1120 - Time: 3.334 Solver_block: 1100 / 1120 - Time: 3.104 Solver_block: 1120 / 1120 - Time: 0.893 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 38.596 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (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: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 7), data: (500, 16) @ (16, 7) |-- (250, 243), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 21:05:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:05:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.170725201258366 0.000000000000000 0.000000000000000 b 0.000000000000000 8.101635899999998 0.000000000000000 c -3.542667432008753 0.000000000000000 14.769898407723909 Atomic positions (fractional): 1 S 0.06472810826597 0.81131257733040 0.21758776860733 32.065 2 S 0.93527189173403 0.31131257733040 0.28241223139267 32.065 3 S 0.93527189173403 0.18868742266960 0.78241223139267 32.065 4 S 0.06472810826597 0.68868742266960 0.71758776860733 32.065 5 S 0.30037518681802 0.35822896407584 0.96854365815162 32.065 6 S 0.69962481318198 0.85822896407585 0.53145634184838 32.065 7 S 0.69962481318198 0.64177103592415 0.03145634184838 32.065 8 S 0.30037518681802 0.14177103592415 0.46854365815162 32.065 9 S 0.40755231373379 0.44273293131043 0.28965055331574 32.065 10 S 0.59244768626621 0.94273293131043 0.21034944668426 32.065 11 S 0.59244768626621 0.55726706868957 0.71034944668426 32.065 12 S 0.40755231373379 0.05726706868957 0.78965055331574 32.065 13 S 0.82397077426632 0.37809010464604 0.53236063750290 32.065 14 S 0.17602922573368 0.87809010464604 0.96763936249710 32.065 15 S 0.17602922573368 0.62190989535396 0.46763936249710 32.065 16 S 0.82397077426632 0.12190989535396 0.03236063750290 32.065 17 Sn 0.20601188810992 0.11794908101298 0.87833033861316 118.710 18 Sn 0.79398811189008 0.61794908101298 0.62166966138684 118.710 19 Sn 0.79398811189008 0.88205091898702 0.12166966138684 118.710 20 Sn 0.20601188810992 0.38205091898702 0.37833033861316 118.710 21 Tl 0.39926170181408 0.79564722758430 0.36196341053150 204.383 22 Tl 0.60073829818592 0.29564722758431 0.13803658946850 204.383 23 Tl 0.60073829818592 0.20435277241569 0.63803658946850 204.383 24 Tl 0.39926170181408 0.70435277241570 0.86196341053150 204.383 25 Tl 0.61183912269155 0.17047090751266 0.38676303552990 204.383 26 Tl 0.38816087730845 0.67047090751266 0.11323696447010 204.383 27 Tl 0.38816087730845 0.82952909248734 0.61323696447010 204.383 28 Tl 0.61183912269155 0.32952909248734 0.88676303552990 204.383 29 Tl 0.79779721972854 0.60007147166651 0.36771672679383 204.383 30 Tl 0.20220278027146 0.10007147166651 0.13228327320617 204.383 31 Tl 0.20220278027146 0.39992852833349 0.63228327320617 204.383 32 Tl 0.79779721972854 0.89992852833349 0.86771672679383 204.383 33 Tl 0.97324401095827 0.97542039271858 0.37695828967457 204.383 34 Tl 0.02675598904173 0.47542039271858 0.12304171032543 204.383 35 Tl 0.02675598904173 0.02457960728142 0.62304171032543 204.383 36 Tl 0.97324401095827 0.52457960728142 0.87695828967457 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.341450402516731 0.000000000000000 0.000000000000000 b 0.000000000000000 16.203271799999996 0.000000000000000 c -3.542667432008753 0.000000000000000 14.769898407723909 Atomic positions (fractional): 1 S 0.03236405413299 0.40565628866520 0.21758776860733 32.065 > 1 2 S 0.53236405413299 0.40565628866520 0.21758776860733 32.065 > 1 3 S 0.03236405413299 0.90565628866520 0.21758776860733 32.065 > 1 4 S 0.53236405413299 0.90565628866520 0.21758776860733 32.065 > 1 5 S 0.46763594586701 0.15565628866520 0.28241223139267 32.065 > 5 6 S 0.96763594586701 0.15565628866520 0.28241223139267 32.065 > 5 7 S 0.46763594586701 0.65565628866520 0.28241223139267 32.065 > 5 8 S 0.96763594586701 0.65565628866520 0.28241223139267 32.065 > 5 9 S 0.46763594586701 0.09434371133480 0.78241223139267 32.065 > 9 10 S 0.96763594586701 0.09434371133480 0.78241223139267 32.065 > 9 11 S 0.46763594586701 0.59434371133480 0.78241223139267 32.065 > 9 12 S 0.96763594586701 0.59434371133480 0.78241223139267 32.065 > 9 13 S 0.03236405413299 0.34434371133480 0.71758776860733 32.065 > 13 14 S 0.53236405413299 0.34434371133480 0.71758776860733 32.065 > 13 15 S 0.03236405413299 0.84434371133480 0.71758776860733 32.065 > 13 16 S 0.53236405413299 0.84434371133480 0.71758776860733 32.065 > 13 17 S 0.15018759340901 0.17911448203792 0.96854365815162 32.065 > 17 18 S 0.65018759340901 0.17911448203792 0.96854365815162 32.065 > 17 19 S 0.15018759340901 0.67911448203792 0.96854365815162 32.065 > 17 20 S 0.65018759340901 0.67911448203792 0.96854365815162 32.065 > 17 21 S 0.34981240659099 0.42911448203792 0.53145634184838 32.065 > 21 22 S 0.84981240659099 0.42911448203792 0.53145634184838 32.065 > 21 23 S 0.34981240659099 0.92911448203792 0.53145634184838 32.065 > 21 24 S 0.84981240659099 0.92911448203792 0.53145634184838 32.065 > 21 25 S 0.34981240659099 0.32088551796208 0.03145634184838 32.065 > 25 26 S 0.84981240659099 0.32088551796208 0.03145634184838 32.065 > 25 27 S 0.34981240659099 0.82088551796208 0.03145634184838 32.065 > 25 28 S 0.84981240659099 0.82088551796208 0.03145634184838 32.065 > 25 29 S 0.15018759340901 0.07088551796208 0.46854365815162 32.065 > 29 30 S 0.65018759340901 0.07088551796208 0.46854365815162 32.065 > 29 31 S 0.15018759340901 0.57088551796208 0.46854365815162 32.065 > 29 32 S 0.65018759340901 0.57088551796208 0.46854365815162 32.065 > 29 33 S 0.20377615686689 0.22136646565522 0.28965055331574 32.065 > 33 34 S 0.70377615686689 0.22136646565522 0.28965055331574 32.065 > 33 35 S 0.20377615686689 0.72136646565522 0.28965055331574 32.065 > 33 36 S 0.70377615686689 0.72136646565522 0.28965055331574 32.065 > 33 37 S 0.29622384313311 0.47136646565522 0.21034944668426 32.065 > 37 38 S 0.79622384313311 0.47136646565522 0.21034944668426 32.065 > 37 39 S 0.29622384313311 0.97136646565522 0.21034944668426 32.065 > 37 40 S 0.79622384313311 0.97136646565522 0.21034944668426 32.065 > 37 41 S 0.29622384313311 0.27863353434478 0.71034944668426 32.065 > 41 42 S 0.79622384313311 0.27863353434478 0.71034944668426 32.065 > 41 43 S 0.29622384313311 0.77863353434478 0.71034944668426 32.065 > 41 44 S 0.79622384313311 0.77863353434478 0.71034944668426 32.065 > 41 45 S 0.20377615686689 0.02863353434478 0.78965055331574 32.065 > 45 46 S 0.70377615686689 0.02863353434478 0.78965055331574 32.065 > 45 47 S 0.20377615686689 0.52863353434478 0.78965055331574 32.065 > 45 48 S 0.70377615686689 0.52863353434478 0.78965055331574 32.065 > 45 49 S 0.41198538713316 0.18904505232302 0.53236063750290 32.065 > 49 50 S 0.91198538713316 0.18904505232302 0.53236063750290 32.065 > 49 51 S 0.41198538713316 0.68904505232302 0.53236063750290 32.065 > 49 52 S 0.91198538713316 0.68904505232302 0.53236063750290 32.065 > 49 53 S 0.08801461286684 0.43904505232302 0.96763936249710 32.065 > 53 54 S 0.58801461286684 0.43904505232302 0.96763936249710 32.065 > 53 55 S 0.08801461286684 0.93904505232302 0.96763936249710 32.065 > 53 56 S 0.58801461286684 0.93904505232302 0.96763936249710 32.065 > 53 57 S 0.08801461286684 0.31095494767698 0.46763936249710 32.065 > 57 58 S 0.58801461286684 0.31095494767698 0.46763936249710 32.065 > 57 59 S 0.08801461286684 0.81095494767698 0.46763936249710 32.065 > 57 60 S 0.58801461286684 0.81095494767698 0.46763936249710 32.065 > 57 61 S 0.41198538713316 0.06095494767698 0.03236063750290 32.065 > 61 62 S 0.91198538713316 0.06095494767698 0.03236063750290 32.065 > 61 63 S 0.41198538713316 0.56095494767698 0.03236063750290 32.065 > 61 64 S 0.91198538713316 0.56095494767698 0.03236063750290 32.065 > 61 65 Sn 0.10300594405496 0.05897454050649 0.87833033861316 118.710 > 65 66 Sn 0.60300594405496 0.05897454050649 0.87833033861316 118.710 > 65 67 Sn 0.10300594405496 0.55897454050649 0.87833033861316 118.710 > 65 68 Sn 0.60300594405496 0.55897454050649 0.87833033861316 118.710 > 65 69 Sn 0.39699405594504 0.30897454050649 0.62166966138684 118.710 > 69 70 Sn 0.89699405594504 0.30897454050649 0.62166966138684 118.710 > 69 71 Sn 0.39699405594504 0.80897454050649 0.62166966138684 118.710 > 69 72 Sn 0.89699405594504 0.80897454050649 0.62166966138684 118.710 > 69 73 Sn 0.39699405594504 0.44102545949351 0.12166966138684 118.710 > 73 74 Sn 0.89699405594504 0.44102545949351 0.12166966138684 118.710 > 73 75 Sn 0.39699405594504 0.94102545949351 0.12166966138684 118.710 > 73 76 Sn 0.89699405594504 0.94102545949351 0.12166966138684 118.710 > 73 77 Sn 0.10300594405496 0.19102545949351 0.37833033861316 118.710 > 77 78 Sn 0.60300594405496 0.19102545949351 0.37833033861316 118.710 > 77 79 Sn 0.10300594405496 0.69102545949351 0.37833033861316 118.710 > 77 80 Sn 0.60300594405496 0.69102545949351 0.37833033861316 118.710 > 77 81 Tl 0.19963085090704 0.39782361379215 0.36196341053150 204.383 > 81 82 Tl 0.69963085090704 0.39782361379215 0.36196341053150 204.383 > 81 83 Tl 0.19963085090704 0.89782361379215 0.36196341053150 204.383 > 81 84 Tl 0.69963085090704 0.89782361379215 0.36196341053150 204.383 > 81 85 Tl 0.30036914909296 0.14782361379215 0.13803658946850 204.383 > 85 86 Tl 0.80036914909296 0.14782361379215 0.13803658946850 204.383 > 85 87 Tl 0.30036914909296 0.64782361379215 0.13803658946850 204.383 > 85 88 Tl 0.80036914909296 0.64782361379215 0.13803658946850 204.383 > 85 89 Tl 0.30036914909296 0.10217638620785 0.63803658946850 204.383 > 89 90 Tl 0.80036914909296 0.10217638620785 0.63803658946850 204.383 > 89 91 Tl 0.30036914909296 0.60217638620785 0.63803658946850 204.383 > 89 92 Tl 0.80036914909296 0.60217638620785 0.63803658946850 204.383 > 89 93 Tl 0.19963085090704 0.35217638620785 0.86196341053150 204.383 > 93 94 Tl 0.69963085090704 0.35217638620785 0.86196341053150 204.383 > 93 95 Tl 0.19963085090704 0.85217638620785 0.86196341053150 204.383 > 93 96 Tl 0.69963085090704 0.85217638620785 0.86196341053150 204.383 > 93 97 Tl 0.30591956134578 0.08523545375633 0.38676303552990 204.383 > 97 98 Tl 0.80591956134578 0.08523545375633 0.38676303552990 204.383 > 97 99 Tl 0.30591956134578 0.58523545375633 0.38676303552990 204.383 > 97 100 Tl 0.80591956134578 0.58523545375633 0.38676303552990 204.383 > 97 101 Tl 0.19408043865423 0.33523545375633 0.11323696447010 204.383 > 101 102 Tl 0.69408043865422 0.33523545375633 0.11323696447010 204.383 > 101 103 Tl 0.19408043865423 0.83523545375633 0.11323696447010 204.383 > 101 104 Tl 0.69408043865422 0.83523545375633 0.11323696447010 204.383 > 101 105 Tl 0.19408043865423 0.41476454624367 0.61323696447010 204.383 > 105 106 Tl 0.69408043865422 0.41476454624367 0.61323696447010 204.383 > 105 107 Tl 0.19408043865423 0.91476454624367 0.61323696447010 204.383 > 105 108 Tl 0.69408043865422 0.91476454624367 0.61323696447010 204.383 > 105 109 Tl 0.30591956134578 0.16476454624367 0.88676303552990 204.383 > 109 110 Tl 0.80591956134578 0.16476454624367 0.88676303552990 204.383 > 109 111 Tl 0.30591956134578 0.66476454624367 0.88676303552990 204.383 > 109 112 Tl 0.80591956134578 0.66476454624367 0.88676303552990 204.383 > 109 113 Tl 0.39889860986427 0.30003573583325 0.36771672679383 204.383 > 113 114 Tl 0.89889860986427 0.30003573583325 0.36771672679383 204.383 > 113 115 Tl 0.39889860986427 0.80003573583325 0.36771672679383 204.383 > 113 116 Tl 0.89889860986427 0.80003573583325 0.36771672679383 204.383 > 113 117 Tl 0.10110139013573 0.05003573583325 0.13228327320617 204.383 > 117 118 Tl 0.60110139013573 0.05003573583325 0.13228327320617 204.383 > 117 119 Tl 0.10110139013573 0.55003573583325 0.13228327320617 204.383 > 117 120 Tl 0.60110139013573 0.55003573583325 0.13228327320617 204.383 > 117 121 Tl 0.10110139013573 0.19996426416675 0.63228327320617 204.383 > 121 122 Tl 0.60110139013573 0.19996426416675 0.63228327320617 204.383 > 121 123 Tl 0.10110139013573 0.69996426416675 0.63228327320617 204.383 > 121 124 Tl 0.60110139013573 0.69996426416675 0.63228327320617 204.383 > 121 125 Tl 0.39889860986427 0.44996426416675 0.86771672679383 204.383 > 125 126 Tl 0.89889860986427 0.44996426416675 0.86771672679383 204.383 > 125 127 Tl 0.39889860986427 0.94996426416675 0.86771672679383 204.383 > 125 128 Tl 0.89889860986427 0.94996426416675 0.86771672679383 204.383 > 125 129 Tl 0.48662200547913 0.48771019635929 0.37695828967457 204.383 > 129 130 Tl 0.98662200547913 0.48771019635929 0.37695828967457 204.383 > 129 131 Tl 0.48662200547913 0.98771019635929 0.37695828967457 204.383 > 129 132 Tl 0.98662200547913 0.98771019635929 0.37695828967457 204.383 > 129 133 Tl 0.01337799452087 0.23771019635929 0.12304171032543 204.383 > 133 134 Tl 0.51337799452087 0.23771019635929 0.12304171032543 204.383 > 133 135 Tl 0.01337799452087 0.73771019635929 0.12304171032543 204.383 > 133 136 Tl 0.51337799452087 0.73771019635929 0.12304171032543 204.383 > 133 137 Tl 0.01337799452087 0.01228980364071 0.62304171032543 204.383 > 137 138 Tl 0.51337799452087 0.01228980364071 0.62304171032543 204.383 > 137 139 Tl 0.01337799452087 0.51228980364071 0.62304171032543 204.383 > 137 140 Tl 0.51337799452087 0.51228980364071 0.62304171032543 204.383 > 137 141 Tl 0.48662200547913 0.26228980364071 0.87695828967457 204.383 > 141 142 Tl 0.98662200547913 0.26228980364071 0.87695828967457 204.383 > 141 143 Tl 0.48662200547913 0.76228980364071 0.87695828967457 204.383 > 141 144 Tl 0.98662200547913 0.76228980364071 0.87695828967457 204.383 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.0350554 0.0000000 0.3586576 0.0000000 9.7934158 0.0000000 0.3586506 0.0000000 9.6924363 -------------------------- Born effective charges -------------------------- 1 S -2.9603948 0.3603322 -0.0802944 0.0395450 -3.0922791 -0.1977468 -0.0577308 0.0434221 -2.8634943 2 S -2.9603948 -0.3603322 -0.0802944 -0.0395450 -3.0922791 0.1977468 -0.0577308 -0.0434221 -2.8634943 3 S -2.9603948 0.3603322 -0.0802944 0.0395450 -3.0922791 -0.1977468 -0.0577308 0.0434221 -2.8634943 4 S -2.9603948 -0.3603322 -0.0802944 -0.0395450 -3.0922791 0.1977468 -0.0577308 -0.0434221 -2.8634943 5 S -3.2864474 -0.0078779 -0.4860688 0.0210751 -2.8031038 -0.0760674 -0.3937862 -0.3374147 -2.6982704 6 S -3.2864474 0.0078779 -0.4860688 -0.0210751 -2.8031038 0.0760674 -0.3937862 0.3374147 -2.6982704 7 S -3.2864474 -0.0078779 -0.4860688 0.0210751 -2.8031038 -0.0760674 -0.3937862 -0.3374147 -2.6982704 8 S -3.2864474 0.0078779 -0.4860688 -0.0210751 -2.8031038 0.0760674 -0.3937862 0.3374147 -2.6982704 9 S -3.0746962 0.0472255 0.2321126 0.2337354 -3.0743860 0.3778356 0.2256476 0.4181086 -2.2898149 10 S -3.0746962 -0.0472255 0.2321126 -0.2337354 -3.0743860 -0.3778356 0.2256476 -0.4181086 -2.2898149 11 S -3.0746962 0.0472255 0.2321126 0.2337354 -3.0743860 0.3778356 0.2256476 0.4181086 -2.2898149 12 S -3.0746962 -0.0472255 0.2321126 -0.2337354 -3.0743860 -0.3778356 0.2256476 -0.4181086 -2.2898149 13 S -2.4730258 -0.4715958 0.3805734 -0.3641924 -3.2817252 -0.1729269 0.3932010 -0.0961671 -2.7468022 14 S -2.4730258 0.4715958 0.3805734 0.3641924 -3.2817252 0.1729269 0.3932010 0.0961671 -2.7468022 15 S -2.4730258 -0.4715958 0.3805734 -0.3641924 -3.2817252 -0.1729269 0.3932010 -0.0961671 -2.7468022 16 S -2.4730258 0.4715958 0.3805734 0.3641924 -3.2817252 0.1729269 0.3932010 0.0961671 -2.7468022 17 Sn 3.3772981 0.0073332 -0.0464994 0.2879947 3.3708794 0.0795919 -0.1774423 0.0578060 2.6206959 18 Sn 3.3772981 -0.0073332 -0.0464994 -0.2879947 3.3708794 -0.0795919 -0.1774423 -0.0578060 2.6206959 19 Sn 3.3772981 0.0073332 -0.0464994 0.2879947 3.3708794 0.0795919 -0.1774423 0.0578060 2.6206959 20 Sn 3.3772981 -0.0073332 -0.0464994 -0.2879947 3.3708794 -0.0795919 -0.1774423 -0.0578060 2.6206959 21 Tl 2.2575320 0.2558499 0.0768726 0.2574136 2.1514281 0.2390677 0.0995124 0.1799790 2.1276839 22 Tl 2.2575320 -0.2558499 0.0768726 -0.2574136 2.1514281 -0.2390677 0.0995124 -0.1799790 2.1276839 23 Tl 2.2575320 0.2558499 0.0768726 0.2574136 2.1514281 0.2390677 0.0995124 0.1799790 2.1276839 24 Tl 2.2575320 -0.2558499 0.0768726 -0.2574136 2.1514281 -0.2390677 0.0995124 -0.1799790 2.1276839 25 Tl 2.1022969 -0.2451462 -0.1619959 -0.2485693 2.2597283 0.0667089 -0.0236796 0.1688840 1.9876313 26 Tl 2.1022969 0.2451462 -0.1619959 0.2485693 2.2597283 -0.0667089 -0.0236796 -0.1688840 1.9876313 27 Tl 2.1022969 -0.2451462 -0.1619959 -0.2485693 2.2597283 0.0667089 -0.0236796 0.1688840 1.9876313 28 Tl 2.1022969 0.2451462 -0.1619959 0.2485693 2.2597283 -0.0667089 -0.0236796 -0.1688840 1.9876313 29 Tl 2.1338512 -0.1844105 -0.1009755 -0.1177226 2.0450751 -0.0219354 -0.1173976 -0.0995104 1.9033849 30 Tl 2.1338512 0.1844105 -0.1009755 0.1177226 2.0450751 0.0219354 -0.1173976 0.0995104 1.9033849 31 Tl 2.1338512 -0.1844105 -0.1009755 -0.1177226 2.0450751 -0.0219354 -0.1173976 -0.0995104 1.9033849 32 Tl 2.1338512 0.1844105 -0.1009755 0.1177226 2.0450751 0.0219354 -0.1173976 0.0995104 1.9033849 33 Tl 1.9235861 0.2542226 0.1862755 0.1425359 2.4243832 0.0876590 0.0516754 0.1279098 1.9589858 34 Tl 1.9235861 -0.2542226 0.1862755 -0.1425359 2.4243832 -0.0876590 0.0516754 -0.1279098 1.9589858 35 Tl 1.9235861 0.2542226 0.1862755 0.1425359 2.4243832 0.0876590 0.0516754 0.1279098 1.9589858 36 Tl 1.9235861 -0.2542226 0.1862755 -0.1425359 2.4243832 -0.0876590 0.0516754 -0.1279098 1.9589858 ---------------------------------------------------------------------------- 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 113, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Computing fc3[ 129, 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] [-0.0023 0.0000 0.0097] [ 0.0023 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:06:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:06:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.170725201258366 0.000000000000000 0.000000000000000 b 0.000000000000000 8.101635899999998 0.000000000000000 c -3.542667432008753 0.000000000000000 14.769898407723909 Atomic positions (fractional): 1 S 0.06472810826597 0.81131257733040 0.21758776860733 32.065 2 S 0.93527189173403 0.31131257733040 0.28241223139267 32.065 3 S 0.93527189173403 0.18868742266960 0.78241223139267 32.065 4 S 0.06472810826597 0.68868742266960 0.71758776860733 32.065 5 S 0.30037518681802 0.35822896407584 0.96854365815162 32.065 6 S 0.69962481318198 0.85822896407585 0.53145634184838 32.065 7 S 0.69962481318198 0.64177103592415 0.03145634184838 32.065 8 S 0.30037518681802 0.14177103592415 0.46854365815162 32.065 9 S 0.40755231373379 0.44273293131043 0.28965055331574 32.065 10 S 0.59244768626621 0.94273293131043 0.21034944668426 32.065 11 S 0.59244768626621 0.55726706868957 0.71034944668426 32.065 12 S 0.40755231373379 0.05726706868957 0.78965055331574 32.065 13 S 0.82397077426632 0.37809010464604 0.53236063750290 32.065 14 S 0.17602922573368 0.87809010464604 0.96763936249710 32.065 15 S 0.17602922573368 0.62190989535396 0.46763936249710 32.065 16 S 0.82397077426632 0.12190989535396 0.03236063750290 32.065 17 Sn 0.20601188810992 0.11794908101298 0.87833033861316 118.710 18 Sn 0.79398811189008 0.61794908101298 0.62166966138684 118.710 19 Sn 0.79398811189008 0.88205091898702 0.12166966138684 118.710 20 Sn 0.20601188810992 0.38205091898702 0.37833033861316 118.710 21 Tl 0.39926170181408 0.79564722758430 0.36196341053150 204.383 22 Tl 0.60073829818592 0.29564722758431 0.13803658946850 204.383 23 Tl 0.60073829818592 0.20435277241569 0.63803658946850 204.383 24 Tl 0.39926170181408 0.70435277241570 0.86196341053150 204.383 25 Tl 0.61183912269155 0.17047090751266 0.38676303552990 204.383 26 Tl 0.38816087730845 0.67047090751266 0.11323696447010 204.383 27 Tl 0.38816087730845 0.82952909248734 0.61323696447010 204.383 28 Tl 0.61183912269155 0.32952909248734 0.88676303552990 204.383 29 Tl 0.79779721972854 0.60007147166651 0.36771672679383 204.383 30 Tl 0.20220278027146 0.10007147166651 0.13228327320617 204.383 31 Tl 0.20220278027146 0.39992852833349 0.63228327320617 204.383 32 Tl 0.79779721972854 0.89992852833349 0.86771672679383 204.383 33 Tl 0.97324401095827 0.97542039271858 0.37695828967457 204.383 34 Tl 0.02675598904173 0.47542039271858 0.12304171032543 204.383 35 Tl 0.02675598904173 0.02457960728142 0.62304171032543 204.383 36 Tl 0.97324401095827 0.52457960728142 0.87695828967457 204.383 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.341450402516731 0.000000000000000 0.000000000000000 b 0.000000000000000 16.203271799999996 0.000000000000000 c -3.542667432008753 0.000000000000000 14.769898407723909 Atomic positions (fractional): 1 S 0.03236405413299 0.40565628866520 0.21758776860733 32.065 > 1 2 S 0.53236405413299 0.40565628866520 0.21758776860733 32.065 > 1 3 S 0.03236405413299 0.90565628866520 0.21758776860733 32.065 > 1 4 S 0.53236405413299 0.90565628866520 0.21758776860733 32.065 > 1 5 S 0.46763594586701 0.15565628866520 0.28241223139267 32.065 > 5 6 S 0.96763594586701 0.15565628866520 0.28241223139267 32.065 > 5 7 S 0.46763594586701 0.65565628866520 0.28241223139267 32.065 > 5 8 S 0.96763594586701 0.65565628866520 0.28241223139267 32.065 > 5 9 S 0.46763594586701 0.09434371133480 0.78241223139267 32.065 > 9 10 S 0.96763594586701 0.09434371133480 0.78241223139267 32.065 > 9 11 S 0.46763594586701 0.59434371133480 0.78241223139267 32.065 > 9 12 S 0.96763594586701 0.59434371133480 0.78241223139267 32.065 > 9 13 S 0.03236405413299 0.34434371133480 0.71758776860733 32.065 > 13 14 S 0.53236405413299 0.34434371133480 0.71758776860733 32.065 > 13 15 S 0.03236405413299 0.84434371133480 0.71758776860733 32.065 > 13 16 S 0.53236405413299 0.84434371133480 0.71758776860733 32.065 > 13 17 S 0.15018759340901 0.17911448203792 0.96854365815162 32.065 > 17 18 S 0.65018759340901 0.17911448203792 0.96854365815162 32.065 > 17 19 S 0.15018759340901 0.67911448203792 0.96854365815162 32.065 > 17 20 S 0.65018759340901 0.67911448203792 0.96854365815162 32.065 > 17 21 S 0.34981240659099 0.42911448203792 0.53145634184838 32.065 > 21 22 S 0.84981240659099 0.42911448203792 0.53145634184838 32.065 > 21 23 S 0.34981240659099 0.92911448203792 0.53145634184838 32.065 > 21 24 S 0.84981240659099 0.92911448203792 0.53145634184838 32.065 > 21 25 S 0.34981240659099 0.32088551796208 0.03145634184838 32.065 > 25 26 S 0.84981240659099 0.32088551796208 0.03145634184838 32.065 > 25 27 S 0.34981240659099 0.82088551796208 0.03145634184838 32.065 > 25 28 S 0.84981240659099 0.82088551796208 0.03145634184838 32.065 > 25 29 S 0.15018759340901 0.07088551796208 0.46854365815162 32.065 > 29 30 S 0.65018759340901 0.07088551796208 0.46854365815162 32.065 > 29 31 S 0.15018759340901 0.57088551796208 0.46854365815162 32.065 > 29 32 S 0.65018759340901 0.57088551796208 0.46854365815162 32.065 > 29 33 S 0.20377615686689 0.22136646565522 0.28965055331574 32.065 > 33 34 S 0.70377615686689 0.22136646565522 0.28965055331574 32.065 > 33 35 S 0.20377615686689 0.72136646565522 0.28965055331574 32.065 > 33 36 S 0.70377615686689 0.72136646565522 0.28965055331574 32.065 > 33 37 S 0.29622384313311 0.47136646565522 0.21034944668426 32.065 > 37 38 S 0.79622384313311 0.47136646565522 0.21034944668426 32.065 > 37 39 S 0.29622384313311 0.97136646565522 0.21034944668426 32.065 > 37 40 S 0.79622384313311 0.97136646565522 0.21034944668426 32.065 > 37 41 S 0.29622384313311 0.27863353434478 0.71034944668426 32.065 > 41 42 S 0.79622384313311 0.27863353434478 0.71034944668426 32.065 > 41 43 S 0.29622384313311 0.77863353434478 0.71034944668426 32.065 > 41 44 S 0.79622384313311 0.77863353434478 0.71034944668426 32.065 > 41 45 S 0.20377615686689 0.02863353434478 0.78965055331574 32.065 > 45 46 S 0.70377615686689 0.02863353434478 0.78965055331574 32.065 > 45 47 S 0.20377615686689 0.52863353434478 0.78965055331574 32.065 > 45 48 S 0.70377615686689 0.52863353434478 0.78965055331574 32.065 > 45 49 S 0.41198538713316 0.18904505232302 0.53236063750290 32.065 > 49 50 S 0.91198538713316 0.18904505232302 0.53236063750290 32.065 > 49 51 S 0.41198538713316 0.68904505232302 0.53236063750290 32.065 > 49 52 S 0.91198538713316 0.68904505232302 0.53236063750290 32.065 > 49 53 S 0.08801461286684 0.43904505232302 0.96763936249710 32.065 > 53 54 S 0.58801461286684 0.43904505232302 0.96763936249710 32.065 > 53 55 S 0.08801461286684 0.93904505232302 0.96763936249710 32.065 > 53 56 S 0.58801461286684 0.93904505232302 0.96763936249710 32.065 > 53 57 S 0.08801461286684 0.31095494767698 0.46763936249710 32.065 > 57 58 S 0.58801461286684 0.31095494767698 0.46763936249710 32.065 > 57 59 S 0.08801461286684 0.81095494767698 0.46763936249710 32.065 > 57 60 S 0.58801461286684 0.81095494767698 0.46763936249710 32.065 > 57 61 S 0.41198538713316 0.06095494767698 0.03236063750290 32.065 > 61 62 S 0.91198538713316 0.06095494767698 0.03236063750290 32.065 > 61 63 S 0.41198538713316 0.56095494767698 0.03236063750290 32.065 > 61 64 S 0.91198538713316 0.56095494767698 0.03236063750290 32.065 > 61 65 Sn 0.10300594405496 0.05897454050649 0.87833033861316 118.710 > 65 66 Sn 0.60300594405496 0.05897454050649 0.87833033861316 118.710 > 65 67 Sn 0.10300594405496 0.55897454050649 0.87833033861316 118.710 > 65 68 Sn 0.60300594405496 0.55897454050649 0.87833033861316 118.710 > 65 69 Sn 0.39699405594504 0.30897454050649 0.62166966138684 118.710 > 69 70 Sn 0.89699405594504 0.30897454050649 0.62166966138684 118.710 > 69 71 Sn 0.39699405594504 0.80897454050649 0.62166966138684 118.710 > 69 72 Sn 0.89699405594504 0.80897454050649 0.62166966138684 118.710 > 69 73 Sn 0.39699405594504 0.44102545949351 0.12166966138684 118.710 > 73 74 Sn 0.89699405594504 0.44102545949351 0.12166966138684 118.710 > 73 75 Sn 0.39699405594504 0.94102545949351 0.12166966138684 118.710 > 73 76 Sn 0.89699405594504 0.94102545949351 0.12166966138684 118.710 > 73 77 Sn 0.10300594405496 0.19102545949351 0.37833033861316 118.710 > 77 78 Sn 0.60300594405496 0.19102545949351 0.37833033861316 118.710 > 77 79 Sn 0.10300594405496 0.69102545949351 0.37833033861316 118.710 > 77 80 Sn 0.60300594405496 0.69102545949351 0.37833033861316 118.710 > 77 81 Tl 0.19963085090704 0.39782361379215 0.36196341053150 204.383 > 81 82 Tl 0.69963085090704 0.39782361379215 0.36196341053150 204.383 > 81 83 Tl 0.19963085090704 0.89782361379215 0.36196341053150 204.383 > 81 84 Tl 0.69963085090704 0.89782361379215 0.36196341053150 204.383 > 81 85 Tl 0.30036914909296 0.14782361379215 0.13803658946850 204.383 > 85 86 Tl 0.80036914909296 0.14782361379215 0.13803658946850 204.383 > 85 87 Tl 0.30036914909296 0.64782361379215 0.13803658946850 204.383 > 85 88 Tl 0.80036914909296 0.64782361379215 0.13803658946850 204.383 > 85 89 Tl 0.30036914909296 0.10217638620785 0.63803658946850 204.383 > 89 90 Tl 0.80036914909296 0.10217638620785 0.63803658946850 204.383 > 89 91 Tl 0.30036914909296 0.60217638620785 0.63803658946850 204.383 > 89 92 Tl 0.80036914909296 0.60217638620785 0.63803658946850 204.383 > 89 93 Tl 0.19963085090704 0.35217638620785 0.86196341053150 204.383 > 93 94 Tl 0.69963085090704 0.35217638620785 0.86196341053150 204.383 > 93 95 Tl 0.19963085090704 0.85217638620785 0.86196341053150 204.383 > 93 96 Tl 0.69963085090704 0.85217638620785 0.86196341053150 204.383 > 93 97 Tl 0.30591956134578 0.08523545375633 0.38676303552990 204.383 > 97 98 Tl 0.80591956134578 0.08523545375633 0.38676303552990 204.383 > 97 99 Tl 0.30591956134578 0.58523545375633 0.38676303552990 204.383 > 97 100 Tl 0.80591956134578 0.58523545375633 0.38676303552990 204.383 > 97 101 Tl 0.19408043865423 0.33523545375633 0.11323696447010 204.383 > 101 102 Tl 0.69408043865422 0.33523545375633 0.11323696447010 204.383 > 101 103 Tl 0.19408043865423 0.83523545375633 0.11323696447010 204.383 > 101 104 Tl 0.69408043865422 0.83523545375633 0.11323696447010 204.383 > 101 105 Tl 0.19408043865423 0.41476454624367 0.61323696447010 204.383 > 105 106 Tl 0.69408043865422 0.41476454624367 0.61323696447010 204.383 > 105 107 Tl 0.19408043865423 0.91476454624367 0.61323696447010 204.383 > 105 108 Tl 0.69408043865422 0.91476454624367 0.61323696447010 204.383 > 105 109 Tl 0.30591956134578 0.16476454624367 0.88676303552990 204.383 > 109 110 Tl 0.80591956134578 0.16476454624367 0.88676303552990 204.383 > 109 111 Tl 0.30591956134578 0.66476454624367 0.88676303552990 204.383 > 109 112 Tl 0.80591956134578 0.66476454624367 0.88676303552990 204.383 > 109 113 Tl 0.39889860986427 0.30003573583325 0.36771672679383 204.383 > 113 114 Tl 0.89889860986427 0.30003573583325 0.36771672679383 204.383 > 113 115 Tl 0.39889860986427 0.80003573583325 0.36771672679383 204.383 > 113 116 Tl 0.89889860986427 0.80003573583325 0.36771672679383 204.383 > 113 117 Tl 0.10110139013573 0.05003573583325 0.13228327320617 204.383 > 117 118 Tl 0.60110139013573 0.05003573583325 0.13228327320617 204.383 > 117 119 Tl 0.10110139013573 0.55003573583325 0.13228327320617 204.383 > 117 120 Tl 0.60110139013573 0.55003573583325 0.13228327320617 204.383 > 117 121 Tl 0.10110139013573 0.19996426416675 0.63228327320617 204.383 > 121 122 Tl 0.60110139013573 0.19996426416675 0.63228327320617 204.383 > 121 123 Tl 0.10110139013573 0.69996426416675 0.63228327320617 204.383 > 121 124 Tl 0.60110139013573 0.69996426416675 0.63228327320617 204.383 > 121 125 Tl 0.39889860986427 0.44996426416675 0.86771672679383 204.383 > 125 126 Tl 0.89889860986427 0.44996426416675 0.86771672679383 204.383 > 125 127 Tl 0.39889860986427 0.94996426416675 0.86771672679383 204.383 > 125 128 Tl 0.89889860986427 0.94996426416675 0.86771672679383 204.383 > 125 129 Tl 0.48662200547913 0.48771019635929 0.37695828967457 204.383 > 129 130 Tl 0.98662200547913 0.48771019635929 0.37695828967457 204.383 > 129 131 Tl 0.48662200547913 0.98771019635929 0.37695828967457 204.383 > 129 132 Tl 0.98662200547913 0.98771019635929 0.37695828967457 204.383 > 129 133 Tl 0.01337799452087 0.23771019635929 0.12304171032543 204.383 > 133 134 Tl 0.51337799452087 0.23771019635929 0.12304171032543 204.383 > 133 135 Tl 0.01337799452087 0.73771019635929 0.12304171032543 204.383 > 133 136 Tl 0.51337799452087 0.73771019635929 0.12304171032543 204.383 > 133 137 Tl 0.01337799452087 0.01228980364071 0.62304171032543 204.383 > 137 138 Tl 0.51337799452087 0.01228980364071 0.62304171032543 204.383 > 137 139 Tl 0.01337799452087 0.51228980364071 0.62304171032543 204.383 > 137 140 Tl 0.51337799452087 0.51228980364071 0.62304171032543 204.383 > 137 141 Tl 0.48662200547913 0.26228980364071 0.87695828967457 204.383 > 141 142 Tl 0.98662200547913 0.26228980364071 0.87695828967457 204.383 > 141 143 Tl 0.48662200547913 0.76228980364071 0.87695828967457 204.383 > 141 144 Tl 0.98662200547913 0.76228980364071 0.87695828967457 204.383 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.0350554 0.0000000 0.3586576 0.0000000 9.7934158 0.0000000 0.3586506 0.0000000 9.6924363 -------------------------- Born effective charges -------------------------- 1 S -2.9603948 0.3603322 -0.0802944 0.0395450 -3.0922791 -0.1977468 -0.0577308 0.0434221 -2.8634943 2 S -2.9603948 -0.3603322 -0.0802944 -0.0395450 -3.0922791 0.1977468 -0.0577308 -0.0434221 -2.8634943 3 S -2.9603948 0.3603322 -0.0802944 0.0395450 -3.0922791 -0.1977468 -0.0577308 0.0434221 -2.8634943 4 S -2.9603948 -0.3603322 -0.0802944 -0.0395450 -3.0922791 0.1977468 -0.0577308 -0.0434221 -2.8634943 5 S -3.2864474 -0.0078779 -0.4860688 0.0210751 -2.8031038 -0.0760674 -0.3937862 -0.3374147 -2.6982704 6 S -3.2864474 0.0078779 -0.4860688 -0.0210751 -2.8031038 0.0760674 -0.3937862 0.3374147 -2.6982704 7 S -3.2864474 -0.0078779 -0.4860688 0.0210751 -2.8031038 -0.0760674 -0.3937862 -0.3374147 -2.6982704 8 S -3.2864474 0.0078779 -0.4860688 -0.0210751 -2.8031038 0.0760674 -0.3937862 0.3374147 -2.6982704 9 S -3.0746962 0.0472255 0.2321126 0.2337354 -3.0743860 0.3778356 0.2256476 0.4181086 -2.2898149 10 S -3.0746962 -0.0472255 0.2321126 -0.2337354 -3.0743860 -0.3778356 0.2256476 -0.4181086 -2.2898149 11 S -3.0746962 0.0472255 0.2321126 0.2337354 -3.0743860 0.3778356 0.2256476 0.4181086 -2.2898149 12 S -3.0746962 -0.0472255 0.2321126 -0.2337354 -3.0743860 -0.3778356 0.2256476 -0.4181086 -2.2898149 13 S -2.4730258 -0.4715958 0.3805734 -0.3641924 -3.2817252 -0.1729269 0.3932010 -0.0961671 -2.7468022 14 S -2.4730258 0.4715958 0.3805734 0.3641924 -3.2817252 0.1729269 0.3932010 0.0961671 -2.7468022 15 S -2.4730258 -0.4715958 0.3805734 -0.3641924 -3.2817252 -0.1729269 0.3932010 -0.0961671 -2.7468022 16 S -2.4730258 0.4715958 0.3805734 0.3641924 -3.2817252 0.1729269 0.3932010 0.0961671 -2.7468022 17 Sn 3.3772981 0.0073332 -0.0464994 0.2879947 3.3708794 0.0795919 -0.1774423 0.0578060 2.6206959 18 Sn 3.3772981 -0.0073332 -0.0464994 -0.2879947 3.3708794 -0.0795919 -0.1774423 -0.0578060 2.6206959 19 Sn 3.3772981 0.0073332 -0.0464994 0.2879947 3.3708794 0.0795919 -0.1774423 0.0578060 2.6206959 20 Sn 3.3772981 -0.0073332 -0.0464994 -0.2879947 3.3708794 -0.0795919 -0.1774423 -0.0578060 2.6206959 21 Tl 2.2575320 0.2558499 0.0768726 0.2574136 2.1514281 0.2390677 0.0995124 0.1799790 2.1276839 22 Tl 2.2575320 -0.2558499 0.0768726 -0.2574136 2.1514281 -0.2390677 0.0995124 -0.1799790 2.1276839 23 Tl 2.2575320 0.2558499 0.0768726 0.2574136 2.1514281 0.2390677 0.0995124 0.1799790 2.1276839 24 Tl 2.2575320 -0.2558499 0.0768726 -0.2574136 2.1514281 -0.2390677 0.0995124 -0.1799790 2.1276839 25 Tl 2.1022969 -0.2451462 -0.1619959 -0.2485693 2.2597283 0.0667089 -0.0236796 0.1688840 1.9876313 26 Tl 2.1022969 0.2451462 -0.1619959 0.2485693 2.2597283 -0.0667089 -0.0236796 -0.1688840 1.9876313 27 Tl 2.1022969 -0.2451462 -0.1619959 -0.2485693 2.2597283 0.0667089 -0.0236796 0.1688840 1.9876313 28 Tl 2.1022969 0.2451462 -0.1619959 0.2485693 2.2597283 -0.0667089 -0.0236796 -0.1688840 1.9876313 29 Tl 2.1338512 -0.1844105 -0.1009755 -0.1177226 2.0450751 -0.0219354 -0.1173976 -0.0995104 1.9033849 30 Tl 2.1338512 0.1844105 -0.1009755 0.1177226 2.0450751 0.0219354 -0.1173976 0.0995104 1.9033849 31 Tl 2.1338512 -0.1844105 -0.1009755 -0.1177226 2.0450751 -0.0219354 -0.1173976 -0.0995104 1.9033849 32 Tl 2.1338512 0.1844105 -0.1009755 0.1177226 2.0450751 0.0219354 -0.1173976 0.0995104 1.9033849 33 Tl 1.9235861 0.2542226 0.1862755 0.1425359 2.4243832 0.0876590 0.0516754 0.1279098 1.9589858 34 Tl 1.9235861 -0.2542226 0.1862755 -0.1425359 2.4243832 -0.0876590 0.0516754 -0.1279098 1.9589858 35 Tl 1.9235861 0.2542226 0.1862755 0.1425359 2.4243832 0.0876590 0.0516754 0.1279098 1.9589858 36 Tl 1.9235861 -0.2542226 0.1862755 -0.1425359 2.4243832 -0.0876590 0.0516754 -0.1279098 1.9589858 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 307, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.503 ( 0.000 0.000 0.000) 0.000 0.532 ( 0.000 0.000 0.000) 0.000 0.612 ( 0.000 0.000 0.000) 0.000 0.625 ( 0.000 0.000 0.000) 0.000 0.765 ( 0.000 0.000 0.000) 0.000 0.775 ( 0.000 0.000 0.000) 0.000 0.780 ( 0.000 0.000 0.000) 0.000 0.813 ( 0.000 0.000 0.000) 0.000 0.853 ( 0.000 0.000 0.000) 0.000 0.932 ( 0.000 0.000 0.000) 0.000 0.971 ( 0.000 0.000 0.000) 0.000 0.973 ( 0.000 0.000 0.000) 0.000 1.004 ( 0.000 0.000 0.000) 0.000 1.014 ( 0.000 0.000 0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.091 ( 0.000 0.000 0.000) 0.000 1.095 ( 0.000 0.000 0.000) 0.000 1.097 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.240 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.282 ( 0.000 0.000 0.000) 0.000 1.294 ( 0.000 0.000 0.000) 0.000 1.353 ( 0.000 0.000 0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.446 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 0.000) 0.000 1.505 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.741 ( 0.000 0.000 0.000) 0.000 1.851 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.300 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.496 ( 0.000 0.000 0.000) 0.000 2.512 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.255 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.547 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.876 ( 0.000 0.000 0.000) 0.000 3.988 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.284 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.351 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.641 ( 0.000 0.000 0.000) 0.000 4.657 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.055 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.579 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.216 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.253 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.357 ( 0.000 0.000 0.000) 0.000 9.404 ( 0.000 0.000 0.000) 0.000 9.427 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.497 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 9.634 ( 0.000 0.000 0.000) 0.000 9.672 ( 0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 9.724 ( 0.000 0.000 0.000) 0.000 9.766 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 11.188 0.000 -0.093) 11.188 0.258 ( 11.193 0.000 3.827) 11.830 0.492 ( 18.678 0.000 9.046) 20.753 0.549 ( 2.283 0.000 2.114) 3.111 0.554 ( 2.762 0.000 -2.291) 3.588 0.652 ( 2.753 0.000 1.603) 3.185 0.675 ( 4.475 0.000 -2.379) 5.068 0.720 ( -3.391 0.000 -2.722) 4.349 0.754 ( -1.043 0.000 -0.167) 1.056 0.825 ( 0.234 0.000 -0.145) 0.276 0.835 ( 0.040 0.000 -0.346) 0.349 0.874 ( -7.004 0.000 0.177) 7.006 0.874 ( 2.740 0.000 0.185) 2.746 0.910 ( -3.272 0.000 -0.639) 3.333 0.927 ( -3.916 0.000 -0.079) 3.917 0.987 ( -3.133 0.000 0.241) 3.142 1.003 ( -1.126 0.000 -1.700) 2.039 1.019 ( -1.603 0.000 0.097) 1.606 1.040 ( -3.976 0.000 -0.235) 3.983 1.077 ( -3.898 0.000 -2.757) 4.775 1.077 ( -1.238 0.000 0.269) 1.267 1.092 ( -0.738 0.000 0.343) 0.814 1.116 ( 0.819 0.000 -1.520) 1.726 1.118 ( -5.514 0.000 1.109) 5.624 1.192 ( -2.276 0.000 -1.507) 2.730 1.238 ( -1.334 0.000 0.836) 1.575 1.268 ( 0.191 0.000 2.250) 2.258 1.294 ( 0.299 0.000 -0.422) 0.517 1.327 ( 0.939 0.000 -2.309) 2.493 1.361 ( 2.130 0.000 -2.691) 3.432 1.385 ( 2.114 0.000 -0.446) 2.161 1.413 ( 5.563 0.000 0.090) 5.563 1.428 ( -1.297 0.000 1.234) 1.790 1.444 ( -0.975 0.000 2.636) 2.810 1.457 ( 2.090 0.000 -1.046) 2.337 1.464 ( 2.916 0.000 0.506) 2.959 1.493 ( 2.516 0.000 2.121) 3.291 1.532 ( 2.134 0.000 -0.622) 2.223 1.607 ( -0.466 0.000 1.107) 1.201 1.613 ( -0.875 0.000 -1.424) 1.672 1.643 ( -0.245 0.000 -0.121) 0.273 1.672 ( -2.164 0.000 1.663) 2.729 1.733 ( -1.554 0.000 -0.938) 1.815 1.769 ( -0.691 0.000 1.627) 1.768 1.850 ( -1.578 0.000 -2.165) 2.679 1.866 ( 1.294 0.000 -0.133) 1.300 1.874 ( 0.241 0.000 0.432) 0.494 1.919 ( -0.969 0.000 0.896) 1.320 2.176 ( -2.520 0.000 -2.526) 3.568 2.252 ( 0.758 0.000 -0.155) 0.773 2.318 ( 1.018 0.000 0.085) 1.022 2.334 ( 0.969 0.000 2.184) 2.390 2.427 ( 0.078 0.000 0.254) 0.266 2.440 ( 0.459 0.000 -0.233) 0.515 2.509 ( 1.072 0.000 2.110) 2.366 2.567 ( 4.036 0.000 -0.396) 4.055 2.571 ( 1.386 0.000 -1.481) 2.028 2.602 ( 1.609 0.000 -0.979) 1.883 2.660 ( 1.178 0.000 -1.669) 2.043 2.839 ( -1.303 0.000 -2.723) 3.018 3.095 ( -2.131 0.000 -0.277) 2.149 3.149 ( 0.984 0.000 -0.526) 1.116 3.174 ( -6.780 0.000 -1.100) 6.869 3.231 ( -2.503 0.000 2.591) 3.603 3.260 ( -4.859 0.000 -0.524) 4.887 3.461 ( -6.681 0.000 2.664) 7.193 3.525 ( 1.681 0.000 -2.914) 3.364 3.561 ( -2.394 0.000 -1.568) 2.862 3.758 ( 0.201 0.000 0.735) 0.762 3.831 ( -2.267 0.000 -1.729) 2.851 3.891 ( 0.703 0.000 2.270) 2.377 3.974 ( -1.138 0.000 -0.653) 1.312 4.152 ( -0.561 0.000 1.049) 1.189 4.185 ( -1.531 0.000 0.132) 1.536 4.270 ( -0.453 0.000 -0.207) 0.498 4.335 ( -0.741 0.000 0.080) 0.745 4.369 ( 0.722 0.000 0.001) 0.722 4.417 ( -0.915 0.000 -2.883) 3.025 4.567 ( 2.461 0.000 3.605) 4.364 4.583 ( -3.004 0.000 -0.833) 3.117 4.652 ( -0.167 0.000 1.150) 1.162 4.692 ( -1.259 0.000 -2.308) 2.629 4.725 ( -7.567 0.000 -0.624) 7.593 4.774 ( 2.107 0.000 -0.015) 2.107 4.818 ( -0.355 0.000 1.541) 1.582 5.011 ( 4.421 0.000 -7.516) 8.720 5.068 ( -0.445 0.000 2.248) 2.291 5.139 ( 4.400 0.000 -1.317) 4.593 5.283 ( 3.263 0.000 4.444) 5.514 5.342 ( 2.242 0.000 -2.794) 3.582 5.623 ( 3.805 0.000 -0.383) 3.825 5.654 ( -1.730 0.000 -4.063) 4.417 9.220 ( 0.107 0.000 1.292) 1.297 9.223 ( 1.138 0.000 -0.041) 1.139 9.245 ( 0.052 0.000 -1.365) 1.366 9.260 ( 0.349 0.000 0.874) 0.941 9.306 ( 1.171 0.000 2.407) 2.677 9.368 ( 0.007 0.000 -0.554) 0.554 9.411 ( 0.120 0.000 1.222) 1.228 9.426 ( -1.455 0.000 -1.528) 2.110 9.517 ( 1.398 0.000 0.831) 1.626 9.565 ( 0.958 0.000 -2.890) 3.045 9.649 ( 0.639 0.000 0.535) 0.833 9.650 ( 0.451 0.000 2.469) 2.510 9.676 ( -1.934 0.000 2.000) 2.782 9.718 ( -0.402 0.000 -1.422) 1.477 9.765 ( 0.162 0.000 -1.383) 1.392 9.899 ( -0.550 0.000 -2.746) 2.801 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 7.047 0.000 1.320) 7.169 0.486 ( 9.211 0.000 3.310) 9.788 0.534 ( -5.383 0.000 2.405) 5.896 0.583 ( -1.039 0.000 -4.199) 4.326 0.630 ( -2.025 0.000 0.583) 2.107 0.654 ( 0.711 0.000 -0.243) 0.751 0.710 ( -1.655 0.000 -1.780) 2.431 0.727 ( 0.903 0.000 -4.066) 4.165 0.748 ( -1.040 0.000 -0.875) 1.360 0.784 ( 1.197 0.000 -2.758) 3.007 0.818 ( -3.062 0.000 0.756) 3.154 0.822 ( 0.389 0.000 0.550) 0.674 0.883 ( -3.786 0.000 1.608) 4.113 0.884 ( -0.208 0.000 -0.022) 0.210 0.913 ( -3.631 0.000 0.177) 3.635 0.961 ( 0.510 0.000 0.455) 0.683 0.988 ( -1.529 0.000 -0.899) 1.774 0.998 ( 0.211 0.000 1.661) 1.674 1.003 ( 3.008 0.000 -1.350) 3.297 1.025 ( -0.863 0.000 -1.057) 1.364 1.028 ( 8.051 0.000 3.701) 8.861 1.082 ( 0.599 0.000 0.271) 0.657 1.091 ( -0.855 0.000 1.559) 1.778 1.124 ( -1.562 0.000 -2.459) 2.913 1.153 ( 1.803 0.000 -0.358) 1.838 1.217 ( -1.346 0.000 -0.481) 1.430 1.280 ( -0.262 0.000 0.879) 0.917 1.293 ( -0.918 0.000 0.625) 1.110 1.328 ( -0.647 0.000 -0.361) 0.740 1.342 ( -0.845 0.000 -3.238) 3.346 1.387 ( -1.766 0.000 0.941) 2.001 1.409 ( -1.049 0.000 -0.321) 1.097 1.412 ( -0.991 0.000 -0.736) 1.234 1.419 ( -0.584 0.000 0.954) 1.119 1.506 ( -2.004 0.000 -0.759) 2.143 1.512 ( 0.657 0.000 0.513) 0.834 1.559 ( -2.748 0.000 -0.415) 2.779 1.566 ( 0.979 0.000 -0.805) 1.268 1.579 ( 4.904 0.000 0.181) 4.908 1.623 ( 1.059 0.000 1.939) 2.209 1.653 ( 0.085 0.000 0.305) 0.317 1.662 ( 0.917 0.000 0.594) 1.092 1.689 ( -1.088 0.000 -0.089) 1.091 1.760 ( -0.334 0.000 0.747) 0.818 1.828 ( -0.513 0.000 -0.684) 0.855 1.862 ( -1.055 0.000 -0.008) 1.055 1.884 ( -0.287 0.000 0.291) 0.409 1.905 ( -0.319 0.000 0.808) 0.869 2.137 ( -0.448 0.000 -1.183) 1.265 2.290 ( 2.538 0.000 0.791) 2.659 2.337 ( 0.791 0.000 -0.099) 0.797 2.349 ( -0.391 0.000 1.337) 1.393 2.440 ( 1.297 0.000 -0.404) 1.358 2.445 ( -0.187 0.000 -0.530) 0.562 2.536 ( -0.052 0.000 2.291) 2.292 2.560 ( -0.234 0.000 -1.552) 1.570 2.620 ( 1.769 0.000 -1.239) 2.160 2.672 ( 3.655 0.000 -0.165) 3.659 2.700 ( 2.607 0.000 -0.468) 2.648 2.785 ( -2.752 0.000 -1.186) 2.997 3.018 ( -6.655 0.000 -0.867) 6.711 3.041 ( -2.775 0.000 -0.407) 2.805 3.123 ( -3.802 0.000 0.178) 3.806 3.182 ( -0.583 0.000 -2.437) 2.505 3.205 ( -1.405 0.000 3.145) 3.445 3.332 ( -5.046 0.000 0.993) 5.143 3.505 ( -1.659 0.000 -1.468) 2.215 3.553 ( 1.288 0.000 -0.365) 1.338 3.769 ( 0.625 0.000 -0.165) 0.646 3.770 ( -2.780 0.000 0.370) 2.805 3.910 ( 0.387 0.000 0.298) 0.489 3.945 ( -1.177 0.000 -0.155) 1.187 4.146 ( -0.035 0.000 -0.436) 0.437 4.167 ( -0.154 0.000 -0.661) 0.678 4.284 ( 1.893 0.000 0.474) 1.951 4.314 ( -0.921 0.000 0.047) 0.922 4.361 ( -1.336 0.000 0.767) 1.540 4.412 ( 0.753 0.000 -0.945) 1.208 4.501 ( -4.877 0.000 -2.262) 5.376 4.517 ( -7.372 0.000 2.908) 7.925 4.645 ( 1.738 0.000 2.625) 3.148 4.665 ( 1.248 0.000 -1.296) 1.800 4.715 ( 1.191 0.000 -3.507) 3.704 4.768 ( -1.115 0.000 1.975) 2.268 4.815 ( -1.181 0.000 1.971) 2.298 5.057 ( 2.194 0.000 -1.613) 2.723 5.123 ( 4.274 0.000 1.190) 4.437 5.187 ( 2.102 0.000 -3.338) 3.945 5.356 ( 0.368 0.000 -2.736) 2.761 5.392 ( 3.878 0.000 5.734) 6.922 5.582 ( -3.397 0.000 -2.909) 4.473 5.691 ( 2.046 0.000 0.687) 2.158 9.230 ( 0.090 0.000 1.682) 1.685 9.243 ( 0.373 0.000 -1.592) 1.635 9.249 ( 1.449 0.000 -0.629) 1.580 9.270 ( -0.004 0.000 1.161) 1.161 9.341 ( 0.938 0.000 1.916) 2.133 9.368 ( 0.448 0.000 -1.807) 1.862 9.389 ( -0.997 0.000 -1.310) 1.646 9.420 ( -0.094 0.000 1.192) 1.196 9.549 ( 1.367 0.000 1.006) 1.697 9.574 ( 1.436 0.000 -3.529) 3.810 9.626 ( -1.883 0.000 0.230) 1.897 9.669 ( -0.627 0.000 -0.343) 0.714 9.685 ( 1.293 0.000 0.602) 1.426 9.701 ( 0.662 0.000 -1.098) 1.282 9.756 ( -1.031 0.000 1.190) 1.575 9.877 ( -1.085 0.000 1.159) 1.587 ======================= Grid point 3 (4/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 0.000 0.000 -0.000) 0.000 0.486 ( 0.000 0.000 -0.000) 0.000 0.555 ( 0.000 0.000 0.000) 0.000 0.610 ( 0.000 0.000 0.000) 0.000 0.625 ( 0.000 0.000 0.000) 0.000 0.688 ( 0.000 0.000 0.000) 0.000 0.695 ( -0.000 0.000 -0.000) 0.000 0.724 ( 0.000 0.000 0.000) 0.000 0.731 ( -0.000 0.000 0.000) 0.000 0.757 ( 0.000 0.000 -0.000) 0.000 0.783 ( 0.000 0.000 0.000) 0.000 0.812 ( 0.000 0.000 -0.000) 0.000 0.830 ( 0.000 0.000 -0.000) 0.000 0.877 ( -0.000 0.000 -0.000) 0.000 0.891 ( 0.000 0.000 -0.000) 0.000 0.935 ( 0.000 0.000 -0.000) 0.000 0.955 ( 0.000 0.000 -0.000) 0.000 0.983 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 -0.000) 0.000 1.056 ( 0.000 0.000 -0.000) 0.000 1.082 ( 0.000 0.000 -0.000) 0.000 1.090 ( 0.000 0.000 0.000) 0.000 1.134 ( 0.000 0.000 -0.000) 0.000 1.173 ( 0.000 0.000 0.000) 0.000 1.183 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.270 ( 0.000 0.000 0.000) 0.000 1.302 ( 0.000 0.000 0.000) 0.000 1.305 ( 0.000 0.000 0.000) 0.000 1.336 ( 0.000 0.000 -0.000) 0.000 1.375 ( 0.000 0.000 0.000) 0.000 1.406 ( 0.000 0.000 0.000) 0.000 1.414 ( -0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 -0.000) 0.000 1.460 ( 0.000 0.000 -0.000) 0.000 1.543 ( 0.000 0.000 -0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.620 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 -0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.667 ( 0.000 0.000 -0.000) 0.000 1.684 ( 0.000 0.000 -0.000) 0.000 1.760 ( 0.000 0.000 0.000) 0.000 1.819 ( 0.000 0.000 -0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.872 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 0.000) 0.000 2.132 ( 0.000 0.000 -0.000) 0.000 2.330 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.346 ( 0.000 0.000 0.000) 0.000 2.433 ( 0.000 0.000 -0.000) 0.000 2.459 ( 0.000 0.000 -0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.638 ( 0.000 0.000 -0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 -0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 -0.000) 0.000 3.081 ( 0.000 0.000 -0.000) 0.000 3.163 ( 0.000 0.000 -0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 -0.000) 0.000 3.486 ( 0.000 0.000 -0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 3.932 ( 0.000 0.000 -0.000) 0.000 4.146 ( 0.000 0.000 -0.000) 0.000 4.165 ( 0.000 0.000 -0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.330 ( -0.000 0.000 0.000) 0.000 4.349 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 0.000) 0.000 4.426 ( -0.000 0.000 -0.000) 0.000 4.437 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.679 ( 0.000 0.000 -0.000) 0.000 4.714 ( 0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 -0.000) 0.000 4.788 ( -0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 -0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.472 ( -0.000 0.000 -0.000) 0.000 5.510 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 -0.000) 0.000 9.237 ( 0.000 0.000 -0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.267 ( 0.000 0.000 -0.000) 0.000 9.271 ( -0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 -0.000) 0.000 9.366 ( 0.000 0.000 0.000) 0.000 9.374 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.584 ( -0.000 0.000 0.000) 0.000 9.602 ( 0.000 0.000 -0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 9.709 ( -0.000 0.000 0.000) 0.000 9.718 ( 0.000 0.000 0.000) 0.000 9.740 ( 0.000 0.000 -0.000) 0.000 9.868 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/40) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.236 ( 0.000 11.223 0.000) 11.223 0.244 ( 0.000 11.562 0.000) 11.562 0.486 ( 0.000 21.270 0.000) 21.270 0.523 ( 0.000 1.888 0.000) 1.888 0.638 ( 0.000 1.126 0.000) 1.126 0.642 ( 0.000 8.546 0.000) 8.546 0.645 ( 0.000 1.834 0.000) 1.834 0.751 ( 0.000 -1.145 0.000) 1.145 0.752 ( 0.000 -1.416 0.000) 1.416 0.796 ( 0.000 -1.236 0.000) 1.236 0.853 ( 0.000 3.311 0.000) 3.311 0.858 ( 0.000 0.691 0.000) 0.691 0.894 ( 0.000 -3.535 0.000) 3.535 0.929 ( 0.000 -3.352 0.000) 3.352 0.955 ( 0.000 -4.309 0.000) 4.309 0.958 ( 0.000 -2.257 0.000) 2.257 0.964 ( 0.000 -1.881 0.000) 1.881 0.999 ( 0.000 -2.179 0.000) 2.179 1.055 ( 0.000 -1.727 0.000) 1.727 1.068 ( 0.000 -2.613 0.000) 2.613 1.084 ( 0.000 -0.728 0.000) 0.728 1.139 ( 0.000 -1.355 0.000) 1.355 1.178 ( 0.000 -1.012 0.000) 1.012 1.194 ( 0.000 -2.393 0.000) 2.393 1.204 ( 0.000 -1.614 0.000) 1.614 1.222 ( 0.000 -0.190 0.000) 0.190 1.245 ( 0.000 -1.956 0.000) 1.956 1.266 ( 0.000 -1.090 0.000) 1.090 1.297 ( 0.000 1.103 0.000) 1.103 1.335 ( 0.000 1.726 0.000) 1.726 1.384 ( 0.000 0.897 0.000) 0.897 1.410 ( 0.000 3.486 0.000) 3.486 1.422 ( 0.000 0.864 0.000) 0.864 1.447 ( 0.000 0.227 0.000) 0.227 1.455 ( 0.000 0.100 0.000) 0.100 1.468 ( 0.000 2.356 0.000) 2.356 1.500 ( 0.000 0.857 0.000) 0.857 1.518 ( 0.000 4.474 0.000) 4.474 1.613 ( 0.000 -0.849 0.000) 0.849 1.616 ( 0.000 0.427 0.000) 0.427 1.654 ( 0.000 -0.272 0.000) 0.272 1.684 ( 0.000 -0.975 0.000) 0.975 1.709 ( 0.000 -2.513 0.000) 2.513 1.740 ( 0.000 -0.489 0.000) 0.489 1.843 ( 0.000 -0.096 0.000) 0.096 1.865 ( 0.000 -0.368 0.000) 0.368 1.899 ( 0.000 0.669 0.000) 0.669 1.918 ( 0.000 -1.004 0.000) 1.004 2.236 ( 0.000 -0.432 0.000) 0.432 2.251 ( 0.000 1.474 0.000) 1.474 2.320 ( 0.000 1.230 0.000) 1.230 2.385 ( 0.000 0.286 0.000) 0.286 2.404 ( 0.000 2.788 0.000) 2.788 2.495 ( 0.000 1.338 0.000) 1.338 2.529 ( 0.000 1.553 0.000) 1.553 2.535 ( 0.000 -1.125 0.000) 1.125 2.540 ( 0.000 3.095 0.000) 3.095 2.595 ( 0.000 -0.580 0.000) 0.580 2.651 ( 0.000 -0.206 0.000) 0.206 2.804 ( 0.000 -2.242 0.000) 2.242 3.042 ( 0.000 -6.150 0.000) 6.150 3.074 ( 0.000 -12.062 0.000) 12.062 3.116 ( 0.000 -3.768 0.000) 3.768 3.254 ( 0.000 -5.782 0.000) 5.782 3.326 ( 0.000 0.800 0.000) 0.800 3.392 ( 0.000 -4.774 0.000) 4.774 3.537 ( 0.000 -1.648 0.000) 1.648 3.645 ( 0.000 1.620 0.000) 1.620 3.733 ( 0.000 -2.409 0.000) 2.409 3.793 ( 0.000 -4.841 0.000) 4.841 3.908 ( 0.000 1.945 0.000) 1.945 3.992 ( 0.000 -0.668 0.000) 0.668 4.184 ( 0.000 3.124 0.000) 3.124 4.213 ( 0.000 -1.496 0.000) 1.496 4.266 ( 0.000 -1.155 0.000) 1.155 4.308 ( 0.000 -0.582 0.000) 0.582 4.335 ( 0.000 -0.989 0.000) 0.989 4.351 ( 0.000 0.737 0.000) 0.737 4.491 ( 0.000 -0.487 0.000) 0.487 4.592 ( 0.000 -1.371 0.000) 1.371 4.616 ( 0.000 -2.807 0.000) 2.807 4.704 ( 0.000 3.148 0.000) 3.148 4.791 ( 0.000 3.252 0.000) 3.252 4.825 ( 0.000 2.487 0.000) 2.487 4.916 ( 0.000 0.719 0.000) 0.719 4.948 ( 0.000 -8.199 0.000) 8.199 5.086 ( 0.000 3.474 0.000) 3.474 5.184 ( 0.000 2.988 0.000) 2.988 5.199 ( 0.000 -0.974 0.000) 0.974 5.341 ( 0.000 5.804 0.000) 5.804 5.579 ( 0.000 0.098 0.000) 0.098 5.868 ( 0.000 -2.739 0.000) 2.739 9.219 ( 0.000 0.264 0.000) 0.264 9.220 ( 0.000 1.095 0.000) 1.095 9.269 ( 0.000 1.714 0.000) 1.714 9.275 ( 0.000 0.896 0.000) 0.896 9.284 ( 0.000 0.413 0.000) 0.413 9.358 ( 0.000 -0.020 0.000) 0.020 9.394 ( 0.000 -2.035 0.000) 2.035 9.479 ( 0.000 -0.875 0.000) 0.875 9.482 ( 0.000 2.079 0.000) 2.079 9.502 ( 0.000 -0.038 0.000) 0.038 9.583 ( 0.000 -2.005 0.000) 2.005 9.607 ( 0.000 -1.685 0.000) 1.685 9.701 ( 0.000 -0.421 0.000) 0.421 9.713 ( 0.000 -1.027 0.000) 1.027 9.805 ( 0.000 3.822 0.000) 3.822 10.021 ( 0.000 -1.340 0.000) 1.340 ======================= Grid point 8 (6/40) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 6.662 6.482 0.063) 9.295 0.361 ( 6.104 7.862 2.848) 10.353 0.528 ( 1.082 -0.069 0.684) 1.282 0.601 ( 2.732 4.993 2.954) 6.412 0.652 ( 2.995 3.150 -1.085) 4.480 0.683 ( 1.852 1.823 -1.118) 2.828 0.707 ( 2.671 0.681 -1.096) 2.967 0.720 ( 2.115 3.871 2.601) 5.120 0.787 ( 0.931 3.438 -0.353) 3.579 0.795 ( -3.066 -2.585 -0.176) 4.014 0.804 ( -2.272 -3.326 -0.509) 4.060 0.848 ( -0.754 0.714 -0.633) 1.216 0.876 ( -1.157 -0.830 0.350) 1.467 0.899 ( -0.883 -2.242 -1.391) 2.782 0.913 ( 2.171 2.966 0.310) 3.689 0.954 ( -0.566 -2.496 -1.232) 2.841 0.973 ( -1.903 -0.336 0.106) 1.935 1.001 ( 2.064 -1.196 0.537) 2.445 1.051 ( -2.082 1.376 1.126) 2.738 1.078 ( -5.173 1.407 0.260) 5.367 1.089 ( -0.192 -0.519 1.518) 1.616 1.107 ( 0.271 -0.089 -2.588) 2.603 1.126 ( 0.243 1.070 -1.461) 1.827 1.169 ( -0.451 -0.602 -0.406) 0.855 1.203 ( -2.001 0.362 -1.521) 2.539 1.221 ( -0.685 -1.951 0.992) 2.294 1.251 ( -0.493 -1.033 0.862) 1.433 1.279 ( -2.246 -0.338 1.883) 2.951 1.304 ( 0.525 -0.112 -0.214) 0.578 1.352 ( 5.277 -2.610 -0.499) 5.909 1.370 ( 0.118 1.110 -2.211) 2.477 1.402 ( -1.248 -1.881 -0.747) 2.378 1.422 ( -0.516 0.291 -0.091) 0.600 1.439 ( 0.855 -0.832 -0.287) 1.227 1.482 ( 1.709 0.695 1.206) 2.204 1.496 ( 0.697 2.032 0.120) 2.151 1.514 ( 0.893 0.174 0.087) 0.914 1.522 ( -1.260 2.097 1.232) 2.739 1.607 ( -0.267 0.336 -0.789) 0.898 1.625 ( 0.658 -0.346 0.235) 0.780 1.632 ( -0.313 0.591 0.504) 0.837 1.669 ( -1.013 -0.849 1.479) 1.983 1.722 ( -0.304 -0.435 -0.566) 0.776 1.747 ( 0.244 -1.192 0.846) 1.481 1.839 ( -1.412 0.167 -1.407) 2.000 1.859 ( 0.896 -0.581 0.244) 1.096 1.892 ( -0.196 0.860 -0.066) 0.885 1.939 ( 1.509 0.432 0.299) 1.598 2.211 ( -2.665 2.712 -2.177) 4.382 2.255 ( 1.416 0.814 0.533) 1.718 2.317 ( 1.212 0.265 -0.727) 1.438 2.373 ( -0.319 1.676 2.074) 2.685 2.443 ( 0.877 1.935 0.457) 2.173 2.477 ( -0.932 2.241 0.277) 2.443 2.531 ( 0.512 1.883 1.336) 2.365 2.544 ( 1.517 -1.114 -0.521) 1.953 2.569 ( 2.386 -1.512 0.254) 2.836 2.598 ( 0.736 0.595 -1.902) 2.125 2.654 ( 0.852 -0.485 -2.160) 2.372 2.810 ( -0.879 -2.520 0.737) 2.769 3.041 ( -2.132 -7.413 0.396) 7.723 3.054 ( -0.628 -7.860 -0.288) 7.890 3.107 ( -0.537 -4.983 0.062) 5.012 3.190 ( -4.937 -4.308 -0.343) 6.561 3.267 ( -5.131 1.038 0.079) 5.236 3.399 ( 0.513 -6.571 -1.247) 6.708 3.463 ( -6.477 -0.428 1.157) 6.594 3.599 ( -3.712 0.416 -0.402) 3.757 3.722 ( -0.505 -2.184 -0.352) 2.269 3.812 ( 1.599 -4.263 -1.274) 4.727 3.875 ( -3.003 1.427 2.257) 4.019 3.977 ( -1.154 -0.818 -1.573) 2.116 4.186 ( -1.561 0.337 0.643) 1.721 4.193 ( -0.560 2.193 0.137) 2.267 4.238 ( 0.412 -2.318 0.882) 2.514 4.269 ( -1.521 -0.587 -0.897) 1.861 4.348 ( 0.896 -1.278 -0.687) 1.706 4.414 ( 2.163 -2.073 -0.969) 3.148 4.539 ( -0.157 -2.231 5.610) 6.039 4.581 ( -3.894 -3.122 -2.276) 5.485 4.627 ( 2.337 -0.338 0.922) 2.535 4.665 ( -0.440 3.906 0.092) 3.932 4.717 ( -5.805 -1.556 -1.515) 6.198 4.868 ( 2.305 5.081 -1.796) 5.861 4.883 ( 3.158 3.652 2.801) 5.581 5.022 ( 2.598 0.503 -1.764) 3.181 5.146 ( 4.677 0.821 -2.670) 5.448 5.148 ( -1.090 5.232 -0.634) 5.382 5.252 ( 4.150 -1.597 2.209) 4.965 5.344 ( 0.060 1.702 -2.136) 2.732 5.608 ( 2.595 -1.177 -0.041) 2.850 5.751 ( -6.449 2.964 -1.681) 7.294 9.222 ( 0.319 0.311 0.396) 0.596 9.235 ( 1.036 0.951 0.379) 1.457 9.263 ( -0.141 1.520 -1.025) 1.839 9.275 ( 0.235 1.235 0.637) 1.410 9.308 ( 1.211 0.123 1.574) 1.990 9.361 ( -0.092 -0.609 -0.684) 0.921 9.406 ( 0.870 -0.626 0.860) 1.375 9.446 ( -1.871 1.615 -1.398) 2.840 9.517 ( 1.574 -0.209 0.187) 1.599 9.543 ( 1.647 -3.997 2.015) 4.769 9.558 ( 0.891 -0.539 -0.674) 1.240 9.623 ( 0.166 -2.037 -2.021) 2.874 9.701 ( -0.251 -1.092 0.048) 1.121 9.720 ( 0.562 -0.607 2.150) 2.304 9.785 ( -1.311 3.798 -1.082) 4.161 9.960 ( -3.176 1.863 -1.818) 4.106 ======================= Grid point 9 (7/40) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 1.368 -0.056 1.377) 1.942 0.463 ( 4.066 1.425 0.975) 4.418 0.517 ( -0.560 0.415 1.118) 1.317 0.606 ( -1.524 -0.421 -1.982) 2.535 0.637 ( -5.243 -0.543 -0.069) 5.271 0.679 ( 0.602 0.041 -2.230) 2.310 0.711 ( -1.503 -1.906 -0.427) 2.464 0.725 ( -1.107 -0.520 -0.871) 1.502 0.755 ( 2.488 0.587 -0.876) 2.703 0.782 ( 0.606 1.538 1.318) 2.114 0.811 ( -0.560 1.102 -2.316) 2.625 0.846 ( -2.712 0.139 -0.533) 2.767 0.857 ( 1.009 3.120 -2.484) 4.114 0.924 ( -1.003 1.212 -0.098) 1.576 0.945 ( 1.379 1.109 2.446) 3.019 0.962 ( -0.644 1.615 -0.337) 1.771 0.978 ( 2.787 1.271 0.410) 3.091 1.014 ( 1.307 1.864 0.477) 2.326 1.061 ( 0.360 1.705 1.653) 2.402 1.072 ( -0.149 0.157 -0.160) 0.270 1.094 ( 2.964 2.656 0.967) 4.095 1.104 ( -2.486 4.094 0.367) 4.804 1.122 ( 0.296 2.447 -0.552) 2.526 1.133 ( 2.524 2.353 -1.238) 3.666 1.151 ( 0.453 0.184 0.703) 0.856 1.210 ( -0.791 -0.913 -0.357) 1.260 1.261 ( 0.431 -2.468 0.688) 2.598 1.276 ( -0.351 -1.259 0.992) 1.641 1.290 ( -0.406 -1.172 0.050) 1.242 1.330 ( -3.268 -2.834 -0.726) 4.386 1.371 ( -0.149 1.643 -3.166) 3.570 1.398 ( -2.454 -2.302 -0.082) 3.365 1.418 ( 1.419 -1.454 1.815) 2.724 1.432 ( -1.146 0.901 -0.111) 1.462 1.469 ( -1.941 0.810 -0.156) 2.109 1.501 ( 0.955 -2.319 -0.577) 2.573 1.526 ( 0.596 -1.383 -0.803) 1.707 1.548 ( -0.503 -0.208 0.246) 0.597 1.606 ( 0.457 0.410 1.336) 1.470 1.621 ( 0.598 0.810 0.248) 1.037 1.645 ( 0.078 -1.490 -0.189) 1.504 1.679 ( 0.802 1.292 0.557) 1.619 1.707 ( -0.323 1.536 -0.020) 1.569 1.759 ( 0.813 -0.062 0.498) 0.956 1.818 ( -0.355 0.546 -0.051) 0.654 1.870 ( -0.042 -0.170 0.605) 0.630 1.894 ( 0.439 0.671 0.937) 1.234 1.948 ( -1.012 2.832 -0.767) 3.104 2.170 ( -0.387 2.832 -1.102) 3.063 2.304 ( 2.791 1.322 0.642) 3.154 2.336 ( 0.573 -0.323 -0.478) 0.813 2.376 ( -0.332 2.132 1.165) 2.452 2.435 ( -0.966 -0.141 -0.569) 1.130 2.479 ( 0.784 2.364 -0.027) 2.491 2.539 ( -0.891 -0.016 1.709) 1.927 2.558 ( -0.069 -0.342 -0.760) 0.836 2.608 ( 1.055 -1.108 -0.449) 1.595 2.643 ( 3.776 -2.845 0.098) 4.729 2.664 ( 0.678 -1.893 -1.748) 2.665 2.778 ( -1.836 -1.290 0.090) 2.246 2.960 ( -4.551 -5.230 -0.231) 6.937 3.029 ( -1.974 -1.806 -0.712) 2.769 3.097 ( -0.791 -5.241 0.180) 5.304 3.113 ( -2.366 -6.840 1.070) 7.316 3.165 ( -3.292 0.531 -0.581) 3.385 3.341 ( -4.211 0.179 0.171) 4.218 3.399 ( -0.237 -7.415 -0.606) 7.443 3.528 ( -2.514 -2.342 -0.093) 3.437 3.713 ( -0.349 -2.788 -0.194) 2.816 3.810 ( -1.450 1.893 -1.438) 2.785 3.848 ( -0.224 -4.414 2.831) 5.249 3.934 ( -1.882 -1.150 -1.565) 2.705 4.164 ( -1.078 -0.688 0.938) 1.586 4.177 ( -0.158 0.459 -1.370) 1.453 4.256 ( 1.613 -0.046 -1.533) 2.226 4.287 ( 2.295 -0.464 0.347) 2.367 4.364 ( 0.935 -1.650 -0.753) 2.041 4.413 ( -1.999 -0.906 0.749) 2.319 4.450 ( -6.993 -3.269 4.549) 8.960 4.483 ( -4.092 -0.821 -2.045) 4.648 4.667 ( 1.433 2.279 1.233) 2.961 4.695 ( 2.476 2.342 -1.262) 3.634 4.718 ( 3.573 0.725 -0.753) 3.722 4.881 ( -0.749 6.271 0.010) 6.315 4.917 ( -1.391 7.610 1.659) 7.911 5.061 ( 1.750 1.488 -0.391) 2.330 5.173 ( 3.223 3.872 1.064) 5.149 5.206 ( 2.715 1.659 -3.807) 4.962 5.331 ( 0.444 -1.407 -3.458) 3.760 5.362 ( 4.311 -2.474 4.472) 6.686 5.614 ( -4.903 1.160 -0.885) 5.115 5.669 ( 0.862 -1.564 0.522) 1.861 9.233 ( 0.430 0.309 0.917) 1.059 9.256 ( -0.091 1.002 -1.075) 1.472 9.260 ( 1.315 0.862 -0.228) 1.589 9.284 ( 0.152 1.403 0.570) 1.522 9.339 ( 0.952 -0.121 1.679) 1.934 9.358 ( 0.410 -0.476 -1.192) 1.347 9.397 ( -1.192 0.786 -1.599) 2.143 9.426 ( -0.093 0.351 0.908) 0.978 9.536 ( 0.346 -1.563 -0.044) 1.602 9.562 ( 1.592 -1.189 -0.947) 2.202 9.595 ( -0.374 -1.513 -0.607) 1.673 9.631 ( 2.583 -2.081 -0.188) 3.322 9.684 ( -1.013 -0.808 -1.690) 2.129 9.735 ( -1.223 -0.853 3.648) 3.941 9.766 ( 0.319 3.881 -0.413) 3.916 9.904 ( -1.762 1.752 0.051) 2.485 ======================= Grid point 10 (8/40) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 0.000 0.149 -0.000) 0.149 0.472 ( -0.000 -1.211 -0.000) 1.211 0.510 ( 0.000 -2.059 0.000) 2.059 0.600 ( -0.000 -0.388 0.000) 0.388 0.612 ( 0.000 -1.690 0.000) 1.690 0.648 ( 0.000 3.127 0.000) 3.127 0.687 ( -0.000 0.107 0.000) 0.107 0.707 ( 0.000 -0.768 0.000) 0.768 0.776 ( -0.000 1.126 0.000) 1.126 0.782 ( 0.000 3.467 -0.000) 3.467 0.785 ( -0.000 0.597 0.000) 0.597 0.833 ( 0.000 -0.434 -0.000) 0.434 0.913 ( -0.000 1.954 0.000) 1.954 0.935 ( -0.000 -3.565 -0.000) 3.565 0.938 ( -0.000 5.514 0.000) 5.514 0.964 ( 0.000 5.013 -0.000) 5.013 0.970 ( 0.000 1.645 0.000) 1.645 1.017 ( 0.000 2.111 0.000) 2.111 1.045 ( -0.000 2.571 -0.000) 2.571 1.062 ( -0.000 0.900 0.000) 0.900 1.094 ( 0.000 2.168 0.000) 2.168 1.118 ( 0.000 1.625 -0.000) 1.625 1.121 ( -0.000 -1.840 0.000) 1.840 1.159 ( 0.000 -0.275 -0.000) 0.275 1.189 ( 0.000 0.875 -0.000) 0.875 1.200 ( -0.000 -0.367 0.000) 0.367 1.252 ( -0.000 -0.056 -0.000) 0.056 1.278 ( -0.000 -1.961 0.000) 1.961 1.302 ( 0.000 -3.420 0.000) 3.420 1.334 ( -0.000 -4.933 0.000) 4.933 1.361 ( -0.000 1.142 -0.000) 1.142 1.372 ( -0.000 3.981 0.000) 3.981 1.422 ( -0.000 1.736 -0.000) 1.736 1.444 ( -0.000 -0.209 0.000) 0.209 1.446 ( 0.000 0.645 -0.000) 0.645 1.457 ( 0.000 1.388 -0.000) 1.388 1.539 ( -0.000 -3.394 0.000) 3.394 1.540 ( 0.000 0.626 -0.000) 0.626 1.613 ( 0.000 -2.183 0.000) 2.183 1.625 ( -0.000 -0.682 -0.000) 0.682 1.649 ( 0.000 -0.920 0.000) 0.920 1.689 ( 0.000 1.674 -0.000) 1.674 1.705 ( -0.000 1.271 0.000) 1.271 1.773 ( -0.000 0.473 0.000) 0.473 1.818 ( 0.000 1.187 -0.000) 1.187 1.876 ( 0.000 0.376 -0.000) 0.376 1.909 ( 0.000 3.117 0.000) 3.117 1.915 ( 0.000 0.786 0.000) 0.786 2.168 ( 0.000 2.967 -0.000) 2.967 2.339 ( 0.000 -0.398 0.000) 0.398 2.348 ( 0.000 1.553 0.000) 1.553 2.368 ( 0.000 1.502 -0.000) 1.502 2.419 ( 0.000 -0.048 -0.000) 0.048 2.499 ( 0.000 2.236 -0.000) 2.236 2.520 ( -0.000 -1.464 0.000) 1.464 2.552 ( -0.000 -0.570 0.000) 0.570 2.621 ( 0.000 -1.143 0.000) 1.143 2.659 ( -0.000 -3.143 -0.000) 3.143 2.690 ( 0.000 -3.827 0.000) 3.827 2.758 ( -0.000 -0.496 -0.000) 0.496 2.905 ( 0.000 -3.169 0.000) 3.169 2.998 ( 0.000 -0.811 -0.000) 0.811 3.079 ( 0.000 -2.199 -0.000) 2.199 3.093 ( -0.000 -6.658 0.000) 6.658 3.141 ( 0.000 -2.850 -0.000) 2.850 3.302 ( 0.000 0.933 -0.000) 0.933 3.394 ( 0.000 -7.661 0.000) 7.661 3.503 ( -0.000 -4.288 0.000) 4.288 3.708 ( 0.000 -2.806 0.000) 2.806 3.788 ( 0.000 2.218 -0.000) 2.218 3.855 ( 0.000 -4.839 0.000) 4.839 3.907 ( 0.000 -1.469 0.000) 1.469 4.155 ( 0.000 -1.702 -0.000) 1.702 4.172 ( 0.000 0.905 0.000) 0.905 4.289 ( -0.000 -0.851 0.000) 0.851 4.319 ( -0.000 -1.073 0.000) 1.073 4.349 ( 0.000 1.641 -0.000) 1.641 4.384 ( -0.000 -3.174 0.000) 3.174 4.396 ( 0.000 -2.628 -0.000) 2.628 4.429 ( -0.000 1.916 0.000) 1.916 4.684 ( 0.000 2.130 0.000) 2.130 4.731 ( 0.000 1.459 -0.000) 1.459 4.763 ( 0.000 1.524 -0.000) 1.524 4.869 ( -0.000 10.393 0.000) 10.393 4.884 ( 0.000 5.999 -0.000) 5.999 5.080 ( 0.000 1.381 0.000) 1.381 5.216 ( 0.000 1.308 0.000) 1.308 5.233 ( 0.000 3.192 0.000) 3.192 5.328 ( 0.000 -1.354 -0.000) 1.354 5.443 ( -0.000 -2.549 -0.000) 2.549 5.527 ( 0.000 1.354 0.000) 1.354 5.682 ( 0.000 -2.626 0.000) 2.626 9.246 ( 0.000 0.337 0.000) 0.337 9.247 ( -0.000 0.770 -0.000) 0.770 9.278 ( 0.000 0.865 -0.000) 0.865 9.284 ( -0.000 1.222 0.000) 1.222 9.358 ( -0.000 0.135 0.000) 0.135 9.358 ( 0.000 -0.444 -0.000) 0.444 9.378 ( 0.000 0.699 -0.000) 0.699 9.426 ( 0.000 0.162 0.000) 0.162 9.544 ( 0.000 -2.688 0.000) 2.688 9.567 ( 0.000 -0.608 -0.000) 0.608 9.595 ( 0.000 -0.658 -0.000) 0.658 9.653 ( 0.000 -0.425 0.000) 0.425 9.681 ( -0.000 -1.581 0.000) 1.581 9.714 ( 0.000 -1.388 -0.000) 1.388 9.776 ( -0.000 3.978 0.000) 3.978 9.888 ( 0.000 1.426 -0.000) 1.426 ======================= Grid point 14 (9/40) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.000 8.461 0.000) 8.461 0.466 ( 0.000 9.649 0.000) 9.649 0.575 ( 0.000 2.591 0.000) 2.591 0.623 ( 0.000 -2.887 0.000) 2.887 0.633 ( 0.000 -2.375 0.000) 2.375 0.686 ( 0.000 -1.929 0.000) 1.929 0.707 ( 0.000 -3.258 0.000) 3.258 0.724 ( 0.000 -2.395 0.000) 2.395 0.751 ( 0.000 1.069 0.000) 1.069 0.811 ( 0.000 0.887 0.000) 0.887 0.824 ( 0.000 -4.611 0.000) 4.611 0.883 ( 0.000 -0.026 0.000) 0.026 0.886 ( 0.000 1.238 0.000) 1.238 0.902 ( 0.000 1.698 0.000) 1.698 0.949 ( 0.000 -0.153 0.000) 0.153 0.967 ( 0.000 -0.390 0.000) 0.390 0.972 ( 0.000 3.420 0.000) 3.420 0.975 ( 0.000 10.904 0.000) 10.904 1.000 ( 0.000 -3.068 0.000) 3.068 1.030 ( 0.000 -1.864 0.000) 1.864 1.089 ( 0.000 2.518 0.000) 2.518 1.111 ( 0.000 -0.914 0.000) 0.914 1.143 ( 0.000 -1.967 0.000) 1.967 1.169 ( 0.000 -2.274 0.000) 2.274 1.183 ( 0.000 1.972 0.000) 1.972 1.194 ( 0.000 -2.743 0.000) 2.743 1.217 ( 0.000 -0.190 0.000) 0.190 1.256 ( 0.000 0.458 0.000) 0.458 1.329 ( 0.000 1.485 0.000) 1.485 1.358 ( 0.000 0.235 0.000) 0.235 1.381 ( 0.000 -0.900 0.000) 0.900 1.381 ( 0.000 -3.515 0.000) 3.515 1.432 ( 0.000 -2.629 0.000) 2.629 1.435 ( 0.000 -2.215 0.000) 2.215 1.460 ( 0.000 1.510 0.000) 1.510 1.512 ( 0.000 2.089 0.000) 2.089 1.569 ( 0.000 4.204 0.000) 4.204 1.590 ( 0.000 0.515 0.000) 0.515 1.602 ( 0.000 0.643 0.000) 0.643 1.625 ( 0.000 2.129 0.000) 2.129 1.650 ( 0.000 -0.547 0.000) 0.547 1.672 ( 0.000 -0.698 0.000) 0.698 1.673 ( 0.000 -0.255 0.000) 0.255 1.713 ( 0.000 -1.765 0.000) 1.765 1.838 ( 0.000 -1.221 0.000) 1.221 1.849 ( 0.000 -1.172 0.000) 1.172 1.898 ( 0.000 -0.103 0.000) 0.103 1.904 ( 0.000 -0.128 0.000) 0.128 2.257 ( 0.000 2.533 0.000) 2.533 2.288 ( 0.000 2.068 0.000) 2.068 2.339 ( 0.000 0.400 0.000) 0.400 2.392 ( 0.000 -0.729 0.000) 0.729 2.454 ( 0.000 1.666 0.000) 1.666 2.495 ( 0.000 -1.727 0.000) 1.727 2.531 ( 0.000 1.461 0.000) 1.461 2.573 ( 0.000 -1.858 0.000) 1.858 2.579 ( 0.000 2.471 0.000) 2.471 2.599 ( 0.000 2.854 0.000) 2.854 2.637 ( 0.000 -1.431 0.000) 1.431 2.743 ( 0.000 -3.494 0.000) 3.494 2.853 ( 0.000 -7.161 0.000) 7.161 2.908 ( 0.000 -5.881 0.000) 5.881 2.979 ( 0.000 -6.625 0.000) 6.625 3.088 ( 0.000 -8.327 0.000) 8.327 3.357 ( 0.000 1.890 0.000) 1.890 3.367 ( 0.000 1.140 0.000) 1.140 3.525 ( 0.000 0.519 0.000) 0.519 3.634 ( 0.000 -2.658 0.000) 2.658 3.690 ( 0.000 -1.588 0.000) 1.588 3.703 ( 0.000 -3.063 0.000) 3.063 3.933 ( 0.000 0.462 0.000) 0.462 3.962 ( 0.000 -1.663 0.000) 1.663 4.190 ( 0.000 -0.383 0.000) 0.383 4.236 ( 0.000 -1.080 0.000) 1.080 4.250 ( 0.000 1.748 0.000) 1.748 4.286 ( 0.000 -1.166 0.000) 1.166 4.323 ( 0.000 0.357 0.000) 0.357 4.365 ( 0.000 0.604 0.000) 0.604 4.472 ( 0.000 -1.157 0.000) 1.157 4.544 ( 0.000 -3.176 0.000) 3.176 4.605 ( 0.000 1.430 0.000) 1.430 4.748 ( 0.000 -0.142 0.000) 0.142 4.788 ( 0.000 -5.284 0.000) 5.284 4.822 ( 0.000 -0.369 0.000) 0.369 4.902 ( 0.000 4.458 0.000) 4.458 4.961 ( 0.000 2.880 0.000) 2.880 5.181 ( 0.000 -0.482 0.000) 0.482 5.204 ( 0.000 7.364 0.000) 7.364 5.218 ( 0.000 0.228 0.000) 0.228 5.406 ( 0.000 0.042 0.000) 0.042 5.594 ( 0.000 1.776 0.000) 1.776 5.785 ( 0.000 -5.249 0.000) 5.249 9.228 ( 0.000 0.569 0.000) 0.569 9.247 ( 0.000 0.700 0.000) 0.700 9.295 ( 0.000 1.162 0.000) 1.162 9.299 ( 0.000 1.834 0.000) 1.834 9.316 ( 0.000 2.299 0.000) 2.299 9.348 ( 0.000 -0.909 0.000) 0.909 9.365 ( 0.000 -0.580 0.000) 0.580 9.450 ( 0.000 -2.436 0.000) 2.436 9.495 ( 0.000 -0.235 0.000) 0.235 9.513 ( 0.000 0.374 0.000) 0.374 9.573 ( 0.000 1.028 0.000) 1.028 9.578 ( 0.000 -0.735 0.000) 0.735 9.667 ( 0.000 -2.186 0.000) 2.186 9.685 ( 0.000 -1.624 0.000) 1.624 9.885 ( 0.000 3.474 0.000) 3.474 9.987 ( 0.000 -1.877 0.000) 1.877 ======================= Grid point 15 (10/40) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -0.212 3.945 0.375) 3.968 0.511 ( 2.436 5.825 1.844) 6.578 0.530 ( -1.885 0.438 0.788) 2.089 0.608 ( -0.759 -3.032 -1.001) 3.282 0.663 ( -0.723 -3.459 -0.476) 3.565 0.678 ( -1.321 -1.080 -0.133) 1.712 0.700 ( 0.207 -1.107 -0.431) 1.206 0.702 ( -0.619 -0.777 -0.443) 1.088 0.739 ( -0.921 0.091 -0.945) 1.323 0.816 ( 3.708 1.098 0.076) 3.868 0.840 ( -0.223 -1.722 -0.223) 1.750 0.863 ( -2.892 3.234 1.198) 4.501 0.889 ( 2.207 -0.835 -3.004) 3.820 0.899 ( 1.098 1.302 -0.079) 1.705 0.963 ( -0.602 0.493 0.319) 0.841 0.976 ( 2.948 -0.211 0.295) 2.970 1.007 ( 1.703 3.793 -0.088) 4.159 1.033 ( 3.494 -2.646 0.160) 4.386 1.058 ( 4.987 8.797 2.417) 10.397 1.081 ( -1.778 0.530 2.108) 2.808 1.098 ( 1.605 0.081 -0.648) 1.732 1.114 ( 0.450 0.035 -1.908) 1.960 1.126 ( -1.234 0.591 0.143) 1.376 1.159 ( 0.488 0.985 -0.400) 1.170 1.167 ( -0.820 -1.617 -1.360) 2.267 1.196 ( -1.197 -2.313 0.119) 2.607 1.230 ( 0.576 -1.252 2.555) 2.902 1.274 ( 0.526 -0.259 0.364) 0.690 1.293 ( -1.089 -0.147 0.012) 1.099 1.318 ( -1.542 -2.857 0.655) 3.312 1.354 ( -1.077 1.174 -1.637) 2.284 1.395 ( -0.674 -1.187 0.534) 1.466 1.413 ( -2.734 -0.134 -1.555) 3.148 1.437 ( 0.706 -0.139 0.361) 0.805 1.459 ( 1.285 -2.322 0.264) 2.667 1.509 ( -0.628 0.581 1.029) 1.338 1.556 ( -0.956 2.468 -0.899) 2.795 1.579 ( -0.822 2.811 0.695) 3.010 1.592 ( -1.922 -1.200 -0.008) 2.266 1.631 ( 0.349 0.227 -1.087) 1.164 1.639 ( 1.108 1.274 0.256) 1.708 1.675 ( 0.977 0.455 2.131) 2.388 1.721 ( 0.858 -0.362 0.150) 0.943 1.726 ( 1.834 -0.334 -0.159) 1.871 1.841 ( 1.085 -0.357 -0.830) 1.412 1.867 ( -0.651 1.589 -0.493) 1.786 1.903 ( -0.263 0.028 -0.068) 0.273 1.910 ( 3.414 -2.890 -0.067) 4.473 2.270 ( -1.330 2.697 -1.450) 3.339 2.288 ( 2.323 2.114 0.286) 3.154 2.326 ( -0.667 0.610 -0.366) 0.975 2.403 ( 0.699 0.969 1.048) 1.589 2.463 ( 0.338 -0.064 0.793) 0.865 2.496 ( -0.404 -1.783 0.644) 1.938 2.528 ( -0.348 0.563 0.609) 0.900 2.559 ( -1.443 0.741 -0.789) 1.803 2.580 ( 0.220 2.023 -0.230) 2.048 2.593 ( 0.822 -0.909 -0.747) 1.436 2.642 ( 0.207 -0.785 -1.051) 1.328 2.743 ( -0.858 -3.890 1.475) 4.248 2.849 ( -0.537 -6.713 1.329) 6.864 2.928 ( 1.493 -6.170 -0.113) 6.349 2.958 ( -1.176 -6.091 -1.792) 6.458 3.058 ( -2.626 -7.313 -0.408) 7.781 3.301 ( -4.896 1.874 0.624) 5.280 3.333 ( -2.661 -0.245 -1.040) 2.868 3.468 ( -5.215 1.152 0.796) 5.399 3.578 ( -5.039 -2.349 0.092) 5.560 3.689 ( -0.062 -1.059 -0.597) 1.217 3.722 ( 1.387 -3.404 0.561) 3.718 3.902 ( -2.491 0.757 0.388) 2.632 3.944 ( -1.416 -1.841 -0.761) 2.444 4.173 ( -1.203 -0.426 -0.407) 1.340 4.204 ( -2.554 -0.516 0.350) 2.630 4.258 ( 0.399 0.767 -0.934) 1.273 4.271 ( 0.322 0.747 0.508) 0.959 4.329 ( 0.556 -0.061 0.278) 0.624 4.371 ( -0.172 -1.356 0.544) 1.471 4.483 ( -2.807 -2.695 3.683) 5.359 4.525 ( -1.613 -2.533 -2.552) 3.941 4.632 ( 3.428 0.486 0.455) 3.492 4.671 ( -1.897 -1.481 -1.432) 2.800 4.768 ( 0.737 4.118 0.295) 4.194 4.902 ( 3.460 -1.643 0.069) 3.831 4.967 ( 4.831 4.690 2.486) 7.178 5.071 ( 7.144 2.823 -2.301) 8.019 5.197 ( 1.310 -0.306 0.689) 1.512 5.208 ( 0.892 5.080 0.178) 5.161 5.238 ( 1.587 0.789 0.133) 1.777 5.373 ( -2.054 -0.096 -2.571) 3.292 5.594 ( 0.163 0.461 0.062) 0.492 5.736 ( -4.152 -3.529 -0.117) 5.451 9.232 ( 0.361 0.643 0.344) 0.814 9.255 ( 0.771 0.355 -0.439) 0.956 9.288 ( -0.600 1.468 1.281) 2.038 9.311 ( 0.834 1.350 -0.870) 1.809 9.322 ( 0.837 1.668 -0.925) 2.084 9.350 ( -0.010 -0.175 0.961) 0.977 9.389 ( 1.693 -0.674 1.024) 2.090 9.473 ( 0.063 -1.350 1.678) 2.155 9.478 ( -0.607 -0.496 -2.138) 2.277 9.511 ( 0.599 -0.677 -0.797) 1.206 9.553 ( -0.070 0.327 1.080) 1.131 9.604 ( 1.227 -0.203 -2.089) 2.432 9.664 ( -0.349 -1.998 0.953) 2.241 9.692 ( 0.521 -1.615 -0.033) 1.697 9.869 ( -1.258 3.666 0.194) 3.881 9.964 ( -1.786 -0.974 -0.656) 2.138 ======================= Grid point 16 (11/40) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( -0.080 1.100 -0.299) 1.143 0.475 ( 0.085 0.178 0.925) 0.946 0.581 ( -0.171 3.113 -0.292) 3.131 0.596 ( 0.439 0.922 -0.142) 1.031 0.645 ( 0.405 0.377 -1.723) 1.810 0.685 ( 1.627 -1.066 -0.135) 1.950 0.704 ( 1.093 -0.042 -0.839) 1.378 0.708 ( 0.783 1.270 0.284) 1.519 0.743 ( 2.195 0.332 -0.985) 2.428 0.808 ( -1.621 1.342 0.559) 2.177 0.843 ( 0.064 1.377 -0.069) 1.380 0.868 ( -4.008 0.818 0.012) 4.091 0.892 ( 0.508 0.596 -0.793) 1.114 0.927 ( 2.047 0.650 -1.838) 2.827 0.937 ( -1.003 -0.770 0.614) 1.405 1.009 ( 0.618 -0.177 -0.665) 0.925 1.033 ( -0.554 2.467 1.726) 3.062 1.039 ( -1.198 0.526 -0.671) 1.470 1.060 ( -1.459 -1.511 -1.318) 2.480 1.068 ( 1.497 -1.711 -0.268) 2.289 1.092 ( -1.206 0.395 0.214) 1.287 1.122 ( -2.007 -0.211 2.090) 2.906 1.129 ( 0.359 -1.430 -1.491) 2.097 1.144 ( -0.477 -0.851 -0.176) 0.992 1.187 ( 2.858 -0.527 1.232) 3.156 1.229 ( -1.015 -1.386 -0.588) 1.816 1.244 ( -0.590 -0.705 -0.790) 1.212 1.253 ( -1.146 0.888 2.384) 2.790 1.277 ( -1.261 1.067 1.213) 2.049 1.308 ( -0.125 -1.448 -1.302) 1.952 1.336 ( 1.020 1.536 -0.086) 1.846 1.392 ( 2.707 -0.131 -0.492) 2.755 1.409 ( 1.421 -0.523 0.826) 1.725 1.438 ( -0.725 -0.886 -0.249) 1.171 1.475 ( 0.781 1.565 0.452) 1.807 1.503 ( 0.296 1.455 -0.667) 1.628 1.544 ( -0.311 3.255 -0.600) 3.324 1.568 ( -0.629 -2.029 1.499) 2.600 1.571 ( -0.151 0.704 -0.486) 0.869 1.642 ( -0.758 0.942 -0.103) 1.213 1.647 ( 0.806 1.894 -0.471) 2.111 1.705 ( 0.924 0.544 1.038) 1.492 1.735 ( -0.058 1.193 0.237) 1.218 1.754 ( 1.530 -0.220 -0.029) 1.546 1.850 ( 0.106 1.944 -0.341) 1.976 1.870 ( 0.886 0.278 0.441) 1.028 1.909 ( 0.877 0.620 0.820) 1.351 1.964 ( 0.844 -1.269 -0.216) 1.539 2.236 ( -0.717 3.265 -0.985) 3.485 2.317 ( -0.001 -1.311 -0.614) 1.447 2.339 ( 2.354 1.697 -0.261) 2.913 2.411 ( -1.002 -0.003 0.194) 1.021 2.444 ( -0.547 1.945 -0.191) 2.030 2.501 ( -1.864 -1.799 0.743) 2.695 2.527 ( 1.547 -2.462 0.352) 2.929 2.535 ( -1.059 1.427 0.592) 1.873 2.592 ( 0.470 -0.386 -0.769) 0.981 2.598 ( 0.405 -0.948 0.098) 1.036 2.633 ( -0.708 -1.621 -0.240) 1.785 2.719 ( -1.659 -4.268 0.526) 4.609 2.842 ( -0.954 -4.750 1.289) 5.013 2.927 ( -0.476 -7.870 -1.202) 7.975 2.957 ( 0.980 -3.977 -1.132) 4.249 2.996 ( -2.670 -4.903 0.098) 5.584 3.204 ( -3.814 2.422 0.384) 4.535 3.280 ( -1.225 -2.448 -1.339) 3.047 3.362 ( -4.531 1.108 1.064) 4.784 3.469 ( -4.571 -3.149 -0.107) 5.552 3.686 ( -0.019 0.036 -0.119) 0.126 3.750 ( 0.921 -3.671 0.261) 3.794 3.856 ( -2.041 1.476 0.941) 2.689 3.905 ( -1.775 -1.499 -1.106) 2.573 4.140 ( -1.784 -0.724 -0.688) 2.044 4.166 ( -0.817 -0.606 -0.213) 1.039 4.275 ( 1.715 0.663 -0.913) 2.053 4.295 ( 1.169 -0.265 0.415) 1.268 4.329 ( -1.015 -1.620 0.521) 1.981 4.361 ( -0.723 -2.203 0.030) 2.319 4.410 ( -3.338 -0.237 2.536) 4.199 4.479 ( -1.704 -0.743 -1.396) 2.325 4.701 ( 2.622 1.115 0.638) 2.919 4.712 ( 3.681 0.439 -1.307) 3.930 4.796 ( 1.785 4.692 0.401) 5.036 4.939 ( 0.008 -0.840 1.453) 1.678 5.061 ( 2.442 6.545 0.631) 7.014 5.145 ( 1.399 5.698 -0.615) 5.900 5.241 ( 2.046 1.064 1.646) 2.833 5.248 ( 2.288 2.490 -3.609) 4.946 5.289 ( 2.096 -2.079 2.876) 4.121 5.333 ( 1.389 -0.593 -3.212) 3.549 5.596 ( -1.031 -1.479 0.769) 1.960 5.643 ( -3.930 -1.794 -0.081) 4.321 9.244 ( 0.608 0.736 0.427) 1.046 9.268 ( 0.345 0.100 -0.644) 0.738 9.285 ( 0.144 1.441 0.476) 1.525 9.314 ( -0.152 0.783 -0.357) 0.874 9.343 ( 1.236 0.676 -0.280) 1.436 9.358 ( 0.318 0.424 0.186) 0.561 9.420 ( 0.710 0.810 -0.457) 1.170 9.436 ( -1.227 1.393 -0.349) 1.889 9.484 ( -0.023 -2.772 0.273) 2.786 9.537 ( 1.856 -1.549 -0.667) 2.507 9.569 ( 0.602 -0.875 0.499) 1.174 9.608 ( 0.365 -0.604 -1.530) 1.685 9.658 ( -0.619 -1.128 0.532) 1.393 9.702 ( -0.184 -1.790 1.239) 2.185 9.854 ( -0.156 3.824 0.645) 3.881 9.927 ( -1.271 0.272 -0.248) 1.323 ======================= Grid point 17 (12/40) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( -0.000 1.956 0.000) 1.956 0.482 ( 0.000 2.775 0.000) 2.775 0.535 ( 0.000 4.071 -0.000) 4.071 0.614 ( -0.000 1.807 -0.000) 1.807 0.639 ( 0.000 2.418 0.000) 2.418 0.700 ( 0.000 0.465 -0.000) 0.465 0.713 ( 0.000 1.283 0.000) 1.283 0.731 ( -0.000 4.219 0.000) 4.219 0.778 ( 0.000 0.238 -0.000) 0.238 0.799 ( 0.000 1.490 0.000) 1.490 0.826 ( 0.000 0.526 -0.000) 0.526 0.845 ( -0.000 -4.566 0.000) 4.566 0.873 ( 0.000 1.773 -0.000) 1.773 0.918 ( -0.000 -0.838 0.000) 0.838 0.958 ( 0.000 0.400 0.000) 0.400 0.975 ( 0.000 -2.010 -0.000) 2.010 1.006 ( 0.000 -1.948 0.000) 1.948 1.050 ( -0.000 0.240 0.000) 0.240 1.061 ( 0.000 -2.281 -0.000) 2.281 1.074 ( -0.000 -0.468 0.000) 0.468 1.081 ( 0.000 -1.884 -0.000) 1.884 1.113 ( -0.000 1.228 -0.000) 1.228 1.155 ( -0.000 -2.602 -0.000) 2.602 1.159 ( 0.000 2.062 0.000) 2.062 1.172 ( -0.000 -0.478 0.000) 0.478 1.204 ( 0.000 -0.275 0.000) 0.275 1.214 ( -0.000 -2.631 0.000) 2.631 1.230 ( 0.000 -2.299 -0.000) 2.299 1.267 ( -0.000 2.030 0.000) 2.030 1.312 ( -0.000 2.731 -0.000) 2.731 1.375 ( -0.000 0.276 -0.000) 0.276 1.406 ( 0.000 -2.282 0.000) 2.282 1.431 ( -0.000 -0.214 0.000) 0.214 1.452 ( 0.000 -1.730 -0.000) 1.730 1.479 ( -0.000 1.088 0.000) 1.088 1.521 ( -0.000 5.199 -0.000) 5.199 1.539 ( 0.000 3.529 0.000) 3.529 1.565 ( 0.000 -3.213 -0.000) 3.213 1.591 ( 0.000 0.572 0.000) 0.572 1.597 ( -0.000 4.539 -0.000) 4.539 1.656 ( 0.000 1.178 0.000) 1.178 1.719 ( -0.000 1.263 -0.000) 1.263 1.728 ( 0.000 1.025 -0.000) 1.025 1.775 ( -0.000 -0.293 0.000) 0.293 1.854 ( 0.000 1.645 -0.000) 1.645 1.884 ( 0.000 0.204 0.000) 0.204 1.940 ( -0.000 1.231 -0.000) 1.231 1.945 ( 0.000 0.590 0.000) 0.590 2.231 ( 0.000 2.782 0.000) 2.782 2.315 ( 0.000 -1.875 0.000) 1.875 2.370 ( 0.000 -0.200 0.000) 0.200 2.391 ( 0.000 0.098 0.000) 0.098 2.443 ( 0.000 2.179 -0.000) 2.179 2.479 ( -0.000 -1.454 -0.000) 1.454 2.523 ( 0.000 0.381 0.000) 0.381 2.538 ( -0.000 -0.349 -0.000) 0.349 2.596 ( 0.000 -3.224 -0.000) 3.224 2.613 ( 0.000 -0.996 0.000) 0.996 2.615 ( -0.000 -1.584 -0.000) 1.584 2.699 ( -0.000 -4.662 -0.000) 4.662 2.831 ( 0.000 -3.214 0.000) 3.214 2.921 ( 0.000 -8.213 -0.000) 8.213 2.960 ( 0.000 -2.571 -0.000) 2.571 2.972 ( 0.000 -4.683 0.000) 4.683 3.166 ( 0.000 2.734 -0.000) 2.734 3.271 ( 0.000 -3.560 0.000) 3.560 3.317 ( 0.000 0.807 0.000) 0.807 3.418 ( -0.000 -3.820 0.000) 3.820 3.686 ( 0.000 0.533 0.000) 0.533 3.760 ( 0.000 -3.764 -0.000) 3.764 3.836 ( 0.000 1.976 -0.000) 1.976 3.879 ( 0.000 -1.129 0.000) 1.129 4.116 ( 0.000 -0.920 0.000) 0.920 4.158 ( 0.000 -1.581 0.000) 1.581 4.293 ( 0.000 -0.413 -0.000) 0.413 4.308 ( 0.000 -0.593 0.000) 0.593 4.327 ( 0.000 -1.227 -0.000) 1.227 4.342 ( 0.000 -2.078 0.000) 2.078 4.386 ( 0.000 1.958 -0.000) 1.958 4.456 ( -0.000 0.082 0.000) 0.082 4.728 ( 0.000 1.958 -0.000) 1.958 4.756 ( 0.000 0.665 0.000) 0.665 4.819 ( 0.000 3.668 0.000) 3.668 4.941 ( 0.000 -0.500 0.000) 0.500 5.076 ( -0.000 8.772 0.000) 8.772 5.155 ( 0.000 4.915 -0.000) 4.915 5.253 ( 0.000 2.100 -0.000) 2.100 5.279 ( -0.000 0.394 0.000) 0.394 5.302 ( -0.000 -0.845 -0.000) 0.845 5.385 ( -0.000 -2.740 -0.000) 2.740 5.552 ( 0.000 0.920 0.000) 0.920 5.616 ( 0.000 -3.204 0.000) 3.204 9.256 ( 0.000 0.653 0.000) 0.653 9.262 ( -0.000 0.614 -0.000) 0.614 9.294 ( 0.000 0.745 -0.000) 0.745 9.310 ( 0.000 0.857 0.000) 0.857 9.357 ( -0.000 0.323 0.000) 0.323 9.360 ( 0.000 0.071 -0.000) 0.071 9.422 ( 0.000 3.390 -0.000) 3.390 9.423 ( -0.000 -0.217 0.000) 0.217 9.488 ( 0.000 -2.648 0.000) 2.648 9.552 ( 0.000 -0.841 -0.000) 0.841 9.580 ( -0.000 -1.269 -0.000) 1.269 9.611 ( 0.000 -2.606 0.000) 2.606 9.651 ( -0.000 -0.599 0.000) 0.599 9.697 ( 0.000 -1.035 -0.000) 1.035 9.859 ( 0.000 3.602 0.000) 3.602 9.913 ( 0.000 0.817 -0.000) 0.817 ======================= Grid point 21 (13/40) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 -2.524 0.000) 2.524 0.555 ( 0.000 2.524 0.000) 2.524 0.598 ( 0.000 -1.229 0.000) 1.229 0.598 ( 0.000 1.229 0.000) 1.229 0.618 ( 0.000 -4.511 0.000) 4.511 0.618 ( 0.000 4.511 0.000) 4.511 0.698 ( 0.000 -4.531 0.000) 4.531 0.698 ( 0.000 4.531 0.000) 4.531 0.763 ( 0.000 -3.348 0.000) 3.348 0.763 ( 0.000 3.348 0.000) 3.348 0.824 ( 0.000 -1.357 0.000) 1.357 0.824 ( 0.000 1.357 0.000) 1.357 0.918 ( 0.000 -0.625 0.000) 0.625 0.918 ( 0.000 0.625 0.000) 0.625 0.944 ( 0.000 -1.552 0.000) 1.552 0.944 ( 0.000 1.552 0.000) 1.552 0.975 ( 0.000 -2.389 0.000) 2.389 0.975 ( 0.000 2.389 0.000) 2.389 1.069 ( 0.000 -3.274 0.000) 3.274 1.069 ( 0.000 3.274 0.000) 3.274 1.121 ( 0.000 -0.722 0.000) 0.722 1.121 ( 0.000 0.722 0.000) 0.722 1.140 ( 0.000 -2.118 0.000) 2.118 1.140 ( 0.000 2.118 0.000) 2.118 1.192 ( 0.000 -3.050 0.000) 3.050 1.192 ( 0.000 3.050 0.000) 3.050 1.281 ( 0.000 -5.033 0.000) 5.033 1.281 ( 0.000 5.033 0.000) 5.033 1.307 ( 0.000 -4.256 0.000) 4.256 1.307 ( 0.000 4.256 0.000) 4.256 1.361 ( 0.000 -2.238 0.000) 2.238 1.361 ( 0.000 2.238 0.000) 2.238 1.390 ( 0.000 -1.240 0.000) 1.240 1.390 ( 0.000 1.240 0.000) 1.240 1.517 ( 0.000 -2.983 0.000) 2.983 1.517 ( 0.000 2.983 0.000) 2.983 1.586 ( 0.000 -1.357 0.000) 1.357 1.586 ( 0.000 1.357 0.000) 1.357 1.637 ( 0.000 -1.849 0.000) 1.849 1.637 ( 0.000 1.849 0.000) 1.849 1.667 ( 0.000 -1.623 0.000) 1.623 1.667 ( 0.000 1.623 0.000) 1.623 1.677 ( 0.000 -0.015 0.000) 0.015 1.677 ( 0.000 0.015 0.000) 0.015 1.825 ( 0.000 -0.610 0.000) 0.610 1.825 ( 0.000 0.610 0.000) 0.610 1.901 ( 0.000 -0.044 0.000) 0.044 1.901 ( 0.000 0.044 0.000) 0.044 2.327 ( 0.000 -2.951 0.000) 2.951 2.327 ( 0.000 2.951 0.000) 2.951 2.331 ( 0.000 -2.657 0.000) 2.657 2.331 ( 0.000 2.657 0.000) 2.657 2.480 ( 0.000 -0.930 0.000) 0.930 2.480 ( 0.000 0.930 0.000) 0.930 2.546 ( 0.000 -0.243 0.000) 0.243 2.546 ( 0.000 0.243 0.000) 0.243 2.596 ( 0.000 -1.205 0.000) 1.205 2.596 ( 0.000 1.205 0.000) 1.205 2.674 ( 0.000 -3.519 0.000) 3.519 2.674 ( 0.000 3.519 0.000) 3.519 2.810 ( 0.000 -2.440 0.000) 2.440 2.810 ( 0.000 2.440 0.000) 2.440 2.957 ( 0.000 -3.807 0.000) 3.807 2.957 ( 0.000 3.807 0.000) 3.807 3.384 ( 0.000 -0.205 0.000) 0.205 3.384 ( 0.000 0.205 0.000) 0.205 3.563 ( 0.000 -3.151 0.000) 3.151 3.563 ( 0.000 3.151 0.000) 3.151 3.674 ( 0.000 -0.173 0.000) 0.173 3.674 ( 0.000 0.173 0.000) 0.173 3.939 ( 0.000 -0.531 0.000) 0.531 3.939 ( 0.000 0.531 0.000) 0.531 4.202 ( 0.000 -1.476 0.000) 1.476 4.202 ( 0.000 1.476 0.000) 1.476 4.269 ( 0.000 -0.487 0.000) 0.487 4.269 ( 0.000 0.487 0.000) 0.487 4.355 ( 0.000 -1.776 0.000) 1.776 4.355 ( 0.000 1.776 0.000) 1.776 4.480 ( 0.000 -2.351 0.000) 2.351 4.480 ( 0.000 2.351 0.000) 2.351 4.660 ( 0.000 -3.923 0.000) 3.923 4.660 ( 0.000 3.923 0.000) 3.923 4.796 ( 0.000 -1.663 0.000) 1.663 4.796 ( 0.000 1.663 0.000) 1.663 4.977 ( 0.000 -1.968 0.000) 1.968 4.977 ( 0.000 1.968 0.000) 1.968 5.195 ( 0.000 -1.699 0.000) 1.699 5.195 ( 0.000 1.699 0.000) 1.699 5.348 ( 0.000 -5.439 0.000) 5.439 5.348 ( 0.000 5.439 0.000) 5.439 5.668 ( 0.000 -5.334 0.000) 5.334 5.668 ( 0.000 5.334 0.000) 5.334 9.241 ( 0.000 -0.716 0.000) 0.716 9.241 ( 0.000 0.716 0.000) 0.716 9.321 ( 0.000 -1.206 0.000) 1.206 9.321 ( 0.000 1.206 0.000) 1.206 9.346 ( 0.000 -0.140 0.000) 0.140 9.346 ( 0.000 0.140 0.000) 0.140 9.381 ( 0.000 -3.336 0.000) 3.336 9.381 ( 0.000 3.336 0.000) 3.336 9.504 ( 0.000 -0.829 0.000) 0.829 9.504 ( 0.000 0.829 0.000) 0.829 9.582 ( 0.000 -0.747 0.000) 0.747 9.582 ( 0.000 0.747 0.000) 0.747 9.652 ( 0.000 -1.207 0.000) 1.207 9.652 ( 0.000 1.207 0.000) 1.207 9.944 ( 0.000 -2.394 0.000) 2.394 9.944 ( 0.000 2.394 0.000) 2.394 ======================= Grid point 23 (14/40) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -3.478 -2.960 0.360) 4.581 0.494 ( -3.478 2.960 0.360) 4.581 0.600 ( 0.721 -2.833 -0.952) 3.074 0.600 ( 0.721 2.833 -0.952) 3.074 0.612 ( -0.658 -2.859 0.700) 3.016 0.612 ( -0.658 2.859 0.700) 3.016 0.695 ( 0.060 -2.273 0.964) 2.470 0.695 ( 0.060 2.273 0.964) 2.470 0.773 ( 1.395 -3.652 -0.953) 4.023 0.773 ( 1.395 3.652 -0.953) 4.023 0.870 ( 2.849 -1.809 0.493) 3.410 0.870 ( 2.849 1.809 0.493) 3.410 0.923 ( 0.073 -2.740 -1.129) 2.964 0.923 ( 0.073 2.740 -1.129) 2.964 0.947 ( 1.114 -3.028 -1.236) 3.455 0.947 ( 1.114 3.028 -1.236) 3.455 1.036 ( 3.090 -2.622 0.563) 4.091 1.036 ( 3.090 2.622 0.563) 4.091 1.083 ( 0.111 -2.640 0.650) 2.721 1.083 ( 0.111 2.640 0.650) 2.721 1.114 ( -1.028 -0.513 -0.346) 1.200 1.114 ( -1.028 0.513 -0.346) 1.200 1.143 ( 0.814 -1.485 -0.463) 1.755 1.143 ( 0.814 1.485 -0.463) 1.755 1.192 ( -0.472 -0.400 1.596) 1.712 1.192 ( -0.472 0.400 1.596) 1.712 1.233 ( -2.885 -3.182 -0.142) 4.298 1.233 ( -2.885 3.182 -0.142) 4.298 1.310 ( -0.478 -0.621 0.383) 0.872 1.310 ( -0.478 0.621 0.383) 0.872 1.376 ( 1.850 -1.765 -1.393) 2.912 1.376 ( 1.850 1.765 -1.393) 2.912 1.400 ( -0.693 -0.331 1.298) 1.509 1.400 ( -0.693 0.331 1.298) 1.509 1.488 ( -0.245 -2.938 0.343) 2.968 1.488 ( -0.245 2.938 0.343) 2.968 1.588 ( -1.488 -1.693 0.675) 2.353 1.588 ( -1.488 1.693 0.675) 2.353 1.620 ( -0.505 -2.235 -0.467) 2.338 1.620 ( -0.505 2.235 -0.467) 2.338 1.663 ( 1.324 -1.319 -0.144) 1.874 1.663 ( 1.324 1.319 -0.144) 1.874 1.722 ( 1.954 -0.775 0.714) 2.221 1.722 ( 1.954 0.775 0.714) 2.221 1.852 ( 2.498 -1.778 -0.987) 3.221 1.852 ( 2.498 1.778 -0.987) 3.221 1.895 ( -0.086 -0.905 -0.308) 0.960 1.895 ( -0.086 0.905 -0.308) 0.960 2.310 ( -0.546 -0.774 -1.189) 1.519 2.310 ( -0.546 0.774 -1.189) 1.519 2.363 ( 1.316 -3.383 1.169) 3.814 2.363 ( 1.316 3.383 1.169) 3.814 2.480 ( -0.383 -0.979 2.009) 2.268 2.480 ( -0.383 0.979 2.009) 2.268 2.537 ( -0.844 -1.209 -2.436) 2.847 2.537 ( -0.844 1.209 -2.436) 2.847 2.591 ( 0.180 -1.406 0.513) 1.507 2.591 ( 0.180 1.406 0.513) 1.507 2.665 ( -1.246 -3.298 0.270) 3.535 2.665 ( -1.246 3.298 0.270) 3.535 2.815 ( 0.260 -2.808 0.316) 2.837 2.815 ( 0.260 2.808 0.316) 2.837 2.944 ( -0.807 -3.240 -0.831) 3.441 2.944 ( -0.807 3.240 -0.831) 3.441 3.331 ( -4.396 -0.754 -0.034) 4.461 3.331 ( -4.396 0.754 -0.034) 4.461 3.515 ( -4.702 -3.182 0.136) 5.679 3.515 ( -4.702 3.182 0.136) 5.679 3.683 ( 0.788 -0.640 0.117) 1.022 3.683 ( 0.788 0.641 0.117) 1.022 3.915 ( -1.895 -0.907 0.086) 2.103 3.915 ( -1.895 0.907 0.086) 2.103 4.182 ( -1.385 -1.199 -0.297) 1.856 4.182 ( -1.385 1.199 -0.297) 1.856 4.268 ( 0.143 -0.603 -0.081) 0.625 4.268 ( 0.143 0.603 -0.081) 0.625 4.348 ( -1.193 -1.428 1.497) 2.388 4.348 ( -1.193 1.428 1.497) 2.388 4.473 ( -1.530 -1.916 -0.580) 2.520 4.473 ( -1.530 1.916 -0.580) 2.520 4.646 ( 1.875 -0.944 -0.701) 2.213 4.646 ( 1.875 0.944 -0.701) 2.213 4.844 ( 2.689 -3.424 0.491) 4.382 4.844 ( 2.689 3.424 0.491) 4.382 5.058 ( 6.103 -3.515 1.504) 7.202 5.058 ( 6.103 3.515 1.504) 7.202 5.221 ( 2.464 -2.000 -1.340) 3.445 5.221 ( 2.464 2.000 -1.340) 3.445 5.324 ( -1.873 -4.567 -0.196) 4.940 5.324 ( -1.873 4.567 -0.196) 4.940 5.645 ( -1.948 -4.300 -0.311) 4.731 5.645 ( -1.948 4.300 -0.311) 4.731 9.247 ( 0.475 -0.735 0.239) 0.908 9.247 ( 0.475 0.735 0.239) 0.908 9.319 ( -0.223 -1.044 0.063) 1.070 9.319 ( -0.223 1.044 0.063) 1.070 9.346 ( 0.526 -1.247 -0.827) 1.586 9.346 ( 0.526 1.247 -0.827) 1.586 9.410 ( 1.707 -2.864 1.618) 3.706 9.410 ( 1.707 2.864 1.618) 3.706 9.495 ( -0.655 -0.842 -1.110) 1.540 9.495 ( -0.655 0.842 -1.110) 1.540 9.578 ( 0.124 -1.979 -0.142) 1.988 9.578 ( 0.124 1.979 -0.142) 1.988 9.659 ( 0.458 -1.343 -0.024) 1.419 9.659 ( 0.458 1.343 -0.024) 1.419 9.930 ( -1.133 -2.277 -0.023) 2.543 9.930 ( -1.133 2.277 -0.023) 2.543 ======================= Grid point 25 (15/40) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 1.894 -1.135 -0.025) 2.209 0.477 ( 1.894 1.135 -0.025) 2.209 0.618 ( 1.976 -0.299 -1.476) 2.485 0.618 ( 1.976 0.299 -1.476) 2.485 0.634 ( 1.753 -0.875 0.364) 1.993 0.634 ( 1.753 0.875 0.364) 1.993 0.717 ( 1.520 -0.893 0.760) 1.919 0.717 ( 1.520 0.893 0.760) 1.919 0.799 ( 1.297 -3.953 -0.796) 4.235 0.799 ( 1.297 3.953 -0.796) 4.235 0.885 ( -2.401 -3.650 -0.290) 4.378 0.885 ( -2.401 3.650 -0.290) 4.378 0.904 ( -1.414 -2.513 0.084) 2.885 0.904 ( -1.414 2.513 0.084) 2.885 0.955 ( -0.068 -1.892 0.040) 1.894 0.955 ( -0.068 1.892 0.040) 1.894 1.036 ( -3.004 -1.313 0.838) 3.384 1.036 ( -3.004 1.313 0.838) 3.384 1.065 ( -0.985 -2.651 -3.428) 4.444 1.065 ( -0.985 2.651 -3.428) 4.444 1.090 ( -0.631 -1.991 0.426) 2.131 1.090 ( -0.631 1.991 0.426) 2.131 1.140 ( -0.581 -1.809 0.007) 1.900 1.140 ( -0.581 1.809 0.007) 1.900 1.176 ( 0.632 -0.785 1.347) 1.682 1.176 ( 0.632 0.785 1.347) 1.682 1.238 ( -0.771 -1.028 1.275) 1.810 1.238 ( -0.771 1.028 1.275) 1.810 1.312 ( 1.770 -0.373 -0.717) 1.946 1.312 ( 1.770 0.373 -0.717) 1.946 1.365 ( -1.240 -3.033 0.287) 3.289 1.365 ( -1.240 3.033 0.287) 3.289 1.416 ( 1.638 -1.213 -0.288) 2.059 1.416 ( 1.638 1.213 -0.288) 2.059 1.508 ( -0.361 -2.093 0.739) 2.249 1.508 ( -0.361 2.093 0.739) 2.249 1.567 ( 0.970 -2.478 0.363) 2.685 1.567 ( 0.970 2.478 0.363) 2.685 1.621 ( 0.027 -2.587 -0.979) 2.766 1.621 ( 0.027 2.587 -0.979) 2.766 1.698 ( 2.078 -1.491 -0.011) 2.558 1.698 ( 2.078 1.491 -0.011) 2.558 1.749 ( 0.228 -0.454 0.769) 0.921 1.749 ( 0.228 0.454 0.769) 0.921 1.876 ( 0.452 -0.440 -1.105) 1.272 1.876 ( 0.452 0.440 -1.105) 1.272 1.926 ( 2.122 -1.482 1.138) 2.828 1.926 ( 2.122 1.482 1.138) 2.828 2.288 ( -0.900 -1.641 -0.932) 2.091 2.288 ( -0.900 1.641 -0.932) 2.091 2.379 ( -0.024 -2.425 -0.844) 2.568 2.379 ( -0.024 2.425 -0.844) 2.568 2.471 ( -0.803 -0.532 1.496) 1.779 2.471 ( -0.803 0.532 1.496) 1.779 2.531 ( 0.715 -2.113 -0.287) 2.249 2.531 ( 0.715 2.113 -0.287) 2.249 2.585 ( -1.155 -1.796 0.689) 2.244 2.585 ( -1.155 1.796 0.689) 2.244 2.635 ( -1.338 -3.100 0.008) 3.376 2.635 ( -1.338 3.100 0.008) 3.376 2.817 ( -0.151 -2.420 -0.142) 2.429 2.817 ( -0.151 2.420 -0.142) 2.429 2.928 ( -0.241 -1.272 -0.721) 1.482 2.928 ( -0.241 1.272 -0.721) 1.482 3.247 ( -2.949 -1.607 -0.039) 3.359 3.247 ( -2.949 1.607 -0.039) 3.359 3.405 ( -4.900 -2.859 0.051) 5.674 3.405 ( -4.900 2.859 0.051) 5.674 3.700 ( 0.664 -1.336 0.159) 1.500 3.700 ( 0.664 1.336 0.159) 1.500 3.879 ( -1.500 -1.034 0.134) 1.826 3.879 ( -1.500 1.034 0.134) 1.826 4.149 ( -1.630 -1.140 -0.607) 2.079 4.149 ( -1.630 1.140 -0.607) 2.079 4.276 ( 0.285 -0.803 0.531) 1.004 4.276 ( 0.285 0.803 0.531) 1.004 4.327 ( -0.627 -1.440 0.720) 1.727 4.327 ( -0.627 1.440 0.720) 1.727 4.443 ( -0.834 -2.430 -0.732) 2.671 4.443 ( -0.834 2.430 -0.732) 2.671 4.715 ( 3.744 -0.235 -0.749) 3.826 4.715 ( 3.744 0.235 -0.749) 3.826 4.885 ( 0.800 -3.763 1.397) 4.093 4.885 ( 0.800 3.763 1.397) 4.093 5.179 ( 3.898 -4.396 1.541) 6.074 5.179 ( 3.898 4.396 1.541) 6.074 5.252 ( -0.027 -2.605 0.039) 2.606 5.252 ( -0.027 2.605 0.039) 2.606 5.306 ( 1.771 -2.085 -2.397) 3.637 5.306 ( 1.771 2.085 -2.397) 3.637 5.598 ( -2.318 -1.775 0.233) 2.928 5.598 ( -2.318 1.775 0.233) 2.928 9.260 ( 0.616 -0.696 0.115) 0.937 9.260 ( 0.616 0.696 0.115) 0.937 9.312 ( -0.409 -0.858 0.440) 1.048 9.312 ( -0.409 0.858 0.440) 1.048 9.359 ( 0.874 -0.668 -1.389) 1.772 9.359 ( 0.874 0.668 -1.389) 1.772 9.438 ( 0.056 -1.581 0.621) 1.700 9.438 ( 0.056 1.581 0.621) 1.700 9.488 ( 0.899 -2.906 -0.393) 3.067 9.488 ( 0.899 2.906 -0.393) 3.067 9.578 ( -0.299 -1.568 -0.326) 1.629 9.578 ( -0.299 1.568 -0.326) 1.629 9.667 ( 0.054 -1.529 0.558) 1.629 9.667 ( 0.054 1.529 0.558) 1.629 9.912 ( -0.437 -1.765 0.241) 1.834 9.912 ( -0.437 1.765 0.241) 1.834 ======================= Grid point 27 (16/40) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 0.000 -0.691 0.000) 0.691 0.518 ( 0.000 0.691 0.000) 0.691 0.640 ( 0.000 -4.655 0.000) 4.655 0.640 ( 0.000 4.655 -0.000) 4.655 0.657 ( 0.000 -1.964 0.000) 1.964 0.657 ( 0.000 1.964 0.000) 1.964 0.749 ( 0.000 -2.644 0.000) 2.644 0.749 ( 0.000 2.644 0.000) 2.644 0.813 ( 0.000 -3.190 0.000) 3.190 0.813 ( 0.000 3.190 -0.000) 3.190 0.836 ( 0.000 -0.309 -0.000) 0.309 0.836 ( 0.000 0.309 0.000) 0.309 0.866 ( 0.000 -3.942 0.000) 3.942 0.866 ( 0.000 3.942 0.000) 3.942 0.963 ( 0.000 -0.229 0.000) 0.229 0.963 ( 0.000 0.229 0.000) 0.229 0.988 ( 0.000 -0.975 0.000) 0.975 0.988 ( -0.000 0.975 0.000) 0.975 1.043 ( 0.000 -1.567 -0.000) 1.567 1.043 ( 0.000 1.567 -0.000) 1.567 1.089 ( 0.000 -1.739 0.000) 1.739 1.089 ( 0.000 1.739 0.000) 1.739 1.173 ( 0.000 -0.766 -0.000) 0.766 1.173 ( 0.000 0.766 -0.000) 0.766 1.180 ( -0.000 -0.343 0.000) 0.343 1.180 ( -0.000 0.343 0.000) 0.343 1.191 ( 0.000 -1.717 0.000) 1.717 1.191 ( 0.000 1.717 0.000) 1.717 1.338 ( 0.000 -2.976 0.000) 2.976 1.338 ( 0.000 2.976 0.000) 2.976 1.370 ( 0.000 -0.604 0.000) 0.604 1.370 ( 0.000 0.604 0.000) 0.604 1.427 ( 0.000 -0.234 0.000) 0.234 1.427 ( 0.000 0.234 0.000) 0.234 1.499 ( 0.000 -1.724 -0.000) 1.724 1.499 ( 0.000 1.724 -0.000) 1.724 1.588 ( 0.000 -0.562 0.000) 0.562 1.588 ( 0.000 0.562 0.000) 0.562 1.616 ( 0.000 -1.777 0.000) 1.777 1.616 ( 0.000 1.777 0.000) 1.777 1.729 ( 0.000 -2.452 0.000) 2.452 1.729 ( 0.000 2.452 0.000) 2.452 1.746 ( 0.000 -1.893 0.000) 1.893 1.746 ( 0.000 1.893 -0.000) 1.893 1.877 ( 0.000 -0.801 -0.000) 0.801 1.877 ( 0.000 0.801 -0.000) 0.801 1.952 ( 0.000 -0.051 0.000) 0.051 1.952 ( 0.000 0.051 0.000) 0.051 2.275 ( 0.000 -1.751 -0.000) 1.751 2.275 ( 0.000 1.751 0.000) 1.751 2.371 ( 0.000 -1.257 0.000) 1.257 2.371 ( 0.000 1.257 0.000) 1.257 2.472 ( 0.000 -0.161 0.000) 0.161 2.472 ( 0.000 0.161 0.000) 0.161 2.532 ( 0.000 -0.464 0.000) 0.464 2.532 ( 0.000 0.464 0.000) 0.464 2.578 ( 0.000 -1.712 -0.000) 1.712 2.578 ( 0.000 1.712 -0.000) 1.712 2.617 ( 0.000 -2.035 0.000) 2.035 2.617 ( 0.000 2.035 0.000) 2.035 2.813 ( 0.000 -2.031 0.000) 2.031 2.813 ( 0.000 2.031 0.000) 2.031 2.925 ( 0.000 -0.093 0.000) 0.093 2.925 ( 0.000 0.093 -0.000) 0.093 3.219 ( 0.000 -2.244 0.000) 2.244 3.219 ( 0.000 2.244 0.000) 2.244 3.350 ( 0.000 -2.574 0.000) 2.574 3.350 ( 0.000 2.574 -0.000) 2.574 3.708 ( 0.000 -1.533 0.000) 1.533 3.708 ( 0.000 1.533 0.000) 1.533 3.862 ( 0.000 -0.712 0.000) 0.712 3.862 ( 0.000 0.712 0.000) 0.712 4.126 ( 0.000 -1.410 -0.000) 1.410 4.126 ( 0.000 1.410 0.000) 1.410 4.281 ( 0.000 -0.573 0.000) 0.573 4.281 ( 0.000 0.573 0.000) 0.573 4.328 ( 0.000 -0.274 0.000) 0.274 4.328 ( 0.000 0.274 -0.000) 0.274 4.431 ( 0.000 -2.118 0.000) 2.118 4.431 ( 0.000 2.118 0.000) 2.118 4.755 ( 0.000 -0.683 0.000) 0.683 4.755 ( 0.000 0.683 -0.000) 0.683 4.896 ( 0.000 -3.366 0.000) 3.366 4.896 ( 0.000 3.366 0.000) 3.366 5.214 ( -0.000 -3.266 0.000) 3.266 5.214 ( 0.000 3.266 0.000) 3.266 5.252 ( 0.000 -0.913 0.000) 0.913 5.252 ( 0.000 0.913 0.000) 0.913 5.331 ( 0.000 -2.813 -0.000) 2.813 5.331 ( 0.000 2.813 -0.000) 2.813 5.570 ( 0.000 -1.198 0.000) 1.198 5.570 ( 0.000 1.198 0.000) 1.198 9.267 ( 0.000 -0.208 -0.000) 0.208 9.267 ( 0.000 0.208 0.000) 0.208 9.310 ( 0.000 -0.671 0.000) 0.671 9.310 ( 0.000 0.671 0.000) 0.671 9.362 ( 0.000 -0.023 0.000) 0.023 9.362 ( 0.000 0.023 0.000) 0.023 9.437 ( 0.000 -1.708 0.000) 1.708 9.437 ( 0.000 1.708 0.000) 1.708 9.504 ( 0.000 -3.798 0.000) 3.798 9.504 ( 0.000 3.798 0.000) 3.798 9.570 ( 0.000 -1.047 -0.000) 1.047 9.570 ( 0.000 1.047 -0.000) 1.047 9.667 ( 0.000 -1.577 0.000) 1.577 9.667 ( 0.000 1.577 0.000) 1.577 9.911 ( 0.000 -1.273 -0.000) 1.273 9.911 ( 0.000 1.273 0.000) 1.273 ======================= Grid point 49 (17/40) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 1.928 0.000 10.076) 10.259 0.305 ( -0.210 0.000 11.169) 11.171 0.443 ( -1.050 0.000 -6.542) 6.626 0.477 ( 1.472 0.000 -3.556) 3.849 0.487 ( 3.680 0.000 19.319) 19.666 0.632 ( -1.654 0.000 0.542) 1.740 0.633 ( 1.200 0.000 0.833) 1.461 0.771 ( -2.283 0.000 0.287) 2.301 0.773 ( 1.411 0.000 -0.804) 1.624 0.790 ( -1.532 0.000 -3.980) 4.265 0.803 ( 1.274 0.000 2.157) 2.505 0.870 ( -1.371 0.000 -4.218) 4.435 0.885 ( -1.145 0.000 2.953) 3.167 0.955 ( 2.266 0.000 -1.787) 2.886 0.976 ( -0.847 0.000 -1.190) 1.460 1.005 ( -2.150 0.000 -2.114) 3.015 1.016 ( 0.652 0.000 3.000) 3.070 1.051 ( -0.136 0.000 -1.773) 1.779 1.053 ( -1.143 0.000 0.353) 1.197 1.067 ( 2.434 0.000 0.359) 2.460 1.084 ( -1.727 0.000 -4.518) 4.837 1.123 ( -1.270 0.000 0.862) 1.535 1.142 ( 2.163 0.000 -1.195) 2.471 1.165 ( -0.772 0.000 -6.803) 6.847 1.216 ( 1.154 0.000 -0.379) 1.215 1.229 ( 0.226 0.000 -0.801) 0.832 1.248 ( -1.380 0.000 1.754) 2.232 1.295 ( -2.184 0.000 -1.159) 2.473 1.295 ( 2.425 0.000 1.668) 2.943 1.318 ( -0.338 0.000 2.068) 2.096 1.320 ( 0.508 0.000 0.188) 0.542 1.360 ( 0.499 0.000 3.904) 3.935 1.361 ( 1.031 0.000 -3.669) 3.811 1.415 ( 3.825 0.000 1.742) 4.203 1.439 ( -1.001 0.000 -2.568) 2.756 1.447 ( -3.002 0.000 -1.107) 3.200 1.512 ( 0.176 0.000 1.731) 1.740 1.524 ( -0.144 0.000 0.561) 0.579 1.631 ( -0.643 0.000 1.560) 1.687 1.644 ( -0.842 0.000 1.523) 1.740 1.668 ( -0.545 0.000 0.533) 0.762 1.679 ( 2.842 0.000 -1.298) 3.125 1.752 ( 1.755 0.000 0.649) 1.871 1.756 ( -1.587 0.000 0.572) 1.687 1.866 ( 1.179 0.000 0.133) 1.187 1.873 ( -1.769 0.000 -0.531) 1.847 1.886 ( -0.617 0.000 1.728) 1.835 1.932 ( 0.101 0.000 -1.176) 1.180 2.199 ( -2.110 0.000 0.471) 2.162 2.260 ( 1.259 0.000 -3.381) 3.608 2.350 ( 1.804 0.000 2.947) 3.456 2.391 ( 3.381 0.000 0.742) 3.461 2.443 ( -10.245 0.000 -1.054) 10.299 2.453 ( 0.839 0.000 0.016) 0.839 2.503 ( 2.439 0.000 1.101) 2.676 2.541 ( -1.773 0.000 3.292) 3.739 2.559 ( -2.245 0.000 0.184) 2.252 2.560 ( -0.398 0.000 -1.650) 1.698 2.622 ( 7.167 0.000 -1.827) 7.396 2.625 ( -2.012 0.000 -2.266) 3.031 3.161 ( -1.173 0.000 3.274) 3.478 3.167 ( -0.710 0.000 2.405) 2.508 3.226 ( -0.140 0.000 -2.345) 2.349 3.242 ( 1.842 0.000 -2.761) 3.319 3.313 ( 0.128 0.000 2.096) 2.100 3.405 ( 1.010 0.000 -4.998) 5.099 3.608 ( -1.028 0.000 2.334) 2.551 3.618 ( -1.458 0.000 1.138) 1.850 3.758 ( 0.646 0.000 0.754) 0.993 3.809 ( 0.466 0.000 -3.509) 3.540 3.939 ( 0.258 0.000 1.222) 1.249 3.964 ( -0.451 0.000 -1.282) 1.359 4.241 ( 0.582 0.000 0.933) 1.100 4.257 ( 0.427 0.000 -0.774) 0.884 4.333 ( 0.350 0.000 3.648) 3.665 4.341 ( -0.215 0.000 0.072) 0.227 4.352 ( -2.625 0.000 1.404) 2.977 4.467 ( 3.742 0.000 -4.361) 5.746 4.540 ( -8.626 0.000 0.443) 8.638 4.579 ( 1.626 0.000 -2.659) 3.116 4.615 ( -1.174 0.000 1.641) 2.018 4.663 ( 3.585 0.000 -1.713) 3.973 4.742 ( -1.788 0.000 2.160) 2.804 4.748 ( -1.930 0.000 1.567) 2.486 4.836 ( -0.407 0.000 2.731) 2.761 4.894 ( 1.167 0.000 -1.906) 2.235 5.067 ( 5.095 0.000 -0.999) 5.192 5.070 ( -6.855 0.000 -1.271) 6.972 5.253 ( 6.360 0.000 1.197) 6.471 5.293 ( -3.977 0.000 -1.884) 4.401 5.577 ( 0.919 0.000 0.873) 1.267 5.584 ( -1.242 0.000 0.218) 1.261 9.214 ( 0.047 0.000 0.366) 0.369 9.222 ( 0.411 0.000 -0.040) 0.413 9.262 ( -0.548 0.000 0.787) 0.959 9.264 ( 0.510 0.000 0.575) 0.768 9.362 ( -0.838 0.000 1.662) 1.861 9.409 ( 0.728 0.000 -0.495) 0.881 9.427 ( -1.932 0.000 -0.075) 1.934 9.427 ( 0.154 0.000 -1.265) 1.274 9.494 ( 3.400 0.000 0.103) 3.401 9.521 ( -2.077 0.000 -2.424) 3.193 9.625 ( 0.622 0.000 -0.081) 0.627 9.626 ( 3.155 0.000 -0.006) 3.155 9.727 ( 2.638 0.000 0.996) 2.820 9.729 ( -1.412 0.000 0.329) 1.450 9.764 ( -3.572 0.000 0.113) 3.574 9.773 ( -0.819 0.000 -0.350) 0.891 ======================= Grid point 50 (18/40) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 4.261 0.000 7.005) 8.199 0.396 ( 6.963 0.000 6.747) 9.696 0.437 ( 3.147 0.000 -5.374) 6.228 0.511 ( 2.562 0.000 -8.875) 9.238 0.644 ( 2.226 0.000 1.125) 2.494 0.673 ( -0.402 0.000 0.785) 0.882 0.698 ( 2.008 0.000 3.147) 3.734 0.754 ( 0.779 0.000 -0.129) 0.790 0.766 ( 3.311 0.000 7.350) 8.061 0.798 ( -0.021 0.000 -2.498) 2.498 0.810 ( -1.807 0.000 -5.240) 5.542 0.851 ( 1.508 0.000 1.473) 2.108 0.874 ( 0.265 0.000 -1.308) 1.334 0.913 ( -4.812 0.000 -0.125) 4.814 0.940 ( -1.699 0.000 -1.644) 2.364 0.957 ( 1.283 0.000 6.233) 6.363 0.986 ( -3.346 0.000 -1.033) 3.502 0.998 ( -4.636 0.000 -0.652) 4.682 1.017 ( -2.644 0.000 0.926) 2.802 1.037 ( -0.021 0.000 -2.094) 2.094 1.084 ( -1.481 0.000 -0.015) 1.481 1.100 ( -1.777 0.000 -0.336) 1.809 1.108 ( -0.320 0.000 1.505) 1.539 1.128 ( -0.846 0.000 -2.291) 2.443 1.137 ( -2.916 0.000 0.431) 2.948 1.170 ( 0.430 0.000 -5.814) 5.830 1.287 ( 1.328 0.000 -0.173) 1.339 1.290 ( -2.770 0.000 2.178) 3.523 1.326 ( 0.161 0.000 1.648) 1.655 1.358 ( 1.372 0.000 -2.326) 2.700 1.389 ( -0.943 0.000 -1.144) 1.482 1.401 ( 2.796 0.000 1.336) 3.099 1.405 ( 0.872 0.000 -1.102) 1.405 1.444 ( 2.948 0.000 -2.461) 3.840 1.446 ( 6.476 0.000 1.232) 6.592 1.484 ( 0.736 0.000 0.679) 1.001 1.518 ( -0.504 0.000 0.061) 0.508 1.529 ( 0.795 0.000 -0.173) 0.814 1.594 ( -2.442 0.000 0.093) 2.443 1.641 ( 0.407 0.000 1.062) 1.137 1.668 ( 0.256 0.000 0.989) 1.021 1.695 ( -1.554 0.000 -0.198) 1.567 1.716 ( -1.428 0.000 -0.604) 1.550 1.778 ( 0.099 0.000 -0.252) 0.271 1.825 ( -1.393 0.000 0.332) 1.432 1.880 ( -0.308 0.000 0.114) 0.328 1.892 ( 0.493 0.000 2.124) 2.180 1.921 ( -0.567 0.000 -0.995) 1.145 2.172 ( -1.266 0.000 2.743) 3.021 2.275 ( 1.570 0.000 -1.749) 2.350 2.310 ( -2.510 0.000 0.119) 2.513 2.360 ( 0.263 0.000 0.523) 0.586 2.448 ( 0.399 0.000 1.294) 1.354 2.484 ( -3.436 0.000 1.099) 3.608 2.512 ( 0.649 0.000 -2.697) 2.774 2.544 ( 3.782 0.000 1.997) 4.277 2.591 ( 2.114 0.000 3.067) 3.725 2.600 ( 3.180 0.000 0.623) 3.241 2.610 ( 3.693 0.000 -1.472) 3.975 2.731 ( 2.946 0.000 -4.613) 5.474 3.123 ( -3.725 0.000 2.137) 4.294 3.153 ( -5.669 0.000 -0.130) 5.671 3.156 ( -1.309 0.000 1.227) 1.795 3.217 ( -3.334 0.000 -3.149) 4.586 3.305 ( -1.541 0.000 3.663) 3.974 3.398 ( 0.829 0.000 -5.822) 5.881 3.545 ( -4.913 0.000 0.270) 4.920 3.552 ( -4.575 0.000 3.322) 5.654 3.765 ( -0.480 0.000 -0.096) 0.490 3.786 ( -0.963 0.000 -1.907) 2.136 3.950 ( -0.226 0.000 1.440) 1.458 3.954 ( 0.176 0.000 -0.603) 0.628 4.192 ( -2.900 0.000 1.518) 3.273 4.223 ( -2.069 0.000 1.607) 2.620 4.290 ( -2.416 0.000 2.136) 3.225 4.334 ( -0.298 0.000 -0.357) 0.465 4.366 ( -2.767 0.000 -0.567) 2.824 4.367 ( 0.935 0.000 -0.078) 0.939 4.517 ( -3.668 0.000 -2.740) 4.578 4.576 ( 4.762 0.000 -3.985) 6.209 4.647 ( 1.374 0.000 1.240) 1.851 4.666 ( -2.046 0.000 -0.335) 2.073 4.747 ( -7.127 0.000 1.291) 7.243 4.842 ( 1.245 0.000 2.632) 2.911 4.859 ( 3.041 0.000 3.267) 4.463 4.912 ( 5.649 0.000 -1.205) 5.776 5.030 ( 2.814 0.000 -4.694) 5.473 5.102 ( -0.955 0.000 1.343) 1.647 5.265 ( 2.946 0.000 -3.253) 4.389 5.372 ( 4.733 0.000 1.334) 4.917 5.622 ( 0.619 0.000 0.979) 1.158 5.630 ( 4.628 0.000 0.915) 4.718 9.221 ( 0.491 0.000 -0.156) 0.515 9.225 ( 0.129 0.000 -0.464) 0.482 9.266 ( 0.534 0.000 0.968) 1.105 9.280 ( 0.597 0.000 0.452) 0.748 9.361 ( -1.665 0.000 1.453) 2.210 9.373 ( -0.514 0.000 2.623) 2.673 9.388 ( -1.360 0.000 -1.590) 2.092 9.447 ( -0.260 0.000 1.432) 1.455 9.471 ( 0.800 0.000 -4.383) 4.456 9.530 ( 0.959 0.000 0.042) 0.960 9.625 ( 0.017 0.000 -1.144) 1.144 9.649 ( -0.043 0.000 -2.487) 2.488 9.689 ( -0.315 0.000 0.565) 0.647 9.706 ( -1.772 0.000 0.076) 1.774 9.796 ( 1.972 0.000 3.233) 3.787 9.857 ( 3.295 0.000 -1.067) 3.463 ======================= Grid point 51 (19/40) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 1.753 0.000 -2.386) 2.961 0.516 ( 5.358 0.000 2.285) 5.825 0.540 ( 5.988 0.000 -1.090) 6.086 0.580 ( 6.178 0.000 0.143) 6.180 0.633 ( -7.492 0.000 0.914) 7.548 0.635 ( 0.651 0.000 0.971) 1.169 0.677 ( -0.116 0.000 -0.449) 0.464 0.684 ( -4.275 0.000 2.767) 5.093 0.753 ( -1.073 0.000 -0.036) 1.074 0.781 ( -2.727 0.000 2.659) 3.809 0.824 ( 0.344 0.000 -1.135) 1.186 0.830 ( 0.875 0.000 0.154) 0.888 0.863 ( -3.860 0.000 0.327) 3.873 0.906 ( -2.759 0.000 -0.354) 2.781 0.936 ( 2.315 0.000 -1.537) 2.779 0.936 ( -3.335 0.000 -0.819) 3.435 0.962 ( 0.406 0.000 1.139) 1.209 0.974 ( 6.542 0.000 -1.334) 6.676 1.004 ( -4.174 0.000 -0.461) 4.199 1.039 ( 0.978 0.000 0.054) 0.980 1.076 ( -2.502 0.000 -1.281) 2.811 1.088 ( 1.534 0.000 -0.591) 1.644 1.094 ( -0.284 0.000 0.789) 0.838 1.148 ( 2.721 0.000 1.423) 3.070 1.171 ( 4.965 0.000 5.512) 7.418 1.181 ( 2.247 0.000 -5.681) 6.110 1.238 ( -1.478 0.000 1.274) 1.951 1.317 ( 1.328 0.000 0.781) 1.541 1.322 ( -1.389 0.000 1.037) 1.733 1.344 ( -1.440 0.000 -0.301) 1.471 1.365 ( -0.565 0.000 -2.962) 3.015 1.390 ( -1.782 0.000 -0.441) 1.836 1.420 ( 0.275 0.000 0.873) 0.915 1.424 ( -1.606 0.000 1.631) 2.289 1.485 ( -1.109 0.000 -1.047) 1.525 1.485 ( -3.182 0.000 -2.366) 3.966 1.554 ( -0.060 0.000 -0.035) 0.070 1.562 ( 3.656 0.000 -0.698) 3.722 1.574 ( 2.039 0.000 0.894) 2.226 1.637 ( -1.392 0.000 -0.656) 1.539 1.669 ( -0.742 0.000 -0.551) 0.924 1.687 ( -1.065 0.000 0.705) 1.277 1.691 ( 1.024 0.000 1.041) 1.460 1.760 ( -0.867 0.000 -0.987) 1.314 1.833 ( 0.759 0.000 0.846) 1.137 1.858 ( -1.172 0.000 -0.114) 1.177 1.898 ( -1.099 0.000 0.343) 1.151 1.904 ( -0.563 0.000 -0.533) 0.775 2.171 ( -0.345 0.000 3.656) 3.673 2.288 ( 0.228 0.000 -2.278) 2.290 2.321 ( 3.013 0.000 -0.387) 3.038 2.366 ( -0.430 0.000 -0.141) 0.453 2.438 ( -0.521 0.000 0.240) 0.574 2.444 ( -0.028 0.000 -0.106) 0.109 2.534 ( 1.302 0.000 -0.839) 1.549 2.579 ( -1.292 0.000 1.640) 2.088 2.630 ( 2.092 0.000 2.451) 3.222 2.670 ( 2.940 0.000 -0.220) 2.949 2.704 ( 2.889 0.000 1.044) 3.072 2.736 ( 0.211 0.000 -2.225) 2.235 3.018 ( -5.553 0.000 0.906) 5.627 3.065 ( -3.627 0.000 2.375) 4.335 3.111 ( -4.300 0.000 -1.256) 4.480 3.116 ( -2.370 0.000 -2.443) 3.404 3.299 ( -0.749 0.000 3.376) 3.458 3.358 ( -2.956 0.000 0.033) 2.956 3.473 ( -1.540 0.000 -0.497) 1.618 3.514 ( 0.561 0.000 -1.550) 1.648 3.746 ( -0.486 0.000 -1.368) 1.451 3.756 ( -1.380 0.000 -0.659) 1.529 3.947 ( -0.437 0.000 1.383) 1.450 3.960 ( 0.057 0.000 0.951) 0.953 4.172 ( -0.902 0.000 3.126) 3.254 4.188 ( -1.964 0.000 2.113) 2.885 4.297 ( -2.333 0.000 -1.297) 2.670 4.300 ( 2.902 0.000 -0.613) 2.966 4.363 ( 2.414 0.000 -3.110) 3.937 4.364 ( -0.951 0.000 -1.726) 1.970 4.422 ( -4.412 0.000 -0.483) 4.438 4.573 ( -8.310 0.000 1.804) 8.503 4.622 ( 1.730 0.000 -3.533) 3.934 4.632 ( -0.479 0.000 -1.187) 1.280 4.713 ( 2.731 0.000 2.283) 3.560 4.805 ( -2.078 0.000 0.623) 2.169 4.913 ( -1.636 0.000 4.939) 5.203 4.975 ( 2.598 0.000 -4.876) 5.525 5.115 ( 5.686 0.000 -2.008) 6.030 5.147 ( 4.077 0.000 1.565) 4.367 5.312 ( 2.196 0.000 -0.866) 2.360 5.443 ( 1.640 0.000 -1.024) 1.933 5.608 ( -2.278 0.000 3.854) 4.477 5.699 ( 1.024 0.000 -0.221) 1.048 9.227 ( 0.084 0.000 -0.022) 0.087 9.232 ( 0.756 0.000 -0.864) 1.148 9.285 ( 0.645 0.000 1.452) 1.588 9.291 ( 0.379 0.000 0.697) 0.794 9.334 ( -0.930 0.000 0.189) 0.949 9.372 ( 0.318 0.000 -0.357) 0.478 9.397 ( 0.445 0.000 2.976) 3.009 9.417 ( -1.061 0.000 -2.645) 2.850 9.513 ( 2.750 0.000 0.071) 2.751 9.550 ( 0.915 0.000 -1.242) 1.543 9.622 ( 0.086 0.000 -0.841) 0.846 9.635 ( 0.356 0.000 -0.183) 0.400 9.695 ( 0.388 0.000 1.429) 1.481 9.695 ( 0.491 0.000 -0.893) 1.020 9.808 ( -2.148 0.000 2.053) 2.972 9.870 ( -0.818 0.000 -1.902) 2.071 ======================= Grid point 52 (20/40) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( -2.328 0.000 1.915) 3.014 0.497 ( 1.888 0.000 1.549) 2.442 0.552 ( -0.353 0.000 0.245) 0.430 0.599 ( -4.165 0.000 -2.128) 4.677 0.673 ( -1.634 0.000 3.200) 3.593 0.709 ( 0.819 0.000 -0.842) 1.174 0.715 ( 2.048 0.000 -0.333) 2.075 0.727 ( 6.425 0.000 -0.524) 6.447 0.743 ( 2.213 0.000 3.137) 3.839 0.747 ( -0.731 0.000 0.654) 0.980 0.799 ( 2.251 0.000 1.795) 2.879 0.807 ( -3.265 0.000 -0.470) 3.299 0.851 ( 1.643 0.000 0.467) 1.708 0.858 ( -2.828 0.000 -0.579) 2.886 0.916 ( 3.291 0.000 1.187) 3.499 0.929 ( -1.437 0.000 -0.510) 1.525 0.954 ( -0.444 0.000 -2.075) 2.122 0.963 ( 1.235 0.000 -2.791) 3.052 1.004 ( -4.290 0.000 3.132) 5.312 1.054 ( 0.079 0.000 -1.498) 1.500 1.081 ( 1.819 0.000 0.667) 1.938 1.093 ( 0.213 0.000 -0.359) 0.417 1.142 ( 1.453 0.000 0.856) 1.687 1.161 ( -1.499 0.000 -0.570) 1.604 1.202 ( -2.086 0.000 0.765) 2.222 1.203 ( 2.249 0.000 0.933) 2.435 1.255 ( 0.559 0.000 -0.667) 0.870 1.280 ( -5.692 0.000 -1.837) 5.981 1.322 ( 1.984 0.000 -0.285) 2.004 1.329 ( -0.299 0.000 -1.957) 1.980 1.340 ( 0.954 0.000 2.320) 2.508 1.396 ( 1.305 0.000 -0.039) 1.306 1.404 ( -1.397 0.000 -1.804) 2.281 1.408 ( -0.054 0.000 -0.431) 0.435 1.477 ( 1.227 0.000 1.386) 1.851 1.495 ( 3.800 0.000 2.920) 4.792 1.523 ( -0.916 0.000 -0.904) 1.287 1.577 ( -1.400 0.000 -2.750) 3.085 1.605 ( -1.315 0.000 0.786) 1.532 1.631 ( 1.656 0.000 -1.454) 2.204 1.654 ( 0.996 0.000 -0.340) 1.053 1.659 ( -2.008 0.000 -0.346) 2.038 1.709 ( -0.257 0.000 1.937) 1.954 1.749 ( -0.125 0.000 -1.242) 1.248 1.838 ( -0.246 0.000 1.104) 1.131 1.851 ( 0.237 0.000 -0.086) 0.252 1.874 ( -0.230 0.000 0.203) 0.307 1.890 ( -0.557 0.000 -1.214) 1.336 2.189 ( -0.059 0.000 4.157) 4.158 2.279 ( -0.017 0.000 -3.348) 3.348 2.350 ( -0.924 0.000 0.304) 0.973 2.353 ( -0.079 0.000 -0.062) 0.100 2.447 ( 0.733 0.000 0.711) 1.021 2.458 ( 0.665 0.000 -0.356) 0.755 2.544 ( -2.406 0.000 1.017) 2.612 2.557 ( 1.407 0.000 -0.037) 1.407 2.663 ( 0.025 0.000 1.872) 1.872 2.710 ( 1.146 0.000 -1.874) 2.196 2.732 ( 0.180 0.000 0.357) 0.400 2.735 ( -0.126 0.000 0.202) 0.238 2.969 ( 0.632 0.000 2.662) 2.736 3.029 ( -0.394 0.000 2.024) 2.062 3.054 ( -0.551 0.000 -3.800) 3.840 3.077 ( 1.178 0.000 -2.470) 2.737 3.302 ( -0.957 0.000 4.040) 4.152 3.315 ( -1.399 0.000 1.929) 2.383 3.472 ( 1.366 0.000 -0.451) 1.439 3.519 ( 0.642 0.000 -3.600) 3.657 3.729 ( -0.772 0.000 -0.290) 0.824 3.745 ( 1.008 0.000 -1.646) 1.930 3.952 ( -0.021 0.000 1.954) 1.954 3.959 ( -0.606 0.000 1.164) 1.313 4.175 ( -0.396 0.000 3.166) 3.191 4.187 ( 1.120 0.000 2.027) 2.316 4.260 ( 0.312 0.000 -3.047) 3.063 4.303 ( -1.000 0.000 -5.890) 5.975 4.349 ( -3.018 0.000 1.972) 3.605 4.400 ( 1.622 0.000 -1.908) 2.504 4.408 ( 5.403 0.000 2.328) 5.884 4.446 ( -3.456 0.000 -0.317) 3.470 4.623 ( -0.186 0.000 -1.852) 1.861 4.629 ( 0.652 0.000 -1.988) 2.092 4.763 ( 1.070 0.000 1.969) 2.241 4.782 ( -0.888 0.000 0.130) 0.898 4.881 ( -3.092 0.000 5.190) 6.041 5.000 ( 2.272 0.000 -5.331) 5.795 5.183 ( -1.987 0.000 0.190) 1.996 5.200 ( 2.863 0.000 -0.625) 2.930 5.370 ( 3.070 0.000 1.747) 3.532 5.411 ( -3.807 0.000 -2.116) 4.356 5.610 ( 0.805 0.000 4.627) 4.696 5.687 ( -0.674 0.000 -2.144) 2.247 9.225 ( -0.345 0.000 0.173) 0.386 9.241 ( 0.532 0.000 -1.127) 1.247 9.294 ( -0.862 0.000 1.010) 1.328 9.303 ( -0.126 0.000 3.247) 3.250 9.322 ( -0.174 0.000 -0.841) 0.859 9.388 ( -0.111 0.000 -2.900) 2.902 9.393 ( 1.214 0.000 1.313) 1.788 9.405 ( -0.711 0.000 0.918) 1.161 9.547 ( -0.203 0.000 -0.700) 0.729 9.562 ( 1.731 0.000 -1.036) 2.017 9.622 ( 0.340 0.000 0.733) 0.808 9.654 ( -0.150 0.000 -0.978) 0.990 9.712 ( 2.035 0.000 0.738) 2.165 9.728 ( -0.285 0.000 0.763) 0.815 9.751 ( -1.586 0.000 1.934) 2.502 9.827 ( -1.229 0.000 -3.293) 3.515 ======================= Grid point 53 (21/40) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( -7.629 0.000 0.371) 7.638 0.488 ( -7.862 0.000 3.793) 8.730 0.526 ( 1.073 0.000 0.769) 1.320 0.605 ( 1.527 0.000 -1.220) 1.955 0.634 ( 1.888 0.000 0.939) 2.108 0.657 ( -3.332 0.000 -0.214) 3.339 0.690 ( -0.589 0.000 -3.332) 3.384 0.738 ( 3.308 0.000 -0.395) 3.332 0.801 ( -0.262 0.000 -0.569) 0.626 0.814 ( 2.367 0.000 -1.100) 2.610 0.825 ( 0.908 0.000 2.462) 2.624 0.835 ( -1.686 0.000 0.324) 1.716 0.838 ( 1.260 0.000 -2.245) 2.575 0.891 ( -0.880 0.000 2.072) 2.251 0.939 ( -3.563 0.000 -0.796) 3.651 0.948 ( 1.598 0.000 -0.679) 1.737 0.951 ( -2.030 0.000 0.278) 2.049 0.955 ( 2.846 0.000 -0.766) 2.947 0.999 ( 3.393 0.000 -1.466) 3.696 1.011 ( -1.848 0.000 0.760) 1.998 1.032 ( 0.096 0.000 1.303) 1.306 1.086 ( -0.859 0.000 0.836) 1.198 1.105 ( 0.321 0.000 0.506) 0.599 1.148 ( -2.088 0.000 -1.265) 2.442 1.165 ( 0.341 0.000 -0.100) 0.356 1.234 ( -0.213 0.000 2.424) 2.433 1.276 ( 2.738 0.000 -1.383) 3.067 1.283 ( 1.603 0.000 -0.415) 1.656 1.320 ( -0.361 0.000 1.370) 1.416 1.349 ( 2.016 0.000 -1.760) 2.676 1.359 ( -1.062 0.000 -2.364) 2.592 1.414 ( 1.631 0.000 -0.265) 1.652 1.423 ( 2.567 0.000 2.794) 3.795 1.432 ( 1.737 0.000 0.954) 1.982 1.485 ( -3.752 0.000 -4.509) 5.865 1.489 ( -0.739 0.000 -1.273) 1.472 1.544 ( 1.066 0.000 0.382) 1.132 1.556 ( -1.391 0.000 -0.053) 1.392 1.598 ( -3.150 0.000 -0.956) 3.291 1.608 ( 2.373 0.000 1.802) 2.979 1.654 ( 0.474 0.000 0.295) 0.558 1.668 ( -0.270 0.000 0.977) 1.014 1.717 ( 1.064 0.000 2.244) 2.483 1.733 ( -0.513 0.000 -1.589) 1.670 1.853 ( -0.007 0.000 -0.758) 0.758 1.856 ( 1.098 0.000 0.765) 1.338 1.887 ( 1.250 0.000 0.284) 1.281 1.891 ( 0.829 0.000 0.631) 1.042 2.207 ( -0.011 0.000 4.146) 4.146 2.257 ( -0.226 0.000 -3.006) 3.014 2.323 ( -1.701 0.000 -0.660) 1.825 2.342 ( -0.809 0.000 1.181) 1.432 2.447 ( -0.541 0.000 -0.343) 0.641 2.456 ( -0.261 0.000 -0.681) 0.729 2.507 ( -1.512 0.000 1.056) 1.844 2.591 ( 1.295 0.000 0.732) 1.487 2.649 ( -2.230 0.000 1.296) 2.579 2.672 ( -3.478 0.000 -0.515) 3.516 2.711 ( -1.812 0.000 0.373) 1.850 2.761 ( 2.133 0.000 -3.129) 3.787 3.059 ( 5.916 0.000 2.462) 6.408 3.070 ( 3.934 0.000 -3.615) 5.343 3.072 ( 3.028 0.000 1.986) 3.621 3.127 ( 4.265 0.000 -2.608) 4.999 3.289 ( -2.461 0.000 4.963) 5.539 3.327 ( 2.206 0.000 0.181) 2.213 3.514 ( 1.103 0.000 -3.135) 3.324 3.520 ( 3.525 0.000 -0.517) 3.563 3.735 ( 1.946 0.000 -1.101) 2.235 3.756 ( 0.357 0.000 -0.659) 0.749 3.953 ( -1.040 0.000 2.162) 2.399 3.957 ( 0.273 0.000 0.277) 0.389 4.182 ( -0.540 0.000 2.995) 3.043 4.220 ( -0.547 0.000 2.652) 2.708 4.277 ( 0.229 0.000 -0.809) 0.841 4.283 ( 2.753 0.000 -2.428) 3.671 4.324 ( 1.415 0.000 -1.656) 2.178 4.387 ( 0.607 0.000 -2.366) 2.443 4.460 ( 2.979 0.000 -2.218) 3.714 4.531 ( 3.437 0.000 2.431) 4.210 4.616 ( 0.685 0.000 0.097) 0.692 4.643 ( 2.874 0.000 -2.683) 3.931 4.745 ( -2.409 0.000 -0.580) 2.478 4.783 ( 0.044 0.000 2.343) 2.343 4.861 ( -1.278 0.000 4.685) 4.856 5.014 ( 1.441 0.000 -4.367) 4.598 5.099 ( -5.179 0.000 -0.474) 5.201 5.202 ( -2.775 0.000 -1.957) 3.396 5.314 ( -3.553 0.000 -1.056) 3.707 5.411 ( -0.339 0.000 1.828) 1.860 5.665 ( 1.856 0.000 3.061) 3.580 5.669 ( -0.473 0.000 -1.494) 1.568 9.217 ( -0.379 0.000 0.241) 0.450 9.239 ( -0.316 0.000 -1.007) 1.055 9.271 ( -1.395 0.000 1.031) 1.734 9.304 ( -1.270 0.000 1.261) 1.789 9.315 ( -0.433 0.000 1.854) 1.904 9.378 ( 0.496 0.000 -2.001) 2.061 9.389 ( -0.660 0.000 0.073) 0.664 9.430 ( 1.271 0.000 0.990) 1.612 9.534 ( -1.225 0.000 -0.473) 1.314 9.566 ( 0.307 0.000 -3.290) 3.304 9.626 ( -1.034 0.000 -1.981) 2.235 9.640 ( -1.352 0.000 0.288) 1.383 9.666 ( -0.615 0.000 0.926) 1.112 9.727 ( -0.782 0.000 -0.471) 0.913 9.800 ( 1.544 0.000 3.677) 3.988 9.842 ( 3.382 0.000 -1.372) 3.649 ======================= Grid point 54 (22/40) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( -8.242 0.000 5.259) 9.777 0.292 ( -8.896 0.000 5.549) 10.485 0.507 ( -1.857 0.000 -2.578) 3.177 0.526 ( -4.818 0.000 -1.547) 5.060 0.555 ( -10.983 0.000 9.309) 14.397 0.643 ( -2.402 0.000 0.725) 2.509 0.696 ( -1.778 0.000 -0.503) 1.848 0.748 ( -0.504 0.000 -1.094) 1.205 0.774 ( 1.460 0.000 1.604) 2.170 0.817 ( -0.640 0.000 0.266) 0.693 0.819 ( -1.667 0.000 -1.874) 2.508 0.873 ( 2.153 0.000 0.150) 2.158 0.878 ( 5.923 0.000 -0.602) 5.954 0.895 ( 1.214 0.000 -2.004) 2.343 0.948 ( 1.969 0.000 2.671) 3.318 0.969 ( 3.212 0.000 -1.152) 3.413 0.978 ( 2.691 0.000 -1.701) 3.183 1.016 ( 1.692 0.000 -0.034) 1.692 1.034 ( 4.415 0.000 -1.144) 4.561 1.070 ( 1.205 0.000 0.229) 1.227 1.076 ( -0.765 0.000 0.628) 0.990 1.094 ( 3.618 0.000 -0.444) 3.645 1.124 ( 3.249 0.000 0.326) 3.265 1.139 ( 2.409 0.000 0.019) 2.409 1.149 ( -0.960 0.000 -3.765) 3.886 1.214 ( -1.085 0.000 -5.740) 5.842 1.278 ( -0.938 0.000 0.994) 1.366 1.310 ( 0.999 0.000 1.243) 1.595 1.316 ( -1.535 0.000 -0.148) 1.542 1.346 ( 1.043 0.000 -1.885) 2.154 1.370 ( -3.336 0.000 0.435) 3.365 1.377 ( -0.216 0.000 -1.603) 1.617 1.409 ( -5.386 0.000 0.811) 5.447 1.437 ( -3.860 0.000 -0.797) 3.942 1.459 ( -0.252 0.000 0.753) 0.794 1.477 ( 0.927 0.000 1.575) 1.827 1.510 ( -1.475 0.000 1.230) 1.921 1.525 ( -0.394 0.000 -0.939) 1.018 1.608 ( 3.233 0.000 -0.336) 3.251 1.641 ( -0.679 0.000 0.976) 1.189 1.655 ( -0.495 0.000 1.097) 1.203 1.667 ( 0.343 0.000 1.435) 1.475 1.724 ( 0.621 0.000 -1.305) 1.446 1.761 ( 0.988 0.000 1.235) 1.581 1.849 ( 0.496 0.000 -1.313) 1.404 1.879 ( 0.862 0.000 0.212) 0.887 1.895 ( -0.806 0.000 1.286) 1.517 1.922 ( 1.153 0.000 0.408) 1.223 2.228 ( -0.202 0.000 1.805) 1.816 2.254 ( 1.157 0.000 -3.185) 3.389 2.295 ( 0.382 0.000 0.040) 0.384 2.342 ( 0.269 0.000 2.456) 2.471 2.455 ( 2.095 0.000 1.383) 2.510 2.458 ( 0.625 0.000 0.679) 0.923 2.487 ( -1.136 0.000 0.343) 1.187 2.587 ( -2.907 0.000 0.259) 2.918 2.587 ( -4.018 0.000 1.765) 4.388 2.601 ( -1.653 0.000 -1.415) 2.176 2.674 ( -2.048 0.000 0.249) 2.063 2.735 ( -3.668 0.000 -8.486) 9.244 3.138 ( 1.660 0.000 3.226) 3.628 3.146 ( 3.235 0.000 -0.785) 3.329 3.183 ( 4.747 0.000 -0.562) 4.780 3.199 ( 3.172 0.000 -2.248) 3.888 3.278 ( 0.458 0.000 3.592) 3.621 3.387 ( 3.193 0.000 -3.518) 4.750 3.558 ( 3.977 0.000 -0.189) 3.982 3.594 ( 2.984 0.000 0.386) 3.009 3.753 ( -0.465 0.000 0.687) 0.830 3.785 ( 3.101 0.000 -2.534) 4.004 3.937 ( -0.925 0.000 1.695) 1.931 3.969 ( 0.602 0.000 -0.664) 0.896 4.195 ( 1.158 0.000 3.751) 3.926 4.211 ( 0.417 0.000 0.373) 0.560 4.295 ( 1.140 0.000 2.447) 2.699 4.328 ( 1.957 0.000 -0.627) 2.055 4.368 ( 1.684 0.000 -0.128) 1.689 4.405 ( 2.464 0.000 -3.451) 4.240 4.505 ( 2.047 0.000 -1.299) 2.425 4.539 ( -0.254 0.000 -1.460) 1.482 4.663 ( -1.513 0.000 0.253) 1.534 4.677 ( 3.692 0.000 -1.566) 4.010 4.769 ( 3.476 0.000 -0.861) 3.581 4.802 ( 1.214 0.000 4.090) 4.266 4.853 ( -2.004 0.000 3.948) 4.428 4.980 ( -5.298 0.000 -6.581) 8.449 5.008 ( -1.288 0.000 -2.281) 2.620 5.140 ( 1.255 0.000 0.840) 1.510 5.238 ( -4.855 0.000 -2.406) 5.418 5.377 ( -3.321 0.000 0.524) 3.362 5.636 ( -2.658 0.000 0.251) 2.670 5.662 ( -3.961 0.000 -2.134) 4.499 9.215 ( 0.084 0.000 0.262) 0.276 9.221 ( -0.800 0.000 -0.115) 0.809 9.259 ( -0.310 0.000 0.703) 0.768 9.275 ( -1.288 0.000 0.476) 1.373 9.339 ( 2.199 0.000 4.533) 5.038 9.379 ( -0.789 0.000 0.989) 1.265 9.388 ( 1.154 0.000 -0.982) 1.515 9.440 ( -0.215 0.000 -1.102) 1.122 9.497 ( -1.372 0.000 -1.580) 2.093 9.555 ( 0.010 0.000 -3.645) 3.645 9.604 ( -0.551 0.000 -0.174) 0.578 9.609 ( -0.289 0.000 1.452) 1.480 9.691 ( 1.148 0.000 0.516) 1.259 9.716 ( 0.211 0.000 -0.676) 0.708 9.818 ( -1.614 0.000 2.461) 2.943 9.875 ( -0.789 0.000 -3.667) 3.751 ======================= Grid point 55 (23/40) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -0.438 7.412 7.320) 10.427 0.376 ( 2.519 6.078 8.524) 10.767 0.496 ( -0.289 2.869 -3.609) 4.620 0.542 ( 0.407 5.825 -5.747) 8.193 0.627 ( -0.872 7.312 7.960) 10.844 0.657 ( 1.870 5.659 3.096) 6.716 0.673 ( 0.500 2.733 0.166) 2.783 0.780 ( -0.892 0.462 1.741) 2.010 0.781 ( -1.337 1.445 -0.027) 1.969 0.791 ( 0.192 -0.724 1.761) 1.913 0.835 ( 0.387 0.127 -1.564) 1.616 0.863 ( 0.446 0.074 -2.837) 2.873 0.878 ( -2.150 0.749 1.286) 2.615 0.916 ( 1.674 -1.614 -1.522) 2.780 0.938 ( -0.128 -2.590 0.079) 2.594 0.963 ( -0.685 -5.863 0.440) 5.919 0.991 ( -2.102 -3.101 -1.386) 3.995 1.002 ( 0.690 -0.471 0.777) 1.141 1.012 ( 2.403 -2.668 -1.053) 3.742 1.037 ( 0.033 -0.828 -0.087) 0.833 1.060 ( -1.863 -2.732 -3.100) 4.533 1.130 ( -1.317 0.707 -1.768) 2.315 1.142 ( 0.393 -1.353 -1.191) 1.844 1.161 ( -0.195 -0.335 -3.717) 3.737 1.191 ( 4.127 -1.526 0.182) 4.404 1.210 ( -0.398 0.044 -1.106) 1.176 1.236 ( -1.529 -1.196 0.489) 2.002 1.264 ( 1.332 -0.939 -0.605) 1.739 1.312 ( 1.319 -0.143 1.807) 2.242 1.333 ( -2.737 1.450 -0.383) 3.121 1.348 ( 0.839 0.738 0.242) 1.143 1.368 ( -1.079 1.697 -0.547) 2.084 1.428 ( 2.220 0.498 0.190) 2.284 1.435 ( -0.394 2.200 -0.623) 2.320 1.476 ( -1.232 3.365 0.334) 3.599 1.496 ( 0.859 4.163 -0.682) 4.305 1.510 ( 0.345 -0.571 1.695) 1.822 1.541 ( -0.778 1.692 0.017) 1.863 1.624 ( -0.333 -0.796 0.974) 1.301 1.627 ( -0.366 -0.959 1.008) 1.438 1.653 ( 0.030 -0.867 0.254) 0.903 1.672 ( 2.223 -0.467 -0.983) 2.475 1.728 ( -1.658 -2.058 1.264) 2.929 1.746 ( 1.343 -1.213 -0.142) 1.815 1.860 ( -0.023 0.469 0.804) 0.931 1.865 ( -0.155 -0.545 0.764) 0.951 1.886 ( -1.304 -0.419 -0.171) 1.380 1.922 ( 0.231 -0.941 -1.260) 1.589 2.219 ( -1.502 1.685 -0.088) 2.258 2.253 ( 1.533 0.161 -1.459) 2.123 2.342 ( -0.434 -0.800 2.996) 3.131 2.396 ( -1.599 -1.879 -0.456) 2.509 2.440 ( 1.556 3.460 1.443) 4.059 2.485 ( -1.368 2.356 -2.346) 3.595 2.511 ( 1.377 0.926 1.306) 2.112 2.539 ( -0.182 1.982 0.001) 1.991 2.570 ( -0.070 0.568 1.598) 1.698 2.586 ( -0.422 0.175 -0.153) 0.481 2.638 ( -3.836 1.321 0.178) 4.061 2.713 ( 4.588 2.533 -4.970) 7.223 3.058 ( -0.568 -7.446 1.414) 7.601 3.083 ( 0.682 -9.950 -0.065) 9.974 3.154 ( -1.114 -4.841 2.785) 5.695 3.214 ( 0.494 -5.503 -2.523) 6.074 3.308 ( 0.558 0.341 -0.184) 0.679 3.350 ( -0.001 -2.495 -3.129) 4.002 3.579 ( -0.292 -1.447 3.000) 3.344 3.635 ( 0.167 -0.219 -1.378) 1.406 3.730 ( -0.768 -1.898 0.752) 2.181 3.767 ( 0.473 -3.681 -2.095) 4.262 3.925 ( 0.899 -0.252 1.319) 1.616 3.964 ( -0.907 -0.693 -2.009) 2.310 4.225 ( 0.587 -1.393 1.309) 1.999 4.248 ( 0.061 -0.800 -0.488) 0.939 4.255 ( 0.265 -3.259 3.017) 4.449 4.314 ( -1.316 -2.397 -1.473) 3.106 4.329 ( -0.774 -0.709 1.904) 2.174 4.388 ( -0.226 -2.273 -0.561) 2.352 4.505 ( 4.824 0.520 1.084) 4.972 4.534 ( -2.314 -0.255 -1.534) 2.788 4.684 ( -0.847 0.747 2.830) 3.047 4.728 ( -0.997 1.041 1.453) 2.047 4.753 ( 2.494 3.668 -0.508) 4.465 4.837 ( 0.283 2.273 -2.265) 3.221 4.890 ( 5.101 -1.367 -1.210) 5.417 4.911 ( -8.425 -0.729 -1.875) 8.662 5.077 ( -0.961 6.071 1.415) 6.308 5.133 ( 0.167 5.031 -2.881) 5.800 5.236 ( 1.921 -1.798 2.222) 3.443 5.297 ( -1.604 1.252 -2.860) 3.510 5.619 ( -1.236 2.540 3.137) 4.221 5.718 ( 0.921 5.651 -6.221) 8.455 9.218 ( -0.106 0.321 0.128) 0.361 9.222 ( 0.387 0.273 -0.134) 0.492 9.270 ( 0.195 0.800 0.583) 1.009 9.275 ( -0.117 0.981 0.054) 0.990 9.365 ( -1.514 -0.975 2.570) 3.138 9.371 ( 0.386 -1.475 1.313) 2.012 9.406 ( 0.873 -0.777 1.492) 1.895 9.462 ( -0.578 1.089 -1.913) 2.276 9.474 ( 3.619 -0.478 0.108) 3.652 9.496 ( -1.956 -0.312 -1.030) 2.233 9.560 ( 1.964 -3.001 -0.772) 3.669 9.572 ( -1.951 -0.948 -1.750) 2.787 9.712 ( 0.825 -1.252 0.244) 1.519 9.716 ( -0.448 -1.429 0.026) 1.497 9.839 ( -1.366 4.528 2.787) 5.489 9.921 ( -0.088 4.840 -4.761) 6.790 ======================= Grid point 56 (24/40) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 2.826 4.126 6.026) 7.831 0.429 ( 0.923 6.433 1.309) 6.629 0.498 ( 2.285 0.877 -4.834) 5.419 0.573 ( 5.114 4.613 -2.964) 7.499 0.653 ( 1.107 0.354 1.954) 2.274 0.671 ( -3.713 -1.495 -1.021) 4.130 0.724 ( -1.106 1.210 1.966) 2.560 0.764 ( 0.490 0.011 0.076) 0.496 0.780 ( 0.151 3.602 0.372) 3.624 0.801 ( -1.827 -2.093 0.055) 2.779 0.814 ( -3.557 -2.853 1.440) 4.782 0.842 ( -1.894 -1.693 0.528) 2.595 0.868 ( 1.690 0.182 -0.676) 1.829 0.889 ( 1.330 4.172 0.037) 4.379 0.911 ( -1.296 -2.041 -0.921) 2.587 0.955 ( -0.173 1.417 -0.873) 1.674 0.994 ( 3.131 0.595 0.288) 3.200 1.011 ( 3.983 2.238 3.646) 5.845 1.022 ( 0.043 -0.314 -0.842) 0.900 1.061 ( -2.702 1.534 -1.058) 3.283 1.071 ( 0.816 -0.906 -2.126) 2.451 1.079 ( -1.528 -0.378 -0.542) 1.665 1.129 ( 0.764 -0.319 1.073) 1.355 1.143 ( -2.156 1.606 -0.060) 2.689 1.174 ( 0.634 0.302 -0.283) 0.757 1.196 ( 0.171 2.077 -5.186) 5.589 1.257 ( -0.484 -1.631 -0.361) 1.739 1.280 ( -0.584 -0.690 0.576) 1.072 1.320 ( -0.654 -0.949 1.163) 1.638 1.328 ( 1.263 -1.691 0.943) 2.311 1.375 ( 0.946 -0.402 1.157) 1.547 1.380 ( -0.736 -1.637 -0.820) 1.973 1.407 ( 2.228 0.015 -1.404) 2.633 1.442 ( -0.248 1.679 -1.137) 2.043 1.469 ( -0.342 -1.203 0.222) 1.270 1.508 ( -0.577 -0.462 -0.767) 1.066 1.521 ( -0.622 2.711 -0.412) 2.812 1.539 ( 0.396 1.112 1.225) 1.701 1.602 ( -0.905 0.344 0.207) 0.990 1.638 ( -0.082 -1.195 0.341) 1.245 1.642 ( 0.720 -0.564 0.025) 0.915 1.688 ( -0.888 -0.648 -0.584) 1.245 1.715 ( 0.268 1.219 0.433) 1.321 1.759 ( 0.047 -2.081 -0.022) 2.082 1.828 ( -0.794 0.557 0.602) 1.142 1.876 ( 0.642 -0.842 0.956) 1.426 1.901 ( 0.561 0.557 0.593) 0.988 1.935 ( 0.824 0.895 -0.605) 1.359 2.195 ( -0.988 2.353 1.635) 3.030 2.281 ( 1.782 0.350 -2.120) 2.792 2.307 ( -1.426 0.277 2.118) 2.568 2.400 ( -0.433 1.624 0.050) 1.681 2.467 ( 1.055 1.489 0.666) 1.942 2.490 ( -2.107 0.671 0.176) 2.218 2.523 ( 0.519 -0.622 -1.164) 1.418 2.553 ( 1.482 1.205 -0.928) 2.123 2.568 ( 3.115 1.618 2.058) 4.069 2.597 ( 0.473 -0.377 -1.129) 1.281 2.612 ( 1.577 -0.460 2.414) 2.920 2.768 ( 1.387 0.822 -3.439) 3.798 3.033 ( -2.204 -6.738 -0.472) 7.105 3.074 ( -2.673 -6.731 1.240) 7.348 3.137 ( -0.904 -6.950 1.555) 7.179 3.169 ( -3.221 -3.785 -0.768) 5.028 3.273 ( -3.815 0.191 1.187) 4.000 3.329 ( -0.080 -4.834 -3.487) 5.961 3.523 ( -5.985 -0.718 2.640) 6.581 3.576 ( -4.127 0.259 -1.332) 4.344 3.721 ( -0.714 -3.015 0.426) 3.127 3.764 ( 0.107 -2.275 -1.823) 2.917 3.933 ( -0.946 -1.038 -2.023) 2.463 3.936 ( -0.592 -1.497 2.310) 2.815 4.201 ( -1.985 0.203 0.096) 1.998 4.218 ( -1.264 -0.568 1.998) 2.431 4.246 ( -2.315 -3.503 -0.886) 4.292 4.296 ( 0.184 -1.222 3.637) 3.841 4.323 ( 0.032 -1.282 -1.390) 1.892 4.380 ( -0.093 -0.288 -1.612) 1.640 4.488 ( -1.923 -2.087 -4.429) 5.261 4.622 ( 3.745 1.970 1.018) 4.352 4.661 ( -1.944 3.470 -0.975) 4.096 4.699 ( -3.239 -0.821 4.260) 5.414 4.709 ( -3.773 -1.978 0.423) 4.281 4.860 ( 5.537 3.596 0.317) 6.610 4.870 ( 1.836 2.756 -3.071) 4.516 4.993 ( 4.638 3.587 0.809) 5.919 5.094 ( 1.186 4.577 1.420) 4.937 5.141 ( 0.674 3.074 -0.653) 3.214 5.251 ( 1.264 -0.250 -3.382) 3.619 5.355 ( 4.574 -1.838 2.662) 5.602 5.635 ( 1.333 0.451 2.016) 2.459 5.693 ( -1.505 3.655 -2.132) 4.491 9.222 ( 0.468 0.195 -0.213) 0.550 9.231 ( 0.496 0.422 -0.327) 0.729 9.270 ( 0.168 0.621 0.202) 0.674 9.290 ( 0.720 0.805 0.413) 1.156 9.349 ( -0.999 -0.803 1.644) 2.084 9.373 ( -0.097 0.369 1.782) 1.823 9.400 ( -2.228 -0.188 -1.237) 2.555 9.442 ( 0.369 0.521 0.729) 0.969 9.479 ( 1.884 0.140 -2.676) 3.276 9.522 ( -0.554 -0.540 -1.659) 1.830 9.562 ( 2.096 -2.782 0.012) 3.483 9.599 ( 1.570 -2.103 -0.093) 2.625 9.683 ( -1.326 -0.577 -0.518) 1.536 9.737 ( 0.468 -0.692 -0.391) 0.922 9.839 ( -0.345 3.683 4.319) 5.687 9.906 ( -0.096 2.734 -2.427) 3.657 ======================= Grid point 57 (25/40) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 0.530 0.618 -0.433) 0.922 0.513 ( 1.980 -0.439 1.464) 2.501 0.560 ( 1.492 1.486 2.388) 3.184 0.586 ( 2.327 -0.751 -0.287) 2.462 0.636 ( -1.716 -1.523 -1.205) 2.592 0.660 ( -4.129 1.309 0.964) 4.437 0.664 ( 0.018 1.568 0.076) 1.570 0.736 ( -1.629 -1.849 1.263) 2.769 0.752 ( 1.377 0.368 1.052) 1.771 0.780 ( 0.006 0.292 1.782) 1.806 0.803 ( -0.213 2.503 -0.124) 2.516 0.822 ( 0.184 2.065 -0.534) 2.141 0.858 ( -2.664 0.777 -0.409) 2.805 0.917 ( -0.775 0.428 -0.284) 0.930 0.934 ( 1.493 0.128 -0.710) 1.658 0.968 ( -0.099 1.063 -0.603) 1.226 0.985 ( 3.186 2.322 -1.508) 4.221 1.023 ( 1.714 2.816 1.413) 3.587 1.047 ( 3.130 -0.713 -0.831) 3.316 1.053 ( 0.293 0.598 -2.394) 2.485 1.081 ( -3.420 2.438 0.429) 4.222 1.096 ( -0.665 -0.233 -0.862) 1.113 1.117 ( -2.635 2.486 0.628) 3.676 1.164 ( 1.792 1.393 1.189) 2.562 1.201 ( 2.804 0.306 -4.766) 5.539 1.205 ( 3.210 1.123 2.182) 4.041 1.233 ( -2.359 2.121 1.379) 3.459 1.294 ( -0.377 -1.434 1.188) 1.900 1.309 ( 0.873 -3.015 1.441) 3.454 1.337 ( -0.820 0.423 0.533) 1.065 1.357 ( 0.954 0.043 2.837) 2.993 1.379 ( -1.786 -1.675 -1.001) 2.645 1.395 ( -0.930 -0.192 -2.209) 2.404 1.433 ( 0.096 -1.517 -1.743) 2.313 1.445 ( -0.433 0.975 -1.642) 1.958 1.496 ( -2.677 0.029 0.240) 2.688 1.517 ( 0.756 -2.512 0.538) 2.678 1.562 ( 1.318 -0.215 0.481) 1.419 1.599 ( -0.271 1.143 -1.265) 1.726 1.631 ( -0.781 -0.728 0.308) 1.111 1.641 ( 0.494 -1.517 -0.243) 1.614 1.680 ( -0.446 0.648 -0.649) 1.020 1.720 ( 0.058 1.704 0.997) 1.975 1.762 ( 0.447 -0.051 -0.567) 0.724 1.834 ( 0.140 0.704 1.059) 1.279 1.886 ( 0.468 0.535 -0.181) 0.734 1.902 ( -0.812 0.239 -0.449) 0.958 1.926 ( -1.282 2.578 -0.045) 2.879 2.197 ( 0.016 2.234 3.062) 3.790 2.296 ( 0.698 0.560 -2.134) 2.314 2.330 ( 2.599 0.713 0.661) 2.775 2.384 ( -0.786 1.388 -0.667) 1.729 2.440 ( -1.570 0.443 0.879) 1.853 2.482 ( 0.046 2.323 -0.116) 2.327 2.527 ( 1.032 -0.807 -1.408) 1.923 2.572 ( -0.889 -0.295 0.732) 1.189 2.608 ( 1.124 -1.542 0.381) 1.946 2.644 ( 1.294 -2.365 0.440) 2.731 2.672 ( 3.062 -1.642 2.320) 4.178 2.754 ( -0.554 -0.153 -1.941) 2.024 2.962 ( -3.864 -4.486 0.562) 5.947 3.017 ( -2.205 -3.855 -0.458) 4.464 3.094 ( -3.158 -2.335 0.242) 3.935 3.111 ( -2.909 -3.145 -0.767) 4.352 3.225 ( -1.362 -4.422 4.197) 6.247 3.312 ( -0.074 -5.168 -2.721) 5.840 3.422 ( -3.738 -2.092 2.368) 4.894 3.497 ( -2.211 -1.575 -2.078) 3.419 3.703 ( -0.848 -2.513 -0.089) 2.654 3.751 ( -0.440 -1.157 -2.301) 2.613 3.914 ( -0.016 -2.048 -0.795) 2.197 3.927 ( -1.499 -2.830 2.911) 4.328 4.169 ( -1.431 -0.655 0.497) 1.650 4.210 ( -1.173 -2.481 2.635) 3.804 4.221 ( -0.160 -0.250 -0.479) 0.564 4.309 ( 0.859 -0.946 1.378) 1.879 4.329 ( 1.140 -1.179 -2.452) 2.950 4.370 ( 0.671 -0.274 -3.512) 3.586 4.422 ( -2.422 0.623 -1.911) 3.147 4.526 ( -7.246 -3.373 0.725) 8.026 4.672 ( 0.575 6.140 1.334) 6.310 4.698 ( 2.151 2.612 0.193) 3.390 4.744 ( 2.117 2.221 1.893) 3.606 4.853 ( -0.991 3.798 -3.939) 5.561 4.969 ( 1.416 4.277 4.186) 6.150 5.046 ( 1.111 5.074 -1.953) 5.549 5.131 ( 3.260 2.236 -1.161) 4.120 5.184 ( 2.893 2.419 0.184) 3.776 5.280 ( 3.037 -1.476 -0.428) 3.403 5.440 ( 2.206 -1.517 1.284) 2.970 5.616 ( -3.762 0.581 1.019) 3.941 5.675 ( -0.121 -2.083 -0.167) 2.093 9.232 ( 0.629 0.243 -0.602) 0.904 9.239 ( 0.272 0.802 -0.089) 0.851 9.280 ( 0.612 -0.155 0.376) 0.735 9.305 ( 0.651 0.972 0.550) 1.293 9.341 ( -0.624 0.587 1.155) 1.438 9.368 ( 0.253 -0.189 -0.496) 0.588 9.396 ( 0.206 0.231 2.229) 2.250 9.428 ( -1.017 0.878 -1.561) 2.060 9.524 ( 2.608 0.083 0.862) 2.748 9.531 ( 1.633 -1.667 -1.315) 2.679 9.572 ( -0.162 -1.970 -1.209) 2.317 9.630 ( 1.507 -1.885 -0.129) 2.417 9.659 ( -0.689 0.038 -0.406) 0.801 9.742 ( 0.132 0.092 -0.504) 0.529 9.828 ( -2.493 2.480 2.588) 4.366 9.888 ( -0.844 1.258 -1.455) 2.100 ======================= Grid point 58 (26/40) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 0.319 -0.767 1.359) 1.593 0.486 ( -1.240 -0.250 1.470) 1.939 0.518 ( -0.857 -1.037 1.324) 1.887 0.580 ( -1.729 -0.243 -2.557) 3.096 0.665 ( 3.070 0.546 1.682) 3.543 0.679 ( -0.255 -0.497 4.059) 4.097 0.718 ( -0.498 -0.031 0.281) 0.573 0.730 ( -0.164 -1.819 1.800) 2.564 0.762 ( -0.393 1.725 -0.529) 1.847 0.780 ( 4.810 3.528 -0.175) 5.967 0.794 ( -0.180 2.972 0.822) 3.089 0.806 ( 0.078 -1.709 -1.717) 2.424 0.906 ( 1.333 2.307 -1.780) 3.204 0.921 ( 2.696 0.423 -1.546) 3.136 0.938 ( -6.703 3.110 0.518) 7.407 0.954 ( 2.343 -0.857 -1.133) 2.740 0.989 ( 1.181 1.460 2.528) 3.149 1.009 ( -2.119 4.623 0.519) 5.112 1.029 ( -1.212 2.800 -1.001) 3.211 1.043 ( 0.217 1.024 -1.610) 1.920 1.105 ( 0.920 0.271 0.084) 0.962 1.113 ( -0.049 2.042 -0.279) 2.061 1.131 ( 3.340 -1.272 1.519) 3.883 1.164 ( -1.925 -0.188 0.306) 1.958 1.186 ( -0.444 -0.632 -0.478) 0.908 1.204 ( 0.568 0.039 -1.206) 1.333 1.264 ( -0.818 0.713 2.252) 2.500 1.288 ( -0.351 -2.895 1.479) 3.270 1.317 ( -2.781 1.355 -1.182) 3.311 1.334 ( 2.756 -0.561 -0.033) 2.813 1.346 ( -1.042 0.675 1.465) 1.920 1.366 ( -0.706 -1.556 -1.575) 2.323 1.390 ( 0.158 0.798 -1.409) 1.627 1.416 ( -0.099 0.714 -2.191) 2.307 1.445 ( 0.947 0.356 1.016) 1.433 1.490 ( -0.753 -0.720 -2.124) 2.365 1.513 ( 3.035 -0.211 2.743) 4.096 1.560 ( -1.427 -1.570 -0.754) 2.252 1.612 ( 0.310 -0.410 0.663) 0.839 1.624 ( 0.850 -1.863 -0.313) 2.071 1.639 ( -1.470 -0.128 -0.123) 1.481 1.664 ( 0.383 1.532 -1.749) 2.357 1.727 ( -0.060 1.071 1.643) 1.963 1.761 ( -0.374 0.700 -1.094) 1.352 1.834 ( -0.530 0.762 1.150) 1.477 1.869 ( -0.780 0.921 -1.933) 2.278 1.894 ( -0.816 1.035 1.128) 1.735 1.917 ( 1.372 2.267 -0.629) 2.724 2.216 ( -0.064 2.236 3.591) 4.231 2.295 ( 0.192 1.220 -2.910) 3.161 2.364 ( -0.775 1.165 0.429) 1.463 2.370 ( 0.080 1.394 -0.118) 1.401 2.441 ( 0.650 -0.017 1.902) 2.010 2.483 ( 0.557 1.045 -1.480) 1.896 2.534 ( -2.511 -0.622 0.997) 2.773 2.550 ( 1.502 -0.597 -0.311) 1.646 2.626 ( 0.344 -2.501 0.890) 2.676 2.655 ( 0.213 -3.993 -1.122) 4.153 2.712 ( -0.228 -1.780 1.788) 2.534 2.745 ( 0.326 -0.912 -1.059) 1.435 2.927 ( 0.227 -3.460 2.133) 4.070 2.989 ( 0.391 -3.138 -2.175) 3.838 3.051 ( -0.953 -1.728 -0.159) 1.980 3.072 ( 0.726 -1.031 -0.929) 1.566 3.224 ( -1.452 -5.739 4.761) 7.597 3.307 ( 0.611 -2.670 -1.391) 3.072 3.400 ( -0.062 -4.669 1.848) 5.021 3.469 ( 0.625 -3.289 -2.916) 4.440 3.698 ( 0.410 -2.266 0.073) 2.304 3.732 ( 0.166 -0.707 -2.751) 2.845 3.905 ( -1.831 -3.533 2.367) 4.630 3.929 ( 1.416 -2.169 0.619) 2.663 4.148 ( -0.804 -1.345 1.041) 1.881 4.204 ( 1.884 -3.899 -2.284) 4.896 4.240 ( 1.077 2.812 1.666) 3.441 4.317 ( -0.212 -0.603 -1.930) 2.033 4.343 ( -1.792 -0.944 -0.044) 2.026 4.369 ( 0.972 -2.894 -0.975) 3.205 4.402 ( -1.680 0.181 0.343) 1.724 4.414 ( 0.804 0.836 -0.616) 1.313 4.680 ( -0.825 4.937 1.475) 5.218 4.737 ( 1.686 6.078 -1.267) 6.434 4.780 ( -0.251 1.446 1.027) 1.791 4.815 ( 0.206 3.985 -2.717) 4.828 4.968 ( -2.567 5.745 5.162) 8.139 5.055 ( 0.835 4.860 -2.320) 5.450 5.190 ( -0.885 0.780 -1.192) 1.677 5.203 ( 2.563 -0.165 -1.559) 3.005 5.374 ( 3.947 0.453 2.498) 4.693 5.417 ( -4.698 0.387 -1.458) 4.934 5.586 ( 0.711 -1.873 3.651) 4.165 5.656 ( -0.517 -2.702 -2.248) 3.553 9.233 ( -0.423 0.695 0.106) 0.821 9.246 ( 0.622 0.367 -0.831) 1.101 9.290 ( -0.438 0.136 1.008) 1.108 9.315 ( 0.341 0.078 -0.768) 0.844 9.334 ( -0.914 1.658 2.547) 3.174 9.390 ( 1.542 -0.138 1.077) 1.886 9.395 ( -0.572 0.483 -0.496) 0.898 9.408 ( -0.412 0.643 -0.603) 0.973 9.540 ( -0.178 -0.819 -0.444) 0.948 9.563 ( -0.261 -1.839 -2.116) 2.816 9.584 ( 2.097 -0.893 2.241) 3.197 9.645 ( 0.428 -1.131 -2.550) 2.822 9.678 ( 2.139 -1.334 1.611) 2.992 9.707 ( -3.247 -1.700 -0.785) 3.749 9.807 ( -0.559 3.498 2.189) 4.164 9.859 ( -0.093 2.169 -2.185) 3.080 ======================= Grid point 59 (27/40) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -2.656 2.096 0.127) 3.386 0.485 ( -2.241 0.173 3.555) 4.206 0.535 ( 0.049 0.119 2.880) 2.883 0.615 ( 2.925 0.373 -1.527) 3.320 0.628 ( -3.421 -0.026 -1.844) 3.886 0.690 ( 0.167 0.040 -0.943) 0.959 0.726 ( 0.940 0.238 -1.775) 2.023 0.743 ( 0.320 -2.153 1.385) 2.580 0.761 ( 1.564 -0.338 1.081) 1.931 0.790 ( -2.905 1.727 1.445) 3.675 0.832 ( 3.150 -0.331 -1.803) 3.645 0.834 ( -0.233 2.784 -2.014) 3.444 0.866 ( 2.585 1.489 -3.452) 4.562 0.889 ( -0.196 -0.165 2.757) 2.769 0.936 ( -1.740 2.797 0.667) 3.361 0.960 ( 0.587 0.543 -0.903) 1.207 0.987 ( -0.794 2.838 -1.417) 3.270 1.012 ( -1.071 -0.230 0.134) 1.104 1.027 ( -4.676 3.272 2.149) 6.099 1.050 ( -2.224 1.815 -1.539) 3.257 1.069 ( -1.396 0.213 -0.106) 1.416 1.094 ( 4.131 3.024 -0.443) 5.139 1.128 ( -1.724 1.706 0.493) 2.475 1.142 ( 0.091 0.387 -0.568) 0.694 1.181 ( -0.481 1.094 0.278) 1.227 1.239 ( 2.030 -0.956 1.015) 2.463 1.253 ( -0.558 -2.309 0.196) 2.384 1.274 ( -0.237 0.715 0.738) 1.055 1.315 ( 2.365 -1.362 1.566) 3.147 1.330 ( 0.845 -0.586 0.708) 1.249 1.356 ( -0.897 -1.092 -1.086) 1.783 1.396 ( 2.350 -1.538 -1.365) 3.122 1.405 ( 0.457 -1.187 0.033) 1.272 1.421 ( 2.357 0.085 -0.330) 2.381 1.469 ( -3.387 0.440 -4.809) 5.898 1.499 ( 1.351 2.006 1.336) 2.764 1.513 ( 0.202 -3.030 0.405) 3.064 1.552 ( -0.272 -0.958 0.292) 1.038 1.591 ( -0.136 -1.005 -0.137) 1.024 1.626 ( -0.189 1.235 0.779) 1.472 1.644 ( -0.384 -0.204 -0.410) 0.598 1.663 ( 0.173 -0.036 -0.028) 0.179 1.731 ( -0.172 0.892 1.750) 1.972 1.744 ( -0.558 1.026 -0.897) 1.473 1.842 ( 0.763 -0.296 1.401) 1.622 1.862 ( -0.004 0.244 -0.037) 0.247 1.885 ( 0.498 1.425 0.527) 1.599 1.948 ( 0.941 2.243 -0.792) 2.558 2.226 ( -0.471 1.869 2.839) 3.432 2.278 ( -0.150 1.597 -2.237) 2.752 2.339 ( -1.424 0.834 0.058) 1.652 2.358 ( -0.798 1.630 0.452) 1.870 2.463 ( 0.495 0.826 1.290) 1.610 2.481 ( -0.012 1.792 -1.777) 2.524 2.496 ( -1.209 -0.286 0.513) 1.344 2.573 ( -0.053 -1.267 0.396) 1.329 2.627 ( -1.885 -2.868 -0.175) 3.437 2.641 ( -0.351 -1.430 0.514) 1.559 2.707 ( -0.671 -1.211 1.860) 2.319 2.742 ( 0.219 -1.768 -2.943) 3.440 2.969 ( 2.514 -6.480 0.372) 6.960 3.032 ( 4.550 -2.660 -1.815) 5.574 3.071 ( 2.198 -1.920 1.273) 3.184 3.118 ( 3.232 -3.527 -0.349) 4.796 3.218 ( -0.403 -3.820 3.459) 5.169 3.324 ( 1.961 -2.050 -2.098) 3.528 3.421 ( 1.668 -5.199 1.594) 5.688 3.504 ( 3.918 -1.892 -1.896) 4.746 3.716 ( 1.032 -2.088 0.591) 2.403 3.739 ( 1.861 -1.116 -3.308) 3.956 3.882 ( -1.122 -2.998 2.006) 3.778 3.967 ( 1.649 -1.653 0.083) 2.336 4.156 ( 1.053 -1.863 0.706) 2.253 4.232 ( -0.526 -1.509 1.427) 2.142 4.267 ( -1.163 0.009 -1.207) 1.676 4.289 ( -0.992 0.348 1.426) 1.772 4.321 ( 3.673 -0.278 -3.339) 4.972 4.357 ( 0.433 -1.046 -2.260) 2.527 4.396 ( 0.996 -2.513 0.165) 2.708 4.513 ( 5.619 -1.342 0.907) 5.848 4.664 ( -0.689 3.358 1.216) 3.637 4.735 ( -2.374 6.497 0.642) 6.947 4.751 ( -1.950 0.484 1.479) 2.495 4.823 ( 1.100 4.004 -3.941) 5.725 4.953 ( -1.287 4.594 4.817) 6.780 5.038 ( -2.019 3.305 -2.143) 4.427 5.143 ( -1.397 4.044 -1.361) 4.489 5.232 ( 0.281 1.152 -2.213) 2.511 5.289 ( -5.825 -1.225 -1.144) 6.062 5.421 ( -0.804 0.117 2.946) 3.056 5.634 ( 1.066 -2.187 0.055) 2.434 5.662 ( 2.498 -0.985 0.421) 2.718 9.222 ( -0.505 0.480 0.123) 0.708 9.250 ( 0.002 0.819 -1.007) 1.298 9.269 ( -1.424 0.160 0.745) 1.615 9.312 ( -0.615 0.404 -0.565) 0.928 9.329 ( -0.971 1.252 3.146) 3.523 9.378 ( -0.463 -0.047 -0.263) 0.535 9.400 ( 0.057 0.943 -0.754) 1.208 9.432 ( 1.579 0.250 0.398) 1.647 9.521 ( -1.285 -2.700 -0.997) 3.152 9.539 ( -1.359 0.003 -0.754) 1.554 9.606 ( -2.088 -3.331 -1.815) 4.331 9.627 ( 0.461 0.096 -1.199) 1.288 9.655 ( -0.210 0.015 -0.292) 0.360 9.724 ( 0.618 -1.021 1.291) 1.758 9.811 ( 0.738 1.908 2.787) 3.458 9.892 ( 3.050 2.634 -1.059) 4.167 ======================= Grid point 60 (28/40) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( -5.386 5.491 3.584) 8.485 0.394 ( -5.611 8.018 3.095) 10.264 0.518 ( -1.077 1.693 -1.145) 2.310 0.564 ( -1.419 2.994 0.769) 3.401 0.644 ( -1.995 1.999 -1.102) 3.031 0.682 ( -1.001 3.620 0.656) 3.812 0.723 ( -1.539 0.831 0.139) 1.754 0.749 ( -2.155 1.439 2.775) 3.796 0.790 ( 3.922 -1.718 -0.755) 4.348 0.796 ( -1.394 2.806 1.487) 3.468 0.826 ( 0.327 -0.919 0.157) 0.988 0.847 ( 1.105 -1.593 -1.052) 2.206 0.878 ( 2.104 0.323 0.854) 2.294 0.896 ( -0.547 1.856 -1.435) 2.408 0.924 ( 1.537 -1.777 -3.448) 4.172 0.939 ( -1.073 -1.965 2.169) 3.118 0.972 ( 0.514 0.739 -1.847) 2.054 0.997 ( -0.143 -1.427 2.814) 3.158 1.030 ( -0.187 -1.068 -1.293) 1.687 1.038 ( -0.019 -0.650 -0.319) 0.725 1.066 ( 4.506 0.369 -0.509) 4.549 1.131 ( 1.121 1.815 0.167) 2.140 1.151 ( 0.807 -0.457 -1.480) 1.747 1.161 ( 1.567 1.464 -0.368) 2.175 1.169 ( -0.447 1.487 -1.250) 1.993 1.208 ( -1.844 -0.277 -2.961) 3.499 1.264 ( -0.937 -2.181 0.346) 2.399 1.275 ( -0.839 -3.191 0.201) 3.305 1.308 ( -1.910 -0.859 0.655) 2.195 1.350 ( -2.809 0.375 -0.533) 2.884 1.367 ( 2.847 1.418 -0.574) 3.232 1.382 ( -1.578 -1.031 0.461) 1.940 1.398 ( 2.668 1.478 -1.129) 3.252 1.430 ( -2.449 -0.998 -0.823) 2.770 1.471 ( 3.200 -1.272 -0.030) 3.443 1.496 ( -0.653 0.890 -0.189) 1.120 1.512 ( -0.939 3.019 0.447) 3.194 1.548 ( 0.445 0.598 1.464) 1.643 1.612 ( 1.480 0.267 -0.892) 1.749 1.628 ( -0.629 -1.041 0.671) 1.389 1.634 ( 0.086 -0.292 0.384) 0.490 1.661 ( -0.422 -0.517 1.378) 1.531 1.726 ( 0.066 0.670 -0.406) 0.786 1.746 ( -0.163 -1.382 0.873) 1.643 1.849 ( 0.097 0.102 -0.812) 0.825 1.870 ( 0.165 -0.617 1.072) 1.247 1.908 ( 0.111 0.739 0.675) 1.007 1.935 ( -1.089 0.564 -0.326) 1.268 2.225 ( 0.034 1.022 0.210) 1.044 2.266 ( -0.913 1.550 -1.220) 2.174 2.323 ( 0.005 0.567 0.120) 0.579 2.378 ( 2.409 1.582 2.213) 3.634 2.455 ( -2.231 0.283 1.302) 2.599 2.480 ( 0.794 1.817 0.529) 2.052 2.504 ( 2.028 2.107 -0.467) 2.961 2.545 ( -2.282 -0.969 -0.326) 2.500 2.583 ( -1.783 -0.684 0.778) 2.062 2.617 ( -2.124 0.240 -0.704) 2.251 2.690 ( -1.938 0.652 0.754) 2.179 2.721 ( -0.722 -1.689 -4.641) 4.991 3.026 ( 2.778 -8.981 -0.161) 9.402 3.085 ( -0.317 -5.912 1.190) 6.039 3.130 ( 2.604 -3.654 1.060) 4.610 3.177 ( 3.107 -5.315 -0.562) 6.182 3.264 ( 3.101 -0.135 0.429) 3.134 3.350 ( 1.564 -3.307 -3.629) 5.153 3.508 ( 4.932 -2.085 2.985) 6.131 3.587 ( 4.261 -1.040 -1.342) 4.586 3.736 ( 0.300 -1.657 0.814) 1.870 3.762 ( 1.503 -3.111 -3.168) 4.687 3.891 ( 1.136 -0.856 1.688) 2.208 3.983 ( 0.125 -1.131 -1.436) 1.833 4.188 ( 1.241 -0.425 1.477) 1.976 4.222 ( 0.263 -1.924 0.962) 2.167 4.239 ( 0.289 -0.960 0.620) 1.179 4.295 ( 0.870 -0.114 1.319) 1.585 4.347 ( -0.377 -2.729 -0.769) 2.860 4.396 ( 0.895 -2.211 -2.514) 3.465 4.433 ( 3.813 -0.370 -1.381) 4.072 4.627 ( 2.423 -0.295 1.986) 3.147 4.631 ( -3.134 2.873 0.290) 4.262 4.691 ( 0.650 0.096 1.740) 1.860 4.759 ( 1.570 0.339 1.458) 2.169 4.809 ( -0.656 1.932 -2.302) 3.076 4.908 ( -3.508 0.893 -0.659) 3.679 4.996 ( -0.999 6.272 -0.529) 6.373 5.120 ( -2.160 3.780 -1.590) 4.635 5.185 ( -1.566 0.784 2.469) 3.027 5.214 ( -1.647 0.116 -4.893) 5.164 5.381 ( -3.852 0.373 0.610) 3.918 5.635 ( -1.043 0.150 1.798) 2.083 5.714 ( 2.296 2.089 -3.510) 4.686 9.217 ( -0.065 0.211 0.143) 0.263 9.230 ( -0.955 0.807 -0.244) 1.274 9.261 ( 0.121 0.396 0.392) 0.570 9.290 ( -1.092 1.200 0.169) 1.631 9.332 ( 0.359 -0.256 3.240) 3.270 9.379 ( -0.058 -0.022 0.918) 0.920 9.396 ( -0.170 0.092 -0.102) 0.219 9.445 ( 0.216 -0.029 -2.021) 2.032 9.492 ( -1.345 -0.767 -0.874) 1.778 9.508 ( -0.282 -0.591 -0.711) 0.966 9.563 ( -1.241 -2.439 -0.124) 2.739 9.613 ( -0.967 -0.244 -1.929) 2.172 9.676 ( 1.591 -0.629 0.278) 1.733 9.728 ( -0.243 -0.556 0.533) 0.807 9.843 ( 0.041 2.255 3.136) 3.863 9.935 ( 1.660 2.672 -3.651) 4.819 ======================= Grid point 61 (29/40) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 2.659 6.636 4.058) 8.220 0.522 ( -0.890 7.234 5.030) 8.856 0.576 ( -1.027 4.122 -0.547) 4.283 0.606 ( 2.289 -0.582 -1.736) 2.931 0.645 ( -3.415 -0.921 -0.857) 3.639 0.684 ( 1.630 -1.022 -1.335) 2.342 0.722 ( -2.506 -1.088 2.106) 3.449 0.747 ( -1.440 -3.010 1.423) 3.627 0.771 ( -0.979 -2.184 1.362) 2.754 0.788 ( 0.770 -0.126 1.115) 1.361 0.826 ( 1.257 -1.832 -0.871) 2.387 0.865 ( 1.558 -1.897 -0.812) 2.586 0.891 ( 0.077 -1.084 -1.382) 1.758 0.908 ( -4.329 -2.975 0.471) 5.274 0.921 ( 3.735 -0.505 -1.578) 4.086 0.952 ( -0.480 3.896 -0.543) 3.963 0.960 ( 0.352 -0.605 -2.464) 2.561 0.975 ( -1.548 2.099 -0.992) 2.791 0.997 ( 2.330 0.617 1.361) 2.768 1.040 ( 0.276 4.275 -1.628) 4.583 1.062 ( 0.264 3.784 2.754) 4.687 1.104 ( 0.325 -1.329 -1.083) 1.745 1.151 ( -0.295 0.552 -0.634) 0.891 1.154 ( -1.346 0.197 0.584) 1.480 1.180 ( 2.439 0.687 -0.176) 2.540 1.197 ( -1.148 -2.070 1.704) 2.916 1.232 ( 0.156 -1.073 -1.632) 1.960 1.239 ( 0.470 1.285 -2.032) 2.450 1.310 ( 1.893 -0.385 0.668) 2.045 1.345 ( -1.577 -1.767 -0.580) 2.438 1.356 ( 0.036 1.012 -1.150) 1.532 1.373 ( -0.972 -0.606 -1.156) 1.627 1.420 ( 0.086 -0.959 1.431) 1.724 1.444 ( 1.508 -1.984 -0.142) 2.496 1.520 ( 0.501 2.000 2.096) 2.941 1.534 ( -2.147 1.020 2.081) 3.159 1.553 ( 0.082 3.084 -0.841) 3.197 1.581 ( 1.013 0.464 -1.610) 1.958 1.622 ( 0.787 0.363 0.809) 1.185 1.631 ( -0.845 1.640 0.208) 1.856 1.644 ( -2.138 0.261 0.421) 2.195 1.664 ( 3.054 0.049 -0.473) 3.091 1.691 ( -0.564 -1.372 0.873) 1.721 1.708 ( 0.184 -2.022 -0.525) 2.097 1.836 ( -1.451 -2.123 0.397) 2.602 1.853 ( 1.549 -2.358 -0.537) 2.872 1.885 ( -0.398 1.284 0.566) 1.459 1.911 ( -1.282 -0.163 -0.749) 1.494 2.261 ( -0.290 2.225 -0.438) 2.286 2.271 ( 0.054 1.632 -0.183) 1.643 2.347 ( -0.448 0.886 1.416) 1.729 2.387 ( 0.391 0.615 -1.253) 1.450 2.484 ( 0.894 0.737 1.925) 2.247 2.521 ( -0.234 1.175 -0.857) 1.473 2.526 ( 1.052 -1.681 2.039) 2.844 2.558 ( -0.657 -0.584 -0.713) 1.132 2.591 ( -0.685 2.343 0.066) 2.442 2.596 ( -0.363 1.248 -0.227) 1.319 2.650 ( -2.501 -0.226 1.758) 3.066 2.710 ( 3.050 -1.822 -2.664) 4.441 2.885 ( 0.799 -6.533 2.507) 7.043 2.924 ( -0.699 -4.831 0.081) 4.882 2.989 ( -1.675 -8.803 1.551) 9.094 3.052 ( 0.723 -8.386 -2.912) 8.907 3.329 ( 0.660 1.671 -0.653) 1.912 3.347 ( -0.015 0.992 -1.748) 2.010 3.558 ( -0.343 -0.541 2.269) 2.358 3.609 ( 0.949 -2.162 -2.028) 3.112 3.691 ( -0.443 -1.755 0.215) 1.822 3.699 ( 0.058 -2.031 -0.308) 2.055 3.924 ( 0.356 -0.033 -0.112) 0.374 3.941 ( -0.224 -1.153 -1.395) 1.824 4.196 ( 0.047 -1.018 0.757) 1.269 4.222 ( 0.168 -1.319 -1.306) 1.864 4.255 ( 0.168 1.244 0.900) 1.545 4.284 ( -0.353 0.260 -1.321) 1.391 4.312 ( -0.409 -1.098 1.153) 1.644 4.356 ( 1.225 -1.318 -1.853) 2.583 4.508 ( 3.491 -0.025 2.506) 4.298 4.539 ( -3.942 -0.316 -0.233) 3.961 4.664 ( -0.251 -1.262 3.773) 3.986 4.735 ( 1.050 -2.468 -1.831) 3.248 4.792 ( 0.921 -1.089 0.491) 1.509 4.808 ( -2.778 0.221 -0.799) 2.899 4.915 ( 3.099 3.656 1.009) 4.897 4.944 ( -2.048 3.219 -1.336) 4.043 5.186 ( -0.350 -0.092 0.514) 0.629 5.204 ( -0.508 0.311 -0.937) 1.111 5.240 ( 2.058 6.340 3.239) 7.411 5.340 ( -1.785 3.281 -4.803) 6.084 5.641 ( -1.030 -0.582 3.622) 3.810 5.732 ( 0.801 -3.102 -3.917) 5.061 9.227 ( 0.281 0.606 0.121) 0.678 9.236 ( -0.110 0.844 -0.661) 1.077 9.284 ( 0.686 0.243 0.035) 0.729 9.295 ( -0.418 0.463 -0.860) 1.062 9.342 ( -0.423 0.606 2.431) 2.541 9.377 ( 0.401 0.641 0.510) 0.912 9.401 ( -0.306 0.079 2.296) 2.317 9.431 ( 1.154 -1.964 -1.354) 2.650 9.489 ( 0.840 0.414 0.101) 0.942 9.506 ( -1.985 0.338 -0.566) 2.092 9.539 ( 1.780 0.589 -0.680) 1.995 9.562 ( -1.575 -0.460 -2.255) 2.789 9.675 ( 0.925 -1.849 0.447) 2.115 9.682 ( -0.911 -1.552 -0.229) 1.814 9.909 ( -0.422 2.358 1.995) 3.118 9.960 ( 0.002 -0.028 -2.117) 2.117 ======================= Grid point 62 (30/40) ======================= q-point: ( 0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -2.901 1.937 1.446) 3.776 0.542 ( -0.219 2.385 -1.530) 2.842 0.565 ( 2.239 4.580 3.550) 6.213 0.604 ( -5.140 -3.617 1.444) 6.449 0.640 ( 1.494 2.882 -1.927) 3.775 0.660 ( -0.107 1.086 -0.041) 1.092 0.703 ( -2.953 -3.311 2.071) 4.896 0.728 ( -1.301 -1.795 1.768) 2.835 0.745 ( 0.369 -0.743 0.937) 1.251 0.773 ( -0.564 0.023 -2.599) 2.659 0.841 ( 0.365 -0.725 0.313) 0.870 0.856 ( 0.411 0.613 0.780) 1.074 0.876 ( 2.692 1.013 -1.695) 3.339 0.912 ( 1.312 1.243 0.764) 1.962 0.949 ( -0.487 0.095 -0.794) 0.936 0.975 ( 1.813 -1.233 -1.765) 2.814 0.987 ( 1.542 0.132 -0.529) 1.636 1.010 ( 0.656 1.019 -0.679) 1.389 1.038 ( 0.332 1.506 -1.992) 2.519 1.056 ( 2.574 0.299 -1.397) 2.944 1.104 ( 1.390 1.115 0.649) 1.896 1.119 ( -1.144 1.421 -1.934) 2.658 1.142 ( 0.492 1.967 1.152) 2.331 1.163 ( 2.438 0.106 1.467) 2.847 1.174 ( -0.646 -0.607 1.329) 1.598 1.208 ( 2.612 0.400 0.620) 2.714 1.245 ( 0.077 -1.165 -1.229) 1.695 1.262 ( 1.319 -0.780 -1.491) 2.138 1.291 ( -1.805 -0.275 -0.127) 1.830 1.313 ( -1.094 -0.353 -0.953) 1.493 1.334 ( -0.309 -1.028 1.524) 1.864 1.374 ( 1.245 -0.374 -0.737) 1.494 1.424 ( -0.948 -0.870 0.458) 1.366 1.442 ( -3.869 2.068 1.158) 4.537 1.461 ( 0.283 0.102 -1.211) 1.248 1.524 ( -1.456 1.876 -1.736) 2.942 1.542 ( -1.271 -0.049 1.707) 2.128 1.580 ( -1.321 -0.082 -0.690) 1.492 1.599 ( -1.587 0.101 0.260) 1.611 1.615 ( 0.828 1.166 0.190) 1.443 1.648 ( 0.532 0.593 -0.076) 0.800 1.712 ( 1.600 -2.094 0.291) 2.651 1.713 ( 1.536 1.734 -0.512) 2.372 1.732 ( 1.625 0.357 0.488) 1.733 1.833 ( 0.858 -0.413 0.549) 1.099 1.870 ( 0.654 0.169 0.920) 1.142 1.889 ( 0.323 -1.359 -1.138) 1.802 1.935 ( 2.618 -0.707 1.515) 3.106 2.255 ( -0.607 2.846 0.714) 2.996 2.287 ( 1.057 0.335 -0.932) 1.448 2.331 ( -0.448 2.001 1.333) 2.446 2.411 ( 1.467 0.730 -1.012) 1.926 2.475 ( -2.379 -0.457 0.108) 2.425 2.502 ( -0.807 -0.382 -0.610) 1.081 2.545 ( 0.133 0.153 -0.339) 0.395 2.562 ( 0.754 -2.154 1.771) 2.889 2.581 ( -0.326 1.673 0.030) 1.705 2.592 ( -0.220 0.870 0.956) 1.311 2.623 ( 0.206 1.391 0.296) 1.436 2.737 ( 0.285 -3.273 -1.943) 3.817 2.906 ( -0.941 -4.592 -0.056) 4.688 2.919 ( 0.786 -6.313 1.554) 6.549 2.958 ( -1.729 -7.617 2.236) 8.125 3.033 ( -1.363 -8.241 -1.541) 8.494 3.290 ( -3.278 0.915 -0.992) 3.545 3.293 ( -3.850 0.696 -1.345) 4.137 3.514 ( -5.131 -0.011 2.292) 5.620 3.563 ( -4.530 -1.320 -1.563) 4.970 3.674 ( -0.194 -1.344 -0.273) 1.385 3.707 ( 0.608 -2.740 -1.150) 3.033 3.910 ( -1.471 -0.820 0.443) 1.742 3.915 ( -1.523 -0.731 -1.308) 2.136 4.179 ( -1.518 -1.294 0.611) 2.086 4.195 ( -2.144 -1.005 -0.915) 2.539 4.234 ( -0.232 1.091 -0.214) 1.136 4.293 ( -0.428 -0.382 1.324) 1.443 4.307 ( 0.978 0.305 -1.387) 1.724 4.363 ( -0.234 -1.190 -1.570) 1.984 4.470 ( -2.222 -0.083 -1.840) 2.886 4.562 ( -4.164 -5.008 2.092) 6.841 4.666 ( 1.464 0.137 0.373) 1.517 4.683 ( 2.100 -0.869 3.041) 3.797 4.797 ( 1.432 5.288 1.939) 5.811 4.915 ( 4.807 1.273 -1.523) 5.200 4.957 ( 3.535 2.923 -1.527) 4.834 5.021 ( 5.524 2.006 -0.396) 5.891 5.201 ( 0.802 4.322 1.616) 4.683 5.213 ( 2.013 0.756 0.127) 2.154 5.259 ( -1.252 3.191 -3.254) 4.726 5.319 ( 1.863 -0.699 1.820) 2.697 5.630 ( -1.205 -0.906 2.568) 2.978 5.703 ( -2.204 -2.568 -2.355) 4.123 9.232 ( 0.339 0.749 -0.500) 0.962 9.240 ( 0.633 0.493 -0.145) 0.816 9.289 ( 0.064 0.748 -0.954) 1.214 9.302 ( 0.957 0.011 0.149) 0.968 9.342 ( -0.337 0.437 2.109) 2.180 9.378 ( -1.245 -0.756 -0.886) 1.705 9.396 ( 0.960 1.517 0.571) 1.884 9.461 ( 0.498 -0.119 1.398) 1.489 9.473 ( 0.588 0.215 -1.854) 1.957 9.496 ( -1.338 -1.277 -0.754) 1.997 9.549 ( 1.571 0.239 -0.183) 1.600 9.576 ( 1.411 -0.621 -0.081) 1.543 9.666 ( -0.387 -0.657 -0.271) 0.809 9.704 ( 1.307 -2.042 0.428) 2.462 9.901 ( -1.190 2.155 2.401) 3.439 9.937 ( -1.153 0.444 -1.646) 2.059 ======================= Grid point 63 (31/40) ======================= q-point: ( 0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -0.860 0.377 0.742) 1.197 0.526 ( -1.349 1.149 2.973) 3.461 0.556 ( 0.898 0.109 -1.433) 1.695 0.618 ( 0.595 1.559 2.282) 2.827 0.639 ( 0.508 0.831 1.230) 1.569 0.662 ( -0.156 -0.781 -2.353) 2.485 0.721 ( 0.755 3.735 1.648) 4.152 0.729 ( 3.577 1.133 1.897) 4.205 0.753 ( 0.748 0.503 0.993) 1.341 0.787 ( 1.545 1.505 -0.593) 2.237 0.844 ( -1.459 2.618 -0.067) 2.998 0.867 ( 0.450 -0.917 -1.383) 1.719 0.874 ( -1.325 -0.279 0.413) 1.416 0.921 ( -0.870 1.366 0.451) 1.681 0.950 ( -1.633 1.294 0.458) 2.134 0.967 ( -0.859 -1.455 -1.438) 2.219 0.992 ( 1.062 -1.532 -1.480) 2.381 1.024 ( -0.481 -2.065 -0.666) 2.223 1.038 ( 1.991 0.353 -1.231) 2.367 1.060 ( 0.468 -0.435 -1.069) 1.245 1.096 ( 2.084 -0.533 -1.078) 2.406 1.114 ( -2.055 0.620 1.488) 2.612 1.146 ( -2.128 -0.579 0.587) 2.282 1.185 ( -0.017 -1.623 -1.783) 2.411 1.195 ( 0.425 1.534 2.769) 3.194 1.204 ( -1.305 0.861 -1.248) 2.001 1.242 ( -0.014 -1.870 0.730) 2.007 1.256 ( -0.191 -1.017 -0.782) 1.296 1.288 ( -0.097 -0.036 0.164) 0.194 1.333 ( -0.971 -0.264 1.863) 2.117 1.357 ( 0.699 -0.553 0.772) 1.179 1.385 ( 0.882 0.258 -0.392) 0.999 1.396 ( 2.265 -0.425 -1.929) 3.005 1.437 ( -1.034 -1.463 0.803) 1.963 1.470 ( 3.615 6.145 -0.078) 7.130 1.489 ( -0.522 0.600 -0.899) 1.200 1.518 ( -1.246 1.125 -1.048) 1.979 1.571 ( -0.333 1.693 0.382) 1.767 1.583 ( 0.638 -2.055 -0.367) 2.182 1.632 ( -0.955 0.429 -0.229) 1.071 1.647 ( 0.901 2.064 0.216) 2.262 1.718 ( -0.636 2.393 -0.416) 2.511 1.747 ( -0.390 1.020 0.962) 1.455 1.750 ( 1.712 -1.237 -0.349) 2.141 1.854 ( 0.590 0.826 0.292) 1.057 1.898 ( 1.031 -0.062 -1.384) 1.727 1.901 ( 1.123 0.464 1.581) 1.994 1.958 ( -0.960 0.241 -0.405) 1.070 2.248 ( -0.240 2.270 1.986) 3.026 2.300 ( 0.800 -0.418 -0.779) 1.192 2.349 ( 1.366 1.140 0.958) 2.021 2.417 ( -0.094 1.773 -1.408) 2.266 2.430 ( -1.521 -1.529 0.931) 2.350 2.486 ( -0.331 -1.358 -1.182) 1.831 2.534 ( -0.598 1.527 -0.268) 1.661 2.565 ( -1.792 -0.847 1.187) 2.311 2.587 ( 0.331 -1.569 0.441) 1.663 2.601 ( 0.678 0.025 -0.528) 0.860 2.641 ( 0.613 -1.492 1.461) 2.176 2.712 ( -1.397 -3.617 -1.444) 4.137 2.872 ( -1.834 -3.528 0.820) 4.060 2.931 ( -0.587 -3.680 -0.667) 3.786 2.950 ( 0.059 -8.327 2.693) 8.752 2.995 ( -1.484 -6.297 -0.216) 6.474 3.210 ( -3.225 0.949 0.604) 3.416 3.235 ( -0.857 -1.217 -2.117) 2.588 3.405 ( -4.905 0.117 1.835) 5.238 3.459 ( -4.291 -1.951 -0.748) 4.773 3.673 ( 0.101 -0.372 -0.256) 0.463 3.713 ( 0.777 -2.199 -2.446) 3.379 3.877 ( -1.792 -1.271 0.283) 2.215 3.880 ( -1.064 -1.466 -0.454) 1.867 4.146 ( -1.758 -1.423 0.802) 2.400 4.155 ( -1.339 -0.488 -0.301) 1.457 4.252 ( 1.754 0.861 -0.574) 2.036 4.292 ( 0.256 -0.628 -0.073) 0.682 4.310 ( -0.247 -0.525 -1.229) 1.359 4.343 ( -0.585 -1.862 -1.340) 2.367 4.435 ( -0.407 0.421 -1.921) 2.009 4.468 ( -3.826 -1.964 1.892) 4.699 4.734 ( 3.100 1.130 1.666) 3.697 4.762 ( 2.407 0.195 3.336) 4.118 4.835 ( 0.699 7.341 3.072) 7.988 4.953 ( 1.823 5.884 -7.069) 9.376 5.024 ( 0.674 -0.878 5.114) 5.232 5.104 ( 3.966 1.347 -4.417) 6.087 5.213 ( -0.630 4.505 0.619) 4.591 5.228 ( 0.074 1.968 -3.364) 3.898 5.288 ( 4.754 1.866 1.957) 5.469 5.383 ( 2.787 -3.377 2.960) 5.285 5.611 ( -2.299 -1.184 0.029) 2.586 5.629 ( -3.187 -2.112 -0.650) 3.878 9.240 ( 0.685 0.551 -0.676) 1.108 9.253 ( 0.404 0.376 0.054) 0.554 9.286 ( 0.215 0.786 -0.517) 0.965 9.318 ( 0.468 -0.021 -0.106) 0.480 9.353 ( 0.523 0.668 1.719) 1.917 9.369 ( 0.375 0.086 0.339) 0.513 9.417 ( 0.528 1.574 0.376) 1.702 9.447 ( -1.190 1.083 -0.179) 1.619 9.484 ( 0.748 -2.124 0.860) 2.410 9.510 ( 1.919 -0.783 -0.497) 2.132 9.560 ( 0.280 -0.406 -1.362) 1.448 9.598 ( 0.634 -1.536 0.099) 1.665 9.660 ( -0.228 0.391 -0.054) 0.456 9.718 ( -0.461 -1.787 -0.196) 1.856 9.883 ( -1.332 2.236 1.331) 2.923 9.909 ( -0.766 0.710 -1.067) 1.493 ======================= Grid point 64 (32/40) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.892 2.890 1.673) 3.457 0.512 ( -0.990 3.027 1.041) 3.351 0.552 ( -0.391 3.477 1.756) 3.915 0.592 ( -0.488 1.472 -1.345) 2.052 0.683 ( 1.697 1.102 1.860) 2.748 0.688 ( 1.109 -0.598 0.067) 1.262 0.730 ( 0.965 2.777 1.171) 3.165 0.752 ( -2.855 2.937 -0.404) 4.116 0.796 ( 1.193 1.648 1.051) 2.289 0.804 ( -1.745 0.187 1.111) 2.077 0.829 ( 0.706 -0.211 0.109) 0.745 0.855 ( 1.387 -1.069 -0.265) 1.771 0.867 ( -0.731 1.748 0.960) 2.124 0.889 ( -0.167 -1.247 -2.166) 2.505 0.951 ( -0.734 -1.095 -1.749) 2.190 0.969 ( 2.652 -0.598 -2.495) 3.690 0.978 ( -0.716 -2.334 1.874) 3.078 1.033 ( 2.187 -3.262 -1.069) 4.070 1.046 ( -0.341 -0.796 0.043) 0.867 1.072 ( 0.307 0.389 -2.780) 2.824 1.092 ( -0.857 -0.477 1.858) 2.101 1.125 ( -0.565 -3.272 -0.307) 3.335 1.144 ( 2.599 0.211 -0.006) 2.608 1.163 ( -0.309 1.930 -0.175) 1.963 1.170 ( -1.290 0.027 1.998) 2.378 1.201 ( 0.035 -0.752 -0.069) 0.756 1.210 ( -2.371 -0.419 1.712) 2.954 1.274 ( 0.493 -1.935 1.198) 2.328 1.306 ( 1.721 1.144 0.469) 2.120 1.330 ( -0.489 0.576 2.418) 2.533 1.369 ( -0.290 0.679 0.075) 0.742 1.374 ( -1.610 0.132 -2.323) 2.830 1.407 ( -0.352 -0.437 -2.595) 2.655 1.428 ( 1.632 -0.294 -1.628) 2.324 1.472 ( -1.542 0.027 0.743) 1.712 1.505 ( 1.029 0.210 -2.157) 2.399 1.545 ( 1.000 4.070 1.024) 4.314 1.569 ( -1.945 2.199 -1.074) 3.126 1.589 ( 0.271 0.374 1.626) 1.690 1.611 ( 0.826 1.883 -0.024) 2.057 1.666 ( 0.054 2.201 1.059) 2.443 1.699 ( -0.102 1.959 -1.521) 2.482 1.743 ( -0.366 0.505 1.125) 1.286 1.767 ( 0.140 -0.239 -0.760) 0.809 1.861 ( -0.068 1.476 0.774) 1.668 1.894 ( -0.664 1.261 -2.058) 2.503 1.907 ( -1.553 0.333 1.709) 2.333 1.946 ( 1.574 0.251 -1.143) 1.962 2.262 ( 0.127 1.801 2.294) 2.920 2.307 ( 0.326 -0.489 -1.140) 1.283 2.384 ( 0.598 0.593 0.942) 1.264 2.404 ( -0.428 1.707 -0.322) 1.789 2.436 ( 0.905 -0.785 1.070) 1.606 2.470 ( -0.537 -1.231 -0.973) 1.658 2.529 ( -1.197 -0.164 0.581) 1.341 2.540 ( 1.132 -0.477 -0.096) 1.232 2.579 ( -0.681 -2.609 -0.196) 2.704 2.596 ( -0.082 -0.395 -1.117) 1.188 2.654 ( -0.410 -3.450 1.916) 3.967 2.691 ( 0.172 -3.930 -1.118) 4.089 2.853 ( -0.859 -2.889 2.482) 3.904 2.921 ( 1.031 -2.881 -2.490) 3.945 2.962 ( -0.039 -6.929 1.793) 7.158 2.980 ( -0.019 -5.006 0.203) 5.010 3.177 ( -0.582 0.856 1.387) 1.731 3.232 ( 1.321 -2.387 -2.771) 3.889 3.358 ( -1.183 -0.406 2.732) 3.004 3.407 ( 0.442 -2.572 -1.199) 2.872 3.674 ( 0.134 0.031 0.007) 0.137 3.713 ( 0.495 -1.268 -3.004) 3.298 3.848 ( -1.164 -1.437 1.256) 2.236 3.879 ( 1.232 -2.377 -0.905) 2.826 4.126 ( -0.242 -0.653 0.791) 1.054 4.148 ( 0.998 -1.395 -0.964) 1.967 4.275 ( -0.105 0.880 -0.454) 0.996 4.292 ( 0.768 -1.331 -0.669) 1.676 4.312 ( -0.026 -1.809 -1.102) 2.118 4.318 ( -0.533 -1.550 -0.826) 1.835 4.418 ( -1.701 1.341 1.597) 2.692 4.446 ( 1.518 0.709 -0.790) 1.853 4.783 ( -0.680 2.876 3.997) 4.971 4.796 ( -0.180 1.365 2.497) 2.851 4.836 ( -1.283 4.572 0.836) 4.822 4.955 ( 2.406 7.227 -7.052) 10.380 5.019 ( -3.454 -0.509 5.880) 6.838 5.152 ( 2.487 1.796 -3.926) 4.982 5.199 ( -0.760 1.427 -0.641) 1.739 5.224 ( 0.964 1.743 -2.357) 3.086 5.383 ( 1.979 0.505 3.393) 3.960 5.417 ( -2.015 -0.389 0.770) 2.192 5.556 ( -0.150 -0.802 0.990) 1.282 5.596 ( -0.086 -2.645 -1.765) 3.181 9.248 ( -0.261 0.721 -0.172) 0.786 9.254 ( 0.386 0.384 -0.424) 0.690 9.296 ( 0.447 0.324 0.350) 0.653 9.313 ( -0.494 -0.311 -0.927) 1.095 9.371 ( -0.320 1.659 2.340) 2.886 9.390 ( 0.969 0.221 1.698) 1.968 9.415 ( -0.155 0.961 -0.671) 1.182 9.431 ( -0.409 1.784 -0.850) 2.018 9.496 ( -0.492 -2.381 1.273) 2.744 9.532 ( 0.950 -0.187 -1.454) 1.747 9.577 ( 0.702 -1.569 0.417) 1.769 9.603 ( 0.391 -2.609 -1.142) 2.874 9.660 ( -0.042 -0.162 1.018) 1.032 9.686 ( -1.203 -0.465 -0.957) 1.606 9.869 ( -0.985 2.397 0.881) 2.737 9.896 ( 0.590 1.150 -1.295) 1.830 ======================= Grid point 65 (33/40) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.472 ( 0.109 0.660 0.210) 0.702 0.510 ( -1.741 0.379 3.850) 4.242 0.561 ( -0.836 3.383 -0.695) 3.553 0.612 ( 1.680 1.064 -0.019) 1.989 0.666 ( -2.423 2.217 -0.873) 3.398 0.675 ( -0.350 -2.442 -1.089) 2.697 0.722 ( -1.321 -0.856 2.946) 3.340 0.744 ( -2.196 -0.944 1.136) 2.646 0.760 ( -1.369 2.607 -0.835) 3.061 0.796 ( -0.324 2.166 -0.096) 2.193 0.860 ( -0.090 1.581 -2.477) 2.940 0.870 ( 1.911 0.217 0.450) 1.975 0.880 ( 2.478 0.744 -1.147) 2.830 0.892 ( 0.234 -0.067 1.731) 1.748 0.951 ( 1.821 -0.817 -0.317) 2.021 0.981 ( 1.605 -0.324 -1.846) 2.468 1.018 ( 0.338 1.267 -2.186) 2.549 1.033 ( -1.204 -0.074 -2.103) 2.425 1.044 ( -3.165 1.287 0.233) 3.425 1.052 ( 1.761 -2.457 -0.541) 3.071 1.073 ( -1.128 -0.368 -1.308) 1.766 1.128 ( -1.218 -0.754 1.693) 2.217 1.132 ( 1.088 1.280 1.080) 1.997 1.175 ( 1.268 -0.533 -0.111) 1.380 1.196 ( 1.122 1.302 -1.087) 2.034 1.224 ( 0.228 -1.906 0.797) 2.078 1.226 ( 1.807 -1.633 0.767) 2.553 1.264 ( -1.690 -2.258 2.032) 3.476 1.273 ( -3.495 1.996 -0.628) 4.073 1.330 ( -0.482 0.050 2.098) 2.153 1.363 ( 1.214 0.356 0.059) 1.266 1.368 ( -0.571 -1.438 -0.576) 1.651 1.389 ( 1.279 0.923 -1.596) 2.244 1.444 ( -0.449 -0.210 1.110) 1.216 1.457 ( 0.205 0.189 -0.631) 0.689 1.504 ( -2.834 2.412 -1.497) 4.011 1.531 ( 2.177 -1.268 -1.097) 2.748 1.558 ( -0.168 1.188 0.973) 1.545 1.578 ( -0.230 1.979 -0.010) 1.993 1.634 ( 0.338 1.436 -0.310) 1.507 1.658 ( -0.727 1.105 -0.439) 1.394 1.698 ( -0.671 2.085 0.905) 2.370 1.737 ( -0.539 -0.253 0.471) 0.759 1.758 ( -0.782 0.030 0.224) 0.814 1.858 ( -0.087 1.726 -0.073) 1.730 1.872 ( -0.700 0.871 0.294) 1.155 1.910 ( 0.563 0.750 1.287) 1.592 1.957 ( -0.517 -1.369 -0.729) 1.635 2.273 ( 0.079 2.163 1.570) 2.674 2.305 ( 0.240 0.433 -1.963) 2.025 2.354 ( -2.323 1.255 0.828) 2.767 2.397 ( -0.608 2.017 -0.669) 2.210 2.455 ( 0.772 -1.012 0.713) 1.459 2.468 ( 0.617 -2.716 -1.186) 3.027 2.527 ( 0.329 1.470 0.169) 1.516 2.558 ( 0.202 -0.124 1.990) 2.004 2.594 ( 0.526 0.133 -0.852) 1.010 2.600 ( 1.214 -2.126 0.014) 2.448 2.655 ( 0.188 -3.595 1.765) 4.009 2.692 ( 0.160 -2.944 -1.557) 3.335 2.850 ( -0.442 -3.734 1.786) 4.163 2.958 ( 2.333 -4.791 -0.508) 5.353 2.977 ( 0.082 -6.547 0.203) 6.551 2.985 ( 1.422 -5.436 0.175) 5.622 3.200 ( 2.492 0.923 0.533) 2.710 3.256 ( 2.554 -2.392 -2.847) 4.511 3.390 ( 3.458 0.931 2.595) 4.422 3.463 ( 4.805 -1.996 -0.705) 5.251 3.680 ( 0.359 -1.115 0.009) 1.172 3.705 ( 0.031 -1.819 -2.538) 3.123 3.851 ( 1.145 -0.270 0.646) 1.342 3.910 ( 1.915 -3.099 -1.012) 3.781 4.143 ( 1.564 0.311 -0.247) 1.614 4.175 ( 1.156 -1.892 -0.169) 2.224 4.267 ( 0.268 -0.780 -1.842) 2.018 4.279 ( -1.028 -0.788 -0.047) 1.296 4.305 ( -0.040 -1.089 0.763) 1.330 4.332 ( 1.523 -1.747 -1.756) 2.908 4.402 ( -0.013 2.535 1.064) 2.749 4.492 ( 3.068 -1.235 -0.247) 3.317 4.734 ( -4.072 2.621 1.979) 5.231 4.772 ( -3.449 0.930 2.435) 4.323 4.824 ( -1.539 3.547 3.031) 4.913 4.954 ( -0.665 7.374 -6.321) 9.735 4.975 ( -2.464 -1.193 4.464) 5.236 5.149 ( -0.932 2.648 -2.767) 3.942 5.175 ( -0.938 -0.021 -1.262) 1.572 5.243 ( 0.734 2.637 -0.570) 2.796 5.321 ( -5.076 2.809 -0.186) 5.804 5.395 ( -1.811 -2.409 2.022) 3.629 5.594 ( 1.895 -1.353 0.716) 2.436 5.632 ( 3.886 -1.929 -0.659) 4.388 9.235 ( -0.662 0.679 -0.194) 0.968 9.260 ( 0.139 0.032 -0.483) 0.503 9.282 ( -1.068 0.849 -0.277) 1.393 9.317 ( 0.383 -0.115 -0.117) 0.417 9.361 ( -1.352 2.000 1.066) 2.639 9.384 ( -1.299 0.812 1.033) 1.848 9.412 ( -0.981 -0.179 -0.106) 1.003 9.432 ( 0.955 -0.395 -0.890) 1.364 9.497 ( 0.385 0.871 1.104) 1.458 9.533 ( -0.620 -0.595 -0.594) 1.045 9.547 ( -1.880 -2.248 -1.389) 3.243 9.613 ( 0.391 -2.274 -1.775) 2.911 9.654 ( -0.261 0.691 0.812) 1.097 9.698 ( 0.943 -1.205 1.013) 1.835 9.863 ( 0.403 2.650 1.426) 3.036 9.922 ( 1.987 0.260 -0.760) 2.143 ======================= Grid point 66 (34/40) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -0.903 4.055 1.150) 4.311 0.520 ( 1.541 1.896 1.869) 3.076 0.550 ( -1.008 1.452 3.532) 3.949 0.629 ( -1.751 3.216 -0.512) 3.697 0.654 ( 2.568 -0.370 -1.235) 2.874 0.671 ( 0.860 -2.556 -0.685) 2.783 0.715 ( 1.935 -1.877 1.012) 2.880 0.732 ( 0.578 -1.710 1.183) 2.158 0.755 ( 0.335 -1.000 1.497) 1.831 0.783 ( -0.329 0.756 -2.322) 2.464 0.824 ( -0.987 -1.378 -0.752) 1.855 0.879 ( -0.584 1.066 -2.628) 2.896 0.900 ( -1.199 0.730 2.393) 2.775 0.924 ( -2.137 2.818 -1.799) 3.967 0.926 ( -1.108 -3.278 -0.273) 3.471 0.966 ( 0.053 1.843 -1.631) 2.462 0.991 ( -2.066 0.692 0.606) 2.262 1.004 ( -0.550 2.408 -2.188) 3.300 1.036 ( -0.391 2.863 -0.771) 2.991 1.053 ( -0.511 3.091 1.587) 3.512 1.066 ( -0.343 1.145 -0.888) 1.489 1.115 ( 0.557 -1.266 -0.566) 1.494 1.144 ( -1.290 -0.564 0.312) 1.442 1.177 ( -3.643 -1.930 -0.399) 4.141 1.191 ( 0.217 -0.948 1.004) 1.398 1.206 ( -1.046 0.620 0.352) 1.266 1.222 ( -1.138 -2.181 2.029) 3.189 1.245 ( 2.524 0.479 -1.633) 3.044 1.296 ( -0.476 0.820 0.384) 1.022 1.317 ( 1.809 -1.964 -0.033) 2.671 1.346 ( -0.297 -0.081 -0.617) 0.690 1.395 ( 1.061 -2.499 -1.930) 3.331 1.417 ( -0.512 1.700 1.307) 2.204 1.431 ( 0.079 0.118 -0.024) 0.144 1.461 ( 2.202 0.167 -0.412) 2.246 1.499 ( 2.084 0.690 0.416) 2.234 1.559 ( 0.932 0.610 0.099) 1.119 1.578 ( 1.217 0.222 -0.420) 1.307 1.593 ( 1.835 1.105 0.512) 2.202 1.631 ( -0.177 0.719 -0.829) 1.112 1.640 ( -0.550 0.911 0.105) 1.070 1.677 ( -1.841 0.826 1.962) 2.814 1.720 ( -1.337 -0.552 -0.034) 1.446 1.732 ( -1.971 -0.474 0.360) 2.059 1.849 ( -0.640 -0.158 -0.318) 0.732 1.870 ( -0.695 -0.089 0.299) 0.762 1.895 ( -1.294 -0.450 -0.898) 1.638 1.942 ( -1.096 -0.473 1.302) 1.767 2.271 ( -0.495 2.715 -0.624) 2.829 2.295 ( -1.088 1.215 -0.804) 1.818 2.330 ( 0.111 0.451 1.092) 1.187 2.394 ( 0.301 1.454 -0.039) 1.486 2.464 ( -0.321 -1.254 0.881) 1.566 2.492 ( 1.989 -2.135 0.075) 2.919 2.528 ( -0.470 1.881 0.682) 2.056 2.569 ( 0.046 1.561 0.395) 1.611 2.590 ( 0.252 2.024 -0.159) 2.046 2.607 ( -0.564 -1.078 0.127) 1.224 2.672 ( 0.111 -2.839 0.656) 2.916 2.684 ( 0.225 -1.069 -1.697) 2.018 2.860 ( 0.541 -5.317 1.917) 5.678 2.949 ( -1.816 -5.786 0.913) 6.132 2.994 ( 0.538 -7.950 1.096) 8.044 3.032 ( 2.551 -7.245 -2.709) 8.144 3.275 ( 4.168 1.260 -0.619) 4.398 3.312 ( 3.649 -0.274 -2.066) 4.203 3.501 ( 4.631 0.841 2.879) 5.517 3.561 ( 4.363 -1.538 -1.333) 4.814 3.687 ( 0.330 -2.508 -1.110) 2.763 3.698 ( 0.481 -2.122 -0.351) 2.204 3.893 ( 2.324 0.297 0.046) 2.343 3.937 ( 1.180 -2.448 -1.283) 3.005 4.183 ( 0.798 -0.444 0.175) 0.930 4.187 ( 2.342 -0.321 -0.539) 2.425 4.251 ( -0.666 0.656 -0.596) 1.108 4.285 ( 1.117 -0.816 -0.143) 1.391 4.306 ( -0.340 -1.036 0.807) 1.356 4.351 ( 0.619 -2.158 -1.562) 2.735 4.443 ( 3.091 1.417 0.331) 3.416 4.570 ( 4.023 -3.949 1.134) 5.750 4.655 ( -4.917 1.209 1.478) 5.274 4.711 ( -0.905 -0.866 0.898) 1.541 4.800 ( -2.581 3.292 2.871) 5.074 4.888 ( -1.991 5.057 -2.820) 6.123 4.931 ( -3.764 0.053 1.629) 4.102 5.062 ( -6.251 -1.484 -2.511) 6.898 5.186 ( 1.683 6.905 1.013) 7.178 5.206 ( -2.183 0.970 0.552) 2.452 5.252 ( -2.764 1.734 -0.969) 3.404 5.376 ( -0.088 -0.698 -1.937) 2.061 5.630 ( 0.583 -0.676 2.591) 2.741 5.705 ( 3.417 -2.636 -2.449) 4.962 9.225 ( -0.177 0.579 -0.063) 0.609 9.248 ( -0.690 0.473 -0.660) 1.066 9.274 ( 0.223 0.826 0.122) 0.864 9.311 ( -0.607 0.416 -0.581) 0.937 9.340 ( -0.751 1.324 1.020) 1.832 9.379 ( 0.013 0.009 1.076) 1.076 9.387 ( -1.000 -0.292 1.104) 1.518 9.437 ( -0.344 -1.058 -0.316) 1.157 9.497 ( -0.658 0.648 -1.620) 1.864 9.509 ( 0.249 0.325 -1.261) 1.326 9.536 ( -0.144 -0.076 1.264) 1.274 9.601 ( -0.758 -1.436 -2.056) 2.620 9.658 ( 0.346 -0.436 0.574) 0.800 9.703 ( -0.775 -1.588 0.453) 1.824 9.892 ( 1.048 2.270 1.983) 3.191 9.954 ( 1.466 -0.427 -1.686) 2.275 ======================= Grid point 67 (35/40) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.528 -0.236 0.302) 0.653 0.579 ( 0.528 0.236 0.302) 0.653 0.614 ( 0.557 -2.546 1.589) 3.053 0.614 ( 0.557 2.546 1.589) 3.053 0.650 ( -2.287 -2.926 3.787) 5.304 0.650 ( -2.287 2.926 3.787) 5.304 0.733 ( 1.327 -2.543 0.713) 2.956 0.733 ( 1.327 2.543 0.713) 2.956 0.767 ( -0.538 -1.040 0.776) 1.405 0.767 ( -0.538 1.040 0.776) 1.405 0.818 ( 0.094 -2.918 -1.949) 3.511 0.818 ( 0.094 2.918 -1.949) 3.511 0.862 ( -0.533 -1.937 -2.200) 2.980 0.862 ( -0.533 1.937 -2.200) 2.980 0.906 ( -0.317 -0.935 -2.025) 2.253 0.906 ( -0.317 0.935 -2.025) 2.253 0.995 ( -0.046 -0.749 0.537) 0.923 0.995 ( -0.046 0.749 0.537) 0.923 1.059 ( 1.108 -2.561 -0.623) 2.859 1.059 ( 1.108 2.561 -0.623) 2.859 1.120 ( 0.054 -3.594 0.125) 3.597 1.120 ( 0.054 3.594 0.125) 3.597 1.145 ( -0.377 -1.804 0.097) 1.845 1.145 ( -0.377 1.804 0.097) 1.845 1.199 ( 1.096 -1.000 1.274) 1.956 1.199 ( 1.096 1.000 1.274) 1.956 1.248 ( -0.722 -2.611 -2.253) 3.524 1.248 ( -0.722 2.611 -2.253) 3.524 1.298 ( 1.158 -0.393 -0.437) 1.299 1.298 ( 1.158 0.393 -0.437) 1.299 1.376 ( -1.159 -1.333 0.693) 1.898 1.376 ( -1.159 1.333 0.693) 1.898 1.403 ( 0.869 -1.198 0.627) 1.607 1.403 ( 0.869 1.198 0.627) 1.607 1.539 ( -0.824 -1.798 1.214) 2.321 1.539 ( -0.824 1.798 1.214) 2.321 1.588 ( 0.890 -1.578 0.261) 1.831 1.588 ( 0.890 1.578 0.261) 1.831 1.635 ( -0.036 -1.167 -0.369) 1.225 1.635 ( -0.036 1.167 -0.369) 1.225 1.669 ( -0.083 -0.809 0.244) 0.850 1.669 ( -0.083 0.809 0.244) 0.850 1.677 ( 0.301 -0.037 -0.074) 0.312 1.677 ( 0.301 0.037 -0.074) 0.312 1.814 ( -0.499 -0.723 -0.630) 1.082 1.814 ( -0.499 0.723 -0.630) 1.082 1.904 ( -0.615 -0.587 0.109) 0.858 1.904 ( -0.615 0.587 0.109) 0.858 2.296 ( -0.293 -0.357 -0.849) 0.966 2.296 ( -0.293 0.357 -0.849) 0.966 2.372 ( 0.514 -1.867 1.424) 2.404 2.372 ( 0.514 1.867 1.424) 2.404 2.498 ( 1.050 -0.782 1.239) 1.803 2.498 ( 1.050 0.782 1.239) 1.803 2.535 ( -0.918 -1.069 -0.731) 1.587 2.535 ( -0.918 1.069 -0.731) 1.587 2.611 ( -1.106 -0.520 0.335) 1.268 2.611 ( -1.106 0.520 0.335) 1.268 2.667 ( 0.800 -2.042 -0.135) 2.197 2.667 ( 0.800 2.042 -0.135) 2.197 2.848 ( -0.334 -2.732 3.070) 4.124 2.848 ( -0.334 2.732 3.070) 4.124 2.923 ( 0.001 -3.344 -2.871) 4.407 2.923 ( 0.001 3.344 -2.871) 4.407 3.357 ( 0.388 -0.482 -1.318) 1.457 3.357 ( 0.388 0.482 -1.318) 1.457 3.564 ( 0.195 -1.437 -0.123) 1.456 3.564 ( 0.195 1.437 -0.123) 1.456 3.677 ( -0.104 -0.326 0.263) 0.432 3.677 ( -0.104 0.326 0.263) 0.432 3.925 ( 0.179 -0.334 -0.701) 0.797 3.925 ( 0.179 0.334 -0.701) 0.797 4.194 ( -0.027 -0.888 -0.487) 1.014 4.194 ( -0.027 0.888 -0.487) 1.014 4.283 ( -0.783 -1.523 1.122) 2.047 4.283 ( -0.783 1.523 1.122) 2.047 4.320 ( 1.650 -2.201 -1.937) 3.365 4.320 ( 1.650 2.201 -1.937) 3.365 4.517 ( -0.355 -1.125 1.718) 2.084 4.517 ( -0.355 1.125 1.718) 2.084 4.671 ( -0.871 -2.048 0.538) 2.290 4.671 ( -0.871 2.048 0.538) 2.290 4.801 ( 0.107 -0.820 0.281) 0.873 4.801 ( 0.107 0.820 0.281) 0.873 4.975 ( 0.913 -1.098 -0.032) 1.429 4.975 ( 0.913 1.098 -0.032) 1.429 5.183 ( -0.460 -1.046 -0.701) 1.341 5.183 ( -0.460 1.046 -0.701) 1.341 5.362 ( -0.180 -3.064 0.838) 3.181 5.362 ( -0.180 3.064 0.838) 3.181 5.650 ( -0.101 -3.042 -1.004) 3.205 5.650 ( -0.101 3.042 -1.004) 3.205 9.241 ( 0.176 -0.527 0.046) 0.557 9.241 ( 0.176 0.527 0.046) 0.557 9.290 ( 0.040 -0.614 -1.171) 1.323 9.290 ( 0.040 0.614 -1.171) 1.323 9.375 ( -0.473 -1.688 0.413) 1.801 9.375 ( -0.473 1.688 0.413) 1.801 9.404 ( 0.913 -0.538 2.134) 2.382 9.404 ( 0.913 0.538 2.134) 2.382 9.502 ( -0.260 -0.671 0.038) 0.720 9.502 ( -0.260 0.671 0.038) 0.720 9.549 ( -0.292 -0.480 -2.135) 2.208 9.549 ( -0.292 0.480 -2.135) 2.208 9.660 ( -0.099 -0.433 0.361) 0.573 9.660 ( -0.099 0.433 0.361) 0.573 9.944 ( -0.064 -1.237 0.015) 1.238 9.944 ( -0.064 1.237 0.015) 1.238 ======================= Grid point 69 (36/40) ======================= q-point: ( 0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( -3.520 -2.398 0.098) 4.260 0.523 ( -3.520 2.398 0.098) 4.260 0.605 ( -2.136 -2.495 1.385) 3.565 0.605 ( -2.136 2.495 1.385) 3.565 0.637 ( -0.572 -2.084 2.058) 2.984 0.637 ( -0.572 2.084 2.058) 2.984 0.725 ( -0.284 -1.534 1.272) 2.013 0.725 ( -0.284 1.534 1.272) 2.013 0.761 ( 1.253 -2.235 0.619) 2.636 0.761 ( 1.253 2.235 0.619) 2.636 0.839 ( 2.341 -5.145 -4.919) 7.494 0.839 ( 2.341 5.145 -4.919) 7.494 0.904 ( 2.957 -1.596 1.770) 3.798 0.904 ( 2.957 1.596 1.770) 3.798 0.939 ( 0.567 -1.247 0.052) 1.370 0.939 ( 0.567 1.247 0.052) 1.370 1.023 ( 2.300 -1.943 -1.474) 3.353 1.023 ( 2.300 1.943 -1.474) 3.353 1.068 ( -1.785 -3.481 -0.262) 3.920 1.068 ( -1.785 3.481 -0.262) 3.920 1.116 ( -0.433 -2.672 -0.590) 2.770 1.116 ( -0.433 2.672 -0.590) 2.770 1.135 ( 2.080 -1.928 -0.060) 2.836 1.135 ( 2.080 1.928 -0.060) 2.836 1.213 ( -1.435 -3.035 -0.251) 3.366 1.213 ( -1.435 3.035 -0.251) 3.366 1.236 ( 0.271 -1.839 0.685) 1.981 1.236 ( 0.271 1.839 0.685) 1.981 1.289 ( -1.355 -0.536 -1.227) 1.905 1.289 ( -1.355 0.536 -1.227) 1.905 1.358 ( 0.830 -1.575 -0.384) 1.821 1.358 ( 0.830 1.575 -0.384) 1.821 1.432 ( 0.144 -1.369 1.028) 1.719 1.432 ( 0.144 1.369 1.028) 1.719 1.512 ( -0.928 -2.565 1.227) 2.991 1.512 ( -0.928 2.565 1.227) 2.991 1.564 ( -1.712 -0.655 -2.019) 2.727 1.564 ( -1.712 0.655 -2.019) 2.727 1.626 ( -0.982 -0.533 0.517) 1.231 1.626 ( -0.982 0.533 0.517) 1.231 1.667 ( 1.343 -1.735 0.262) 2.209 1.667 ( 1.343 1.735 0.262) 2.209 1.734 ( 2.473 -0.495 -0.136) 2.526 1.734 ( 2.473 0.495 -0.136) 2.526 1.834 ( 1.964 -1.116 0.178) 2.266 1.834 ( 1.964 1.116 0.178) 2.266 1.910 ( 1.099 -1.620 1.082) 2.237 1.910 ( 1.099 1.620 1.082) 2.237 2.290 ( -0.267 -0.468 -0.243) 0.591 2.290 ( -0.267 0.468 -0.243) 0.591 2.389 ( 0.129 -3.267 0.714) 3.346 2.389 ( 0.129 3.267 0.714) 3.346 2.485 ( -1.391 -1.696 -2.117) 3.049 2.485 ( -1.391 1.696 -2.117) 3.049 2.531 ( 0.445 -0.450 1.901) 2.004 2.531 ( 0.445 0.450 1.901) 2.004 2.603 ( -0.324 -0.867 0.900) 1.291 2.603 ( -0.324 0.867 0.900) 1.291 2.667 ( -0.654 -3.061 -0.550) 3.178 2.667 ( -0.654 3.061 -0.550) 3.178 2.853 ( -0.885 -1.172 2.859) 3.214 2.853 ( -0.885 1.172 2.859) 3.214 2.909 ( 0.101 -3.125 -2.084) 3.758 2.909 ( 0.101 3.125 -2.084) 3.758 3.304 ( -4.015 -0.172 -1.367) 4.245 3.304 ( -4.015 0.172 -1.367) 4.245 3.529 ( -4.278 -1.522 0.534) 4.572 3.529 ( -4.278 1.522 0.534) 4.572 3.669 ( 0.108 -0.870 -0.772) 1.169 3.669 ( 0.108 0.870 -0.772) 1.169 3.904 ( -1.619 -0.214 -0.648) 1.757 3.904 ( -1.619 0.214 -0.648) 1.757 4.174 ( -1.364 -0.683 -0.209) 1.540 4.174 ( -1.364 0.683 -0.209) 1.540 4.266 ( -0.589 -1.730 0.040) 1.828 4.266 ( -0.589 1.730 0.040) 1.828 4.335 ( 0.336 -1.662 -1.895) 2.542 4.335 ( 0.336 1.662 -1.895) 2.542 4.486 ( -3.403 -2.049 0.978) 4.091 4.486 ( -3.403 2.049 0.978) 4.091 4.670 ( 2.493 -0.385 1.897) 3.156 4.670 ( 2.493 0.385 1.897) 3.156 4.879 ( 4.421 -3.117 1.924) 5.742 4.879 ( 4.421 3.117 1.924) 5.742 5.031 ( 4.144 -2.637 -3.476) 6.017 5.031 ( 4.144 2.637 -3.476) 6.017 5.216 ( 3.559 -1.131 1.037) 3.876 5.216 ( 3.559 1.131 1.037) 3.876 5.328 ( -3.006 -1.121 0.413) 3.235 5.328 ( -3.006 1.121 0.413) 3.235 5.634 ( -1.167 -2.408 -0.251) 2.687 5.634 ( -1.167 2.408 -0.251) 2.687 9.245 ( 0.327 -0.234 -0.312) 0.509 9.245 ( 0.327 0.234 -0.312) 0.509 9.296 ( 0.843 -0.260 -0.787) 1.182 9.296 ( 0.843 0.260 -0.787) 1.182 9.361 ( -0.736 -0.987 0.782) 1.458 9.361 ( -0.736 0.987 0.782) 1.458 9.436 ( 1.210 -1.840 0.236) 2.214 9.436 ( 1.210 1.840 0.236) 2.214 9.482 ( -1.042 -0.335 -0.053) 1.096 9.482 ( -1.042 0.335 -0.053) 1.096 9.558 ( 1.099 -0.919 -0.483) 1.512 9.558 ( 1.099 0.919 -0.483) 1.512 9.670 ( 0.763 -1.047 0.459) 1.375 9.670 ( 0.763 1.047 0.459) 1.375 9.931 ( -1.036 -0.879 0.103) 1.363 9.931 ( -1.036 0.879 0.103) 1.363 ======================= Grid point 71 (37/40) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 1.785 -2.804 1.189) 3.531 0.506 ( 1.785 2.804 1.189) 3.531 0.587 ( 0.712 -2.035 0.304) 2.178 0.587 ( 0.712 2.035 0.304) 2.178 0.660 ( 1.525 -1.228 1.105) 2.248 0.660 ( 1.525 1.228 1.105) 2.248 0.741 ( 0.903 -1.528 0.063) 1.776 0.741 ( 0.903 1.528 0.063) 1.776 0.801 ( 1.644 -2.702 1.478) 3.491 0.801 ( 1.644 2.702 1.478) 3.491 0.863 ( 0.938 -3.017 -1.225) 3.389 0.863 ( 0.938 3.017 -1.225) 3.389 0.913 ( -2.147 -1.851 0.006) 2.834 0.913 ( -2.147 1.851 0.006) 2.834 0.942 ( 0.254 -2.091 0.005) 2.107 0.942 ( 0.254 2.091 0.005) 2.107 1.004 ( -3.280 -1.778 -1.540) 4.037 1.004 ( -3.280 1.778 -1.540) 4.037 1.036 ( -0.733 -0.420 -0.602) 1.037 1.036 ( -0.733 0.420 -0.602) 1.037 1.092 ( 0.109 -1.128 -0.227) 1.155 1.092 ( 0.109 1.128 -0.227) 1.155 1.142 ( -3.189 -2.529 1.127) 4.223 1.142 ( -3.189 2.529 1.127) 4.223 1.222 ( 1.118 -0.976 -0.366) 1.529 1.222 ( 1.118 0.976 -0.366) 1.529 1.236 ( 1.522 -1.468 0.351) 2.144 1.236 ( 1.522 1.468 0.351) 2.144 1.302 ( 1.617 -2.028 0.235) 2.605 1.302 ( 1.617 2.028 0.235) 2.605 1.377 ( 0.377 -1.571 -1.529) 2.224 1.377 ( 0.377 1.571 -1.529) 2.224 1.400 ( -1.421 -1.545 0.975) 2.315 1.400 ( -1.421 1.545 0.975) 2.315 1.507 ( -0.992 -1.751 -0.870) 2.192 1.507 ( -0.992 1.751 -0.870) 2.192 1.567 ( 2.722 -1.664 -0.391) 3.214 1.567 ( 2.722 1.664 -0.391) 3.214 1.615 ( -0.574 -1.997 0.720) 2.200 1.615 ( -0.574 1.997 0.720) 2.200 1.701 ( 1.757 -2.733 0.117) 3.251 1.701 ( 1.757 2.733 0.117) 3.251 1.758 ( 0.168 -0.546 -0.180) 0.599 1.758 ( 0.168 0.546 -0.180) 0.599 1.870 ( 1.142 -1.264 0.480) 1.770 1.870 ( 1.142 1.264 0.480) 1.770 1.940 ( 0.752 -1.927 -0.142) 2.074 1.940 ( 0.752 1.927 -0.142) 2.074 2.281 ( -0.389 -1.169 0.542) 1.346 2.281 ( -0.389 1.169 0.542) 1.346 2.383 ( -0.463 -2.230 1.071) 2.517 2.383 ( -0.463 2.230 1.071) 2.517 2.461 ( -0.068 -1.541 -1.812) 2.380 2.461 ( -0.068 1.541 -1.812) 2.380 2.547 ( -0.416 -0.843 0.550) 1.089 2.547 ( -0.416 0.843 0.550) 1.089 2.592 ( -0.812 -2.021 0.772) 2.311 2.592 ( -0.812 2.021 0.772) 2.311 2.640 ( -1.447 -2.827 -0.661) 3.244 2.640 ( -1.447 2.827 -0.661) 3.244 2.845 ( -0.800 -1.583 2.688) 3.221 2.845 ( -0.800 1.583 2.688) 3.221 2.907 ( 0.275 -1.704 -1.240) 2.125 2.907 ( 0.275 1.704 -1.240) 2.125 3.226 ( -2.318 -0.391 -1.112) 2.600 3.226 ( -2.318 0.391 -1.112) 2.600 3.423 ( -5.125 -1.453 0.897) 5.402 3.423 ( -5.125 1.453 0.897) 5.402 3.679 ( 1.019 -0.923 -1.324) 1.909 3.679 ( 1.019 0.923 -1.324) 1.909 3.865 ( -1.557 -0.055 -0.796) 1.750 3.865 ( -1.557 0.055 -0.796) 1.750 4.143 ( -1.510 -0.640 0.127) 1.645 4.143 ( -1.510 0.640 0.127) 1.645 4.268 ( 0.818 -1.251 -0.713) 1.656 4.268 ( 0.818 1.251 -0.713) 1.656 4.317 ( -0.855 -0.888 -1.223) 1.736 4.317 ( -0.855 0.888 -1.223) 1.736 4.442 ( -0.976 -0.646 0.705) 1.366 4.442 ( -0.976 0.646 0.705) 1.366 4.752 ( 3.353 -0.757 2.452) 4.223 4.752 ( 3.353 0.757 2.452) 4.223 4.955 ( 0.734 -4.611 4.418) 6.428 4.955 ( 0.734 4.611 4.418) 6.428 5.075 ( 3.136 -4.760 -7.139) 9.136 5.075 ( 3.136 4.760 -7.139) 9.136 5.265 ( -1.795 -1.098 -1.088) 2.369 5.265 ( -1.795 1.098 -1.088) 2.369 5.325 ( 4.392 -1.666 3.343) 5.765 5.325 ( 4.392 1.666 3.343) 5.765 5.597 ( -2.301 -0.543 -0.283) 2.382 5.597 ( -2.301 0.543 -0.283) 2.382 9.252 ( 0.498 -0.445 -0.500) 0.834 9.252 ( 0.498 0.445 -0.500) 0.834 9.306 ( 0.345 -0.996 -0.566) 1.197 9.306 ( 0.345 0.996 -0.566) 1.197 9.365 ( 0.629 -0.421 1.381) 1.575 9.365 ( 0.629 0.421 1.381) 1.575 9.445 ( -0.129 -1.260 -0.379) 1.322 9.445 ( -0.129 1.260 -0.379) 1.322 9.488 ( 1.162 -1.738 0.968) 2.304 9.488 ( 1.162 1.738 0.968) 2.304 9.563 ( -0.185 -1.303 -0.942) 1.619 9.563 ( -0.185 1.303 -0.942) 1.619 9.682 ( -0.160 -1.577 0.364) 1.627 9.682 ( -0.160 1.577 0.364) 1.627 9.912 ( -0.702 -0.568 -0.238) 0.934 9.912 ( -0.702 0.568 -0.238) 0.934 ======================= Grid point 73 (38/40) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -0.151 -0.806 1.815) 1.991 0.549 ( -0.151 0.806 1.815) 1.991 0.638 ( 1.176 -2.740 0.336) 3.001 0.638 ( 1.176 2.740 0.335) 3.001 0.657 ( -0.300 -2.909 -0.525) 2.972 0.657 ( -0.300 2.909 -0.525) 2.972 0.766 ( -0.597 -1.541 0.974) 1.918 0.766 ( -0.597 1.541 0.974) 1.918 0.827 ( 1.388 -0.771 0.426) 1.644 0.827 ( 1.388 0.771 0.426) 1.644 0.841 ( -1.036 -0.171 0.559) 1.189 0.841 ( -1.036 0.171 0.559) 1.189 0.889 ( -0.701 -4.583 2.058) 5.073 0.889 ( -0.701 4.583 2.058) 5.073 0.920 ( -0.922 -1.931 -2.805) 3.528 0.920 ( -0.922 1.931 -2.805) 3.528 0.959 ( 1.593 -1.433 -1.237) 2.474 0.959 ( 1.593 1.433 -1.237) 2.474 1.054 ( 0.777 -1.206 -1.843) 2.336 1.054 ( 0.777 1.206 -1.843) 2.336 1.079 ( 0.513 -0.922 0.741) 1.289 1.079 ( 0.513 0.922 0.741) 1.289 1.154 ( 2.347 -0.490 -0.126) 2.401 1.154 ( 2.347 0.490 -0.126) 2.401 1.205 ( -2.064 -0.929 1.058) 2.498 1.205 ( -2.064 0.929 1.058) 2.498 1.221 ( -2.304 -2.376 2.557) 4.182 1.221 ( -2.304 2.376 2.557) 4.182 1.340 ( 1.148 -1.095 -0.710) 1.738 1.340 ( 1.148 1.095 -0.710) 1.738 1.366 ( 0.146 -1.330 -1.316) 1.877 1.366 ( 0.146 1.330 -1.316) 1.877 1.410 ( -0.170 -1.025 0.250) 1.068 1.410 ( -0.170 1.025 0.250) 1.068 1.482 ( -0.220 -1.377 -1.219) 1.852 1.482 ( -0.220 1.377 -1.219) 1.852 1.592 ( -0.497 -0.601 -0.083) 0.784 1.592 ( -0.497 0.601 -0.083) 0.784 1.622 ( 0.763 -1.460 0.680) 1.782 1.622 ( 0.763 1.460 0.680) 1.782 1.730 ( 0.452 -1.094 -0.015) 1.184 1.730 ( 0.452 1.094 -0.015) 1.184 1.749 ( -0.805 -0.845 0.211) 1.186 1.749 ( -0.805 0.845 0.211) 1.186 1.888 ( 0.553 -1.203 0.800) 1.547 1.888 ( 0.553 1.203 0.800) 1.547 1.932 ( -0.745 -1.385 -1.328) 2.058 1.932 ( -0.745 1.385 -1.328) 2.058 2.286 ( 0.461 -1.037 0.581) 1.275 2.286 ( 0.461 1.037 0.581) 1.275 2.400 ( 1.048 -1.296 2.095) 2.677 2.400 ( 1.048 1.296 2.095) 2.677 2.448 ( -0.748 -1.283 -1.813) 2.344 2.448 ( -0.748 1.283 -1.813) 2.344 2.528 ( -0.392 -0.403 -0.231) 0.608 2.528 ( -0.392 0.403 -0.231) 0.608 2.575 ( -0.782 -1.915 0.275) 2.086 2.575 ( -0.782 1.915 0.275) 2.086 2.623 ( 0.190 -1.684 -0.225) 1.710 2.623 ( 0.190 1.684 -0.225) 1.710 2.847 ( -0.498 -2.630 2.840) 3.903 2.847 ( -0.498 2.630 2.840) 3.903 2.911 ( 0.857 -1.414 -1.670) 2.350 2.911 ( 0.857 1.414 -1.670) 2.350 3.202 ( 0.175 -1.160 -0.894) 1.475 3.202 ( 0.175 1.160 -0.894) 1.475 3.368 ( -0.228 -1.232 0.892) 1.538 3.368 ( -0.228 1.232 0.892) 1.538 3.687 ( 0.180 -1.029 -1.172) 1.570 3.687 ( 0.180 1.029 -1.172) 1.570 3.845 ( 0.149 -0.843 -0.849) 1.206 3.845 ( 0.149 0.843 -0.849) 1.206 4.129 ( 0.343 -0.726 0.040) 0.804 4.129 ( 0.343 0.726 0.040) 0.804 4.275 ( -0.312 -0.262 -0.317) 0.516 4.275 ( -0.312 0.262 -0.317) 0.516 4.302 ( 0.107 -0.511 -1.153) 1.265 4.302 ( 0.107 0.511 -1.153) 1.265 4.441 ( 0.283 -0.845 0.533) 1.038 4.441 ( 0.283 0.845 0.533) 1.038 4.805 ( 0.314 -0.332 2.273) 2.318 4.805 ( 0.314 0.332 2.273) 2.318 4.942 ( -3.113 -4.512 4.134) 6.866 4.942 ( -3.113 4.512 4.134) 6.866 5.106 ( 2.355 -4.966 -5.963) 8.109 5.106 ( 2.355 4.966 -5.963) 8.109 5.236 ( -0.262 -0.534 -1.091) 1.243 5.236 ( -0.262 0.534 -1.091) 1.243 5.402 ( 0.431 -1.044 2.979) 3.186 5.402 ( 0.431 1.044 2.979) 3.186 5.557 ( -0.273 -1.048 -0.812) 1.354 5.557 ( -0.273 1.048 -0.812) 1.354 9.258 ( 0.144 -0.111 -0.342) 0.387 9.258 ( 0.144 0.111 -0.342) 0.387 9.304 ( -0.161 -0.495 -0.434) 0.678 9.304 ( -0.161 0.495 -0.434) 0.678 9.393 ( 0.914 -0.291 2.079) 2.290 9.393 ( 0.914 0.291 2.079) 2.290 9.433 ( -0.774 -1.207 -0.908) 1.697 9.433 ( -0.774 1.207 -0.908) 1.697 9.514 ( 0.198 -3.179 1.320) 3.448 9.514 ( 0.198 3.179 1.320) 3.448 9.554 ( 0.283 -1.688 -1.480) 2.263 9.554 ( 0.283 1.688 -1.480) 2.263 9.673 ( -0.443 -0.873 0.345) 1.038 9.673 ( -0.443 0.873 0.345) 1.038 9.901 ( -0.122 -0.678 -0.521) 0.863 9.901 ( -0.122 0.678 -0.521) 0.863 ======================= Grid point 75 (39/40) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -2.855 -1.697 1.226) 3.541 0.508 ( -2.855 1.697 1.226) 3.541 0.602 ( -1.314 -2.317 -0.533) 2.717 0.602 ( -1.314 2.317 -0.533) 2.717 0.670 ( -0.634 -3.546 0.864) 3.705 0.670 ( -0.634 3.546 0.864) 3.705 0.712 ( -2.946 -1.604 0.652) 3.418 0.712 ( -2.946 1.604 0.652) 3.418 0.819 ( -1.545 -1.999 0.405) 2.558 0.819 ( -1.545 1.999 0.405) 2.558 0.887 ( 0.881 -1.546 -0.316) 1.807 0.887 ( 0.881 1.546 -0.316) 1.807 0.907 ( 0.831 -2.384 -1.270) 2.826 0.907 ( 0.831 2.384 -1.270) 2.826 0.940 ( 3.362 -1.640 0.825) 3.831 0.940 ( 3.362 1.640 0.825) 3.831 1.000 ( 1.907 -0.673 -1.898) 2.773 1.000 ( 1.907 0.673 -1.898) 2.773 1.050 ( 1.658 -1.364 -1.891) 2.861 1.050 ( 1.658 1.364 -1.891) 2.861 1.095 ( -0.458 -1.878 -0.633) 2.034 1.095 ( -0.458 1.878 -0.633) 2.034 1.169 ( 0.284 -1.315 1.668) 2.143 1.169 ( 0.284 1.315 1.668) 2.143 1.187 ( 0.396 -1.370 -0.087) 1.428 1.187 ( 0.396 1.370 -0.087) 1.428 1.220 ( -1.015 -1.611 1.647) 2.518 1.220 ( -1.015 1.611 1.647) 2.518 1.328 ( -2.402 -1.707 0.347) 2.967 1.328 ( -2.402 1.707 0.347) 2.967 1.351 ( -0.055 -1.173 -1.450) 1.866 1.351 ( -0.055 1.173 -1.450) 1.866 1.408 ( 1.286 -1.396 0.213) 1.910 1.408 ( 1.286 1.396 0.213) 1.910 1.495 ( 0.917 -1.403 -0.119) 1.680 1.495 ( 0.917 1.403 -0.119) 1.680 1.562 ( -2.265 -1.683 -0.009) 2.822 1.562 ( -2.265 1.683 -0.009) 2.822 1.632 ( 0.256 -2.116 -0.303) 2.152 1.632 ( 0.256 2.116 -0.303) 2.152 1.702 ( -2.067 -2.430 0.080) 3.192 1.702 ( -2.067 2.430 0.080) 3.192 1.744 ( -0.609 -1.201 0.611) 1.479 1.744 ( -0.609 1.201 0.611) 1.479 1.892 ( -0.864 -0.501 -1.127) 1.506 1.892 ( -0.864 0.501 -1.127) 1.506 1.917 ( -0.244 -1.057 1.503) 1.854 1.917 ( -0.244 1.057 1.503) 1.854 2.299 ( 0.686 -0.546 -0.397) 0.962 2.299 ( 0.686 0.546 -0.397) 0.962 2.401 ( -1.572 -2.865 0.341) 3.286 2.401 ( -1.572 2.865 0.341) 3.286 2.434 ( 0.525 -1.171 -0.544) 1.394 2.434 ( 0.525 1.171 -0.544) 1.394 2.551 ( 1.921 -1.568 0.092) 2.482 2.551 ( 1.921 1.568 0.092) 2.482 2.582 ( 0.707 -2.616 1.841) 3.276 2.582 ( 0.707 2.616 1.841) 3.276 2.632 ( 0.765 -2.602 -0.727) 2.808 2.632 ( 0.765 2.602 -0.727) 2.808 2.848 ( -0.722 -3.384 2.285) 4.147 2.848 ( -0.722 3.384 2.285) 4.147 2.923 ( 1.038 -0.574 -1.709) 2.080 2.923 ( 1.038 0.574 -1.709) 2.080 3.225 ( 2.888 -1.216 -1.150) 3.338 3.225 ( 2.888 1.216 -1.150) 3.338 3.422 ( 4.661 -1.916 0.942) 5.127 3.422 ( 4.661 1.916 0.942) 5.127 3.676 ( -0.448 -0.760 -1.163) 1.460 3.676 ( -0.448 0.760 -1.163) 1.460 3.862 ( 1.771 -1.375 -0.666) 2.339 3.862 ( 1.771 1.375 -0.666) 2.339 4.153 ( 1.721 -0.630 -0.489) 1.897 4.153 ( 1.721 0.630 -0.489) 1.897 4.262 ( -0.379 -0.567 -0.167) 0.702 4.262 ( -0.379 0.567 -0.167) 0.702 4.304 ( 0.385 -0.965 -0.525) 1.164 4.304 ( 0.385 0.965 -0.525) 1.164 4.454 ( 1.003 -2.333 -0.018) 2.539 4.454 ( 1.003 2.333 -0.018) 2.539 4.768 ( -4.571 -1.011 1.644) 4.962 4.768 ( -4.571 1.011 1.644) 4.962 4.914 ( -1.852 -4.312 4.695) 6.638 4.914 ( -1.852 4.312 4.695) 6.638 5.080 ( -2.078 -4.739 -5.142) 7.295 5.080 ( -2.078 4.739 -5.142) 7.295 5.255 ( 2.077 -2.573 -0.197) 3.313 5.255 ( 2.077 2.573 -0.197) 3.313 5.358 ( -4.447 -0.781 0.827) 4.590 5.358 ( -4.447 0.781 0.827) 4.590 5.592 ( 2.857 -1.312 -0.051) 3.144 5.592 ( 2.857 1.312 -0.051) 3.144 9.250 ( -0.566 -0.769 -0.387) 1.030 9.250 ( -0.566 0.769 -0.387) 1.030 9.303 ( 0.140 -1.079 -0.239) 1.114 9.303 ( 0.140 1.079 -0.239) 1.114 9.397 ( -1.368 -0.954 -0.180) 1.678 9.397 ( -1.368 0.954 -0.180) 1.678 9.413 ( -0.678 -1.723 0.575) 1.938 9.413 ( -0.678 1.723 0.575) 1.938 9.514 ( -0.072 -0.626 1.081) 1.252 9.514 ( -0.072 0.626 1.081) 1.252 9.555 ( 0.168 -2.756 -1.777) 3.284 9.555 ( 0.168 2.756 -1.777) 3.284 9.675 ( 0.127 -1.143 0.879) 1.448 9.675 ( 0.127 1.143 0.879) 1.448 9.908 ( 0.914 -1.557 0.003) 1.805 9.908 ( 0.914 1.557 0.003) 1.805 ======================= Grid point 77 (40/40) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 3.037 -1.702 0.619) 3.536 0.513 ( 3.037 1.702 0.619) 3.536 0.594 ( 0.558 -3.265 0.906) 3.434 0.594 ( 0.558 3.265 0.906) 3.434 0.662 ( -0.522 -1.677 2.410) 2.982 0.662 ( -0.522 1.677 2.410) 2.982 0.696 ( 0.659 -0.675 1.751) 1.989 0.696 ( 0.659 0.675 1.751) 1.989 0.778 ( -1.981 -2.161 -0.639) 3.000 0.778 ( -1.981 2.161 -0.639) 3.000 0.846 ( -1.515 -3.828 -3.551) 5.437 0.846 ( -1.515 3.828 -3.551) 5.437 0.914 ( -1.485 -1.412 -0.063) 2.050 0.914 ( -1.485 1.412 -0.063) 2.050 0.967 ( -1.446 -0.980 -0.992) 2.009 0.967 ( -1.446 0.980 -0.992) 2.009 1.001 ( -0.644 -1.541 -0.578) 1.767 1.001 ( -0.644 1.541 -0.578) 1.767 1.079 ( 0.514 -1.641 -0.084) 1.721 1.079 ( 0.514 1.641 -0.084) 1.721 1.106 ( -0.418 -2.547 -0.757) 2.689 1.106 ( -0.418 2.547 -0.757) 2.689 1.134 ( -0.338 -0.396 -0.271) 0.587 1.134 ( -0.338 0.396 -0.271) 0.587 1.188 ( -1.131 -1.381 1.276) 2.195 1.188 ( -1.131 1.381 1.276) 2.195 1.238 ( 2.779 -1.176 0.273) 3.030 1.238 ( 2.779 1.176 0.273) 3.030 1.301 ( -0.915 -2.359 -0.747) 2.638 1.301 ( -0.915 2.359 -0.747) 2.638 1.354 ( 1.240 -0.816 -0.876) 1.724 1.354 ( 1.240 0.816 -0.876) 1.724 1.424 ( -1.468 -0.846 1.491) 2.257 1.424 ( -1.468 0.846 1.491) 2.257 1.508 ( 1.534 -2.216 1.664) 3.167 1.508 ( 1.534 2.216 1.664) 3.167 1.555 ( 1.964 -0.538 -1.544) 2.556 1.555 ( 1.964 0.538 -1.544) 2.556 1.632 ( -0.038 -0.924 0.158) 0.938 1.632 ( -0.038 0.924 0.158) 0.938 1.668 ( -1.109 -1.187 0.140) 1.631 1.668 ( -1.109 1.187 0.140) 1.631 1.720 ( -2.064 -0.435 0.600) 2.193 1.720 ( -2.064 0.435 0.600) 2.193 1.850 ( -2.181 -0.591 -0.760) 2.384 1.850 ( -2.181 0.591 -0.760) 2.384 1.919 ( -0.591 -1.523 0.704) 1.779 1.919 ( -0.591 1.523 0.704) 1.779 2.306 ( 0.245 -0.775 -1.420) 1.636 2.306 ( 0.245 0.775 -1.420) 1.636 2.372 ( -1.472 -3.493 1.864) 4.224 2.372 ( -1.472 3.493 1.864) 4.224 2.457 ( 1.921 -1.540 0.069) 2.463 2.457 ( 1.921 1.540 0.069) 2.463 2.559 ( -0.870 -1.530 -0.717) 1.901 2.559 ( -0.870 1.530 -0.717) 1.901 2.614 ( 0.850 -2.008 2.051) 2.993 2.614 ( 0.850 2.008 2.051) 2.993 2.647 ( 1.024 -2.631 -0.896) 2.962 2.647 ( 1.024 2.631 -0.896) 2.962 2.844 ( -0.676 -3.560 2.594) 4.456 2.844 ( -0.676 3.560 2.594) 4.456 2.930 ( 0.585 -2.164 -2.344) 3.243 2.930 ( 0.585 2.164 -2.344) 3.243 3.303 ( 4.621 -1.041 -1.396) 4.938 3.303 ( 4.621 1.041 -1.396) 4.938 3.527 ( 3.844 -1.543 0.657) 4.194 3.527 ( 3.844 1.543 0.657) 4.194 3.668 ( 0.415 -0.592 -0.645) 0.969 3.668 ( 0.415 0.592 -0.645) 0.969 3.902 ( 2.094 -0.874 -0.565) 2.338 3.902 ( 2.094 0.874 -0.565) 2.338 4.180 ( 1.204 -0.353 -0.509) 1.354 4.180 ( 1.204 0.353 -0.509) 1.354 4.269 ( 1.101 -0.814 -0.015) 1.369 4.269 ( 1.101 0.814 -0.015) 1.369 4.310 ( 0.276 -1.501 -0.512) 1.610 4.310 ( 0.276 1.501 -0.512) 1.610 4.492 ( 2.382 -3.295 0.485) 4.095 4.492 ( 2.382 3.295 0.485) 4.095 4.683 ( -3.181 -1.492 1.194) 3.711 4.683 ( -3.181 1.492 1.194) 3.711 4.871 ( -4.517 -3.498 2.533) 6.249 4.871 ( -4.517 3.498 2.533) 6.249 5.005 ( -2.741 -4.283 -2.100) 5.502 5.005 ( -2.741 4.283 -2.100) 5.502 5.237 ( -3.984 -1.774 -0.282) 4.371 5.237 ( -3.984 1.774 -0.282) 4.371 5.331 ( 2.197 -4.743 0.214) 5.231 5.331 ( 2.197 4.743 0.214) 5.231 5.640 ( 1.633 -2.441 -0.561) 2.990 5.640 ( 1.633 2.441 -0.561) 2.990 9.240 ( -0.193 -0.831 -0.080) 0.857 9.240 ( -0.193 0.831 -0.080) 0.857 9.299 ( -0.228 -1.303 -0.887) 1.592 9.299 ( -0.228 1.303 -0.887) 1.592 9.373 ( -0.261 -0.922 -0.432) 1.051 9.373 ( -0.261 0.922 -0.432) 1.051 9.400 ( -1.110 -1.875 2.171) 3.076 9.400 ( -1.110 1.875 2.171) 3.076 9.511 ( -0.437 -0.408 -0.993) 1.159 9.511 ( -0.437 0.408 -0.993) 1.159 9.556 ( 0.532 -2.133 -0.536) 2.263 9.556 ( 0.532 2.133 -0.536) 2.263 9.671 ( -0.854 -1.384 0.416) 1.679 9.671 ( -0.854 1.384 0.416) 1.679 9.932 ( 1.146 -1.556 0.080) 1.934 9.932 ( 1.146 1.556 0.080) 1.934 =================== 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 3/11664 10.0 5.638 6.853 5.291 0.000 0.469 0.000 3/11664 20.0 1.920 2.281 1.713 0.000 0.100 0.000 3/11664 30.0 1.140 1.349 1.001 0.000 0.052 0.000 3/11664 40.0 0.808 0.958 0.704 0.000 0.035 0.000 3/11664 50.0 0.626 0.745 0.543 0.000 0.026 0.000 3/11664 60.0 0.512 0.610 0.443 0.000 0.020 0.000 3/11664 70.0 0.434 0.518 0.375 0.000 0.017 0.000 3/11664 80.0 0.377 0.451 0.326 0.000 0.014 0.000 3/11664 90.0 0.334 0.400 0.288 0.000 0.012 0.000 3/11664 100.0 0.300 0.359 0.259 0.000 0.011 0.000 3/11664 110.0 0.272 0.327 0.235 0.000 0.010 0.000 3/11664 120.0 0.249 0.300 0.216 0.000 0.009 0.000 3/11664 130.0 0.230 0.277 0.199 0.000 0.008 0.000 3/11664 140.0 0.214 0.257 0.185 0.000 0.007 0.000 3/11664 150.0 0.200 0.241 0.173 0.000 0.007 0.000 3/11664 160.0 0.187 0.226 0.163 0.000 0.006 0.000 3/11664 170.0 0.176 0.213 0.153 0.000 0.006 0.000 3/11664 180.0 0.167 0.202 0.145 0.000 0.006 0.000 3/11664 190.0 0.158 0.191 0.138 0.000 0.005 0.000 3/11664 200.0 0.150 0.182 0.131 0.000 0.005 0.000 3/11664 210.0 0.143 0.174 0.125 0.000 0.005 0.000 3/11664 220.0 0.137 0.166 0.120 0.000 0.005 0.000 3/11664 230.0 0.131 0.159 0.115 0.000 0.004 0.000 3/11664 240.0 0.126 0.152 0.110 0.000 0.004 0.000 3/11664 250.0 0.121 0.147 0.106 0.000 0.004 0.000 3/11664 260.0 0.116 0.141 0.102 0.000 0.004 0.000 3/11664 270.0 0.112 0.136 0.098 0.000 0.004 0.000 3/11664 280.0 0.108 0.131 0.095 0.000 0.004 0.000 3/11664 290.0 0.104 0.127 0.092 0.000 0.004 0.000 3/11664 300.0 0.101 0.123 0.089 0.000 0.003 0.000 3/11664 310.0 0.098 0.119 0.086 0.000 0.003 0.000 3/11664 320.0 0.095 0.115 0.083 0.000 0.003 0.000 3/11664 330.0 0.092 0.112 0.081 0.000 0.003 0.000 3/11664 340.0 0.089 0.109 0.078 0.000 0.003 0.000 3/11664 350.0 0.087 0.106 0.076 0.000 0.003 0.000 3/11664 360.0 0.084 0.103 0.074 0.000 0.003 0.000 3/11664 370.0 0.082 0.100 0.072 0.000 0.003 0.000 3/11664 380.0 0.080 0.098 0.070 0.000 0.003 0.000 3/11664 390.0 0.078 0.095 0.069 0.000 0.003 0.000 3/11664 400.0 0.076 0.093 0.067 0.000 0.003 0.000 3/11664 410.0 0.074 0.091 0.065 0.000 0.003 0.000 3/11664 420.0 0.073 0.088 0.064 0.000 0.002 0.000 3/11664 430.0 0.071 0.086 0.062 0.000 0.002 0.000 3/11664 440.0 0.069 0.085 0.061 0.000 0.002 0.000 3/11664 450.0 0.068 0.083 0.060 0.000 0.002 0.000 3/11664 460.0 0.066 0.081 0.058 0.000 0.002 0.000 3/11664 470.0 0.065 0.079 0.057 0.000 0.002 0.000 3/11664 480.0 0.064 0.078 0.056 0.000 0.002 0.000 3/11664 490.0 0.062 0.076 0.055 0.000 0.002 0.000 3/11664 500.0 0.061 0.075 0.054 0.000 0.002 0.000 3/11664 510.0 0.060 0.073 0.053 0.000 0.002 0.000 3/11664 520.0 0.059 0.072 0.052 0.000 0.002 0.000 3/11664 530.0 0.058 0.070 0.051 0.000 0.002 0.000 3/11664 540.0 0.057 0.069 0.050 0.000 0.002 0.000 3/11664 550.0 0.056 0.068 0.049 0.000 0.002 0.000 3/11664 560.0 0.055 0.067 0.048 0.000 0.002 0.000 3/11664 570.0 0.054 0.066 0.047 0.000 0.002 0.000 3/11664 580.0 0.053 0.064 0.047 0.000 0.002 0.000 3/11664 590.0 0.052 0.063 0.046 0.000 0.002 0.000 3/11664 600.0 0.051 0.062 0.045 0.000 0.002 0.000 3/11664 610.0 0.050 0.061 0.044 0.000 0.002 0.000 3/11664 620.0 0.049 0.060 0.044 0.000 0.002 0.000 3/11664 630.0 0.049 0.059 0.043 0.000 0.002 0.000 3/11664 640.0 0.048 0.059 0.042 0.000 0.002 0.000 3/11664 650.0 0.047 0.058 0.042 0.000 0.002 0.000 3/11664 660.0 0.046 0.057 0.041 0.000 0.002 0.000 3/11664 670.0 0.046 0.056 0.040 0.000 0.002 0.000 3/11664 680.0 0.045 0.055 0.040 0.000 0.002 0.000 3/11664 690.0 0.044 0.054 0.039 0.000 0.002 0.000 3/11664 700.0 0.044 0.054 0.039 0.000 0.002 0.000 3/11664 710.0 0.043 0.053 0.038 0.000 0.001 0.000 3/11664 720.0 0.043 0.052 0.038 0.000 0.001 0.000 3/11664 730.0 0.042 0.051 0.037 0.000 0.001 0.000 3/11664 740.0 0.041 0.051 0.037 0.000 0.001 0.000 3/11664 750.0 0.041 0.050 0.036 0.000 0.001 0.000 3/11664 760.0 0.040 0.049 0.036 0.000 0.001 0.000 3/11664 770.0 0.040 0.049 0.035 0.000 0.001 0.000 3/11664 780.0 0.039 0.048 0.035 0.000 0.001 0.000 3/11664 790.0 0.039 0.048 0.034 0.000 0.001 0.000 3/11664 800.0 0.038 0.047 0.034 0.000 0.001 0.000 3/11664 810.0 0.038 0.046 0.034 0.000 0.001 0.000 3/11664 820.0 0.037 0.046 0.033 0.000 0.001 0.000 3/11664 830.0 0.037 0.045 0.033 0.000 0.001 0.000 3/11664 840.0 0.037 0.045 0.032 0.000 0.001 0.000 3/11664 850.0 0.036 0.044 0.032 0.000 0.001 0.000 3/11664 860.0 0.036 0.044 0.032 0.000 0.001 0.000 3/11664 870.0 0.035 0.043 0.031 0.000 0.001 0.000 3/11664 880.0 0.035 0.043 0.031 0.000 0.001 0.000 3/11664 890.0 0.035 0.042 0.031 0.000 0.001 0.000 3/11664 900.0 0.034 0.042 0.030 0.000 0.001 0.000 3/11664 910.0 0.034 0.041 0.030 0.000 0.001 0.000 3/11664 920.0 0.033 0.041 0.030 0.000 0.001 0.000 3/11664 930.0 0.033 0.040 0.029 0.000 0.001 0.000 3/11664 940.0 0.033 0.040 0.029 0.000 0.001 0.000 3/11664 950.0 0.032 0.040 0.029 0.000 0.001 0.000 3/11664 960.0 0.032 0.039 0.028 0.000 0.001 0.000 3/11664 970.0 0.032 0.039 0.028 0.000 0.001 0.000 3/11664 980.0 0.031 0.038 0.028 0.000 0.001 0.000 3/11664 990.0 0.031 0.038 0.028 0.000 0.001 0.000 3/11664 1000.0 0.031 0.038 0.027 0.000 0.001 0.000 3/11664 Thermal conductivity related properties were written into "kappa-m663.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:12:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|