----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:17:34]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.305317710040178 0.000000000000000 0.000000000000000 b 0.000000000000000 3.775696570000001 0.000000000000000 c -3.451960656731476 0.000000000000000 12.360561012978055 Atomic positions (fractional): *1 In 0.97306733406060 0.25000000000000 0.61329567594019 114.818 2 In 0.02693266593940 0.75000000000000 0.38670432405981 114.818 *3 In 0.98781750134348 0.75000000000000 0.87642859122358 114.818 4 In 0.01218249865652 0.25000000000000 0.12357140877642 114.818 *5 Sn 0.39169402658346 0.25000000000000 0.38608920553905 118.710 *6 Sn 0.68349775607157 0.75000000000000 0.99643252887925 118.710 7 Sn 0.60830597341654 0.75000000000000 0.61391079446095 118.710 *8 Sn 0.66957147714463 0.75000000000000 0.27908892684641 118.710 9 Sn 0.33042852285537 0.25000000000000 0.72091107315359 118.710 10 Sn 0.31650224392843 0.25000000000000 0.00356747112075 118.710 *11 S 0.37661070794564 0.75000000000000 0.52697207863277 32.065 *12 S 0.14234589227078 0.75000000000000 0.06557058346058 32.065 *13 S 0.41164114434993 0.75000000000000 0.25872525030202 32.065 *14 S 0.88420430862538 0.75000000000000 0.18009781002874 32.065 15 S 0.58835885565007 0.25000000000000 0.74127474969798 32.065 *16 S 0.84549135501578 0.75000000000000 0.67401267040512 32.065 *17 S 0.87835853441611 0.25000000000000 0.40991038561583 32.065 18 S 0.11579569137462 0.25000000000000 0.81990218997126 32.065 19 S 0.15450864498421 0.25000000000000 0.32598732959489 32.065 20 S 0.12164146558389 0.75000000000000 0.59008961438417 32.065 21 S 0.85765410772922 0.25000000000000 0.93442941653942 32.065 *22 S 0.59886336441977 0.25000000000000 0.11850278459551 32.065 23 S 0.40113663558023 0.75000000000000 0.88149721540449 32.065 24 S 0.62338929205436 0.25000000000000 0.47302792136723 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.305317710040178 0.000000000000000 0.000000000000000 b 0.000000000000000 3.775696570000001 0.000000000000000 c -3.451960656731476 0.000000000000000 12.360561012978055 Atomic positions (fractional): *1 In 0.97306733406060 0.25000000000000 0.61329567594019 114.818 > 1 2 In 0.02693266593940 0.75000000000000 0.38670432405981 114.818 > 2 *3 In 0.98781750134348 0.75000000000000 0.87642859122358 114.818 > 3 4 In 0.01218249865652 0.25000000000000 0.12357140877642 114.818 > 4 *5 Sn 0.39169402658346 0.25000000000000 0.38608920553905 118.710 > 5 *6 Sn 0.68349775607157 0.75000000000000 0.99643252887925 118.710 > 6 7 Sn 0.60830597341654 0.75000000000000 0.61391079446095 118.710 > 7 *8 Sn 0.66957147714463 0.75000000000000 0.27908892684641 118.710 > 8 9 Sn 0.33042852285537 0.25000000000000 0.72091107315359 118.710 > 9 10 Sn 0.31650224392843 0.25000000000000 0.00356747112075 118.710 > 10 *11 S 0.37661070794564 0.75000000000000 0.52697207863277 32.065 > 11 *12 S 0.14234589227078 0.75000000000000 0.06557058346058 32.065 > 12 *13 S 0.41164114434993 0.75000000000000 0.25872525030202 32.065 > 13 *14 S 0.88420430862538 0.75000000000000 0.18009781002874 32.065 > 14 15 S 0.58835885565007 0.25000000000000 0.74127474969798 32.065 > 15 *16 S 0.84549135501578 0.75000000000000 0.67401267040512 32.065 > 16 *17 S 0.87835853441611 0.25000000000000 0.40991038561583 32.065 > 17 18 S 0.11579569137462 0.25000000000000 0.81990218997126 32.065 > 18 19 S 0.15450864498421 0.25000000000000 0.32598732959489 32.065 > 19 20 S 0.12164146558389 0.75000000000000 0.59008961438417 32.065 > 20 21 S 0.85765410772922 0.25000000000000 0.93442941653942 32.065 > 21 *22 S 0.59886336441977 0.25000000000000 0.11850278459551 32.065 > 22 23 S 0.40113663558023 0.75000000000000 0.88149721540449 32.065 > 23 24 S 0.62338929205436 0.25000000000000 0.47302792136723 32.065 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 22.610635420080357 0.000000000000000 0.000000000000000 b 0.000000000000000 11.327089710000003 0.000000000000000 c -3.451960656731476 0.000000000000000 12.360561012978055 Atomic positions (fractional): *1 In 0.48653366703030 0.08333333333333 0.61329567594019 114.818 > 1 2 In 0.98653366703030 0.08333333333333 0.61329567594019 114.818 > 1 3 In 0.48653366703030 0.41666666666667 0.61329567594019 114.818 > 1 4 In 0.98653366703030 0.41666666666667 0.61329567594019 114.818 > 1 5 In 0.48653366703030 0.75000000000000 0.61329567594019 114.818 > 1 6 In 0.98653366703030 0.75000000000000 0.61329567594019 114.818 > 1 7 In 0.01346633296970 0.25000000000000 0.38670432405981 114.818 > 2 8 In 0.51346633296970 0.25000000000000 0.38670432405981 114.818 > 2 9 In 0.01346633296970 0.58333333333333 0.38670432405981 114.818 > 2 10 In 0.51346633296970 0.58333333333333 0.38670432405981 114.818 > 2 11 In 0.01346633296970 0.91666666666667 0.38670432405981 114.818 > 2 12 In 0.51346633296970 0.91666666666667 0.38670432405981 114.818 > 2 *13 In 0.49390875067174 0.25000000000000 0.87642859122358 114.818 > 3 14 In 0.99390875067174 0.25000000000000 0.87642859122358 114.818 > 3 15 In 0.49390875067174 0.58333333333333 0.87642859122358 114.818 > 3 16 In 0.99390875067174 0.58333333333333 0.87642859122358 114.818 > 3 17 In 0.49390875067174 0.91666666666667 0.87642859122358 114.818 > 3 18 In 0.99390875067174 0.91666666666667 0.87642859122358 114.818 > 3 19 In 0.00609124932826 0.08333333333333 0.12357140877642 114.818 > 4 20 In 0.50609124932826 0.08333333333333 0.12357140877642 114.818 > 4 21 In 0.00609124932826 0.41666666666667 0.12357140877642 114.818 > 4 22 In 0.50609124932826 0.41666666666667 0.12357140877642 114.818 > 4 23 In 0.00609124932826 0.75000000000000 0.12357140877642 114.818 > 4 24 In 0.50609124932826 0.75000000000000 0.12357140877642 114.818 > 4 *25 Sn 0.19584701329173 0.08333333333333 0.38608920553905 118.710 > 5 26 Sn 0.69584701329173 0.08333333333333 0.38608920553905 118.710 > 5 27 Sn 0.19584701329173 0.41666666666667 0.38608920553905 118.710 > 5 28 Sn 0.69584701329173 0.41666666666667 0.38608920553905 118.710 > 5 29 Sn 0.19584701329173 0.75000000000000 0.38608920553905 118.710 > 5 30 Sn 0.69584701329173 0.75000000000000 0.38608920553905 118.710 > 5 *31 Sn 0.34174887803578 0.25000000000000 0.99643252887925 118.710 > 6 32 Sn 0.84174887803578 0.25000000000000 0.99643252887925 118.710 > 6 33 Sn 0.34174887803578 0.58333333333333 0.99643252887925 118.710 > 6 34 Sn 0.84174887803578 0.58333333333333 0.99643252887925 118.710 > 6 35 Sn 0.34174887803578 0.91666666666667 0.99643252887925 118.710 > 6 36 Sn 0.84174887803578 0.91666666666667 0.99643252887925 118.710 > 6 37 Sn 0.30415298670827 0.25000000000000 0.61391079446095 118.710 > 7 38 Sn 0.80415298670827 0.25000000000000 0.61391079446095 118.710 > 7 39 Sn 0.30415298670827 0.58333333333333 0.61391079446095 118.710 > 7 40 Sn 0.80415298670827 0.58333333333333 0.61391079446095 118.710 > 7 41 Sn 0.30415298670827 0.91666666666667 0.61391079446095 118.710 > 7 42 Sn 0.80415298670827 0.91666666666667 0.61391079446095 118.710 > 7 *43 Sn 0.33478573857231 0.25000000000000 0.27908892684641 118.710 > 8 44 Sn 0.83478573857231 0.25000000000000 0.27908892684641 118.710 > 8 45 Sn 0.33478573857231 0.58333333333333 0.27908892684641 118.710 > 8 46 Sn 0.83478573857231 0.58333333333333 0.27908892684641 118.710 > 8 47 Sn 0.33478573857231 0.91666666666667 0.27908892684641 118.710 > 8 48 Sn 0.83478573857231 0.91666666666667 0.27908892684641 118.710 > 8 49 Sn 0.16521426142769 0.08333333333333 0.72091107315359 118.710 > 9 50 Sn 0.66521426142769 0.08333333333333 0.72091107315359 118.710 > 9 51 Sn 0.16521426142769 0.41666666666667 0.72091107315359 118.710 > 9 52 Sn 0.66521426142769 0.41666666666667 0.72091107315359 118.710 > 9 53 Sn 0.16521426142769 0.75000000000000 0.72091107315359 118.710 > 9 54 Sn 0.66521426142769 0.75000000000000 0.72091107315359 118.710 > 9 55 Sn 0.15825112196422 0.08333333333333 0.00356747112075 118.710 > 10 56 Sn 0.65825112196422 0.08333333333333 0.00356747112075 118.710 > 10 57 Sn 0.15825112196422 0.41666666666667 0.00356747112075 118.710 > 10 58 Sn 0.65825112196422 0.41666666666667 0.00356747112075 118.710 > 10 59 Sn 0.15825112196422 0.75000000000000 0.00356747112075 118.710 > 10 60 Sn 0.65825112196422 0.75000000000000 0.00356747112075 118.710 > 10 *61 S 0.18830535397282 0.25000000000000 0.52697207863277 32.065 > 11 62 S 0.68830535397282 0.25000000000000 0.52697207863277 32.065 > 11 63 S 0.18830535397282 0.58333333333333 0.52697207863277 32.065 > 11 64 S 0.68830535397282 0.58333333333333 0.52697207863277 32.065 > 11 65 S 0.18830535397282 0.91666666666667 0.52697207863277 32.065 > 11 66 S 0.68830535397282 0.91666666666667 0.52697207863277 32.065 > 11 *67 S 0.07117294613539 0.25000000000000 0.06557058346058 32.065 > 12 68 S 0.57117294613539 0.25000000000000 0.06557058346058 32.065 > 12 69 S 0.07117294613539 0.58333333333333 0.06557058346058 32.065 > 12 70 S 0.57117294613539 0.58333333333333 0.06557058346058 32.065 > 12 71 S 0.07117294613539 0.91666666666667 0.06557058346058 32.065 > 12 72 S 0.57117294613539 0.91666666666667 0.06557058346058 32.065 > 12 *73 S 0.20582057217496 0.25000000000000 0.25872525030202 32.065 > 13 74 S 0.70582057217496 0.25000000000000 0.25872525030202 32.065 > 13 75 S 0.20582057217496 0.58333333333333 0.25872525030202 32.065 > 13 76 S 0.70582057217496 0.58333333333333 0.25872525030202 32.065 > 13 77 S 0.20582057217496 0.91666666666667 0.25872525030202 32.065 > 13 78 S 0.70582057217496 0.91666666666667 0.25872525030202 32.065 > 13 *79 S 0.44210215431269 0.25000000000000 0.18009781002874 32.065 > 14 80 S 0.94210215431269 0.25000000000000 0.18009781002874 32.065 > 14 81 S 0.44210215431269 0.58333333333333 0.18009781002874 32.065 > 14 82 S 0.94210215431269 0.58333333333333 0.18009781002874 32.065 > 14 83 S 0.44210215431269 0.91666666666667 0.18009781002874 32.065 > 14 84 S 0.94210215431269 0.91666666666667 0.18009781002874 32.065 > 14 85 S 0.29417942782504 0.08333333333333 0.74127474969798 32.065 > 15 86 S 0.79417942782504 0.08333333333333 0.74127474969798 32.065 > 15 87 S 0.29417942782504 0.41666666666667 0.74127474969798 32.065 > 15 88 S 0.79417942782504 0.41666666666667 0.74127474969798 32.065 > 15 89 S 0.29417942782504 0.75000000000000 0.74127474969798 32.065 > 15 90 S 0.79417942782504 0.75000000000000 0.74127474969798 32.065 > 15 *91 S 0.42274567750789 0.25000000000000 0.67401267040512 32.065 > 16 92 S 0.92274567750789 0.25000000000000 0.67401267040512 32.065 > 16 93 S 0.42274567750789 0.58333333333333 0.67401267040512 32.065 > 16 94 S 0.92274567750789 0.58333333333333 0.67401267040512 32.065 > 16 95 S 0.42274567750789 0.91666666666667 0.67401267040512 32.065 > 16 96 S 0.92274567750789 0.91666666666667 0.67401267040512 32.065 > 16 *97 S 0.43917926720806 0.08333333333333 0.40991038561583 32.065 > 17 98 S 0.93917926720806 0.08333333333333 0.40991038561583 32.065 > 17 99 S 0.43917926720806 0.41666666666667 0.40991038561583 32.065 > 17 100 S 0.93917926720806 0.41666666666667 0.40991038561583 32.065 > 17 101 S 0.43917926720806 0.75000000000000 0.40991038561583 32.065 > 17 102 S 0.93917926720806 0.75000000000000 0.40991038561583 32.065 > 17 103 S 0.05789784568731 0.08333333333333 0.81990218997126 32.065 > 18 104 S 0.55789784568731 0.08333333333333 0.81990218997126 32.065 > 18 105 S 0.05789784568731 0.41666666666667 0.81990218997126 32.065 > 18 106 S 0.55789784568731 0.41666666666667 0.81990218997126 32.065 > 18 107 S 0.05789784568731 0.75000000000000 0.81990218997126 32.065 > 18 108 S 0.55789784568731 0.75000000000000 0.81990218997126 32.065 > 18 109 S 0.07725432249211 0.08333333333333 0.32598732959489 32.065 > 19 110 S 0.57725432249211 0.08333333333333 0.32598732959489 32.065 > 19 111 S 0.07725432249211 0.41666666666667 0.32598732959489 32.065 > 19 112 S 0.57725432249211 0.41666666666667 0.32598732959489 32.065 > 19 113 S 0.07725432249211 0.75000000000000 0.32598732959489 32.065 > 19 114 S 0.57725432249211 0.75000000000000 0.32598732959489 32.065 > 19 115 S 0.06082073279194 0.25000000000000 0.59008961438417 32.065 > 20 116 S 0.56082073279194 0.25000000000000 0.59008961438417 32.065 > 20 117 S 0.06082073279194 0.58333333333333 0.59008961438417 32.065 > 20 118 S 0.56082073279194 0.58333333333333 0.59008961438417 32.065 > 20 119 S 0.06082073279194 0.91666666666667 0.59008961438417 32.065 > 20 120 S 0.56082073279194 0.91666666666667 0.59008961438417 32.065 > 20 121 S 0.42882705386461 0.08333333333333 0.93442941653942 32.065 > 21 122 S 0.92882705386461 0.08333333333333 0.93442941653942 32.065 > 21 123 S 0.42882705386461 0.41666666666667 0.93442941653942 32.065 > 21 124 S 0.92882705386461 0.41666666666667 0.93442941653942 32.065 > 21 125 S 0.42882705386461 0.75000000000000 0.93442941653942 32.065 > 21 126 S 0.92882705386461 0.75000000000000 0.93442941653942 32.065 > 21 *127 S 0.29943168220989 0.08333333333333 0.11850278459551 32.065 > 22 128 S 0.79943168220989 0.08333333333333 0.11850278459551 32.065 > 22 129 S 0.29943168220989 0.41666666666667 0.11850278459551 32.065 > 22 130 S 0.79943168220989 0.41666666666667 0.11850278459551 32.065 > 22 131 S 0.29943168220989 0.75000000000000 0.11850278459551 32.065 > 22 132 S 0.79943168220989 0.75000000000000 0.11850278459551 32.065 > 22 133 S 0.20056831779011 0.25000000000000 0.88149721540449 32.065 > 23 134 S 0.70056831779011 0.25000000000000 0.88149721540449 32.065 > 23 135 S 0.20056831779011 0.58333333333333 0.88149721540449 32.065 > 23 136 S 0.70056831779011 0.58333333333333 0.88149721540449 32.065 > 23 137 S 0.20056831779011 0.91666666666667 0.88149721540449 32.065 > 23 138 S 0.70056831779011 0.91666666666667 0.88149721540449 32.065 > 23 139 S 0.31169464602718 0.08333333333333 0.47302792136723 32.065 > 24 140 S 0.81169464602718 0.08333333333333 0.47302792136723 32.065 > 24 141 S 0.31169464602718 0.41666666666667 0.47302792136723 32.065 > 24 142 S 0.81169464602718 0.41666666666667 0.47302792136723 32.065 > 24 143 S 0.31169464602718 0.75000000000000 0.47302792136723 32.065 > 24 144 S 0.81169464602718 0.75000000000000 0.47302792136723 32.065 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.4253152 0.0000000 -0.9236317 0.0000000 12.4167502 0.0000000 -0.9236361 0.0000000 13.1355063 -------------------------- Born effective charges -------------------------- 1 In 3.4205336 0.0000000 -0.0047733 0.0000000 3.9948744 0.0000000 0.1110571 0.0000000 4.0467312 2 In 3.4205336 0.0000000 -0.0047733 0.0000000 3.9948744 0.0000000 0.1110571 0.0000000 4.0467312 3 In 3.8935609 0.0000000 -0.2057799 0.0000000 4.2897907 0.0000000 -0.8728919 0.0000000 3.7126571 4 In 3.8935609 0.0000000 -0.2057799 0.0000000 4.2897907 0.0000000 -0.8728919 0.0000000 3.7126571 5 Sn 4.6772124 0.0000000 -0.2737631 0.0000000 5.3393492 0.0000000 0.5514414 0.0000000 4.3325285 6 Sn 4.9228815 0.0000000 -0.0254497 0.0000000 4.0617928 0.0000000 -0.1460540 0.0000000 3.4055210 7 Sn 4.6772124 0.0000000 -0.2737631 0.0000000 5.3393492 0.0000000 0.5514414 0.0000000 4.3325285 8 Sn 4.4516320 0.0000000 -0.1655465 0.0000000 4.0359805 0.0000000 -0.0879295 0.0000000 4.0108598 9 Sn 4.4516320 0.0000000 -0.1655465 0.0000000 4.0359805 0.0000000 -0.0879295 0.0000000 4.0108598 10 Sn 4.9228815 0.0000000 -0.0254497 0.0000000 4.0617928 0.0000000 -0.1460540 0.0000000 3.4055210 11 S -1.8080461 0.0000000 0.1724854 0.0000000 -2.9909325 0.0000000 -0.2494685 0.0000000 -3.1359248 12 S -3.7736653 0.0000000 0.7201825 0.0000000 -3.9772115 0.0000000 1.5518047 0.0000000 -2.0511853 13 S -3.3104711 0.0000000 0.5447101 0.0000000 -2.6863469 0.0000000 0.6859937 0.0000000 -1.9504414 14 S -3.8024663 0.0000000 -0.6404560 0.0000000 -2.1370427 0.0000000 -0.1178020 0.0000000 -3.3748879 15 S -3.3104711 0.0000000 0.5447101 0.0000000 -2.6863469 0.0000000 0.6859937 0.0000000 -1.9504414 16 S -3.4088201 0.0000000 -0.2786305 0.0000000 -2.3060081 0.0000000 -0.8625107 0.0000000 -2.3872312 17 S -2.5882311 0.0000000 -0.5547220 0.0000000 -3.0933475 0.0000000 -0.5525237 0.0000000 -2.9326431 18 S -3.8024663 0.0000000 -0.6404560 0.0000000 -2.1370427 0.0000000 -0.1178020 0.0000000 -3.3748879 19 S -3.4088201 0.0000000 -0.2786305 0.0000000 -2.3060081 0.0000000 -0.8625107 0.0000000 -2.3872312 20 S -2.5882311 0.0000000 -0.5547220 0.0000000 -3.0933475 0.0000000 -0.5525237 0.0000000 -2.9326431 21 S -3.7736653 0.0000000 0.7201825 0.0000000 -3.9772115 0.0000000 1.5518047 0.0000000 -2.0511853 22 S -2.6741203 0.0000000 0.7117430 0.0000000 -4.5308984 0.0000000 -0.0111167 0.0000000 -3.6759841 23 S -2.6741203 0.0000000 0.7117430 0.0000000 -4.5308984 0.0000000 -0.0111167 0.0000000 -3.6759841 24 S -1.8080461 0.0000000 0.1724854 0.0000000 -2.9909325 0.0000000 -0.2494685 0.0000000 -3.1359248 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4176 Number of blocks in projector: 4176 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. Tree of FC basis block matrices: - (4176, 4117), data: False |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 36), data: (1152, 59) @ (59, 36) |-- (152, 139), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 1.322 Solver_block: 200 / 720 - Time: 1.223 Solver_block: 300 / 720 - Time: 1.217 Solver_block: 400 / 720 - Time: 1.216 Solver_block: 500 / 720 - Time: 1.216 Solver_block: 600 / 720 - Time: 1.218 Solver_block: 700 / 720 - Time: 1.221 Solver_block: 720 / 720 - Time: 0.398 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.263 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4176 Number of blocks in projector: 4176 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: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1152 / 1152 (1) 139 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 624 Use submatrix version of eigh solver. (1) Block: 500 / 624 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 624 / 624 (1) 112 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 250 eigenvectors found. (2) Block: 500 / 576 (2) 250 eigenvectors found. (2) Block: 576 / 576 (2) 76 eigenvectors found. (1) 576 eigenvectors found. Tree of FC basis block matrices: - (4176, 4117), data: False |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (576, 576), data: False |-- (576, 576), data: False |-- (76, 76), data: True |-- (250, 250), data: True |-- (250, 250), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (624, 612), data: False |-- (624, 12), data: (624, 24) @ (24, 12) |-- (124, 112), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (1152, 1129), data: False |-- (1152, 36), data: (1152, 59) @ (59, 36) |-- (152, 139), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 477), data: False |-- (500, 19), data: (500, 42) @ (42, 19) |-- (250, 231), data: True |-- (250, 227), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 20:18:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:18:23]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.305317710040178 0.000000000000000 0.000000000000000 b 0.000000000000000 3.775696570000001 0.000000000000000 c -3.451960656731476 0.000000000000000 12.360561012978055 Atomic positions (fractional): 1 In 0.97306733406060 0.25000000000000 0.61329567594019 114.818 2 In 0.02693266593940 0.75000000000000 0.38670432405981 114.818 3 In 0.98781750134348 0.75000000000000 0.87642859122358 114.818 4 In 0.01218249865652 0.25000000000000 0.12357140877642 114.818 5 Sn 0.39169402658346 0.25000000000000 0.38608920553905 118.710 6 Sn 0.68349775607157 0.75000000000000 0.99643252887925 118.710 7 Sn 0.60830597341654 0.75000000000000 0.61391079446095 118.710 8 Sn 0.66957147714463 0.75000000000000 0.27908892684641 118.710 9 Sn 0.33042852285537 0.25000000000000 0.72091107315359 118.710 10 Sn 0.31650224392843 0.25000000000000 0.00356747112075 118.710 11 S 0.37661070794564 0.75000000000000 0.52697207863277 32.065 12 S 0.14234589227078 0.75000000000000 0.06557058346058 32.065 13 S 0.41164114434993 0.75000000000000 0.25872525030202 32.065 14 S 0.88420430862538 0.75000000000000 0.18009781002874 32.065 15 S 0.58835885565007 0.25000000000000 0.74127474969798 32.065 16 S 0.84549135501578 0.75000000000000 0.67401267040512 32.065 17 S 0.87835853441611 0.25000000000000 0.40991038561583 32.065 18 S 0.11579569137462 0.25000000000000 0.81990218997126 32.065 19 S 0.15450864498421 0.25000000000000 0.32598732959489 32.065 20 S 0.12164146558389 0.75000000000000 0.59008961438417 32.065 21 S 0.85765410772922 0.25000000000000 0.93442941653942 32.065 22 S 0.59886336441977 0.25000000000000 0.11850278459551 32.065 23 S 0.40113663558023 0.75000000000000 0.88149721540449 32.065 24 S 0.62338929205436 0.25000000000000 0.47302792136723 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.610635420080357 0.000000000000000 0.000000000000000 b 0.000000000000000 11.327089710000003 0.000000000000000 c -3.451960656731476 0.000000000000000 12.360561012978055 Atomic positions (fractional): 1 In 0.48653366703030 0.08333333333333 0.61329567594019 114.818 > 1 2 In 0.98653366703030 0.08333333333333 0.61329567594019 114.818 > 1 3 In 0.48653366703030 0.41666666666667 0.61329567594019 114.818 > 1 4 In 0.98653366703030 0.41666666666667 0.61329567594019 114.818 > 1 5 In 0.48653366703030 0.75000000000000 0.61329567594019 114.818 > 1 6 In 0.98653366703030 0.75000000000000 0.61329567594019 114.818 > 1 7 In 0.01346633296970 0.25000000000000 0.38670432405981 114.818 > 7 8 In 0.51346633296970 0.25000000000000 0.38670432405981 114.818 > 7 9 In 0.01346633296970 0.58333333333333 0.38670432405981 114.818 > 7 10 In 0.51346633296970 0.58333333333333 0.38670432405981 114.818 > 7 11 In 0.01346633296970 0.91666666666667 0.38670432405981 114.818 > 7 12 In 0.51346633296970 0.91666666666667 0.38670432405981 114.818 > 7 13 In 0.49390875067174 0.25000000000000 0.87642859122358 114.818 > 13 14 In 0.99390875067174 0.25000000000000 0.87642859122358 114.818 > 13 15 In 0.49390875067174 0.58333333333333 0.87642859122358 114.818 > 13 16 In 0.99390875067174 0.58333333333333 0.87642859122358 114.818 > 13 17 In 0.49390875067174 0.91666666666667 0.87642859122358 114.818 > 13 18 In 0.99390875067174 0.91666666666667 0.87642859122358 114.818 > 13 19 In 0.00609124932826 0.08333333333333 0.12357140877642 114.818 > 19 20 In 0.50609124932826 0.08333333333333 0.12357140877642 114.818 > 19 21 In 0.00609124932826 0.41666666666667 0.12357140877642 114.818 > 19 22 In 0.50609124932826 0.41666666666667 0.12357140877642 114.818 > 19 23 In 0.00609124932826 0.75000000000000 0.12357140877642 114.818 > 19 24 In 0.50609124932826 0.75000000000000 0.12357140877642 114.818 > 19 25 Sn 0.19584701329173 0.08333333333333 0.38608920553905 118.710 > 25 26 Sn 0.69584701329173 0.08333333333333 0.38608920553905 118.710 > 25 27 Sn 0.19584701329173 0.41666666666667 0.38608920553905 118.710 > 25 28 Sn 0.69584701329173 0.41666666666667 0.38608920553905 118.710 > 25 29 Sn 0.19584701329173 0.75000000000000 0.38608920553905 118.710 > 25 30 Sn 0.69584701329173 0.75000000000000 0.38608920553905 118.710 > 25 31 Sn 0.34174887803578 0.25000000000000 0.99643252887925 118.710 > 31 32 Sn 0.84174887803578 0.25000000000000 0.99643252887925 118.710 > 31 33 Sn 0.34174887803578 0.58333333333333 0.99643252887925 118.710 > 31 34 Sn 0.84174887803578 0.58333333333333 0.99643252887925 118.710 > 31 35 Sn 0.34174887803578 0.91666666666667 0.99643252887925 118.710 > 31 36 Sn 0.84174887803578 0.91666666666667 0.99643252887925 118.710 > 31 37 Sn 0.30415298670827 0.25000000000000 0.61391079446095 118.710 > 37 38 Sn 0.80415298670827 0.25000000000000 0.61391079446095 118.710 > 37 39 Sn 0.30415298670827 0.58333333333333 0.61391079446095 118.710 > 37 40 Sn 0.80415298670827 0.58333333333333 0.61391079446095 118.710 > 37 41 Sn 0.30415298670827 0.91666666666667 0.61391079446095 118.710 > 37 42 Sn 0.80415298670827 0.91666666666667 0.61391079446095 118.710 > 37 43 Sn 0.33478573857231 0.25000000000000 0.27908892684641 118.710 > 43 44 Sn 0.83478573857231 0.25000000000000 0.27908892684641 118.710 > 43 45 Sn 0.33478573857231 0.58333333333333 0.27908892684641 118.710 > 43 46 Sn 0.83478573857231 0.58333333333333 0.27908892684641 118.710 > 43 47 Sn 0.33478573857231 0.91666666666667 0.27908892684641 118.710 > 43 48 Sn 0.83478573857231 0.91666666666667 0.27908892684641 118.710 > 43 49 Sn 0.16521426142769 0.08333333333333 0.72091107315359 118.710 > 49 50 Sn 0.66521426142769 0.08333333333333 0.72091107315359 118.710 > 49 51 Sn 0.16521426142769 0.41666666666667 0.72091107315359 118.710 > 49 52 Sn 0.66521426142769 0.41666666666667 0.72091107315359 118.710 > 49 53 Sn 0.16521426142769 0.75000000000000 0.72091107315359 118.710 > 49 54 Sn 0.66521426142769 0.75000000000000 0.72091107315359 118.710 > 49 55 Sn 0.15825112196422 0.08333333333333 0.00356747112075 118.710 > 55 56 Sn 0.65825112196422 0.08333333333333 0.00356747112075 118.710 > 55 57 Sn 0.15825112196422 0.41666666666667 0.00356747112075 118.710 > 55 58 Sn 0.65825112196422 0.41666666666667 0.00356747112075 118.710 > 55 59 Sn 0.15825112196422 0.75000000000000 0.00356747112075 118.710 > 55 60 Sn 0.65825112196422 0.75000000000000 0.00356747112075 118.710 > 55 61 S 0.18830535397282 0.25000000000000 0.52697207863277 32.065 > 61 62 S 0.68830535397282 0.25000000000000 0.52697207863277 32.065 > 61 63 S 0.18830535397282 0.58333333333333 0.52697207863277 32.065 > 61 64 S 0.68830535397282 0.58333333333333 0.52697207863277 32.065 > 61 65 S 0.18830535397282 0.91666666666667 0.52697207863277 32.065 > 61 66 S 0.68830535397282 0.91666666666667 0.52697207863277 32.065 > 61 67 S 0.07117294613539 0.25000000000000 0.06557058346058 32.065 > 67 68 S 0.57117294613539 0.25000000000000 0.06557058346058 32.065 > 67 69 S 0.07117294613539 0.58333333333333 0.06557058346058 32.065 > 67 70 S 0.57117294613539 0.58333333333333 0.06557058346058 32.065 > 67 71 S 0.07117294613539 0.91666666666667 0.06557058346058 32.065 > 67 72 S 0.57117294613539 0.91666666666667 0.06557058346058 32.065 > 67 73 S 0.20582057217496 0.25000000000000 0.25872525030202 32.065 > 73 74 S 0.70582057217496 0.25000000000000 0.25872525030202 32.065 > 73 75 S 0.20582057217496 0.58333333333333 0.25872525030202 32.065 > 73 76 S 0.70582057217496 0.58333333333333 0.25872525030202 32.065 > 73 77 S 0.20582057217496 0.91666666666667 0.25872525030202 32.065 > 73 78 S 0.70582057217496 0.91666666666667 0.25872525030202 32.065 > 73 79 S 0.44210215431269 0.25000000000000 0.18009781002874 32.065 > 79 80 S 0.94210215431269 0.25000000000000 0.18009781002874 32.065 > 79 81 S 0.44210215431269 0.58333333333333 0.18009781002874 32.065 > 79 82 S 0.94210215431269 0.58333333333333 0.18009781002874 32.065 > 79 83 S 0.44210215431269 0.91666666666667 0.18009781002874 32.065 > 79 84 S 0.94210215431269 0.91666666666667 0.18009781002874 32.065 > 79 85 S 0.29417942782504 0.08333333333333 0.74127474969798 32.065 > 85 86 S 0.79417942782504 0.08333333333333 0.74127474969798 32.065 > 85 87 S 0.29417942782504 0.41666666666667 0.74127474969798 32.065 > 85 88 S 0.79417942782504 0.41666666666667 0.74127474969798 32.065 > 85 89 S 0.29417942782504 0.75000000000000 0.74127474969798 32.065 > 85 90 S 0.79417942782504 0.75000000000000 0.74127474969798 32.065 > 85 91 S 0.42274567750789 0.25000000000000 0.67401267040512 32.065 > 91 92 S 0.92274567750789 0.25000000000000 0.67401267040512 32.065 > 91 93 S 0.42274567750789 0.58333333333333 0.67401267040512 32.065 > 91 94 S 0.92274567750789 0.58333333333333 0.67401267040512 32.065 > 91 95 S 0.42274567750789 0.91666666666667 0.67401267040512 32.065 > 91 96 S 0.92274567750789 0.91666666666667 0.67401267040512 32.065 > 91 97 S 0.43917926720806 0.08333333333333 0.40991038561583 32.065 > 97 98 S 0.93917926720806 0.08333333333333 0.40991038561583 32.065 > 97 99 S 0.43917926720806 0.41666666666667 0.40991038561583 32.065 > 97 100 S 0.93917926720806 0.41666666666667 0.40991038561583 32.065 > 97 101 S 0.43917926720806 0.75000000000000 0.40991038561583 32.065 > 97 102 S 0.93917926720806 0.75000000000000 0.40991038561583 32.065 > 97 103 S 0.05789784568731 0.08333333333333 0.81990218997126 32.065 > 103 104 S 0.55789784568731 0.08333333333333 0.81990218997126 32.065 > 103 105 S 0.05789784568731 0.41666666666667 0.81990218997126 32.065 > 103 106 S 0.55789784568731 0.41666666666667 0.81990218997126 32.065 > 103 107 S 0.05789784568731 0.75000000000000 0.81990218997126 32.065 > 103 108 S 0.55789784568731 0.75000000000000 0.81990218997126 32.065 > 103 109 S 0.07725432249211 0.08333333333333 0.32598732959489 32.065 > 109 110 S 0.57725432249211 0.08333333333333 0.32598732959489 32.065 > 109 111 S 0.07725432249211 0.41666666666667 0.32598732959489 32.065 > 109 112 S 0.57725432249211 0.41666666666667 0.32598732959489 32.065 > 109 113 S 0.07725432249211 0.75000000000000 0.32598732959489 32.065 > 109 114 S 0.57725432249211 0.75000000000000 0.32598732959489 32.065 > 109 115 S 0.06082073279194 0.25000000000000 0.59008961438417 32.065 > 115 116 S 0.56082073279194 0.25000000000000 0.59008961438417 32.065 > 115 117 S 0.06082073279194 0.58333333333333 0.59008961438417 32.065 > 115 118 S 0.56082073279194 0.58333333333333 0.59008961438417 32.065 > 115 119 S 0.06082073279194 0.91666666666667 0.59008961438417 32.065 > 115 120 S 0.56082073279194 0.91666666666667 0.59008961438417 32.065 > 115 121 S 0.42882705386461 0.08333333333333 0.93442941653942 32.065 > 121 122 S 0.92882705386461 0.08333333333333 0.93442941653942 32.065 > 121 123 S 0.42882705386461 0.41666666666667 0.93442941653942 32.065 > 121 124 S 0.92882705386461 0.41666666666667 0.93442941653942 32.065 > 121 125 S 0.42882705386461 0.75000000000000 0.93442941653942 32.065 > 121 126 S 0.92882705386461 0.75000000000000 0.93442941653942 32.065 > 121 127 S 0.29943168220989 0.08333333333333 0.11850278459551 32.065 > 127 128 S 0.79943168220989 0.08333333333333 0.11850278459551 32.065 > 127 129 S 0.29943168220989 0.41666666666667 0.11850278459551 32.065 > 127 130 S 0.79943168220989 0.41666666666667 0.11850278459551 32.065 > 127 131 S 0.29943168220989 0.75000000000000 0.11850278459551 32.065 > 127 132 S 0.79943168220989 0.75000000000000 0.11850278459551 32.065 > 127 133 S 0.20056831779011 0.25000000000000 0.88149721540449 32.065 > 133 134 S 0.70056831779011 0.25000000000000 0.88149721540449 32.065 > 133 135 S 0.20056831779011 0.58333333333333 0.88149721540449 32.065 > 133 136 S 0.70056831779011 0.58333333333333 0.88149721540449 32.065 > 133 137 S 0.20056831779011 0.91666666666667 0.88149721540449 32.065 > 133 138 S 0.70056831779011 0.91666666666667 0.88149721540449 32.065 > 133 139 S 0.31169464602718 0.08333333333333 0.47302792136723 32.065 > 139 140 S 0.81169464602718 0.08333333333333 0.47302792136723 32.065 > 139 141 S 0.31169464602718 0.41666666666667 0.47302792136723 32.065 > 139 142 S 0.81169464602718 0.41666666666667 0.47302792136723 32.065 > 139 143 S 0.31169464602718 0.75000000000000 0.47302792136723 32.065 > 139 144 S 0.81169464602718 0.75000000000000 0.47302792136723 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.4253152 0.0000000 -0.9236317 0.0000000 12.4167502 0.0000000 -0.9236361 0.0000000 13.1355063 -------------------------- Born effective charges -------------------------- 1 In 3.4205336 0.0000000 -0.0047733 0.0000000 3.9948744 0.0000000 0.1110571 0.0000000 4.0467312 2 In 3.4205336 0.0000000 -0.0047733 0.0000000 3.9948744 0.0000000 0.1110571 0.0000000 4.0467312 3 In 3.8935609 0.0000000 -0.2057799 0.0000000 4.2897907 0.0000000 -0.8728919 0.0000000 3.7126571 4 In 3.8935609 0.0000000 -0.2057799 0.0000000 4.2897907 0.0000000 -0.8728919 0.0000000 3.7126571 5 Sn 4.6772124 0.0000000 -0.2737631 0.0000000 5.3393492 0.0000000 0.5514414 0.0000000 4.3325285 6 Sn 4.9228815 0.0000000 -0.0254497 0.0000000 4.0617928 0.0000000 -0.1460540 0.0000000 3.4055210 7 Sn 4.6772124 0.0000000 -0.2737631 0.0000000 5.3393492 0.0000000 0.5514414 0.0000000 4.3325285 8 Sn 4.4516320 0.0000000 -0.1655465 0.0000000 4.0359805 0.0000000 -0.0879295 0.0000000 4.0108598 9 Sn 4.4516320 0.0000000 -0.1655465 0.0000000 4.0359805 0.0000000 -0.0879295 0.0000000 4.0108598 10 Sn 4.9228815 0.0000000 -0.0254497 0.0000000 4.0617928 0.0000000 -0.1460540 0.0000000 3.4055210 11 S -1.8080461 0.0000000 0.1724854 0.0000000 -2.9909325 0.0000000 -0.2494685 0.0000000 -3.1359248 12 S -3.7736653 0.0000000 0.7201825 0.0000000 -3.9772115 0.0000000 1.5518047 0.0000000 -2.0511853 13 S -3.3104711 0.0000000 0.5447101 0.0000000 -2.6863469 0.0000000 0.6859937 0.0000000 -1.9504414 14 S -3.8024663 0.0000000 -0.6404560 0.0000000 -2.1370427 0.0000000 -0.1178020 0.0000000 -3.3748879 15 S -3.3104711 0.0000000 0.5447101 0.0000000 -2.6863469 0.0000000 0.6859937 0.0000000 -1.9504414 16 S -3.4088201 0.0000000 -0.2786305 0.0000000 -2.3060081 0.0000000 -0.8625107 0.0000000 -2.3872312 17 S -2.5882311 0.0000000 -0.5547220 0.0000000 -3.0933475 0.0000000 -0.5525237 0.0000000 -2.9326431 18 S -3.8024663 0.0000000 -0.6404560 0.0000000 -2.1370427 0.0000000 -0.1178020 0.0000000 -3.3748879 19 S -3.4088201 0.0000000 -0.2786305 0.0000000 -2.3060081 0.0000000 -0.8625107 0.0000000 -2.3872312 20 S -2.5882311 0.0000000 -0.5547220 0.0000000 -3.0933475 0.0000000 -0.5525237 0.0000000 -2.9326431 21 S -3.7736653 0.0000000 0.7201825 0.0000000 -3.9772115 0.0000000 1.5518047 0.0000000 -2.0511853 22 S -2.6741203 0.0000000 0.7117430 0.0000000 -4.5308984 0.0000000 -0.0111167 0.0000000 -3.6759841 23 S -2.6741203 0.0000000 0.7117430 0.0000000 -4.5308984 0.0000000 -0.0111167 0.0000000 -3.6759841 24 S -1.8080461 0.0000000 0.1724854 0.0000000 -2.9909325 0.0000000 -0.2494685 0.0000000 -3.1359248 ---------------------------------------------------------------------------- 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 31, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 43, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 67, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 73, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 79, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 91, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Computing fc3[ 127, 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] [-0.0027 0.0000 0.0096] [ 0.0027 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:19:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:19:21]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.305317710040178 0.000000000000000 0.000000000000000 b 0.000000000000000 3.775696570000001 0.000000000000000 c -3.451960656731476 0.000000000000000 12.360561012978055 Atomic positions (fractional): 1 In 0.97306733406060 0.25000000000000 0.61329567594019 114.818 2 In 0.02693266593940 0.75000000000000 0.38670432405981 114.818 3 In 0.98781750134348 0.75000000000000 0.87642859122358 114.818 4 In 0.01218249865652 0.25000000000000 0.12357140877642 114.818 5 Sn 0.39169402658346 0.25000000000000 0.38608920553905 118.710 6 Sn 0.68349775607157 0.75000000000000 0.99643252887925 118.710 7 Sn 0.60830597341654 0.75000000000000 0.61391079446095 118.710 8 Sn 0.66957147714463 0.75000000000000 0.27908892684641 118.710 9 Sn 0.33042852285537 0.25000000000000 0.72091107315359 118.710 10 Sn 0.31650224392843 0.25000000000000 0.00356747112075 118.710 11 S 0.37661070794564 0.75000000000000 0.52697207863277 32.065 12 S 0.14234589227078 0.75000000000000 0.06557058346058 32.065 13 S 0.41164114434993 0.75000000000000 0.25872525030202 32.065 14 S 0.88420430862538 0.75000000000000 0.18009781002874 32.065 15 S 0.58835885565007 0.25000000000000 0.74127474969798 32.065 16 S 0.84549135501578 0.75000000000000 0.67401267040512 32.065 17 S 0.87835853441611 0.25000000000000 0.40991038561583 32.065 18 S 0.11579569137462 0.25000000000000 0.81990218997126 32.065 19 S 0.15450864498421 0.25000000000000 0.32598732959489 32.065 20 S 0.12164146558389 0.75000000000000 0.59008961438417 32.065 21 S 0.85765410772922 0.25000000000000 0.93442941653942 32.065 22 S 0.59886336441977 0.25000000000000 0.11850278459551 32.065 23 S 0.40113663558023 0.75000000000000 0.88149721540449 32.065 24 S 0.62338929205436 0.25000000000000 0.47302792136723 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 22.610635420080357 0.000000000000000 0.000000000000000 b 0.000000000000000 11.327089710000003 0.000000000000000 c -3.451960656731476 0.000000000000000 12.360561012978055 Atomic positions (fractional): 1 In 0.48653366703030 0.08333333333333 0.61329567594019 114.818 > 1 2 In 0.98653366703030 0.08333333333333 0.61329567594019 114.818 > 1 3 In 0.48653366703030 0.41666666666667 0.61329567594019 114.818 > 1 4 In 0.98653366703030 0.41666666666667 0.61329567594019 114.818 > 1 5 In 0.48653366703030 0.75000000000000 0.61329567594019 114.818 > 1 6 In 0.98653366703030 0.75000000000000 0.61329567594019 114.818 > 1 7 In 0.01346633296970 0.25000000000000 0.38670432405981 114.818 > 7 8 In 0.51346633296970 0.25000000000000 0.38670432405981 114.818 > 7 9 In 0.01346633296970 0.58333333333333 0.38670432405981 114.818 > 7 10 In 0.51346633296970 0.58333333333333 0.38670432405981 114.818 > 7 11 In 0.01346633296970 0.91666666666667 0.38670432405981 114.818 > 7 12 In 0.51346633296970 0.91666666666667 0.38670432405981 114.818 > 7 13 In 0.49390875067174 0.25000000000000 0.87642859122358 114.818 > 13 14 In 0.99390875067174 0.25000000000000 0.87642859122358 114.818 > 13 15 In 0.49390875067174 0.58333333333333 0.87642859122358 114.818 > 13 16 In 0.99390875067174 0.58333333333333 0.87642859122358 114.818 > 13 17 In 0.49390875067174 0.91666666666667 0.87642859122358 114.818 > 13 18 In 0.99390875067174 0.91666666666667 0.87642859122358 114.818 > 13 19 In 0.00609124932826 0.08333333333333 0.12357140877642 114.818 > 19 20 In 0.50609124932826 0.08333333333333 0.12357140877642 114.818 > 19 21 In 0.00609124932826 0.41666666666667 0.12357140877642 114.818 > 19 22 In 0.50609124932826 0.41666666666667 0.12357140877642 114.818 > 19 23 In 0.00609124932826 0.75000000000000 0.12357140877642 114.818 > 19 24 In 0.50609124932826 0.75000000000000 0.12357140877642 114.818 > 19 25 Sn 0.19584701329173 0.08333333333333 0.38608920553905 118.710 > 25 26 Sn 0.69584701329173 0.08333333333333 0.38608920553905 118.710 > 25 27 Sn 0.19584701329173 0.41666666666667 0.38608920553905 118.710 > 25 28 Sn 0.69584701329173 0.41666666666667 0.38608920553905 118.710 > 25 29 Sn 0.19584701329173 0.75000000000000 0.38608920553905 118.710 > 25 30 Sn 0.69584701329173 0.75000000000000 0.38608920553905 118.710 > 25 31 Sn 0.34174887803578 0.25000000000000 0.99643252887925 118.710 > 31 32 Sn 0.84174887803578 0.25000000000000 0.99643252887925 118.710 > 31 33 Sn 0.34174887803578 0.58333333333333 0.99643252887925 118.710 > 31 34 Sn 0.84174887803578 0.58333333333333 0.99643252887925 118.710 > 31 35 Sn 0.34174887803578 0.91666666666667 0.99643252887925 118.710 > 31 36 Sn 0.84174887803578 0.91666666666667 0.99643252887925 118.710 > 31 37 Sn 0.30415298670827 0.25000000000000 0.61391079446095 118.710 > 37 38 Sn 0.80415298670827 0.25000000000000 0.61391079446095 118.710 > 37 39 Sn 0.30415298670827 0.58333333333333 0.61391079446095 118.710 > 37 40 Sn 0.80415298670827 0.58333333333333 0.61391079446095 118.710 > 37 41 Sn 0.30415298670827 0.91666666666667 0.61391079446095 118.710 > 37 42 Sn 0.80415298670827 0.91666666666667 0.61391079446095 118.710 > 37 43 Sn 0.33478573857231 0.25000000000000 0.27908892684641 118.710 > 43 44 Sn 0.83478573857231 0.25000000000000 0.27908892684641 118.710 > 43 45 Sn 0.33478573857231 0.58333333333333 0.27908892684641 118.710 > 43 46 Sn 0.83478573857231 0.58333333333333 0.27908892684641 118.710 > 43 47 Sn 0.33478573857231 0.91666666666667 0.27908892684641 118.710 > 43 48 Sn 0.83478573857231 0.91666666666667 0.27908892684641 118.710 > 43 49 Sn 0.16521426142769 0.08333333333333 0.72091107315359 118.710 > 49 50 Sn 0.66521426142769 0.08333333333333 0.72091107315359 118.710 > 49 51 Sn 0.16521426142769 0.41666666666667 0.72091107315359 118.710 > 49 52 Sn 0.66521426142769 0.41666666666667 0.72091107315359 118.710 > 49 53 Sn 0.16521426142769 0.75000000000000 0.72091107315359 118.710 > 49 54 Sn 0.66521426142769 0.75000000000000 0.72091107315359 118.710 > 49 55 Sn 0.15825112196422 0.08333333333333 0.00356747112075 118.710 > 55 56 Sn 0.65825112196422 0.08333333333333 0.00356747112075 118.710 > 55 57 Sn 0.15825112196422 0.41666666666667 0.00356747112075 118.710 > 55 58 Sn 0.65825112196422 0.41666666666667 0.00356747112075 118.710 > 55 59 Sn 0.15825112196422 0.75000000000000 0.00356747112075 118.710 > 55 60 Sn 0.65825112196422 0.75000000000000 0.00356747112075 118.710 > 55 61 S 0.18830535397282 0.25000000000000 0.52697207863277 32.065 > 61 62 S 0.68830535397282 0.25000000000000 0.52697207863277 32.065 > 61 63 S 0.18830535397282 0.58333333333333 0.52697207863277 32.065 > 61 64 S 0.68830535397282 0.58333333333333 0.52697207863277 32.065 > 61 65 S 0.18830535397282 0.91666666666667 0.52697207863277 32.065 > 61 66 S 0.68830535397282 0.91666666666667 0.52697207863277 32.065 > 61 67 S 0.07117294613539 0.25000000000000 0.06557058346058 32.065 > 67 68 S 0.57117294613539 0.25000000000000 0.06557058346058 32.065 > 67 69 S 0.07117294613539 0.58333333333333 0.06557058346058 32.065 > 67 70 S 0.57117294613539 0.58333333333333 0.06557058346058 32.065 > 67 71 S 0.07117294613539 0.91666666666667 0.06557058346058 32.065 > 67 72 S 0.57117294613539 0.91666666666667 0.06557058346058 32.065 > 67 73 S 0.20582057217496 0.25000000000000 0.25872525030202 32.065 > 73 74 S 0.70582057217496 0.25000000000000 0.25872525030202 32.065 > 73 75 S 0.20582057217496 0.58333333333333 0.25872525030202 32.065 > 73 76 S 0.70582057217496 0.58333333333333 0.25872525030202 32.065 > 73 77 S 0.20582057217496 0.91666666666667 0.25872525030202 32.065 > 73 78 S 0.70582057217496 0.91666666666667 0.25872525030202 32.065 > 73 79 S 0.44210215431269 0.25000000000000 0.18009781002874 32.065 > 79 80 S 0.94210215431269 0.25000000000000 0.18009781002874 32.065 > 79 81 S 0.44210215431269 0.58333333333333 0.18009781002874 32.065 > 79 82 S 0.94210215431269 0.58333333333333 0.18009781002874 32.065 > 79 83 S 0.44210215431269 0.91666666666667 0.18009781002874 32.065 > 79 84 S 0.94210215431269 0.91666666666667 0.18009781002874 32.065 > 79 85 S 0.29417942782504 0.08333333333333 0.74127474969798 32.065 > 85 86 S 0.79417942782504 0.08333333333333 0.74127474969798 32.065 > 85 87 S 0.29417942782504 0.41666666666667 0.74127474969798 32.065 > 85 88 S 0.79417942782504 0.41666666666667 0.74127474969798 32.065 > 85 89 S 0.29417942782504 0.75000000000000 0.74127474969798 32.065 > 85 90 S 0.79417942782504 0.75000000000000 0.74127474969798 32.065 > 85 91 S 0.42274567750789 0.25000000000000 0.67401267040512 32.065 > 91 92 S 0.92274567750789 0.25000000000000 0.67401267040512 32.065 > 91 93 S 0.42274567750789 0.58333333333333 0.67401267040512 32.065 > 91 94 S 0.92274567750789 0.58333333333333 0.67401267040512 32.065 > 91 95 S 0.42274567750789 0.91666666666667 0.67401267040512 32.065 > 91 96 S 0.92274567750789 0.91666666666667 0.67401267040512 32.065 > 91 97 S 0.43917926720806 0.08333333333333 0.40991038561583 32.065 > 97 98 S 0.93917926720806 0.08333333333333 0.40991038561583 32.065 > 97 99 S 0.43917926720806 0.41666666666667 0.40991038561583 32.065 > 97 100 S 0.93917926720806 0.41666666666667 0.40991038561583 32.065 > 97 101 S 0.43917926720806 0.75000000000000 0.40991038561583 32.065 > 97 102 S 0.93917926720806 0.75000000000000 0.40991038561583 32.065 > 97 103 S 0.05789784568731 0.08333333333333 0.81990218997126 32.065 > 103 104 S 0.55789784568731 0.08333333333333 0.81990218997126 32.065 > 103 105 S 0.05789784568731 0.41666666666667 0.81990218997126 32.065 > 103 106 S 0.55789784568731 0.41666666666667 0.81990218997126 32.065 > 103 107 S 0.05789784568731 0.75000000000000 0.81990218997126 32.065 > 103 108 S 0.55789784568731 0.75000000000000 0.81990218997126 32.065 > 103 109 S 0.07725432249211 0.08333333333333 0.32598732959489 32.065 > 109 110 S 0.57725432249211 0.08333333333333 0.32598732959489 32.065 > 109 111 S 0.07725432249211 0.41666666666667 0.32598732959489 32.065 > 109 112 S 0.57725432249211 0.41666666666667 0.32598732959489 32.065 > 109 113 S 0.07725432249211 0.75000000000000 0.32598732959489 32.065 > 109 114 S 0.57725432249211 0.75000000000000 0.32598732959489 32.065 > 109 115 S 0.06082073279194 0.25000000000000 0.59008961438417 32.065 > 115 116 S 0.56082073279194 0.25000000000000 0.59008961438417 32.065 > 115 117 S 0.06082073279194 0.58333333333333 0.59008961438417 32.065 > 115 118 S 0.56082073279194 0.58333333333333 0.59008961438417 32.065 > 115 119 S 0.06082073279194 0.91666666666667 0.59008961438417 32.065 > 115 120 S 0.56082073279194 0.91666666666667 0.59008961438417 32.065 > 115 121 S 0.42882705386461 0.08333333333333 0.93442941653942 32.065 > 121 122 S 0.92882705386461 0.08333333333333 0.93442941653942 32.065 > 121 123 S 0.42882705386461 0.41666666666667 0.93442941653942 32.065 > 121 124 S 0.92882705386461 0.41666666666667 0.93442941653942 32.065 > 121 125 S 0.42882705386461 0.75000000000000 0.93442941653942 32.065 > 121 126 S 0.92882705386461 0.75000000000000 0.93442941653942 32.065 > 121 127 S 0.29943168220989 0.08333333333333 0.11850278459551 32.065 > 127 128 S 0.79943168220989 0.08333333333333 0.11850278459551 32.065 > 127 129 S 0.29943168220989 0.41666666666667 0.11850278459551 32.065 > 127 130 S 0.79943168220989 0.41666666666667 0.11850278459551 32.065 > 127 131 S 0.29943168220989 0.75000000000000 0.11850278459551 32.065 > 127 132 S 0.79943168220989 0.75000000000000 0.11850278459551 32.065 > 127 133 S 0.20056831779011 0.25000000000000 0.88149721540449 32.065 > 133 134 S 0.70056831779011 0.25000000000000 0.88149721540449 32.065 > 133 135 S 0.20056831779011 0.58333333333333 0.88149721540449 32.065 > 133 136 S 0.70056831779011 0.58333333333333 0.88149721540449 32.065 > 133 137 S 0.20056831779011 0.91666666666667 0.88149721540449 32.065 > 133 138 S 0.70056831779011 0.91666666666667 0.88149721540449 32.065 > 133 139 S 0.31169464602718 0.08333333333333 0.47302792136723 32.065 > 139 140 S 0.81169464602718 0.08333333333333 0.47302792136723 32.065 > 139 141 S 0.31169464602718 0.41666666666667 0.47302792136723 32.065 > 139 142 S 0.81169464602718 0.41666666666667 0.47302792136723 32.065 > 139 143 S 0.31169464602718 0.75000000000000 0.47302792136723 32.065 > 139 144 S 0.81169464602718 0.75000000000000 0.47302792136723 32.065 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.4253152 0.0000000 -0.9236317 0.0000000 12.4167502 0.0000000 -0.9236361 0.0000000 13.1355063 -------------------------- Born effective charges -------------------------- 1 In 3.4205336 0.0000000 -0.0047733 0.0000000 3.9948744 0.0000000 0.1110571 0.0000000 4.0467312 2 In 3.4205336 0.0000000 -0.0047733 0.0000000 3.9948744 0.0000000 0.1110571 0.0000000 4.0467312 3 In 3.8935609 0.0000000 -0.2057799 0.0000000 4.2897907 0.0000000 -0.8728919 0.0000000 3.7126571 4 In 3.8935609 0.0000000 -0.2057799 0.0000000 4.2897907 0.0000000 -0.8728919 0.0000000 3.7126571 5 Sn 4.6772124 0.0000000 -0.2737631 0.0000000 5.3393492 0.0000000 0.5514414 0.0000000 4.3325285 6 Sn 4.9228815 0.0000000 -0.0254497 0.0000000 4.0617928 0.0000000 -0.1460540 0.0000000 3.4055210 7 Sn 4.6772124 0.0000000 -0.2737631 0.0000000 5.3393492 0.0000000 0.5514414 0.0000000 4.3325285 8 Sn 4.4516320 0.0000000 -0.1655465 0.0000000 4.0359805 0.0000000 -0.0879295 0.0000000 4.0108598 9 Sn 4.4516320 0.0000000 -0.1655465 0.0000000 4.0359805 0.0000000 -0.0879295 0.0000000 4.0108598 10 Sn 4.9228815 0.0000000 -0.0254497 0.0000000 4.0617928 0.0000000 -0.1460540 0.0000000 3.4055210 11 S -1.8080461 0.0000000 0.1724854 0.0000000 -2.9909325 0.0000000 -0.2494685 0.0000000 -3.1359248 12 S -3.7736653 0.0000000 0.7201825 0.0000000 -3.9772115 0.0000000 1.5518047 0.0000000 -2.0511853 13 S -3.3104711 0.0000000 0.5447101 0.0000000 -2.6863469 0.0000000 0.6859937 0.0000000 -1.9504414 14 S -3.8024663 0.0000000 -0.6404560 0.0000000 -2.1370427 0.0000000 -0.1178020 0.0000000 -3.3748879 15 S -3.3104711 0.0000000 0.5447101 0.0000000 -2.6863469 0.0000000 0.6859937 0.0000000 -1.9504414 16 S -3.4088201 0.0000000 -0.2786305 0.0000000 -2.3060081 0.0000000 -0.8625107 0.0000000 -2.3872312 17 S -2.5882311 0.0000000 -0.5547220 0.0000000 -3.0933475 0.0000000 -0.5525237 0.0000000 -2.9326431 18 S -3.8024663 0.0000000 -0.6404560 0.0000000 -2.1370427 0.0000000 -0.1178020 0.0000000 -3.3748879 19 S -3.4088201 0.0000000 -0.2786305 0.0000000 -2.3060081 0.0000000 -0.8625107 0.0000000 -2.3872312 20 S -2.5882311 0.0000000 -0.5547220 0.0000000 -3.0933475 0.0000000 -0.5525237 0.0000000 -2.9326431 21 S -3.7736653 0.0000000 0.7201825 0.0000000 -3.9772115 0.0000000 1.5518047 0.0000000 -2.0511853 22 S -2.6741203 0.0000000 0.7117430 0.0000000 -4.5308984 0.0000000 -0.0111167 0.0000000 -3.6759841 23 S -2.6741203 0.0000000 0.7117430 0.0000000 -4.5308984 0.0000000 -0.0111167 0.0000000 -3.6759841 24 S -1.8080461 0.0000000 0.1724854 0.0000000 -2.9909325 0.0000000 -0.2494685 0.0000000 -3.1359248 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 13 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 283, Lambda: 0.20 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/77) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 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 0.918 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.052 ( 0.000 0.000 0.000) 0.000 1.074 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.378 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.646 ( 0.000 0.000 0.000) 0.000 1.721 ( 0.000 0.000 0.000) 0.000 1.877 ( 0.000 0.000 0.000) 0.000 1.906 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 0.000) 0.000 2.059 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.142 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 2.906 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.503 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.887 ( 0.000 0.000 0.000) 0.000 4.460 ( 0.000 0.000 0.000) 0.000 4.514 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.981 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.151 ( 0.000 0.000 0.000) 0.000 5.327 ( 0.000 0.000 0.000) 0.000 5.339 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.563 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.847 ( 0.000 0.000 0.000) 0.000 6.065 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.757 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 6.995 ( 0.000 0.000 0.000) 0.000 6.999 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.208 ( 0.000 0.000 0.000) 0.000 7.251 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.746 ( 0.000 0.000 0.000) 0.000 8.006 ( 0.000 0.000 0.000) 0.000 8.062 ( 0.000 0.000 0.000) 0.000 8.218 ( 0.000 0.000 0.000) 0.000 8.267 ( 0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.577 ( 0.000 0.000 0.000) 0.000 8.825 ( 0.000 0.000 0.000) 0.000 9.000 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 0.000) 0.000 9.504 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/77) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 16.994 0.000 1.039) 17.026 0.374 ( 20.741 0.000 -5.210) 21.386 0.763 ( 33.932 0.000 7.326) 34.714 0.969 ( -4.405 0.000 2.894) 5.271 1.001 ( -0.273 0.000 5.552) 5.559 1.053 ( 1.901 0.000 -2.830) 3.409 1.077 ( 0.886 0.000 -2.154) 2.329 1.251 ( 1.877 0.000 1.658) 2.504 1.298 ( 4.029 0.000 -6.144) 7.348 1.364 ( -1.147 0.000 -0.852) 1.429 1.445 ( -2.731 0.000 -4.205) 5.014 1.635 ( 0.707 0.000 -0.630) 0.947 1.648 ( 0.013 0.000 0.531) 0.532 1.740 ( 2.485 0.000 -2.033) 3.211 1.868 ( -0.948 0.000 0.311) 0.997 1.942 ( 0.534 0.000 5.292) 5.319 2.011 ( 0.165 0.000 0.005) 0.165 2.044 ( -1.475 0.000 -0.185) 1.486 2.140 ( 0.114 0.000 0.170) 0.204 2.203 ( -3.595 0.000 -7.905) 8.684 2.356 ( 0.001 0.000 -0.062) 0.062 2.716 ( -3.364 0.000 -0.267) 3.374 2.888 ( -1.429 0.000 -4.359) 4.588 3.186 ( 2.696 0.000 1.603) 3.136 3.348 ( -0.691 0.000 1.650) 1.789 3.418 ( -6.460 0.000 -3.096) 7.164 3.518 ( 4.780 0.000 -12.862) 13.722 3.674 ( -5.973 0.000 -3.630) 6.989 4.034 ( 8.363 0.000 5.745) 10.147 4.422 ( -3.219 0.000 1.760) 3.668 4.533 ( -2.526 0.000 0.489) 2.573 4.545 ( 2.781 0.000 -2.739) 3.903 4.782 ( -13.018 0.000 6.325) 14.473 4.903 ( 0.594 0.000 1.702) 1.803 4.917 ( -2.733 0.000 -8.243) 8.684 5.087 ( -2.068 0.000 -3.068) 3.700 5.221 ( 8.265 0.000 -5.581) 9.973 5.323 ( -0.188 0.000 -1.055) 1.071 5.516 ( -4.439 0.000 -0.581) 4.477 5.569 ( 1.697 0.000 -1.043) 1.992 5.679 ( 2.191 0.000 -2.315) 3.188 5.688 ( -1.365 0.000 3.384) 3.649 5.809 ( 5.121 0.000 -2.772) 5.823 5.853 ( 3.443 0.000 -2.038) 4.001 6.040 ( -2.834 0.000 0.686) 2.916 6.091 ( -9.837 0.000 23.338) 25.327 6.316 ( 5.659 0.000 2.558) 6.210 6.323 ( 0.350 0.000 0.107) 0.366 6.621 ( 1.396 0.000 -1.694) 2.195 6.726 ( -3.624 0.000 3.399) 4.969 6.844 ( -0.605 0.000 -13.740) 13.753 6.845 ( 1.189 0.000 -2.322) 2.608 6.908 ( -4.922 0.000 1.384) 5.112 6.945 ( -1.792 0.000 1.004) 2.055 7.009 ( 1.262 0.000 0.525) 1.367 7.076 ( -7.297 0.000 -1.801) 7.516 7.121 ( -0.595 0.000 0.004) 0.595 7.412 ( 6.414 0.000 7.958) 10.221 7.442 ( 6.264 0.000 -3.593) 7.222 7.691 ( -1.699 0.000 0.406) 1.747 8.002 ( -0.649 0.000 1.290) 1.445 8.048 ( 1.048 0.000 0.760) 1.295 8.121 ( -2.252 0.000 6.867) 7.227 8.224 ( 0.606 0.000 1.058) 1.219 8.316 ( -1.717 0.000 -2.136) 2.741 8.392 ( -4.212 0.000 -4.260) 5.991 8.538 ( 1.631 0.000 -1.063) 1.947 8.650 ( 4.179 0.000 2.431) 4.835 8.855 ( -0.666 0.000 -2.917) 2.992 9.017 ( 1.574 0.000 0.224) 1.590 9.417 ( -5.017 0.000 -0.819) 5.084 9.566 ( 1.461 0.000 2.562) 2.949 ======================= Grid point 2 (3/77) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 11.099 0.000 -0.140) 11.100 0.646 ( 11.277 0.000 -4.879) 12.287 0.876 ( -6.552 0.000 2.021) 6.856 0.930 ( -3.739 0.000 1.880) 4.185 1.057 ( 2.623 0.000 4.851) 5.515 1.081 ( 0.450 0.000 -1.106) 1.194 1.132 ( -1.246 0.000 -4.826) 4.984 1.318 ( 2.250 0.000 -0.398) 2.285 1.342 ( -0.650 0.000 -0.518) 0.831 1.384 ( 1.177 0.000 -1.144) 1.642 1.509 ( 13.120 0.000 4.712) 13.941 1.644 ( 0.685 0.000 -0.890) 1.124 1.650 ( -0.200 0.000 0.807) 0.831 1.792 ( 3.096 0.000 -1.787) 3.574 1.854 ( -0.601 0.000 0.210) 0.637 2.013 ( 1.123 0.000 3.476) 3.653 2.014 ( 0.094 0.000 0.012) 0.095 2.048 ( 5.929 0.000 -3.619) 6.946 2.115 ( 0.124 0.000 4.436) 4.438 2.142 ( 0.055 0.000 0.096) 0.111 2.355 ( 0.001 0.000 -0.039) 0.039 2.485 ( -18.519 0.000 -4.968) 19.174 2.906 ( 4.721 0.000 -4.188) 6.310 3.131 ( -10.111 0.000 1.224) 10.184 3.344 ( 6.054 0.000 9.446) 11.219 3.437 ( 4.329 0.000 -11.658) 12.435 3.512 ( -3.437 0.000 -1.746) 3.855 3.568 ( -2.902 0.000 0.356) 2.923 4.184 ( 5.007 0.000 3.011) 5.843 4.386 ( -1.280 0.000 0.629) 1.426 4.473 ( -3.687 0.000 -0.496) 3.721 4.569 ( 1.017 0.000 -1.204) 1.577 4.624 ( -4.723 0.000 0.928) 4.814 4.843 ( -1.759 0.000 -3.017) 3.492 4.922 ( 0.462 0.000 1.076) 1.171 5.033 ( -1.794 0.000 -1.471) 2.320 5.313 ( -0.236 0.000 -0.714) 0.752 5.334 ( 3.889 0.000 1.813) 4.291 5.447 ( -1.337 0.000 -1.376) 1.918 5.591 ( 0.909 0.000 -0.624) 1.102 5.641 ( -3.138 0.000 -2.323) 3.904 5.689 ( -0.211 0.000 1.582) 1.596 5.893 ( 5.413 0.000 -2.159) 5.827 5.926 ( 3.803 0.000 -1.646) 4.144 5.979 ( -4.417 0.000 1.363) 4.622 6.034 ( -4.568 0.000 7.791) 9.032 6.328 ( 0.190 0.000 0.062) 0.200 6.465 ( 8.552 0.000 3.850) 9.379 6.643 ( 2.053 0.000 -2.545) 3.270 6.682 ( -2.918 0.000 3.192) 4.325 6.694 ( -8.890 0.000 -4.534) 9.979 6.848 ( 0.174 0.000 -0.914) 0.930 6.860 ( -0.028 0.000 -2.613) 2.613 6.939 ( -0.122 0.000 0.016) 0.123 6.976 ( -3.417 0.000 0.878) 3.528 7.034 ( 0.951 0.000 0.223) 0.977 7.109 ( -0.524 0.000 -0.001) 0.524 7.512 ( 2.863 0.000 -0.648) 2.935 7.544 ( 4.462 0.000 1.410) 4.679 7.653 ( -2.441 0.000 0.210) 2.450 7.999 ( -0.191 0.000 0.510) 0.545 8.057 ( -0.901 0.000 2.424) 2.586 8.152 ( 3.102 0.000 3.668) 4.803 8.238 ( -2.428 0.000 -2.761) 3.676 8.261 ( -0.169 0.000 0.892) 0.908 8.313 ( -2.485 0.000 -3.147) 4.010 8.561 ( 0.930 0.000 -0.173) 0.946 8.713 ( 1.978 0.000 0.213) 1.989 8.828 ( -1.023 0.000 -0.516) 1.146 9.042 ( 0.746 0.000 0.285) 0.799 9.344 ( -2.241 0.000 -0.552) 2.308 9.589 ( 0.337 0.000 0.771) 0.842 ======================= Grid point 5 (4/77) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( 0.000 15.021 0.000) 15.021 0.356 ( 0.000 17.692 0.000) 17.692 0.832 ( 0.000 17.554 0.000) 17.554 0.906 ( 0.000 0.291 0.000) 0.291 0.928 ( 0.000 18.591 0.000) 18.591 1.206 ( 0.000 2.926 0.000) 2.926 1.230 ( 0.000 -1.772 0.000) 1.772 1.288 ( 0.000 6.909 0.000) 6.909 1.429 ( 0.000 25.400 0.000) 25.400 1.430 ( 0.000 9.185 0.000) 9.185 1.616 ( 0.000 -3.585 0.000) 3.585 1.699 ( 0.000 4.747 0.000) 4.747 1.759 ( 0.000 13.131 0.000) 13.131 1.838 ( 0.000 8.236 0.000) 8.236 1.907 ( 0.000 1.692 0.000) 1.692 2.037 ( 0.000 9.512 0.000) 9.512 2.049 ( 0.000 -0.034 0.000) 0.034 2.082 ( 0.000 -1.367 0.000) 1.367 2.230 ( 0.000 18.303 0.000) 18.303 2.310 ( 0.000 10.285 0.000) 10.285 2.489 ( 0.000 11.441 0.000) 11.441 2.677 ( 0.000 -3.341 0.000) 3.341 2.902 ( 0.000 -0.432 0.000) 0.432 2.999 ( 0.000 0.085 0.000) 0.085 3.229 ( 0.000 -2.188 0.000) 2.188 3.287 ( 0.000 -1.631 0.000) 1.631 3.494 ( 0.000 -0.490 0.000) 0.490 3.742 ( 0.000 -3.925 0.000) 3.925 3.875 ( 0.000 -0.355 0.000) 0.355 4.455 ( 0.000 -3.444 0.000) 3.444 4.496 ( 0.000 -4.813 0.000) 4.813 4.784 ( 0.000 19.969 0.000) 19.969 4.914 ( 0.000 -2.742 0.000) 2.742 4.999 ( 0.000 -1.488 0.000) 1.488 5.032 ( 0.000 -2.749 0.000) 2.749 5.091 ( 0.000 5.546 0.000) 5.546 5.244 ( 0.000 -5.125 0.000) 5.125 5.362 ( 0.000 -4.102 0.000) 4.102 5.588 ( 0.000 -0.815 0.000) 0.815 5.618 ( 0.000 9.340 0.000) 9.340 5.694 ( 0.000 7.806 0.000) 7.806 5.794 ( 0.000 2.919 0.000) 2.919 5.798 ( 0.000 6.980 0.000) 6.980 5.862 ( 0.000 10.286 0.000) 10.286 5.966 ( 0.000 13.177 0.000) 13.177 6.156 ( 0.000 8.556 0.000) 8.556 6.340 ( 0.000 8.791 0.000) 8.791 6.543 ( 0.000 -10.844 0.000) 10.844 6.604 ( 0.000 -4.120 0.000) 4.120 6.766 ( 0.000 6.254 0.000) 6.254 6.767 ( 0.000 -6.050 0.000) 6.050 6.909 ( 0.000 -0.206 0.000) 0.206 7.038 ( 0.000 -0.155 0.000) 0.155 7.094 ( 0.000 4.322 0.000) 4.322 7.193 ( 0.000 3.759 0.000) 3.759 7.253 ( 0.000 3.424 0.000) 3.424 7.283 ( 0.000 3.115 0.000) 3.115 7.290 ( 0.000 5.659 0.000) 5.659 7.683 ( 0.000 -2.067 0.000) 2.067 7.709 ( 0.000 -3.096 0.000) 3.096 7.966 ( 0.000 -3.642 0.000) 3.642 8.074 ( 0.000 1.167 0.000) 1.167 8.197 ( 0.000 -2.589 0.000) 2.589 8.245 ( 0.000 -3.154 0.000) 3.154 8.256 ( 0.000 -0.894 0.000) 0.894 8.353 ( 0.000 0.794 0.000) 0.794 8.461 ( 0.000 -0.629 0.000) 0.629 8.534 ( 0.000 -3.853 0.000) 3.853 8.767 ( 0.000 -5.334 0.000) 5.334 8.978 ( 0.000 -2.045 0.000) 2.045 9.269 ( 0.000 -2.988 0.000) 2.988 9.475 ( 0.000 -2.795 0.000) 2.795 ======================= Grid point 6 (5/77) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 11.971 12.950 1.370) 17.688 0.593 ( 20.250 5.433 7.216) 22.173 0.865 ( 0.642 -1.662 0.018) 1.781 0.935 ( 3.337 7.116 -0.083) 7.860 1.053 ( 11.883 17.255 0.649) 20.961 1.199 ( -1.083 1.951 -0.390) 2.265 1.263 ( 5.592 0.362 -4.013) 6.892 1.331 ( 4.535 9.587 0.842) 10.638 1.374 ( -3.733 9.280 0.556) 10.019 1.406 ( -1.282 23.739 -0.651) 23.782 1.615 ( -1.453 4.599 1.445) 5.035 1.678 ( -1.822 7.537 -4.797) 9.118 1.711 ( -0.613 7.351 -0.506) 7.394 1.825 ( 0.258 8.512 0.359) 8.523 1.955 ( 3.211 3.473 3.094) 5.652 1.996 ( -1.931 4.098 1.044) 4.649 2.033 ( -0.736 5.063 -0.117) 5.118 2.106 ( -0.718 -1.518 -1.962) 2.583 2.230 ( -0.295 18.067 0.435) 18.075 2.312 ( -0.706 9.673 -0.296) 9.703 2.491 ( -0.308 10.575 -0.733) 10.605 2.680 ( -2.399 -2.204 -0.269) 3.269 2.841 ( -1.387 -2.169 -6.266) 6.774 3.111 ( 6.066 -4.464 6.610) 10.021 3.232 ( -3.821 -5.136 -0.994) 6.478 3.324 ( 4.263 -2.417 1.848) 5.238 3.484 ( 0.438 -1.561 -8.956) 9.101 3.614 ( -7.658 -2.581 0.538) 8.100 3.991 ( 7.095 -1.558 4.263) 8.423 4.475 ( -0.854 -3.218 0.054) 3.330 4.515 ( 2.821 -5.201 0.445) 5.934 4.769 ( -0.141 19.835 -1.174) 19.870 4.848 ( -8.348 -1.045 1.519) 8.549 4.948 ( -0.816 -2.891 -0.745) 3.095 5.033 ( -4.769 4.341 -0.531) 6.471 5.119 ( -5.738 8.693 -0.166) 10.417 5.175 ( 6.918 0.738 -9.840) 12.051 5.352 ( -1.202 -2.136 1.755) 3.015 5.587 ( 1.066 -0.587 -1.820) 2.190 5.595 ( -0.822 11.731 -1.539) 11.860 5.679 ( -0.752 1.355 -3.181) 3.538 5.787 ( 0.993 7.623 -1.475) 7.827 5.832 ( -0.923 -1.292 9.498) 9.630 5.880 ( 1.915 6.017 0.473) 6.332 5.991 ( 1.873 11.449 2.830) 11.941 6.132 ( -2.580 9.259 0.739) 9.640 6.349 ( 1.064 8.544 1.062) 8.675 6.545 ( 0.387 -8.722 0.792) 8.766 6.575 ( -2.382 -5.794 -2.192) 6.637 6.711 ( -3.896 -0.505 -1.615) 4.247 6.809 ( -0.887 -3.134 2.981) 4.416 6.868 ( -4.403 9.456 3.017) 10.858 6.979 ( -2.275 3.614 -4.179) 5.975 7.030 ( -3.794 -0.430 0.781) 3.898 7.147 ( -5.059 6.315 -0.274) 8.096 7.201 ( -2.378 9.557 -2.858) 10.254 7.244 ( -3.564 12.914 -6.716) 14.986 7.419 ( 4.877 0.260 4.206) 6.445 7.453 ( -2.022 3.184 0.427) 3.796 7.691 ( -1.092 -0.353 -2.715) 2.947 7.967 ( -0.090 -3.261 0.999) 3.412 8.060 ( 0.676 1.315 0.737) 1.652 8.118 ( -4.326 -1.213 6.475) 7.881 8.209 ( 0.878 -1.519 0.827) 1.940 8.286 ( -0.986 -2.176 -2.318) 3.329 8.381 ( -3.849 -1.089 -5.098) 6.480 8.482 ( 3.642 -3.907 2.445) 5.874 8.603 ( 3.945 -4.052 1.408) 5.828 8.782 ( 0.324 -6.153 -1.053) 6.251 8.990 ( 1.097 -2.467 0.199) 2.707 9.324 ( -0.044 -6.628 1.111) 6.720 9.495 ( 2.136 -4.438 0.667) 4.970 ======================= Grid point 7 (6/77) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 9.543 8.696 -0.527) 12.922 0.829 ( -1.182 4.313 0.894) 4.561 0.889 ( 7.856 3.932 1.520) 8.916 0.971 ( -0.119 6.763 -0.443) 6.778 1.151 ( -1.291 7.856 -1.146) 8.043 1.183 ( 0.240 7.444 1.305) 7.561 1.269 ( -1.269 0.117 0.152) 1.283 1.299 ( -1.720 1.674 -1.938) 3.085 1.394 ( 1.205 16.925 -1.092) 17.003 1.572 ( 2.105 16.047 1.600) 16.263 1.628 ( 8.732 14.386 1.355) 16.883 1.645 ( 0.218 -0.481 -2.262) 2.323 1.719 ( 1.473 5.361 1.439) 5.743 1.841 ( 0.387 6.548 -0.197) 6.562 1.988 ( -0.194 6.319 1.856) 6.589 2.017 ( 1.848 5.631 -1.869) 6.214 2.062 ( -1.467 1.399 -2.093) 2.914 2.078 ( 7.596 2.328 4.391) 9.077 2.214 ( -2.777 14.094 1.044) 14.403 2.296 ( -0.548 10.679 1.369) 10.780 2.479 ( -0.727 9.904 -1.484) 10.041 2.510 ( -11.882 5.081 -3.052) 13.278 2.869 ( 6.243 -3.105 -4.338) 8.212 3.061 ( -11.038 -5.056 0.278) 12.144 3.258 ( 5.040 -5.317 10.335) 12.668 3.405 ( -1.888 -3.905 -14.767) 15.391 3.432 ( 5.585 -2.978 1.767) 6.572 3.524 ( -5.042 -2.113 2.729) 6.110 4.125 ( 4.859 -1.646 2.773) 5.831 4.436 ( -2.672 -2.868 -0.353) 3.936 4.547 ( 0.327 -4.727 0.707) 4.791 4.704 ( -4.508 7.742 -0.659) 8.983 4.800 ( 2.191 17.089 -0.542) 17.237 4.886 ( -4.890 12.676 -1.760) 13.700 4.944 ( -0.314 -5.561 -2.360) 6.049 5.105 ( -0.065 11.169 4.979) 12.228 5.177 ( -1.472 -5.924 -5.663) 8.327 5.421 ( 7.384 1.528 1.464) 7.681 5.552 ( -3.982 7.213 -3.725) 9.042 5.596 ( -1.427 4.535 2.029) 5.169 5.648 ( 0.564 3.196 -1.407) 3.538 5.778 ( -1.860 -1.799 1.293) 2.893 5.854 ( 0.372 4.751 3.064) 5.666 5.949 ( 5.452 3.481 -2.902) 7.089 6.020 ( -2.434 3.595 3.319) 5.464 6.099 ( -0.444 13.449 0.490) 13.465 6.394 ( 2.391 5.232 1.913) 6.062 6.528 ( -0.133 -4.340 -2.508) 5.014 6.564 ( 0.533 -7.608 1.151) 7.713 6.605 ( -5.788 0.222 -0.395) 5.806 6.764 ( -1.049 -3.957 -1.535) 4.372 6.872 ( -1.110 15.603 4.313) 16.227 6.946 ( -1.704 1.579 -0.170) 2.330 6.958 ( -1.553 -0.587 -1.714) 2.386 7.072 ( -1.484 11.263 -2.290) 11.589 7.143 ( -0.641 8.210 -1.427) 8.358 7.218 ( -0.251 8.889 -0.091) 8.893 7.483 ( 4.571 -2.648 -5.677) 7.755 7.518 ( 0.181 -1.491 7.736) 7.881 7.654 ( -1.280 -0.133 -1.388) 1.893 7.973 ( 0.272 -2.500 0.157) 2.520 8.063 ( -1.559 -0.213 2.363) 2.839 8.125 ( 2.091 -3.367 2.890) 4.905 8.240 ( -2.286 0.528 -2.780) 3.638 8.241 ( 1.889 -1.180 1.775) 2.848 8.297 ( -3.048 -1.103 -3.216) 4.566 8.528 ( 1.012 -3.151 0.674) 3.377 8.659 ( 1.904 -4.427 -0.207) 4.824 8.771 ( -0.724 -5.356 -0.124) 5.406 9.008 ( 0.572 -3.026 0.235) 3.088 9.298 ( -1.429 -4.111 -0.111) 4.353 9.525 ( 0.709 -5.451 0.493) 5.519 ======================= Grid point 10 (7/77) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.586 ( 0.000 20.294 0.000) 20.294 0.718 ( 0.000 17.250 0.000) 17.250 0.856 ( 0.000 2.903 0.000) 2.903 0.982 ( 0.000 7.430 0.000) 7.430 1.224 ( 0.000 2.861 0.000) 2.861 1.247 ( 0.000 3.306 0.000) 3.306 1.399 ( 0.000 7.566 0.000) 7.566 1.525 ( 0.000 1.041 0.000) 1.041 1.654 ( 0.000 22.735 0.000) 22.735 1.783 ( 0.000 4.770 0.000) 4.770 1.820 ( 0.000 19.850 0.000) 19.850 1.966 ( 0.000 17.755 0.000) 17.755 1.971 ( 0.000 2.671 0.000) 2.671 2.001 ( 0.000 12.277 0.000) 12.277 2.052 ( 0.000 13.061 0.000) 13.061 2.088 ( 0.000 3.176 0.000) 3.176 2.116 ( 0.000 11.641 0.000) 11.641 2.237 ( 0.000 9.378 0.000) 9.378 2.459 ( 0.000 3.489 0.000) 3.489 2.629 ( 0.000 -0.034 0.000) 0.034 2.631 ( 0.000 16.838 0.000) 16.838 2.765 ( 0.000 15.156 0.000) 15.156 2.894 ( 0.000 0.277 0.000) 0.277 3.070 ( 0.000 7.331 0.000) 7.331 3.170 ( 0.000 -3.551 0.000) 3.551 3.309 ( 0.000 5.443 0.000) 5.443 3.503 ( 0.000 0.909 0.000) 0.909 3.653 ( 0.000 -3.294 0.000) 3.294 3.908 ( 0.000 4.371 0.000) 4.371 4.380 ( 0.000 -3.218 0.000) 3.218 4.387 ( 0.000 -5.695 0.000) 5.695 4.852 ( 0.000 -4.672 0.000) 4.672 4.885 ( 0.000 -3.795 0.000) 3.795 4.958 ( 0.000 -4.245 0.000) 4.245 5.099 ( 0.000 0.285 0.000) 0.285 5.236 ( 0.000 -4.151 0.000) 4.151 5.279 ( 0.000 14.347 0.000) 14.347 5.306 ( 0.000 6.384 0.000) 6.384 5.559 ( 0.000 0.356 0.000) 0.356 5.739 ( 0.000 0.321 0.000) 0.321 5.802 ( 0.000 2.485 0.000) 2.485 5.910 ( 0.000 12.421 0.000) 12.421 6.051 ( 0.000 13.711 0.000) 13.711 6.144 ( 0.000 15.219 0.000) 15.219 6.259 ( 0.000 11.002 0.000) 11.002 6.299 ( 0.000 2.334 0.000) 2.334 6.419 ( 0.000 -1.500 0.000) 1.500 6.484 ( 0.000 10.191 0.000) 10.191 6.649 ( 0.000 -5.493 0.000) 5.493 6.695 ( 0.000 10.645 0.000) 10.645 6.843 ( 0.000 -4.971 0.000) 4.971 6.857 ( 0.000 4.353 0.000) 4.353 7.004 ( 0.000 -1.228 0.000) 1.228 7.195 ( 0.000 6.941 0.000) 6.941 7.227 ( 0.000 0.145 0.000) 0.145 7.306 ( 0.000 2.738 0.000) 2.738 7.415 ( 0.000 6.204 0.000) 6.204 7.436 ( 0.000 5.162 0.000) 5.162 7.643 ( 0.000 -0.681 0.000) 0.681 7.677 ( 0.000 1.955 0.000) 1.955 7.877 ( 0.000 -4.205 0.000) 4.205 8.096 ( 0.000 -6.303 0.000) 6.303 8.103 ( 0.000 1.391 0.000) 1.391 8.202 ( 0.000 -1.331 0.000) 1.331 8.240 ( 0.000 -0.489 0.000) 0.489 8.359 ( 0.000 -0.204 0.000) 0.204 8.440 ( 0.000 -1.531 0.000) 1.531 8.441 ( 0.000 -4.678 0.000) 4.678 8.642 ( 0.000 -5.877 0.000) 5.877 8.919 ( 0.000 -3.663 0.000) 3.663 9.187 ( 0.000 -4.746 0.000) 4.746 9.396 ( 0.000 -4.835 0.000) 4.835 ======================= Grid point 11 (8/77) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 11.658 10.101 3.142) 15.742 0.798 ( 6.908 15.232 -0.399) 16.730 0.886 ( 3.408 4.934 1.909) 6.293 1.042 ( 6.218 6.715 0.463) 9.164 1.205 ( -1.244 2.254 -0.365) 2.600 1.239 ( -0.520 3.797 -2.320) 4.480 1.399 ( 0.004 7.134 -0.608) 7.160 1.494 ( -3.010 1.842 0.205) 3.535 1.694 ( 0.641 16.999 1.640) 17.090 1.759 ( -1.212 6.811 -0.075) 6.919 1.849 ( 4.371 17.190 -1.619) 17.810 1.934 ( -0.749 7.406 -3.491) 8.221 1.988 ( 0.282 20.935 1.092) 20.966 2.013 ( 1.331 6.745 -0.366) 6.885 2.034 ( -2.688 7.874 -1.204) 8.407 2.086 ( 3.392 13.316 4.126) 14.348 2.147 ( 1.003 8.775 1.426) 8.946 2.238 ( 0.324 9.931 -0.851) 9.973 2.459 ( -0.426 4.205 0.789) 4.300 2.615 ( -1.806 11.516 0.034) 11.657 2.652 ( 1.435 6.544 -0.777) 6.745 2.770 ( 1.104 13.293 -0.812) 13.364 2.849 ( -3.949 3.192 -1.927) 5.431 3.103 ( 2.200 3.472 5.541) 6.899 3.167 ( -2.735 -2.926 -1.089) 4.151 3.300 ( 0.641 2.902 -0.914) 3.109 3.471 ( -1.799 -0.125 -8.803) 8.986 3.604 ( -3.834 2.887 3.387) 5.874 3.986 ( 6.190 1.874 3.959) 7.583 4.364 ( -1.590 -7.377 0.850) 7.594 4.421 ( 2.654 -2.726 -1.098) 3.960 4.779 ( -5.714 -5.362 -0.452) 7.848 4.862 ( -0.544 -1.928 -0.365) 2.036 5.014 ( 1.924 -3.131 -2.901) 4.682 5.105 ( 0.036 1.363 4.544) 4.744 5.182 ( -3.410 4.153 -0.883) 5.446 5.324 ( 4.461 7.048 0.018) 8.342 5.385 ( 6.312 7.853 0.540) 10.090 5.554 ( -0.344 -0.220 -0.716) 0.825 5.690 ( -2.882 0.331 -4.890) 5.686 5.830 ( 3.092 1.334 -0.050) 3.368 5.891 ( -2.407 12.301 1.845) 12.669 6.015 ( -4.017 13.735 -1.424) 14.381 6.096 ( -1.416 12.051 -1.776) 12.263 6.243 ( -3.562 12.708 2.654) 13.462 6.318 ( 0.724 -0.070 2.908) 2.998 6.424 ( -0.402 -2.568 0.727) 2.699 6.488 ( 1.052 10.952 0.862) 11.036 6.626 ( -5.032 8.883 -2.807) 10.589 6.683 ( 2.401 -1.672 -0.338) 2.945 6.790 ( -4.573 2.435 -1.195) 5.317 6.862 ( 0.330 -1.615 0.753) 1.812 7.000 ( -2.420 -2.001 -0.054) 3.141 7.162 ( 0.725 9.528 -0.719) 9.582 7.237 ( -0.743 2.029 -0.155) 2.166 7.307 ( -0.432 3.025 1.737) 3.514 7.406 ( 0.993 3.336 -1.810) 3.923 7.476 ( -0.364 5.531 2.187) 5.959 7.575 ( -4.077 7.009 3.684) 8.906 7.672 ( 0.700 -0.115 -9.430) 9.456 7.883 ( 0.585 -4.292 0.350) 4.346 8.037 ( -6.243 -5.864 2.704) 8.982 8.097 ( -0.240 1.695 0.848) 1.911 8.179 ( 0.362 -0.997 0.695) 1.268 8.265 ( 1.132 0.034 -1.017) 1.522 8.343 ( -2.731 -2.429 -3.170) 4.839 8.432 ( 1.370 -0.959 3.677) 4.039 8.506 ( 3.710 -5.081 0.678) 6.328 8.647 ( 0.253 -6.107 -0.376) 6.124 8.923 ( 0.373 -3.962 0.104) 3.980 9.199 ( 0.432 -5.660 0.687) 5.718 9.394 ( -0.014 -5.526 -0.144) 5.528 ======================= Grid point 12 (9/77) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 3.344 6.470 -1.241) 7.388 0.895 ( 4.124 3.134 0.209) 5.184 0.988 ( 4.091 10.741 2.154) 11.694 1.142 ( 1.896 8.654 -0.460) 8.871 1.203 ( 1.268 0.163 3.087) 3.341 1.219 ( 0.372 1.113 -2.819) 3.053 1.394 ( -0.364 9.827 0.228) 9.837 1.447 ( -1.661 4.638 0.503) 4.952 1.644 ( -2.765 10.440 -1.457) 10.898 1.761 ( -0.349 5.016 1.525) 5.254 1.902 ( 0.998 14.750 -4.396) 15.424 1.948 ( -1.287 16.408 1.669) 16.542 1.974 ( 4.591 6.678 -5.162) 9.608 2.014 ( -0.769 10.347 3.897) 11.084 2.034 ( -0.936 6.613 2.809) 7.245 2.169 ( 1.044 9.906 0.194) 9.962 2.211 ( 3.084 9.584 2.964) 10.495 2.267 ( 7.837 17.362 -2.203) 19.176 2.453 ( -1.237 7.315 4.003) 8.430 2.525 ( -7.286 14.239 -3.027) 16.278 2.665 ( 0.491 5.928 -0.581) 5.977 2.771 ( -0.610 17.252 -1.718) 17.348 2.833 ( 4.450 1.510 0.514) 4.727 3.018 ( -10.221 1.658 -2.635) 10.684 3.189 ( 3.332 -2.225 7.164) 8.209 3.311 ( -1.991 -3.942 -2.432) 5.041 3.397 ( 0.740 1.874 -6.472) 6.779 3.579 ( -1.194 7.439 2.244) 7.861 4.120 ( 5.429 1.456 3.202) 6.469 4.326 ( -2.623 -8.529 -0.340) 8.930 4.444 ( 0.352 -3.265 -0.572) 3.334 4.705 ( -1.994 -3.610 -0.547) 4.160 4.851 ( 0.127 -1.583 -1.229) 2.008 4.989 ( -2.351 -4.464 -0.296) 5.054 5.122 ( -0.492 6.174 2.486) 6.674 5.143 ( -0.340 6.554 -0.436) 6.578 5.422 ( 2.136 10.597 -2.064) 11.005 5.436 ( 2.942 7.212 0.484) 7.804 5.553 ( -1.580 -1.652 0.634) 2.372 5.678 ( 6.226 -1.118 -5.226) 8.205 5.806 ( -6.497 5.924 4.839) 10.036 5.923 ( 3.531 0.768 -1.114) 3.781 5.960 ( -0.361 18.918 -1.155) 18.957 6.078 ( -0.663 11.404 0.259) 11.426 6.182 ( -3.672 10.328 2.126) 11.166 6.338 ( 0.661 -1.304 0.273) 1.488 6.393 ( -2.291 -3.783 -0.199) 4.427 6.502 ( -1.433 10.475 0.301) 10.576 6.564 ( 0.850 5.068 0.126) 5.141 6.714 ( -2.550 11.815 -1.263) 12.153 6.722 ( 1.344 2.004 0.054) 2.414 6.867 ( -0.185 -5.151 0.784) 5.214 6.935 ( -2.815 -1.609 -0.728) 3.323 7.202 ( -1.758 6.089 -0.321) 6.346 7.213 ( 3.035 7.316 1.943) 8.155 7.297 ( -1.636 5.914 -0.726) 6.179 7.422 ( -0.631 9.022 -2.079) 9.280 7.455 ( 3.577 1.797 -2.331) 4.632 7.542 ( -4.859 4.009 5.198) 8.167 7.652 ( 1.503 1.485 -3.915) 4.449 7.901 ( 1.834 -4.590 -2.075) 5.361 7.951 ( -4.598 -8.161 3.797) 10.107 8.107 ( 0.352 0.594 1.052) 1.259 8.210 ( 2.216 -1.324 0.736) 2.684 8.268 ( -1.334 0.223 -0.298) 1.385 8.282 ( -1.046 0.626 -2.181) 2.499 8.454 ( -0.216 -3.029 1.545) 3.407 8.573 ( 3.223 -3.747 -0.609) 4.980 8.638 ( -1.137 -6.528 0.193) 6.629 8.930 ( 0.216 -4.469 0.127) 4.476 9.199 ( -0.371 -5.156 0.193) 5.173 9.395 ( 0.093 -6.946 0.047) 6.947 ======================= Grid point 15 (10/77) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 0.000 10.338 0.000) 10.338 0.949 ( 0.000 5.266 0.000) 5.266 0.999 ( 0.000 10.856 0.000) 10.856 1.188 ( 0.000 12.392 0.000) 12.392 1.329 ( 0.000 6.032 0.000) 6.032 1.398 ( 0.000 11.995 0.000) 11.995 1.469 ( 0.000 -2.838 0.000) 2.838 1.610 ( 0.000 12.484 0.000) 12.484 1.851 ( 0.000 1.645 0.000) 1.645 1.895 ( 0.000 3.291 0.000) 3.291 2.016 ( 0.000 4.172 0.000) 4.172 2.123 ( 0.000 8.123 0.000) 8.123 2.131 ( 0.000 4.743 0.000) 4.743 2.200 ( 0.000 5.494 0.000) 5.494 2.230 ( 0.000 9.242 0.000) 9.242 2.309 ( 0.000 7.284 0.000) 7.284 2.321 ( 0.000 5.279 0.000) 5.279 2.474 ( 0.000 -0.571 0.000) 0.571 2.599 ( 0.000 10.557 0.000) 10.557 2.716 ( 0.000 17.188 0.000) 17.188 2.826 ( 0.000 2.642 0.000) 2.642 2.981 ( 0.000 8.850 0.000) 8.850 3.036 ( 0.000 10.758 0.000) 10.758 3.113 ( 0.000 -0.176 0.000) 0.176 3.326 ( 0.000 17.224 0.000) 17.224 3.460 ( 0.000 -3.579 0.000) 3.579 3.517 ( 0.000 13.233 0.000) 13.233 3.699 ( 0.000 6.619 0.000) 6.619 4.065 ( 0.000 10.207 0.000) 10.207 4.263 ( 0.000 -6.316 0.000) 6.316 4.345 ( 0.000 0.006 0.000) 0.006 4.709 ( 0.000 -7.858 0.000) 7.858 4.806 ( 0.000 -11.327 0.000) 11.327 4.894 ( 0.000 3.215 0.000) 3.215 5.042 ( 0.000 -2.902 0.000) 2.902 5.141 ( 0.000 -4.623 0.000) 4.623 5.387 ( 0.000 2.594 0.000) 2.594 5.472 ( 0.000 1.792 0.000) 1.792 5.581 ( 0.000 0.385 0.000) 0.385 5.795 ( 0.000 5.445 0.000) 5.445 5.851 ( 0.000 3.386 0.000) 3.386 6.144 ( 0.000 4.095 0.000) 4.095 6.245 ( 0.000 -1.666 0.000) 1.666 6.278 ( 0.000 7.992 0.000) 7.992 6.283 ( 0.000 5.473 0.000) 5.473 6.463 ( 0.000 -8.418 0.000) 8.418 6.556 ( 0.000 7.172 0.000) 7.172 6.565 ( 0.000 10.324 0.000) 10.324 6.680 ( 0.000 8.406 0.000) 8.406 6.740 ( 0.000 2.622 0.000) 2.622 6.893 ( 0.000 9.088 0.000) 9.088 7.017 ( 0.000 2.185 0.000) 2.185 7.142 ( 0.000 16.768 0.000) 16.768 7.215 ( 0.000 0.095 0.000) 0.095 7.271 ( 0.000 -1.411 0.000) 1.411 7.396 ( 0.000 6.848 0.000) 6.848 7.465 ( 0.000 -0.433 0.000) 0.433 7.529 ( 0.000 6.489 0.000) 6.489 7.657 ( 0.000 0.818 0.000) 0.818 7.793 ( 0.000 7.510 0.000) 7.510 7.840 ( 0.000 0.576 0.000) 0.576 8.000 ( 0.000 -1.660 0.000) 1.660 8.119 ( 0.000 0.223 0.000) 0.223 8.187 ( 0.000 -0.037 0.000) 0.037 8.230 ( 0.000 -0.948 0.000) 0.948 8.335 ( 0.000 -2.409 0.000) 2.409 8.373 ( 0.000 -1.313 0.000) 1.313 8.414 ( 0.000 -0.043 0.000) 0.043 8.557 ( 0.000 -2.424 0.000) 2.424 8.833 ( 0.000 -4.669 0.000) 4.669 9.086 ( 0.000 -4.894 0.000) 4.894 9.286 ( 0.000 -5.715 0.000) 5.715 ======================= Grid point 16 (11/77) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -2.848 2.658 0.817) 3.980 1.040 ( 4.633 7.564 -0.557) 8.887 1.071 ( 6.511 9.338 0.574) 11.398 1.200 ( 1.331 9.374 0.265) 9.472 1.317 ( -1.079 5.646 0.278) 5.755 1.375 ( -2.937 7.999 0.024) 8.521 1.469 ( 2.350 5.610 -1.674) 6.309 1.651 ( 2.518 13.151 2.377) 13.599 1.832 ( -1.775 1.453 0.551) 2.359 1.894 ( -0.618 4.030 -1.732) 4.430 1.992 ( -0.211 3.392 -4.605) 5.723 2.123 ( -0.461 6.396 3.774) 7.441 2.159 ( 0.309 4.272 3.240) 5.370 2.178 ( -0.754 8.724 -1.136) 8.830 2.217 ( 0.058 8.948 -0.941) 8.998 2.320 ( 0.068 3.065 0.237) 3.075 2.341 ( 2.136 7.132 -0.122) 7.446 2.489 ( 1.821 0.519 -2.646) 3.254 2.608 ( 0.188 6.003 2.743) 6.603 2.748 ( 3.719 19.551 0.768) 19.916 2.865 ( 3.148 3.241 0.472) 4.543 2.907 ( -4.871 9.313 -0.319) 10.515 3.044 ( -0.462 9.056 -3.070) 9.574 3.121 ( 0.239 1.458 0.739) 1.652 3.276 ( -4.191 11.507 -1.136) 12.299 3.426 ( -2.879 6.291 -1.281) 7.036 3.540 ( 1.168 10.834 0.750) 10.922 3.734 ( 3.056 8.381 0.676) 8.946 4.072 ( 0.513 4.036 2.376) 4.711 4.246 ( -1.080 -1.704 1.095) 2.296 4.386 ( 3.038 -0.519 -1.282) 3.338 4.653 ( -3.713 -6.916 -1.081) 7.923 4.821 ( 0.365 -4.606 1.689) 4.920 4.935 ( 2.501 -2.832 -2.078) 4.312 5.064 ( 1.611 -4.449 2.577) 5.388 5.143 ( 0.265 -3.330 1.856) 3.822 5.428 ( 4.839 0.115 -1.210) 4.990 5.481 ( 1.175 1.037 -1.612) 2.247 5.578 ( 0.658 2.077 -0.443) 2.223 5.765 ( -3.131 6.873 0.432) 7.565 5.859 ( 1.040 2.407 -0.842) 2.754 6.140 ( -1.264 5.360 2.665) 6.118 6.161 ( -6.311 3.111 -6.116) 9.322 6.259 ( -1.382 1.445 1.667) 2.604 6.295 ( -0.641 5.273 3.582) 6.407 6.417 ( -2.863 0.710 0.062) 2.950 6.496 ( -3.118 2.520 -0.887) 4.106 6.644 ( 1.975 7.416 -1.613) 7.842 6.692 ( 0.867 4.779 0.730) 4.911 6.732 ( 3.186 5.350 -4.256) 7.542 6.883 ( -1.244 9.216 0.933) 9.346 6.988 ( -3.779 2.659 1.606) 4.892 7.113 ( -2.458 16.140 -0.344) 16.329 7.230 ( -2.194 -0.079 0.040) 2.196 7.283 ( 4.063 1.866 0.682) 4.523 7.392 ( -0.548 3.322 1.803) 3.820 7.459 ( 1.695 3.270 -1.741) 4.074 7.557 ( 0.726 4.412 -0.226) 4.477 7.659 ( -0.930 2.150 3.889) 4.540 7.782 ( 0.544 8.030 -5.401) 9.693 7.834 ( -0.557 0.321 -0.762) 0.997 7.940 ( -6.333 -2.325 1.096) 6.835 8.117 ( -0.340 0.699 0.626) 0.998 8.173 ( 0.258 0.373 -0.122) 0.470 8.262 ( 2.105 -1.171 -0.564) 2.474 8.306 ( -2.688 -0.680 0.972) 2.938 8.419 ( 3.490 -2.889 0.608) 4.571 8.431 ( 1.557 0.998 1.225) 2.219 8.557 ( 0.166 -2.786 -0.986) 2.960 8.833 ( -0.083 -4.781 0.197) 4.786 9.090 ( 0.294 -5.053 0.251) 5.067 9.274 ( -1.157 -6.025 -0.185) 6.138 ======================= Grid point 17 (12/77) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( -0.310 -2.904 0.153) 2.924 1.087 ( 0.993 8.189 -0.236) 8.252 1.175 ( 5.155 3.400 -3.314) 7.008 1.223 ( -1.136 3.048 3.943) 5.112 1.298 ( -0.679 4.652 0.238) 4.707 1.337 ( -0.679 10.703 -0.319) 10.729 1.524 ( 2.852 10.047 0.392) 10.451 1.685 ( 0.223 16.001 0.241) 16.004 1.814 ( -0.070 1.375 0.773) 1.579 1.856 ( -1.670 6.822 -1.774) 7.244 1.993 ( 1.917 2.136 -2.340) 3.703 2.084 ( -3.411 4.317 0.822) 5.563 2.194 ( 1.073 7.834 -0.198) 7.909 2.202 ( 1.703 5.794 4.250) 7.385 2.221 ( 0.420 9.923 -0.431) 9.941 2.314 ( -0.553 1.905 -0.597) 2.072 2.369 ( 0.940 5.823 -0.107) 5.900 2.497 ( 0.750 2.317 -2.829) 3.733 2.622 ( -0.084 0.609 1.626) 1.739 2.793 ( -3.918 4.537 0.741) 6.041 2.861 ( 5.641 18.501 2.205) 19.467 2.955 ( 3.659 15.008 -1.438) 15.514 3.025 ( 1.032 5.884 -1.703) 6.212 3.088 ( -3.909 3.065 -0.058) 4.968 3.193 ( -4.153 5.296 -0.402) 6.742 3.367 ( -2.138 12.170 -0.772) 12.381 3.555 ( 0.432 12.107 -0.113) 12.115 3.785 ( 1.677 11.013 0.371) 11.147 4.097 ( 0.499 -7.470 1.761) 7.691 4.251 ( 0.867 6.504 0.835) 6.614 4.406 ( 0.047 -0.737 -1.097) 1.322 4.604 ( -1.147 -5.712 -0.718) 5.870 4.842 ( 1.317 -1.576 1.774) 2.714 4.904 ( -3.119 -3.477 -2.352) 5.230 5.118 ( 1.501 -6.275 2.797) 7.032 5.163 ( 0.864 -1.834 0.126) 2.031 5.493 ( 0.911 -1.829 -0.534) 2.112 5.509 ( 2.697 -1.633 0.148) 3.156 5.628 ( 4.795 3.153 -1.508) 5.934 5.705 ( -2.853 9.415 -0.818) 9.872 5.884 ( 2.423 1.156 -0.003) 2.684 5.994 ( -7.932 7.452 -0.580) 10.899 6.182 ( 3.469 -2.305 2.855) 5.050 6.243 ( 0.382 -1.184 -4.790) 4.949 6.282 ( -3.495 0.157 4.992) 6.096 6.377 ( -2.897 11.926 -1.542) 12.370 6.427 ( -1.733 7.433 0.840) 7.679 6.644 ( 0.066 8.858 -1.145) 8.932 6.705 ( 0.804 -0.654 -0.639) 1.218 6.811 ( 5.687 0.919 -3.957) 6.989 6.867 ( -1.316 8.652 2.436) 9.084 6.916 ( -4.093 7.334 1.070) 8.466 7.059 ( -2.992 16.250 0.293) 16.526 7.189 ( -1.144 0.232 -0.156) 1.178 7.355 ( 1.937 1.358 0.420) 2.402 7.419 ( 2.695 6.734 0.619) 7.280 7.506 ( 3.719 3.500 0.124) 5.108 7.544 ( -1.614 2.975 1.614) 3.749 7.625 ( -4.151 3.553 -1.517) 5.671 7.777 ( 1.991 7.707 -5.273) 9.549 7.806 ( -2.491 -0.310 0.423) 2.545 7.853 ( -2.760 -1.731 3.125) 4.515 8.116 ( -0.165 0.822 0.572) 1.015 8.189 ( 0.959 -0.860 -0.417) 1.354 8.258 ( -1.467 -0.292 0.583) 1.606 8.302 ( 1.031 0.400 0.111) 1.111 8.435 ( -0.155 1.053 0.244) 1.092 8.496 ( 2.845 -3.335 0.375) 4.400 8.552 ( -0.384 -2.041 -0.508) 2.137 8.832 ( -0.071 -4.993 0.127) 4.996 9.097 ( 0.297 -4.720 0.182) 4.733 9.252 ( -0.889 -6.925 -0.134) 6.983 ======================= Grid point 20 (13/77) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.000 -1.634 0.000) 1.634 1.051 ( 0.000 4.385 0.000) 4.385 1.187 ( 0.000 6.229 0.000) 6.229 1.320 ( 0.000 -5.337 0.000) 5.337 1.440 ( 0.000 11.201 0.000) 11.201 1.533 ( 0.000 7.093 0.000) 7.093 1.682 ( 0.000 13.491 0.000) 13.491 1.792 ( 0.000 3.318 0.000) 3.318 1.932 ( 0.000 8.670 0.000) 8.670 1.934 ( 0.000 1.297 0.000) 1.297 2.127 ( 0.000 -2.466 0.000) 2.466 2.138 ( 0.000 5.427 0.000) 5.427 2.258 ( 0.000 6.845 0.000) 6.845 2.316 ( 0.000 4.487 0.000) 4.487 2.331 ( 0.000 0.584 0.000) 0.584 2.343 ( 0.000 -1.896 0.000) 1.896 2.375 ( 0.000 -0.680 0.000) 0.680 2.498 ( 0.000 3.595 0.000) 3.595 2.579 ( 0.000 -4.148 0.000) 4.148 2.817 ( 0.000 -1.263 0.000) 1.263 3.063 ( 0.000 7.334 0.000) 7.334 3.082 ( 0.000 -1.763 0.000) 1.763 3.238 ( 0.000 8.732 0.000) 8.732 3.321 ( 0.000 20.632 0.000) 20.632 3.476 ( 0.000 5.540 0.000) 5.540 3.664 ( 0.000 14.052 0.000) 14.052 3.782 ( 0.000 12.010 0.000) 12.010 3.817 ( 0.000 2.309 0.000) 2.309 4.177 ( 0.000 0.228 0.000) 0.228 4.248 ( 0.000 4.721 0.000) 4.721 4.375 ( 0.000 2.585 0.000) 2.585 4.523 ( 0.000 -13.500 0.000) 13.500 4.543 ( 0.000 -8.331 0.000) 8.331 4.969 ( 0.000 -0.470 0.000) 0.470 5.023 ( 0.000 1.527 0.000) 1.527 5.049 ( 0.000 -0.925 0.000) 0.925 5.451 ( 0.000 -1.431 0.000) 1.431 5.465 ( 0.000 5.709 0.000) 5.709 5.574 ( 0.000 0.065 0.000) 0.065 5.891 ( 0.000 3.075 0.000) 3.075 5.931 ( 0.000 3.234 0.000) 3.234 6.098 ( 0.000 -3.380 0.000) 3.380 6.154 ( 0.000 -6.933 0.000) 6.933 6.257 ( 0.000 -8.126 0.000) 8.126 6.431 ( 0.000 4.535 0.000) 4.535 6.439 ( 0.000 8.005 0.000) 8.005 6.706 ( 0.000 7.361 0.000) 7.361 6.708 ( 0.000 7.353 0.000) 7.353 6.863 ( 0.000 4.313 0.000) 4.313 6.886 ( 0.000 7.522 0.000) 7.522 6.974 ( 0.000 -0.085 0.000) 0.085 7.066 ( 0.000 3.127 0.000) 3.127 7.198 ( 0.000 -3.841 0.000) 3.841 7.306 ( 0.000 7.945 0.000) 7.945 7.336 ( 0.000 0.256 0.000) 0.256 7.534 ( 0.000 9.645 0.000) 9.645 7.581 ( 0.000 9.873 0.000) 9.873 7.663 ( 0.000 -0.115 0.000) 0.115 7.687 ( 0.000 8.096 0.000) 8.096 7.881 ( 0.000 3.232 0.000) 3.232 7.920 ( 0.000 3.869 0.000) 3.869 8.010 ( 0.000 0.422 0.000) 0.422 8.122 ( 0.000 0.309 0.000) 0.309 8.203 ( 0.000 1.706 0.000) 1.706 8.221 ( 0.000 1.549 0.000) 1.549 8.303 ( 0.000 -0.098 0.000) 0.098 8.366 ( 0.000 0.323 0.000) 0.323 8.451 ( 0.000 2.905 0.000) 2.905 8.525 ( 0.000 -0.968 0.000) 0.968 8.739 ( 0.000 -4.230 0.000) 4.230 8.999 ( 0.000 -3.451 0.000) 3.451 9.171 ( 0.000 -5.351 0.000) 5.351 ======================= Grid point 21 (14/77) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -6.154 1.358 1.090) 6.395 1.116 ( 4.023 1.365 -0.055) 4.249 1.191 ( 0.404 2.413 -3.467) 4.243 1.290 ( -2.584 -1.480 3.323) 4.462 1.441 ( -0.147 9.578 0.183) 9.581 1.546 ( 0.924 8.311 -0.254) 8.366 1.713 ( 3.207 12.338 0.066) 12.748 1.811 ( 2.027 1.801 -1.424) 3.062 1.932 ( 0.571 3.654 0.231) 3.706 1.949 ( 0.873 7.914 0.849) 8.007 2.100 ( -0.693 4.511 -2.953) 5.436 2.152 ( -0.154 0.168 1.961) 1.974 2.261 ( -0.502 4.454 1.976) 4.898 2.311 ( -0.529 4.016 0.585) 4.093 2.331 ( -0.322 -2.017 -0.819) 2.201 2.346 ( 1.030 3.492 0.192) 3.646 2.369 ( 0.342 -1.527 -2.162) 2.668 2.517 ( 1.361 2.071 -1.076) 2.702 2.572 ( -0.940 -3.148 2.956) 4.420 2.816 ( -0.399 -2.917 -0.332) 2.963 3.012 ( -4.742 -0.018 -2.805) 5.510 3.085 ( 1.662 4.447 0.489) 4.772 3.241 ( -0.820 7.872 -0.364) 7.923 3.336 ( 1.057 20.370 0.714) 20.410 3.463 ( -0.067 9.427 -2.251) 9.692 3.662 ( -1.455 12.417 3.516) 12.987 3.794 ( 0.217 11.425 4.366) 12.232 3.843 ( 2.559 0.323 -2.982) 3.943 4.107 ( -3.049 4.731 0.408) 5.643 4.333 ( 4.733 4.160 1.067) 6.391 4.408 ( 3.006 2.799 -1.455) 4.357 4.479 ( -1.914 -9.747 -0.609) 9.952 4.619 ( 5.346 -12.172 1.009) 13.333 4.908 ( -3.366 -3.494 -2.912) 5.659 4.998 ( -3.695 0.453 3.605) 5.182 5.094 ( 2.537 -0.750 1.116) 2.871 5.409 ( -0.369 -1.170 0.342) 1.273 5.500 ( 1.422 4.637 -1.990) 5.243 5.642 ( 5.790 3.088 0.421) 6.575 5.881 ( -1.056 3.377 -0.575) 3.585 5.918 ( -0.555 2.580 -0.407) 2.670 6.076 ( -2.031 -3.536 2.227) 4.646 6.178 ( 1.306 -3.740 1.310) 4.173 6.260 ( 0.704 -6.155 -6.823) 9.216 6.366 ( -8.261 4.998 3.450) 10.253 6.452 ( 2.002 4.638 -1.033) 5.156 6.565 ( -4.520 5.176 -2.744) 7.399 6.765 ( -0.501 4.318 -2.475) 5.002 6.849 ( -1.674 4.798 2.769) 5.787 6.894 ( -0.752 10.021 0.704) 10.074 6.955 ( -0.826 -0.208 0.398) 0.940 7.082 ( 1.324 3.392 0.256) 3.650 7.201 ( -1.049 -1.789 0.501) 2.133 7.327 ( 3.377 6.297 -0.568) 7.168 7.368 ( 1.714 2.776 2.646) 4.200 7.489 ( -1.978 9.185 -1.297) 9.485 7.582 ( 0.144 8.244 -3.472) 8.947 7.676 ( 0.302 1.087 1.474) 1.856 7.701 ( 0.625 7.603 0.489) 7.644 7.883 ( -0.475 4.081 1.437) 4.353 7.904 ( -1.783 0.991 -3.237) 3.827 7.956 ( -3.587 4.403 3.070) 6.455 8.148 ( 1.517 1.894 -2.583) 3.544 8.196 ( -0.170 1.931 0.411) 1.981 8.230 ( 0.528 -0.626 1.353) 1.582 8.311 ( 0.083 1.118 0.304) 1.162 8.387 ( 2.478 -0.588 0.969) 2.725 8.477 ( 2.240 3.186 -0.155) 3.898 8.519 ( -0.203 -1.323 -0.870) 1.597 8.738 ( -0.229 -4.231 0.356) 4.252 8.999 ( 0.238 -3.610 0.069) 3.618 9.156 ( -1.666 -5.424 -0.083) 5.675 ======================= Grid point 22 (15/77) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -2.557 1.597 0.232) 3.024 1.146 ( -0.297 -3.023 -2.068) 3.675 1.183 ( 0.837 1.914 0.143) 2.094 1.285 ( -0.225 1.463 2.125) 2.590 1.438 ( -0.136 8.590 0.116) 8.592 1.553 ( 0.142 9.119 -0.156) 9.122 1.776 ( 2.848 11.089 0.799) 11.476 1.824 ( 0.170 1.340 -1.930) 2.356 1.932 ( -0.663 2.097 0.282) 2.217 1.994 ( 2.709 12.056 1.350) 12.431 2.088 ( 1.041 6.090 -2.946) 6.845 2.143 ( -1.869 1.950 1.783) 3.236 2.253 ( -0.870 -0.779 1.072) 1.585 2.312 ( -0.204 2.405 0.348) 2.438 2.332 ( 0.937 -0.643 1.624) 1.982 2.358 ( -0.169 -1.215 -2.401) 2.697 2.376 ( 1.396 4.664 -0.501) 4.894 2.511 ( -0.871 -1.852 -0.419) 2.089 2.584 ( 0.414 -0.080 1.008) 1.093 2.780 ( -2.630 -3.217 -0.761) 4.224 2.964 ( 0.495 -3.593 -0.223) 3.634 3.097 ( -0.801 2.215 -0.084) 2.357 3.213 ( -0.999 9.712 -0.289) 9.768 3.357 ( 0.915 16.215 -0.046) 16.241 3.459 ( 0.200 15.898 -0.455) 15.906 3.646 ( -1.244 11.750 1.010) 11.859 3.817 ( 0.110 12.101 2.408) 12.339 3.855 ( 0.394 -3.626 -1.554) 3.965 4.098 ( 0.664 8.470 0.374) 8.505 4.397 ( 1.527 2.814 2.508) 4.067 4.428 ( 0.469 -0.268 -3.215) 3.260 4.461 ( -0.084 -3.540 -0.143) 3.544 4.711 ( 3.330 -10.175 1.499) 10.810 4.841 ( -2.530 -3.811 -1.787) 4.910 4.968 ( -0.884 -4.732 1.546) 5.056 5.121 ( 0.219 -2.015 1.004) 2.261 5.440 ( 2.617 -1.250 -0.550) 2.952 5.509 ( 0.138 4.293 -0.412) 4.315 5.727 ( 2.770 4.745 0.427) 5.511 5.855 ( -0.965 3.597 -0.659) 3.782 5.928 ( 1.679 3.100 -0.406) 3.549 6.071 ( -0.073 -1.577 1.300) 2.045 6.161 ( -3.533 2.488 2.099) 4.804 6.196 ( -3.418 -2.648 -6.110) 7.485 6.262 ( -2.062 0.258 2.659) 3.375 6.475 ( -0.067 -0.073 1.128) 1.133 6.577 ( 6.710 2.476 -4.352) 8.372 6.695 ( -6.825 2.642 1.383) 7.448 6.833 ( 0.729 6.936 0.351) 6.983 6.874 ( -2.115 6.750 0.513) 7.093 6.959 ( 0.616 2.772 -0.332) 2.859 7.111 ( 1.964 4.226 0.562) 4.694 7.160 ( -2.984 1.695 -0.455) 3.462 7.381 ( 0.955 11.509 1.457) 11.640 7.401 ( 0.768 3.233 0.912) 3.446 7.506 ( 4.527 2.709 0.163) 5.278 7.571 ( 0.781 5.454 -2.061) 5.882 7.642 ( -4.776 1.857 -1.848) 5.447 7.699 ( -0.401 8.544 0.178) 8.555 7.839 ( -1.909 0.075 0.493) 1.973 7.893 ( -0.639 7.025 3.135) 7.719 7.942 ( 0.555 6.359 -1.897) 6.659 8.148 ( 0.296 1.067 -1.699) 2.028 8.189 ( -0.795 2.368 1.134) 2.743 8.252 ( 0.849 -0.594 0.547) 1.172 8.311 ( -0.031 1.162 0.250) 1.189 8.441 ( 2.413 -1.151 0.446) 2.711 8.484 ( -0.967 1.530 -0.554) 1.893 8.533 ( 1.332 0.410 -0.179) 1.405 8.735 ( -0.137 -4.173 0.218) 4.181 9.012 ( 0.880 -3.525 0.225) 3.640 9.120 ( -1.758 -5.901 -0.210) 6.161 ======================= Grid point 25 (16/77) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 -2.337 0.000) 2.337 1.092 ( 0.000 -1.858 0.000) 1.858 1.226 ( 0.000 -1.918 0.000) 1.918 1.264 ( 0.000 1.586 0.000) 1.586 1.635 ( 0.000 7.981 0.000) 7.981 1.662 ( 0.000 5.121 0.000) 5.121 1.804 ( 0.000 2.947 0.000) 2.947 1.956 ( 0.000 0.835 0.000) 0.835 1.962 ( 0.000 9.710 0.000) 9.710 2.061 ( 0.000 2.274 0.000) 2.274 2.078 ( 0.000 -2.190 0.000) 2.190 2.214 ( 0.000 2.829 0.000) 2.829 2.261 ( 0.000 -1.577 0.000) 1.577 2.263 ( 0.000 -3.832 0.000) 3.832 2.341 ( 0.000 -3.073 0.000) 3.073 2.358 ( 0.000 -0.421 0.000) 0.421 2.457 ( 0.000 6.309 0.000) 6.309 2.501 ( 0.000 -2.497 0.000) 2.497 2.577 ( 0.000 4.096 0.000) 4.096 2.841 ( 0.000 4.466 0.000) 4.466 2.964 ( 0.000 -7.841 0.000) 7.841 3.160 ( 0.000 2.150 0.000) 2.150 3.379 ( 0.000 5.072 0.000) 5.072 3.556 ( 0.000 -0.084 0.000) 0.084 3.704 ( 0.000 14.895 0.000) 14.895 3.807 ( 0.000 0.360 0.000) 0.360 3.851 ( 0.000 4.046 0.000) 4.046 3.991 ( 0.000 7.099 0.000) 7.099 4.116 ( 0.000 -9.803 0.000) 9.803 4.277 ( 0.000 6.426 0.000) 6.426 4.371 ( 0.000 -8.244 0.000) 8.244 4.420 ( 0.000 -0.519 0.000) 0.519 4.474 ( 0.000 6.402 0.000) 6.402 4.827 ( 0.000 -8.376 0.000) 8.376 5.105 ( 0.000 5.737 0.000) 5.737 5.136 ( 0.000 4.878 0.000) 4.878 5.452 ( 0.000 1.708 0.000) 1.708 5.598 ( 0.000 4.555 0.000) 4.555 5.637 ( 0.000 7.897 0.000) 7.897 5.900 ( 0.000 -2.930 0.000) 2.930 5.922 ( 0.000 -3.093 0.000) 3.093 6.028 ( 0.000 -3.065 0.000) 3.065 6.079 ( 0.000 0.792 0.000) 0.792 6.181 ( 0.000 0.251 0.000) 0.251 6.460 ( 0.000 -1.684 0.000) 1.684 6.526 ( 0.000 -3.119 0.000) 3.119 6.790 ( 0.000 1.340 0.000) 1.340 6.818 ( 0.000 1.824 0.000) 1.824 6.925 ( 0.000 4.386 0.000) 4.386 6.942 ( 0.000 5.439 0.000) 5.439 7.028 ( 0.000 1.668 0.000) 1.668 7.132 ( 0.000 -2.284 0.000) 2.284 7.204 ( 0.000 9.153 0.000) 9.153 7.360 ( 0.000 3.078 0.000) 3.078 7.449 ( 0.000 5.881 0.000) 5.881 7.603 ( 0.000 -1.479 0.000) 1.479 7.732 ( 0.000 3.123 0.000) 3.123 7.746 ( 0.000 5.124 0.000) 5.124 7.817 ( 0.000 4.329 0.000) 4.329 7.938 ( 0.000 -0.276 0.000) 0.276 7.940 ( 0.000 2.038 0.000) 2.038 7.974 ( 0.000 -3.354 0.000) 3.354 8.165 ( 0.000 3.724 0.000) 3.724 8.249 ( 0.000 2.225 0.000) 2.225 8.297 ( 0.000 4.683 0.000) 4.683 8.322 ( 0.000 1.434 0.000) 1.434 8.386 ( 0.000 1.661 0.000) 1.661 8.477 ( 0.000 -0.916 0.000) 0.916 8.542 ( 0.000 2.921 0.000) 2.921 8.673 ( 0.000 -2.136 0.000) 2.136 8.954 ( 0.000 -0.851 0.000) 0.851 9.075 ( 0.000 -4.021 0.000) 4.021 ======================= Grid point 26 (17/77) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -1.457 0.755 0.663) 1.770 1.099 ( 0.382 -3.211 -1.571) 3.596 1.210 ( -0.563 0.911 -0.441) 1.158 1.278 ( 0.458 0.130 2.027) 2.083 1.613 ( -1.560 6.936 0.529) 7.129 1.683 ( 1.253 4.893 -0.768) 5.109 1.809 ( 1.103 2.770 -0.892) 3.112 1.954 ( -0.288 1.727 0.143) 1.757 1.974 ( 2.077 7.474 -1.945) 7.997 2.081 ( 2.021 1.360 -0.041) 2.436 2.099 ( 1.544 -1.347 1.997) 2.861 2.202 ( -1.108 2.541 -0.542) 2.825 2.236 ( -0.725 -1.299 -1.480) 2.098 2.277 ( -0.636 -2.011 1.776) 2.757 2.327 ( -1.117 -2.697 -0.148) 2.923 2.370 ( 1.396 -1.209 -0.676) 1.966 2.463 ( 0.415 4.842 -0.664) 4.905 2.501 ( -0.132 -0.363 1.694) 1.737 2.584 ( 0.464 2.604 0.751) 2.750 2.804 ( -4.199 2.411 0.382) 4.857 2.919 ( -3.205 -6.120 -2.708) 7.420 3.158 ( -0.491 1.674 1.289) 2.169 3.377 ( -0.610 4.986 0.071) 5.024 3.540 ( -1.778 -0.839 -1.946) 2.767 3.707 ( -0.276 12.311 3.112) 12.701 3.799 ( 0.172 0.776 -0.373) 0.878 3.863 ( -0.439 6.156 2.561) 6.682 4.000 ( 0.726 5.689 0.431) 5.751 4.140 ( 2.467 -8.985 -0.800) 9.352 4.266 ( -0.987 1.813 -2.229) 3.038 4.407 ( 5.120 -5.408 -0.771) 7.488 4.446 ( 1.809 2.207 2.049) 3.513 4.512 ( 3.592 4.614 -0.226) 5.852 4.793 ( -2.147 -5.782 -0.344) 6.177 5.058 ( -7.158 3.791 3.730) 8.917 5.114 ( -1.560 1.830 0.564) 2.470 5.454 ( 3.097 5.656 -1.978) 6.745 5.643 ( 0.817 8.041 0.878) 8.130 5.708 ( 7.032 4.209 -0.887) 8.243 5.891 ( -0.377 -2.250 -2.367) 3.288 5.924 ( 2.310 -2.262 -0.086) 3.234 6.031 ( -0.216 -0.549 -2.939) 2.998 6.090 ( 0.755 -2.944 3.728) 4.811 6.217 ( 3.422 0.834 -1.950) 4.026 6.374 ( -7.882 -4.020 1.689) 9.008 6.532 ( 0.166 1.868 -2.567) 3.179 6.660 ( -9.210 3.533 -1.969) 10.059 6.748 ( -6.787 -6.466 5.074) 10.659 6.918 ( 2.230 6.138 -5.362) 8.450 7.005 ( 2.459 4.059 -1.284) 4.917 7.067 ( 1.003 4.107 3.813) 5.693 7.098 ( -1.464 1.920 0.726) 2.521 7.250 ( 3.507 5.871 -1.467) 6.994 7.410 ( 3.843 4.206 3.430) 6.650 7.466 ( 2.031 5.251 -0.655) 5.668 7.576 ( -1.910 -0.342 -1.550) 2.484 7.713 ( -1.855 3.971 0.759) 4.448 7.761 ( 0.578 4.585 -1.040) 4.737 7.809 ( -0.386 1.306 -1.489) 2.018 7.874 ( -3.104 -0.915 -2.258) 3.946 7.972 ( 2.113 3.272 3.403) 5.172 8.018 ( 1.156 0.454 3.200) 3.432 8.174 ( 0.959 2.178 -1.956) 3.080 8.238 ( -0.654 1.812 -0.515) 1.994 8.284 ( -0.959 4.517 1.455) 4.842 8.347 ( 1.237 2.008 -0.367) 2.387 8.389 ( 1.086 0.863 0.064) 1.388 8.487 ( 0.617 -1.600 -0.492) 1.784 8.550 ( 1.223 3.426 -0.279) 3.648 8.674 ( -0.014 -1.916 0.356) 1.949 8.950 ( -0.220 -1.159 0.033) 1.180 9.059 ( -1.765 -4.002 -0.008) 4.373 ======================= Grid point 27 (18/77) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -0.882 4.878 0.099) 4.958 1.082 ( -0.752 -2.869 -1.055) 3.148 1.212 ( 0.333 1.178 0.131) 1.231 1.294 ( 0.331 -0.177 1.035) 1.100 1.597 ( -0.440 6.579 0.241) 6.598 1.689 ( 0.071 4.129 -0.379) 4.147 1.832 ( 1.316 2.526 -0.513) 2.894 1.946 ( -0.597 2.076 0.577) 2.236 2.008 ( 1.838 6.165 -1.072) 6.522 2.127 ( 3.082 -2.454 -0.781) 4.016 2.139 ( 1.673 -0.480 1.070) 2.043 2.176 ( -1.435 -0.063 -0.238) 1.456 2.224 ( -0.478 2.259 0.828) 2.454 2.245 ( -2.764 1.296 -0.196) 3.059 2.320 ( 0.185 -2.826 -0.266) 2.845 2.392 ( 1.119 -2.780 -0.727) 3.084 2.459 ( -0.731 1.876 1.242) 2.366 2.522 ( 1.742 5.709 0.103) 5.969 2.592 ( 0.122 0.094 0.004) 0.154 2.713 ( -4.680 -2.364 -0.114) 5.244 2.871 ( -0.804 -3.043 -0.837) 3.257 3.155 ( -0.440 1.502 0.852) 1.782 3.361 ( -0.649 4.892 -0.044) 4.935 3.485 ( -2.153 -1.934 -1.576) 3.295 3.719 ( -0.021 7.918 1.791) 8.118 3.802 ( -0.407 5.516 0.634) 5.567 3.874 ( 1.094 3.884 0.298) 4.046 4.012 ( 0.162 4.843 0.563) 4.878 4.179 ( 2.237 -7.881 -0.706) 8.222 4.224 ( -2.317 -2.590 -1.328) 3.720 4.446 ( 0.610 1.773 -0.141) 1.880 4.549 ( 3.956 2.655 0.524) 4.793 4.578 ( 4.353 1.516 1.119) 4.743 4.771 ( -0.605 -2.505 -0.155) 2.582 4.954 ( -4.470 2.032 0.963) 5.004 5.084 ( -1.607 -1.752 0.736) 2.489 5.496 ( 1.701 6.347 -1.078) 6.659 5.662 ( 0.445 9.897 -0.377) 9.915 5.789 ( 2.340 1.296 2.429) 3.614 5.867 ( -0.691 -0.944 -2.639) 2.886 5.999 ( 4.330 2.837 -1.759) 5.467 6.021 ( 1.143 -2.438 -0.812) 2.813 6.087 ( -3.393 -4.024 1.088) 5.375 6.217 ( -2.615 -3.046 1.866) 4.427 6.307 ( 0.556 4.838 -1.215) 5.019 6.503 ( 0.066 1.807 -3.942) 4.337 6.546 ( -4.000 -0.936 3.038) 5.109 6.670 ( -2.942 -7.626 1.134) 8.252 6.956 ( 4.159 6.307 -3.452) 8.306 7.010 ( -1.186 2.218 0.035) 2.515 7.063 ( -2.180 9.531 2.157) 10.012 7.099 ( 0.309 1.146 0.560) 1.312 7.289 ( 1.412 6.343 -0.903) 6.561 7.479 ( 1.041 4.671 1.971) 5.176 7.529 ( 4.782 3.670 -0.392) 6.041 7.549 ( 0.031 0.758 1.918) 2.062 7.648 ( -4.743 4.176 -3.660) 7.303 7.748 ( -0.851 4.115 -0.124) 4.204 7.809 ( 0.259 -0.883 2.295) 2.473 7.832 ( -0.666 1.423 -2.775) 3.189 8.025 ( 0.796 4.713 4.083) 6.286 8.040 ( 1.048 2.945 -0.824) 3.232 8.159 ( -1.064 1.495 -1.483) 2.360 8.239 ( 0.597 -0.291 -0.175) 0.687 8.282 ( -0.139 5.088 1.145) 5.217 8.345 ( -0.404 1.855 -0.538) 1.973 8.425 ( 1.807 -0.276 0.137) 1.833 8.484 ( -0.441 -1.052 -0.404) 1.211 8.577 ( 1.232 3.015 -0.126) 3.260 8.675 ( 0.020 -1.567 0.218) 1.582 8.957 ( 0.981 -1.825 0.291) 2.092 9.018 ( -2.284 -3.962 -0.250) 4.580 ======================= Grid point 30 (19/77) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 1.624 0.000) 1.624 1.002 ( 0.000 -5.002 0.000) 5.002 1.236 ( 0.000 1.444 0.000) 1.444 1.264 ( 0.000 -1.102 0.000) 1.102 1.731 ( 0.000 1.639 0.000) 1.639 1.733 ( 0.000 1.622 0.000) 1.622 1.903 ( 0.000 5.741 0.000) 5.741 1.966 ( 0.000 -0.341 0.000) 0.341 2.035 ( 0.000 -1.716 0.000) 1.716 2.038 ( 0.000 -1.935 0.000) 1.935 2.117 ( 0.000 5.747 0.000) 5.747 2.223 ( 0.000 -2.734 0.000) 2.734 2.252 ( 0.000 0.701 0.000) 0.701 2.255 ( 0.000 -2.350 0.000) 2.350 2.282 ( 0.000 2.488 0.000) 2.488 2.329 ( 0.000 -1.978 0.000) 1.978 2.480 ( 0.000 0.046 0.000) 0.046 2.498 ( 0.000 -0.905 0.000) 0.905 2.674 ( 0.000 5.260 0.000) 5.260 2.802 ( 0.000 -7.437 0.000) 7.437 2.985 ( 0.000 8.367 0.000) 8.367 3.131 ( 0.000 -4.947 0.000) 4.947 3.456 ( 0.000 2.839 0.000) 2.839 3.509 ( 0.000 -2.764 0.000) 2.764 3.827 ( 0.000 1.242 0.000) 1.242 3.846 ( 0.000 -1.776 0.000) 1.776 3.928 ( 0.000 5.953 0.000) 5.953 3.986 ( 0.000 -1.330 0.000) 1.330 4.120 ( 0.000 2.857 0.000) 2.857 4.198 ( 0.000 -6.313 0.000) 6.313 4.391 ( 0.000 3.053 0.000) 3.053 4.416 ( 0.000 -0.055 0.000) 0.055 4.594 ( 0.000 5.035 0.000) 5.035 4.690 ( 0.000 -5.112 0.000) 5.112 5.203 ( 0.000 2.692 0.000) 2.692 5.207 ( 0.000 1.905 0.000) 1.905 5.533 ( 0.000 6.446 0.000) 6.446 5.662 ( 0.000 -1.932 0.000) 1.932 5.720 ( 0.000 1.282 0.000) 1.282 5.805 ( 0.000 -5.097 0.000) 5.097 5.972 ( 0.000 8.428 0.000) 8.428 6.023 ( 0.000 0.886 0.000) 0.886 6.100 ( 0.000 2.832 0.000) 2.832 6.233 ( 0.000 3.130 0.000) 3.130 6.326 ( 0.000 -11.985 0.000) 11.985 6.368 ( 0.000 -6.288 0.000) 6.288 6.840 ( 0.000 1.856 0.000) 1.856 6.843 ( 0.000 1.088 0.000) 1.088 7.007 ( 0.000 2.704 0.000) 2.704 7.026 ( 0.000 0.946 0.000) 0.946 7.069 ( 0.000 2.940 0.000) 2.940 7.106 ( 0.000 -0.924 0.000) 0.924 7.365 ( 0.000 6.034 0.000) 6.034 7.425 ( 0.000 1.313 0.000) 1.313 7.577 ( 0.000 6.900 0.000) 6.900 7.581 ( 0.000 0.951 0.000) 0.951 7.682 ( 0.000 -5.301 0.000) 5.301 7.738 ( 0.000 -5.737 0.000) 5.737 7.889 ( 0.000 2.696 0.000) 2.696 7.922 ( 0.000 -0.976 0.000) 0.976 7.957 ( 0.000 1.180 0.000) 1.180 7.966 ( 0.000 0.294 0.000) 0.294 8.235 ( 0.000 2.708 0.000) 2.708 8.269 ( 0.000 -0.470 0.000) 0.470 8.353 ( 0.000 1.535 0.000) 1.535 8.364 ( 0.000 1.212 0.000) 1.212 8.424 ( 0.000 1.658 0.000) 1.658 8.451 ( 0.000 -1.269 0.000) 1.269 8.603 ( 0.000 2.590 0.000) 2.590 8.642 ( 0.000 -1.369 0.000) 1.369 8.963 ( 0.000 1.526 0.000) 1.526 9.007 ( 0.000 -2.720 0.000) 2.720 ======================= Grid point 31 (20/77) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( 2.008 2.049 0.272) 2.881 1.016 ( 1.216 -4.077 0.157) 4.257 1.238 ( 0.278 1.621 -0.272) 1.667 1.269 ( 0.475 -1.183 0.089) 1.278 1.712 ( -1.284 2.774 0.106) 3.058 1.735 ( -0.161 0.416 -0.580) 0.731 1.906 ( 1.157 5.414 -1.644) 5.775 1.963 ( 0.447 -0.503 -1.120) 1.306 2.031 ( -0.372 -0.694 0.984) 1.260 2.059 ( 0.697 -2.256 1.773) 2.953 2.119 ( 0.829 4.602 -0.673) 4.724 2.220 ( -0.708 -3.847 -0.383) 3.930 2.261 ( 0.118 0.608 2.060) 2.151 2.266 ( 1.569 1.397 -0.750) 2.231 2.273 ( -0.904 0.725 0.112) 1.164 2.324 ( -0.045 -2.365 -1.453) 2.776 2.475 ( -0.848 0.231 1.446) 1.692 2.502 ( 0.370 -1.714 0.451) 1.811 2.659 ( -1.255 4.216 -0.700) 4.454 2.761 ( -3.781 -5.784 -1.623) 7.098 2.961 ( -2.311 8.451 0.658) 8.786 3.117 ( -1.544 -5.604 1.532) 6.011 3.449 ( -0.972 2.434 -0.290) 2.637 3.491 ( -1.893 -2.224 -1.098) 3.120 3.786 ( -1.773 1.470 0.565) 2.372 3.865 ( -1.627 -4.649 1.582) 5.173 3.923 ( 1.076 4.547 0.221) 4.678 3.978 ( -1.115 -0.388 0.313) 1.222 4.131 ( 1.195 2.748 -1.067) 3.181 4.197 ( -0.167 -4.518 -1.229) 4.685 4.433 ( 4.837 3.454 -0.042) 5.944 4.474 ( 5.143 -0.231 1.295) 5.309 4.612 ( 1.664 4.870 0.913) 5.227 4.699 ( 0.990 -3.862 0.994) 4.109 5.122 ( -7.614 2.132 2.906) 8.424 5.140 ( -6.324 0.334 1.667) 6.549 5.614 ( 7.395 8.995 -4.737) 12.571 5.744 ( 3.396 3.087 0.302) 4.599 5.773 ( 6.878 -4.254 -4.774) 9.391 5.833 ( 5.834 -4.731 -2.615) 7.953 5.914 ( -4.275 7.855 3.862) 9.741 6.037 ( -1.612 -3.056 4.222) 5.455 6.076 ( -1.260 4.464 -1.622) 4.914 6.209 ( -5.231 -6.242 0.625) 8.168 6.298 ( 3.273 2.567 -1.989) 4.611 6.436 ( 4.768 -9.162 -3.930) 11.050 6.699 ( -11.953 1.399 3.625) 12.569 6.710 ( -11.169 0.883 2.415) 11.461 7.020 ( 1.453 2.513 -3.875) 4.842 7.040 ( 0.584 -0.110 -2.518) 2.587 7.125 ( 4.308 4.200 -0.026) 6.017 7.169 ( 5.040 0.977 -0.672) 5.178 7.376 ( 0.516 6.045 1.824) 6.335 7.473 ( 2.841 -1.602 3.054) 4.468 7.560 ( -0.907 4.397 4.561) 6.399 7.601 ( 1.759 6.411 -5.298) 8.501 7.683 ( 0.227 -5.906 4.035) 7.156 7.744 ( 0.872 -5.617 -3.078) 6.464 7.839 ( -3.694 2.758 -2.583) 5.284 7.877 ( -1.966 -0.461 -3.050) 3.658 8.013 ( 3.051 0.858 2.996) 4.361 8.016 ( 2.889 0.181 3.553) 4.582 8.228 ( -0.660 2.292 -0.475) 2.432 8.256 ( -1.251 -0.281 -0.470) 1.366 8.358 ( -0.049 2.317 0.832) 2.463 8.375 ( 1.092 0.545 0.071) 1.222 8.420 ( 0.041 1.700 -0.689) 1.835 8.453 ( 0.392 -1.654 -0.510) 1.774 8.612 ( 1.058 2.501 -0.073) 2.717 8.648 ( 0.599 -1.116 0.146) 1.275 8.952 ( -1.007 1.242 0.021) 1.599 8.992 ( -1.568 -2.606 -0.004) 3.042 ======================= Grid point 32 (21/77) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 1.217 2.732 -0.011) 2.991 1.032 ( 0.292 -2.215 0.087) 2.236 1.241 ( 0.128 1.798 -0.113) 1.807 1.278 ( 0.387 -1.510 -0.001) 1.559 1.698 ( -0.315 3.204 0.117) 3.222 1.729 ( -0.149 0.083 -0.318) 0.361 1.928 ( 1.702 5.331 -1.247) 5.733 1.966 ( -0.383 0.366 0.610) 0.808 2.031 ( 0.101 -1.620 0.373) 1.666 2.069 ( -0.036 -1.419 0.594) 1.539 2.148 ( 2.601 1.763 -0.813) 3.246 2.191 ( -2.268 -0.772 0.037) 2.396 2.255 ( -0.974 -1.236 0.860) 1.794 2.269 ( -0.086 0.067 0.534) 0.545 2.291 ( 1.093 1.668 -0.337) 2.023 2.320 ( 0.402 -2.291 -1.067) 2.559 2.469 ( -0.539 0.395 1.267) 1.432 2.513 ( 0.408 -3.435 0.415) 3.484 2.639 ( 0.228 2.018 -0.748) 2.164 2.678 ( -3.804 -1.835 -1.325) 4.426 2.933 ( -0.958 8.393 0.742) 8.480 3.104 ( -0.670 -6.525 1.186) 6.666 3.423 ( -1.151 1.503 -0.280) 1.914 3.442 ( -2.064 -1.047 -1.029) 2.533 3.777 ( 0.030 0.832 0.389) 0.919 3.841 ( -1.039 -4.242 0.456) 4.391 3.928 ( -0.699 3.352 0.290) 3.436 3.982 ( 1.348 -2.242 -0.384) 2.644 4.146 ( 1.004 1.546 -0.558) 1.926 4.172 ( -1.748 -1.517 -0.499) 2.367 4.518 ( 3.115 3.997 0.489) 5.091 4.572 ( 3.540 -0.910 0.879) 3.759 4.662 ( 2.990 4.645 1.523) 5.730 4.731 ( 1.403 -2.099 1.116) 2.760 5.005 ( -5.079 2.440 0.054) 5.635 5.048 ( -3.751 -1.818 0.126) 4.170 5.668 ( 1.214 9.530 -1.911) 9.796 5.795 ( 0.278 -0.871 -1.896) 2.105 5.806 ( 1.868 1.011 -0.193) 2.132 5.890 ( 0.261 -4.526 -0.732) 4.592 5.932 ( 2.163 5.641 -0.229) 6.046 6.049 ( 1.435 -1.634 2.513) 3.323 6.060 ( 0.526 2.510 -0.971) 2.742 6.133 ( -3.027 -4.372 1.264) 5.466 6.360 ( 3.938 1.593 -2.606) 4.983 6.463 ( -0.562 -9.021 -2.603) 9.406 6.545 ( -5.102 2.582 1.084) 5.820 6.572 ( -4.564 0.294 3.498) 5.758 7.024 ( 0.608 1.232 -1.770) 2.240 7.033 ( -0.079 0.175 -0.832) 0.853 7.187 ( 2.578 5.583 -0.947) 6.222 7.225 ( 0.986 3.666 0.857) 3.892 7.391 ( 0.336 4.585 0.742) 4.657 7.495 ( -0.877 -4.431 1.228) 4.681 7.588 ( 0.684 5.985 0.975) 6.102 7.632 ( 3.739 5.862 0.830) 7.002 7.710 ( -0.099 -4.560 1.078) 4.687 7.748 ( 1.188 -4.324 -0.618) 4.527 7.756 ( -3.551 3.752 -1.984) 5.534 7.832 ( -1.420 -2.286 -2.116) 3.423 8.068 ( 1.313 0.752 1.431) 2.083 8.074 ( 1.744 0.565 1.896) 2.637 8.208 ( -0.987 2.217 -0.613) 2.503 8.235 ( -0.536 -0.485 -0.395) 0.823 8.362 ( 0.134 2.343 0.971) 2.539 8.377 ( -0.665 0.813 -0.464) 1.148 8.432 ( 1.096 0.895 -0.212) 1.431 8.457 ( 0.203 -1.422 -0.504) 1.522 8.633 ( 0.931 2.178 -0.039) 2.369 8.660 ( 0.431 -0.589 0.065) 0.732 8.939 ( -0.145 0.080 0.156) 0.228 8.959 ( -1.746 -1.884 -0.133) 2.572 ======================= Grid point 65 (22/77) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 0.450 0.000 12.808) 12.816 0.430 ( -4.689 0.000 19.240) 19.803 0.595 ( 2.064 0.000 22.481) 22.576 0.913 ( 2.367 0.000 -1.728) 2.930 0.922 ( 3.447 0.000 -6.076) 6.986 1.095 ( 3.486 0.000 3.062) 4.640 1.125 ( -1.709 0.000 2.870) 3.340 1.183 ( -5.467 0.000 -6.865) 8.776 1.395 ( -1.478 0.000 1.646) 2.212 1.434 ( -3.115 0.000 3.817) 4.926 1.558 ( -8.332 0.000 9.179) 12.397 1.617 ( -0.065 0.000 -0.917) 0.919 1.642 ( 0.398 0.000 -0.529) 0.662 1.691 ( 1.374 0.000 -0.374) 1.424 1.792 ( 2.110 0.000 -6.157) 6.508 2.010 ( 0.813 0.000 1.644) 1.834 2.016 ( -0.070 0.000 0.366) 0.372 2.061 ( 0.619 0.000 4.997) 5.035 2.133 ( -7.012 0.000 -7.847) 10.523 2.178 ( -0.589 0.000 2.671) 2.735 2.353 ( 0.007 0.000 -0.269) 0.269 2.686 ( 1.426 0.000 -2.920) 3.250 2.760 ( -7.885 0.000 -11.423) 13.880 2.870 ( 4.195 0.000 -10.587) 11.388 3.298 ( 4.324 0.000 2.196) 4.849 3.333 ( -1.626 0.000 1.349) 2.113 3.457 ( -0.978 0.000 -1.895) 2.133 3.782 ( -1.604 0.000 0.474) 1.673 4.047 ( -0.478 0.000 8.290) 8.303 4.451 ( 2.853 0.000 -0.598) 2.915 4.544 ( -4.557 0.000 2.419) 5.160 4.545 ( 3.733 0.000 -0.703) 3.799 4.569 ( 2.216 0.000 0.991) 2.427 4.862 ( 2.522 0.000 -2.521) 3.566 4.991 ( -2.020 0.000 0.952) 2.233 5.097 ( 0.213 0.000 -3.835) 3.840 5.316 ( -4.908 0.000 2.727) 5.614 5.363 ( -2.279 0.000 3.344) 4.047 5.544 ( 0.312 0.000 -1.886) 1.911 5.554 ( 2.077 0.000 -2.358) 3.143 5.620 ( 0.776 0.000 3.778) 3.857 5.632 ( 2.756 0.000 -3.158) 4.191 5.807 ( -0.994 0.000 6.137) 6.217 5.820 ( -2.505 0.000 3.132) 4.011 6.054 ( 0.911 0.000 -1.005) 1.356 6.263 ( 1.114 0.000 0.353) 1.169 6.331 ( -0.145 0.000 1.061) 1.070 6.544 ( 0.534 0.000 -4.123) 4.157 6.569 ( 3.988 0.000 -6.686) 7.785 6.702 ( 2.840 0.000 -10.345) 10.727 6.795 ( 2.809 0.000 0.689) 2.892 6.869 ( -4.392 0.000 3.645) 5.708 6.990 ( 0.260 0.000 -0.826) 0.866 7.002 ( 0.668 0.000 0.799) 1.041 7.063 ( -10.110 0.000 3.932) 10.848 7.106 ( 0.494 0.000 -1.926) 1.989 7.315 ( -0.049 0.000 2.891) 2.891 7.353 ( -4.083 0.000 4.133) 5.810 7.569 ( -9.113 0.000 -2.557) 9.465 7.704 ( 0.621 0.000 -0.441) 0.761 7.884 ( 12.253 0.000 3.917) 12.864 8.019 ( 1.332 0.000 0.803) 1.555 8.153 ( 7.119 0.000 0.681) 7.152 8.224 ( -0.687 0.000 -0.144) 0.702 8.259 ( -1.171 0.000 -1.173) 1.658 8.339 ( -1.670 0.000 0.016) 1.670 8.543 ( -2.698 0.000 -2.446) 3.642 8.623 ( 2.199 0.000 -0.101) 2.201 8.859 ( -3.702 0.000 0.466) 3.731 9.004 ( 0.113 0.000 0.348) 0.366 9.336 ( 6.048 0.000 0.551) 6.073 9.497 ( -0.334 0.000 -0.574) 0.665 ======================= Grid point 66 (23/77) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 9.984 0.000 7.559) 12.523 0.527 ( 4.866 0.000 13.628) 14.470 0.884 ( 8.834 0.000 0.814) 8.871 0.958 ( 3.484 0.000 -4.514) 5.702 1.029 ( 2.455 0.000 -1.629) 2.947 1.082 ( -4.781 0.000 2.641) 5.462 1.092 ( 4.693 0.000 0.192) 4.697 1.229 ( 9.229 0.000 2.636) 9.598 1.373 ( -1.707 0.000 1.870) 2.532 1.398 ( 4.410 0.000 10.672) 11.547 1.484 ( -6.928 0.000 9.036) 11.387 1.617 ( 0.432 0.000 -0.834) 0.939 1.650 ( 0.778 0.000 -0.536) 0.944 1.716 ( 2.530 0.000 0.112) 2.532 1.788 ( 0.863 0.000 -6.171) 6.231 1.998 ( -1.881 0.000 -2.788) 3.363 2.015 ( -0.210 0.000 0.175) 0.274 2.086 ( 0.730 0.000 4.590) 4.647 2.130 ( 2.912 0.000 1.468) 3.261 2.181 ( -0.605 0.000 2.596) 2.665 2.352 ( 0.070 0.000 -0.242) 0.252 2.620 ( -6.435 0.000 -9.153) 11.189 2.744 ( 4.120 0.000 -3.185) 5.207 2.894 ( 7.309 0.000 -21.705) 22.903 3.279 ( -3.176 0.000 -0.180) 3.181 3.413 ( -1.619 0.000 -0.249) 1.638 3.451 ( 6.415 0.000 1.465) 6.580 3.712 ( -4.394 0.000 2.675) 5.144 4.146 ( 5.535 0.000 5.138) 7.552 4.465 ( -3.961 0.000 0.470) 3.989 4.501 ( 2.050 0.000 0.408) 2.090 4.532 ( -3.573 0.000 -0.638) 3.629 4.635 ( 2.558 0.000 -5.502) 6.067 4.906 ( 2.938 0.000 -1.395) 3.252 4.909 ( -7.088 0.000 2.680) 7.578 5.077 ( -3.247 0.000 -1.553) 3.599 5.263 ( 3.312 0.000 3.327) 4.695 5.342 ( -1.532 0.000 2.846) 3.232 5.527 ( -5.294 0.000 -0.019) 5.294 5.540 ( 0.365 0.000 -1.639) 1.679 5.653 ( 0.819 0.000 1.392) 1.615 5.678 ( 3.464 0.000 -3.356) 4.823 5.819 ( 0.943 0.000 2.956) 3.103 5.840 ( 1.254 0.000 3.338) 3.566 6.045 ( -1.440 0.000 -0.318) 1.474 6.280 ( -1.282 0.000 -0.322) 1.322 6.335 ( -0.075 0.000 0.922) 0.925 6.515 ( -8.459 0.000 1.607) 8.611 6.542 ( 1.551 0.000 -3.916) 4.212 6.593 ( -0.251 0.000 -9.140) 9.144 6.782 ( -3.277 0.000 -0.571) 3.326 6.851 ( -4.483 0.000 -2.445) 5.106 6.865 ( 0.713 0.000 4.930) 4.981 7.015 ( -7.459 0.000 9.077) 11.749 7.020 ( 0.948 0.000 0.617) 1.131 7.100 ( -0.073 0.000 -2.032) 2.033 7.175 ( -6.299 0.000 4.375) 7.670 7.372 ( 2.233 0.000 -2.968) 3.714 7.594 ( 4.434 0.000 7.524) 8.734 7.704 ( -0.570 0.000 0.922) 1.084 7.999 ( 1.308 0.000 -0.874) 1.573 8.081 ( 4.199 0.000 0.441) 4.222 8.200 ( -1.922 0.000 1.321) 2.332 8.245 ( 0.207 0.000 -3.711) 3.717 8.257 ( 0.366 0.000 -1.554) 1.596 8.300 ( -2.251 0.000 0.327) 2.275 8.488 ( 0.810 0.000 -2.236) 2.379 8.662 ( 2.399 0.000 -1.025) 2.609 8.830 ( -0.866 0.000 0.285) 0.912 9.035 ( 1.910 0.000 0.929) 2.124 9.362 ( -1.923 0.000 -2.722) 3.333 9.549 ( 4.168 0.000 -1.731) 4.514 ======================= Grid point 67 (24/77) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.666 ( 9.115 0.000 4.981) 10.387 0.682 ( 5.643 0.000 7.073) 9.048 0.934 ( 4.166 0.000 -5.754) 7.104 0.938 ( -8.171 0.000 3.992) 9.094 1.031 ( 1.269 0.000 -2.932) 3.194 1.039 ( 2.730 0.000 -3.243) 4.239 1.187 ( -2.195 0.000 7.080) 7.412 1.351 ( -0.384 0.000 6.612) 6.623 1.364 ( -0.432 0.000 2.791) 2.824 1.400 ( -0.004 0.000 1.103) 1.103 1.618 ( 5.562 0.000 4.639) 7.243 1.621 ( 0.523 0.000 -1.022) 1.148 1.662 ( 0.631 0.000 0.134) 0.645 1.767 ( 0.692 0.000 -6.913) 6.947 1.787 ( 2.626 0.000 0.737) 2.727 1.954 ( 0.942 0.000 -4.346) 4.447 2.012 ( -0.098 0.000 -0.182) 0.207 2.111 ( -1.540 0.000 7.625) 7.779 2.182 ( -0.762 0.000 2.511) 2.624 2.232 ( 5.843 0.000 4.017) 7.090 2.353 ( 0.120 0.000 -0.180) 0.217 2.375 ( -12.515 0.000 -4.267) 13.222 2.826 ( 8.573 0.000 -10.428) 13.500 2.947 ( 10.139 0.000 -15.025) 18.126 3.155 ( -8.876 0.000 1.321) 8.973 3.394 ( -0.742 0.000 -4.924) 4.980 3.549 ( 2.885 0.000 0.310) 2.902 3.712 ( 2.035 0.000 7.384) 7.660 4.236 ( 0.061 0.000 3.725) 3.725 4.408 ( -2.581 0.000 1.152) 2.826 4.443 ( -3.193 0.000 -2.358) 3.970 4.540 ( 2.471 0.000 -1.151) 2.726 4.598 ( -2.454 0.000 -2.726) 3.668 4.850 ( -0.528 0.000 2.872) 2.920 4.932 ( -0.003 0.000 -0.188) 0.188 5.036 ( -0.299 0.000 2.222) 2.242 5.343 ( 0.063 0.000 3.208) 3.209 5.365 ( 0.533 0.000 -7.211) 7.231 5.456 ( 2.273 0.000 7.515) 7.852 5.538 ( 0.545 0.000 -3.090) 3.137 5.654 ( -1.263 0.000 3.949) 4.146 5.701 ( 0.341 0.000 -1.340) 1.382 5.856 ( -0.549 0.000 -0.394) 0.676 5.879 ( 4.194 0.000 0.818) 4.273 6.004 ( -3.265 0.000 0.913) 3.390 6.156 ( -9.208 0.000 0.541) 9.224 6.336 ( -0.203 0.000 0.630) 0.662 6.520 ( 6.336 0.000 -3.169) 7.085 6.548 ( -2.637 0.000 -6.684) 7.185 6.556 ( 2.044 0.000 -4.026) 4.515 6.729 ( -2.404 0.000 0.415) 2.440 6.770 ( -1.682 0.000 -3.741) 4.102 6.894 ( -0.079 0.000 4.631) 4.631 6.956 ( -2.473 0.000 6.598) 7.046 7.038 ( 0.512 0.000 0.229) 0.561 7.087 ( 0.022 0.000 -2.200) 2.200 7.121 ( -2.832 0.000 5.926) 6.568 7.425 ( 3.929 0.000 -2.512) 4.663 7.654 ( -0.389 0.000 1.224) 1.284 7.710 ( -1.206 0.000 7.102) 7.204 8.000 ( -0.456 0.000 -0.249) 0.519 8.081 ( -4.093 0.000 -1.653) 4.414 8.155 ( -3.310 0.000 -3.376) 4.728 8.233 ( 1.350 0.000 -0.116) 1.355 8.242 ( 1.052 0.000 1.540) 1.865 8.314 ( 1.501 0.000 2.786) 3.165 8.508 ( 1.933 0.000 -4.531) 4.926 8.702 ( 2.257 0.000 -0.631) 2.344 8.813 ( -0.607 0.000 -0.805) 1.008 9.058 ( 0.082 0.000 0.909) 0.912 9.324 ( -0.608 0.000 -1.066) 1.227 9.578 ( 0.398 0.000 -1.302) 1.362 ======================= Grid point 68 (25/77) ======================= q-point: (-0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -11.279 0.000 9.780) 14.929 0.779 ( -2.700 0.000 4.708) 5.427 0.847 ( 1.867 0.000 -1.189) 2.214 0.879 ( -9.387 0.000 -7.762) 12.181 1.019 ( 1.311 0.000 2.094) 2.471 1.086 ( 2.845 0.000 -0.771) 2.947 1.197 ( -0.638 0.000 3.351) 3.411 1.324 ( -6.544 0.000 4.235) 7.795 1.381 ( 0.428 0.000 3.187) 3.216 1.424 ( -1.948 0.000 0.054) 1.949 1.549 ( -5.477 0.000 8.369) 10.002 1.624 ( 0.442 0.000 -1.232) 1.309 1.663 ( -0.928 0.000 0.550) 1.078 1.758 ( 2.543 0.000 -7.400) 7.824 1.856 ( -2.550 0.000 1.339) 2.880 1.932 ( -0.374 0.000 -2.336) 2.366 2.011 ( 0.132 0.000 -0.203) 0.242 2.030 ( -7.025 0.000 0.781) 7.069 2.175 ( 1.709 0.000 4.852) 5.144 2.179 ( -0.872 0.000 2.515) 2.662 2.354 ( 0.087 0.000 -0.170) 0.191 2.506 ( 12.916 0.000 -3.140) 13.292 2.915 ( 10.022 0.000 -22.073) 24.242 2.992 ( -6.351 0.000 2.758) 6.924 3.167 ( 13.408 0.000 -0.308) 13.411 3.317 ( -2.828 0.000 -7.632) 8.139 3.578 ( 0.119 0.000 0.927) 0.935 3.791 ( 1.061 0.000 4.729) 4.846 4.155 ( -8.052 0.000 4.754) 9.350 4.388 ( -0.176 0.000 0.853) 0.871 4.456 ( 3.594 0.000 -2.233) 4.231 4.575 ( 1.826 0.000 -0.865) 2.021 4.578 ( 1.607 0.000 -2.805) 3.233 4.900 ( 4.247 0.000 1.726) 4.584 4.904 ( -2.609 0.000 -0.167) 2.615 5.077 ( 3.062 0.000 3.032) 4.309 5.295 ( -1.329 0.000 -5.972) 6.118 5.370 ( 0.355 0.000 4.277) 4.292 5.530 ( 1.033 0.000 -4.815) 4.924 5.558 ( 0.322 0.000 8.697) 8.703 5.681 ( -2.054 0.000 -0.312) 2.078 5.685 ( 2.812 0.000 1.166) 3.044 5.807 ( -4.915 0.000 -0.901) 4.997 5.934 ( -2.571 0.000 -0.184) 2.578 5.965 ( 2.369 0.000 1.526) 2.818 6.042 ( -1.250 0.000 0.649) 1.408 6.334 ( -0.354 0.000 0.569) 0.670 6.448 ( -5.273 0.000 1.821) 5.579 6.567 ( 1.433 0.000 -4.488) 4.711 6.623 ( 8.233 0.000 -12.333) 14.829 6.708 ( -0.214 0.000 1.341) 1.358 6.779 ( 3.901 0.000 -2.681) 4.733 6.914 ( -0.255 0.000 4.711) 4.718 6.988 ( 2.651 0.000 4.621) 5.327 7.027 ( -1.567 0.000 -0.548) 1.660 7.089 ( 1.217 0.000 -1.897) 2.254 7.153 ( 3.027 0.000 8.922) 9.422 7.436 ( -2.446 0.000 -1.946) 3.126 7.627 ( -4.075 0.000 2.227) 4.644 7.703 ( -2.133 0.000 5.837) 6.214 7.976 ( -1.785 0.000 -1.261) 2.185 8.035 ( 0.405 0.000 0.571) 0.700 8.077 ( -2.948 0.000 -3.406) 4.505 8.224 ( -0.247 0.000 -1.088) 1.116 8.317 ( 2.435 0.000 3.383) 4.168 8.362 ( 2.874 0.000 1.553) 3.267 8.499 ( 0.075 0.000 -6.027) 6.028 8.703 ( -2.415 0.000 -0.226) 2.425 8.822 ( 2.370 0.000 -1.070) 2.600 9.053 ( -1.022 0.000 1.018) 1.443 9.333 ( 1.899 0.000 -1.439) 2.383 9.561 ( -1.513 0.000 -1.067) 1.851 ======================= Grid point 69 (26/77) ======================= q-point: (-0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -22.267 0.000 0.983) 22.289 0.520 ( -13.926 0.000 15.173) 20.595 0.781 ( -15.753 0.000 3.910) 16.231 0.890 ( 3.407 0.000 -4.764) 5.857 0.913 ( -5.641 0.000 1.909) 5.955 1.121 ( 0.775 0.000 1.652) 1.825 1.123 ( -4.640 0.000 2.544) 5.291 1.265 ( -0.384 0.000 0.885) 0.965 1.400 ( -0.148 0.000 2.455) 2.460 1.405 ( -1.982 0.000 5.654) 5.991 1.589 ( 0.169 0.000 6.730) 6.732 1.624 ( 0.109 0.000 -1.095) 1.100 1.645 ( -0.720 0.000 -0.279) 0.772 1.724 ( -4.669 0.000 -1.641) 4.949 1.776 ( 3.074 0.000 -6.565) 7.249 1.972 ( 0.392 0.000 6.668) 6.680 2.014 ( 0.164 0.000 0.140) 0.215 2.015 ( 2.983 0.000 -1.617) 3.393 2.177 ( -0.774 0.000 2.605) 2.717 2.240 ( 3.259 0.000 -6.408) 7.189 2.354 ( 0.018 0.000 -0.222) 0.223 2.650 ( 5.702 0.000 -5.476) 7.905 2.890 ( -3.197 0.000 -3.228) 4.543 2.969 ( 5.581 0.000 -21.508) 22.220 3.263 ( -0.773 0.000 -1.188) 1.417 3.351 ( 3.257 0.000 -1.397) 3.544 3.552 ( -3.873 0.000 -3.838) 5.453 3.763 ( -1.514 0.000 -1.393) 2.057 4.079 ( -5.434 0.000 10.192) 11.550 4.408 ( 1.873 0.000 0.336) 1.903 4.513 ( 3.413 0.000 -1.114) 3.591 4.563 ( -2.287 0.000 -3.704) 4.353 4.587 ( -0.870 0.000 0.826) 1.200 4.860 ( -1.201 0.000 -1.635) 2.028 4.979 ( 2.762 0.000 1.815) 3.305 5.122 ( -0.118 0.000 -3.408) 3.410 5.298 ( 4.077 0.000 -1.120) 4.228 5.381 ( -1.659 0.000 4.410) 4.711 5.536 ( 2.262 0.000 -4.836) 5.338 5.581 ( 0.392 0.000 4.174) 4.192 5.605 ( -6.202 0.000 -5.970) 8.609 5.637 ( -2.026 0.000 -0.594) 2.111 5.795 ( -0.223 0.000 6.971) 6.975 5.868 ( -4.189 0.000 2.166) 4.716 6.023 ( 2.952 0.000 -0.716) 3.037 6.173 ( 10.213 0.000 6.084) 11.888 6.331 ( -0.339 0.000 0.814) 0.882 6.427 ( 2.980 0.000 8.152) 8.680 6.559 ( 0.303 0.000 -4.441) 4.451 6.670 ( 5.416 0.000 -15.430) 16.353 6.737 ( 2.401 0.000 1.606) 2.889 6.869 ( 7.358 0.000 -2.097) 7.651 6.918 ( -2.519 0.000 4.436) 5.101 6.997 ( -0.665 0.000 -0.649) 0.929 7.089 ( 5.938 0.000 4.101) 7.217 7.101 ( 1.073 0.000 -1.802) 2.098 7.315 ( -0.866 0.000 5.114) 5.187 7.339 ( 3.932 0.000 4.007) 5.613 7.529 ( -6.727 0.000 4.408) 8.043 7.714 ( -0.417 0.000 4.389) 4.408 7.931 ( -3.847 0.000 -3.570) 5.248 8.022 ( -1.691 0.000 -1.487) 2.252 8.074 ( 2.244 0.000 3.054) 3.789 8.218 ( 0.072 0.000 0.103) 0.126 8.340 ( -1.252 0.000 -0.297) 1.286 8.374 ( -2.895 0.000 -4.418) 5.282 8.502 ( 4.610 0.000 -1.583) 4.874 8.640 ( -3.474 0.000 0.297) 3.487 8.868 ( 2.917 0.000 -1.477) 3.269 9.035 ( -1.728 0.000 1.025) 2.009 9.334 ( -1.770 0.000 -3.742) 4.139 9.522 ( -1.988 0.000 -0.104) 1.991 ======================= Grid point 70 (27/77) ======================= q-point: ( 0.00 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.304 ( 3.658 11.981 1.079) 12.574 0.458 ( 6.038 6.612 12.595) 15.453 0.817 ( 1.659 -1.568 0.166) 2.289 0.949 ( -0.072 3.122 1.165) 3.333 1.041 ( 0.027 14.357 4.304) 14.988 1.159 ( -3.125 7.249 -2.021) 8.148 1.258 ( 0.406 10.423 1.602) 10.554 1.353 ( -5.784 8.252 2.848) 10.472 1.419 ( -0.436 15.953 4.147) 16.489 1.509 ( -0.423 6.868 3.218) 7.597 1.551 ( 0.710 -0.685 -0.616) 1.163 1.690 ( -3.230 13.152 -1.336) 13.609 1.792 ( -0.659 8.067 2.963) 8.619 1.822 ( 0.785 8.724 0.576) 8.778 1.876 ( 2.002 6.036 -5.315) 8.288 2.013 ( 0.159 1.229 -1.701) 2.104 2.065 ( 0.154 1.714 4.024) 4.376 2.077 ( -1.088 0.300 -1.941) 2.246 2.247 ( -0.080 18.678 1.169) 18.714 2.332 ( -0.413 10.732 2.048) 10.933 2.484 ( -1.130 10.391 -0.662) 10.473 2.652 ( 1.023 -2.458 -2.205) 3.457 2.749 ( -1.776 1.687 -10.680) 10.958 2.909 ( 5.412 4.192 -9.696) 11.869 3.256 ( 3.910 -3.840 2.154) 5.888 3.296 ( -3.640 -2.644 0.577) 4.536 3.430 ( -1.848 -1.775 -2.509) 3.586 3.745 ( -1.079 -3.197 0.832) 3.475 4.015 ( -0.026 -1.531 8.299) 8.439 4.441 ( -0.553 -3.538 -0.985) 3.714 4.507 ( 1.110 -4.998 0.728) 5.171 4.779 ( -1.095 18.048 -0.226) 18.082 4.861 ( 4.156 13.695 -7.392) 16.108 4.930 ( -1.619 -0.831 0.578) 1.910 4.992 ( 0.004 2.894 -0.810) 3.006 5.086 ( -2.655 4.250 -4.781) 6.926 5.175 ( -0.680 -5.338 -1.348) 5.547 5.402 ( 1.006 -4.023 2.085) 4.642 5.537 ( 0.342 0.958 -2.222) 2.443 5.590 ( -1.053 3.100 -0.129) 3.276 5.673 ( -0.355 4.438 3.846) 5.883 5.754 ( -0.755 12.987 1.524) 13.098 5.882 ( -2.968 3.849 3.189) 5.813 5.952 ( 2.354 7.819 -0.681) 8.194 5.976 ( 2.377 0.362 -0.271) 2.420 6.220 ( -0.625 6.358 3.790) 7.428 6.302 ( 2.014 2.279 -3.808) 4.874 6.449 ( 0.246 1.499 -2.437) 2.872 6.675 ( -2.300 -2.107 -1.946) 3.676 6.737 ( 0.220 -0.537 3.333) 3.383 6.821 ( 2.201 0.050 -3.390) 4.042 6.853 ( 2.013 0.689 0.778) 2.265 7.021 ( 0.276 2.449 0.062) 2.466 7.078 ( -2.758 3.561 -0.607) 4.545 7.160 ( -1.009 8.534 -3.972) 9.467 7.172 ( 1.961 4.934 -1.704) 5.576 7.287 ( -5.915 -1.990 2.682) 6.793 7.425 ( 5.147 2.920 5.681) 8.204 7.548 ( -1.437 -2.994 -8.210) 8.856 7.736 ( -10.175 1.033 -0.361) 10.233 7.964 ( 2.992 1.338 0.987) 3.423 8.021 ( 3.663 3.187 -0.150) 4.858 8.172 ( 8.256 1.938 -0.725) 8.511 8.215 ( 0.814 -0.986 0.702) 1.459 8.248 ( -2.405 -0.704 -2.042) 3.232 8.298 ( -1.931 -3.541 -1.003) 4.156 8.498 ( -2.755 -3.710 -1.526) 4.866 8.590 ( 2.732 -2.626 2.159) 4.361 8.784 ( -1.430 -6.384 1.089) 6.633 8.984 ( -0.097 -1.937 0.452) 1.991 9.290 ( 2.774 -3.815 1.129) 4.850 9.468 ( -0.260 -2.777 -0.559) 2.845 ======================= Grid point 71 (28/77) ======================= q-point: ( 0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 13.264 8.136 -1.659) 15.649 0.690 ( 10.639 2.391 2.162) 11.116 0.872 ( 2.702 5.399 2.595) 6.572 1.024 ( 3.628 -0.843 4.369) 5.741 1.058 ( 0.510 3.199 -7.473) 8.145 1.213 ( 3.890 8.765 5.763) 11.188 1.255 ( -0.066 5.001 3.050) 5.858 1.316 ( 4.398 17.655 -1.756) 18.279 1.454 ( -3.068 13.938 2.333) 14.461 1.471 ( 1.114 7.785 6.936) 10.486 1.566 ( 1.863 -0.809 -2.262) 3.040 1.639 ( -2.249 13.799 4.660) 14.737 1.777 ( -1.667 8.949 3.619) 9.796 1.841 ( 0.909 7.729 0.741) 7.817 1.889 ( 2.678 9.231 -6.925) 11.846 1.982 ( -1.421 -0.783 -2.067) 2.628 2.061 ( 0.515 2.086 0.703) 2.261 2.116 ( 1.160 1.561 3.298) 3.829 2.255 ( 0.168 17.153 1.480) 17.218 2.343 ( -0.141 11.980 2.671) 12.275 2.462 ( -0.883 7.742 -2.317) 8.129 2.620 ( -4.984 2.653 -5.522) 7.897 2.714 ( 3.363 -1.087 -2.327) 4.231 2.949 ( 5.775 6.153 -18.051) 19.926 3.224 ( -5.026 -4.385 0.402) 6.683 3.367 ( 5.334 -6.487 1.951) 8.622 3.386 ( -1.156 -2.286 0.321) 2.581 3.676 ( -5.358 -2.509 2.647) 6.481 4.113 ( 5.247 -1.425 5.858) 7.992 4.463 ( 0.043 -3.813 -0.863) 3.909 4.516 ( 1.698 -5.539 -0.668) 5.832 4.736 ( -2.447 17.844 -1.289) 18.057 4.837 ( -2.147 15.800 -7.782) 17.743 4.888 ( -6.621 -0.611 2.930) 7.266 4.938 ( -2.052 0.272 -0.625) 2.163 5.062 ( 1.664 -0.165 -3.065) 3.492 5.191 ( 3.024 3.971 2.070) 5.404 5.386 ( -1.873 -3.594 1.135) 4.209 5.558 ( -1.133 4.659 -0.575) 4.829 5.574 ( 2.181 -0.239 -1.071) 2.441 5.681 ( -1.007 1.634 3.286) 3.805 5.767 ( 0.910 12.623 0.789) 12.681 5.873 ( 0.424 2.925 2.920) 4.155 5.977 ( 0.261 3.948 0.114) 3.958 6.021 ( 3.130 4.018 -1.507) 5.312 6.191 ( -4.300 5.961 3.319) 8.064 6.324 ( 2.666 1.217 -5.041) 5.831 6.422 ( -1.683 1.454 -1.373) 2.614 6.633 ( -1.629 -1.321 -0.948) 2.302 6.756 ( 0.075 -1.248 3.071) 3.316 6.803 ( -8.652 0.112 0.330) 8.659 6.833 ( 1.552 2.344 -4.958) 5.700 6.994 ( -1.693 6.916 4.845) 8.612 7.031 ( 0.360 7.932 -1.194) 8.029 7.095 ( -5.292 7.232 -3.304) 9.551 7.193 ( -5.014 1.189 3.491) 6.224 7.215 ( -1.769 7.895 1.300) 8.194 7.345 ( -1.318 -1.823 -4.410) 4.951 7.587 ( 5.062 -1.414 3.333) 6.224 7.693 ( -0.963 -0.344 3.363) 3.515 7.980 ( -0.401 -2.232 0.332) 2.292 8.079 ( 2.933 0.212 -0.134) 2.944 8.193 ( -3.950 -1.885 1.432) 4.605 8.223 ( -0.212 -2.035 -2.507) 3.236 8.254 ( 1.247 -0.867 1.402) 2.067 8.268 ( -0.442 -0.947 -3.649) 3.796 8.481 ( 1.571 -0.562 -1.084) 1.990 8.620 ( 1.048 -3.792 -0.488) 3.964 8.774 ( -0.428 -5.228 0.303) 5.254 9.005 ( 1.385 -2.687 0.871) 3.146 9.313 ( -0.972 -4.363 -1.349) 4.669 9.495 ( 2.794 -4.449 -0.525) 5.280 ======================= Grid point 72 (29/77) ======================= q-point: ( 0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 8.973 4.066 0.340) 9.857 0.844 ( 5.100 2.520 0.504) 5.711 0.927 ( 2.066 1.779 -0.962) 2.891 1.019 ( -4.277 7.012 4.431) 9.333 1.045 ( 2.549 10.520 -3.811) 11.476 1.256 ( -4.231 3.305 -2.228) 5.813 1.269 ( 2.981 6.206 3.188) 7.587 1.358 ( -4.452 0.816 6.391) 7.831 1.414 ( 3.113 17.381 3.120) 17.931 1.571 ( 0.520 10.270 -2.190) 10.513 1.606 ( 6.044 3.469 -0.483) 6.986 1.673 ( 0.941 7.856 3.650) 8.713 1.767 ( -2.300 6.982 1.513) 7.505 1.852 ( 0.017 6.078 -1.488) 6.257 1.902 ( 2.670 10.222 -4.947) 11.666 1.976 ( 1.617 2.767 -2.781) 4.243 2.077 ( -0.301 1.423 3.987) 4.244 2.158 ( 2.559 5.899 2.930) 7.066 2.256 ( -3.152 9.181 2.475) 10.018 2.328 ( -4.814 7.037 1.217) 8.613 2.412 ( 0.067 9.025 -3.136) 9.555 2.510 ( -2.546 12.157 1.273) 12.486 2.832 ( 10.680 0.076 -0.314) 10.685 2.944 ( 4.877 3.380 -19.242) 20.137 3.089 ( -9.140 -5.408 2.012) 10.809 3.381 ( -0.610 -0.948 -3.227) 3.418 3.456 ( 3.234 -7.141 -0.032) 7.839 3.639 ( -0.588 -4.920 6.948) 8.533 4.207 ( 0.043 -0.979 5.064) 5.158 4.403 ( -2.271 -3.504 -2.886) 5.076 4.540 ( -0.384 -5.022 -1.488) 5.252 4.689 ( -1.292 13.664 -0.608) 13.738 4.776 ( 0.576 17.635 -2.100) 17.769 4.828 ( -0.023 1.624 -1.227) 2.036 4.952 ( 1.724 1.664 3.092) 3.911 5.046 ( -1.907 -0.678 -2.451) 3.178 5.281 ( 4.055 2.725 4.457) 6.613 5.372 ( 0.811 0.219 -4.462) 4.541 5.511 ( -1.836 7.048 0.907) 7.340 5.628 ( 2.070 -0.700 0.123) 2.189 5.664 ( -1.910 0.709 2.081) 2.913 5.779 ( -0.425 9.313 2.027) 9.541 5.918 ( 2.538 2.120 1.123) 3.493 5.963 ( -1.981 3.851 2.788) 5.150 6.045 ( 0.124 6.726 -2.986) 7.361 6.117 ( -4.933 7.683 2.230) 9.399 6.338 ( 2.732 -4.522 -7.148) 8.889 6.405 ( -0.174 4.630 -0.807) 4.703 6.583 ( -3.681 -2.613 -0.808) 4.586 6.690 ( -0.857 4.079 0.446) 4.191 6.787 ( -0.095 -0.654 5.891) 5.928 6.829 ( 0.748 3.596 -5.016) 6.217 6.935 ( -6.526 11.374 0.472) 13.122 6.998 ( -1.233 -2.444 0.450) 2.774 7.064 ( 1.563 9.120 2.011) 9.469 7.159 ( 0.431 3.704 -4.533) 5.870 7.201 ( -0.065 7.581 5.373) 9.292 7.387 ( 4.105 -2.825 -1.706) 5.267 7.634 ( -0.528 -2.361 -0.834) 2.559 7.698 ( -1.449 -0.603 7.711) 7.869 7.971 ( -0.355 -3.291 -0.304) 3.324 8.086 ( -2.530 0.665 -2.115) 3.364 8.106 ( -3.679 -4.484 -2.482) 6.309 8.231 ( 0.099 -0.303 -2.581) 2.600 8.251 ( 1.777 1.106 3.333) 3.936 8.292 ( 1.651 -1.760 2.822) 3.713 8.492 ( 0.377 -1.437 -3.545) 3.843 8.653 ( 2.576 -4.348 -0.190) 5.057 8.761 ( -0.850 -4.903 -0.756) 5.033 9.023 ( 0.017 -3.194 0.858) 3.308 9.285 ( -0.726 -3.511 -0.833) 3.681 9.522 ( 0.451 -5.070 -0.679) 5.135 ======================= Grid point 73 (30/77) ======================= q-point: (-0.40 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -7.917 4.503 1.836) 9.292 0.797 ( -10.774 0.491 -2.623) 11.099 0.843 ( -4.354 2.032 0.780) 4.868 1.043 ( -0.894 3.334 2.635) 4.342 1.105 ( 4.242 15.462 -1.836) 16.139 1.199 ( 2.769 3.150 -0.680) 4.249 1.319 ( 0.783 2.172 5.141) 5.635 1.355 ( 0.621 9.067 1.785) 9.262 1.466 ( -0.948 9.986 4.395) 10.951 1.549 ( -3.902 8.242 1.021) 9.176 1.573 ( -7.696 10.675 -2.813) 13.457 1.705 ( 1.646 7.372 2.565) 7.977 1.722 ( -0.665 6.729 0.863) 6.817 1.848 ( 0.586 7.104 -3.448) 7.918 1.935 ( -2.174 0.813 -5.825) 6.271 1.943 ( 1.180 6.970 0.899) 7.126 2.047 ( -5.756 4.231 3.235) 7.842 2.135 ( -1.748 1.738 2.705) 3.660 2.223 ( 1.385 14.783 2.130) 15.000 2.314 ( 0.639 9.955 2.064) 10.187 2.469 ( 2.997 7.565 -1.942) 8.366 2.547 ( 6.496 7.363 -0.617) 9.838 2.902 ( 3.045 0.564 -19.187) 19.436 2.961 ( -5.490 -2.848 2.422) 6.642 3.107 ( 13.961 -2.260 5.168) 15.058 3.305 ( -3.256 -0.131 -7.827) 8.478 3.486 ( 0.655 -6.664 -1.614) 6.888 3.687 ( 0.129 -6.195 7.221) 9.515 4.133 ( -7.818 -1.485 4.936) 9.365 4.416 ( 2.994 -3.326 -2.362) 5.061 4.523 ( 0.089 -3.351 -1.264) 3.583 4.713 ( 3.655 11.092 -0.320) 11.683 4.783 ( 0.215 15.845 -2.009) 15.974 4.881 ( 6.328 6.423 -1.823) 9.199 4.993 ( -0.507 -0.297 -2.990) 3.047 5.013 ( 1.918 -1.033 4.454) 4.959 5.325 ( -2.835 3.915 -2.254) 5.334 5.351 ( 0.147 3.428 0.004) 3.431 5.533 ( 2.979 -0.003 -0.656) 3.050 5.622 ( -1.002 4.292 3.222) 5.460 5.672 ( -0.093 1.408 0.729) 1.588 5.788 ( 1.197 -0.441 2.790) 3.068 5.886 ( -5.993 5.965 1.146) 8.533 5.959 ( -0.417 6.257 -1.139) 6.374 6.006 ( -3.947 5.572 2.106) 7.146 6.092 ( 2.532 11.306 0.887) 11.620 6.356 ( -3.006 4.958 -3.606) 6.828 6.377 ( 4.539 -4.213 -3.897) 7.317 6.588 ( 4.564 -1.391 -0.631) 4.813 6.717 ( 1.889 0.936 0.429) 2.151 6.788 ( -2.614 3.217 4.872) 6.397 6.814 ( 0.353 2.305 -4.100) 4.717 6.895 ( 1.629 6.474 1.323) 6.806 7.006 ( 1.795 1.641 0.446) 2.472 7.091 ( 1.430 5.650 -0.618) 5.861 7.158 ( 2.240 4.106 -5.047) 6.881 7.267 ( 4.144 9.589 6.690) 12.404 7.415 ( -1.026 -1.432 -1.221) 2.143 7.580 ( -6.158 -3.995 2.534) 7.765 7.721 ( 1.631 1.793 5.032) 5.586 7.967 ( -0.370 -2.205 -0.292) 2.255 8.021 ( -2.162 -2.037 -1.415) 3.290 8.052 ( -0.924 -0.779 -2.888) 3.130 8.216 ( -0.528 -0.668 -0.828) 1.188 8.302 ( 0.998 -1.271 2.743) 3.183 8.355 ( 4.049 -0.281 2.519) 4.777 8.459 ( -1.481 -3.400 -5.353) 6.512 8.663 ( -2.368 -3.531 0.137) 4.253 8.761 ( 1.842 -5.650 -1.000) 6.026 9.018 ( -0.931 -3.125 0.919) 3.388 9.286 ( 0.957 -4.041 -0.988) 4.269 9.511 ( -1.090 -4.538 -0.523) 4.696 ======================= Grid point 74 (31/77) ======================= q-point: (-0.20 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( -19.134 4.400 -2.246) 19.762 0.530 ( -14.292 8.039 5.783) 17.387 0.823 ( -0.700 -0.483 -1.510) 1.733 0.989 ( -4.160 0.250 0.703) 4.226 1.132 ( -6.947 17.917 3.017) 19.452 1.208 ( -0.390 2.282 0.400) 2.349 1.290 ( -7.967 12.645 -0.204) 14.946 1.381 ( 2.616 5.654 3.714) 7.253 1.404 ( 0.107 18.923 3.796) 19.300 1.474 ( -1.363 1.876 4.503) 5.065 1.558 ( -0.833 3.468 0.253) 3.576 1.727 ( 0.272 11.860 -1.507) 11.958 1.760 ( 2.663 7.097 1.929) 7.822 1.822 ( -1.427 7.556 -0.912) 7.743 1.875 ( 0.305 5.737 -3.608) 6.784 2.000 ( 2.759 0.048 -0.121) 2.762 2.007 ( -0.136 5.568 3.480) 6.567 2.136 ( -0.970 -1.048 -0.679) 1.581 2.243 ( -0.005 18.187 1.615) 18.258 2.333 ( 0.211 9.098 0.877) 9.142 2.495 ( 0.743 10.181 -0.338) 10.213 2.636 ( 3.421 -0.047 -3.804) 5.116 2.840 ( -0.638 -2.790 -13.748) 14.043 2.902 ( -0.677 0.583 -4.649) 4.734 3.220 ( -0.889 -2.922 -0.767) 3.149 3.323 ( 3.157 -0.913 2.329) 4.028 3.470 ( -0.512 -4.415 -4.117) 6.058 3.705 ( 1.410 -4.163 1.717) 4.719 4.044 ( -6.218 -1.936 8.732) 10.893 4.463 ( 3.271 -4.171 -0.846) 5.368 4.500 ( -3.212 -4.285 -0.994) 5.447 4.771 ( 1.053 18.978 -0.973) 19.032 4.794 ( 5.247 6.506 -3.283) 8.980 4.959 ( 0.626 6.956 -0.231) 6.988 4.973 ( 1.191 -0.702 -2.088) 2.505 5.101 ( 4.489 3.751 -2.510) 6.366 5.240 ( -4.146 -0.272 -4.905) 6.428 5.342 ( 1.327 -3.974 1.449) 4.433 5.556 ( 0.151 1.606 -3.286) 3.660 5.623 ( -1.697 6.300 -0.628) 6.555 5.657 ( -0.751 1.159 5.019) 5.205 5.787 ( -3.513 10.476 0.732) 11.074 5.880 ( 5.059 -1.707 2.789) 6.024 5.937 ( -4.620 5.142 3.008) 7.539 5.953 ( 0.105 9.546 0.462) 9.557 6.169 ( 3.617 8.499 3.837) 10.002 6.305 ( -0.357 2.896 -4.194) 5.109 6.433 ( 2.942 -0.621 -2.510) 3.917 6.685 ( 4.166 -5.725 1.289) 7.196 6.728 ( -0.609 3.189 -2.228) 3.938 6.783 ( 1.157 4.153 2.834) 5.160 6.817 ( 1.820 0.902 -2.557) 3.265 6.963 ( 5.015 4.732 0.653) 6.926 7.052 ( 2.414 5.100 0.504) 5.665 7.121 ( 2.788 4.888 -2.959) 6.358 7.198 ( 4.268 2.856 -2.247) 5.606 7.345 ( -4.845 2.404 -1.023) 5.505 7.400 ( 2.964 3.333 5.432) 7.028 7.477 ( -0.872 -3.409 -0.475) 3.551 7.820 ( 5.896 7.752 7.787) 12.470 7.924 ( -4.263 -0.703 -3.471) 5.542 7.994 ( 0.109 -2.801 -2.328) 3.643 8.069 ( 2.819 0.453 1.804) 3.377 8.205 ( -0.319 -1.311 0.112) 1.354 8.316 ( -0.321 -2.464 0.716) 2.586 8.353 ( -4.822 -1.358 -5.722) 7.605 8.473 ( 5.213 -2.135 1.302) 5.782 8.595 ( -4.302 -4.132 0.013) 5.964 8.789 ( 1.107 -6.655 -0.389) 6.758 9.002 ( -1.449 -2.765 0.951) 3.263 9.284 ( -0.955 -4.023 -1.223) 4.312 9.486 ( -1.305 -3.390 -0.089) 3.634 ======================= Grid point 75 (32/77) ======================= q-point: ( 0.00 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 2.023 20.289 1.735) 20.464 0.708 ( 0.036 14.742 2.994) 15.043 0.845 ( 1.779 4.103 0.344) 4.485 0.986 ( 0.736 5.514 0.138) 5.565 1.159 ( -0.678 5.036 -5.571) 7.540 1.291 ( -1.869 1.670 3.520) 4.321 1.456 ( -1.876 5.182 5.984) 8.135 1.507 ( 1.462 7.949 -4.360) 9.184 1.626 ( 0.199 8.851 3.990) 9.711 1.743 ( -0.497 12.630 -5.174) 13.657 1.864 ( -0.622 3.947 -5.347) 6.675 1.947 ( 1.085 8.056 4.129) 9.117 1.978 ( -0.550 15.886 -0.510) 15.903 2.007 ( -0.378 9.143 0.447) 9.162 2.029 ( 0.133 16.326 1.665) 16.411 2.091 ( -0.155 9.807 -0.620) 9.827 2.159 ( 0.926 6.469 -5.201) 8.353 2.214 ( -0.735 12.541 6.994) 14.378 2.504 ( 0.249 6.613 2.910) 7.229 2.631 ( -0.289 2.721 1.253) 3.010 2.643 ( -1.004 14.182 -0.198) 14.219 2.743 ( -0.422 16.275 -1.971) 16.400 2.884 ( -2.074 9.222 -0.739) 9.481 3.029 ( 6.346 5.818 -4.259) 9.605 3.177 ( 1.211 -2.342 0.594) 2.703 3.275 ( -2.586 3.116 -3.122) 5.113 3.412 ( -2.690 0.528 -4.624) 5.376 3.679 ( 0.850 -2.182 2.004) 3.082 4.006 ( 0.527 1.160 6.271) 6.399 4.356 ( 1.244 -4.565 -1.264) 4.898 4.395 ( -0.996 -5.114 0.010) 5.210 4.842 ( 0.586 -5.435 -1.056) 5.568 4.893 ( -1.619 -1.771 0.914) 2.568 4.957 ( 0.737 -3.528 0.029) 3.604 5.056 ( 1.098 -2.925 -3.135) 4.426 5.198 ( -1.293 9.389 -1.686) 9.627 5.305 ( 3.750 4.435 1.026) 5.897 5.340 ( -1.225 6.780 0.577) 6.914 5.575 ( -1.825 2.463 2.674) 4.067 5.676 ( -2.253 5.704 -3.989) 7.316 5.813 ( -0.323 -1.638 1.346) 2.144 5.877 ( 2.475 9.819 -3.533) 10.724 6.012 ( -0.692 4.636 -7.439) 8.793 6.073 ( -1.134 12.848 1.949) 13.045 6.287 ( 1.960 17.107 1.650) 17.298 6.349 ( 2.624 7.751 0.418) 8.194 6.439 ( -0.234 8.909 2.408) 9.231 6.533 ( -1.018 -0.001 4.726) 4.834 6.687 ( -2.548 -1.474 3.643) 4.684 6.695 ( -1.376 6.566 -0.024) 6.709 6.839 ( -1.219 3.928 -1.539) 4.391 6.871 ( 0.538 0.698 -0.102) 0.888 7.025 ( -0.154 -1.828 1.433) 2.328 7.146 ( -0.009 0.636 -1.730) 1.843 7.182 ( 0.736 1.503 -2.420) 2.942 7.309 ( 1.767 5.820 -0.051) 6.083 7.364 ( -2.319 4.576 -4.368) 6.738 7.415 ( 6.445 -1.840 -3.977) 7.794 7.553 ( -0.702 5.130 -2.957) 5.963 7.753 ( -5.882 1.279 3.913) 7.179 7.913 ( 0.202 -3.106 2.613) 4.065 8.080 ( 1.999 1.085 -0.651) 2.366 8.120 ( -0.932 -6.597 0.787) 6.708 8.213 ( 1.705 0.217 0.258) 1.738 8.225 ( -2.144 -0.525 -0.919) 2.390 8.294 ( 1.484 2.510 -3.081) 4.242 8.424 ( -0.418 -3.093 -0.326) 3.138 8.529 ( 1.562 -3.450 3.642) 5.254 8.639 ( -0.458 -6.777 -0.028) 6.793 8.927 ( -0.156 -3.601 0.600) 3.654 9.197 ( 0.686 -5.108 0.724) 5.204 9.389 ( -0.173 -4.775 -0.493) 4.803 ======================= Grid point 76 (33/77) ======================= q-point: ( 0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 6.477 15.041 -3.332) 16.712 0.788 ( 5.550 7.764 1.416) 9.648 0.937 ( 5.598 4.151 1.519) 7.132 1.073 ( 7.265 5.377 2.889) 9.489 1.137 ( 1.900 6.169 -5.873) 8.727 1.279 ( -1.827 3.945 5.192) 6.772 1.461 ( -0.302 2.475 4.554) 5.192 1.508 ( -2.173 7.079 1.190) 7.500 1.610 ( -2.384 9.817 -3.183) 10.592 1.721 ( 3.105 11.565 -5.275) 13.085 1.824 ( -0.764 1.370 -2.760) 3.175 1.919 ( -3.102 14.070 1.476) 14.484 2.007 ( 0.936 10.915 1.507) 11.058 2.021 ( -1.084 15.463 1.645) 15.588 2.059 ( 4.198 10.549 -1.604) 11.466 2.100 ( 1.889 11.512 -0.437) 11.675 2.155 ( 1.174 6.060 -3.352) 7.024 2.241 ( 0.551 12.838 6.248) 14.289 2.511 ( -1.544 6.749 1.234) 7.032 2.613 ( -2.267 15.675 -0.364) 15.843 2.637 ( 0.573 3.824 0.582) 3.910 2.752 ( 2.527 15.371 0.834) 15.600 2.838 ( -2.216 9.628 0.126) 9.880 3.119 ( 1.022 1.838 -4.624) 5.080 3.165 ( -0.437 5.834 -3.546) 6.841 3.258 ( 2.589 -0.800 -0.495) 2.755 3.336 ( -2.846 -1.760 -0.064) 3.347 3.648 ( -4.014 0.749 0.840) 4.169 4.099 ( 5.660 0.180 4.949) 7.521 4.366 ( -2.776 -7.003 -1.221) 7.632 4.390 ( 3.026 -3.943 -0.868) 5.045 4.763 ( -6.135 -5.873 -0.702) 8.522 4.862 ( -1.383 -0.692 0.675) 1.688 4.962 ( 0.913 -2.319 -2.355) 3.429 5.122 ( 0.809 6.490 -0.895) 6.601 5.184 ( 0.406 7.397 -0.702) 7.442 5.329 ( 2.593 1.370 -0.604) 2.994 5.392 ( 5.857 7.748 -1.016) 9.766 5.532 ( -3.698 4.716 1.809) 6.260 5.614 ( -2.091 -0.070 -1.028) 2.331 5.834 ( 2.122 2.232 1.840) 3.588 5.896 ( 1.081 7.658 -2.618) 8.165 5.972 ( -0.506 3.597 -5.101) 6.262 6.057 ( -1.055 11.850 0.796) 11.923 6.298 ( -1.712 15.265 2.164) 15.512 6.370 ( -1.589 7.442 1.970) 7.860 6.444 ( -0.044 12.892 0.276) 12.895 6.546 ( -0.019 3.078 2.152) 3.756 6.618 ( -4.576 -0.171 3.941) 6.041 6.691 ( -1.001 -4.582 0.760) 4.752 6.778 ( -2.862 7.586 0.260) 8.112 6.898 ( 0.398 0.944 2.149) 2.381 6.973 ( -3.242 -2.569 -1.801) 4.512 7.184 ( 1.709 0.445 -0.408) 1.812 7.224 ( 3.627 4.380 -1.546) 5.893 7.264 ( -2.028 5.707 -2.824) 6.683 7.340 ( -1.278 4.131 -0.661) 4.374 7.421 ( -3.401 9.893 -7.999) 13.170 7.525 ( 3.889 -2.801 -1.688) 5.081 7.726 ( -2.587 3.053 6.765) 7.860 7.905 ( -2.276 -4.416 1.071) 5.082 8.066 ( -3.220 -4.054 0.042) 5.178 8.109 ( 0.287 -2.054 0.328) 2.100 8.208 ( 0.542 -0.577 1.845) 2.007 8.235 ( 1.852 0.552 -1.253) 2.303 8.286 ( -1.317 1.552 -2.257) 3.039 8.467 ( 3.841 -1.055 -0.176) 3.987 8.527 ( -2.243 -4.654 0.779) 5.225 8.644 ( 0.506 -6.610 0.176) 6.631 8.934 ( 0.383 -4.124 0.721) 4.204 9.207 ( -0.152 -5.595 -0.040) 5.597 9.390 ( 0.435 -5.681 -0.172) 5.700 ======================= Grid point 77 (34/77) ======================= q-point: ( 0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 4.148 9.587 -1.853) 10.609 0.873 ( 5.278 2.201 -0.923) 5.793 1.008 ( 0.964 6.824 -0.261) 6.897 1.142 ( 2.593 7.488 -1.079) 7.997 1.201 ( 0.128 4.738 1.951) 5.125 1.297 ( 2.443 1.376 4.385) 5.205 1.426 ( -5.080 4.709 -0.549) 6.948 1.472 ( -2.667 11.106 3.928) 12.078 1.566 ( 0.572 3.424 -1.821) 3.920 1.790 ( 6.678 10.472 -7.182) 14.347 1.817 ( 0.363 0.396 -0.723) 0.900 1.883 ( -0.894 11.431 -0.230) 11.468 1.993 ( -2.159 16.912 2.019) 17.168 2.021 ( 0.263 9.485 0.051) 9.488 2.090 ( 0.214 7.897 -4.559) 9.121 2.121 ( 0.480 11.515 -1.279) 11.596 2.174 ( 1.010 7.359 -0.329) 7.436 2.321 ( 5.340 13.510 2.999) 14.833 2.441 ( -5.503 10.752 -1.862) 12.221 2.576 ( -2.368 14.546 3.056) 15.051 2.657 ( 0.950 11.252 1.314) 11.368 2.807 ( 0.582 13.762 4.051) 14.358 2.887 ( 9.053 6.427 3.394) 11.609 2.984 ( -9.714 -0.385 0.692) 9.746 3.121 ( -2.750 9.420 -9.624) 13.745 3.313 ( 2.261 -4.216 1.042) 4.896 3.376 ( 4.926 0.135 1.128) 5.056 3.578 ( -3.266 1.260 -0.506) 3.537 4.203 ( 0.338 0.793 4.057) 4.148 4.284 ( -2.260 -8.544 -3.888) 9.655 4.433 ( 1.556 -4.103 -0.125) 4.390 4.686 ( -1.371 -4.380 -0.833) 4.664 4.872 ( 1.962 0.622 2.672) 3.373 4.954 ( -1.178 -3.571 -2.612) 4.578 5.068 ( -2.932 6.516 -3.083) 7.782 5.182 ( 0.676 10.947 0.942) 11.009 5.410 ( 4.116 4.960 -1.583) 6.637 5.475 ( 0.157 9.675 5.182) 10.977 5.524 ( 1.595 -2.998 -3.547) 4.911 5.592 ( 3.070 -0.562 -1.284) 3.375 5.866 ( -4.965 2.524 -1.164) 5.690 5.897 ( 3.681 7.216 -0.590) 8.122 5.939 ( 0.226 10.483 -0.824) 10.517 6.066 ( 2.488 5.257 -3.060) 6.572 6.258 ( -4.337 10.665 4.966) 12.538 6.305 ( -5.979 7.967 3.966) 10.722 6.456 ( 1.709 15.033 -0.391) 15.135 6.533 ( -0.825 -0.126 0.387) 0.920 6.610 ( -2.373 5.678 3.145) 6.911 6.661 ( 0.546 1.243 1.071) 1.729 6.765 ( -0.625 3.256 2.360) 4.070 6.875 ( -3.058 -4.793 1.439) 5.865 6.944 ( -0.020 3.001 0.223) 3.009 7.133 ( -0.597 -1.749 -6.910) 7.153 7.230 ( -1.422 9.607 -3.915) 10.471 7.282 ( 0.287 10.306 -0.000) 10.310 7.337 ( 3.751 3.803 -0.911) 5.419 7.410 ( 2.409 6.520 -0.291) 6.957 7.571 ( 1.462 -3.163 -1.414) 3.760 7.701 ( -1.552 0.903 4.296) 4.656 7.861 ( -2.095 -6.122 -0.841) 6.525 8.008 ( -3.514 -4.069 1.183) 5.505 8.108 ( -0.621 0.890 -0.924) 1.425 8.226 ( -0.512 -0.689 0.320) 0.915 8.260 ( 0.316 -0.455 0.295) 0.628 8.280 ( 2.815 1.402 1.365) 3.428 8.454 ( -3.039 -2.093 -1.204) 3.882 8.560 ( 4.365 -3.792 -0.466) 5.800 8.639 ( -1.439 -6.157 -0.120) 6.324 8.940 ( -0.152 -4.730 0.641) 4.776 9.196 ( -0.535 -4.856 -0.384) 4.900 9.395 ( 0.088 -6.909 -0.032) 6.909 ======================= Grid point 78 (35/77) ======================= q-point: (-0.40 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -2.050 2.273 -1.609) 3.458 0.922 ( -2.254 8.874 1.593) 9.293 0.927 ( -8.620 11.745 -3.090) 14.893 1.136 ( -3.842 3.934 -1.075) 5.603 1.202 ( 0.773 5.122 2.160) 5.612 1.305 ( -2.621 0.102 4.128) 4.891 1.426 ( 3.642 2.487 1.330) 4.606 1.459 ( 0.631 11.273 3.130) 11.717 1.574 ( 0.811 6.448 -3.951) 7.606 1.800 ( -2.099 3.798 0.174) 4.343 1.860 ( 4.630 11.247 -6.016) 13.569 1.887 ( 1.700 6.688 -4.299) 8.130 1.989 ( 0.226 14.189 2.942) 14.492 2.014 ( -0.893 9.718 -0.929) 9.803 2.048 ( -1.563 6.234 0.495) 6.446 2.111 ( -2.043 18.022 -1.946) 18.242 2.177 ( 0.791 6.793 -1.847) 7.084 2.281 ( -7.076 15.849 2.414) 17.524 2.463 ( 3.892 7.505 1.656) 8.615 2.574 ( 1.382 12.796 1.968) 13.020 2.669 ( -0.364 15.149 0.710) 15.170 2.833 ( -5.281 10.028 0.477) 11.344 2.858 ( 1.459 3.621 4.617) 6.046 3.020 ( -2.478 6.663 -7.826) 10.573 3.112 ( 9.090 0.992 6.236) 11.068 3.324 ( -1.186 -0.588 0.218) 1.341 3.434 ( 3.904 7.622 -9.190) 12.561 3.561 ( 0.177 -5.692 4.726) 7.400 4.105 ( -7.426 -1.301 1.921) 7.780 4.310 ( 2.450 -6.666 -1.587) 7.277 4.446 ( 0.106 -3.092 -0.324) 3.111 4.701 ( 2.884 -4.103 -0.727) 5.067 4.890 ( -2.322 -3.353 0.861) 4.168 4.966 ( 4.458 0.099 -1.435) 4.684 5.036 ( 1.969 4.274 -2.518) 5.337 5.211 ( -0.190 9.758 4.883) 10.914 5.390 ( -5.373 2.336 -4.383) 7.317 5.474 ( -2.026 3.863 -3.208) 5.415 5.518 ( 1.992 3.728 4.195) 5.956 5.709 ( 7.795 2.129 -3.497) 8.805 5.751 ( -5.208 2.254 -0.556) 5.702 5.918 ( -1.343 8.171 -1.412) 8.400 5.970 ( 2.940 12.649 0.341) 12.991 6.089 ( 1.433 5.342 -2.674) 6.144 6.218 ( -2.790 8.861 5.764) 10.933 6.263 ( -0.123 5.807 2.100) 6.176 6.481 ( -0.740 12.892 -0.369) 12.918 6.521 ( -0.739 -1.385 2.825) 3.231 6.592 ( 1.933 11.594 1.857) 11.900 6.708 ( 1.830 4.963 2.037) 5.669 6.767 ( 0.657 0.787 2.281) 2.501 6.850 ( -0.660 -4.188 0.845) 4.323 6.964 ( 2.083 2.622 0.229) 3.357 7.133 ( 3.987 -2.383 -7.537) 8.853 7.199 ( -0.120 12.233 -0.420) 12.241 7.260 ( -1.475 6.154 -3.141) 7.065 7.388 ( 0.386 -0.710 -2.790) 2.904 7.436 ( 1.919 5.026 0.067) 5.380 7.549 ( -3.504 2.317 1.499) 4.460 7.776 ( 5.810 3.795 5.627) 8.934 7.847 ( 3.272 -8.406 -4.437) 10.053 7.954 ( -3.549 -3.007 2.015) 5.069 8.088 ( -0.565 2.830 -0.313) 2.903 8.201 ( -1.794 -0.813 -0.143) 1.975 8.275 ( 0.426 -1.420 0.211) 1.497 8.342 ( 2.359 -1.610 3.024) 4.159 8.403 ( -1.280 -0.705 -2.692) 3.063 8.576 ( -3.944 -4.800 -0.485) 6.231 8.633 ( 2.257 -5.455 -0.142) 5.905 8.937 ( -0.474 -4.650 0.651) 4.719 9.192 ( 0.100 -4.896 -0.379) 4.912 9.394 ( -0.060 -6.572 -0.014) 6.572 ======================= Grid point 79 (36/77) ======================= q-point: (-0.20 0.15 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -9.453 17.093 2.137) 19.649 0.774 ( -6.778 12.463 -0.423) 14.193 0.867 ( -2.556 5.784 -1.220) 6.440 1.036 ( -5.611 5.265 -0.326) 7.702 1.207 ( -1.839 2.264 -0.696) 2.998 1.294 ( -0.235 1.126 2.115) 2.408 1.462 ( -1.547 7.172 5.068) 8.917 1.517 ( 1.306 0.544 -1.589) 2.127 1.570 ( 3.167 12.904 -0.798) 13.311 1.764 ( -0.644 10.909 -2.734) 11.265 1.874 ( 0.736 5.140 -1.355) 5.366 1.919 ( 3.143 6.982 -5.998) 9.726 1.989 ( -1.354 14.091 2.548) 14.383 2.012 ( 0.567 13.323 0.740) 13.355 2.041 ( -2.874 11.582 2.006) 12.101 2.075 ( 2.152 13.808 -1.397) 14.045 2.175 ( 0.232 6.285 -4.012) 7.460 2.214 ( -3.767 13.566 7.642) 16.019 2.494 ( -0.303 6.569 1.986) 6.869 2.624 ( 1.420 8.696 1.360) 8.916 2.656 ( -0.653 13.714 -0.394) 13.735 2.762 ( -1.827 9.284 -0.687) 9.487 2.906 ( -0.273 8.406 2.849) 8.880 2.978 ( 2.327 7.281 -6.435) 9.992 3.175 ( -1.057 -1.535 -0.557) 1.946 3.321 ( -0.775 1.783 0.214) 1.955 3.454 ( 1.731 4.351 -6.767) 8.229 3.608 ( 3.872 -4.373 2.170) 6.231 4.019 ( -4.666 -0.070 6.221) 7.777 4.338 ( 1.791 -7.161 -1.457) 7.524 4.426 ( -1.995 -2.882 -0.482) 3.538 4.774 ( 5.616 -4.343 -0.780) 7.142 4.872 ( 0.150 -2.760 0.828) 2.885 4.971 ( 0.233 -0.490 -4.837) 4.867 5.119 ( -0.879 -1.788 4.318) 4.756 5.203 ( 0.645 -2.157 0.342) 2.277 5.271 ( -2.765 14.204 -4.022) 15.019 5.393 ( -4.755 6.876 -0.841) 8.402 5.571 ( 0.986 0.951 2.939) 3.243 5.703 ( 0.411 5.672 -3.595) 6.728 5.801 ( 3.301 -1.655 -2.360) 4.382 5.871 ( -1.864 9.260 0.264) 9.449 6.029 ( 2.771 12.302 -2.174) 12.796 6.086 ( -0.425 7.684 -2.158) 7.992 6.235 ( 2.053 11.498 2.096) 11.866 6.290 ( 2.134 5.362 2.694) 6.369 6.448 ( -1.858 11.121 1.078) 11.327 6.527 ( -0.559 -0.054 3.812) 3.853 6.674 ( 3.748 14.136 1.420) 14.694 6.710 ( -1.865 -1.306 2.352) 3.273 6.833 ( 1.560 1.301 2.777) 3.440 6.848 ( 2.400 0.411 -0.916) 2.602 6.995 ( 1.670 -0.362 -1.404) 2.211 7.189 ( -2.535 3.238 -0.115) 4.114 7.211 ( 4.232 3.037 -0.028) 5.209 7.215 ( 2.126 0.843 -6.135) 6.547 7.361 ( 0.876 1.035 -3.171) 3.449 7.442 ( -3.344 4.791 -1.617) 6.062 7.522 ( 2.858 5.122 -2.295) 6.299 7.833 ( -1.800 -5.065 3.407) 6.364 7.903 ( -1.875 -1.545 1.527) 2.870 7.987 ( 9.253 1.507 -0.330) 9.381 8.107 ( 2.167 2.219 2.609) 4.053 8.167 ( -0.910 -1.643 -0.952) 2.105 8.270 ( -1.144 -1.323 -0.393) 1.793 8.325 ( -2.392 -1.360 -3.485) 4.440 8.441 ( 2.958 -0.886 3.091) 4.369 8.492 ( -3.649 -5.300 -0.368) 6.445 8.652 ( -0.251 -5.882 0.010) 5.887 8.931 ( -0.534 -4.121 0.722) 4.217 9.191 ( -0.088 -4.941 0.036) 4.942 9.394 ( -0.047 -5.441 -0.151) 5.443 ======================= Grid point 80 (37/77) ======================= q-point: ( 0.00 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 3.898 5.941 -1.207) 7.208 0.973 ( -4.221 7.028 0.836) 8.240 1.020 ( 1.154 10.476 1.524) 10.649 1.182 ( 0.007 12.555 0.067) 12.555 1.293 ( 1.034 7.672 -3.178) 8.369 1.402 ( 1.314 8.684 0.502) 8.797 1.486 ( -4.216 1.000 2.934) 5.233 1.670 ( 2.328 7.476 3.087) 8.416 1.784 ( 1.044 5.447 -3.217) 6.412 1.861 ( -0.964 4.439 -3.928) 6.005 1.926 ( -0.367 3.958 -5.280) 6.609 2.079 ( 3.633 5.123 -3.545) 7.212 2.176 ( -1.477 7.476 -0.268) 7.626 2.211 ( -0.531 8.147 1.506) 8.302 2.235 ( -1.074 4.222 1.822) 4.722 2.287 ( 1.687 5.999 -1.834) 6.496 2.308 ( 0.219 6.578 -1.123) 6.677 2.479 ( -0.575 3.993 2.256) 4.622 2.697 ( -0.251 5.474 6.195) 8.271 2.787 ( -1.402 18.689 5.419) 19.510 2.840 ( 0.387 2.745 0.909) 2.917 2.986 ( 0.786 8.728 -1.250) 8.852 3.052 ( -5.745 7.718 3.071) 10.099 3.102 ( 1.781 4.837 -0.920) 5.236 3.289 ( -0.416 10.643 -2.209) 10.878 3.427 ( 0.912 8.446 -3.509) 9.191 3.492 ( 0.261 10.017 -2.064) 10.231 3.721 ( 0.852 7.044 1.815) 7.324 4.087 ( 1.252 6.873 1.843) 7.225 4.243 ( 2.411 -5.887 -1.542) 6.546 4.340 ( -1.942 -0.367 -0.692) 2.094 4.708 ( -1.180 -7.253 0.146) 7.350 4.825 ( 1.662 -9.098 1.737) 9.410 4.890 ( -0.696 0.443 -0.674) 1.065 5.022 ( 1.345 0.625 -1.180) 1.895 5.168 ( 0.946 -4.813 1.834) 5.237 5.419 ( -0.996 3.878 1.890) 4.427 5.484 ( -1.690 1.399 0.915) 2.377 5.604 ( -1.127 -0.106 2.197) 2.472 5.716 ( 0.747 1.384 -4.810) 5.061 5.844 ( 1.223 3.561 -0.977) 3.890 6.044 ( -1.286 2.655 -10.263) 10.678 6.099 ( 2.820 6.925 -3.711) 8.347 6.292 ( 0.323 7.500 1.200) 7.602 6.396 ( 1.262 -1.022 4.294) 4.591 6.528 ( -1.884 -1.055 5.304) 5.727 6.587 ( -1.410 0.236 0.295) 1.460 6.628 ( 0.004 9.289 3.180) 9.818 6.700 ( -3.090 6.147 -0.048) 6.880 6.756 ( -3.049 8.738 7.067) 11.645 6.913 ( -0.466 5.888 1.924) 6.212 7.017 ( 0.271 2.888 -0.688) 2.981 7.133 ( -0.721 10.752 -1.468) 10.876 7.177 ( 3.110 7.112 -2.988) 8.318 7.210 ( 1.988 0.419 -5.926) 6.265 7.332 ( 5.374 1.593 -4.441) 7.151 7.437 ( -5.015 4.585 -4.686) 8.254 7.474 ( 1.848 4.071 -1.059) 4.595 7.686 ( 2.986 4.518 1.499) 5.620 7.777 ( -1.967 2.834 0.065) 3.450 7.895 ( -1.839 0.616 4.157) 4.587 8.025 ( -2.195 -0.316 0.476) 2.268 8.083 ( 2.016 -0.597 -1.953) 2.870 8.211 ( -2.289 -0.051 0.791) 2.422 8.238 ( 1.144 0.839 0.999) 1.735 8.323 ( 0.635 -0.049 -0.365) 0.734 8.382 ( 1.033 -0.752 0.810) 1.513 8.453 ( 0.419 -2.835 2.483) 3.792 8.545 ( -0.789 -2.650 -1.013) 2.944 8.841 ( 0.005 -4.687 0.627) 4.729 9.091 ( 0.121 -5.082 0.347) 5.095 9.282 ( -0.077 -5.597 -0.343) 5.608 ======================= Grid point 81 (38/77) ======================= q-point: ( 0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -3.476 4.169 2.113) 5.825 0.986 ( 4.562 7.290 -3.683) 9.355 1.088 ( 4.139 6.306 0.631) 7.569 1.213 ( 3.318 8.654 0.911) 9.313 1.306 ( 1.801 9.066 -2.012) 9.460 1.424 ( -4.745 3.941 5.051) 7.973 1.455 ( 4.044 7.478 -0.100) 8.502 1.714 ( -0.345 10.464 3.050) 10.905 1.768 ( 0.565 1.726 -4.863) 5.191 1.828 ( -0.920 7.265 -3.858) 8.277 1.886 ( 0.340 4.727 -4.370) 6.446 2.096 ( -0.585 3.625 -5.890) 6.941 2.183 ( 3.155 7.188 0.036) 7.851 2.200 ( -0.621 7.903 1.476) 8.063 2.229 ( -1.027 4.454 1.673) 4.868 2.299 ( -0.143 6.105 -1.106) 6.206 2.326 ( 2.494 6.275 -0.641) 6.783 2.485 ( -0.111 3.709 1.796) 4.123 2.704 ( -2.296 4.341 4.894) 6.933 2.822 ( 2.107 16.619 2.836) 16.990 2.891 ( 3.789 4.133 1.834) 5.899 2.936 ( -4.266 9.112 3.205) 10.560 2.995 ( -0.822 9.649 -0.816) 9.718 3.140 ( 0.750 2.944 1.916) 3.592 3.256 ( -2.579 5.285 -0.339) 5.891 3.419 ( -2.430 13.095 0.636) 13.333 3.483 ( 2.345 13.849 -5.848) 15.215 3.740 ( 0.681 8.348 -0.317) 8.382 4.114 ( 0.259 -0.386 0.740) 0.874 4.254 ( 0.334 -1.249 -0.613) 1.430 4.345 ( 2.444 -0.316 -1.503) 2.887 4.646 ( -4.025 -5.861 0.586) 7.134 4.858 ( 0.570 -1.068 1.343) 1.808 4.902 ( 1.137 -3.828 -0.735) 4.061 5.098 ( 4.788 -4.770 0.313) 6.765 5.173 ( 0.378 -3.574 -0.092) 3.595 5.415 ( 0.789 2.600 -0.731) 2.814 5.491 ( 1.131 0.648 3.397) 3.639 5.595 ( -0.838 1.548 1.807) 2.523 5.675 ( -1.958 5.103 -5.653) 7.864 5.863 ( 1.116 1.950 0.813) 2.389 5.975 ( -0.331 3.443 -8.912) 9.560 6.150 ( 3.776 8.649 -1.743) 9.597 6.277 ( -3.004 7.071 0.650) 7.711 6.427 ( -3.160 -10.084 1.065) 10.621 6.440 ( -3.446 -0.066 5.903) 6.835 6.549 ( -2.973 6.521 3.165) 7.834 6.615 ( -2.360 1.033 -1.362) 2.914 6.702 ( -0.666 9.938 6.632) 11.966 6.759 ( 0.759 9.428 2.766) 9.855 6.910 ( -2.020 8.955 1.701) 9.337 6.997 ( -0.377 3.702 -0.293) 3.733 7.106 ( -0.991 13.680 -1.034) 13.754 7.187 ( -3.251 2.395 -4.012) 5.693 7.266 ( 5.489 -0.204 -3.922) 6.749 7.345 ( 3.624 4.531 -4.974) 7.642 7.418 ( 3.166 2.340 -1.398) 4.178 7.499 ( 1.696 4.494 -2.896) 5.609 7.663 ( -4.032 9.108 -2.048) 10.169 7.737 ( -3.794 -1.836 -0.088) 4.216 7.880 ( -2.252 2.767 5.023) 6.161 7.994 ( -2.595 -1.012 3.034) 4.118 8.087 ( 1.071 -0.734 -3.235) 3.486 8.204 ( 0.042 0.494 2.441) 2.491 8.261 ( 1.487 0.920 0.241) 1.765 8.316 ( -1.298 0.981 -0.018) 1.627 8.423 ( 2.309 -2.174 -0.415) 3.198 8.469 ( 0.417 -0.885 1.635) 1.905 8.537 ( 0.507 -3.599 -0.473) 3.665 8.842 ( -0.281 -4.827 0.485) 4.860 9.095 ( 0.201 -5.210 0.195) 5.217 9.269 ( -1.012 -5.974 -0.179) 6.062 ======================= Grid point 82 (39/77) ======================= q-point: ( 0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -1.175 0.014 2.197) 2.491 1.034 ( 2.981 6.436 -4.369) 8.330 1.157 ( 3.076 3.578 1.706) 5.018 1.276 ( 1.690 2.663 0.930) 3.288 1.323 ( -0.122 10.468 -1.168) 10.534 1.362 ( -4.146 2.574 5.113) 7.068 1.517 ( 2.075 10.945 -1.406) 11.228 1.697 ( -0.715 12.639 1.391) 12.735 1.766 ( -0.270 7.246 -3.815) 8.194 1.799 ( 1.909 2.299 -3.536) 4.629 1.924 ( 5.198 4.858 -4.427) 8.380 2.039 ( -2.405 5.080 -3.847) 6.811 2.173 ( -2.803 2.730 -3.635) 5.341 2.212 ( 0.408 8.562 -0.790) 8.608 2.224 ( 0.003 6.728 0.936) 6.792 2.323 ( 1.368 7.182 2.965) 7.889 2.366 ( 1.824 6.448 -0.017) 6.701 2.508 ( 2.636 2.879 1.781) 4.291 2.660 ( -3.946 1.203 1.227) 4.304 2.815 ( -2.320 6.073 1.433) 6.657 2.902 ( -1.871 12.926 -0.646) 13.077 3.000 ( 2.668 11.607 2.724) 12.217 3.028 ( 6.080 13.348 4.156) 15.245 3.134 ( -3.507 1.560 3.813) 5.411 3.198 ( -3.369 4.089 2.802) 5.994 3.379 ( -1.188 12.699 1.829) 12.885 3.509 ( 2.595 11.816 -4.374) 12.864 3.741 ( 0.555 12.732 -4.306) 13.452 4.091 ( -2.021 -8.506 -2.075) 8.985 4.258 ( -0.077 4.638 -0.606) 4.678 4.385 ( 2.272 -0.532 -0.254) 2.348 4.601 ( -0.959 -4.135 0.215) 4.250 4.877 ( -1.553 -1.684 1.860) 2.951 4.899 ( 1.296 -1.588 1.404) 2.485 5.096 ( -2.014 -2.353 -2.062) 3.721 5.208 ( 0.362 -5.897 0.493) 5.929 5.464 ( 3.715 -0.973 -2.159) 4.406 5.532 ( 1.522 -1.273 2.314) 3.048 5.594 ( 1.338 3.352 -1.571) 3.937 5.636 ( 0.381 8.758 -2.597) 9.143 5.878 ( 0.381 -0.750 -3.159) 3.269 5.956 ( 1.222 5.306 -0.478) 5.465 6.144 ( -3.192 3.726 -2.446) 5.483 6.266 ( 2.338 1.581 2.147) 3.547 6.356 ( -2.940 8.130 0.488) 8.659 6.431 ( -4.607 -1.493 7.788) 9.171 6.522 ( -3.803 5.398 6.630) 9.358 6.588 ( 3.329 -5.166 -6.697) 9.089 6.723 ( -0.782 9.516 7.617) 12.214 6.779 ( 0.872 7.578 -0.805) 7.671 6.886 ( -0.228 12.919 -0.354) 12.926 6.990 ( -1.554 1.968 4.328) 5.002 7.068 ( -3.465 14.371 0.480) 14.791 7.123 ( 0.942 2.739 -5.916) 6.587 7.309 ( 2.183 2.461 -5.262) 6.206 7.428 ( 3.514 3.895 -1.772) 5.538 7.478 ( 3.189 2.248 -3.982) 5.575 7.501 ( -0.050 6.730 0.372) 6.740 7.589 ( -0.845 4.239 -0.685) 4.377 7.659 ( -1.530 -1.854 -5.159) 5.692 7.860 ( -2.240 5.054 4.131) 6.901 7.956 ( -3.560 -0.722 4.279) 5.613 8.110 ( 2.652 -0.517 -2.146) 3.450 8.206 ( -1.664 0.018 3.030) 3.457 8.275 ( -1.588 0.684 0.867) 1.934 8.305 ( 1.250 0.767 -0.385) 1.516 8.428 ( -0.440 0.348 -0.862) 1.028 8.507 ( 2.500 -2.005 0.502) 3.244 8.543 ( -0.301 -2.714 -0.204) 2.738 8.837 ( -0.378 -5.232 0.249) 5.252 9.098 ( -0.011 -4.639 -0.130) 4.641 9.252 ( -0.635 -6.953 0.141) 6.983 ======================= Grid point 83 (40/77) ======================= q-point: (-0.40 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -0.687 -0.128 2.238) 2.344 1.040 ( -0.010 4.577 -4.455) 6.387 1.191 ( -2.439 8.028 1.591) 8.540 1.232 ( -3.895 4.233 0.900) 5.822 1.313 ( -0.308 3.892 0.576) 3.946 1.358 ( 0.778 5.365 2.726) 6.068 1.516 ( -0.677 11.727 -0.395) 11.753 1.687 ( -2.311 11.595 0.728) 11.845 1.758 ( 1.670 6.439 -3.646) 7.585 1.836 ( 3.413 2.978 -3.221) 5.558 1.977 ( 0.692 3.699 -6.999) 7.946 2.012 ( 3.682 6.693 -2.648) 8.085 2.110 ( -0.687 2.223 -1.453) 2.744 2.212 ( -0.014 8.562 -0.488) 8.576 2.230 ( -0.111 7.661 1.229) 7.760 2.336 ( -1.046 7.489 2.033) 7.830 2.367 ( -1.714 6.069 0.055) 6.307 2.556 ( -1.898 2.932 0.550) 3.535 2.620 ( 0.865 0.727 1.797) 2.122 2.813 ( 0.867 8.832 2.009) 9.099 2.854 ( -1.328 13.570 0.388) 13.640 3.017 ( -8.281 11.905 3.336) 14.881 3.051 ( 2.079 3.046 0.559) 3.730 3.154 ( 1.631 6.841 5.394) 8.863 3.213 ( 2.601 12.773 2.688) 13.310 3.409 ( 2.512 5.837 3.223) 7.125 3.511 ( -0.212 7.144 -4.575) 8.486 3.719 ( 0.188 15.238 -5.621) 16.243 4.047 ( -0.912 -4.638 -1.911) 5.099 4.242 ( -1.416 2.222 -0.182) 2.641 4.408 ( 0.286 -0.506 -0.787) 0.978 4.615 ( 2.150 -4.364 -0.052) 4.865 4.834 ( -2.588 -2.975 1.212) 4.125 4.967 ( 3.008 -0.440 3.375) 4.542 5.046 ( -1.726 -2.916 -2.559) 4.246 5.182 ( -3.321 -5.699 0.476) 6.613 5.471 ( -0.664 -1.053 -2.120) 2.458 5.531 ( -1.908 1.055 1.611) 2.710 5.610 ( 0.824 5.836 -2.395) 6.362 5.682 ( 3.906 0.622 -1.518) 4.237 5.849 ( -0.991 2.728 -3.811) 4.790 6.011 ( 4.818 6.673 1.370) 8.343 6.109 ( 0.127 -0.953 -2.872) 3.028 6.229 ( -4.325 0.920 0.114) 4.423 6.391 ( 0.425 12.111 1.225) 12.180 6.399 ( 0.989 4.515 6.584) 8.045 6.492 ( -1.389 1.295 5.313) 5.643 6.653 ( 4.983 -4.955 -3.692) 7.938 6.752 ( 0.018 7.517 8.057) 11.020 6.777 ( -0.157 8.703 -2.296) 9.002 6.891 ( -0.045 10.826 0.714) 10.849 6.997 ( -2.705 1.795 7.362) 8.046 7.045 ( 3.217 13.508 -1.758) 13.996 7.125 ( 2.785 4.219 -6.036) 7.873 7.289 ( -1.759 1.576 -5.652) 6.125 7.391 ( -3.537 5.008 -4.266) 7.469 7.467 ( -1.868 6.028 -0.873) 6.371 7.511 ( 2.729 3.967 0.543) 4.846 7.606 ( -0.284 2.755 -2.989) 4.075 7.714 ( 8.197 -2.744 -4.737) 9.857 7.870 ( 1.746 4.700 3.984) 6.404 7.922 ( -1.838 0.295 3.752) 4.188 8.145 ( 1.168 2.644 1.647) 3.327 8.175 ( -2.538 -1.145 0.095) 2.786 8.259 ( 0.215 0.139 0.669) 0.716 8.309 ( -1.115 -1.318 0.385) 1.769 8.425 ( 0.292 2.054 -0.670) 2.180 8.492 ( -3.829 -2.573 0.092) 4.614 8.558 ( 1.469 -2.333 0.016) 2.757 8.834 ( -0.072 -5.323 0.252) 5.330 9.093 ( -0.345 -4.631 -0.118) 4.646 9.255 ( 0.868 -6.831 0.130) 6.887 ======================= Grid point 84 (41/77) ======================= q-point: (-0.20 0.23 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.675 2.927 1.191) 3.231 1.001 ( -1.434 6.370 -2.474) 6.983 1.094 ( -6.801 10.270 1.464) 12.405 1.198 ( -1.580 10.243 0.190) 10.366 1.301 ( -0.404 6.116 -1.745) 6.373 1.390 ( 0.428 6.933 1.396) 7.085 1.518 ( -0.202 3.052 2.706) 4.084 1.643 ( -1.726 9.810 1.282) 10.043 1.769 ( 1.866 6.232 -3.469) 7.373 1.875 ( 2.101 4.057 -3.693) 5.875 1.949 ( 0.290 4.030 -5.767) 7.041 2.046 ( 2.803 6.079 -5.343) 8.565 2.156 ( 3.097 2.936 3.891) 5.775 2.205 ( -1.019 8.321 0.598) 8.405 2.240 ( 0.560 8.140 1.735) 8.342 2.308 ( -2.000 6.929 -3.175) 7.880 2.325 ( -2.045 5.950 0.408) 6.304 2.498 ( -2.679 3.723 0.378) 4.602 2.661 ( 1.065 1.505 4.645) 4.998 2.802 ( -2.339 14.134 3.689) 14.794 2.881 ( -4.140 9.799 1.866) 10.800 2.926 ( 3.004 10.766 1.477) 11.275 3.087 ( 1.385 2.783 -0.941) 3.248 3.138 ( -4.999 7.918 4.672) 10.465 3.277 ( 2.980 16.530 -1.136) 16.834 3.452 ( -0.742 -2.936 -2.436) 3.887 3.476 ( 1.249 10.723 -1.823) 10.949 3.706 ( 0.533 12.096 -1.612) 12.215 4.055 ( 1.554 2.840 0.946) 3.373 4.220 ( -0.027 -2.302 -0.980) 2.502 4.387 ( -2.022 -0.755 -0.958) 2.361 4.667 ( 3.558 -5.953 0.027) 6.935 4.813 ( -0.413 -4.627 1.132) 4.781 4.943 ( -4.059 -1.101 -1.077) 4.341 5.060 ( -2.290 -2.880 1.694) 4.050 5.125 ( 0.923 -4.230 0.240) 4.336 5.439 ( -1.539 2.711 -1.232) 3.353 5.513 ( -1.466 0.329 1.389) 2.046 5.610 ( -0.781 1.504 2.018) 2.635 5.713 ( 1.211 1.575 -2.142) 2.922 5.829 ( 1.222 3.233 -3.634) 5.015 6.079 ( 0.867 -2.351 -5.313) 5.874 6.098 ( 1.532 10.518 -3.746) 11.270 6.237 ( 4.754 2.993 0.703) 5.661 6.372 ( -1.564 5.766 3.504) 6.926 6.476 ( 2.798 7.060 5.110) 9.153 6.530 ( 2.838 0.705 2.098) 3.599 6.683 ( -1.361 0.725 0.651) 1.673 6.755 ( -1.713 9.272 -2.359) 9.719 6.767 ( -3.227 4.261 8.693) 10.204 6.914 ( 1.121 6.239 3.432) 7.208 6.982 ( -0.110 3.418 2.132) 4.030 7.113 ( 3.874 16.140 -1.085) 16.634 7.179 ( 3.604 -2.287 -4.429) 6.152 7.210 ( -0.636 2.284 -6.696) 7.103 7.310 ( -2.275 6.819 -5.636) 9.134 7.452 ( 0.610 3.963 -0.582) 4.052 7.538 ( -2.809 4.347 -1.920) 5.520 7.601 ( 4.144 2.584 -0.790) 4.947 7.787 ( 2.250 2.231 -2.914) 4.304 7.894 ( -0.915 0.881 4.452) 4.630 7.990 ( 5.355 -0.697 2.408) 5.912 8.107 ( -3.962 0.014 -0.534) 3.998 8.191 ( 2.366 2.358 2.095) 3.943 8.264 ( -2.150 0.290 -0.574) 2.244 8.297 ( 1.617 -1.432 0.308) 2.182 8.407 ( -3.082 -2.672 -0.456) 4.104 8.439 ( -0.589 0.992 1.690) 2.046 8.564 ( -0.629 -2.886 -0.342) 2.974 8.837 ( 0.138 -5.036 0.492) 5.062 9.089 ( -0.102 -4.864 0.193) 4.868 9.274 ( 0.973 -6.062 -0.172) 6.142 ======================= Grid point 85 (42/77) ======================= q-point: ( 0.00 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 4.268 -0.778 -0.161) 4.341 1.051 ( -2.695 3.258 0.130) 4.231 1.142 ( -1.089 3.872 -2.818) 4.911 1.373 ( 0.391 -2.568 3.498) 4.357 1.429 ( 0.488 10.727 -0.708) 10.762 1.503 ( 0.313 6.794 -2.380) 7.206 1.676 ( 0.358 10.367 -0.376) 10.380 1.752 ( -0.235 4.451 -2.864) 5.298 1.928 ( -0.324 2.546 0.092) 2.568 1.958 ( 0.597 8.809 0.911) 8.876 2.038 ( 0.196 5.867 -5.310) 7.916 2.172 ( -0.770 1.079 1.850) 2.276 2.243 ( 1.633 4.525 -0.102) 4.812 2.307 ( 0.528 2.658 -0.893) 2.853 2.336 ( -0.558 -1.419 -0.263) 1.547 2.345 ( -1.129 3.018 0.728) 3.303 2.401 ( -1.144 4.103 -1.509) 4.519 2.479 ( 1.064 -1.223 0.603) 1.730 2.677 ( 1.345 -4.105 8.557) 9.585 2.830 ( -1.517 -1.044 0.990) 2.091 3.042 ( -3.609 -0.943 -3.450) 5.081 3.086 ( 0.252 4.369 1.819) 4.739 3.197 ( 0.849 9.501 -2.551) 9.874 3.404 ( 0.707 17.924 3.515) 18.279 3.457 ( -2.991 8.219 0.844) 8.787 3.645 ( 3.898 8.274 -5.807) 10.834 3.725 ( 2.169 11.615 2.987) 12.187 3.913 ( -1.359 9.933 3.430) 10.596 4.170 ( 1.058 0.191 -0.462) 1.170 4.247 ( -0.207 6.937 -0.035) 6.941 4.370 ( -0.258 3.109 -0.452) 3.152 4.550 ( -3.470 -8.397 1.257) 9.172 4.573 ( 2.189 -14.303 3.853) 14.974 4.901 ( -0.989 0.861 -3.496) 3.734 5.027 ( 1.271 -7.420 -1.076) 7.605 5.094 ( 2.314 3.755 1.900) 4.803 5.422 ( -1.031 -0.831 0.395) 1.382 5.526 ( -3.514 4.030 2.939) 6.101 5.586 ( 2.540 0.563 1.094) 2.822 5.801 ( 0.535 5.042 -6.935) 8.591 5.877 ( 1.429 -0.361 -3.578) 3.870 6.084 ( 0.389 0.417 0.125) 0.584 6.146 ( 1.903 -1.929 -1.976) 3.353 6.294 ( -4.263 -6.283 -1.224) 7.691 6.425 ( -3.130 4.013 2.817) 5.817 6.478 ( 0.980 2.024 3.170) 3.887 6.670 ( 0.070 4.167 -0.474) 4.194 6.726 ( -1.099 5.669 0.131) 5.776 6.839 ( -1.115 3.004 -2.191) 3.882 6.936 ( 2.214 4.785 1.119) 5.390 7.009 ( 0.096 1.717 4.572) 4.885 7.061 ( -0.639 2.646 0.645) 2.797 7.147 ( 2.740 -1.087 -4.002) 4.970 7.257 ( -0.522 6.505 -3.472) 7.392 7.404 ( 1.156 4.487 4.260) 6.294 7.514 ( 0.280 13.359 -2.671) 13.627 7.535 ( -3.455 6.117 -1.777) 7.247 7.595 ( 2.541 8.278 -6.078) 10.580 7.724 ( 0.675 1.505 3.441) 3.816 7.860 ( -0.198 2.883 -2.439) 3.782 7.941 ( -0.845 3.689 2.897) 4.766 8.050 ( 3.311 -1.206 1.822) 3.967 8.094 ( -2.735 3.665 -1.732) 4.890 8.197 ( -0.983 -0.960 0.130) 1.380 8.266 ( 0.398 2.491 2.047) 3.248 8.312 ( -0.488 0.080 0.936) 1.059 8.382 ( 1.327 0.288 1.671) 2.153 8.455 ( -0.313 2.274 0.333) 2.320 8.509 ( -0.638 -0.931 -1.402) 1.800 8.747 ( 0.162 -4.229 0.606) 4.275 9.000 ( -0.073 -3.518 0.141) 3.522 9.169 ( 0.036 -5.227 -0.130) 5.228 ======================= Grid point 86 (43/77) ======================= q-point: ( 0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( -6.101 1.480 3.669) 7.271 1.080 ( 4.181 -1.464 -2.992) 5.345 1.125 ( 0.681 4.044 -2.417) 4.761 1.355 ( -2.457 0.757 1.874) 3.182 1.446 ( 0.714 7.687 0.644) 7.746 1.524 ( 2.024 7.860 -1.486) 8.251 1.708 ( 3.485 8.800 -0.682) 9.489 1.747 ( 1.359 4.018 -3.143) 5.280 1.939 ( 1.313 2.282 0.366) 2.658 1.967 ( 0.074 9.721 0.436) 9.731 2.010 ( 0.032 7.416 -5.118) 9.011 2.156 ( -1.414 2.710 -0.019) 3.057 2.269 ( 1.397 1.713 0.099) 2.213 2.311 ( -2.625 3.152 -0.377) 4.119 2.326 ( 1.336 -1.317 0.070) 1.877 2.341 ( 1.641 2.856 0.003) 3.294 2.384 ( -0.294 2.993 0.320) 3.024 2.501 ( 0.829 -0.576 -0.176) 1.024 2.689 ( -4.475 -3.242 6.271) 8.358 2.841 ( 0.619 -3.014 3.745) 4.847 2.955 ( -2.340 -1.608 -2.491) 3.777 3.111 ( 0.883 4.082 1.906) 4.590 3.196 ( 0.131 9.192 -3.096) 9.700 3.410 ( -2.626 12.567 4.113) 13.482 3.435 ( 1.172 15.643 -0.394) 15.692 3.677 ( 1.869 6.350 -5.402) 8.543 3.729 ( -1.750 11.968 0.678) 12.114 3.937 ( 1.050 9.296 3.827) 10.107 4.109 ( -3.520 4.088 -0.500) 5.418 4.319 ( 4.868 4.053 -2.246) 6.721 4.388 ( 2.029 3.953 0.385) 4.460 4.498 ( -2.583 -8.906 2.137) 9.516 4.669 ( 5.388 -14.333 3.114) 15.626 4.866 ( -1.889 -2.237 -1.195) 3.163 5.038 ( -0.521 -1.169 0.050) 1.281 5.112 ( 0.471 -1.043 -0.292) 1.181 5.417 ( 1.362 -0.835 -0.987) 1.878 5.494 ( -1.603 3.281 3.343) 4.950 5.664 ( 3.470 4.032 2.099) 5.719 5.783 ( 1.904 5.172 -7.429) 9.250 5.876 ( 0.623 -0.633 -2.985) 3.114 6.076 ( -1.073 3.189 -2.133) 3.983 6.186 ( 3.075 -2.002 -0.325) 3.684 6.212 ( -3.419 -7.624 -0.113) 8.356 6.382 ( -3.232 1.837 -0.065) 3.719 6.470 ( -4.457 2.900 4.112) 6.722 6.608 ( -4.821 1.989 4.453) 6.857 6.695 ( 0.682 6.120 -1.820) 6.422 6.865 ( 3.301 4.246 -3.693) 6.524 6.949 ( -2.809 7.712 4.542) 9.380 7.014 ( -4.062 -2.436 4.956) 6.855 7.059 ( 2.429 4.504 -1.812) 5.428 7.161 ( 0.004 -1.028 -3.040) 3.209 7.289 ( 6.085 5.958 -3.937) 9.382 7.435 ( -0.708 9.539 3.027) 10.033 7.466 ( -1.002 5.495 -0.674) 5.626 7.523 ( 1.511 9.202 -1.832) 9.504 7.610 ( 1.440 6.756 -5.562) 8.869 7.722 ( -2.192 2.522 1.747) 3.771 7.817 ( -2.714 4.058 -3.672) 6.108 7.958 ( 0.144 3.907 3.657) 5.353 8.025 ( -3.750 3.460 2.980) 5.909 8.084 ( 0.872 0.380 -3.342) 3.475 8.215 ( 1.750 -0.010 1.166) 2.102 8.273 ( -0.428 1.561 1.793) 2.416 8.322 ( 0.383 0.476 0.983) 1.158 8.412 ( 1.580 -0.216 1.037) 1.902 8.482 ( 1.392 2.388 0.454) 2.801 8.491 ( 0.697 -1.191 -1.315) 1.906 8.746 ( -0.462 -4.211 0.332) 4.249 9.003 ( 0.381 -3.649 0.219) 3.676 9.153 ( -1.753 -5.331 -0.151) 5.614 ======================= Grid point 87 (44/77) ======================= q-point: ( 0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -3.670 1.848 5.246) 6.664 1.124 ( 2.807 -3.614 -0.746) 4.636 1.138 ( 1.557 3.790 -3.319) 5.273 1.311 ( -3.172 0.026 -0.215) 3.179 1.455 ( -0.456 6.760 1.538) 6.948 1.541 ( 0.821 9.303 -0.900) 9.383 1.752 ( 1.659 -0.083 -4.176) 4.494 1.784 ( 3.678 11.860 0.164) 12.419 1.929 ( -1.174 8.066 -0.556) 8.170 1.990 ( -0.014 8.941 -3.688) 9.672 2.013 ( 4.066 3.978 -1.175) 5.809 2.128 ( -1.193 4.552 -0.949) 4.800 2.250 ( -2.855 4.926 -2.934) 6.405 2.290 ( 0.571 0.429 0.732) 1.023 2.343 ( 0.270 -2.446 -0.268) 2.475 2.378 ( -0.016 1.887 1.622) 2.488 2.412 ( 3.428 2.059 2.928) 4.957 2.506 ( 0.123 -1.694 -0.054) 1.699 2.620 ( -3.895 -1.411 0.748) 4.210 2.838 ( -2.284 -3.184 6.312) 7.429 2.964 ( 1.154 -4.520 0.324) 4.676 3.118 ( -0.842 2.332 2.396) 3.448 3.180 ( 0.529 8.689 -2.635) 9.095 3.404 ( -0.611 10.032 3.019) 10.494 3.452 ( 1.106 18.623 -0.067) 18.656 3.644 ( -2.020 6.107 -3.963) 7.555 3.707 ( -0.145 9.680 -2.925) 10.113 3.958 ( -0.833 7.500 4.279) 8.675 4.083 ( 0.320 9.773 -1.373) 9.875 4.350 ( 1.215 3.035 -3.839) 5.042 4.436 ( 1.972 4.458 0.484) 4.899 4.477 ( -0.917 -8.363 1.750) 8.593 4.746 ( 0.472 -11.282 1.517) 11.393 4.844 ( 0.352 -4.332 2.046) 4.803 5.008 ( -2.746 -3.269 2.222) 4.813 5.122 ( 0.314 -1.526 -1.779) 2.365 5.452 ( 1.688 -0.966 1.034) 2.202 5.497 ( 0.895 3.399 0.272) 3.525 5.690 ( 0.654 4.448 -3.655) 5.794 5.801 ( 2.143 6.212 -4.667) 8.060 5.886 ( 1.896 1.448 -1.185) 2.664 6.056 ( 0.713 3.239 -1.036) 3.474 6.130 ( -4.754 -2.822 -1.147) 5.646 6.260 ( 1.621 -1.432 5.805) 6.195 6.319 ( -0.707 -2.823 -0.811) 3.021 6.413 ( -2.739 -1.864 -0.523) 3.354 6.598 ( 0.634 2.539 3.387) 4.280 6.706 ( -0.143 10.137 0.571) 10.154 6.895 ( 1.044 3.728 -0.261) 3.881 6.924 ( -0.993 5.235 2.955) 6.093 6.952 ( -4.060 -0.696 3.681) 5.525 7.094 ( 1.970 7.293 -1.745) 7.753 7.133 ( -1.562 -0.508 -0.821) 1.836 7.353 ( 1.930 3.588 -4.504) 6.074 7.407 ( -1.859 12.265 -0.304) 12.409 7.518 ( 3.839 3.384 0.403) 5.133 7.553 ( 3.253 4.422 0.328) 5.499 7.598 ( 0.756 6.847 -2.759) 7.420 7.677 ( -2.538 7.524 -0.401) 7.951 7.749 ( -2.010 5.129 -5.539) 7.812 7.945 ( -2.332 2.517 1.974) 3.959 8.000 ( -1.943 4.691 3.919) 6.414 8.104 ( 3.360 0.192 -2.695) 4.312 8.232 ( -1.139 1.684 2.460) 3.191 8.272 ( -0.660 -0.181 0.953) 1.174 8.323 ( -0.655 1.471 0.883) 1.836 8.453 ( 2.611 0.160 -0.129) 2.619 8.473 ( -0.990 -0.438 0.165) 1.095 8.531 ( 1.562 1.345 -0.020) 2.061 8.737 ( -0.534 -4.263 -0.104) 4.297 9.014 ( 0.459 -3.444 -0.066) 3.475 9.119 ( -1.376 -5.957 0.160) 6.116 ======================= Grid point 88 (45/77) ======================= q-point: (-0.40 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.882 ( -0.306 1.717 5.145) 5.432 1.122 ( -0.466 2.832 -4.554) 5.383 1.199 ( 4.502 -2.636 1.760) 5.506 1.248 ( -2.934 -0.435 -1.330) 3.250 1.448 ( -0.887 7.628 1.157) 7.766 1.547 ( 0.111 9.440 -0.717) 9.468 1.739 ( -1.187 2.899 -3.039) 4.365 1.819 ( -0.012 9.893 -1.502) 10.006 1.920 ( 0.428 8.158 -0.736) 8.202 1.971 ( -0.838 6.767 -0.704) 6.855 2.049 ( 1.306 3.377 -4.584) 5.841 2.131 ( 1.681 4.403 1.899) 5.082 2.203 ( 0.081 8.224 -4.012) 9.151 2.303 ( 0.449 0.256 0.993) 1.120 2.331 ( -0.627 -1.024 -1.142) 1.657 2.374 ( -1.264 -0.105 2.503) 2.806 2.454 ( -0.539 1.743 2.530) 3.119 2.533 ( 2.311 -3.616 2.266) 4.853 2.564 ( -3.389 -0.472 -1.867) 3.898 2.852 ( -0.142 -3.478 5.173) 6.235 2.976 ( 2.187 -1.233 1.156) 2.764 3.116 ( -1.251 2.338 1.254) 2.933 3.202 ( 2.246 5.625 -0.481) 6.076 3.399 ( -1.397 15.671 2.620) 15.949 3.483 ( 1.808 12.186 1.681) 12.434 3.590 ( -0.843 5.578 -6.087) 8.299 3.688 ( -0.452 9.671 -3.044) 10.149 3.959 ( -1.379 8.105 4.026) 9.154 4.083 ( 0.369 9.971 -0.453) 9.988 4.336 ( -0.830 4.629 -3.277) 5.732 4.446 ( -0.631 4.723 -1.412) 4.970 4.486 ( 0.901 -9.811 1.880) 10.030 4.716 ( -3.940 -9.201 2.091) 10.225 4.888 ( 3.094 -7.194 2.007) 8.084 4.967 ( -2.876 -2.564 2.081) 4.379 5.100 ( -1.531 -1.603 -1.372) 2.607 5.477 ( -0.140 -0.273 2.061) 2.083 5.499 ( -0.784 3.626 -0.488) 3.742 5.677 ( -0.263 2.359 -3.783) 4.466 5.801 ( 1.682 6.497 -5.776) 8.854 5.906 ( -0.111 3.276 -0.432) 3.306 6.049 ( -0.687 -0.333 -0.672) 1.017 6.136 ( 5.737 -0.593 -0.876) 5.834 6.258 ( -3.686 1.360 1.114) 4.083 6.334 ( 1.915 -3.202 4.977) 6.220 6.424 ( 3.945 -2.489 -1.218) 4.821 6.657 ( 4.543 1.921 -0.477) 4.956 6.674 ( -3.992 8.306 3.357) 9.808 6.900 ( -1.354 6.403 2.890) 7.154 6.924 ( -0.116 5.713 -1.081) 5.815 6.939 ( -0.151 -2.352 4.727) 5.282 7.079 ( -1.048 3.340 -1.919) 3.993 7.141 ( 1.589 3.951 -0.757) 4.326 7.334 ( -0.567 2.288 -4.083) 4.715 7.373 ( -1.583 9.765 -0.513) 9.906 7.513 ( -1.703 8.244 0.863) 8.462 7.617 ( 0.022 6.872 0.723) 6.910 7.631 ( 2.911 8.877 -3.898) 10.122 7.666 ( -0.890 3.789 -1.425) 4.145 7.731 ( 7.152 3.046 -4.401) 8.933 7.920 ( -1.816 1.410 3.071) 3.836 7.985 ( -0.870 4.021 1.075) 4.252 8.155 ( 2.683 0.130 -1.875) 3.276 8.217 ( -1.332 3.263 3.844) 5.215 8.254 ( -1.626 -0.897 0.634) 1.963 8.315 ( -0.577 2.304 0.654) 2.464 8.438 ( -3.100 -0.623 -0.096) 3.163 8.493 ( 1.394 0.924 0.282) 1.696 8.535 ( -0.947 0.793 -0.084) 1.238 8.731 ( 0.043 -4.365 -0.107) 4.366 9.008 ( -0.716 -3.547 -0.053) 3.619 9.124 ( 1.566 -5.880 0.145) 6.086 ======================= Grid point 89 (46/77) ======================= q-point: (-0.20 0.31 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 2.421 1.217 2.399) 3.619 1.087 ( -1.213 3.234 -2.274) 4.135 1.187 ( -1.998 1.572 -3.186) 4.076 1.302 ( 4.495 -2.497 3.276) 6.097 1.438 ( -0.679 8.557 0.271) 8.588 1.531 ( -1.375 8.353 -1.383) 8.578 1.695 ( -1.760 6.935 -1.716) 7.358 1.784 ( -1.760 7.782 -2.643) 8.405 1.927 ( 0.435 9.017 -0.042) 9.027 1.956 ( -0.816 2.930 0.835) 3.154 2.048 ( 1.588 5.110 -5.796) 7.889 2.166 ( 0.155 0.519 3.106) 3.153 2.212 ( 2.181 8.817 -1.949) 9.289 2.309 ( -0.268 0.383 0.485) 0.674 2.332 ( 1.118 0.545 -0.635) 1.397 2.362 ( -1.361 0.406 1.759) 2.261 2.438 ( -1.973 4.116 -0.256) 4.572 2.486 ( -2.575 -1.600 -1.493) 3.379 2.599 ( 3.116 -3.728 4.627) 6.709 2.855 ( -1.789 -2.370 3.145) 4.325 3.053 ( 3.391 0.077 0.678) 3.459 3.092 ( -1.423 3.244 0.906) 3.657 3.211 ( -0.654 6.553 -2.038) 6.894 3.389 ( -1.084 17.984 3.304) 18.317 3.498 ( -1.274 4.619 -0.775) 4.853 3.597 ( 4.043 13.224 -1.717) 13.934 3.671 ( 1.143 8.042 -2.237) 8.426 3.941 ( -2.800 9.863 3.407) 10.804 4.109 ( 2.859 5.088 0.578) 5.865 4.293 ( -2.184 6.060 -2.270) 6.830 4.408 ( -2.729 3.166 -0.820) 4.259 4.516 ( 1.449 -9.789 2.147) 10.125 4.637 ( -5.829 -11.315 2.640) 12.999 4.929 ( 0.100 -1.589 -2.923) 3.328 4.983 ( 3.615 -5.348 4.143) 7.670 5.064 ( -0.907 -0.223 -2.076) 2.277 5.447 ( -3.183 -0.634 3.347) 4.662 5.510 ( 2.117 4.438 -0.599) 4.953 5.630 ( -3.802 1.610 -0.986) 4.245 5.815 ( 2.102 4.987 -5.247) 7.538 5.878 ( -0.812 1.840 -2.940) 3.562 6.064 ( 1.849 1.055 0.170) 2.136 6.155 ( -2.515 -5.103 -0.207) 5.692 6.294 ( 6.596 1.895 -3.902) 7.895 6.418 ( 3.039 -1.854 4.411) 5.668 6.463 ( -1.078 0.784 3.167) 3.436 6.637 ( 0.414 7.711 1.421) 7.852 6.714 ( 1.531 1.050 -1.471) 2.369 6.882 ( -0.375 4.789 -2.647) 5.484 6.917 ( -1.193 6.018 2.746) 6.721 6.971 ( 1.129 -1.436 5.244) 5.553 7.064 ( -0.326 2.747 -0.387) 2.794 7.144 ( 0.131 2.886 -3.210) 4.318 7.301 ( -1.333 4.345 -4.559) 6.438 7.365 ( 0.655 5.956 2.910) 6.661 7.508 ( 0.705 11.640 0.299) 11.665 7.586 ( -1.256 11.169 -4.599) 12.144 7.623 ( -1.572 3.894 -4.277) 5.994 7.677 ( 2.348 4.494 2.372) 5.598 7.847 ( 4.382 2.405 -2.946) 5.802 7.926 ( 1.734 0.989 2.414) 3.132 7.983 ( 0.330 0.772 2.185) 2.341 8.147 ( -1.831 3.418 -1.835) 4.289 8.227 ( -1.693 -2.082 0.618) 2.754 8.242 ( 0.709 2.004 3.375) 3.988 8.316 ( 0.276 2.629 1.183) 2.896 8.378 ( -2.547 -0.337 0.007) 2.569 8.486 ( -2.413 3.197 0.479) 4.034 8.520 ( -0.018 -1.706 -0.762) 1.868 8.737 ( 0.492 -4.338 0.346) 4.379 9.001 ( -0.154 -3.527 0.215) 3.537 9.155 ( 1.539 -5.473 -0.148) 5.688 ======================= Grid point 90 (47/77) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 1.110 -2.031 0.358) 2.342 1.089 ( -1.274 -0.276 -0.478) 1.389 1.211 ( -0.764 2.228 -1.090) 2.595 1.286 ( 1.745 -4.098 1.644) 4.748 1.625 ( 2.031 8.276 -0.586) 8.541 1.646 ( -1.789 6.801 -1.306) 7.153 1.761 ( 0.085 2.950 -2.646) 3.964 1.907 ( -0.849 3.024 -3.223) 4.500 1.988 ( -0.494 7.182 1.059) 7.277 2.081 ( 0.239 1.301 3.210) 3.472 2.124 ( 0.586 -1.690 1.330) 2.229 2.159 ( -0.217 3.470 -2.242) 4.137 2.231 ( -0.690 -3.721 -1.064) 3.931 2.298 ( 0.134 0.202 1.845) 1.861 2.365 ( -0.792 -1.325 0.546) 1.638 2.427 ( -0.683 2.986 -1.403) 3.369 2.442 ( -0.875 0.848 3.224) 3.447 2.491 ( 1.879 3.379 -1.637) 4.199 2.599 ( 1.122 -2.444 5.098) 5.764 2.846 ( 0.698 2.444 0.182) 2.548 2.917 ( -3.013 -6.704 -4.111) 8.421 3.188 ( 0.841 2.608 2.885) 3.979 3.348 ( 0.701 5.194 -2.364) 5.749 3.485 ( 0.785 -2.835 -6.790) 7.400 3.726 ( 3.030 10.490 1.679) 11.047 3.794 ( -2.459 7.019 0.357) 7.446 3.902 ( 2.589 5.085 4.394) 7.202 4.077 ( -1.194 4.247 5.794) 7.282 4.168 ( -1.488 -6.516 2.678) 7.200 4.290 ( -3.932 4.034 2.101) 6.013 4.360 ( 1.617 -6.805 -0.397) 7.006 4.434 ( -0.908 0.032 0.486) 1.031 4.474 ( 0.812 5.608 0.404) 5.681 4.822 ( -1.577 -8.408 -0.533) 8.571 4.981 ( 5.221 4.476 -6.584) 9.520 5.168 ( 3.485 2.148 -1.691) 4.429 5.464 ( -3.324 4.482 2.293) 6.033 5.595 ( -1.876 3.354 -0.235) 3.850 5.687 ( 0.949 7.895 3.576) 8.719 5.850 ( 0.603 -1.460 -3.419) 3.766 5.890 ( 0.324 3.057 -4.464) 5.420 5.988 ( -1.439 -5.992 1.598) 6.366 6.136 ( 0.065 -1.689 2.160) 2.743 6.212 ( -1.998 -0.067 -0.149) 2.005 6.454 ( 2.959 -2.472 0.542) 3.894 6.527 ( -5.697 -0.668 1.037) 5.829 6.735 ( 4.436 2.776 -2.068) 5.627 6.840 ( 5.167 4.152 -5.124) 8.378 6.855 ( -7.175 1.799 -2.281) 7.740 6.924 ( 1.342 -2.643 -1.420) 3.287 7.023 ( 1.309 2.738 1.240) 3.278 7.156 ( -1.846 0.553 1.810) 2.644 7.226 ( -0.489 9.555 1.839) 9.742 7.362 ( 2.027 4.231 -3.637) 5.936 7.470 ( 0.241 3.411 5.329) 6.332 7.617 ( -2.743 1.218 0.082) 3.002 7.700 ( 2.804 1.959 -1.250) 3.641 7.772 ( -1.234 6.230 -1.792) 6.599 7.778 ( -1.082 5.742 0.427) 5.859 7.875 ( -1.253 -1.954 -3.906) 4.544 7.988 ( 0.426 0.918 2.856) 3.030 8.011 ( 4.688 -1.532 1.897) 5.284 8.171 ( -2.174 3.595 0.365) 4.217 8.219 ( 0.367 2.780 -1.706) 3.283 8.328 ( 1.130 2.234 0.922) 2.668 8.338 ( -1.109 2.814 1.612) 3.427 8.395 ( -0.435 0.992 1.313) 1.702 8.468 ( -0.140 -1.036 -0.940) 1.406 8.540 ( -0.283 3.370 -0.246) 3.391 8.680 ( 0.167 -2.212 0.575) 2.291 8.955 ( -0.114 -0.828 0.128) 0.846 9.075 ( 0.090 -4.002 -0.011) 4.003 ======================= Grid point 91 (48/77) ======================= q-point: ( 0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( -0.845 -1.274 1.419) 2.086 1.067 ( -0.490 0.345 -1.352) 1.479 1.198 ( -0.183 2.212 -0.632) 2.308 1.310 ( 0.198 -3.265 0.722) 3.349 1.610 ( -1.139 7.228 -0.692) 7.349 1.665 ( 1.831 5.793 -0.498) 6.096 1.755 ( 1.106 2.996 -2.818) 4.259 1.917 ( 3.455 3.335 -2.015) 5.208 1.998 ( 0.485 6.386 1.876) 6.673 2.091 ( -0.180 2.008 1.318) 2.408 2.139 ( -0.409 -1.262 0.731) 1.514 2.152 ( 1.498 3.359 -1.804) 4.096 2.205 ( -1.632 -3.914 -0.454) 4.265 2.302 ( -0.563 0.236 0.888) 1.077 2.362 ( -0.114 -0.073 0.681) 0.694 2.406 ( -1.136 -0.926 1.499) 2.097 2.459 ( 1.629 5.342 -0.053) 5.585 2.499 ( 0.018 1.641 -1.709) 2.370 2.625 ( -1.620 -2.819 5.479) 6.371 2.809 ( -5.710 -3.100 -2.067) 6.818 2.864 ( 0.827 -1.229 -0.169) 1.491 3.205 ( -0.701 3.206 3.167) 4.561 3.340 ( -0.240 4.784 -2.946) 5.624 3.443 ( -1.388 -4.419 -7.095) 8.473 3.756 ( 0.203 11.686 0.041) 11.688 3.767 ( -0.996 3.938 -0.473) 4.090 3.918 ( -2.319 5.953 2.692) 6.933 4.093 ( -0.587 3.597 5.770) 6.824 4.173 ( -0.126 -11.787 2.621) 12.076 4.255 ( -1.117 5.385 1.486) 5.697 4.392 ( 2.550 -4.791 0.347) 5.438 4.482 ( 5.009 2.805 0.355) 5.752 4.509 ( 2.874 4.541 -0.053) 5.374 4.783 ( -1.349 -4.455 -0.527) 4.685 5.053 ( 2.548 2.260 -2.908) 4.478 5.129 ( -4.362 1.384 -0.845) 4.654 5.446 ( 1.170 3.982 0.926) 4.252 5.625 ( 2.743 7.917 -0.822) 8.419 5.739 ( 2.438 3.040 2.911) 4.864 5.849 ( 0.963 0.228 -1.251) 1.595 5.882 ( 1.782 3.013 -4.525) 5.721 5.991 ( 0.501 -6.425 1.153) 6.547 6.114 ( -0.515 -1.976 0.198) 2.052 6.230 ( 2.215 2.128 -1.085) 3.258 6.386 ( -7.213 -2.150 -0.289) 7.533 6.484 ( -3.118 -1.956 1.068) 3.832 6.664 ( -6.730 2.947 1.283) 7.458 6.825 ( 2.867 5.780 -0.492) 6.471 6.847 ( -3.891 -4.556 -0.940) 6.065 6.944 ( 3.254 1.052 -1.938) 3.931 7.084 ( 4.080 3.619 -2.131) 5.855 7.131 ( -1.133 -0.222 2.482) 2.738 7.229 ( -0.456 9.523 0.256) 9.537 7.395 ( 3.469 4.068 -4.447) 6.954 7.520 ( 1.586 3.949 4.514) 6.204 7.580 ( -0.812 2.513 1.585) 3.080 7.694 ( -3.239 5.626 -1.333) 6.628 7.760 ( -0.096 6.730 -1.575) 6.913 7.774 ( 1.468 0.558 0.045) 1.571 7.833 ( -1.331 -2.126 -1.575) 2.962 8.013 ( 0.787 1.949 0.498) 2.160 8.075 ( 1.228 -0.297 0.729) 1.459 8.138 ( -1.209 5.421 -0.276) 5.561 8.222 ( 0.856 1.074 -0.551) 1.480 8.331 ( -0.960 3.463 1.318) 3.828 8.350 ( 0.635 1.954 1.131) 2.345 8.402 ( 0.895 -0.410 1.266) 1.603 8.469 ( 0.549 -1.199 -1.098) 1.717 8.550 ( 1.526 3.581 0.217) 3.898 8.682 ( -0.240 -2.014 0.301) 2.051 8.953 ( -0.019 -1.153 0.258) 1.182 9.057 ( -1.957 -3.971 -0.126) 4.429 ======================= Grid point 92 (49/77) ======================= q-point: ( 0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -1.395 2.151 2.891) 3.864 1.067 ( 1.375 -1.576 -0.786) 2.234 1.194 ( 0.107 1.921 -1.184) 2.259 1.299 ( -1.296 -0.745 -0.899) 1.744 1.595 ( -0.478 6.457 -0.207) 6.478 1.682 ( 0.605 4.387 -0.213) 4.434 1.773 ( 2.101 3.503 -3.219) 5.200 1.984 ( 3.858 5.145 -0.816) 6.483 2.006 ( -1.193 2.721 3.136) 4.320 2.103 ( 1.321 3.142 -1.568) 3.752 2.126 ( -0.358 3.843 -1.709) 4.221 2.176 ( -1.280 -6.116 0.563) 6.273 2.181 ( 1.954 -0.779 -0.200) 2.113 2.279 ( -2.527 1.550 1.320) 3.245 2.366 ( 0.285 0.636 1.160) 1.353 2.409 ( 0.437 -1.040 1.031) 1.528 2.473 ( -1.684 0.466 -0.153) 1.754 2.497 ( 2.243 5.941 -2.547) 6.842 2.603 ( -2.477 -1.444 1.607) 3.287 2.721 ( -2.672 -6.737 2.051) 7.533 2.882 ( 0.186 -1.404 1.927) 2.391 3.191 ( -2.381 2.580 2.503) 4.312 3.317 ( 0.172 4.295 -4.212) 6.018 3.406 ( 1.720 -5.371 -5.205) 7.675 3.732 ( -2.165 7.059 -0.685) 7.415 3.758 ( 0.321 7.784 -3.056) 8.369 3.882 ( -1.791 4.529 0.813) 4.938 4.100 ( -1.856 0.567 4.930) 5.298 4.197 ( 1.856 -8.498 2.247) 8.984 4.252 ( -0.899 2.381 4.033) 4.769 4.426 ( 0.997 2.993 -1.618) 3.545 4.549 ( 2.299 4.130 -2.237) 5.229 4.574 ( 2.741 -0.638 -0.035) 2.815 4.770 ( -0.338 -2.502 0.005) 2.525 4.998 ( -4.738 1.388 2.856) 5.703 5.102 ( -0.706 -0.986 0.328) 1.257 5.497 ( 2.899 5.426 0.982) 6.230 5.649 ( 0.975 10.337 -0.462) 10.393 5.751 ( -0.404 1.962 -3.376) 3.926 5.891 ( 2.621 1.459 0.927) 3.139 5.913 ( 3.542 1.233 -4.075) 5.538 6.018 ( 1.844 -4.556 1.920) 5.277 6.094 ( -3.303 -0.193 0.226) 3.316 6.251 ( 0.319 -2.016 -1.156) 2.346 6.305 ( -0.937 0.650 0.376) 1.201 6.402 ( -2.071 1.341 -2.099) 3.239 6.630 ( 0.426 -0.069 1.284) 1.354 6.729 ( -7.568 -7.589 5.432) 12.015 6.915 ( 5.293 5.751 -0.174) 7.818 6.993 ( 2.422 3.010 -0.995) 3.990 7.102 ( -1.327 7.102 -0.069) 7.225 7.116 ( -1.999 0.626 1.228) 2.428 7.238 ( 2.393 7.406 -2.061) 8.051 7.421 ( 1.458 2.895 -5.390) 6.290 7.527 ( -0.795 2.083 -0.991) 2.440 7.617 ( -3.397 3.530 0.878) 4.977 7.637 ( 3.328 5.782 4.962) 8.315 7.760 ( 0.676 2.589 -3.138) 4.124 7.767 ( -1.227 2.721 1.103) 3.182 7.837 ( 1.311 2.969 0.098) 3.247 8.001 ( -1.582 3.080 -2.040) 4.019 8.067 ( -1.454 0.974 -1.124) 2.080 8.141 ( 1.321 3.898 0.838) 4.200 8.237 ( 0.683 -0.266 0.056) 0.736 8.311 ( -1.745 3.048 0.569) 3.558 8.360 ( -0.123 1.912 2.015) 2.781 8.436 ( 1.617 -0.669 0.726) 1.894 8.472 ( 0.309 -0.470 -0.592) 0.816 8.582 ( 1.274 3.032 0.521) 3.330 8.676 ( -0.377 -1.562 -0.157) 1.615 8.961 ( 0.505 -1.764 -0.011) 1.835 9.016 ( -1.900 -4.014 0.110) 4.442 ======================= Grid point 93 (50/77) ======================= q-point: (-0.40 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.931 2.550 2.507) 3.695 1.100 ( 1.924 -3.456 -0.395) 3.975 1.196 ( 0.991 1.343 -0.216) 1.683 1.262 ( -1.676 1.774 -2.066) 3.198 1.591 ( 0.123 6.319 -0.077) 6.320 1.691 ( 0.441 4.468 -0.225) 4.496 1.781 ( 0.554 4.028 -3.320) 5.249 1.996 ( -1.387 3.002 2.941) 4.426 2.021 ( 0.156 3.770 0.189) 3.777 2.074 ( -2.174 4.158 -3.047) 5.595 2.126 ( 0.495 3.301 -1.657) 3.726 2.169 ( -0.474 -6.725 1.033) 6.821 2.218 ( 1.916 -2.448 -0.233) 3.117 2.256 ( -0.114 4.072 2.052) 4.561 2.380 ( 0.045 -0.318 1.689) 1.719 2.425 ( 1.666 2.166 -1.500) 3.117 2.445 ( -1.494 -0.369 1.821) 2.384 2.498 ( -0.937 2.444 -1.173) 2.868 2.566 ( -1.479 -0.611 -1.478) 2.179 2.749 ( 2.923 -5.042 3.678) 6.892 2.903 ( 1.760 -3.009 2.055) 4.047 3.158 ( -1.738 0.702 1.019) 2.134 3.325 ( 2.346 4.614 -3.205) 6.088 3.442 ( 4.559 -4.675 -5.586) 8.594 3.689 ( -2.006 7.788 -0.761) 8.078 3.754 ( 1.527 7.777 -2.138) 8.209 3.862 ( -1.246 4.729 0.393) 4.906 4.088 ( -1.884 -0.024 5.134) 5.468 4.226 ( -1.145 -1.728 2.874) 3.544 4.280 ( 2.065 -2.028 3.712) 4.707 4.426 ( 0.333 4.325 -1.566) 4.612 4.519 ( -4.437 -1.444 -3.523) 5.847 4.568 ( -2.855 1.829 1.181) 3.591 4.765 ( 0.517 -4.432 -0.617) 4.505 4.971 ( -0.446 2.376 2.659) 3.593 5.084 ( -1.373 -0.525 0.349) 1.511 5.548 ( 1.686 6.851 3.401) 7.832 5.638 ( -2.059 8.935 -2.770) 9.578 5.729 ( -0.301 3.325 -1.751) 3.770 5.912 ( 0.524 3.815 -4.499) 5.922 5.938 ( -0.091 -1.181 -0.767) 1.411 6.046 ( -0.639 -0.134 2.140) 2.237 6.074 ( 2.395 -3.034 -0.435) 3.890 6.212 ( -2.386 -4.119 0.081) 4.761 6.333 ( 3.307 1.746 0.049) 3.740 6.455 ( 7.327 3.211 -1.865) 8.214 6.639 ( -2.449 -8.350 1.409) 8.815 6.661 ( -0.377 -1.585 4.406) 4.697 6.983 ( 1.817 4.690 -1.794) 5.340 7.012 ( -0.262 3.575 1.234) 3.792 7.060 ( -2.798 7.555 0.329) 8.063 7.095 ( -0.530 2.227 1.044) 2.516 7.268 ( 1.359 6.414 -1.212) 6.668 7.392 ( -0.702 3.698 -5.741) 6.865 7.492 ( -2.047 2.546 -0.757) 3.353 7.605 ( 0.361 1.444 3.540) 3.840 7.705 ( -0.270 2.638 0.156) 2.656 7.743 ( 2.411 0.974 -0.853) 2.737 7.799 ( 2.538 5.780 2.040) 6.634 7.849 ( 0.177 6.998 -1.642) 7.191 7.954 ( -2.201 1.981 -1.207) 3.198 8.028 ( -1.990 -0.273 -1.445) 2.474 8.177 ( 2.031 2.234 0.321) 3.037 8.241 ( -0.561 0.065 -0.060) 0.568 8.287 ( -0.854 3.316 1.046) 3.580 8.370 ( 0.208 2.300 1.624) 2.823 8.431 ( -2.359 0.013 0.525) 2.417 8.485 ( 0.903 -0.781 -0.347) 1.243 8.586 ( -1.199 2.979 0.534) 3.255 8.670 ( -0.092 -1.450 -0.173) 1.463 8.953 ( -0.671 -1.773 0.007) 1.896 9.022 ( 1.938 -4.016 0.092) 4.460 ======================= Grid point 94 (51/77) ======================= q-point: (-0.20 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -0.197 0.169 0.895) 0.932 1.109 ( -0.344 -1.884 -1.135) 2.227 1.231 ( -0.764 2.529 -1.704) 3.144 1.236 ( 2.601 -2.043 1.882) 3.805 1.600 ( 1.065 7.106 -0.436) 7.199 1.684 ( -1.327 5.975 -0.645) 6.154 1.770 ( 0.367 3.948 -3.092) 5.028 1.960 ( -2.962 3.778 -1.884) 5.157 2.005 ( -1.590 4.859 0.649) 5.154 2.056 ( 0.526 2.605 2.182) 3.439 2.118 ( -0.514 -0.924 0.357) 1.116 2.169 ( 0.119 0.812 -0.798) 1.145 2.236 ( 0.825 -3.441 -1.542) 3.860 2.280 ( 0.612 1.550 2.688) 3.163 2.379 ( -0.852 -0.965 1.134) 1.715 2.434 ( -1.022 1.522 2.415) 3.032 2.456 ( 2.623 5.095 -1.975) 6.062 2.467 ( -2.029 -1.942 -0.221) 2.817 2.557 ( 1.161 -0.284 1.125) 1.642 2.815 ( 2.639 -0.973 0.953) 2.970 2.946 ( 1.126 -5.612 -0.132) 5.725 3.156 ( 0.966 1.174 1.302) 2.002 3.344 ( 1.218 5.040 -2.500) 5.756 3.485 ( 3.148 -3.524 -6.818) 8.296 3.673 ( 1.128 8.830 0.312) 8.907 3.804 ( 4.368 7.007 -0.617) 8.280 3.840 ( -1.869 6.924 3.124) 7.823 4.083 ( -2.137 1.395 5.867) 6.398 4.200 ( -3.109 -0.769 3.266) 4.574 4.323 ( 0.766 -2.675 1.954) 3.400 4.381 ( -5.218 1.484 0.346) 5.436 4.453 ( -0.548 -3.095 0.042) 3.143 4.503 ( -3.667 4.474 -0.973) 5.866 4.798 ( 3.007 -7.391 -0.020) 7.979 4.982 ( -0.102 2.932 -2.012) 3.558 5.080 ( 3.622 0.964 -2.385) 4.443 5.534 ( -5.841 8.134 3.837) 10.724 5.616 ( 1.447 5.350 0.229) 5.547 5.702 ( -2.253 5.604 -1.985) 6.358 5.877 ( -1.332 0.845 -5.011) 5.253 5.910 ( -1.224 0.803 -1.361) 1.999 6.037 ( -4.704 -4.531 1.623) 6.730 6.085 ( 2.843 0.294 2.356) 3.704 6.240 ( 3.102 -3.966 -3.665) 6.227 6.391 ( 1.637 -1.195 4.029) 4.510 6.552 ( 2.606 4.576 1.253) 5.413 6.659 ( 4.180 -6.187 -3.043) 8.063 6.716 ( 6.434 -0.465 1.372) 6.595 6.948 ( -2.371 3.690 -5.909) 7.359 6.985 ( -3.808 2.060 -1.957) 4.751 7.017 ( -1.482 5.482 2.566) 6.232 7.126 ( 2.174 4.119 3.264) 5.688 7.259 ( -2.221 6.350 0.396) 6.739 7.365 ( 0.230 3.308 -4.019) 5.210 7.462 ( -1.413 3.366 2.245) 4.286 7.640 ( 1.052 0.569 3.034) 3.261 7.673 ( -0.996 1.304 -2.122) 2.683 7.780 ( 0.659 4.178 0.577) 4.269 7.812 ( -1.640 8.438 -2.614) 8.984 7.881 ( 4.275 2.185 -2.733) 5.525 7.933 ( 0.481 0.134 2.035) 2.096 7.990 ( -1.787 -1.393 0.924) 2.447 8.201 ( -0.490 0.787 0.657) 1.136 8.219 ( -0.279 3.004 -1.484) 3.362 8.300 ( 1.136 2.995 1.643) 3.600 8.365 ( -2.242 1.776 1.221) 3.110 8.396 ( -0.689 1.940 0.852) 2.228 8.484 ( -0.655 -1.585 -0.850) 1.914 8.557 ( -1.666 3.335 0.239) 3.736 8.673 ( 0.303 -1.884 0.312) 1.934 8.952 ( 0.252 -1.155 0.254) 1.209 9.057 ( 1.715 -4.005 -0.124) 4.359 ======================= Grid point 95 (52/77) ======================= q-point: ( 0.00 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.095 2.407 1.286) 2.731 1.027 ( -0.385 -4.871 1.865) 5.230 1.232 ( -0.397 0.715 -0.333) 0.883 1.248 ( 0.660 -0.676 -1.296) 1.604 1.723 ( 0.172 2.200 -0.405) 2.243 1.736 ( -0.563 0.950 -0.072) 1.107 1.874 ( -0.831 6.826 -1.831) 7.116 1.938 ( -0.996 0.467 -2.261) 2.514 2.046 ( 0.788 -1.576 1.080) 2.067 2.061 ( 0.913 -2.633 1.393) 3.116 2.135 ( -0.962 5.650 1.307) 5.878 2.201 ( 0.643 0.225 -0.555) 0.879 2.221 ( 0.387 0.940 -1.642) 1.931 2.288 ( 0.160 -5.093 0.968) 5.187 2.335 ( -1.820 2.729 3.878) 5.079 2.390 ( -2.079 -2.530 5.553) 6.447 2.477 ( 1.324 1.294 0.248) 1.867 2.516 ( 0.322 -2.234 1.424) 2.669 2.628 ( 0.891 4.832 -4.018) 6.347 2.747 ( -0.461 -6.807 -5.018) 8.469 2.990 ( 0.305 8.053 0.415) 8.070 3.147 ( 1.377 -6.196 1.712) 6.574 3.416 ( 0.430 1.810 -3.157) 3.665 3.438 ( 0.401 -0.970 -5.906) 5.999 3.840 ( 2.639 1.477 1.014) 3.190 3.858 ( -2.432 -0.543 1.640) 2.983 3.967 ( 2.571 2.528 2.848) 4.595 4.014 ( -1.433 -2.464 2.034) 3.502 4.193 ( -2.765 2.649 5.495) 6.698 4.243 ( -1.942 -3.494 3.693) 5.443 4.392 ( -0.893 3.955 -0.183) 4.059 4.438 ( -0.288 -0.660 1.415) 1.588 4.588 ( 1.542 4.938 -0.109) 5.174 4.684 ( 0.847 -5.103 -0.343) 5.184 5.090 ( 4.943 5.256 -6.633) 9.801 5.168 ( 4.646 -2.064 -4.665) 6.900 5.578 ( -6.023 6.148 2.720) 9.026 5.655 ( -2.892 0.894 -0.907) 3.160 5.757 ( -2.173 -0.550 1.907) 2.943 5.822 ( -2.038 -5.955 2.619) 6.817 5.928 ( 5.056 7.514 -1.909) 9.255 5.982 ( 1.731 1.841 -2.861) 3.817 6.133 ( -1.090 2.632 1.713) 3.324 6.225 ( 0.927 -0.947 -2.117) 2.498 6.349 ( -0.341 -4.320 3.598) 5.633 6.418 ( -6.251 -7.332 2.737) 10.016 6.809 ( 7.372 3.495 -1.592) 8.312 6.858 ( 6.073 -1.456 0.206) 6.249 6.911 ( -3.431 2.612 -5.730) 7.171 6.927 ( -3.671 1.061 -6.033) 7.141 7.092 ( -1.484 3.388 0.893) 3.805 7.145 ( -3.826 -1.667 1.608) 4.473 7.403 ( 1.141 7.200 1.961) 7.549 7.463 ( 3.156 5.592 -5.184) 8.252 7.513 ( 1.035 -0.604 6.168) 6.284 7.619 ( 1.438 -4.457 -0.478) 4.708 7.654 ( -0.626 1.395 0.234) 1.547 7.764 ( -1.985 -5.990 -0.021) 6.310 7.865 ( -2.530 2.297 -2.583) 4.283 7.878 ( -1.809 1.740 -1.559) 2.954 8.001 ( 2.857 0.521 2.519) 3.845 8.004 ( 2.482 0.214 2.440) 3.487 8.235 ( -0.421 2.383 0.020) 2.420 8.258 ( -0.205 0.396 -0.942) 1.042 8.362 ( 0.502 1.590 0.883) 1.886 8.383 ( -0.137 0.307 1.326) 1.368 8.420 ( -0.688 1.484 -0.253) 1.655 8.446 ( -0.276 -0.997 -0.482) 1.141 8.605 ( -0.127 2.750 0.187) 2.760 8.647 ( 0.044 -1.489 0.389) 1.540 8.964 ( -0.053 1.455 0.098) 1.459 9.007 ( 0.040 -2.695 -0.007) 2.695 ======================= Grid point 96 (53/77) ======================= q-point: ( 0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.902 2.401 0.412) 2.598 1.032 ( -0.042 -3.734 0.993) 3.864 1.230 ( 0.357 1.470 -0.446) 1.578 1.261 ( 1.234 -1.646 -0.601) 2.143 1.711 ( -0.897 2.523 -0.164) 2.683 1.727 ( -0.358 0.626 -0.092) 0.727 1.873 ( 1.360 6.752 -0.972) 6.955 1.944 ( 2.372 -0.271 -0.779) 2.511 2.055 ( -0.473 -1.415 0.827) 1.706 2.074 ( 0.032 -2.311 -0.150) 2.316 2.126 ( -0.345 4.722 1.295) 4.909 2.205 ( -0.128 -1.231 -0.978) 1.578 2.219 ( 0.474 3.512 -1.317) 3.781 2.302 ( 0.896 -4.287 0.090) 4.381 2.323 ( -1.555 2.122 3.976) 4.767 2.376 ( -2.567 -2.291 5.395) 6.399 2.496 ( 0.269 0.703 0.657) 0.999 2.526 ( 0.251 -1.981 1.855) 2.725 2.609 ( -0.936 2.587 -3.520) 4.467 2.690 ( -2.695 -5.350 -4.899) 7.739 2.979 ( -1.490 8.788 0.832) 8.952 3.158 ( -1.158 -7.513 2.004) 7.862 3.394 ( -0.812 0.789 -5.766) 5.876 3.398 ( -1.050 0.679 -4.646) 4.811 3.810 ( -2.888 1.301 2.259) 3.891 3.879 ( 1.065 -3.734 -0.776) 3.959 3.945 ( -5.244 0.859 1.643) 5.562 3.980 ( -2.355 -0.377 -0.894) 2.547 4.198 ( -0.197 2.321 5.836) 6.283 4.234 ( -1.167 -2.224 4.731) 5.356 4.439 ( 5.545 4.750 0.124) 7.302 4.502 ( 5.467 -1.113 0.811) 5.637 4.630 ( 2.444 5.335 0.442) 5.885 4.711 ( 2.025 -3.045 0.030) 3.657 5.104 ( -1.203 2.359 -3.640) 4.501 5.138 ( -4.546 -0.734 -2.668) 5.322 5.568 ( 3.457 7.381 0.395) 8.160 5.696 ( 6.453 -2.795 -1.844) 7.270 5.763 ( 1.494 0.719 0.969) 1.920 5.819 ( 0.441 -5.147 2.120) 5.584 5.971 ( -1.579 10.690 1.972) 10.984 6.013 ( 2.934 5.289 -3.161) 6.825 6.100 ( 0.405 -0.646 0.998) 1.256 6.198 ( -4.062 -6.584 -2.046) 8.003 6.317 ( -2.892 -1.331 3.171) 4.493 6.383 ( 0.077 -6.726 -0.586) 6.752 6.724 ( -8.803 3.022 -0.348) 9.314 6.774 ( -8.901 -1.973 1.121) 9.186 6.939 ( 4.024 3.783 -2.268) 5.970 6.973 ( 4.767 0.491 -2.442) 5.378 7.125 ( 1.987 0.893 -0.274) 2.195 7.136 ( 4.565 0.513 -0.817) 4.666 7.410 ( -0.946 6.843 0.010) 6.908 7.472 ( 0.455 2.357 -4.742) 5.315 7.586 ( 2.034 0.945 2.715) 3.521 7.619 ( 1.425 5.411 3.044) 6.370 7.698 ( 2.756 -6.058 -0.375) 6.666 7.739 ( 0.033 -5.366 0.127) 5.368 7.801 ( -3.682 3.660 -0.602) 5.227 7.842 ( -1.600 0.295 -0.158) 1.634 8.046 ( 1.728 1.271 0.053) 2.146 8.064 ( 2.326 -0.583 0.618) 2.476 8.223 ( -0.961 2.477 0.166) 2.663 8.242 ( -0.812 0.356 -0.500) 1.018 8.386 ( 0.907 1.242 1.273) 1.997 8.389 ( -0.415 1.397 0.868) 1.696 8.407 ( 0.104 1.204 -0.060) 1.210 8.440 ( 0.247 -1.637 -0.634) 1.773 8.615 ( 1.026 2.611 0.261) 2.818 8.653 ( 0.417 -1.284 0.244) 1.372 8.954 ( -0.916 1.091 0.160) 1.434 8.992 ( -1.653 -2.507 -0.058) 3.004 ======================= Grid point 97 (54/77) ======================= q-point: ( 0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 0.937 2.220 -0.649) 2.496 1.031 ( -0.224 -2.591 -0.138) 2.604 1.235 ( 0.374 2.324 -0.325) 2.376 1.279 ( 0.642 -1.603 0.027) 1.727 1.699 ( -0.415 3.313 0.059) 3.340 1.726 ( 0.243 0.399 0.062) 0.471 1.898 ( 1.715 7.192 -0.966) 7.456 1.990 ( 1.616 -2.205 1.002) 2.912 2.037 ( -1.364 -1.313 0.015) 1.893 2.063 ( -0.632 -1.131 -0.993) 1.633 2.144 ( 1.700 1.743 0.423) 2.471 2.193 ( -0.634 -0.497 -0.284) 0.854 2.215 ( -0.327 4.001 -1.688) 4.354 2.308 ( -0.364 -4.127 0.609) 4.187 2.324 ( -0.880 1.454 4.048) 4.391 2.366 ( -0.668 -2.237 3.906) 4.551 2.482 ( -1.940 0.785 -0.089) 2.094 2.534 ( -1.486 -4.176 2.133) 4.919 2.597 ( 2.760 2.507 -3.182) 4.902 2.631 ( -0.690 -1.934 -2.917) 3.568 2.951 ( -2.058 7.544 0.740) 7.855 3.125 ( -2.884 -8.084 0.197) 8.585 3.358 ( 1.093 1.648 -5.224) 5.586 3.377 ( 0.896 0.270 -3.308) 3.438 3.784 ( -1.010 0.842 0.895) 1.591 3.855 ( -3.329 -5.555 1.226) 6.592 3.888 ( -0.334 3.739 -3.574) 5.183 3.951 ( 1.151 -3.635 -2.508) 4.564 4.226 ( -0.400 1.882 6.346) 6.631 4.242 ( -1.195 -0.412 6.172) 6.300 4.522 ( 2.376 4.707 -0.246) 5.278 4.583 ( 2.391 -1.045 0.285) 2.625 4.655 ( 0.106 5.193 -2.774) 5.888 4.729 ( -0.331 -2.224 -1.618) 2.770 5.037 ( -3.596 2.049 2.583) 4.878 5.075 ( -1.934 -1.641 1.976) 3.215 5.645 ( 4.167 8.295 -0.489) 9.296 5.780 ( 2.550 -0.671 0.673) 2.721 5.809 ( 3.645 -0.240 -2.246) 4.288 5.852 ( 1.692 -4.055 1.081) 4.525 5.928 ( -1.556 8.003 0.317) 8.159 6.046 ( 0.839 4.867 -0.406) 4.956 6.086 ( -3.905 -2.580 1.298) 4.857 6.169 ( 1.241 -3.843 0.613) 4.085 6.308 ( 1.025 -0.140 -1.353) 1.703 6.369 ( 1.206 -6.163 -3.966) 7.428 6.604 ( -5.229 1.837 1.702) 5.798 6.656 ( -4.942 -1.937 3.447) 6.329 6.996 ( 3.161 2.317 -0.122) 3.921 7.023 ( 1.779 -0.311 0.216) 1.819 7.166 ( 2.317 4.097 -0.541) 4.738 7.206 ( 2.764 1.451 -2.266) 3.858 7.380 ( -1.317 5.662 -1.367) 5.971 7.449 ( -0.418 -0.680 -3.626) 3.713 7.585 ( -0.912 4.035 -1.410) 4.370 7.669 ( -0.988 1.540 -1.388) 2.296 7.702 ( 0.440 -2.664 -0.334) 2.720 7.754 ( -0.974 2.906 1.365) 3.355 7.778 ( 2.012 -1.346 4.403) 5.025 7.845 ( 1.569 -2.206 3.110) 4.123 8.051 ( -0.659 1.717 -2.721) 3.284 8.072 ( -1.020 -0.291 -2.359) 2.586 8.213 ( -0.144 2.416 1.030) 2.630 8.236 ( 0.129 -0.169 0.494) 0.538 8.367 ( -1.347 2.157 -0.481) 2.588 8.387 ( -0.620 0.386 1.091) 1.313 8.435 ( 1.413 0.561 0.496) 1.599 8.454 ( 1.132 -1.107 0.341) 1.620 8.637 ( 0.898 2.045 0.339) 2.259 8.661 ( 0.255 -0.512 0.034) 0.573 8.942 ( -0.334 -0.086 0.059) 0.351 8.958 ( -1.604 -1.725 0.055) 2.357 ======================= Grid point 98 (55/77) ======================= q-point: (-0.40 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.766 2.059 -0.683) 2.301 1.029 ( 0.144 -3.221 -0.079) 3.225 1.238 ( 0.128 2.566 -0.340) 2.592 1.278 ( -0.744 -0.775 -0.020) 1.074 1.697 ( 0.272 3.721 0.124) 3.733 1.734 ( 0.482 0.079 0.007) 0.489 1.916 ( 0.654 7.930 -1.265) 8.057 1.997 ( -0.497 -1.260 2.348) 2.710 2.025 ( -0.186 -3.611 -0.191) 3.621 2.042 ( -1.227 -1.332 -1.746) 2.516 2.172 ( -1.526 2.200 0.689) 2.765 2.178 ( 1.317 0.018 -0.767) 1.524 2.207 ( 0.919 2.708 -1.689) 3.321 2.298 ( -1.090 -5.426 1.601) 5.761 2.336 ( -0.238 2.670 4.117) 4.913 2.384 ( 0.101 -2.459 3.688) 4.434 2.447 ( -1.145 1.176 -0.312) 1.671 2.510 ( -1.372 -4.111 0.335) 4.346 2.614 ( 1.609 4.448 -3.711) 6.012 2.679 ( 4.956 -2.417 -0.919) 5.590 2.932 ( 0.140 5.944 0.737) 5.992 3.084 ( -0.807 -7.209 -0.812) 7.300 3.382 ( 3.329 1.472 -3.726) 5.208 3.397 ( 3.240 -0.297 -3.808) 5.008 3.769 ( -0.881 1.874 0.218) 2.082 3.834 ( 0.533 -3.397 0.411) 3.463 3.887 ( 2.060 3.458 -3.025) 5.035 3.973 ( 1.808 -5.252 -1.475) 5.747 4.241 ( -1.989 1.056 6.281) 6.672 4.250 ( -0.932 -0.598 6.098) 6.198 4.518 ( -2.292 4.250 0.679) 4.876 4.561 ( -5.069 1.114 0.222) 5.195 4.620 ( -1.222 3.221 -2.463) 4.235 4.693 ( -1.394 -3.238 -2.378) 4.252 5.028 ( 0.212 2.635 2.093) 3.372 5.068 ( -0.513 -1.251 1.569) 2.072 5.711 ( 3.092 8.060 0.532) 8.649 5.793 ( -0.201 5.239 -1.121) 5.362 5.854 ( 0.770 -1.024 1.171) 1.735 5.859 ( -2.186 2.091 -1.115) 3.223 5.919 ( 0.387 -0.741 -0.569) 1.011 6.028 ( -1.744 -2.679 0.973) 3.342 6.074 ( 0.224 2.133 0.644) 2.240 6.136 ( -3.111 -3.472 0.720) 4.717 6.349 ( 3.951 0.430 -2.907) 4.924 6.421 ( 6.141 -6.361 -4.075) 9.736 6.563 ( 0.388 2.653 2.811) 3.885 6.620 ( -1.545 -2.425 3.887) 4.835 7.038 ( 0.999 1.276 -0.421) 1.674 7.045 ( 0.435 0.492 0.278) 0.713 7.180 ( -0.636 4.714 -0.966) 4.854 7.204 ( -1.117 3.605 -0.991) 3.902 7.366 ( 0.248 3.503 -1.087) 3.676 7.432 ( 0.824 -1.635 -3.550) 3.994 7.543 ( -2.802 4.308 -0.960) 5.228 7.627 ( -1.449 -1.140 -3.079) 3.589 7.697 ( -1.090 0.817 1.852) 2.300 7.762 ( 1.124 -1.448 0.183) 1.842 7.855 ( 2.780 1.454 6.267) 7.008 7.900 ( 1.995 -1.340 4.195) 4.835 8.000 ( -2.710 1.819 -4.294) 5.394 8.017 ( -3.108 0.011 -3.899) 4.986 8.225 ( 0.716 1.865 0.772) 2.142 8.244 ( 0.417 -0.101 0.347) 0.552 8.351 ( -0.086 2.774 -0.092) 2.777 8.389 ( 0.185 -0.645 0.640) 0.927 8.441 ( -0.841 1.113 0.531) 1.493 8.467 ( -0.188 -1.113 0.326) 1.175 8.638 ( -0.975 1.935 0.345) 2.193 8.659 ( -0.478 -0.305 0.026) 0.568 8.938 ( 0.300 0.247 0.065) 0.395 8.961 ( 1.536 -2.022 0.051) 2.540 ======================= Grid point 99 (56/77) ======================= q-point: (-0.20 0.46 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.952 ( -1.379 2.469 0.374) 2.853 1.029 ( -0.524 -4.700 1.066) 4.848 1.237 ( 0.039 1.331 -0.464) 1.410 1.258 ( -1.058 -0.150 -0.626) 1.239 1.710 ( 1.021 3.372 0.014) 3.523 1.741 ( 0.233 0.241 -0.186) 0.384 1.904 ( -1.067 7.471 -1.541) 7.702 1.987 ( -2.666 -0.188 -1.243) 2.947 2.023 ( 0.967 -1.679 0.827) 2.106 2.034 ( 1.026 -2.918 1.082) 3.277 2.146 ( -1.413 4.599 1.568) 5.061 2.194 ( 0.872 -0.714 -1.449) 1.835 2.218 ( 0.876 1.622 -1.594) 2.438 2.288 ( -0.821 -5.842 1.441) 6.073 2.344 ( -1.347 2.913 4.405) 5.450 2.394 ( -1.398 -2.367 5.304) 5.974 2.450 ( 1.555 1.163 -0.754) 2.083 2.502 ( 0.313 -3.125 0.543) 3.187 2.625 ( 1.629 6.236 -4.070) 7.622 2.746 ( 3.009 -5.553 -3.058) 7.017 2.961 ( 2.133 6.163 0.742) 6.564 3.101 ( 2.549 -6.024 0.198) 6.544 3.412 ( 1.824 1.886 -3.104) 4.065 3.437 ( 2.930 -1.122 -5.311) 6.168 3.779 ( 2.216 3.352 0.883) 4.115 3.864 ( 1.542 -3.860 1.654) 4.474 3.913 ( 1.853 4.216 -0.838) 4.681 3.998 ( 1.160 -4.360 1.167) 4.660 4.225 ( -3.189 1.723 5.959) 6.975 4.255 ( -1.443 -2.211 3.890) 4.702 4.447 ( -5.006 3.757 0.888) 6.322 4.484 ( -4.272 0.840 2.275) 4.913 4.587 ( -0.810 4.273 -1.504) 4.602 4.679 ( 0.218 -4.724 -0.593) 4.766 5.047 ( 2.139 2.855 -2.965) 4.639 5.084 ( 4.130 -0.730 -2.730) 5.004 5.709 ( -3.993 6.326 -3.691) 8.342 5.736 ( -7.980 7.353 5.514) 12.172 5.830 ( -1.815 -0.877 -1.840) 2.729 5.846 ( 3.553 3.934 -1.504) 5.510 5.880 ( -6.877 -3.408 1.504) 7.821 5.976 ( -1.229 -4.100 1.239) 4.455 6.096 ( 2.985 2.398 1.005) 3.959 6.177 ( 5.404 -3.747 -2.804) 7.149 6.366 ( -2.230 1.552 2.914) 3.984 6.482 ( -0.073 -7.942 -0.977) 8.002 6.651 ( 7.750 2.817 0.397) 8.256 6.690 ( 9.285 -1.329 0.732) 9.408 7.008 ( -2.985 1.705 -4.159) 5.395 7.017 ( -2.975 0.855 -3.454) 4.638 7.140 ( -3.086 5.212 0.530) 6.081 7.193 ( -1.165 0.712 1.431) 1.978 7.371 ( 0.701 5.197 0.743) 5.297 7.444 ( 2.340 1.975 -4.667) 5.582 7.496 ( -2.405 1.491 3.786) 4.727 7.599 ( 0.476 -5.363 -2.736) 6.039 7.684 ( -1.919 3.515 2.177) 4.558 7.782 ( 0.276 -3.950 0.485) 3.989 7.912 ( -0.869 1.594 1.342) 2.258 7.934 ( -2.671 1.564 -3.548) 4.708 7.945 ( 0.490 1.592 -0.281) 1.689 7.954 ( 1.435 -1.178 3.096) 3.610 8.237 ( 0.184 1.847 0.294) 1.879 8.255 ( 0.757 0.308 -0.447) 0.932 8.357 ( 0.149 2.452 0.557) 2.519 8.387 ( -0.894 -0.094 0.984) 1.333 8.430 ( -0.408 1.250 0.206) 1.331 8.455 ( -0.729 -1.286 -0.399) 1.531 8.617 ( -1.213 2.362 0.270) 2.669 8.649 ( -0.499 -0.956 0.239) 1.105 8.954 ( 0.998 1.136 0.156) 1.520 8.992 ( 1.540 -2.515 -0.054) 2.950 ======================= Grid point 130 (57/77) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( 0.000 0.000 0.000) 0.000 0.734 ( 0.000 0.000 -0.000) 0.000 0.761 ( -0.000 0.000 0.000) 0.000 0.835 ( 0.000 0.000 0.000) 0.000 0.942 ( -0.000 0.000 -0.000) 0.000 0.982 ( 0.000 0.000 0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.424 ( 0.000 0.000 0.000) 0.000 1.484 ( 0.000 0.000 0.000) 0.000 1.606 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 -0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.716 ( -0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 -0.000) 0.000 1.902 ( -0.000 0.000 0.000) 0.000 1.998 ( -0.000 0.000 0.000) 0.000 2.020 ( -0.000 0.000 0.000) 0.000 2.144 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.610 ( -0.000 0.000 0.000) 0.000 2.667 ( -0.000 0.000 -0.000) 0.000 2.718 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.348 ( -0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.790 ( -0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.444 ( -0.000 0.000 0.000) 0.000 4.537 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.581 ( -0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 -0.000) 0.000 5.035 ( -0.000 0.000 0.000) 0.000 5.341 ( -0.000 0.000 0.000) 0.000 5.432 ( -0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.896 ( 0.000 0.000 0.000) 0.000 6.039 ( -0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.346 ( -0.000 0.000 0.000) 0.000 6.481 ( 0.000 0.000 0.000) 0.000 6.497 ( 0.000 0.000 0.000) 0.000 6.584 ( 0.000 0.000 0.000) 0.000 6.796 ( -0.000 0.000 0.000) 0.000 6.917 ( 0.000 0.000 0.000) 0.000 6.984 ( -0.000 0.000 0.000) 0.000 7.024 ( -0.000 0.000 0.000) 0.000 7.069 ( -0.000 0.000 0.000) 0.000 7.126 ( 0.000 0.000 0.000) 0.000 7.342 ( -0.000 0.000 0.000) 0.000 7.378 ( 0.000 0.000 0.000) 0.000 7.551 ( 0.000 0.000 0.000) 0.000 7.695 ( -0.000 0.000 0.000) 0.000 7.943 ( 0.000 0.000 0.000) 0.000 8.021 ( -0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 0.000) 0.000 8.192 ( -0.000 0.000 -0.000) 0.000 8.263 ( -0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.512 ( 0.000 0.000 0.000) 0.000 8.620 ( -0.000 0.000 0.000) 0.000 8.865 ( -0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.344 ( 0.000 0.000 0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 132 (58/77) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 9.313 0.000 -1.331) 9.408 0.759 ( 0.013 0.000 7.923) 7.923 0.779 ( 2.655 0.000 -3.995) 4.797 0.803 ( 7.590 0.000 -10.418) 12.890 0.957 ( 3.693 0.000 -1.467) 3.974 1.128 ( -3.656 0.000 1.154) 3.833 1.183 ( 9.887 0.000 2.614) 10.227 1.262 ( 5.359 0.000 -0.356) 5.371 1.424 ( -0.357 0.000 1.564) 1.604 1.495 ( 2.456 0.000 -0.391) 2.487 1.615 ( 0.763 0.000 0.778) 1.090 1.620 ( -1.822 0.000 0.183) 1.832 1.621 ( -0.238 0.000 -0.873) 0.905 1.706 ( -0.927 0.000 -0.632) 1.122 1.852 ( -1.730 0.000 -0.660) 1.852 1.934 ( -0.453 0.000 3.898) 3.924 2.016 ( -0.406 0.000 -0.052) 0.409 2.018 ( 6.325 0.000 -2.681) 6.870 2.193 ( 4.315 0.000 -1.049) 4.441 2.209 ( 0.042 0.000 -0.157) 0.162 2.350 ( 0.053 0.000 0.083) 0.099 2.577 ( -6.201 0.000 -3.264) 7.007 2.609 ( -6.338 0.000 9.212) 11.181 2.781 ( 5.762 0.000 5.006) 7.632 3.280 ( -2.088 0.000 -0.689) 2.199 3.398 ( -4.354 0.000 -2.950) 5.259 3.466 ( 6.955 0.000 2.715) 7.466 3.747 ( -1.859 0.000 0.825) 2.034 4.205 ( 6.211 0.000 -0.843) 6.268 4.431 ( -0.738 0.000 -1.836) 1.979 4.519 ( -5.625 0.000 -0.557) 5.653 4.561 ( 1.093 0.000 -2.583) 2.805 4.561 ( -2.208 0.000 3.093) 3.801 4.864 ( 3.997 0.000 -1.935) 4.441 4.982 ( -5.794 0.000 3.185) 6.612 5.052 ( 2.582 0.000 0.273) 2.596 5.291 ( -2.742 0.000 0.396) 2.770 5.426 ( -2.115 0.000 5.018) 5.445 5.481 ( 1.253 0.000 -4.437) 4.610 5.525 ( -1.123 0.000 1.085) 1.561 5.635 ( 2.574 0.000 -0.500) 2.622 5.677 ( 1.507 0.000 -1.842) 2.380 5.872 ( 1.208 0.000 1.738) 2.117 5.896 ( -0.405 0.000 -1.177) 1.244 6.028 ( -0.847 0.000 -1.080) 1.372 6.241 ( -1.852 0.000 -1.132) 2.170 6.345 ( -0.014 0.000 -0.222) 0.223 6.468 ( -8.457 0.000 -0.066) 8.457 6.503 ( 0.461 0.000 -0.515) 0.691 6.504 ( 0.484 0.000 0.557) 0.738 6.761 ( -2.433 0.000 -1.068) 2.658 6.842 ( -8.157 0.000 0.452) 8.170 6.951 ( 1.998 0.000 2.572) 3.257 7.017 ( 0.096 0.000 -2.429) 2.431 7.066 ( -0.598 0.000 0.585) 0.837 7.149 ( -9.445 0.000 -0.981) 9.496 7.245 ( 3.922 0.000 6.206) 7.342 7.366 ( -4.657 0.000 1.998) 5.067 7.618 ( 4.851 0.000 -3.818) 6.173 7.761 ( 3.797 0.000 2.565) 4.582 7.958 ( 2.617 0.000 -4.271) 5.009 8.027 ( 0.807 0.000 -2.439) 2.569 8.161 ( -1.368 0.000 -4.987) 5.171 8.219 ( -1.391 0.000 0.185) 1.403 8.260 ( 3.739 0.000 3.911) 5.411 8.347 ( 0.475 0.000 1.458) 1.533 8.473 ( -3.839 0.000 0.927) 3.949 8.644 ( 2.778 0.000 -0.435) 2.812 8.842 ( -2.321 0.000 0.850) 2.472 9.044 ( 2.394 0.000 0.018) 2.394 9.322 ( -0.725 0.000 -1.226) 1.425 9.527 ( 2.762 0.000 -0.505) 2.808 ======================= Grid point 133 (59/77) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 8.895 0.000 3.286) 9.483 0.793 ( 0.298 0.000 3.236) 3.250 0.835 ( 4.669 0.000 -2.078) 5.111 0.913 ( 9.309 0.000 -7.655) 12.052 1.018 ( 2.081 0.000 1.132) 2.369 1.041 ( -7.318 0.000 3.644) 8.175 1.247 ( -4.014 0.000 -0.909) 4.116 1.367 ( 8.097 0.000 0.088) 8.097 1.427 ( -0.123 0.000 1.050) 1.057 1.496 ( -2.106 0.000 -1.416) 2.538 1.610 ( -0.376 0.000 -0.134) 0.399 1.640 ( 1.380 0.000 0.174) 1.391 1.658 ( 1.266 0.000 -0.950) 1.583 1.681 ( -1.284 0.000 -0.579) 1.409 1.814 ( 1.724 0.000 1.627) 2.370 1.908 ( -3.559 0.000 0.578) 3.606 2.009 ( -0.260 0.000 -0.038) 0.262 2.197 ( 14.052 0.000 -8.060) 16.199 2.210 ( 0.042 0.000 -0.090) 0.099 2.258 ( 3.412 0.000 -1.882) 3.897 2.351 ( 0.030 0.000 0.050) 0.058 2.437 ( -7.119 0.000 4.126) 8.228 2.489 ( -11.420 0.000 6.826) 13.304 2.964 ( 11.662 0.000 4.197) 12.394 3.189 ( -10.430 0.000 1.115) 10.489 3.273 ( -3.430 0.000 -4.622) 5.756 3.571 ( 2.739 0.000 1.542) 3.143 3.778 ( 2.705 0.000 1.351) 3.024 4.306 ( 5.158 0.000 -2.922) 5.928 4.394 ( -6.379 0.000 1.196) 6.490 4.411 ( -0.446 0.000 -0.931) 1.033 4.544 ( -0.935 0.000 1.495) 1.764 4.550 ( -0.739 0.000 -0.861) 1.135 4.903 ( -3.163 0.000 1.643) 3.564 4.917 ( 2.139 0.000 -1.055) 2.384 5.112 ( 2.044 0.000 3.692) 4.220 5.216 ( -3.670 0.000 -4.548) 5.845 5.413 ( -1.242 0.000 2.674) 2.948 5.482 ( 0.698 0.000 -2.224) 2.330 5.595 ( 5.405 0.000 5.545) 7.743 5.672 ( 1.377 0.000 -0.342) 1.419 5.721 ( 3.335 0.000 -0.514) 3.374 5.859 ( -2.455 0.000 -2.050) 3.198 5.907 ( 1.243 0.000 1.580) 2.010 6.004 ( -0.875 0.000 -1.155) 1.449 6.094 ( -8.560 0.000 -4.861) 9.844 6.344 ( 0.011 0.000 -0.127) 0.128 6.415 ( 1.121 0.000 2.660) 2.887 6.501 ( -1.088 0.000 -2.140) 2.401 6.514 ( 0.255 0.000 0.348) 0.432 6.724 ( -1.013 0.000 -0.505) 1.132 6.750 ( -2.610 0.000 0.625) 2.684 6.978 ( -0.393 0.000 1.939) 1.979 7.023 ( 2.205 0.000 -2.619) 3.423 7.030 ( -3.536 0.000 0.219) 3.543 7.052 ( -1.381 0.000 0.956) 1.680 7.220 ( -3.594 0.000 2.514) 4.386 7.415 ( 4.034 0.000 0.712) 4.096 7.659 ( 1.548 0.000 -0.711) 1.703 7.793 ( -0.217 0.000 -0.552) 0.593 7.981 ( 1.346 0.000 -2.043) 2.446 8.028 ( 0.655 0.000 -0.080) 0.660 8.086 ( -2.830 0.000 -3.548) 4.539 8.209 ( -0.209 0.000 0.228) 0.309 8.351 ( 2.225 0.000 4.516) 5.035 8.359 ( 0.420 0.000 2.377) 2.414 8.413 ( -1.984 0.000 -3.620) 4.128 8.700 ( 2.653 0.000 0.209) 2.661 8.805 ( -1.821 0.000 0.234) 1.836 9.067 ( 0.419 0.000 -0.171) 0.452 9.313 ( -0.329 0.000 0.185) 0.378 9.557 ( 0.943 0.000 -0.547) 1.090 ======================= Grid point 136 (60/77) ======================= q-point: ( 0.00 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 0.000 3.256 0.000) 3.256 0.619 ( 0.000 -0.166 0.000) 0.166 0.896 ( -0.000 0.959 -0.000) 0.959 0.909 ( 0.000 -0.653 0.000) 0.653 0.985 ( 0.000 2.325 0.000) 2.325 1.163 ( 0.000 18.337 0.000) 18.337 1.311 ( 0.000 16.080 0.000) 16.080 1.401 ( -0.000 -4.604 0.000) 4.604 1.435 ( 0.000 23.889 -0.000) 23.889 1.530 ( 0.000 -1.353 0.000) 1.353 1.570 ( 0.000 7.957 0.000) 7.957 1.761 ( 0.000 6.336 0.000) 6.336 1.779 ( 0.000 8.339 0.000) 8.339 1.824 ( -0.000 9.070 0.000) 9.070 1.892 ( 0.000 4.347 0.000) 4.347 1.990 ( 0.000 8.768 -0.000) 8.768 1.994 ( -0.000 1.487 0.000) 1.487 2.113 ( 0.000 -0.699 0.000) 0.699 2.261 ( -0.000 18.895 0.000) 18.895 2.358 ( 0.000 13.239 0.000) 13.239 2.477 ( 0.000 6.801 0.000) 6.801 2.586 ( -0.000 3.478 0.000) 3.478 2.690 ( -0.000 -1.304 -0.000) 1.304 2.730 ( 0.000 6.628 0.000) 6.628 3.283 ( 0.000 -3.553 0.000) 3.553 3.298 ( -0.000 -3.858 0.000) 3.858 3.414 ( 0.000 -2.369 0.000) 2.369 3.757 ( -0.000 -2.773 0.000) 2.773 4.107 ( 0.000 -2.021 0.000) 2.021 4.429 ( 0.000 -3.547 0.000) 3.547 4.515 ( -0.000 -5.284 0.000) 5.284 4.780 ( -0.000 19.585 0.000) 19.585 4.789 ( 0.000 13.751 0.000) 13.751 4.948 ( 0.000 5.301 -0.000) 5.301 4.988 ( 0.000 -2.690 0.000) 2.690 5.006 ( 0.000 3.793 0.000) 3.793 5.164 ( -0.000 -7.361 0.000) 7.361 5.425 ( 0.000 -5.334 0.000) 5.334 5.531 ( 0.000 2.414 0.000) 2.414 5.589 ( 0.000 4.964 0.000) 4.964 5.740 ( 0.000 8.481 0.000) 8.481 5.802 ( 0.000 7.087 0.000) 7.087 5.887 ( 0.000 -9.730 -0.000) 9.730 5.929 ( -0.000 4.994 0.000) 4.994 5.966 ( 0.000 10.183 0.000) 10.183 6.223 ( 0.000 4.036 0.000) 4.036 6.279 ( 0.000 2.820 0.000) 2.820 6.441 ( 0.000 6.281 0.000) 6.281 6.670 ( 0.000 7.381 -0.000) 7.381 6.675 ( -0.000 0.547 0.000) 0.547 6.839 ( 0.000 -5.246 0.000) 5.246 6.882 ( -0.000 -3.121 0.000) 3.121 7.023 ( -0.000 12.339 0.000) 12.339 7.059 ( -0.000 -0.950 0.000) 0.950 7.131 ( -0.000 8.327 0.000) 8.327 7.150 ( 0.000 2.091 0.000) 2.091 7.358 ( -0.000 -2.239 -0.000) 2.239 7.417 ( 0.000 -1.762 0.000) 1.762 7.488 ( 0.000 -1.347 0.000) 1.347 7.725 ( -0.000 2.929 0.000) 2.929 8.003 ( -0.000 -1.874 0.000) 1.874 8.017 ( 0.000 5.762 -0.000) 5.762 8.183 ( 0.000 0.478 0.000) 0.478 8.194 ( -0.000 0.910 -0.000) 0.910 8.244 ( -0.000 -1.519 -0.000) 1.519 8.279 ( 0.000 -5.523 0.000) 5.523 8.478 ( 0.000 -2.787 0.000) 2.787 8.604 ( -0.000 -1.502 0.000) 1.502 8.796 ( -0.000 -6.285 0.000) 6.285 8.990 ( 0.000 -1.832 0.000) 1.832 9.302 ( 0.000 -3.765 0.000) 3.765 9.461 ( 0.000 -2.750 0.000) 2.750 ======================= Grid point 138 (61/77) ======================= q-point: ( 0.20 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 13.896 2.400 -0.151) 14.102 0.677 ( 9.212 2.939 -5.702) 11.225 0.831 ( -1.146 0.064 -3.961) 4.124 0.976 ( 5.056 4.357 1.509) 6.843 1.105 ( 6.382 4.019 3.215) 8.199 1.228 ( 2.231 6.891 -2.019) 7.519 1.288 ( 0.849 15.059 0.491) 15.091 1.371 ( -1.376 7.938 3.265) 8.693 1.479 ( 3.278 13.678 -0.816) 14.088 1.519 ( -1.197 0.917 -1.273) 1.974 1.577 ( 0.206 6.066 4.285) 7.430 1.736 ( -1.158 4.700 -3.740) 6.117 1.769 ( -0.186 10.250 -0.037) 10.252 1.823 ( -1.260 6.799 -1.002) 6.987 1.873 ( -1.528 5.175 -0.803) 5.456 1.972 ( -1.358 3.181 1.407) 3.734 2.060 ( 5.292 6.895 2.199) 8.965 2.139 ( 2.815 -0.688 -2.192) 3.634 2.271 ( 1.291 17.205 -0.143) 17.254 2.352 ( -0.383 12.504 -1.191) 12.567 2.466 ( -2.280 4.919 2.753) 6.081 2.588 ( -1.080 6.015 3.314) 6.952 2.630 ( -4.135 4.929 -4.510) 7.857 2.790 ( 5.012 2.592 5.193) 7.669 3.229 ( -3.211 -4.625 -0.400) 5.645 3.375 ( 1.218 -3.055 -1.630) 3.670 3.400 ( 0.280 -3.337 1.884) 3.842 3.708 ( -2.697 -3.411 0.699) 4.404 4.171 ( 6.311 -2.028 -1.473) 6.791 4.453 ( -3.279 -5.165 -0.068) 6.119 4.493 ( 1.962 -3.654 -0.768) 4.218 4.741 ( -3.431 14.694 1.332) 15.148 4.763 ( -2.035 16.153 -0.442) 16.287 4.920 ( -5.511 3.059 0.841) 6.358 4.994 ( -1.072 1.847 2.036) 2.950 5.010 ( 2.843 -1.641 1.627) 3.664 5.192 ( 3.440 0.953 -0.560) 3.614 5.382 ( -2.363 -5.257 -1.628) 5.990 5.551 ( 1.523 2.760 -0.772) 3.245 5.580 ( -0.450 5.374 2.227) 5.835 5.742 ( -0.743 5.663 1.022) 5.803 5.811 ( 0.776 9.071 0.367) 9.112 5.877 ( 0.220 -8.731 -4.432) 9.794 5.954 ( 1.168 2.130 2.634) 3.583 5.985 ( 2.320 11.531 -1.526) 11.860 6.219 ( -2.219 5.799 0.557) 6.234 6.251 ( -0.723 2.051 -1.868) 2.867 6.428 ( -1.508 4.364 0.063) 4.617 6.642 ( -2.879 1.955 2.765) 4.445 6.711 ( 2.480 3.876 -1.119) 4.736 6.769 ( -6.353 2.621 -1.804) 7.106 6.873 ( -0.463 -0.984 -0.420) 1.166 6.996 ( -2.545 7.969 -0.388) 8.375 7.046 ( -1.496 -0.443 0.057) 1.561 7.068 ( -1.081 7.259 0.882) 7.392 7.198 ( -7.774 1.279 -2.093) 8.152 7.291 ( 4.362 2.921 4.105) 6.664 7.359 ( -5.377 -0.265 5.592) 7.762 7.549 ( 5.325 -5.628 -4.934) 9.186 7.797 ( 1.816 2.796 5.061) 6.060 7.980 ( -1.354 0.008 -0.788) 1.566 8.012 ( 1.075 -0.101 -5.357) 5.465 8.140 ( -2.921 -1.373 -4.908) 5.874 8.207 ( -0.761 -1.247 0.101) 1.465 8.255 ( 3.663 0.029 3.398) 4.997 8.312 ( 1.262 -3.149 1.644) 3.770 8.472 ( -1.935 -0.073 0.448) 1.988 8.603 ( 1.596 -3.735 -0.792) 4.138 8.781 ( -1.522 -5.548 0.323) 5.762 9.014 ( 1.733 -2.735 -0.102) 3.239 9.287 ( -0.732 -3.296 -1.050) 3.536 9.487 ( 2.005 -3.679 -0.175) 4.194 ======================= Grid point 139 (62/77) ======================= q-point: ( 0.40 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 9.206 1.497 0.911) 9.372 0.829 ( 2.704 0.070 -1.883) 3.296 0.874 ( 11.301 1.939 -1.206) 11.530 1.043 ( 0.773 10.085 1.228) 10.189 1.123 ( -2.809 8.337 1.912) 9.003 1.160 ( -6.745 2.808 -2.406) 7.692 1.323 ( 1.471 10.011 1.960) 10.307 1.448 ( 3.552 2.072 -1.151) 4.270 1.487 ( 0.081 8.793 2.298) 9.089 1.514 ( 0.525 10.434 -0.682) 10.470 1.628 ( 1.325 4.004 0.021) 4.217 1.699 ( -0.397 1.663 -1.320) 2.160 1.762 ( -2.103 7.051 -1.353) 7.482 1.775 ( 0.369 11.249 0.238) 11.258 1.874 ( 1.614 4.823 0.157) 5.089 1.948 ( -1.982 4.948 -0.292) 5.338 2.139 ( 1.207 3.506 1.145) 3.881 2.211 ( 7.649 1.588 -3.637) 8.618 2.290 ( -0.189 9.575 -0.810) 9.611 2.335 ( -0.385 11.016 -1.370) 11.107 2.412 ( -4.904 2.774 3.570) 6.670 2.543 ( -3.255 11.701 0.452) 12.154 2.583 ( -0.526 13.969 0.941) 14.010 2.954 ( 9.946 -0.751 3.819) 10.681 3.153 ( -6.830 -2.741 4.741) 8.754 3.260 ( -5.911 -0.339 -7.085) 9.233 3.459 ( 1.949 -7.819 0.729) 8.091 3.725 ( 2.139 -4.795 1.607) 5.491 4.274 ( 5.883 -2.419 -4.501) 7.792 4.346 ( -6.199 -4.107 2.421) 7.820 4.512 ( -0.450 -3.133 -0.477) 3.201 4.696 ( -1.950 15.300 0.923) 15.452 4.748 ( 0.077 15.759 0.426) 15.765 4.843 ( -2.753 -1.393 1.716) 3.530 4.977 ( -0.586 1.088 -0.699) 1.420 5.068 ( 1.649 -0.304 2.005) 2.614 5.229 ( 0.140 4.261 -1.577) 4.546 5.385 ( 3.323 1.417 0.589) 3.660 5.540 ( -1.214 8.182 0.390) 8.281 5.637 ( 2.444 -1.113 1.080) 2.895 5.715 ( -1.780 -1.133 3.421) 4.019 5.805 ( -0.933 -4.559 -4.254) 6.305 5.869 ( 1.036 5.341 -2.028) 5.806 5.976 ( 0.419 3.565 0.375) 3.609 6.032 ( 3.305 12.976 0.903) 13.421 6.131 ( -5.266 9.757 -1.584) 11.200 6.272 ( 1.940 1.322 0.480) 2.396 6.389 ( -2.196 0.856 -0.902) 2.524 6.576 ( -3.774 -2.098 0.326) 4.330 6.691 ( -1.510 10.621 0.772) 10.756 6.743 ( 1.154 5.066 -0.416) 5.213 6.876 ( 1.143 3.254 -0.718) 3.523 6.943 ( -2.970 2.370 -0.361) 3.816 7.020 ( -1.157 1.392 0.327) 1.839 7.059 ( -0.955 2.663 -0.153) 2.833 7.088 ( -2.108 1.236 0.043) 2.444 7.307 ( -1.782 6.972 2.693) 7.684 7.399 ( 3.229 -1.480 1.408) 3.821 7.616 ( 3.700 -3.676 -1.141) 5.339 7.787 ( -2.975 -0.523 0.328) 3.039 7.966 ( -0.284 -3.741 -0.114) 3.754 8.013 ( 1.478 -0.635 -2.012) 2.576 8.058 ( -2.863 -0.689 -2.772) 4.044 8.206 ( 0.038 -0.168 0.043) 0.178 8.331 ( 0.353 -2.477 0.556) 2.563 8.342 ( 3.178 -0.756 5.099) 6.056 8.415 ( -2.882 0.224 -3.368) 4.439 8.658 ( 3.271 -3.912 0.556) 5.130 8.749 ( -1.993 -5.040 -0.126) 5.421 9.031 ( 0.392 -3.230 -0.173) 3.258 9.274 ( -0.397 -3.417 -0.044) 3.440 9.510 ( 0.682 -4.379 -0.337) 4.445 ======================= Grid point 142 (63/77) ======================= q-point: ( 0.00 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 0.000 20.847 0.000) 20.847 0.774 ( -0.000 11.708 0.000) 11.708 0.887 ( 0.000 0.909 0.000) 0.909 0.991 ( -0.000 9.441 0.000) 9.441 1.060 ( 0.000 5.602 0.000) 5.602 1.350 ( 0.000 0.261 0.000) 0.261 1.462 ( 0.000 8.420 0.000) 8.420 1.585 ( -0.000 8.216 0.000) 8.216 1.611 ( 0.000 7.603 -0.000) 7.603 1.690 ( 0.000 5.134 0.000) 5.134 1.807 ( 0.000 0.391 0.000) 0.391 1.940 ( 0.000 6.023 0.000) 6.023 1.952 ( -0.000 16.995 0.000) 16.995 2.047 ( -0.000 9.779 0.000) 9.779 2.055 ( 0.000 16.326 0.000) 16.326 2.082 ( 0.000 6.464 0.000) 6.464 2.108 ( 0.000 9.254 0.000) 9.254 2.314 ( 0.000 13.570 0.000) 13.570 2.538 ( 0.000 6.809 0.000) 6.809 2.618 ( 0.000 14.797 0.000) 14.797 2.676 ( -0.000 3.748 0.000) 3.748 2.713 ( 0.000 18.286 0.000) 18.286 2.879 ( 0.000 14.955 0.000) 14.955 2.941 ( -0.000 13.103 0.000) 13.103 3.191 ( 0.000 -3.640 0.000) 3.640 3.233 ( -0.000 -0.810 0.000) 0.810 3.371 ( 0.000 -1.337 0.000) 1.337 3.704 ( -0.000 -1.480 0.000) 1.480 4.078 ( 0.000 -0.446 0.000) 0.446 4.342 ( 0.000 -4.891 0.000) 4.891 4.393 ( 0.000 -5.774 0.000) 5.774 4.827 ( 0.000 -4.729 0.000) 4.729 4.906 ( -0.000 -2.045 0.000) 2.045 4.962 ( 0.000 -3.099 0.000) 3.099 5.011 ( -0.000 -1.518 0.000) 1.518 5.185 ( 0.000 8.666 0.000) 8.666 5.312 ( 0.000 16.861 0.000) 16.861 5.324 ( -0.000 -2.746 0.000) 2.746 5.625 ( 0.000 0.962 0.000) 0.962 5.669 ( 0.000 11.107 -0.000) 11.107 5.769 ( -0.000 -2.486 0.000) 2.486 5.877 ( -0.000 -0.791 0.000) 0.791 5.910 ( -0.000 6.739 0.000) 6.739 6.099 ( 0.000 11.825 0.000) 11.825 6.311 ( -0.000 20.090 0.000) 20.090 6.339 ( 0.000 7.891 0.000) 7.891 6.465 ( -0.000 12.372 0.000) 12.372 6.644 ( -0.000 -1.407 0.000) 1.407 6.682 ( 0.000 -2.770 0.000) 2.770 6.731 ( 0.000 13.231 -0.000) 13.231 6.783 ( -0.000 1.679 0.000) 1.679 6.866 ( -0.000 4.415 0.000) 4.415 7.025 ( 0.000 -2.544 0.000) 2.544 7.166 ( -0.000 -7.593 0.000) 7.593 7.180 ( 0.000 -0.751 -0.000) 0.751 7.278 ( -0.000 8.586 0.000) 8.586 7.307 ( 0.000 -0.768 0.000) 0.768 7.346 ( 0.000 2.764 0.000) 2.764 7.536 ( 0.000 5.168 0.000) 5.168 7.799 ( -0.000 3.098 0.000) 3.098 7.946 ( 0.000 -2.643 0.000) 2.643 8.076 ( -0.000 -0.127 0.000) 0.127 8.126 ( 0.000 -8.292 0.000) 8.292 8.204 ( 0.000 1.767 0.000) 1.767 8.221 ( -0.000 -0.489 0.000) 0.489 8.264 ( -0.000 4.697 0.000) 4.697 8.421 ( 0.000 -2.466 0.000) 2.466 8.562 ( 0.000 -2.674 0.000) 2.674 8.642 ( -0.000 -7.872 0.000) 7.872 8.935 ( 0.000 -3.540 0.000) 3.540 9.206 ( 0.000 -5.353 0.000) 5.353 9.383 ( 0.000 -4.702 0.000) 4.702 ======================= Grid point 144 (64/77) ======================= q-point: ( 0.20 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 7.393 16.628 0.743) 18.212 0.826 ( 2.014 6.025 2.389) 6.787 0.892 ( 4.887 8.426 -7.377) 12.219 1.035 ( 5.365 6.258 -1.452) 8.370 1.150 ( 7.391 3.392 4.172) 9.140 1.331 ( -1.921 2.776 -1.253) 3.601 1.469 ( 0.723 4.195 -0.276) 4.266 1.557 ( -5.651 10.491 2.796) 12.240 1.610 ( 2.434 6.302 -6.154) 9.139 1.696 ( -1.538 4.923 7.170) 8.832 1.784 ( -1.802 0.647 0.147) 1.921 1.902 ( -1.233 7.731 -2.202) 8.133 1.984 ( 2.273 13.857 0.236) 14.044 2.034 ( -1.743 13.953 -0.379) 14.066 2.050 ( -0.223 12.883 0.870) 12.914 2.096 ( -0.417 8.932 -2.112) 9.187 2.133 ( 3.676 7.976 0.360) 8.790 2.320 ( 0.546 11.931 -0.595) 11.959 2.504 ( -2.705 7.185 0.020) 7.677 2.622 ( -0.838 13.493 1.452) 13.597 2.679 ( 0.506 15.020 0.585) 15.040 2.759 ( 4.814 10.282 -1.499) 11.451 2.859 ( -1.116 11.724 3.131) 12.186 2.979 ( 3.323 15.306 -4.311) 16.245 3.141 ( -3.199 -0.830 1.483) 3.622 3.287 ( 2.253 -3.068 1.823) 4.220 3.374 ( -0.335 -0.444 2.376) 2.440 3.641 ( -4.920 -1.732 -1.239) 5.361 4.130 ( 5.397 -2.043 -2.632) 6.343 4.326 ( -3.148 -6.673 -1.030) 7.450 4.405 ( 1.972 -3.975 1.439) 4.665 4.759 ( -6.039 -4.749 0.374) 7.691 4.887 ( -1.431 -1.164 0.944) 2.073 4.920 ( 0.621 -1.144 -0.971) 1.624 5.143 ( 4.836 4.574 3.474) 7.509 5.166 ( -4.480 3.682 -0.597) 5.830 5.289 ( 5.210 4.120 -3.588) 7.549 5.356 ( 1.782 9.396 0.366) 9.571 5.621 ( -0.881 1.857 2.155) 2.978 5.642 ( -2.888 5.685 3.494) 7.271 5.773 ( 0.763 -0.637 -5.080) 5.176 5.902 ( 1.509 5.780 -2.005) 6.301 5.917 ( 0.360 3.361 5.747) 6.667 6.081 ( -2.292 11.036 0.373) 11.278 6.296 ( 0.363 13.447 -2.660) 13.712 6.353 ( 1.312 10.048 -2.449) 10.425 6.454 ( -1.037 13.600 0.324) 13.643 6.587 ( -3.746 -1.056 -0.451) 3.918 6.682 ( -3.110 12.589 -0.142) 12.968 6.734 ( 0.592 -1.292 5.546) 5.725 6.790 ( -0.201 3.912 -0.181) 3.921 6.881 ( 2.240 2.597 -2.490) 4.239 6.982 ( -3.767 -4.060 1.019) 5.631 7.127 ( -5.103 0.779 -1.037) 5.265 7.198 ( -0.944 -3.483 2.245) 4.250 7.246 ( 0.809 3.168 -4.777) 5.789 7.309 ( -0.271 7.208 0.131) 7.215 7.399 ( 5.490 2.929 4.108) 7.456 7.493 ( -2.103 2.879 -0.833) 3.661 7.825 ( -1.601 -2.643 2.782) 4.157 7.916 ( -2.243 -1.182 0.111) 2.538 8.028 ( -2.942 -0.252 -3.050) 4.245 8.132 ( -1.151 -2.757 1.781) 3.478 8.188 ( 0.744 2.044 -3.624) 4.227 8.251 ( 1.396 -1.462 1.446) 2.486 8.272 ( 1.566 1.335 1.507) 2.551 8.460 ( 3.598 -1.630 -0.060) 3.950 8.518 ( -3.551 -3.653 -1.607) 5.342 8.649 ( 0.380 -6.429 0.216) 6.444 8.942 ( 0.532 -4.236 -0.103) 4.270 9.199 ( -0.465 -4.999 -0.611) 5.057 9.390 ( 0.467 -5.560 0.166) 5.582 ======================= Grid point 145 (65/77) ======================= q-point: ( 0.40 0.15 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.839 ( 0.976 3.791 0.461) 3.942 0.879 ( 8.411 9.479 1.372) 12.747 0.969 ( 2.191 7.412 -2.984) 8.285 1.122 ( 3.773 4.513 0.003) 5.882 1.238 ( -1.075 7.333 -0.256) 7.416 1.334 ( 4.429 2.670 0.511) 5.197 1.427 ( -6.504 3.829 0.748) 7.584 1.489 ( -0.245 6.722 -0.032) 6.726 1.629 ( 3.184 5.938 -6.705) 9.506 1.691 ( -3.766 4.152 8.706) 10.354 1.767 ( 0.384 3.554 -0.793) 3.661 1.883 ( -0.004 5.174 -1.136) 5.297 2.008 ( -0.253 11.348 -0.297) 11.355 2.023 ( 1.032 12.563 0.142) 12.607 2.031 ( -1.763 12.527 -0.363) 12.655 2.106 ( 2.108 13.715 -0.329) 13.880 2.170 ( 0.373 8.930 -0.537) 8.954 2.323 ( 0.343 10.381 -1.308) 10.469 2.463 ( -2.035 7.029 1.708) 7.514 2.600 ( -1.213 13.267 -0.046) 13.322 2.692 ( 0.439 20.856 0.174) 20.861 2.845 ( 4.544 10.585 -2.573) 11.803 2.889 ( 1.913 4.279 3.825) 6.050 2.967 ( -1.767 13.582 -5.385) 14.717 3.151 ( 1.908 3.851 9.951) 10.839 3.294 ( -3.305 -1.201 -2.412) 4.264 3.340 ( -1.836 4.308 -2.063) 5.118 3.600 ( 0.435 -6.987 1.020) 7.074 4.185 ( 1.515 -6.748 -5.231) 8.671 4.268 ( -1.584 -2.699 2.529) 4.023 4.438 ( 0.582 -3.565 0.381) 3.633 4.685 ( -2.084 -4.759 0.655) 5.236 4.890 ( 1.299 -0.776 -0.586) 1.623 4.945 ( 1.623 1.559 1.557) 2.737 5.023 ( -6.566 4.910 -1.100) 8.272 5.253 ( 3.607 9.984 5.884) 12.137 5.345 ( -0.387 3.780 -5.232) 6.466 5.436 ( 7.622 0.387 -1.649) 7.807 5.588 ( -4.919 6.066 2.930) 8.341 5.636 ( 0.718 -1.762 3.815) 4.263 5.743 ( -0.656 1.004 -5.544) 5.672 5.910 ( 0.096 17.184 -0.155) 17.185 5.949 ( 0.169 1.519 2.340) 2.795 6.040 ( -1.432 4.715 0.419) 4.946 6.311 ( 2.275 9.740 -1.874) 10.176 6.353 ( -0.208 9.082 -2.306) 9.373 6.447 ( -0.020 15.054 1.389) 15.118 6.538 ( -1.734 0.905 0.982) 2.188 6.604 ( -3.887 16.054 -0.484) 16.525 6.770 ( 1.437 -1.990 -0.821) 2.588 6.782 ( -1.001 1.747 3.119) 3.713 6.905 ( 1.508 0.440 -2.209) 2.711 6.935 ( -1.413 -0.678 -0.407) 1.619 7.009 ( -5.462 -4.082 1.280) 6.938 7.181 ( -0.538 8.533 -0.399) 8.559 7.246 ( 0.128 10.558 -1.596) 10.679 7.348 ( 2.772 -0.740 1.713) 3.341 7.441 ( -2.075 3.770 0.331) 4.316 7.558 ( 8.105 -0.890 0.226) 8.157 7.753 ( -6.366 -5.329 2.596) 8.698 7.862 ( -3.052 -1.593 -0.818) 3.539 7.993 ( 0.023 -1.222 -1.869) 2.233 8.096 ( -1.381 2.630 -0.504) 3.013 8.209 ( 1.388 0.813 -1.176) 1.992 8.271 ( 0.323 -2.619 0.611) 2.709 8.331 ( 3.327 -0.542 2.881) 4.434 8.416 ( -4.245 -0.332 -2.478) 4.927 8.561 ( 4.938 -4.638 0.592) 6.800 8.635 ( -2.366 -5.267 -0.217) 5.779 8.947 ( 0.108 -4.883 -0.117) 4.885 9.189 ( -0.292 -4.635 -0.188) 4.648 9.394 ( 0.059 -6.549 -0.029) 6.549 ======================= Grid point 148 (66/77) ======================= q-point: ( 0.00 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.000 5.522 0.000) 5.522 0.980 ( 0.000 7.032 0.000) 7.032 1.035 ( 0.000 9.102 0.000) 9.102 1.204 ( 0.000 9.402 -0.000) 9.402 1.233 ( 0.000 12.022 0.000) 12.022 1.411 ( 0.000 5.326 0.000) 5.326 1.560 ( -0.000 3.546 0.000) 3.546 1.654 ( 0.000 -0.294 0.000) 0.294 1.791 ( -0.000 6.251 0.000) 6.251 1.800 ( 0.000 9.811 -0.000) 9.811 1.857 ( 0.000 5.582 0.000) 5.582 2.034 ( 0.000 4.604 0.000) 4.604 2.153 ( -0.000 7.270 0.000) 7.270 2.229 ( -0.000 7.464 0.000) 7.464 2.256 ( 0.000 5.342 0.000) 5.342 2.278 ( 0.000 6.119 0.000) 6.119 2.299 ( -0.000 6.909 0.000) 6.909 2.506 ( 0.000 2.206 0.000) 2.206 2.788 ( 0.000 11.426 0.000) 11.426 2.846 ( -0.000 4.381 0.000) 4.381 2.880 ( 0.000 14.548 0.000) 14.548 2.911 ( -0.000 3.828 0.000) 3.828 3.091 ( 0.000 10.885 0.000) 10.885 3.127 ( -0.000 2.353 0.000) 2.353 3.275 ( -0.000 11.240 0.000) 11.240 3.352 ( -0.000 10.208 0.000) 10.208 3.468 ( 0.000 13.658 0.000) 13.658 3.745 ( 0.000 6.307 0.000) 6.307 4.113 ( -0.000 4.412 0.000) 4.412 4.223 ( 0.000 -5.697 0.000) 5.697 4.327 ( -0.000 -0.631 0.000) 0.631 4.713 ( 0.000 -6.453 0.000) 6.453 4.849 ( -0.000 -5.595 0.000) 5.595 4.880 ( 0.000 -2.340 0.000) 2.340 5.006 ( 0.000 1.426 0.000) 1.426 5.190 ( -0.000 -4.338 0.000) 4.338 5.439 ( -0.000 9.008 0.000) 9.008 5.493 ( 0.000 -0.068 0.000) 0.068 5.626 ( 0.000 0.216 0.000) 0.216 5.677 ( 0.000 -5.734 0.000) 5.734 5.857 ( -0.000 -0.759 0.000) 0.759 5.892 ( -0.000 9.644 0.000) 9.644 6.056 ( -0.000 7.220 0.000) 7.220 6.308 ( 0.000 7.200 0.000) 7.200 6.488 ( -0.000 -10.104 0.000) 10.104 6.509 ( -0.000 7.836 0.000) 7.836 6.592 ( -0.000 0.849 0.000) 0.849 6.665 ( 0.000 9.893 0.000) 9.893 6.731 ( 0.000 5.483 0.000) 5.483 6.920 ( 0.000 5.098 -0.000) 5.098 6.954 ( 0.000 13.344 -0.000) 13.344 6.979 ( -0.000 2.940 0.000) 2.940 7.054 ( -0.000 1.147 0.000) 1.147 7.106 ( 0.000 -4.687 0.000) 4.687 7.158 ( 0.000 17.806 0.000) 17.806 7.286 ( -0.000 -1.459 0.000) 1.459 7.371 ( 0.000 5.837 0.000) 5.837 7.473 ( 0.000 4.830 0.000) 4.830 7.700 ( 0.000 8.653 0.000) 8.653 7.785 ( -0.000 -2.538 0.000) 2.538 7.975 ( 0.000 4.080 0.000) 4.080 7.986 ( 0.000 -3.528 0.000) 3.528 8.071 ( 0.000 -0.153 0.000) 0.153 8.217 ( -0.000 -0.121 0.000) 0.121 8.250 ( 0.000 2.106 0.000) 2.106 8.323 ( -0.000 0.675 0.000) 0.675 8.394 ( -0.000 0.233 0.000) 0.233 8.480 ( 0.000 -4.286 0.000) 4.286 8.532 ( 0.000 -2.924 0.000) 2.924 8.849 ( 0.000 -4.702 0.000) 4.702 9.095 ( 0.000 -5.267 0.000) 5.267 9.277 ( 0.000 -5.467 0.000) 5.467 ======================= Grid point 150 (67/77) ======================= q-point: ( 0.20 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( 1.986 5.173 -2.790) 6.204 0.952 ( -2.011 5.412 2.494) 6.289 1.103 ( 5.497 7.527 0.628) 9.342 1.224 ( 2.640 8.317 -1.347) 8.829 1.265 ( 2.897 9.533 0.260) 9.967 1.426 ( 1.937 5.365 -2.026) 6.053 1.534 ( -3.594 5.106 3.225) 7.027 1.674 ( 2.927 -0.210 -3.380) 4.476 1.762 ( -4.032 9.228 -1.072) 10.127 1.790 ( -0.600 5.868 2.586) 6.440 1.854 ( -0.360 7.953 2.363) 8.304 2.005 ( -1.521 5.168 -1.677) 5.642 2.182 ( 0.464 7.267 1.078) 7.361 2.213 ( -2.198 5.670 -0.614) 6.112 2.257 ( -0.066 5.308 0.880) 5.381 2.282 ( 2.132 7.075 -1.274) 7.498 2.326 ( 3.038 7.559 0.416) 8.157 2.504 ( 0.217 2.750 0.128) 2.761 2.738 ( -3.730 3.679 -2.094) 5.642 2.841 ( 0.116 9.678 -0.280) 9.683 2.921 ( 0.976 11.195 -1.490) 11.336 2.945 ( 3.053 8.225 0.553) 8.791 3.035 ( -0.919 10.516 3.094) 11.000 3.211 ( 2.681 1.612 1.572) 3.501 3.276 ( 1.073 11.025 0.414) 11.084 3.361 ( 1.378 10.325 -1.282) 10.495 3.453 ( -1.688 12.190 2.259) 12.512 3.713 ( -2.678 9.566 -1.929) 10.119 4.093 ( -1.645 -1.577 -2.170) 3.147 4.222 ( 0.840 -1.760 -1.366) 2.381 4.357 ( 2.018 -0.282 1.731) 2.674 4.661 ( -4.187 -4.828 0.519) 6.412 4.861 ( 1.103 -2.397 -2.767) 3.823 4.903 ( 2.443 -0.795 2.491) 3.578 5.092 ( 7.902 -4.427 -1.012) 9.114 5.146 ( -4.372 -3.245 -1.635) 5.685 5.403 ( -1.401 4.219 0.634) 4.491 5.535 ( 2.285 2.867 -0.342) 3.682 5.620 ( -0.886 0.887 1.386) 1.869 5.674 ( -1.680 -2.215 2.953) 4.056 5.810 ( -1.098 2.157 -3.731) 4.448 5.943 ( 1.623 4.481 5.217) 7.066 6.101 ( 5.156 8.267 -2.214) 9.992 6.268 ( -5.258 3.836 -1.572) 6.696 6.422 ( -2.196 3.015 -2.080) 4.271 6.507 ( -1.294 -2.478 2.576) 3.801 6.566 ( -1.811 2.022 -0.839) 2.841 6.664 ( -2.221 5.029 2.564) 6.066 6.748 ( 1.387 5.513 -1.298) 5.831 6.897 ( -1.921 7.171 3.715) 8.301 6.961 ( -3.327 7.056 2.302) 8.133 6.990 ( 2.607 12.030 -0.726) 12.330 7.051 ( -1.913 2.418 -1.143) 3.288 7.118 ( -2.067 5.808 -0.418) 6.179 7.157 ( 3.546 2.308 -2.925) 5.144 7.258 ( 3.413 4.385 -2.290) 6.010 7.433 ( 2.169 3.420 2.161) 4.590 7.491 ( 2.401 4.258 1.137) 5.019 7.627 ( -5.306 7.182 -1.993) 9.149 7.739 ( -5.380 -1.330 1.262) 5.684 7.963 ( -2.078 3.196 0.762) 3.888 8.012 ( -1.614 -1.587 -2.780) 3.585 8.057 ( 2.474 -1.383 3.393) 4.421 8.247 ( 1.791 0.479 1.476) 2.369 8.251 ( 0.639 2.260 -1.993) 3.080 8.305 ( -1.500 1.721 -0.712) 2.391 8.407 ( 1.800 -2.329 -0.638) 3.012 8.474 ( -0.096 -0.874 -1.163) 1.458 8.547 ( 0.948 -3.486 1.103) 3.777 8.845 ( -0.333 -5.067 -0.190) 5.082 9.095 ( 0.003 -5.011 -0.252) 5.017 9.270 ( -0.820 -6.013 0.192) 6.072 ======================= Grid point 151 (68/77) ======================= q-point: ( 0.40 0.23 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 0.221 5.371 -0.308) 5.384 0.961 ( 0.931 1.187 0.423) 1.567 1.204 ( 4.594 6.580 1.989) 8.268 1.258 ( 1.039 6.283 -2.743) 6.934 1.311 ( 1.592 3.726 0.380) 4.070 1.419 ( -2.310 0.197 -1.353) 2.685 1.499 ( -0.275 13.796 0.933) 13.830 1.706 ( 0.890 3.479 -0.536) 3.631 1.715 ( 0.072 7.506 -0.790) 7.547 1.795 ( -0.363 4.918 2.164) 5.385 1.845 ( -1.028 10.194 0.725) 10.271 1.990 ( 0.721 6.023 -0.480) 6.085 2.119 ( -4.373 1.545 -1.607) 4.908 2.201 ( -0.052 8.457 0.110) 8.457 2.246 ( -0.560 7.985 0.192) 8.007 2.352 ( 3.207 8.036 -0.058) 8.653 2.375 ( 1.588 6.804 0.335) 6.995 2.539 ( 3.552 3.280 1.406) 5.035 2.658 ( -4.157 1.159 -1.251) 4.493 2.835 ( -0.824 8.836 0.070) 8.875 2.872 ( -2.032 12.581 -1.542) 12.837 3.028 ( 3.366 3.088 1.114) 4.702 3.078 ( 3.711 11.173 -0.832) 11.802 3.183 ( -4.580 11.249 1.604) 12.251 3.328 ( 2.162 8.346 0.131) 8.622 3.391 ( 1.526 9.126 1.254) 9.337 3.448 ( -0.003 3.095 1.500) 3.440 3.650 ( -2.395 17.001 -2.097) 17.297 4.045 ( -1.690 -4.986 -1.598) 5.502 4.243 ( 1.324 0.658 -0.446) 1.544 4.391 ( 0.842 -0.521 0.601) 1.159 4.607 ( -1.803 -3.184 0.446) 3.686 4.872 ( 1.454 -1.368 -1.880) 2.742 4.973 ( 2.801 0.112 4.270) 5.108 5.047 ( -4.321 -0.993 -3.080) 5.399 5.189 ( 2.347 -7.202 -0.875) 7.625 5.437 ( 3.973 -0.069 0.416) 3.996 5.546 ( -0.195 5.042 -0.494) 5.070 5.604 ( -1.193 0.913 0.007) 1.502 5.636 ( -3.356 -0.516 2.492) 4.212 5.802 ( 0.700 3.680 -1.090) 3.901 5.995 ( 2.200 3.319 2.789) 4.861 6.099 ( -4.745 4.618 -1.787) 6.859 6.266 ( 8.483 3.420 -2.169) 9.400 6.393 ( -3.759 9.215 1.204) 10.025 6.489 ( -1.221 -0.002 -1.845) 2.212 6.527 ( -1.484 -5.865 1.163) 6.161 6.625 ( -2.450 3.134 1.375) 4.209 6.757 ( 0.351 7.141 -0.615) 7.177 6.887 ( -1.384 7.044 2.032) 7.461 6.924 ( -0.903 10.850 2.950) 11.281 6.957 ( -3.949 0.558 -1.784) 4.369 7.029 ( 1.965 12.017 -1.881) 12.321 7.085 ( -1.355 14.716 0.641) 14.792 7.240 ( 3.510 -1.105 -0.790) 3.763 7.322 ( 3.249 2.172 -2.047) 4.412 7.471 ( 2.572 7.226 0.327) 7.677 7.532 ( -1.659 3.155 0.107) 3.567 7.566 ( 1.990 2.385 -0.793) 3.206 7.631 ( -6.638 -1.776 2.989) 7.493 7.911 ( -2.714 4.173 0.396) 4.993 7.980 ( -0.373 -0.009 -2.074) 2.108 8.104 ( 0.401 -1.129 2.376) 2.661 8.248 ( 1.056 1.828 -2.744) 3.462 8.263 ( -0.817 2.480 0.360) 2.636 8.304 ( 1.055 -2.248 0.684) 2.575 8.416 ( -0.590 0.941 -0.048) 1.112 8.502 ( 3.554 -1.141 -0.750) 3.807 8.550 ( -1.533 -2.961 0.692) 3.405 8.838 ( -0.236 -5.543 -0.123) 5.549 9.094 ( 0.051 -4.561 -0.171) 4.564 9.256 ( -0.630 -6.849 0.123) 6.879 ======================= Grid point 154 (69/77) ======================= q-point: ( 0.00 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 0.473 0.000) 0.473 1.055 ( -0.000 1.526 0.000) 1.526 1.109 ( 0.000 3.297 0.000) 3.297 1.414 ( 0.000 0.132 0.000) 0.132 1.422 ( -0.000 10.136 0.000) 10.136 1.471 ( 0.000 5.196 0.000) 5.196 1.675 ( 0.000 2.459 0.000) 2.459 1.714 ( -0.000 11.231 0.000) 11.231 1.927 ( 0.000 1.192 0.000) 1.192 1.950 ( 0.000 8.791 0.000) 8.791 1.996 ( 0.000 8.839 0.000) 8.839 2.189 ( 0.000 9.354 0.000) 9.354 2.247 ( 0.000 -1.017 0.000) 1.017 2.291 ( -0.000 2.217 0.000) 2.217 2.340 ( 0.000 -1.545 0.000) 1.545 2.344 ( -0.000 3.607 0.000) 3.607 2.380 ( -0.000 2.430 0.000) 2.430 2.489 ( -0.000 -1.136 0.000) 1.136 2.823 ( 0.000 -3.532 0.000) 3.532 2.833 ( -0.000 -0.505 -0.000) 0.505 2.974 ( 0.000 -4.236 -0.000) 4.236 3.126 ( 0.000 4.133 0.000) 4.133 3.148 ( -0.000 10.617 0.000) 10.617 3.417 ( 0.000 11.144 0.000) 11.144 3.511 ( -0.000 8.086 0.000) 8.086 3.560 ( -0.000 14.042 0.000) 14.042 3.771 ( 0.000 13.327 0.000) 13.327 3.938 ( 0.000 11.122 0.000) 11.122 4.166 ( -0.000 0.729 0.000) 0.729 4.248 ( 0.000 7.821 0.000) 7.821 4.364 ( -0.000 4.133 0.000) 4.133 4.566 ( -0.000 -7.914 0.000) 7.914 4.634 ( 0.000 -15.344 0.000) 15.344 4.862 ( 0.000 0.239 0.000) 0.239 5.000 ( -0.000 -6.470 0.000) 6.470 5.108 ( 0.000 -0.216 0.000) 0.216 5.434 ( -0.000 -0.665 0.000) 0.665 5.564 ( 0.000 0.435 0.000) 0.435 5.633 ( 0.000 5.506 0.000) 5.506 5.684 ( -0.000 4.525 -0.000) 4.525 5.837 ( -0.000 -1.313 0.000) 1.313 6.071 ( -0.000 7.643 0.000) 7.643 6.139 ( -0.000 -0.419 0.000) 0.419 6.249 ( 0.000 -8.593 0.000) 8.593 6.464 ( -0.000 5.224 0.000) 5.224 6.544 ( 0.000 -2.501 0.000) 2.501 6.667 ( -0.000 5.748 0.000) 5.748 6.717 ( 0.000 -0.766 -0.000) 0.766 6.826 ( -0.000 4.430 0.000) 4.430 6.922 ( 0.000 -5.602 0.000) 5.602 7.052 ( 0.000 -0.801 0.000) 0.801 7.086 ( -0.000 6.680 0.000) 6.680 7.152 ( 0.000 6.306 0.000) 6.306 7.176 ( 0.000 5.952 0.000) 5.952 7.450 ( -0.000 13.809 0.000) 13.809 7.478 ( -0.000 11.736 0.000) 11.736 7.512 ( -0.000 8.597 0.000) 8.597 7.527 ( 0.000 3.015 0.000) 3.015 7.775 ( 0.000 1.654 0.000) 1.654 7.817 ( 0.000 2.338 -0.000) 2.338 7.990 ( -0.000 2.157 0.000) 2.157 8.041 ( -0.000 1.687 0.000) 1.687 8.091 ( 0.000 2.654 0.000) 2.654 8.200 ( -0.000 -1.533 0.000) 1.533 8.284 ( -0.000 2.031 0.000) 2.031 8.325 ( 0.000 0.428 0.000) 0.428 8.412 ( -0.000 1.053 0.000) 1.053 8.458 ( 0.000 1.258 0.000) 1.258 8.487 ( 0.000 -1.013 0.000) 1.013 8.754 ( 0.000 -4.228 0.000) 4.228 9.002 ( 0.000 -3.585 0.000) 3.585 9.168 ( 0.000 -5.099 0.000) 5.099 ======================= Grid point 156 (70/77) ======================= q-point: ( 0.20 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 1.447 1.156 -3.950) 4.363 1.038 ( -1.903 2.338 2.459) 3.891 1.123 ( 1.009 0.869 2.287) 2.647 1.354 ( -3.559 0.771 -1.626) 3.988 1.451 ( 1.692 6.935 -0.500) 7.156 1.512 ( 2.334 6.994 0.313) 7.379 1.675 ( 0.660 1.563 -0.732) 1.848 1.741 ( 2.367 11.944 1.469) 12.265 1.936 ( 0.332 6.782 -0.771) 6.834 1.959 ( 0.189 5.372 0.146) 5.377 1.973 ( -0.884 7.888 1.158) 8.021 2.165 ( -2.469 9.558 1.023) 9.925 2.242 ( -0.782 0.783 -2.696) 2.914 2.310 ( -0.468 0.471 0.283) 0.722 2.335 ( 0.010 -1.986 -0.416) 2.029 2.360 ( 3.525 4.546 2.987) 6.482 2.391 ( 1.031 1.371 0.277) 1.738 2.494 ( 0.659 -1.491 -0.576) 1.729 2.698 ( -6.005 -2.206 -3.862) 7.473 2.912 ( 2.288 -2.448 -2.025) 3.915 2.993 ( -0.075 -3.092 7.431) 8.049 3.122 ( 0.681 5.328 -2.378) 5.875 3.166 ( 0.631 5.544 2.126) 5.972 3.414 ( 0.205 13.170 -0.711) 13.191 3.481 ( -2.103 6.516 1.784) 7.076 3.575 ( 0.420 11.158 -2.559) 11.456 3.729 ( -2.664 12.884 -2.812) 13.454 3.965 ( 2.135 12.825 0.158) 13.003 4.112 ( -3.157 4.892 0.675) 5.862 4.277 ( 1.717 5.757 -1.168) 6.120 4.398 ( 2.561 3.904 0.255) 4.676 4.536 ( -2.351 -8.560 0.657) 8.902 4.695 ( 5.174 -13.937 -1.505) 14.943 4.875 ( 0.922 -2.415 2.143) 3.358 5.027 ( 2.430 -2.974 0.028) 3.841 5.067 ( -2.455 -2.244 -3.349) 4.720 5.430 ( 0.062 1.031 2.611) 2.807 5.556 ( -1.469 2.331 0.034) 2.756 5.631 ( 1.520 3.047 -4.210) 5.414 5.738 ( 1.975 4.439 2.990) 5.705 5.832 ( 1.014 0.874 0.145) 1.347 6.056 ( -1.436 5.527 0.368) 5.723 6.174 ( 3.624 -1.802 -1.202) 4.222 6.217 ( -4.002 -6.051 2.266) 7.601 6.417 ( -5.138 1.509 1.795) 5.648 6.528 ( -3.307 0.762 0.252) 3.403 6.658 ( 0.897 4.161 -0.168) 4.260 6.700 ( -1.248 2.907 0.894) 3.287 6.822 ( 1.590 0.789 1.145) 2.112 6.971 ( 0.792 -0.165 -2.356) 2.491 7.014 ( -0.958 -1.629 -0.248) 1.906 7.086 ( -1.322 4.181 -0.980) 4.493 7.183 ( 2.741 6.443 1.847) 7.241 7.185 ( 1.673 5.504 -1.420) 5.925 7.413 ( -1.642 11.783 -1.985) 12.061 7.495 ( 0.158 13.212 1.011) 13.252 7.523 ( 1.612 7.193 1.138) 7.459 7.553 ( 1.658 4.642 1.397) 5.124 7.733 ( -3.247 4.146 -2.409) 5.791 7.787 ( -4.409 2.637 2.301) 5.629 7.989 ( -0.480 -0.104 -1.857) 1.920 8.012 ( -0.739 1.867 -1.881) 2.751 8.093 ( -0.199 3.547 3.204) 4.784 8.233 ( 2.231 -1.834 0.334) 2.908 8.281 ( -0.095 1.789 -0.720) 1.931 8.342 ( 0.701 1.591 0.085) 1.741 8.397 ( 0.610 1.039 -2.083) 2.406 8.490 ( 2.754 1.038 0.354) 2.964 8.494 ( 0.024 -0.647 1.193) 1.358 8.746 ( -0.714 -4.305 -0.341) 4.377 9.005 ( 0.294 -3.563 -0.073) 3.576 9.152 ( -1.624 -5.383 0.086) 5.623 ======================= Grid point 157 (71/77) ======================= q-point: ( 0.40 0.31 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 0.197 2.503 -0.382) 2.540 1.027 ( -0.148 2.458 -0.351) 2.487 1.170 ( 2.565 -1.726 3.095) 4.374 1.276 ( -3.663 -2.053 -2.749) 5.019 1.474 ( 0.890 5.664 -0.538) 5.759 1.532 ( 0.155 9.805 0.384) 9.814 1.694 ( 1.250 0.207 -0.234) 1.288 1.794 ( 2.111 13.303 0.844) 13.495 1.924 ( -0.825 9.399 -0.788) 9.468 1.944 ( -0.321 8.448 0.886) 8.500 2.006 ( 1.768 2.596 0.202) 3.147 2.134 ( -0.844 9.043 1.827) 9.264 2.181 ( -3.503 5.834 -3.003) 7.438 2.310 ( 0.494 -0.905 0.871) 1.350 2.326 ( -0.573 -0.487 -1.010) 1.259 2.411 ( 0.873 -1.092 -0.020) 1.398 2.456 ( 2.837 2.752 1.507) 4.230 2.518 ( 2.832 -2.987 1.719) 4.460 2.593 ( -3.807 -2.318 -2.774) 5.249 2.917 ( -0.146 -2.316 -0.384) 2.352 2.991 ( -2.248 -0.430 1.202) 2.585 3.128 ( 0.663 6.280 -1.276) 6.443 3.191 ( 0.684 -1.569 2.817) 3.296 3.428 ( 1.193 14.437 0.923) 14.516 3.468 ( -0.289 2.562 -0.034) 2.579 3.532 ( -2.548 9.291 -2.253) 9.894 3.698 ( 0.156 13.498 -1.235) 13.556 3.991 ( 0.612 13.565 -0.058) 13.579 4.084 ( -0.667 9.878 0.547) 9.916 4.297 ( 0.981 4.179 -0.464) 4.317 4.428 ( 0.786 3.735 -0.210) 3.823 4.503 ( -1.254 -8.936 0.289) 9.028 4.760 ( 2.291 -10.565 -0.964) 10.853 4.890 ( -0.872 -7.153 1.755) 7.417 5.045 ( 2.220 -3.100 -3.678) 5.298 5.060 ( 0.342 0.568 1.419) 1.566 5.464 ( 1.790 3.156 0.847) 3.726 5.525 ( -1.770 -0.281 0.549) 1.874 5.630 ( -0.085 3.632 -0.746) 3.709 5.732 ( -1.303 4.634 -0.422) 4.832 5.893 ( 2.854 4.503 1.018) 5.427 6.044 ( 0.693 2.154 -0.373) 2.293 6.123 ( -4.643 -1.956 0.332) 5.049 6.267 ( 4.189 -3.463 -0.763) 5.489 6.347 ( -0.432 -0.503 1.815) 1.933 6.449 ( -6.431 -3.587 0.047) 7.364 6.656 ( -0.946 0.834 1.390) 1.877 6.710 ( 1.236 11.758 -0.518) 11.835 6.867 ( 1.930 2.196 0.592) 2.983 6.955 ( 0.259 1.633 -0.790) 1.832 6.990 ( -1.995 1.400 -0.133) 2.441 7.068 ( -0.206 3.775 -0.708) 3.847 7.201 ( 0.094 4.081 2.764) 4.930 7.232 ( 1.907 1.345 -3.009) 3.807 7.388 ( -0.194 10.800 -1.423) 10.895 7.506 ( 0.484 13.610 0.750) 13.640 7.571 ( 3.323 7.461 -0.634) 8.192 7.592 ( 1.484 4.789 3.828) 6.308 7.665 ( -2.811 5.095 -2.530) 6.345 7.695 ( -5.554 4.463 1.100) 7.210 7.978 ( 0.269 1.146 0.365) 1.233 7.997 ( -0.333 2.045 -2.779) 3.466 8.107 ( -0.167 1.900 2.585) 3.212 8.259 ( 0.593 -1.732 -0.123) 1.835 8.274 ( -0.136 1.227 -0.675) 1.407 8.334 ( -0.386 3.476 -0.542) 3.540 8.436 ( 2.912 0.572 -0.386) 2.993 8.490 ( -1.012 -1.253 0.666) 1.743 8.531 ( 1.296 2.040 0.112) 2.419 8.733 ( -0.449 -4.451 -0.222) 4.479 9.010 ( 0.321 -3.475 -0.212) 3.496 9.124 ( -1.209 -5.928 0.195) 6.053 ======================= Grid point 160 (72/77) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 0.000 -1.622 0.000) 1.622 1.080 ( 0.000 0.888 0.000) 0.888 1.198 ( -0.000 3.412 0.000) 3.412 1.307 ( 0.000 -6.531 0.000) 6.531 1.624 ( -0.000 9.988 -0.000) 9.988 1.625 ( 0.000 6.902 0.000) 6.902 1.733 ( -0.000 2.880 0.000) 2.880 1.868 ( -0.000 2.313 0.000) 2.313 2.004 ( 0.000 7.941 0.000) 7.941 2.116 ( 0.000 6.040 0.000) 6.040 2.123 ( 0.000 2.242 0.000) 2.242 2.152 ( -0.000 -5.310 0.000) 5.310 2.221 ( -0.000 -3.796 0.000) 3.796 2.335 ( 0.000 2.013 0.000) 2.013 2.371 ( -0.000 -2.560 0.000) 2.560 2.405 ( -0.000 3.014 0.000) 3.014 2.413 ( -0.000 7.148 0.000) 7.148 2.503 ( 0.000 0.861 0.000) 0.861 2.729 ( 0.000 -4.818 0.000) 4.818 2.801 ( 0.000 -9.856 -0.000) 9.856 2.870 ( 0.000 3.752 0.000) 3.752 3.251 ( 0.000 6.101 0.000) 6.101 3.314 ( -0.000 5.626 0.000) 5.626 3.371 ( -0.000 -8.135 0.000) 8.135 3.755 ( 0.000 9.361 0.000) 9.361 3.796 ( -0.000 8.481 0.000) 8.481 3.968 ( -0.000 5.353 0.000) 5.353 4.146 ( 0.000 6.990 0.000) 6.990 4.180 ( 0.000 -3.292 0.000) 3.292 4.342 ( -0.000 -5.599 0.000) 5.599 4.351 ( 0.000 -2.070 -0.000) 2.070 4.437 ( -0.000 -0.341 0.000) 0.341 4.485 ( 0.000 6.106 0.000) 6.106 4.811 ( 0.000 -8.780 0.000) 8.780 4.902 ( -0.000 3.927 0.000) 3.927 5.133 ( 0.000 0.498 0.000) 0.498 5.495 ( -0.000 5.290 0.000) 5.290 5.593 ( 0.000 2.764 0.000) 2.764 5.764 ( 0.000 4.777 0.000) 4.777 5.795 ( 0.000 6.029 -0.000) 6.029 5.815 ( -0.000 0.902 -0.000) 0.902 6.047 ( -0.000 -7.060 0.000) 7.060 6.132 ( 0.000 -2.143 0.000) 2.143 6.177 ( -0.000 2.265 0.000) 2.265 6.506 ( -0.000 -2.213 0.000) 2.213 6.541 ( 0.000 -1.735 0.000) 1.735 6.691 ( 0.000 1.648 0.000) 1.648 6.758 ( -0.000 4.311 0.000) 4.311 6.848 ( -0.000 -0.620 0.000) 0.620 6.891 ( 0.000 0.668 0.000) 0.668 7.044 ( -0.000 1.484 0.000) 1.484 7.191 ( 0.000 0.300 0.000) 0.300 7.258 ( 0.000 7.676 0.000) 7.676 7.294 ( 0.000 5.443 0.000) 5.443 7.552 ( -0.000 3.297 0.000) 3.297 7.606 ( -0.000 2.486 0.000) 2.486 7.700 ( 0.000 6.701 0.000) 6.701 7.721 ( -0.000 6.216 -0.000) 6.216 7.811 ( -0.000 0.876 0.000) 0.876 7.813 ( 0.000 -0.886 -0.000) 0.886 8.017 ( 0.000 0.825 0.000) 0.825 8.037 ( -0.000 -1.189 0.000) 1.189 8.175 ( 0.000 4.520 0.000) 4.520 8.199 ( -0.000 1.730 0.000) 1.730 8.342 ( -0.000 3.244 0.000) 3.244 8.347 ( 0.000 1.460 0.000) 1.460 8.431 ( -0.000 0.744 -0.000) 0.744 8.443 ( -0.000 -1.368 0.000) 1.368 8.536 ( 0.000 3.766 0.000) 3.766 8.688 ( 0.000 -2.283 0.000) 2.283 8.957 ( 0.000 -0.803 0.000) 0.803 9.074 ( 0.000 -3.986 0.000) 3.986 ======================= Grid point 162 (73/77) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.465 -2.191 -1.268) 2.925 1.066 ( -1.606 1.476 1.887) 2.885 1.198 ( -0.294 2.965 0.824) 3.091 1.293 ( -0.972 -3.927 -2.339) 4.673 1.599 ( -0.588 7.285 -0.286) 7.315 1.667 ( 1.885 6.913 0.632) 7.194 1.729 ( -0.189 3.936 0.517) 3.974 1.910 ( 3.793 2.912 1.513) 5.016 2.019 ( 1.445 6.540 -0.069) 6.698 2.097 ( -1.450 4.594 -0.429) 4.836 2.121 ( -0.132 4.332 -1.018) 4.452 2.164 ( 0.932 -5.649 0.586) 5.755 2.211 ( -1.143 -4.397 0.843) 4.621 2.332 ( -0.443 3.171 0.174) 3.207 2.370 ( -1.697 3.144 1.198) 3.768 2.401 ( 0.679 -0.173 -0.780) 1.048 2.426 ( 1.868 3.380 -0.111) 3.864 2.491 ( -0.957 0.776 -0.277) 1.263 2.661 ( -3.989 -2.431 -5.351) 7.103 2.800 ( -1.260 -8.407 3.004) 9.016 2.909 ( 1.721 -0.558 3.042) 3.539 3.224 ( -1.192 3.813 -4.286) 5.859 3.300 ( -2.003 4.801 1.008) 5.299 3.363 ( -1.545 -6.802 2.680) 7.472 3.714 ( -1.294 8.794 -2.975) 9.374 3.781 ( -3.045 7.728 1.106) 8.380 3.925 ( -2.446 5.073 -2.820) 6.298 4.159 ( 0.373 0.404 -0.366) 0.660 4.211 ( 1.978 -0.620 1.366) 2.483 4.312 ( 0.292 2.270 2.630) 3.487 4.419 ( -0.981 -6.694 1.899) 7.027 4.461 ( 4.138 3.317 -4.174) 6.749 4.489 ( 3.279 3.803 0.138) 5.023 4.785 ( -1.327 -5.335 0.833) 5.560 4.995 ( 7.509 1.087 -2.318) 7.933 5.072 ( -3.738 0.739 -2.592) 4.608 5.499 ( 0.518 5.151 3.873) 6.465 5.648 ( 1.091 5.795 2.561) 6.429 5.736 ( 1.009 6.452 -6.978) 9.557 5.793 ( 0.823 1.254 1.563) 2.167 5.868 ( 2.797 2.564 2.123) 4.348 6.080 ( 2.671 -5.271 2.588) 6.451 6.104 ( -2.459 -1.646 1.149) 3.174 6.159 ( -1.234 0.707 -2.285) 2.691 6.419 ( -6.683 -0.786 1.576) 6.911 6.544 ( -4.823 -3.333 3.572) 6.865 6.667 ( -3.713 0.393 -2.408) 4.442 6.753 ( 2.217 -1.142 -4.478) 5.125 6.842 ( 4.923 5.053 3.391) 7.827 6.964 ( 1.721 -0.013 1.147) 2.068 7.041 ( 1.472 3.663 -1.082) 4.093 7.177 ( -2.110 2.099 -0.184) 2.982 7.261 ( -1.087 5.276 3.955) 6.683 7.307 ( 2.380 5.254 -3.690) 6.847 7.525 ( -1.051 3.358 -2.407) 4.263 7.642 ( 1.448 2.695 1.780) 3.540 7.675 ( -0.599 3.752 -0.925) 3.911 7.740 ( -0.445 6.777 2.175) 7.131 7.804 ( -0.051 3.737 -0.798) 3.821 7.814 ( -0.403 1.007 2.521) 2.744 7.993 ( -0.870 0.252 -2.377) 2.544 8.033 ( -0.031 0.161 -2.983) 2.987 8.175 ( -0.851 4.073 2.367) 4.787 8.215 ( 1.684 0.590 -0.268) 1.804 8.327 ( -0.945 2.511 -0.957) 2.848 8.374 ( 2.132 1.644 0.470) 2.733 8.422 ( -0.465 0.909 -0.680) 1.227 8.459 ( 1.062 -1.266 0.975) 1.918 8.556 ( 1.926 3.440 0.301) 3.954 8.682 ( -0.516 -1.987 -0.344) 2.081 8.956 ( -0.048 -1.148 -0.037) 1.149 9.056 ( -1.913 -3.978 0.010) 4.414 ======================= Grid point 163 (74/77) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 1.463 -2.947 -0.847) 3.397 1.055 ( -0.678 1.844 1.748) 2.630 1.197 ( -0.207 0.335 1.247) 1.308 1.256 ( -1.200 1.968 -2.546) 3.435 1.594 ( -0.051 6.040 -0.117) 6.041 1.683 ( -0.062 4.537 0.371) 4.553 1.741 ( 0.798 5.190 0.298) 5.259 1.989 ( 3.557 2.728 1.392) 4.694 2.035 ( -0.198 5.258 -0.317) 5.271 2.072 ( -0.646 3.649 -1.315) 3.932 2.111 ( -0.427 6.798 -0.100) 6.812 2.181 ( 0.396 -7.786 -0.009) 7.796 2.200 ( -0.344 -4.950 1.170) 5.098 2.321 ( -0.505 6.410 -0.464) 6.447 2.339 ( -1.399 6.227 0.519) 6.404 2.411 ( 0.523 -0.597 -0.451) 0.913 2.450 ( -0.249 -2.950 -0.045) 2.961 2.494 ( 1.324 0.353 0.770) 1.572 2.582 ( -1.853 0.182 -2.518) 3.132 2.793 ( -0.677 -8.411 1.442) 8.561 2.926 ( -0.656 -2.532 1.114) 2.843 3.205 ( 2.176 1.070 -4.586) 5.187 3.252 ( -4.143 2.859 3.336) 6.039 3.352 ( -0.614 -4.323 1.066) 4.495 3.703 ( 1.034 8.127 -2.050) 8.446 3.726 ( -2.586 7.768 0.570) 8.207 3.884 ( -1.012 3.585 -0.884) 3.828 4.151 ( -0.494 -5.546 -0.292) 5.576 4.242 ( 0.801 -0.695 1.220) 1.616 4.350 ( 1.329 9.309 1.799) 9.574 4.388 ( -1.697 -0.047 -0.064) 1.699 4.475 ( 1.001 1.156 -2.246) 2.717 4.587 ( 3.909 -1.017 0.108) 4.041 4.763 ( -1.274 -4.915 -0.476) 5.100 5.030 ( 0.362 1.334 -1.248) 1.862 5.087 ( 2.653 0.962 -0.629) 2.892 5.547 ( 1.828 5.182 3.820) 6.693 5.612 ( -2.579 7.327 -2.150) 8.060 5.752 ( 0.996 7.961 0.079) 8.024 5.816 ( 0.852 4.020 -0.656) 4.161 5.919 ( 1.643 -1.833 1.425) 2.844 6.065 ( -2.132 -2.188 0.655) 3.125 6.119 ( 1.388 3.741 -1.627) 4.309 6.179 ( 2.998 -5.722 0.338) 6.468 6.322 ( -3.270 -0.459 0.707) 3.377 6.419 ( -7.553 -1.534 1.988) 7.959 6.636 ( -0.045 -3.067 0.050) 3.067 6.773 ( 1.283 -4.344 -3.062) 5.467 6.939 ( 3.229 5.701 2.063) 6.869 7.005 ( 2.024 3.162 2.613) 4.574 7.058 ( 0.393 5.406 -2.268) 5.876 7.131 ( -2.023 2.434 -0.760) 3.255 7.268 ( -0.135 4.242 4.313) 6.051 7.309 ( -0.047 4.861 -4.178) 6.410 7.504 ( -0.369 3.314 -1.162) 3.531 7.644 ( -0.293 -0.542 0.418) 0.745 7.693 ( 1.415 3.258 -0.115) 3.554 7.720 ( -1.978 3.858 1.158) 4.488 7.807 ( -0.015 8.236 1.862) 8.444 7.826 ( 0.670 8.496 -0.439) 8.534 7.975 ( -0.160 -1.236 -1.420) 1.889 8.016 ( -0.201 -0.526 -1.614) 1.710 8.170 ( -0.507 3.689 1.117) 3.887 8.239 ( 0.780 -0.120 0.061) 0.792 8.306 ( -0.599 2.046 -0.739) 2.256 8.390 ( -0.449 1.726 0.236) 1.799 8.440 ( 2.467 -0.107 -0.355) 2.494 8.472 ( -0.340 -0.229 0.665) 0.781 8.590 ( 1.264 3.022 0.139) 3.279 8.671 ( -0.328 -1.462 -0.234) 1.517 8.957 ( 0.218 -1.726 -0.273) 1.760 9.021 ( -1.574 -4.053 0.232) 4.355 ======================= Grid point 166 (75/77) ======================= q-point: ( 0.00 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.000 2.973 0.000) 2.973 1.050 ( 0.000 -4.346 0.000) 4.346 1.227 ( -0.000 -0.561 0.000) 0.561 1.231 ( 0.000 0.174 0.000) 0.174 1.718 ( 0.000 2.205 0.000) 2.205 1.734 ( 0.000 0.628 0.000) 0.628 1.853 ( -0.000 7.477 0.000) 7.477 1.910 ( 0.000 1.567 0.000) 1.567 2.060 ( 0.000 -1.781 0.000) 1.781 2.075 ( -0.000 -2.435 0.000) 2.435 2.157 ( 0.000 3.734 0.000) 3.734 2.188 ( -0.000 -0.138 0.000) 0.138 2.206 ( -0.000 2.340 0.000) 2.340 2.295 ( -0.000 -4.528 0.000) 4.528 2.406 ( -0.000 4.889 0.000) 4.889 2.446 ( -0.000 0.966 0.000) 0.966 2.499 ( 0.000 -0.297 0.000) 0.297 2.526 ( -0.000 2.796 -0.000) 2.796 2.610 ( 0.000 -6.947 0.000) 6.947 2.635 ( -0.000 -4.411 -0.000) 4.411 2.996 ( 0.000 8.120 0.000) 8.120 3.180 ( -0.000 -9.632 0.000) 9.632 3.349 ( -0.000 3.243 0.000) 3.243 3.377 ( -0.000 0.654 0.000) 0.654 3.855 ( 0.000 1.391 0.000) 1.391 3.881 ( -0.000 -0.423 0.000) 0.423 4.004 ( -0.000 0.689 -0.000) 0.689 4.038 ( 0.000 -3.414 0.000) 3.414 4.270 ( -0.000 2.768 0.000) 2.768 4.295 ( 0.000 -0.862 -0.000) 0.862 4.379 ( -0.000 4.452 0.000) 4.452 4.449 ( -0.000 -1.521 0.000) 1.521 4.596 ( 0.000 4.493 0.000) 4.493 4.681 ( -0.000 -4.495 0.000) 4.495 5.009 ( 0.000 5.743 0.000) 5.743 5.105 ( 0.000 -3.226 0.000) 3.226 5.601 ( 0.000 4.373 0.000) 4.373 5.643 ( 0.000 0.941 0.000) 0.941 5.778 ( -0.000 1.053 0.000) 1.053 5.852 ( 0.000 -3.996 0.000) 3.996 5.925 ( -0.000 5.367 0.000) 5.367 5.957 ( 0.000 1.220 0.000) 1.220 6.150 ( -0.000 2.658 0.000) 2.658 6.180 ( -0.000 -0.794 -0.000) 0.794 6.422 ( -0.000 -5.294 -0.000) 5.294 6.429 ( 0.000 -4.549 0.000) 4.549 6.788 ( 0.000 4.792 0.000) 4.792 6.841 ( -0.000 2.838 0.000) 2.838 6.859 ( -0.000 0.717 0.000) 0.717 6.861 ( 0.000 -2.583 0.000) 2.583 7.102 ( -0.000 3.328 0.000) 3.328 7.161 ( 0.000 -2.408 0.000) 2.408 7.402 ( -0.000 4.963 0.000) 4.963 7.413 ( 0.000 5.879 0.000) 5.879 7.594 ( -0.000 -1.825 0.000) 1.825 7.636 ( 0.000 3.849 0.000) 3.849 7.661 ( 0.000 -5.661 0.000) 5.661 7.731 ( -0.000 -3.454 0.000) 3.454 7.839 ( 0.000 2.453 0.000) 2.453 7.859 ( -0.000 1.206 0.000) 1.206 8.032 ( 0.000 0.490 0.000) 0.490 8.032 ( -0.000 0.399 -0.000) 0.399 8.239 ( 0.000 1.538 -0.000) 1.538 8.242 ( -0.000 1.602 0.000) 1.602 8.377 ( -0.000 1.451 0.000) 1.451 8.396 ( -0.000 1.016 0.000) 1.016 8.420 ( 0.000 -0.186 0.000) 0.186 8.437 ( -0.000 -0.399 0.000) 0.399 8.607 ( 0.000 2.944 0.000) 2.944 8.652 ( 0.000 -1.616 0.000) 1.616 8.965 ( 0.000 1.380 0.000) 1.380 9.007 ( 0.000 -2.668 0.000) 2.668 ======================= Grid point 168 (76/77) ======================= q-point: ( 0.20 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 0.171 2.659 -0.312) 2.683 1.043 ( -0.714 -4.035 -0.082) 4.099 1.226 ( 0.251 1.375 0.243) 1.419 1.254 ( 1.714 -0.928 -0.104) 1.952 1.710 ( -0.703 3.021 0.076) 3.103 1.732 ( -0.302 0.561 0.482) 0.799 1.874 ( 1.340 7.680 0.987) 7.859 1.947 ( 3.292 0.558 1.309) 3.586 2.049 ( -0.773 -1.882 -1.186) 2.355 2.064 ( -0.973 -2.579 -0.869) 2.890 2.158 ( -0.244 2.442 0.716) 2.556 2.186 ( -0.168 -0.226 0.140) 0.315 2.201 ( -0.177 3.397 -0.751) 3.484 2.303 ( 0.757 -5.143 -0.132) 5.200 2.416 ( 0.280 4.224 2.435) 4.884 2.430 ( -1.402 1.130 0.027) 1.801 2.471 ( -1.393 0.415 -2.784) 3.141 2.542 ( 0.630 3.588 1.205) 3.837 2.568 ( -1.326 -5.612 -5.276) 7.816 2.646 ( -1.728 -5.764 5.682) 8.276 2.981 ( -1.294 6.666 -0.753) 6.832 3.143 ( -2.532 -8.543 -3.486) 9.568 3.339 ( -1.820 2.451 2.676) 4.060 3.361 ( -1.588 0.670 0.879) 1.934 3.827 ( -1.547 2.973 -3.077) 4.549 3.866 ( -2.295 0.159 2.141) 3.143 3.935 ( -4.279 -0.754 -3.060) 5.314 3.987 ( -4.970 -6.017 1.959) 8.046 4.284 ( 1.306 2.539 0.997) 3.024 4.316 ( 1.112 -1.701 0.519) 2.097 4.440 ( 5.231 5.662 0.872) 7.758 4.509 ( 5.327 -0.889 0.240) 5.406 4.601 ( 0.533 5.575 -2.972) 6.340 4.693 ( 0.952 -3.934 -1.612) 4.357 5.036 ( 3.496 2.227 -1.951) 4.581 5.071 ( -1.429 -0.966 -2.004) 2.644 5.619 ( 1.211 6.183 4.153) 7.546 5.714 ( 4.597 -1.330 3.303) 5.814 5.797 ( 0.342 1.879 2.440) 3.099 5.867 ( 1.058 -3.270 1.527) 3.761 5.914 ( 2.286 8.601 -5.760) 10.601 6.031 ( 6.328 0.173 0.079) 6.331 6.104 ( -4.351 0.986 1.984) 4.882 6.138 ( -3.082 -2.291 -2.960) 4.849 6.377 ( -4.472 -2.201 1.641) 5.247 6.419 ( -3.520 -5.844 3.695) 7.758 6.699 ( -6.993 1.749 -2.350) 7.582 6.729 ( -3.810 -1.216 -3.287) 5.176 6.938 ( 5.862 3.461 1.732) 7.024 6.971 ( 5.114 0.042 1.292) 5.275 7.122 ( 1.821 3.614 1.233) 4.231 7.174 ( -0.085 -1.482 2.791) 3.162 7.390 ( -1.744 5.330 -1.100) 5.715 7.404 ( 0.282 3.865 -1.288) 4.084 7.573 ( -0.320 0.631 -2.005) 2.126 7.623 ( -0.817 -4.096 -5.034) 6.541 7.690 ( 2.577 2.420 1.500) 3.840 7.776 ( 1.285 -4.240 1.449) 4.661 7.831 ( -0.090 3.233 4.094) 5.217 7.868 ( 0.917 0.356 2.577) 2.758 8.013 ( -0.570 1.571 -3.130) 3.549 8.034 ( 0.012 -0.257 -3.288) 3.298 8.236 ( -0.477 1.616 0.624) 1.797 8.242 ( -0.047 1.124 0.491) 1.227 8.376 ( -0.491 2.191 -1.186) 2.539 8.401 ( 0.871 0.496 -0.023) 1.002 8.429 ( -0.404 -0.117 0.273) 0.502 8.436 ( 1.276 -0.823 1.132) 1.893 8.619 ( 1.187 2.496 0.081) 2.765 8.655 ( 0.319 -1.142 -0.150) 1.195 8.956 ( -0.904 0.979 -0.025) 1.333 8.991 ( -1.629 -2.411 0.008) 2.910 ======================= Grid point 169 (77/77) ======================= q-point: ( 0.40 0.46 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 131 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.418 1.560 -0.024) 1.615 1.029 ( -0.631 -3.507 -0.028) 3.564 1.232 ( 0.221 3.036 0.099) 3.046 1.279 ( 0.881 -0.802 -0.047) 1.192 1.700 ( -0.339 3.617 -0.046) 3.633 1.730 ( -0.099 0.483 0.257) 0.556 1.896 ( 0.524 8.645 0.624) 8.683 2.008 ( 1.968 -2.014 1.054) 3.006 2.028 ( -0.779 -2.840 -0.598) 3.005 2.040 ( -0.630 -1.730 -1.323) 2.267 2.154 ( -0.421 -0.093 0.399) 0.587 2.185 ( -0.224 0.384 0.402) 0.600 2.200 ( 0.434 4.732 -0.708) 4.804 2.314 ( 0.431 -5.602 -0.132) 5.620 2.408 ( -0.791 0.870 0.487) 1.273 2.425 ( -1.469 -0.014 2.690) 3.065 2.449 ( 1.126 4.807 -3.012) 5.783 2.518 ( -1.337 0.575 -0.701) 1.615 2.569 ( 1.739 -0.659 -2.350) 2.997 2.631 ( -2.307 -6.142 4.197) 7.789 2.952 ( -1.090 4.818 -0.742) 4.995 3.091 ( -1.109 -7.994 -2.164) 8.356 3.317 ( -1.412 2.817 1.498) 3.490 3.345 ( -0.645 0.117 0.762) 1.006 3.796 ( -0.456 2.504 -1.671) 3.045 3.835 ( -1.459 1.928 1.062) 2.641 3.861 ( -2.085 -2.269 -1.716) 3.527 3.932 ( -1.977 -7.601 1.710) 8.038 4.312 ( 0.935 2.281 0.452) 2.507 4.336 ( 0.653 -1.199 0.447) 1.437 4.521 ( 2.763 6.045 0.727) 6.686 4.581 ( -0.440 5.649 -2.983) 6.403 4.593 ( 2.822 -0.882 0.700) 3.039 4.677 ( -1.018 -3.955 -2.069) 4.578 5.067 ( 1.137 1.762 -0.559) 2.170 5.092 ( 2.203 -0.536 -0.519) 2.327 5.668 ( 1.569 6.432 2.888) 7.224 5.776 ( -0.620 6.675 -0.136) 6.705 5.796 ( 0.831 -3.760 1.645) 4.187 5.892 ( 0.632 -0.791 1.286) 1.636 5.944 ( 1.823 6.024 -1.246) 6.416 6.039 ( -2.150 -1.080 0.088) 2.407 6.091 ( -0.543 0.196 -0.871) 1.045 6.152 ( 4.986 -0.997 -1.064) 5.195 6.306 ( -2.734 -0.928 0.687) 2.968 6.349 ( -4.672 -4.859 2.290) 7.120 6.604 ( -2.215 1.349 -1.080) 2.809 6.673 ( -1.315 -4.711 -1.404) 5.088 7.020 ( 2.172 2.591 1.404) 3.661 7.046 ( 2.038 0.248 1.020) 2.292 7.161 ( 1.548 3.610 0.147) 3.930 7.180 ( -0.015 1.665 0.731) 1.819 7.360 ( -0.746 4.245 -0.392) 4.328 7.396 ( -0.354 2.281 -0.914) 2.483 7.566 ( -0.106 1.852 -0.406) 1.899 7.592 ( -0.258 -2.507 -2.704) 3.696 7.718 ( 0.374 1.168 0.105) 1.231 7.761 ( -1.177 -0.755 0.064) 1.400 7.896 ( 2.919 1.097 5.534) 6.352 7.924 ( 2.545 -0.050 4.124) 4.846 7.974 ( -1.593 2.110 -4.516) 5.233 7.997 ( -1.708 -0.412 -4.415) 4.752 8.231 ( -0.293 1.856 0.359) 1.913 8.245 ( 0.128 0.227 0.244) 0.357 8.356 ( -0.749 2.626 -0.490) 2.775 8.398 ( -0.667 -1.049 -0.079) 1.246 8.445 ( 1.185 0.810 0.244) 1.456 8.465 ( 0.980 -0.776 0.491) 1.343 8.642 ( 0.949 1.798 0.045) 2.034 8.660 ( 0.294 -0.230 -0.074) 0.381 8.941 ( -0.507 0.106 -0.151) 0.539 8.960 ( -1.376 -1.887 0.130) 2.339 =================== 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 3/18720 10.0 18.771 11.215 7.976 0.000 -0.447 0.000 3/18720 20.0 4.979 6.134 2.460 0.000 -0.139 0.000 3/18720 30.0 2.663 4.773 1.457 0.000 -0.098 0.000 3/18720 40.0 1.821 3.909 1.063 0.000 -0.077 0.000 3/18720 50.0 1.389 3.267 0.844 0.000 -0.062 0.000 3/18720 60.0 1.126 2.783 0.701 0.000 -0.052 0.000 3/18720 70.0 0.948 2.415 0.601 0.000 -0.045 0.000 3/18720 80.0 0.820 2.130 0.526 0.000 -0.040 0.000 3/18720 90.0 0.723 1.904 0.469 0.000 -0.035 0.000 3/18720 100.0 0.648 1.722 0.423 0.000 -0.032 0.000 3/18720 110.0 0.587 1.572 0.386 0.000 -0.029 0.000 3/18720 120.0 0.537 1.446 0.354 0.000 -0.026 0.000 3/18720 130.0 0.495 1.340 0.328 0.000 -0.024 0.000 3/18720 140.0 0.459 1.248 0.306 0.000 -0.023 0.000 3/18720 150.0 0.428 1.168 0.286 0.000 -0.021 0.000 3/18720 160.0 0.401 1.097 0.269 0.000 -0.020 0.000 3/18720 170.0 0.378 1.035 0.253 0.000 -0.019 0.000 3/18720 180.0 0.357 0.979 0.240 0.000 -0.018 0.000 3/18720 190.0 0.338 0.929 0.227 0.000 -0.017 0.000 3/18720 200.0 0.321 0.884 0.216 0.000 -0.016 0.000 3/18720 210.0 0.306 0.843 0.206 0.000 -0.015 0.000 3/18720 220.0 0.292 0.806 0.197 0.000 -0.014 0.000 3/18720 230.0 0.279 0.772 0.189 0.000 -0.014 0.000 3/18720 240.0 0.268 0.741 0.181 0.000 -0.013 0.000 3/18720 250.0 0.257 0.712 0.174 0.000 -0.013 0.000 3/18720 260.0 0.247 0.685 0.168 0.000 -0.012 0.000 3/18720 270.0 0.238 0.660 0.162 0.000 -0.012 0.000 3/18720 280.0 0.230 0.637 0.156 0.000 -0.011 0.000 3/18720 290.0 0.222 0.615 0.151 0.000 -0.011 0.000 3/18720 300.0 0.215 0.595 0.146 0.000 -0.011 0.000 3/18720 310.0 0.208 0.576 0.141 0.000 -0.010 0.000 3/18720 320.0 0.201 0.559 0.137 0.000 -0.010 0.000 3/18720 330.0 0.195 0.542 0.133 0.000 -0.010 0.000 3/18720 340.0 0.189 0.526 0.129 0.000 -0.009 0.000 3/18720 350.0 0.184 0.511 0.125 0.000 -0.009 0.000 3/18720 360.0 0.179 0.497 0.122 0.000 -0.009 0.000 3/18720 370.0 0.174 0.484 0.118 0.000 -0.009 0.000 3/18720 380.0 0.170 0.472 0.115 0.000 -0.008 0.000 3/18720 390.0 0.165 0.460 0.112 0.000 -0.008 0.000 3/18720 400.0 0.161 0.448 0.110 0.000 -0.008 0.000 3/18720 410.0 0.157 0.437 0.107 0.000 -0.008 0.000 3/18720 420.0 0.153 0.427 0.105 0.000 -0.008 0.000 3/18720 430.0 0.150 0.417 0.102 0.000 -0.007 0.000 3/18720 440.0 0.146 0.408 0.100 0.000 -0.007 0.000 3/18720 450.0 0.143 0.399 0.098 0.000 -0.007 0.000 3/18720 460.0 0.140 0.390 0.096 0.000 -0.007 0.000 3/18720 470.0 0.137 0.382 0.094 0.000 -0.007 0.000 3/18720 480.0 0.134 0.374 0.092 0.000 -0.007 0.000 3/18720 490.0 0.132 0.367 0.090 0.000 -0.006 0.000 3/18720 500.0 0.129 0.359 0.088 0.000 -0.006 0.000 3/18720 510.0 0.126 0.352 0.086 0.000 -0.006 0.000 3/18720 520.0 0.124 0.346 0.085 0.000 -0.006 0.000 3/18720 530.0 0.122 0.339 0.083 0.000 -0.006 0.000 3/18720 540.0 0.119 0.333 0.081 0.000 -0.006 0.000 3/18720 550.0 0.117 0.327 0.080 0.000 -0.006 0.000 3/18720 560.0 0.115 0.321 0.079 0.000 -0.006 0.000 3/18720 570.0 0.113 0.316 0.077 0.000 -0.006 0.000 3/18720 580.0 0.111 0.310 0.076 0.000 -0.005 0.000 3/18720 590.0 0.109 0.305 0.075 0.000 -0.005 0.000 3/18720 600.0 0.108 0.300 0.073 0.000 -0.005 0.000 3/18720 610.0 0.106 0.295 0.072 0.000 -0.005 0.000 3/18720 620.0 0.104 0.290 0.071 0.000 -0.005 0.000 3/18720 630.0 0.102 0.286 0.070 0.000 -0.005 0.000 3/18720 640.0 0.101 0.281 0.069 0.000 -0.005 0.000 3/18720 650.0 0.099 0.277 0.068 0.000 -0.005 0.000 3/18720 660.0 0.098 0.273 0.067 0.000 -0.005 0.000 3/18720 670.0 0.096 0.269 0.066 0.000 -0.005 0.000 3/18720 680.0 0.095 0.265 0.065 0.000 -0.005 0.000 3/18720 690.0 0.094 0.261 0.064 0.000 -0.005 0.000 3/18720 700.0 0.092 0.257 0.063 0.000 -0.004 0.000 3/18720 710.0 0.091 0.254 0.062 0.000 -0.004 0.000 3/18720 720.0 0.090 0.250 0.061 0.000 -0.004 0.000 3/18720 730.0 0.088 0.247 0.060 0.000 -0.004 0.000 3/18720 740.0 0.087 0.243 0.060 0.000 -0.004 0.000 3/18720 750.0 0.086 0.240 0.059 0.000 -0.004 0.000 3/18720 760.0 0.085 0.237 0.058 0.000 -0.004 0.000 3/18720 770.0 0.084 0.234 0.057 0.000 -0.004 0.000 3/18720 780.0 0.083 0.231 0.057 0.000 -0.004 0.000 3/18720 790.0 0.082 0.228 0.056 0.000 -0.004 0.000 3/18720 800.0 0.081 0.225 0.055 0.000 -0.004 0.000 3/18720 810.0 0.080 0.223 0.054 0.000 -0.004 0.000 3/18720 820.0 0.079 0.220 0.054 0.000 -0.004 0.000 3/18720 830.0 0.078 0.217 0.053 0.000 -0.004 0.000 3/18720 840.0 0.077 0.215 0.053 0.000 -0.004 0.000 3/18720 850.0 0.076 0.212 0.052 0.000 -0.004 0.000 3/18720 860.0 0.075 0.210 0.051 0.000 -0.004 0.000 3/18720 870.0 0.074 0.207 0.051 0.000 -0.004 0.000 3/18720 880.0 0.073 0.205 0.050 0.000 -0.004 0.000 3/18720 890.0 0.073 0.203 0.050 0.000 -0.004 0.000 3/18720 900.0 0.072 0.200 0.049 0.000 -0.003 0.000 3/18720 910.0 0.071 0.198 0.048 0.000 -0.003 0.000 3/18720 920.0 0.070 0.196 0.048 0.000 -0.003 0.000 3/18720 930.0 0.069 0.194 0.047 0.000 -0.003 0.000 3/18720 940.0 0.069 0.192 0.047 0.000 -0.003 0.000 3/18720 950.0 0.068 0.190 0.046 0.000 -0.003 0.000 3/18720 960.0 0.067 0.188 0.046 0.000 -0.003 0.000 3/18720 970.0 0.067 0.186 0.045 0.000 -0.003 0.000 3/18720 980.0 0.066 0.184 0.045 0.000 -0.003 0.000 3/18720 990.0 0.065 0.182 0.045 0.000 -0.003 0.000 3/18720 1000.0 0.065 0.180 0.044 0.000 -0.003 0.000 3/18720 Thermal conductivity related properties were written into "kappa-m5134.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 20:22:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|