----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:21:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.839519840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405606060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.011683030000000 Atomic positions (fractional): *1 O 0.50000000000000 0.56533574062603 0.25000000000000 15.999 2 O 0.00000000000000 0.93466425937397 0.75000000000000 15.999 3 O 0.50000000000000 0.43466425937397 0.75000000000000 15.999 4 O 0.00000000000000 0.06533574062603 0.25000000000000 15.999 *5 O 0.19509525212514 0.70886793524954 0.66481145462646 15.999 6 O 0.30490474787486 0.79113206475046 0.16481145462646 15.999 7 O 0.69509525212514 0.79113206475046 0.33518854537354 15.999 8 O 0.80490474787486 0.70886793524954 0.83518854537354 15.999 9 O 0.80490474787486 0.29113206475046 0.33518854537354 15.999 10 O 0.69509525212514 0.20886793524954 0.83518854537354 15.999 11 O 0.30490474787486 0.20886793524954 0.66481145462646 15.999 12 O 0.19509525212514 0.29113206475046 0.16481145462646 15.999 *13 O 0.34447361932957 0.06664973759908 0.04773180018298 15.999 14 O 0.15552638067043 0.43335026240092 0.54773180018298 15.999 15 O 0.84447361932957 0.43335026240092 0.95226819981702 15.999 16 O 0.65552638067043 0.06664973759908 0.45226819981702 15.999 17 O 0.65552638067043 0.93335026240092 0.95226819981702 15.999 18 O 0.84447361932957 0.56664973759908 0.45226819981702 15.999 19 O 0.15552638067043 0.56664973759908 0.04773180018298 15.999 20 O 0.34447361932957 0.93335026240092 0.54773180018298 15.999 *21 Mg 0.00000000000000 0.56071953595060 0.75000000000000 24.305 22 Mg 0.50000000000000 0.93928046404940 0.25000000000000 24.305 23 Mg 0.00000000000000 0.43928046404940 0.25000000000000 24.305 24 Mg 0.50000000000000 0.06071953595060 0.75000000000000 24.305 *25 Se 0.13435347078204 0.84553274039109 0.52966821758041 78.960 26 Se 0.36564652921796 0.65446725960891 0.02966821758041 78.960 27 Se 0.63435347078204 0.65446725960891 0.47033178241959 78.960 28 Se 0.86564652921796 0.84553274039109 0.97033178241959 78.960 29 Se 0.86564652921796 0.15446725960891 0.47033178241959 78.960 30 Se 0.63435347078204 0.34553274039109 0.97033178241959 78.960 31 Se 0.36564652921796 0.34553274039109 0.52966821758041 78.960 32 Se 0.13435347078204 0.15446725960891 0.02966821758041 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.839519840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405606060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.011683030000000 Atomic positions (fractional): *1 O 0.50000000000000 0.56533574062603 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.93466425937397 0.75000000000000 15.999 > 2 3 O 0.50000000000000 0.43466425937397 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.06533574062603 0.25000000000000 15.999 > 4 *5 O 0.19509525212514 0.70886793524954 0.66481145462646 15.999 > 5 6 O 0.30490474787486 0.79113206475046 0.16481145462646 15.999 > 6 7 O 0.69509525212514 0.79113206475046 0.33518854537354 15.999 > 7 8 O 0.80490474787486 0.70886793524954 0.83518854537354 15.999 > 8 9 O 0.80490474787486 0.29113206475046 0.33518854537354 15.999 > 9 10 O 0.69509525212514 0.20886793524954 0.83518854537354 15.999 > 10 11 O 0.30490474787486 0.20886793524954 0.66481145462646 15.999 > 11 12 O 0.19509525212514 0.29113206475046 0.16481145462646 15.999 > 12 *13 O 0.34447361932957 0.06664973759908 0.04773180018298 15.999 > 13 14 O 0.15552638067043 0.43335026240092 0.54773180018298 15.999 > 14 15 O 0.84447361932957 0.43335026240092 0.95226819981702 15.999 > 15 16 O 0.65552638067043 0.06664973759908 0.45226819981702 15.999 > 16 17 O 0.65552638067043 0.93335026240092 0.95226819981702 15.999 > 17 18 O 0.84447361932957 0.56664973759908 0.45226819981702 15.999 > 18 19 O 0.15552638067043 0.56664973759908 0.04773180018298 15.999 > 19 20 O 0.34447361932957 0.93335026240092 0.54773180018298 15.999 > 20 *21 Mg 0.00000000000000 0.56071953595060 0.75000000000000 24.305 > 21 22 Mg 0.50000000000000 0.93928046404940 0.25000000000000 24.305 > 22 23 Mg 0.00000000000000 0.43928046404940 0.25000000000000 24.305 > 23 24 Mg 0.50000000000000 0.06071953595060 0.75000000000000 24.305 > 24 *25 Se 0.13435347078204 0.84553274039109 0.52966821758041 78.960 > 25 26 Se 0.36564652921796 0.65446725960891 0.02966821758041 78.960 > 26 27 Se 0.63435347078204 0.65446725960891 0.47033178241959 78.960 > 27 28 Se 0.86564652921796 0.84553274039109 0.97033178241959 78.960 > 28 29 Se 0.86564652921796 0.15446725960891 0.47033178241959 78.960 > 29 30 Se 0.63435347078204 0.34553274039109 0.97033178241959 78.960 > 30 31 Se 0.36564652921796 0.34553274039109 0.52966821758041 78.960 > 31 32 Se 0.13435347078204 0.15446725960891 0.02966821758041 78.960 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.679039680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405606060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.023366060000001 Atomic positions (fractional): *1 O 0.25000000000000 0.56533574062603 0.12500000000000 15.999 > 1 2 O 0.75000000000000 0.56533574062603 0.12500000000000 15.999 > 1 3 O 0.25000000000000 0.56533574062603 0.62500000000000 15.999 > 1 4 O 0.75000000000000 0.56533574062603 0.62500000000000 15.999 > 1 5 O 0.00000000000000 0.93466425937397 0.37500000000000 15.999 > 2 6 O 0.50000000000000 0.93466425937397 0.37500000000000 15.999 > 2 7 O 0.00000000000000 0.93466425937397 0.87500000000000 15.999 > 2 8 O 0.50000000000000 0.93466425937397 0.87500000000000 15.999 > 2 9 O 0.25000000000000 0.43466425937397 0.37500000000000 15.999 > 3 10 O 0.75000000000000 0.43466425937397 0.37500000000000 15.999 > 3 11 O 0.25000000000000 0.43466425937397 0.87500000000000 15.999 > 3 12 O 0.75000000000000 0.43466425937397 0.87500000000000 15.999 > 3 13 O 0.00000000000000 0.06533574062603 0.12500000000000 15.999 > 4 14 O 0.50000000000000 0.06533574062603 0.12500000000000 15.999 > 4 15 O 0.00000000000000 0.06533574062603 0.62500000000000 15.999 > 4 16 O 0.50000000000000 0.06533574062603 0.62500000000000 15.999 > 4 *17 O 0.09754762606257 0.70886793524954 0.33240572731323 15.999 > 5 18 O 0.59754762606257 0.70886793524954 0.33240572731323 15.999 > 5 19 O 0.09754762606257 0.70886793524954 0.83240572731323 15.999 > 5 20 O 0.59754762606257 0.70886793524954 0.83240572731323 15.999 > 5 21 O 0.15245237393743 0.79113206475046 0.08240572731323 15.999 > 6 22 O 0.65245237393743 0.79113206475046 0.08240572731323 15.999 > 6 23 O 0.15245237393743 0.79113206475046 0.58240572731323 15.999 > 6 24 O 0.65245237393743 0.79113206475046 0.58240572731323 15.999 > 6 25 O 0.34754762606257 0.79113206475046 0.16759427268677 15.999 > 7 26 O 0.84754762606257 0.79113206475046 0.16759427268677 15.999 > 7 27 O 0.34754762606257 0.79113206475046 0.66759427268677 15.999 > 7 28 O 0.84754762606257 0.79113206475046 0.66759427268677 15.999 > 7 29 O 0.40245237393743 0.70886793524954 0.41759427268677 15.999 > 8 30 O 0.90245237393743 0.70886793524954 0.41759427268677 15.999 > 8 31 O 0.40245237393743 0.70886793524954 0.91759427268677 15.999 > 8 32 O 0.90245237393743 0.70886793524954 0.91759427268677 15.999 > 8 33 O 0.40245237393743 0.29113206475046 0.16759427268677 15.999 > 9 34 O 0.90245237393743 0.29113206475046 0.16759427268677 15.999 > 9 35 O 0.40245237393743 0.29113206475046 0.66759427268677 15.999 > 9 36 O 0.90245237393743 0.29113206475046 0.66759427268677 15.999 > 9 37 O 0.34754762606257 0.20886793524954 0.41759427268677 15.999 > 10 38 O 0.84754762606257 0.20886793524954 0.41759427268677 15.999 > 10 39 O 0.34754762606257 0.20886793524954 0.91759427268677 15.999 > 10 40 O 0.84754762606257 0.20886793524954 0.91759427268677 15.999 > 10 41 O 0.15245237393743 0.20886793524954 0.33240572731323 15.999 > 11 42 O 0.65245237393743 0.20886793524954 0.33240572731323 15.999 > 11 43 O 0.15245237393743 0.20886793524954 0.83240572731323 15.999 > 11 44 O 0.65245237393743 0.20886793524954 0.83240572731323 15.999 > 11 45 O 0.09754762606257 0.29113206475046 0.08240572731323 15.999 > 12 46 O 0.59754762606257 0.29113206475046 0.08240572731323 15.999 > 12 47 O 0.09754762606257 0.29113206475046 0.58240572731323 15.999 > 12 48 O 0.59754762606257 0.29113206475046 0.58240572731323 15.999 > 12 *49 O 0.17223680966479 0.06664973759908 0.02386590009149 15.999 > 13 50 O 0.67223680966479 0.06664973759908 0.02386590009149 15.999 > 13 51 O 0.17223680966479 0.06664973759908 0.52386590009149 15.999 > 13 52 O 0.67223680966479 0.06664973759908 0.52386590009149 15.999 > 13 53 O 0.07776319033521 0.43335026240092 0.27386590009149 15.999 > 14 54 O 0.57776319033521 0.43335026240092 0.27386590009149 15.999 > 14 55 O 0.07776319033521 0.43335026240092 0.77386590009149 15.999 > 14 56 O 0.57776319033521 0.43335026240092 0.77386590009149 15.999 > 14 57 O 0.42223680966479 0.43335026240092 0.47613409990851 15.999 > 15 58 O 0.92223680966479 0.43335026240092 0.47613409990851 15.999 > 15 59 O 0.42223680966479 0.43335026240092 0.97613409990851 15.999 > 15 60 O 0.92223680966479 0.43335026240092 0.97613409990851 15.999 > 15 61 O 0.32776319033521 0.06664973759908 0.22613409990851 15.999 > 16 62 O 0.82776319033521 0.06664973759908 0.22613409990851 15.999 > 16 63 O 0.32776319033521 0.06664973759908 0.72613409990851 15.999 > 16 64 O 0.82776319033521 0.06664973759908 0.72613409990851 15.999 > 16 65 O 0.32776319033521 0.93335026240092 0.47613409990851 15.999 > 17 66 O 0.82776319033521 0.93335026240092 0.47613409990851 15.999 > 17 67 O 0.32776319033521 0.93335026240092 0.97613409990851 15.999 > 17 68 O 0.82776319033521 0.93335026240092 0.97613409990851 15.999 > 17 69 O 0.42223680966479 0.56664973759908 0.22613409990851 15.999 > 18 70 O 0.92223680966479 0.56664973759908 0.22613409990851 15.999 > 18 71 O 0.42223680966479 0.56664973759908 0.72613409990851 15.999 > 18 72 O 0.92223680966479 0.56664973759908 0.72613409990851 15.999 > 18 73 O 0.07776319033521 0.56664973759908 0.02386590009149 15.999 > 19 74 O 0.57776319033521 0.56664973759908 0.02386590009149 15.999 > 19 75 O 0.07776319033521 0.56664973759908 0.52386590009149 15.999 > 19 76 O 0.57776319033521 0.56664973759908 0.52386590009149 15.999 > 19 77 O 0.17223680966479 0.93335026240092 0.27386590009149 15.999 > 20 78 O 0.67223680966479 0.93335026240092 0.27386590009149 15.999 > 20 79 O 0.17223680966479 0.93335026240092 0.77386590009149 15.999 > 20 80 O 0.67223680966479 0.93335026240092 0.77386590009149 15.999 > 20 *81 Mg 0.00000000000000 0.56071953595060 0.37500000000000 24.305 > 21 82 Mg 0.50000000000000 0.56071953595060 0.37500000000000 24.305 > 21 83 Mg 0.00000000000000 0.56071953595060 0.87500000000000 24.305 > 21 84 Mg 0.50000000000000 0.56071953595060 0.87500000000000 24.305 > 21 85 Mg 0.25000000000000 0.93928046404940 0.12500000000000 24.305 > 22 86 Mg 0.75000000000000 0.93928046404940 0.12500000000000 24.305 > 22 87 Mg 0.25000000000000 0.93928046404940 0.62500000000000 24.305 > 22 88 Mg 0.75000000000000 0.93928046404940 0.62500000000000 24.305 > 22 89 Mg 0.00000000000000 0.43928046404940 0.12500000000000 24.305 > 23 90 Mg 0.50000000000000 0.43928046404940 0.12500000000000 24.305 > 23 91 Mg 0.00000000000000 0.43928046404940 0.62500000000000 24.305 > 23 92 Mg 0.50000000000000 0.43928046404940 0.62500000000000 24.305 > 23 93 Mg 0.25000000000000 0.06071953595060 0.37500000000000 24.305 > 24 94 Mg 0.75000000000000 0.06071953595060 0.37500000000000 24.305 > 24 95 Mg 0.25000000000000 0.06071953595060 0.87500000000000 24.305 > 24 96 Mg 0.75000000000000 0.06071953595060 0.87500000000000 24.305 > 24 *97 Se 0.06717673539102 0.84553274039109 0.26483410879021 78.960 > 25 98 Se 0.56717673539102 0.84553274039109 0.26483410879021 78.960 > 25 99 Se 0.06717673539102 0.84553274039109 0.76483410879021 78.960 > 25 100 Se 0.56717673539102 0.84553274039109 0.76483410879021 78.960 > 25 101 Se 0.18282326460898 0.65446725960891 0.01483410879021 78.960 > 26 102 Se 0.68282326460898 0.65446725960891 0.01483410879021 78.960 > 26 103 Se 0.18282326460898 0.65446725960891 0.51483410879021 78.960 > 26 104 Se 0.68282326460898 0.65446725960891 0.51483410879021 78.960 > 26 105 Se 0.31717673539102 0.65446725960891 0.23516589120979 78.960 > 27 106 Se 0.81717673539102 0.65446725960891 0.23516589120979 78.960 > 27 107 Se 0.31717673539102 0.65446725960891 0.73516589120979 78.960 > 27 108 Se 0.81717673539102 0.65446725960891 0.73516589120979 78.960 > 27 109 Se 0.43282326460898 0.84553274039109 0.48516589120979 78.960 > 28 110 Se 0.93282326460898 0.84553274039109 0.48516589120979 78.960 > 28 111 Se 0.43282326460898 0.84553274039109 0.98516589120979 78.960 > 28 112 Se 0.93282326460898 0.84553274039109 0.98516589120979 78.960 > 28 113 Se 0.43282326460898 0.15446725960891 0.23516589120979 78.960 > 29 114 Se 0.93282326460898 0.15446725960891 0.23516589120979 78.960 > 29 115 Se 0.43282326460898 0.15446725960891 0.73516589120979 78.960 > 29 116 Se 0.93282326460898 0.15446725960891 0.73516589120979 78.960 > 29 117 Se 0.31717673539102 0.34553274039109 0.48516589120979 78.960 > 30 118 Se 0.81717673539102 0.34553274039109 0.48516589120979 78.960 > 30 119 Se 0.31717673539102 0.34553274039109 0.98516589120979 78.960 > 30 120 Se 0.81717673539102 0.34553274039109 0.98516589120979 78.960 > 30 121 Se 0.18282326460898 0.34553274039109 0.26483410879021 78.960 > 31 122 Se 0.68282326460898 0.34553274039109 0.26483410879021 78.960 > 31 123 Se 0.18282326460898 0.34553274039109 0.76483410879021 78.960 > 31 124 Se 0.68282326460898 0.34553274039109 0.76483410879021 78.960 > 31 125 Se 0.06717673539102 0.15446725960891 0.01483410879021 78.960 > 32 126 Se 0.56717673539102 0.15446725960891 0.01483410879021 78.960 > 32 127 Se 0.06717673539102 0.15446725960891 0.51483410879021 78.960 > 32 128 Se 0.56717673539102 0.15446725960891 0.51483410879021 78.960 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8633465 0.0000000 0.0000000 0.0000000 3.7701886 0.0000000 0.0000000 0.0000000 3.9760322 -------------------------- Born effective charges -------------------------- 1 O -1.9679720 0.0000000 -2.2683760 0.0000000 -1.4749999 0.0000000 -0.9439371 0.0000000 -2.7245201 2 O -1.9679720 0.0000000 2.2683760 0.0000000 -1.4749999 0.0000000 0.9439371 0.0000000 -2.7245201 3 O -1.9679720 0.0000000 -2.2683760 0.0000000 -1.4749999 0.0000000 -0.9439371 0.0000000 -2.7245201 4 O -1.9679720 0.0000000 2.2683760 0.0000000 -1.4749999 0.0000000 0.9439371 0.0000000 -2.7245201 5 O -1.2803459 0.3806520 -0.3567836 0.4018435 -2.0169345 0.9642305 -0.3504468 0.7094870 -1.7433178 6 O -1.2803459 0.3806520 0.3567836 0.4018435 -2.0169345 -0.9642305 0.3504468 -0.7094870 -1.7433178 7 O -1.2803459 -0.3806520 0.3567836 -0.4018435 -2.0169345 0.9642305 0.3504468 0.7094870 -1.7433178 8 O -1.2803459 -0.3806520 -0.3567836 -0.4018435 -2.0169345 -0.9642305 -0.3504468 -0.7094870 -1.7433178 9 O -1.2803459 0.3806520 -0.3567836 0.4018435 -2.0169345 0.9642305 -0.3504468 0.7094870 -1.7433178 10 O -1.2803459 0.3806520 0.3567836 0.4018435 -2.0169345 -0.9642305 0.3504468 -0.7094870 -1.7433178 11 O -1.2803459 -0.3806520 0.3567836 -0.4018435 -2.0169345 0.9642305 0.3504468 0.7094870 -1.7433178 12 O -1.2803459 -0.3806520 -0.3567836 -0.4018435 -2.0169345 -0.9642305 -0.3504468 -0.7094870 -1.7433178 13 O -2.1714460 0.6737299 -0.0196461 1.0295359 -1.6673718 0.2986471 0.5933206 -0.0943440 -1.1595960 14 O -2.1714460 0.6737299 0.0196461 1.0295359 -1.6673718 -0.2986471 -0.5933206 0.0943440 -1.1595960 15 O -2.1714460 -0.6737299 0.0196461 -1.0295359 -1.6673718 0.2986471 -0.5933206 -0.0943440 -1.1595960 16 O -2.1714460 -0.6737299 -0.0196461 -1.0295359 -1.6673718 -0.2986471 0.5933206 0.0943440 -1.1595960 17 O -2.1714460 0.6737299 -0.0196461 1.0295359 -1.6673718 0.2986471 0.5933206 -0.0943440 -1.1595960 18 O -2.1714460 0.6737299 0.0196461 1.0295359 -1.6673718 -0.2986471 -0.5933206 0.0943440 -1.1595960 19 O -2.1714460 -0.6737299 0.0196461 -1.0295359 -1.6673718 0.2986471 -0.5933206 -0.0943440 -1.1595960 20 O -2.1714460 -0.6737299 -0.0196461 -1.0295359 -1.6673718 -0.2986471 0.5933206 0.0943440 -1.1595960 21 Mg 2.4615017 0.0000000 0.0945675 0.0000000 2.6920895 0.0000000 0.2786091 0.0000000 2.0718377 22 Mg 2.4615017 0.0000000 -0.0945675 0.0000000 2.6920895 0.0000000 -0.2786091 0.0000000 2.0718377 23 Mg 2.4615017 0.0000000 0.0945675 0.0000000 2.6920895 0.0000000 0.2786091 0.0000000 2.0718377 24 Mg 2.4615017 0.0000000 -0.0945675 0.0000000 2.6920895 0.0000000 -0.2786091 0.0000000 2.0718377 25 Se 3.2050270 -0.7507329 -1.2643746 -0.0658827 3.0757615 0.3021542 -1.1181214 0.0435927 3.2292550 26 Se 3.2050270 -0.7507329 1.2643746 -0.0658827 3.0757615 -0.3021542 1.1181214 -0.0435927 3.2292550 27 Se 3.2050270 0.7507329 1.2643746 0.0658827 3.0757615 0.3021542 1.1181214 0.0435927 3.2292550 28 Se 3.2050270 0.7507329 -1.2643746 0.0658827 3.0757615 -0.3021542 -1.1181214 -0.0435927 3.2292550 29 Se 3.2050270 -0.7507329 -1.2643746 -0.0658827 3.0757615 0.3021542 -1.1181214 0.0435927 3.2292550 30 Se 3.2050270 -0.7507329 1.2643746 -0.0658827 3.0757615 -0.3021542 1.1181214 -0.0435927 3.2292550 31 Se 3.2050270 0.7507329 1.2643746 0.0658827 3.0757615 0.3021542 1.1181214 0.0435927 3.2292550 32 Se 3.2050270 0.7507329 -1.2643746 0.0658827 3.0757615 -0.3021542 -1.1181214 -0.0435927 3.2292550 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2404 Number of blocks in projector: 2404 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 240 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 292 Use standard eigh solver. Tree of FC basis block matrices: - (2404, 2367), data: False |-- (292, 287), data: True |-- (292, 287), data: True |-- (292, 287), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (520, 510), data: False |-- (520, 510), data: False |-- (520, 8), data: (520, 18) @ (18, 8) |-- (270, 262), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 1.925 Solver_block: 200 / 480 - Time: 1.437 Solver_block: 300 / 480 - Time: 0.949 Solver_block: 400 / 480 - Time: 1.720 Solver_block: 480 / 480 - Time: 0.985 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.466 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2404 Number of blocks in projector: 2404 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 240 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 244 eigenvectors found. (2) Block: 504 / 504 (2) 248 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 498 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 292 Use standard eigh solver. Tree of FC basis block matrices: - (2404, 2367), data: False |-- (292, 287), data: True |-- (292, 287), data: True |-- (292, 287), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (504, 498), data: False |-- (504, 498), data: False |-- (504, 6), data: (504, 12) @ (12, 6) |-- (254, 248), data: True |-- (250, 244), data: True |-- (520, 510), data: False |-- (520, 510), data: False |-- (520, 8), data: (520, 18) @ (18, 8) |-- (270, 262), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (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 02:22:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:22:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.839519840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405606060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.011683030000000 Atomic positions (fractional): 1 O 0.50000000000000 0.56533574062603 0.25000000000000 15.999 2 O 0.00000000000000 0.93466425937397 0.75000000000000 15.999 3 O 0.50000000000000 0.43466425937397 0.75000000000000 15.999 4 O 0.00000000000000 0.06533574062603 0.25000000000000 15.999 5 O 0.19509525212514 0.70886793524954 0.66481145462646 15.999 6 O 0.30490474787486 0.79113206475046 0.16481145462646 15.999 7 O 0.69509525212514 0.79113206475046 0.33518854537354 15.999 8 O 0.80490474787486 0.70886793524954 0.83518854537354 15.999 9 O 0.80490474787486 0.29113206475046 0.33518854537354 15.999 10 O 0.69509525212514 0.20886793524954 0.83518854537354 15.999 11 O 0.30490474787486 0.20886793524954 0.66481145462646 15.999 12 O 0.19509525212514 0.29113206475046 0.16481145462646 15.999 13 O 0.34447361932957 0.06664973759908 0.04773180018298 15.999 14 O 0.15552638067043 0.43335026240092 0.54773180018298 15.999 15 O 0.84447361932957 0.43335026240092 0.95226819981702 15.999 16 O 0.65552638067043 0.06664973759908 0.45226819981702 15.999 17 O 0.65552638067043 0.93335026240092 0.95226819981702 15.999 18 O 0.84447361932957 0.56664973759908 0.45226819981702 15.999 19 O 0.15552638067043 0.56664973759908 0.04773180018298 15.999 20 O 0.34447361932957 0.93335026240092 0.54773180018298 15.999 21 Mg 0.00000000000000 0.56071953595060 0.75000000000000 24.305 22 Mg 0.50000000000000 0.93928046404940 0.25000000000000 24.305 23 Mg 0.00000000000000 0.43928046404940 0.25000000000000 24.305 24 Mg 0.50000000000000 0.06071953595060 0.75000000000000 24.305 25 Se 0.13435347078204 0.84553274039109 0.52966821758041 78.960 26 Se 0.36564652921796 0.65446725960891 0.02966821758041 78.960 27 Se 0.63435347078204 0.65446725960891 0.47033178241959 78.960 28 Se 0.86564652921796 0.84553274039109 0.97033178241959 78.960 29 Se 0.86564652921796 0.15446725960891 0.47033178241959 78.960 30 Se 0.63435347078204 0.34553274039109 0.97033178241959 78.960 31 Se 0.36564652921796 0.34553274039109 0.52966821758041 78.960 32 Se 0.13435347078204 0.15446725960891 0.02966821758041 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.679039680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405606060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.023366060000001 Atomic positions (fractional): 1 O 0.25000000000000 0.56533574062603 0.12500000000000 15.999 > 1 2 O 0.75000000000000 0.56533574062603 0.12500000000000 15.999 > 1 3 O 0.25000000000000 0.56533574062603 0.62500000000000 15.999 > 1 4 O 0.75000000000000 0.56533574062603 0.62500000000000 15.999 > 1 5 O 0.00000000000000 0.93466425937397 0.37500000000000 15.999 > 5 6 O 0.50000000000000 0.93466425937397 0.37500000000000 15.999 > 5 7 O 0.00000000000000 0.93466425937397 0.87500000000000 15.999 > 5 8 O 0.50000000000000 0.93466425937397 0.87500000000000 15.999 > 5 9 O 0.25000000000000 0.43466425937397 0.37500000000000 15.999 > 9 10 O 0.75000000000000 0.43466425937397 0.37500000000000 15.999 > 9 11 O 0.25000000000000 0.43466425937397 0.87500000000000 15.999 > 9 12 O 0.75000000000000 0.43466425937397 0.87500000000000 15.999 > 9 13 O 0.00000000000000 0.06533574062603 0.12500000000000 15.999 > 13 14 O 0.50000000000000 0.06533574062603 0.12500000000000 15.999 > 13 15 O 0.00000000000000 0.06533574062603 0.62500000000000 15.999 > 13 16 O 0.50000000000000 0.06533574062603 0.62500000000000 15.999 > 13 17 O 0.09754762606257 0.70886793524954 0.33240572731323 15.999 > 17 18 O 0.59754762606257 0.70886793524954 0.33240572731323 15.999 > 17 19 O 0.09754762606257 0.70886793524954 0.83240572731323 15.999 > 17 20 O 0.59754762606257 0.70886793524954 0.83240572731323 15.999 > 17 21 O 0.15245237393743 0.79113206475046 0.08240572731323 15.999 > 21 22 O 0.65245237393743 0.79113206475046 0.08240572731323 15.999 > 21 23 O 0.15245237393743 0.79113206475046 0.58240572731323 15.999 > 21 24 O 0.65245237393743 0.79113206475046 0.58240572731323 15.999 > 21 25 O 0.34754762606257 0.79113206475046 0.16759427268677 15.999 > 25 26 O 0.84754762606257 0.79113206475046 0.16759427268677 15.999 > 25 27 O 0.34754762606257 0.79113206475046 0.66759427268677 15.999 > 25 28 O 0.84754762606257 0.79113206475046 0.66759427268677 15.999 > 25 29 O 0.40245237393743 0.70886793524954 0.41759427268677 15.999 > 29 30 O 0.90245237393743 0.70886793524954 0.41759427268677 15.999 > 29 31 O 0.40245237393743 0.70886793524954 0.91759427268677 15.999 > 29 32 O 0.90245237393743 0.70886793524954 0.91759427268677 15.999 > 29 33 O 0.40245237393743 0.29113206475046 0.16759427268677 15.999 > 33 34 O 0.90245237393743 0.29113206475046 0.16759427268677 15.999 > 33 35 O 0.40245237393743 0.29113206475046 0.66759427268677 15.999 > 33 36 O 0.90245237393743 0.29113206475046 0.66759427268677 15.999 > 33 37 O 0.34754762606257 0.20886793524954 0.41759427268677 15.999 > 37 38 O 0.84754762606257 0.20886793524954 0.41759427268677 15.999 > 37 39 O 0.34754762606257 0.20886793524954 0.91759427268677 15.999 > 37 40 O 0.84754762606257 0.20886793524954 0.91759427268677 15.999 > 37 41 O 0.15245237393743 0.20886793524954 0.33240572731323 15.999 > 41 42 O 0.65245237393743 0.20886793524954 0.33240572731323 15.999 > 41 43 O 0.15245237393743 0.20886793524954 0.83240572731323 15.999 > 41 44 O 0.65245237393743 0.20886793524954 0.83240572731323 15.999 > 41 45 O 0.09754762606257 0.29113206475046 0.08240572731323 15.999 > 45 46 O 0.59754762606257 0.29113206475046 0.08240572731323 15.999 > 45 47 O 0.09754762606257 0.29113206475046 0.58240572731323 15.999 > 45 48 O 0.59754762606257 0.29113206475046 0.58240572731323 15.999 > 45 49 O 0.17223680966479 0.06664973759908 0.02386590009149 15.999 > 49 50 O 0.67223680966479 0.06664973759908 0.02386590009149 15.999 > 49 51 O 0.17223680966479 0.06664973759908 0.52386590009149 15.999 > 49 52 O 0.67223680966479 0.06664973759908 0.52386590009149 15.999 > 49 53 O 0.07776319033521 0.43335026240092 0.27386590009149 15.999 > 53 54 O 0.57776319033521 0.43335026240092 0.27386590009149 15.999 > 53 55 O 0.07776319033521 0.43335026240092 0.77386590009149 15.999 > 53 56 O 0.57776319033521 0.43335026240092 0.77386590009149 15.999 > 53 57 O 0.42223680966479 0.43335026240092 0.47613409990851 15.999 > 57 58 O 0.92223680966479 0.43335026240092 0.47613409990851 15.999 > 57 59 O 0.42223680966479 0.43335026240092 0.97613409990851 15.999 > 57 60 O 0.92223680966479 0.43335026240092 0.97613409990851 15.999 > 57 61 O 0.32776319033521 0.06664973759908 0.22613409990851 15.999 > 61 62 O 0.82776319033521 0.06664973759908 0.22613409990851 15.999 > 61 63 O 0.32776319033521 0.06664973759908 0.72613409990851 15.999 > 61 64 O 0.82776319033521 0.06664973759908 0.72613409990851 15.999 > 61 65 O 0.32776319033521 0.93335026240092 0.47613409990851 15.999 > 65 66 O 0.82776319033521 0.93335026240092 0.47613409990851 15.999 > 65 67 O 0.32776319033521 0.93335026240092 0.97613409990851 15.999 > 65 68 O 0.82776319033521 0.93335026240092 0.97613409990851 15.999 > 65 69 O 0.42223680966479 0.56664973759908 0.22613409990851 15.999 > 69 70 O 0.92223680966479 0.56664973759908 0.22613409990851 15.999 > 69 71 O 0.42223680966479 0.56664973759908 0.72613409990851 15.999 > 69 72 O 0.92223680966479 0.56664973759908 0.72613409990851 15.999 > 69 73 O 0.07776319033521 0.56664973759908 0.02386590009149 15.999 > 73 74 O 0.57776319033521 0.56664973759908 0.02386590009149 15.999 > 73 75 O 0.07776319033521 0.56664973759908 0.52386590009149 15.999 > 73 76 O 0.57776319033521 0.56664973759908 0.52386590009149 15.999 > 73 77 O 0.17223680966479 0.93335026240092 0.27386590009149 15.999 > 77 78 O 0.67223680966479 0.93335026240092 0.27386590009149 15.999 > 77 79 O 0.17223680966479 0.93335026240092 0.77386590009149 15.999 > 77 80 O 0.67223680966479 0.93335026240092 0.77386590009149 15.999 > 77 81 Mg 0.00000000000000 0.56071953595060 0.37500000000000 24.305 > 81 82 Mg 0.50000000000000 0.56071953595060 0.37500000000000 24.305 > 81 83 Mg 0.00000000000000 0.56071953595060 0.87500000000000 24.305 > 81 84 Mg 0.50000000000000 0.56071953595060 0.87500000000000 24.305 > 81 85 Mg 0.25000000000000 0.93928046404940 0.12500000000000 24.305 > 85 86 Mg 0.75000000000000 0.93928046404940 0.12500000000000 24.305 > 85 87 Mg 0.25000000000000 0.93928046404940 0.62500000000000 24.305 > 85 88 Mg 0.75000000000000 0.93928046404940 0.62500000000000 24.305 > 85 89 Mg 0.00000000000000 0.43928046404940 0.12500000000000 24.305 > 89 90 Mg 0.50000000000000 0.43928046404940 0.12500000000000 24.305 > 89 91 Mg 0.00000000000000 0.43928046404940 0.62500000000000 24.305 > 89 92 Mg 0.50000000000000 0.43928046404940 0.62500000000000 24.305 > 89 93 Mg 0.25000000000000 0.06071953595060 0.37500000000000 24.305 > 93 94 Mg 0.75000000000000 0.06071953595060 0.37500000000000 24.305 > 93 95 Mg 0.25000000000000 0.06071953595060 0.87500000000000 24.305 > 93 96 Mg 0.75000000000000 0.06071953595060 0.87500000000000 24.305 > 93 97 Se 0.06717673539102 0.84553274039109 0.26483410879021 78.960 > 97 98 Se 0.56717673539102 0.84553274039109 0.26483410879021 78.960 > 97 99 Se 0.06717673539102 0.84553274039109 0.76483410879021 78.960 > 97 100 Se 0.56717673539102 0.84553274039109 0.76483410879021 78.960 > 97 101 Se 0.18282326460898 0.65446725960891 0.01483410879021 78.960 > 101 102 Se 0.68282326460898 0.65446725960891 0.01483410879021 78.960 > 101 103 Se 0.18282326460898 0.65446725960891 0.51483410879021 78.960 > 101 104 Se 0.68282326460898 0.65446725960891 0.51483410879021 78.960 > 101 105 Se 0.31717673539102 0.65446725960891 0.23516589120979 78.960 > 105 106 Se 0.81717673539102 0.65446725960891 0.23516589120979 78.960 > 105 107 Se 0.31717673539102 0.65446725960891 0.73516589120979 78.960 > 105 108 Se 0.81717673539102 0.65446725960891 0.73516589120979 78.960 > 105 109 Se 0.43282326460898 0.84553274039109 0.48516589120979 78.960 > 109 110 Se 0.93282326460898 0.84553274039109 0.48516589120979 78.960 > 109 111 Se 0.43282326460898 0.84553274039109 0.98516589120979 78.960 > 109 112 Se 0.93282326460898 0.84553274039109 0.98516589120979 78.960 > 109 113 Se 0.43282326460898 0.15446725960891 0.23516589120979 78.960 > 113 114 Se 0.93282326460898 0.15446725960891 0.23516589120979 78.960 > 113 115 Se 0.43282326460898 0.15446725960891 0.73516589120979 78.960 > 113 116 Se 0.93282326460898 0.15446725960891 0.73516589120979 78.960 > 113 117 Se 0.31717673539102 0.34553274039109 0.48516589120979 78.960 > 117 118 Se 0.81717673539102 0.34553274039109 0.48516589120979 78.960 > 117 119 Se 0.31717673539102 0.34553274039109 0.98516589120979 78.960 > 117 120 Se 0.81717673539102 0.34553274039109 0.98516589120979 78.960 > 117 121 Se 0.18282326460898 0.34553274039109 0.26483410879021 78.960 > 121 122 Se 0.68282326460898 0.34553274039109 0.26483410879021 78.960 > 121 123 Se 0.18282326460898 0.34553274039109 0.76483410879021 78.960 > 121 124 Se 0.68282326460898 0.34553274039109 0.76483410879021 78.960 > 121 125 Se 0.06717673539102 0.15446725960891 0.01483410879021 78.960 > 125 126 Se 0.56717673539102 0.15446725960891 0.01483410879021 78.960 > 125 127 Se 0.06717673539102 0.15446725960891 0.51483410879021 78.960 > 125 128 Se 0.56717673539102 0.15446725960891 0.51483410879021 78.960 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8633465 0.0000000 0.0000000 0.0000000 3.7701886 0.0000000 0.0000000 0.0000000 3.9760322 -------------------------- Born effective charges -------------------------- 1 O -1.9679720 0.0000000 -2.2683760 0.0000000 -1.4749999 0.0000000 -0.9439371 0.0000000 -2.7245201 2 O -1.9679720 0.0000000 2.2683760 0.0000000 -1.4749999 0.0000000 0.9439371 0.0000000 -2.7245201 3 O -1.9679720 0.0000000 -2.2683760 0.0000000 -1.4749999 0.0000000 -0.9439371 0.0000000 -2.7245201 4 O -1.9679720 0.0000000 2.2683760 0.0000000 -1.4749999 0.0000000 0.9439371 0.0000000 -2.7245201 5 O -1.2803459 0.3806520 -0.3567836 0.4018435 -2.0169345 0.9642305 -0.3504468 0.7094870 -1.7433178 6 O -1.2803459 0.3806520 0.3567836 0.4018435 -2.0169345 -0.9642305 0.3504468 -0.7094870 -1.7433178 7 O -1.2803459 -0.3806520 0.3567836 -0.4018435 -2.0169345 0.9642305 0.3504468 0.7094870 -1.7433178 8 O -1.2803459 -0.3806520 -0.3567836 -0.4018435 -2.0169345 -0.9642305 -0.3504468 -0.7094870 -1.7433178 9 O -1.2803459 0.3806520 -0.3567836 0.4018435 -2.0169345 0.9642305 -0.3504468 0.7094870 -1.7433178 10 O -1.2803459 0.3806520 0.3567836 0.4018435 -2.0169345 -0.9642305 0.3504468 -0.7094870 -1.7433178 11 O -1.2803459 -0.3806520 0.3567836 -0.4018435 -2.0169345 0.9642305 0.3504468 0.7094870 -1.7433178 12 O -1.2803459 -0.3806520 -0.3567836 -0.4018435 -2.0169345 -0.9642305 -0.3504468 -0.7094870 -1.7433178 13 O -2.1714460 0.6737299 -0.0196461 1.0295359 -1.6673718 0.2986471 0.5933206 -0.0943440 -1.1595960 14 O -2.1714460 0.6737299 0.0196461 1.0295359 -1.6673718 -0.2986471 -0.5933206 0.0943440 -1.1595960 15 O -2.1714460 -0.6737299 0.0196461 -1.0295359 -1.6673718 0.2986471 -0.5933206 -0.0943440 -1.1595960 16 O -2.1714460 -0.6737299 -0.0196461 -1.0295359 -1.6673718 -0.2986471 0.5933206 0.0943440 -1.1595960 17 O -2.1714460 0.6737299 -0.0196461 1.0295359 -1.6673718 0.2986471 0.5933206 -0.0943440 -1.1595960 18 O -2.1714460 0.6737299 0.0196461 1.0295359 -1.6673718 -0.2986471 -0.5933206 0.0943440 -1.1595960 19 O -2.1714460 -0.6737299 0.0196461 -1.0295359 -1.6673718 0.2986471 -0.5933206 -0.0943440 -1.1595960 20 O -2.1714460 -0.6737299 -0.0196461 -1.0295359 -1.6673718 -0.2986471 0.5933206 0.0943440 -1.1595960 21 Mg 2.4615017 0.0000000 0.0945675 0.0000000 2.6920895 0.0000000 0.2786091 0.0000000 2.0718377 22 Mg 2.4615017 0.0000000 -0.0945675 0.0000000 2.6920895 0.0000000 -0.2786091 0.0000000 2.0718377 23 Mg 2.4615017 0.0000000 0.0945675 0.0000000 2.6920895 0.0000000 0.2786091 0.0000000 2.0718377 24 Mg 2.4615017 0.0000000 -0.0945675 0.0000000 2.6920895 0.0000000 -0.2786091 0.0000000 2.0718377 25 Se 3.2050270 -0.7507329 -1.2643746 -0.0658827 3.0757615 0.3021542 -1.1181214 0.0435927 3.2292550 26 Se 3.2050270 -0.7507329 1.2643746 -0.0658827 3.0757615 -0.3021542 1.1181214 -0.0435927 3.2292550 27 Se 3.2050270 0.7507329 1.2643746 0.0658827 3.0757615 0.3021542 1.1181214 0.0435927 3.2292550 28 Se 3.2050270 0.7507329 -1.2643746 0.0658827 3.0757615 -0.3021542 -1.1181214 -0.0435927 3.2292550 29 Se 3.2050270 -0.7507329 -1.2643746 -0.0658827 3.0757615 0.3021542 -1.1181214 0.0435927 3.2292550 30 Se 3.2050270 -0.7507329 1.2643746 -0.0658827 3.0757615 -0.3021542 1.1181214 -0.0435927 3.2292550 31 Se 3.2050270 0.7507329 1.2643746 0.0658827 3.0757615 0.3021542 1.1181214 0.0435927 3.2292550 32 Se 3.2050270 0.7507329 -1.2643746 0.0658827 3.0757615 -0.3021542 -1.1181214 -0.0435927 3.2292550 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zx) 0.00000001 (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 02:23:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:23:10]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.839519840000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405606060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.011683030000000 Atomic positions (fractional): 1 O 0.50000000000000 0.56533574062603 0.25000000000000 15.999 2 O 0.00000000000000 0.93466425937397 0.75000000000000 15.999 3 O 0.50000000000000 0.43466425937397 0.75000000000000 15.999 4 O 0.00000000000000 0.06533574062603 0.25000000000000 15.999 5 O 0.19509525212514 0.70886793524954 0.66481145462646 15.999 6 O 0.30490474787486 0.79113206475046 0.16481145462646 15.999 7 O 0.69509525212514 0.79113206475046 0.33518854537354 15.999 8 O 0.80490474787486 0.70886793524954 0.83518854537354 15.999 9 O 0.80490474787486 0.29113206475046 0.33518854537354 15.999 10 O 0.69509525212514 0.20886793524954 0.83518854537354 15.999 11 O 0.30490474787486 0.20886793524954 0.66481145462646 15.999 12 O 0.19509525212514 0.29113206475046 0.16481145462646 15.999 13 O 0.34447361932957 0.06664973759908 0.04773180018298 15.999 14 O 0.15552638067043 0.43335026240092 0.54773180018298 15.999 15 O 0.84447361932957 0.43335026240092 0.95226819981702 15.999 16 O 0.65552638067043 0.06664973759908 0.45226819981702 15.999 17 O 0.65552638067043 0.93335026240092 0.95226819981702 15.999 18 O 0.84447361932957 0.56664973759908 0.45226819981702 15.999 19 O 0.15552638067043 0.56664973759908 0.04773180018298 15.999 20 O 0.34447361932957 0.93335026240092 0.54773180018298 15.999 21 Mg 0.00000000000000 0.56071953595060 0.75000000000000 24.305 22 Mg 0.50000000000000 0.93928046404940 0.25000000000000 24.305 23 Mg 0.00000000000000 0.43928046404940 0.25000000000000 24.305 24 Mg 0.50000000000000 0.06071953595060 0.75000000000000 24.305 25 Se 0.13435347078204 0.84553274039109 0.52966821758041 78.960 26 Se 0.36564652921796 0.65446725960891 0.02966821758041 78.960 27 Se 0.63435347078204 0.65446725960891 0.47033178241959 78.960 28 Se 0.86564652921796 0.84553274039109 0.97033178241959 78.960 29 Se 0.86564652921796 0.15446725960891 0.47033178241959 78.960 30 Se 0.63435347078204 0.34553274039109 0.97033178241959 78.960 31 Se 0.36564652921796 0.34553274039109 0.52966821758041 78.960 32 Se 0.13435347078204 0.15446725960891 0.02966821758041 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.679039680000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405606060000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.023366060000001 Atomic positions (fractional): 1 O 0.25000000000000 0.56533574062603 0.12500000000000 15.999 > 1 2 O 0.75000000000000 0.56533574062603 0.12500000000000 15.999 > 1 3 O 0.25000000000000 0.56533574062603 0.62500000000000 15.999 > 1 4 O 0.75000000000000 0.56533574062603 0.62500000000000 15.999 > 1 5 O 0.00000000000000 0.93466425937397 0.37500000000000 15.999 > 5 6 O 0.50000000000000 0.93466425937397 0.37500000000000 15.999 > 5 7 O 0.00000000000000 0.93466425937397 0.87500000000000 15.999 > 5 8 O 0.50000000000000 0.93466425937397 0.87500000000000 15.999 > 5 9 O 0.25000000000000 0.43466425937397 0.37500000000000 15.999 > 9 10 O 0.75000000000000 0.43466425937397 0.37500000000000 15.999 > 9 11 O 0.25000000000000 0.43466425937397 0.87500000000000 15.999 > 9 12 O 0.75000000000000 0.43466425937397 0.87500000000000 15.999 > 9 13 O 0.00000000000000 0.06533574062603 0.12500000000000 15.999 > 13 14 O 0.50000000000000 0.06533574062603 0.12500000000000 15.999 > 13 15 O 0.00000000000000 0.06533574062603 0.62500000000000 15.999 > 13 16 O 0.50000000000000 0.06533574062603 0.62500000000000 15.999 > 13 17 O 0.09754762606257 0.70886793524954 0.33240572731323 15.999 > 17 18 O 0.59754762606257 0.70886793524954 0.33240572731323 15.999 > 17 19 O 0.09754762606257 0.70886793524954 0.83240572731323 15.999 > 17 20 O 0.59754762606257 0.70886793524954 0.83240572731323 15.999 > 17 21 O 0.15245237393743 0.79113206475046 0.08240572731323 15.999 > 21 22 O 0.65245237393743 0.79113206475046 0.08240572731323 15.999 > 21 23 O 0.15245237393743 0.79113206475046 0.58240572731323 15.999 > 21 24 O 0.65245237393743 0.79113206475046 0.58240572731323 15.999 > 21 25 O 0.34754762606257 0.79113206475046 0.16759427268677 15.999 > 25 26 O 0.84754762606257 0.79113206475046 0.16759427268677 15.999 > 25 27 O 0.34754762606257 0.79113206475046 0.66759427268677 15.999 > 25 28 O 0.84754762606257 0.79113206475046 0.66759427268677 15.999 > 25 29 O 0.40245237393743 0.70886793524954 0.41759427268677 15.999 > 29 30 O 0.90245237393743 0.70886793524954 0.41759427268677 15.999 > 29 31 O 0.40245237393743 0.70886793524954 0.91759427268677 15.999 > 29 32 O 0.90245237393743 0.70886793524954 0.91759427268677 15.999 > 29 33 O 0.40245237393743 0.29113206475046 0.16759427268677 15.999 > 33 34 O 0.90245237393743 0.29113206475046 0.16759427268677 15.999 > 33 35 O 0.40245237393743 0.29113206475046 0.66759427268677 15.999 > 33 36 O 0.90245237393743 0.29113206475046 0.66759427268677 15.999 > 33 37 O 0.34754762606257 0.20886793524954 0.41759427268677 15.999 > 37 38 O 0.84754762606257 0.20886793524954 0.41759427268677 15.999 > 37 39 O 0.34754762606257 0.20886793524954 0.91759427268677 15.999 > 37 40 O 0.84754762606257 0.20886793524954 0.91759427268677 15.999 > 37 41 O 0.15245237393743 0.20886793524954 0.33240572731323 15.999 > 41 42 O 0.65245237393743 0.20886793524954 0.33240572731323 15.999 > 41 43 O 0.15245237393743 0.20886793524954 0.83240572731323 15.999 > 41 44 O 0.65245237393743 0.20886793524954 0.83240572731323 15.999 > 41 45 O 0.09754762606257 0.29113206475046 0.08240572731323 15.999 > 45 46 O 0.59754762606257 0.29113206475046 0.08240572731323 15.999 > 45 47 O 0.09754762606257 0.29113206475046 0.58240572731323 15.999 > 45 48 O 0.59754762606257 0.29113206475046 0.58240572731323 15.999 > 45 49 O 0.17223680966479 0.06664973759908 0.02386590009149 15.999 > 49 50 O 0.67223680966479 0.06664973759908 0.02386590009149 15.999 > 49 51 O 0.17223680966479 0.06664973759908 0.52386590009149 15.999 > 49 52 O 0.67223680966479 0.06664973759908 0.52386590009149 15.999 > 49 53 O 0.07776319033521 0.43335026240092 0.27386590009149 15.999 > 53 54 O 0.57776319033521 0.43335026240092 0.27386590009149 15.999 > 53 55 O 0.07776319033521 0.43335026240092 0.77386590009149 15.999 > 53 56 O 0.57776319033521 0.43335026240092 0.77386590009149 15.999 > 53 57 O 0.42223680966479 0.43335026240092 0.47613409990851 15.999 > 57 58 O 0.92223680966479 0.43335026240092 0.47613409990851 15.999 > 57 59 O 0.42223680966479 0.43335026240092 0.97613409990851 15.999 > 57 60 O 0.92223680966479 0.43335026240092 0.97613409990851 15.999 > 57 61 O 0.32776319033521 0.06664973759908 0.22613409990851 15.999 > 61 62 O 0.82776319033521 0.06664973759908 0.22613409990851 15.999 > 61 63 O 0.32776319033521 0.06664973759908 0.72613409990851 15.999 > 61 64 O 0.82776319033521 0.06664973759908 0.72613409990851 15.999 > 61 65 O 0.32776319033521 0.93335026240092 0.47613409990851 15.999 > 65 66 O 0.82776319033521 0.93335026240092 0.47613409990851 15.999 > 65 67 O 0.32776319033521 0.93335026240092 0.97613409990851 15.999 > 65 68 O 0.82776319033521 0.93335026240092 0.97613409990851 15.999 > 65 69 O 0.42223680966479 0.56664973759908 0.22613409990851 15.999 > 69 70 O 0.92223680966479 0.56664973759908 0.22613409990851 15.999 > 69 71 O 0.42223680966479 0.56664973759908 0.72613409990851 15.999 > 69 72 O 0.92223680966479 0.56664973759908 0.72613409990851 15.999 > 69 73 O 0.07776319033521 0.56664973759908 0.02386590009149 15.999 > 73 74 O 0.57776319033521 0.56664973759908 0.02386590009149 15.999 > 73 75 O 0.07776319033521 0.56664973759908 0.52386590009149 15.999 > 73 76 O 0.57776319033521 0.56664973759908 0.52386590009149 15.999 > 73 77 O 0.17223680966479 0.93335026240092 0.27386590009149 15.999 > 77 78 O 0.67223680966479 0.93335026240092 0.27386590009149 15.999 > 77 79 O 0.17223680966479 0.93335026240092 0.77386590009149 15.999 > 77 80 O 0.67223680966479 0.93335026240092 0.77386590009149 15.999 > 77 81 Mg 0.00000000000000 0.56071953595060 0.37500000000000 24.305 > 81 82 Mg 0.50000000000000 0.56071953595060 0.37500000000000 24.305 > 81 83 Mg 0.00000000000000 0.56071953595060 0.87500000000000 24.305 > 81 84 Mg 0.50000000000000 0.56071953595060 0.87500000000000 24.305 > 81 85 Mg 0.25000000000000 0.93928046404940 0.12500000000000 24.305 > 85 86 Mg 0.75000000000000 0.93928046404940 0.12500000000000 24.305 > 85 87 Mg 0.25000000000000 0.93928046404940 0.62500000000000 24.305 > 85 88 Mg 0.75000000000000 0.93928046404940 0.62500000000000 24.305 > 85 89 Mg 0.00000000000000 0.43928046404940 0.12500000000000 24.305 > 89 90 Mg 0.50000000000000 0.43928046404940 0.12500000000000 24.305 > 89 91 Mg 0.00000000000000 0.43928046404940 0.62500000000000 24.305 > 89 92 Mg 0.50000000000000 0.43928046404940 0.62500000000000 24.305 > 89 93 Mg 0.25000000000000 0.06071953595060 0.37500000000000 24.305 > 93 94 Mg 0.75000000000000 0.06071953595060 0.37500000000000 24.305 > 93 95 Mg 0.25000000000000 0.06071953595060 0.87500000000000 24.305 > 93 96 Mg 0.75000000000000 0.06071953595060 0.87500000000000 24.305 > 93 97 Se 0.06717673539102 0.84553274039109 0.26483410879021 78.960 > 97 98 Se 0.56717673539102 0.84553274039109 0.26483410879021 78.960 > 97 99 Se 0.06717673539102 0.84553274039109 0.76483410879021 78.960 > 97 100 Se 0.56717673539102 0.84553274039109 0.76483410879021 78.960 > 97 101 Se 0.18282326460898 0.65446725960891 0.01483410879021 78.960 > 101 102 Se 0.68282326460898 0.65446725960891 0.01483410879021 78.960 > 101 103 Se 0.18282326460898 0.65446725960891 0.51483410879021 78.960 > 101 104 Se 0.68282326460898 0.65446725960891 0.51483410879021 78.960 > 101 105 Se 0.31717673539102 0.65446725960891 0.23516589120979 78.960 > 105 106 Se 0.81717673539102 0.65446725960891 0.23516589120979 78.960 > 105 107 Se 0.31717673539102 0.65446725960891 0.73516589120979 78.960 > 105 108 Se 0.81717673539102 0.65446725960891 0.73516589120979 78.960 > 105 109 Se 0.43282326460898 0.84553274039109 0.48516589120979 78.960 > 109 110 Se 0.93282326460898 0.84553274039109 0.48516589120979 78.960 > 109 111 Se 0.43282326460898 0.84553274039109 0.98516589120979 78.960 > 109 112 Se 0.93282326460898 0.84553274039109 0.98516589120979 78.960 > 109 113 Se 0.43282326460898 0.15446725960891 0.23516589120979 78.960 > 113 114 Se 0.93282326460898 0.15446725960891 0.23516589120979 78.960 > 113 115 Se 0.43282326460898 0.15446725960891 0.73516589120979 78.960 > 113 116 Se 0.93282326460898 0.15446725960891 0.73516589120979 78.960 > 113 117 Se 0.31717673539102 0.34553274039109 0.48516589120979 78.960 > 117 118 Se 0.81717673539102 0.34553274039109 0.48516589120979 78.960 > 117 119 Se 0.31717673539102 0.34553274039109 0.98516589120979 78.960 > 117 120 Se 0.81717673539102 0.34553274039109 0.98516589120979 78.960 > 117 121 Se 0.18282326460898 0.34553274039109 0.26483410879021 78.960 > 121 122 Se 0.68282326460898 0.34553274039109 0.26483410879021 78.960 > 121 123 Se 0.18282326460898 0.34553274039109 0.76483410879021 78.960 > 121 124 Se 0.68282326460898 0.34553274039109 0.76483410879021 78.960 > 121 125 Se 0.06717673539102 0.15446725960891 0.01483410879021 78.960 > 125 126 Se 0.56717673539102 0.15446725960891 0.01483410879021 78.960 > 125 127 Se 0.06717673539102 0.15446725960891 0.51483410879021 78.960 > 125 128 Se 0.56717673539102 0.15446725960891 0.51483410879021 78.960 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8633465 0.0000000 0.0000000 0.0000000 3.7701886 0.0000000 0.0000000 0.0000000 3.9760322 -------------------------- Born effective charges -------------------------- 1 O -1.9679720 0.0000000 -2.2683760 0.0000000 -1.4749999 0.0000000 -0.9439371 0.0000000 -2.7245201 2 O -1.9679720 0.0000000 2.2683760 0.0000000 -1.4749999 0.0000000 0.9439371 0.0000000 -2.7245201 3 O -1.9679720 0.0000000 -2.2683760 0.0000000 -1.4749999 0.0000000 -0.9439371 0.0000000 -2.7245201 4 O -1.9679720 0.0000000 2.2683760 0.0000000 -1.4749999 0.0000000 0.9439371 0.0000000 -2.7245201 5 O -1.2803459 0.3806520 -0.3567836 0.4018435 -2.0169345 0.9642305 -0.3504468 0.7094870 -1.7433178 6 O -1.2803459 0.3806520 0.3567836 0.4018435 -2.0169345 -0.9642305 0.3504468 -0.7094870 -1.7433178 7 O -1.2803459 -0.3806520 0.3567836 -0.4018435 -2.0169345 0.9642305 0.3504468 0.7094870 -1.7433178 8 O -1.2803459 -0.3806520 -0.3567836 -0.4018435 -2.0169345 -0.9642305 -0.3504468 -0.7094870 -1.7433178 9 O -1.2803459 0.3806520 -0.3567836 0.4018435 -2.0169345 0.9642305 -0.3504468 0.7094870 -1.7433178 10 O -1.2803459 0.3806520 0.3567836 0.4018435 -2.0169345 -0.9642305 0.3504468 -0.7094870 -1.7433178 11 O -1.2803459 -0.3806520 0.3567836 -0.4018435 -2.0169345 0.9642305 0.3504468 0.7094870 -1.7433178 12 O -1.2803459 -0.3806520 -0.3567836 -0.4018435 -2.0169345 -0.9642305 -0.3504468 -0.7094870 -1.7433178 13 O -2.1714460 0.6737299 -0.0196461 1.0295359 -1.6673718 0.2986471 0.5933206 -0.0943440 -1.1595960 14 O -2.1714460 0.6737299 0.0196461 1.0295359 -1.6673718 -0.2986471 -0.5933206 0.0943440 -1.1595960 15 O -2.1714460 -0.6737299 0.0196461 -1.0295359 -1.6673718 0.2986471 -0.5933206 -0.0943440 -1.1595960 16 O -2.1714460 -0.6737299 -0.0196461 -1.0295359 -1.6673718 -0.2986471 0.5933206 0.0943440 -1.1595960 17 O -2.1714460 0.6737299 -0.0196461 1.0295359 -1.6673718 0.2986471 0.5933206 -0.0943440 -1.1595960 18 O -2.1714460 0.6737299 0.0196461 1.0295359 -1.6673718 -0.2986471 -0.5933206 0.0943440 -1.1595960 19 O -2.1714460 -0.6737299 0.0196461 -1.0295359 -1.6673718 0.2986471 -0.5933206 -0.0943440 -1.1595960 20 O -2.1714460 -0.6737299 -0.0196461 -1.0295359 -1.6673718 -0.2986471 0.5933206 0.0943440 -1.1595960 21 Mg 2.4615017 0.0000000 0.0945675 0.0000000 2.6920895 0.0000000 0.2786091 0.0000000 2.0718377 22 Mg 2.4615017 0.0000000 -0.0945675 0.0000000 2.6920895 0.0000000 -0.2786091 0.0000000 2.0718377 23 Mg 2.4615017 0.0000000 0.0945675 0.0000000 2.6920895 0.0000000 0.2786091 0.0000000 2.0718377 24 Mg 2.4615017 0.0000000 -0.0945675 0.0000000 2.6920895 0.0000000 -0.2786091 0.0000000 2.0718377 25 Se 3.2050270 -0.7507329 -1.2643746 -0.0658827 3.0757615 0.3021542 -1.1181214 0.0435927 3.2292550 26 Se 3.2050270 -0.7507329 1.2643746 -0.0658827 3.0757615 -0.3021542 1.1181214 -0.0435927 3.2292550 27 Se 3.2050270 0.7507329 1.2643746 0.0658827 3.0757615 0.3021542 1.1181214 0.0435927 3.2292550 28 Se 3.2050270 0.7507329 -1.2643746 0.0658827 3.0757615 -0.3021542 -1.1181214 -0.0435927 3.2292550 29 Se 3.2050270 -0.7507329 -1.2643746 -0.0658827 3.0757615 0.3021542 -1.1181214 0.0435927 3.2292550 30 Se 3.2050270 -0.7507329 1.2643746 -0.0658827 3.0757615 -0.3021542 1.1181214 -0.0435927 3.2292550 31 Se 3.2050270 0.7507329 1.2643746 0.0658827 3.0757615 0.3021542 1.1181214 0.0435927 3.2292550 32 Se 3.2050270 0.7507329 -1.2643746 0.0658827 3.0757615 -0.3021542 -1.1181214 -0.0435927 3.2292550 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yyy) -0.00000002 (yyy) -0.00000002 (yyy) 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 ... [ 7 5 8 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.808 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 3.062 ( 0.000 0.000 0.000) 0.000 3.067 ( 0.000 0.000 0.000) 0.000 3.362 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.560 ( 0.000 0.000 0.000) 0.000 3.683 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.124 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.801 ( 0.000 0.000 0.000) 0.000 4.867 ( 0.000 0.000 0.000) 0.000 5.031 ( 0.000 0.000 0.000) 0.000 5.388 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.643 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.069 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.299 ( 0.000 0.000 0.000) 0.000 8.339 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.268 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.476 ( 0.000 0.000 0.000) 0.000 9.585 ( 0.000 0.000 0.000) 0.000 9.587 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 10.006 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 11.426 ( 0.000 0.000 0.000) 0.000 11.616 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 12.076 ( 0.000 0.000 0.000) 0.000 12.289 ( 0.000 0.000 0.000) 0.000 12.634 ( 0.000 0.000 0.000) 0.000 12.948 ( 0.000 0.000 0.000) 0.000 12.963 ( 0.000 0.000 0.000) 0.000 12.981 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.146 ( 0.000 0.000 0.000) 0.000 13.213 ( 0.000 0.000 0.000) 0.000 13.351 ( 0.000 0.000 0.000) 0.000 13.385 ( 0.000 0.000 0.000) 0.000 14.587 ( 0.000 0.000 0.000) 0.000 14.645 ( 0.000 0.000 0.000) 0.000 14.711 ( 0.000 0.000 0.000) 0.000 14.925 ( 0.000 0.000 0.000) 0.000 15.383 ( 0.000 0.000 0.000) 0.000 15.393 ( 0.000 0.000 0.000) 0.000 16.451 ( 0.000 0.000 0.000) 0.000 16.978 ( 0.000 0.000 0.000) 0.000 21.916 ( 0.000 0.000 0.000) 0.000 21.975 ( 0.000 0.000 0.000) 0.000 22.218 ( 0.000 0.000 0.000) 0.000 22.477 ( 0.000 0.000 0.000) 0.000 22.748 ( 0.000 0.000 0.000) 0.000 23.063 ( 0.000 0.000 0.000) 0.000 23.205 ( 0.000 0.000 0.000) 0.000 23.772 ( 0.000 0.000 0.000) 0.000 23.794 ( 0.000 0.000 0.000) 0.000 24.236 ( 0.000 0.000 0.000) 0.000 24.528 ( 0.000 0.000 0.000) 0.000 24.925 ( 0.000 0.000 0.000) 0.000 25.064 ( 0.000 0.000 0.000) 0.000 25.109 ( 0.000 0.000 0.000) 0.000 25.249 ( 0.000 0.000 0.000) 0.000 26.054 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 30.535 0.000 0.000) 30.535 0.718 ( 31.224 0.000 0.000) 31.224 1.018 ( 47.020 0.000 0.000) 47.020 1.779 ( 15.959 0.000 0.000) 15.959 2.014 ( 18.937 0.000 0.000) 18.937 2.242 ( 4.752 0.000 0.000) 4.752 2.492 ( 4.793 0.000 0.000) 4.793 2.739 ( 3.283 0.000 0.000) 3.283 2.942 ( -9.801 0.000 0.000) 9.801 3.316 ( -4.264 0.000 0.000) 4.264 3.431 ( -8.233 0.000 0.000) 8.233 3.434 ( -4.236 0.000 0.000) 4.236 3.485 ( -6.410 0.000 0.000) 6.410 3.665 ( -2.332 0.000 0.000) 2.332 3.834 ( 2.505 0.000 0.000) 2.505 3.895 ( 11.908 0.000 0.000) 11.908 4.085 ( -4.086 0.000 0.000) 4.086 4.138 ( 2.399 0.000 0.000) 2.399 4.313 ( -1.635 0.000 0.000) 1.635 4.394 ( 0.791 0.000 0.000) 0.791 4.428 ( 3.325 0.000 0.000) 3.325 4.582 ( -0.595 0.000 0.000) 0.595 4.740 ( -4.506 0.000 0.000) 4.506 4.999 ( 10.863 0.000 0.000) 10.863 5.001 ( -6.303 0.000 0.000) 6.303 5.134 ( -13.942 0.000 0.000) 13.942 5.433 ( -0.814 0.000 0.000) 0.814 5.478 ( -3.490 0.000 0.000) 3.490 5.542 ( -1.330 0.000 0.000) 1.330 5.552 ( 5.289 0.000 0.000) 5.289 5.565 ( -1.470 0.000 0.000) 1.470 5.680 ( 0.850 0.000 0.000) 0.850 5.819 ( 14.173 0.000 0.000) 14.173 6.110 ( -6.051 0.000 0.000) 6.051 6.350 ( -0.958 0.000 0.000) 0.958 6.899 ( -5.228 0.000 0.000) 5.228 7.043 ( -3.392 0.000 0.000) 3.392 7.112 ( 5.833 0.000 0.000) 5.833 7.229 ( 8.214 0.000 0.000) 8.214 7.374 ( -3.447 0.000 0.000) 3.447 7.980 ( -10.386 0.000 0.000) 10.386 8.043 ( 1.335 0.000 0.000) 1.335 8.305 ( 1.420 0.000 0.000) 1.420 8.376 ( 2.918 0.000 0.000) 2.918 8.706 ( -10.053 0.000 0.000) 10.053 8.840 ( -11.774 0.000 0.000) 11.774 8.953 ( -4.993 0.000 0.000) 4.993 9.239 ( -2.332 0.000 0.000) 2.332 9.404 ( -2.356 0.000 0.000) 2.356 9.430 ( -4.829 0.000 0.000) 4.829 9.632 ( 4.122 0.000 0.000) 4.122 9.666 ( 4.887 0.000 0.000) 4.887 9.883 ( -3.497 0.000 0.000) 3.497 10.043 ( 2.823 0.000 0.000) 2.823 10.791 ( 9.193 0.000 0.000) 9.193 10.839 ( 1.400 0.000 0.000) 1.400 10.864 ( 5.840 0.000 0.000) 5.840 11.459 ( 2.807 0.000 0.000) 2.807 11.603 ( -0.614 0.000 0.000) 0.614 11.803 ( 6.227 0.000 0.000) 6.227 12.091 ( -0.281 0.000 0.000) 0.281 12.276 ( 0.076 0.000 0.000) 0.076 12.539 ( 0.733 0.000 0.000) 0.733 12.645 ( 0.436 0.000 0.000) 0.436 12.846 ( -7.979 0.000 0.000) 7.979 12.989 ( 3.527 0.000 0.000) 3.527 13.007 ( 4.552 0.000 0.000) 4.552 13.147 ( -4.673 0.000 0.000) 4.673 13.280 ( 7.418 0.000 0.000) 7.418 13.335 ( -4.610 0.000 0.000) 4.610 13.420 ( 4.903 0.000 0.000) 4.903 13.751 ( -11.115 0.000 0.000) 11.115 14.659 ( 5.604 0.000 0.000) 5.604 14.676 ( 2.756 0.000 0.000) 2.756 14.741 ( 2.593 0.000 0.000) 2.593 15.191 ( -9.495 0.000 0.000) 9.495 15.565 ( 7.952 0.000 0.000) 7.952 16.419 ( -3.183 0.000 0.000) 3.183 16.972 ( -0.493 0.000 0.000) 0.493 17.090 ( -1.983 0.000 0.000) 1.983 21.933 ( -3.460 0.000 0.000) 3.460 21.960 ( 4.091 0.000 0.000) 4.091 22.375 ( -8.821 0.000 0.000) 8.821 22.713 ( -3.325 0.000 0.000) 3.325 23.103 ( 3.414 0.000 0.000) 3.414 23.206 ( 1.127 0.000 0.000) 1.127 23.229 ( 1.838 0.000 0.000) 1.838 23.741 ( -4.813 0.000 0.000) 4.813 23.791 ( 1.793 0.000 0.000) 1.793 24.202 ( -3.052 0.000 0.000) 3.052 24.951 ( 2.249 0.000 0.000) 2.249 25.075 ( 0.895 0.000 0.000) 0.895 25.129 ( 2.183 0.000 0.000) 2.183 25.268 ( 1.715 0.000 0.000) 1.715 25.311 ( 1.718 0.000 0.000) 1.718 25.992 ( -5.771 0.000 0.000) 5.771 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 29.925 0.000 0.000) 29.925 1.292 ( 24.390 0.000 0.000) 24.390 1.920 ( 37.800 0.000 0.000) 37.800 2.170 ( 19.623 0.000 0.000) 19.623 2.336 ( 2.618 0.000 0.000) 2.618 2.517 ( 26.221 0.000 0.000) 26.221 2.540 ( -7.014 0.000 0.000) 7.014 2.787 ( 2.253 0.000 0.000) 2.253 2.808 ( 2.003 0.000 0.000) 2.003 3.194 ( -7.456 0.000 0.000) 7.456 3.265 ( -6.598 0.000 0.000) 6.598 3.327 ( -5.330 0.000 0.000) 5.330 3.327 ( -7.817 0.000 0.000) 7.817 3.559 ( -7.857 0.000 0.000) 7.857 3.869 ( -1.289 0.000 0.000) 1.289 4.013 ( 1.279 0.000 0.000) 1.279 4.130 ( -3.089 0.000 0.000) 3.089 4.153 ( 11.492 0.000 0.000) 11.492 4.255 ( -3.592 0.000 0.000) 3.592 4.458 ( 1.769 0.000 0.000) 1.769 4.509 ( 3.248 0.000 0.000) 3.248 4.545 ( -3.199 0.000 0.000) 3.199 4.658 ( -3.087 0.000 0.000) 3.087 4.790 ( -13.422 0.000 0.000) 13.422 4.951 ( 0.137 0.000 0.000) 0.137 5.233 ( 9.686 0.000 0.000) 9.686 5.403 ( -2.788 0.000 0.000) 2.788 5.436 ( 1.471 0.000 0.000) 1.471 5.532 ( -2.287 0.000 0.000) 2.287 5.583 ( 7.257 0.000 0.000) 7.257 5.627 ( -6.152 0.000 0.000) 6.152 5.636 ( 1.137 0.000 0.000) 1.137 5.939 ( -9.907 0.000 0.000) 9.907 6.099 ( 12.576 0.000 0.000) 12.576 6.327 ( -2.514 0.000 0.000) 2.514 6.789 ( -2.620 0.000 0.000) 2.620 6.882 ( -11.565 0.000 0.000) 11.565 7.271 ( 8.836 0.000 0.000) 8.836 7.384 ( 4.914 0.000 0.000) 4.914 7.392 ( 2.840 0.000 0.000) 2.840 7.757 ( -6.243 0.000 0.000) 6.243 8.009 ( -4.474 0.000 0.000) 4.474 8.418 ( 9.590 0.000 0.000) 9.590 8.446 ( -13.775 0.000 0.000) 13.775 8.454 ( 4.682 0.000 0.000) 4.682 8.517 ( -17.926 0.000 0.000) 17.926 8.840 ( -5.923 0.000 0.000) 5.923 9.190 ( -2.024 0.000 0.000) 2.024 9.256 ( -11.685 0.000 0.000) 11.685 9.306 ( -5.593 0.000 0.000) 5.593 9.736 ( 5.087 0.000 0.000) 5.087 9.807 ( 7.427 0.000 0.000) 7.427 9.834 ( -0.739 0.000 0.000) 0.739 10.086 ( 0.551 0.000 0.000) 0.551 10.875 ( 1.935 0.000 0.000) 1.935 10.966 ( 2.677 0.000 0.000) 2.677 11.039 ( 13.894 0.000 0.000) 13.894 11.526 ( 3.227 0.000 0.000) 3.227 11.602 ( 0.441 0.000 0.000) 0.441 11.965 ( -11.241 0.000 0.000) 11.241 11.994 ( 12.099 0.000 0.000) 12.099 12.381 ( 9.677 0.000 0.000) 9.677 12.563 ( 1.565 0.000 0.000) 1.565 12.624 ( -2.882 0.000 0.000) 2.882 12.719 ( -4.213 0.000 0.000) 4.213 13.053 ( -3.858 0.000 0.000) 3.858 13.057 ( 1.121 0.000 0.000) 1.121 13.153 ( 7.865 0.000 0.000) 7.865 13.210 ( -5.810 0.000 0.000) 5.810 13.395 ( 3.312 0.000 0.000) 3.312 13.494 ( -11.272 0.000 0.000) 11.272 13.511 ( 2.858 0.000 0.000) 2.858 14.749 ( 3.825 0.000 0.000) 3.825 14.772 ( 4.472 0.000 0.000) 4.472 14.804 ( 3.034 0.000 0.000) 3.034 15.011 ( -7.151 0.000 0.000) 7.151 15.730 ( 8.148 0.000 0.000) 8.148 16.312 ( -7.131 0.000 0.000) 7.131 16.961 ( -0.437 0.000 0.000) 0.437 17.038 ( -2.749 0.000 0.000) 2.749 21.864 ( -2.381 0.000 0.000) 2.381 22.081 ( 7.333 0.000 0.000) 7.333 22.160 ( -10.702 0.000 0.000) 10.702 22.609 ( -6.598 0.000 0.000) 6.598 23.184 ( 3.797 0.000 0.000) 3.797 23.247 ( 2.922 0.000 0.000) 2.922 23.263 ( 1.205 0.000 0.000) 1.205 23.611 ( -7.172 0.000 0.000) 7.172 23.844 ( 3.293 0.000 0.000) 3.293 24.119 ( -4.577 0.000 0.000) 4.577 25.007 ( 2.809 0.000 0.000) 2.809 25.092 ( 0.490 0.000 0.000) 0.490 25.213 ( 5.952 0.000 0.000) 5.952 25.311 ( 2.077 0.000 0.000) 2.077 25.347 ( 1.486 0.000 0.000) 1.486 25.825 ( -9.804 0.000 0.000) 9.804 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 21.523 0.000 0.000) 21.523 1.859 ( 25.379 0.000 0.000) 25.379 2.188 ( -17.718 0.000 0.000) 17.718 2.263 ( -11.547 0.000 0.000) 11.547 2.541 ( 14.919 0.000 0.000) 14.919 2.600 ( 22.021 0.000 0.000) 22.021 2.768 ( -6.447 0.000 0.000) 6.447 2.926 ( -0.139 0.000 0.000) 0.139 2.980 ( 10.274 0.000 0.000) 10.274 3.020 ( -0.382 0.000 0.000) 0.382 3.175 ( -1.974 0.000 0.000) 1.974 3.200 ( -4.018 0.000 0.000) 4.018 3.261 ( 0.624 0.000 0.000) 0.624 3.371 ( -8.705 0.000 0.000) 8.705 3.875 ( 4.324 0.000 0.000) 4.324 4.016 ( -7.360 0.000 0.000) 7.360 4.134 ( 8.454 0.000 0.000) 8.454 4.205 ( 1.096 0.000 0.000) 1.096 4.302 ( -0.958 0.000 0.000) 0.958 4.339 ( -10.379 0.000 0.000) 10.379 4.525 ( -6.559 0.000 0.000) 6.559 4.530 ( -1.317 0.000 0.000) 1.317 4.539 ( 2.607 0.000 0.000) 2.607 4.600 ( -2.811 0.000 0.000) 2.811 5.138 ( 13.580 0.000 0.000) 13.580 5.394 ( 2.244 0.000 0.000) 2.244 5.400 ( 7.303 0.000 0.000) 7.303 5.411 ( -11.160 0.000 0.000) 11.160 5.480 ( -5.338 0.000 0.000) 5.338 5.494 ( 2.012 0.000 0.000) 2.012 5.599 ( -1.652 0.000 0.000) 1.652 5.721 ( -9.844 0.000 0.000) 9.844 5.842 ( 15.363 0.000 0.000) 15.363 6.158 ( -13.308 0.000 0.000) 13.308 6.353 ( 12.023 0.000 0.000) 12.023 6.614 ( -13.095 0.000 0.000) 13.095 6.897 ( 12.158 0.000 0.000) 12.158 7.206 ( -15.458 0.000 0.000) 15.458 7.451 ( 7.400 0.000 0.000) 7.400 7.508 ( 3.644 0.000 0.000) 3.644 7.870 ( 12.283 0.000 0.000) 12.283 7.943 ( 1.482 0.000 0.000) 1.482 8.147 ( -15.989 0.000 0.000) 15.989 8.153 ( -14.088 0.000 0.000) 14.088 8.570 ( 6.258 0.000 0.000) 6.258 8.671 ( 13.844 0.000 0.000) 13.844 8.707 ( -6.629 0.000 0.000) 6.629 8.973 ( -14.606 0.000 0.000) 14.606 9.168 ( 0.215 0.000 0.000) 0.215 9.207 ( -3.498 0.000 0.000) 3.498 9.817 ( 2.318 0.000 0.000) 2.318 9.835 ( 0.186 0.000 0.000) 0.186 9.952 ( 6.210 0.000 0.000) 6.210 10.055 ( -3.402 0.000 0.000) 3.402 10.920 ( 2.408 0.000 0.000) 2.408 10.969 ( -1.785 0.000 0.000) 1.785 11.351 ( 15.629 0.000 0.000) 15.629 11.583 ( 2.045 0.000 0.000) 2.045 11.607 ( -0.299 0.000 0.000) 0.299 11.678 ( -15.304 0.000 0.000) 15.304 12.276 ( 13.540 0.000 0.000) 13.540 12.511 ( -8.306 0.000 0.000) 8.306 12.603 ( 2.118 0.000 0.000) 2.118 12.633 ( 10.249 0.000 0.000) 10.249 12.657 ( 1.367 0.000 0.000) 1.367 12.934 ( -12.501 0.000 0.000) 12.501 13.007 ( -0.026 0.000 0.000) 0.026 13.064 ( -5.330 0.000 0.000) 5.330 13.361 ( 9.162 0.000 0.000) 9.162 13.387 ( 0.622 0.000 0.000) 0.622 13.418 ( -0.855 0.000 0.000) 0.855 13.504 ( -3.847 0.000 0.000) 3.847 14.817 ( 2.274 0.000 0.000) 2.274 14.831 ( 1.058 0.000 0.000) 1.058 14.858 ( 2.109 0.000 0.000) 2.109 14.906 ( -3.128 0.000 0.000) 3.128 15.916 ( 9.759 0.000 0.000) 9.759 16.128 ( -10.043 0.000 0.000) 10.043 16.960 ( 0.525 0.000 0.000) 0.525 16.987 ( -1.980 0.000 0.000) 1.980 21.859 ( 2.275 0.000 0.000) 2.275 21.963 ( -7.559 0.000 0.000) 7.559 22.255 ( 9.048 0.000 0.000) 9.048 22.445 ( -8.799 0.000 0.000) 8.799 23.248 ( 2.214 0.000 0.000) 2.214 23.274 ( -0.296 0.000 0.000) 0.296 23.332 ( 5.174 0.000 0.000) 5.174 23.460 ( -6.953 0.000 0.000) 6.953 23.924 ( 4.275 0.000 0.000) 4.275 24.020 ( -4.779 0.000 0.000) 4.779 25.059 ( 2.066 0.000 0.000) 2.066 25.089 ( -0.775 0.000 0.000) 0.775 25.347 ( 1.233 0.000 0.000) 1.233 25.351 ( 2.474 0.000 0.000) 2.474 25.390 ( 7.198 0.000 0.000) 7.198 25.602 ( -11.058 0.000 0.000) 11.058 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.000 27.900 0.000) 27.900 0.590 ( 0.000 29.948 0.000) 29.948 1.068 ( 0.000 53.728 0.000) 53.728 1.577 ( 0.000 -2.455 0.000) 2.455 1.798 ( 0.000 -3.209 0.000) 3.209 2.148 ( 0.000 -2.706 0.000) 2.706 2.153 ( 0.000 -4.314 0.000) 4.314 2.715 ( 0.000 1.056 0.000) 1.056 2.946 ( 0.000 -9.807 0.000) 9.807 3.165 ( 0.000 10.095 0.000) 10.095 3.242 ( 0.000 -9.219 0.000) 9.219 3.298 ( 0.000 -20.074 0.000) 20.074 3.509 ( 0.000 -0.434 0.000) 0.434 3.598 ( 0.000 -9.092 0.000) 9.092 3.703 ( 0.000 -2.931 0.000) 2.931 3.848 ( 0.000 0.042 0.000) 0.042 4.111 ( 0.000 1.924 0.000) 1.924 4.205 ( 0.000 8.765 0.000) 8.765 4.429 ( 0.000 7.148 0.000) 7.148 4.473 ( 0.000 6.477 0.000) 6.477 4.498 ( 0.000 5.175 0.000) 5.175 4.557 ( 0.000 -1.579 0.000) 1.579 4.731 ( 0.000 -1.287 0.000) 1.287 5.002 ( 0.000 -3.644 0.000) 3.644 5.065 ( 0.000 11.964 0.000) 11.964 5.242 ( 0.000 -9.595 0.000) 9.595 5.334 ( 0.000 -7.707 0.000) 7.707 5.456 ( 0.000 -12.084 0.000) 12.084 5.462 ( 0.000 1.368 0.000) 1.368 5.567 ( 0.000 -1.236 0.000) 1.236 5.655 ( 0.000 2.174 0.000) 2.174 5.673 ( 0.000 5.917 0.000) 5.917 5.684 ( 0.000 10.026 0.000) 10.026 6.064 ( 0.000 -8.292 0.000) 8.292 6.421 ( 0.000 4.928 0.000) 4.928 6.957 ( 0.000 -14.182 0.000) 14.182 6.974 ( 0.000 1.779 0.000) 1.779 7.052 ( 0.000 1.031 0.000) 1.031 7.150 ( 0.000 3.664 0.000) 3.664 7.418 ( 0.000 -4.705 0.000) 4.705 8.045 ( 0.000 7.472 0.000) 7.472 8.055 ( 0.000 2.380 0.000) 2.380 8.497 ( 0.000 14.146 0.000) 14.146 8.554 ( 0.000 17.156 0.000) 17.156 8.746 ( 0.000 -7.431 0.000) 7.431 8.872 ( 0.000 -9.733 0.000) 9.733 9.000 ( 0.000 -2.424 0.000) 2.424 9.266 ( 0.000 -0.007 0.000) 0.007 9.338 ( 0.000 -4.915 0.000) 4.915 9.496 ( 0.000 -7.931 0.000) 7.931 9.603 ( 0.000 1.828 0.000) 1.828 9.886 ( 0.000 -4.390 0.000) 4.390 10.038 ( 0.000 3.307 0.000) 3.307 10.511 ( 0.000 -11.864 0.000) 11.864 10.785 ( 0.000 -0.602 0.000) 0.602 10.795 ( 0.000 -2.046 0.000) 2.046 10.979 ( 0.000 9.871 0.000) 9.871 11.261 ( 0.000 8.587 0.000) 8.587 11.514 ( 0.000 -8.515 0.000) 8.515 11.522 ( 0.000 9.434 0.000) 9.434 11.694 ( 0.000 -4.023 0.000) 4.023 12.200 ( 0.000 10.631 0.000) 10.631 12.216 ( 0.000 -7.387 0.000) 7.387 12.755 ( 0.000 -4.526 0.000) 4.526 12.932 ( 0.000 0.049 0.000) 0.049 12.989 ( 0.000 0.814 0.000) 0.814 12.997 ( 0.000 0.827 0.000) 0.827 13.062 ( 0.000 5.129 0.000) 5.129 13.113 ( 0.000 -3.169 0.000) 3.169 13.231 ( 0.000 1.816 0.000) 1.816 13.330 ( 0.000 -2.158 0.000) 2.158 13.370 ( 0.000 -1.513 0.000) 1.513 14.595 ( 0.000 0.827 0.000) 0.827 14.642 ( 0.000 -0.327 0.000) 0.327 14.968 ( 0.000 4.259 0.000) 4.259 15.337 ( 0.000 -4.521 0.000) 4.521 15.401 ( 0.000 0.792 0.000) 0.792 15.472 ( 0.000 -0.948 0.000) 0.948 16.498 ( 0.000 4.763 0.000) 4.763 16.925 ( 0.000 -5.302 0.000) 5.302 21.896 ( 0.000 -0.919 0.000) 0.919 22.154 ( 0.000 -6.012 0.000) 6.012 22.596 ( 0.000 10.804 0.000) 10.804 22.792 ( 0.000 4.444 0.000) 4.444 23.065 ( 0.000 -0.536 0.000) 0.536 23.162 ( 0.000 -4.331 0.000) 4.331 23.786 ( 0.000 1.416 0.000) 1.416 23.800 ( 0.000 0.723 0.000) 0.723 23.915 ( 0.000 -1.668 0.000) 1.668 24.106 ( 0.000 -9.985 0.000) 9.985 24.632 ( 0.000 7.649 0.000) 7.649 24.910 ( 0.000 -1.640 0.000) 1.640 25.125 ( 0.000 1.523 0.000) 1.523 25.237 ( 0.000 -1.170 0.000) 1.170 26.057 ( 0.000 0.298 0.000) 0.298 26.085 ( 0.000 -0.355 0.000) 0.355 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 20.927 19.467 0.000) 28.581 0.883 ( 22.937 14.929 0.000) 27.368 1.446 ( 28.648 33.455 0.000) 44.045 1.762 ( 16.768 -0.325 0.000) 16.771 1.987 ( 17.057 -4.751 0.000) 17.707 2.241 ( 8.190 0.533 0.000) 8.208 2.367 ( 10.797 -9.117 0.000) 14.131 2.750 ( 2.742 0.648 0.000) 2.817 2.907 ( -8.765 -5.349 0.000) 10.268 3.170 ( -5.658 -15.000 0.000) 16.032 3.292 ( -1.810 -11.503 0.000) 11.645 3.350 ( 4.315 -1.143 0.000) 4.463 3.452 ( -4.546 1.342 0.000) 4.740 3.609 ( 0.748 -6.124 0.000) 6.170 3.724 ( 6.828 -8.990 0.000) 11.289 3.834 ( 0.340 -1.278 0.000) 1.322 4.182 ( 4.163 5.490 0.000) 6.890 4.235 ( 0.777 6.918 0.000) 6.961 4.384 ( -2.518 6.808 0.000) 7.258 4.444 ( 0.545 4.743 0.000) 4.775 4.496 ( 1.197 6.359 0.000) 6.471 4.646 ( 2.445 2.516 0.000) 3.509 4.749 ( -2.030 1.051 0.000) 2.286 4.963 ( -4.493 -3.339 0.000) 5.598 5.047 ( -12.432 -7.192 0.000) 14.362 5.052 ( 3.242 3.285 0.000) 4.615 5.348 ( -0.628 -6.404 0.000) 6.435 5.431 ( -2.317 -9.993 0.000) 10.259 5.536 ( 1.038 2.161 0.000) 2.397 5.586 ( 1.442 0.820 0.000) 1.659 5.597 ( -0.431 5.467 0.000) 5.484 5.686 ( 1.992 2.413 0.000) 3.129 5.872 ( 11.825 4.262 0.000) 12.570 5.997 ( -6.031 -8.459 0.000) 10.389 6.411 ( -0.806 5.139 0.000) 5.202 6.903 ( -5.566 0.920 0.000) 5.641 6.949 ( -2.850 -11.540 0.000) 11.887 7.122 ( 5.887 1.607 0.000) 6.103 7.174 ( 3.175 -3.357 0.000) 4.621 7.417 ( 0.597 0.513 0.000) 0.787 7.983 ( -5.593 5.907 0.000) 8.135 8.096 ( 3.434 2.108 0.000) 4.029 8.312 ( -10.132 11.321 0.000) 15.193 8.627 ( -9.875 -7.909 0.000) 12.651 8.676 ( 5.518 18.626 0.000) 19.426 8.815 ( -9.198 -3.693 0.000) 9.911 8.935 ( -1.080 -5.970 0.000) 6.067 9.242 ( -2.439 0.328 0.000) 2.461 9.340 ( -12.505 -3.470 0.000) 12.977 9.484 ( -6.417 -4.929 0.000) 8.091 9.642 ( 3.555 1.144 0.000) 3.735 9.722 ( -2.713 8.275 0.000) 8.708 9.874 ( -1.849 0.434 0.000) 1.900 10.044 ( 1.028 -0.097 0.000) 1.032 10.813 ( 2.730 3.863 0.000) 4.730 10.869 ( 6.236 0.563 0.000) 6.261 10.904 ( 1.634 4.682 0.000) 4.959 11.489 ( -1.681 -10.056 0.000) 10.195 11.545 ( 3.042 8.402 0.000) 8.935 11.779 ( 7.128 -1.016 0.000) 7.200 12.184 ( -2.496 -2.168 0.000) 3.306 12.267 ( 5.717 8.031 0.000) 9.858 12.315 ( 19.559 -18.030 0.000) 26.601 12.728 ( -1.432 3.393 0.000) 3.683 12.848 ( -7.981 0.174 0.000) 7.983 12.932 ( 1.125 -3.356 0.000) 3.539 13.010 ( 4.923 -1.077 0.000) 5.039 13.155 ( -4.618 0.478 0.000) 4.643 13.256 ( 6.903 -2.111 0.000) 7.218 13.305 ( -2.761 -2.789 0.000) 3.924 13.410 ( 5.428 -0.990 0.000) 5.518 13.513 ( 12.364 -13.374 0.000) 18.213 14.626 ( 4.560 -1.126 0.000) 4.697 14.665 ( 2.021 -1.027 0.000) 2.267 14.840 ( -2.543 7.174 0.000) 7.611 15.174 ( -8.517 -1.990 0.000) 8.746 15.560 ( 8.451 -0.223 0.000) 8.454 16.064 ( 23.065 -35.814 0.000) 42.598 16.575 ( 9.195 -3.093 0.000) 9.702 16.915 ( -0.908 -5.600 0.000) 5.673 21.935 ( 3.489 -1.072 0.000) 3.650 22.122 ( -4.253 3.246 0.000) 5.350 22.493 ( -8.585 10.294 0.000) 13.404 22.758 ( -4.268 4.002 0.000) 5.851 22.900 ( -7.664 -3.153 0.000) 8.287 23.181 ( 1.068 -4.847 0.000) 4.963 23.622 ( -8.745 14.570 0.000) 16.993 23.708 ( -4.477 -1.690 0.000) 4.785 23.845 ( 1.734 3.878 0.000) 4.248 24.125 ( -1.641 -6.708 0.000) 6.906 24.863 ( 11.396 -4.603 0.000) 12.291 24.940 ( 2.631 -1.139 0.000) 2.867 25.158 ( 2.965 1.475 0.000) 3.312 25.259 ( 1.891 -0.987 0.000) 2.133 25.713 ( -17.932 17.837 0.000) 25.293 25.989 ( -6.300 -0.425 0.000) 6.315 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 26.347 8.216 0.000) 27.598 1.350 ( 21.300 5.653 0.000) 22.038 1.978 ( 19.826 -2.020 0.000) 19.928 2.239 ( 23.885 14.190 0.000) 27.782 2.337 ( 9.239 -1.096 0.000) 9.304 2.510 ( 19.009 -2.500 0.000) 19.173 2.562 ( 3.479 0.663 0.000) 3.541 2.727 ( -0.756 -4.531 0.000) 4.594 2.773 ( -2.648 -5.247 0.000) 5.877 3.043 ( -4.405 -8.542 0.000) 9.611 3.222 ( -4.118 -4.724 0.000) 6.267 3.279 ( -5.749 1.629 0.000) 5.975 3.370 ( -2.180 2.803 0.000) 3.551 3.564 ( -4.594 0.035 0.000) 4.594 3.891 ( 4.675 -0.399 0.000) 4.692 3.974 ( 12.377 -12.176 0.000) 17.362 4.199 ( -2.523 11.706 0.000) 11.975 4.205 ( -2.899 6.451 0.000) 7.073 4.326 ( -3.617 9.006 0.000) 9.705 4.470 ( -1.608 0.787 0.000) 1.790 4.529 ( 1.922 2.175 0.000) 2.902 4.653 ( -4.321 -0.496 0.000) 4.349 4.662 ( -2.495 7.208 0.000) 7.627 4.799 ( -10.972 1.104 0.000) 11.027 4.880 ( 2.282 -6.578 0.000) 6.962 5.216 ( 9.149 -2.633 0.000) 9.520 5.327 ( -0.949 -5.802 0.000) 5.879 5.392 ( -0.999 -11.464 0.000) 11.508 5.486 ( -1.582 3.765 0.000) 4.084 5.598 ( -1.297 1.294 0.000) 1.832 5.642 ( 0.432 0.584 0.000) 0.727 5.714 ( 1.469 6.477 0.000) 6.641 5.837 ( -8.126 -7.418 0.000) 11.003 6.114 ( 10.853 0.921 0.000) 10.892 6.378 ( -3.780 4.007 0.000) 5.508 6.798 ( -1.823 1.452 0.000) 2.331 6.804 ( -10.221 -7.621 0.000) 12.750 7.247 ( 1.569 -11.635 0.000) 11.741 7.279 ( 8.574 1.346 0.000) 8.679 7.475 ( 4.459 5.413 0.000) 7.013 7.827 ( -6.997 6.826 0.000) 9.776 8.138 ( -5.967 9.907 0.000) 11.565 8.207 ( 7.199 -4.101 0.000) 8.285 8.367 ( -14.552 -6.390 0.000) 15.894 8.570 ( -13.628 1.689 0.000) 13.732 8.774 ( 3.752 16.955 0.000) 17.365 8.869 ( -9.314 3.735 0.000) 10.035 8.953 ( -10.484 -18.121 0.000) 20.935 9.195 ( -0.729 0.844 0.000) 1.115 9.501 ( -0.961 4.899 0.000) 4.992 9.735 ( 4.684 -0.073 0.000) 4.685 9.742 ( 1.237 -1.972 0.000) 2.328 9.902 ( 3.661 3.939 0.000) 5.378 10.068 ( 0.520 -1.738 0.000) 1.815 10.883 ( 2.839 0.587 0.000) 2.899 10.968 ( 2.310 0.069 0.000) 2.311 10.987 ( 7.028 -2.651 0.000) 7.511 11.449 ( -2.529 -13.059 0.000) 13.302 11.621 ( 4.024 8.178 0.000) 9.114 11.910 ( 1.217 0.480 0.000) 1.308 12.158 ( 3.969 5.461 0.000) 6.751 12.433 ( 9.665 7.814 0.000) 12.428 12.502 ( 3.302 -4.429 0.000) 5.524 12.707 ( -1.054 4.221 0.000) 4.350 12.727 ( -3.294 1.075 0.000) 3.465 12.947 ( -0.118 -6.529 0.000) 6.530 13.061 ( -3.871 0.678 0.000) 3.930 13.156 ( 6.388 -0.773 0.000) 6.434 13.216 ( -2.921 -0.559 0.000) 2.974 13.360 ( 2.969 -3.440 0.000) 4.544 13.504 ( -7.354 0.431 0.000) 7.366 13.508 ( 2.849 -0.220 0.000) 2.857 14.718 ( 2.886 -2.416 0.000) 3.764 14.762 ( 6.825 -1.535 0.000) 6.996 14.835 ( 0.612 3.567 0.000) 3.619 15.028 ( -5.122 0.900 0.000) 5.200 15.733 ( 8.314 0.553 0.000) 8.333 16.206 ( -2.215 -12.652 0.000) 12.845 16.771 ( 5.913 -16.242 0.000) 17.285 16.889 ( -1.515 -6.849 0.000) 7.015 21.998 ( -5.733 9.529 0.000) 11.121 22.014 ( 2.577 -1.838 0.000) 3.165 22.315 ( -5.977 10.430 0.000) 12.021 22.633 ( -6.483 1.435 0.000) 6.640 22.888 ( 3.825 -11.839 0.000) 12.442 23.179 ( -1.597 -7.865 0.000) 8.025 23.544 ( -1.042 12.364 0.000) 12.408 23.619 ( -3.702 0.654 0.000) 3.760 23.879 ( 1.854 3.141 0.000) 3.647 24.069 ( -3.366 -4.364 0.000) 5.512 25.005 ( 3.225 -0.208 0.000) 3.231 25.031 ( 5.276 -3.104 0.000) 6.121 25.238 ( 4.752 1.456 0.000) 4.969 25.306 ( 2.424 -0.459 0.000) 2.467 25.481 ( -6.015 10.426 0.000) 12.037 25.812 ( -10.098 -1.467 0.000) 10.204 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 19.575 1.303 0.000) 19.618 1.883 ( 22.543 1.855 0.000) 22.619 2.180 ( -10.034 -4.020 0.000) 10.809 2.325 ( -11.553 5.216 0.000) 12.675 2.380 ( 9.362 -2.779 0.000) 9.765 2.594 ( -9.260 -16.061 0.000) 18.539 2.737 ( 9.320 3.163 0.000) 9.842 2.800 ( 2.898 -7.528 0.000) 8.067 2.955 ( 13.581 -0.544 0.000) 13.591 3.080 ( 4.588 5.909 0.000) 7.481 3.152 ( -1.509 -1.729 0.000) 2.295 3.191 ( -2.492 2.664 0.000) 3.648 3.380 ( 2.558 5.603 0.000) 6.159 3.455 ( -4.753 5.872 0.000) 7.555 3.988 ( 4.097 4.813 0.000) 6.320 4.092 ( -4.882 2.584 0.000) 5.523 4.176 ( 3.549 -2.007 0.000) 4.077 4.185 ( 3.915 6.646 0.000) 7.713 4.241 ( -3.260 5.405 0.000) 6.312 4.360 ( -8.760 -1.573 0.000) 8.900 4.546 ( -0.505 1.394 0.000) 1.483 4.568 ( -4.331 3.333 0.000) 5.465 4.601 ( -1.032 0.388 0.000) 1.102 4.607 ( -3.306 5.595 0.000) 6.499 5.094 ( 13.252 -4.333 0.000) 13.943 5.329 ( -7.385 -8.707 0.000) 11.417 5.333 ( 1.892 -5.386 0.000) 5.709 5.351 ( 2.863 -3.852 0.000) 4.799 5.508 ( 3.232 1.089 0.000) 3.410 5.525 ( -2.377 3.257 0.000) 4.032 5.592 ( -3.970 -0.321 0.000) 3.983 5.642 ( -7.096 -6.348 0.000) 9.521 5.891 ( 12.378 5.156 0.000) 13.409 6.178 ( -12.593 2.450 0.000) 12.829 6.343 ( 9.580 -2.278 0.000) 9.847 6.567 ( -11.513 -5.116 0.000) 12.598 6.905 ( 10.833 1.115 0.000) 10.890 7.154 ( -10.497 -5.060 0.000) 11.653 7.453 ( 7.365 0.801 0.000) 7.409 7.538 ( 0.251 2.459 0.000) 2.471 7.811 ( 6.015 -0.441 0.000) 6.032 8.046 ( -14.954 -4.181 0.000) 15.527 8.103 ( 3.952 10.671 0.000) 11.379 8.288 ( -12.265 6.858 0.000) 14.052 8.387 ( 9.792 -9.344 0.000) 13.535 8.611 ( -11.702 -10.189 0.000) 15.516 8.828 ( 1.671 6.049 0.000) 6.275 8.865 ( -2.306 -4.146 0.000) 4.744 9.247 ( 5.618 8.560 0.000) 10.239 9.395 ( -7.479 12.318 0.000) 14.410 9.799 ( 2.718 -3.091 0.000) 4.116 9.810 ( 1.871 -0.794 0.000) 2.032 9.978 ( 3.532 2.349 0.000) 4.242 10.046 ( -2.570 -0.719 0.000) 2.668 10.930 ( 2.064 0.871 0.000) 2.240 10.970 ( -1.439 0.090 0.000) 1.441 11.175 ( 9.870 -12.026 0.000) 15.558 11.357 ( -6.756 -15.569 0.000) 16.971 11.710 ( 4.607 8.100 0.000) 9.319 11.822 ( -6.122 5.867 0.000) 8.479 12.351 ( 10.556 5.602 0.000) 11.950 12.505 ( -3.341 0.071 0.000) 3.342 12.618 ( 5.148 -1.124 0.000) 5.270 12.672 ( -2.089 3.491 0.000) 4.068 12.732 ( 5.485 7.872 0.000) 9.594 12.884 ( -6.113 -2.048 0.000) 6.447 13.017 ( 0.358 1.008 0.000) 1.070 13.091 ( -5.690 1.968 0.000) 6.020 13.353 ( 7.981 -1.921 0.000) 8.209 13.385 ( -0.268 -3.255 0.000) 3.266 13.387 ( -1.476 0.732 0.000) 1.647 13.495 ( -4.198 -1.056 0.000) 4.329 14.781 ( 3.008 -1.491 0.000) 3.357 14.829 ( -1.170 1.241 0.000) 1.705 14.883 ( 4.214 0.873 0.000) 4.304 14.952 ( -2.802 2.520 0.000) 3.768 15.914 ( 8.970 0.006 0.000) 8.970 16.094 ( -7.668 -3.552 0.000) 8.451 16.834 ( 1.292 -12.863 0.000) 12.928 16.858 ( -1.326 -9.414 0.000) 9.507 21.932 ( -0.225 6.385 0.000) 6.389 21.981 ( -4.086 2.165 0.000) 4.624 22.330 ( 6.081 6.631 0.000) 8.997 22.484 ( -7.691 3.464 0.000) 8.435 22.997 ( 5.829 -13.805 0.000) 14.985 23.111 ( -4.710 -11.894 0.000) 12.792 23.540 ( 0.423 9.605 0.000) 9.615 23.562 ( -1.773 5.825 0.000) 6.089 23.928 ( 2.832 0.524 0.000) 2.880 23.995 ( -3.492 -2.087 0.000) 4.068 25.064 ( 2.255 0.481 0.000) 2.306 25.088 ( 0.368 -0.125 0.000) 0.388 25.353 ( 1.912 0.534 0.000) 1.985 25.361 ( 4.943 0.510 0.000) 4.969 25.418 ( 1.264 2.932 0.000) 3.193 25.590 ( -10.633 -1.331 0.000) 10.716 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 0.000 21.623 0.000) 21.623 1.117 ( 0.000 22.035 0.000) 22.035 1.465 ( 0.000 -8.363 0.000) 8.363 1.612 ( 0.000 -15.650 0.000) 15.650 2.029 ( 0.000 45.415 0.000) 45.415 2.087 ( 0.000 -1.163 0.000) 1.163 2.108 ( 0.000 -2.058 0.000) 2.058 2.725 ( 0.000 0.453 0.000) 0.453 2.782 ( 0.000 -6.045 0.000) 6.045 2.787 ( 0.000 -33.020 0.000) 33.020 3.176 ( 0.000 4.651 0.000) 4.651 3.369 ( 0.000 -13.003 0.000) 13.003 3.402 ( 0.000 12.243 0.000) 12.243 3.511 ( 0.000 -0.179 0.000) 0.179 3.654 ( 0.000 -0.720 0.000) 0.720 3.755 ( 0.000 -8.750 0.000) 8.750 4.200 ( 0.000 6.092 0.000) 6.092 4.290 ( 0.000 -1.533 0.000) 1.533 4.535 ( 0.000 3.708 0.000) 3.708 4.559 ( 0.000 1.127 0.000) 1.127 4.604 ( 0.000 5.227 0.000) 5.227 4.607 ( 0.000 4.586 0.000) 4.586 4.761 ( 0.000 4.080 0.000) 4.080 4.879 ( 0.000 -7.724 0.000) 7.724 5.154 ( 0.000 0.473 0.000) 0.473 5.187 ( 0.000 0.016 0.000) 0.016 5.192 ( 0.000 -5.253 0.000) 5.253 5.220 ( 0.000 -8.954 0.000) 8.954 5.497 ( 0.000 2.125 0.000) 2.125 5.537 ( 0.000 -1.867 0.000) 1.867 5.760 ( 0.000 7.450 0.000) 7.450 5.793 ( 0.000 6.457 0.000) 6.457 5.823 ( 0.000 2.735 0.000) 2.735 5.920 ( 0.000 -6.802 0.000) 6.802 6.513 ( 0.000 5.422 0.000) 5.422 6.684 ( 0.000 -12.595 0.000) 12.595 7.031 ( 0.000 4.202 0.000) 4.202 7.118 ( 0.000 6.096 0.000) 6.096 7.125 ( 0.000 -4.781 0.000) 4.781 7.270 ( 0.000 -8.949 0.000) 8.949 8.244 ( 0.000 14.916 0.000) 14.916 8.293 ( 0.000 16.326 0.000) 16.326 8.536 ( 0.000 -13.945 0.000) 13.945 8.616 ( 0.000 -16.104 0.000) 16.104 8.753 ( 0.000 11.563 0.000) 11.563 8.895 ( 0.000 17.125 0.000) 17.125 8.923 ( 0.000 -6.080 0.000) 6.080 9.180 ( 0.000 -11.866 0.000) 11.866 9.279 ( 0.000 1.711 0.000) 1.711 9.349 ( 0.000 -5.927 0.000) 5.927 9.664 ( 0.000 4.648 0.000) 4.648 9.776 ( 0.000 -6.472 0.000) 6.472 10.133 ( 0.000 6.626 0.000) 6.626 10.294 ( 0.000 -10.105 0.000) 10.105 10.769 ( 0.000 -0.535 0.000) 0.535 10.771 ( 0.000 -0.617 0.000) 0.617 11.163 ( 0.000 9.275 0.000) 9.275 11.339 ( 0.000 -9.204 0.000) 9.204 11.435 ( 0.000 8.756 0.000) 8.756 11.587 ( 0.000 -6.908 0.000) 6.908 11.757 ( 0.000 13.979 0.000) 13.979 12.020 ( 0.000 -12.547 0.000) 12.547 12.422 ( 0.000 11.560 0.000) 11.560 12.623 ( 0.000 -9.008 0.000) 9.008 12.964 ( 0.000 3.037 0.000) 3.037 13.006 ( 0.000 0.701 0.000) 0.701 13.010 ( 0.000 0.292 0.000) 0.292 13.038 ( 0.000 -4.285 0.000) 4.285 13.169 ( 0.000 5.660 0.000) 5.660 13.267 ( 0.000 -4.340 0.000) 4.340 13.277 ( 0.000 2.729 0.000) 2.729 13.330 ( 0.000 -2.577 0.000) 2.577 14.615 ( 0.000 1.043 0.000) 1.043 14.632 ( 0.000 -0.738 0.000) 0.738 15.080 ( 0.000 7.029 0.000) 7.029 15.221 ( 0.000 -7.186 0.000) 7.186 15.422 ( 0.000 1.311 0.000) 1.311 15.449 ( 0.000 -1.408 0.000) 1.408 16.624 ( 0.000 8.061 0.000) 8.061 16.788 ( 0.000 -8.405 0.000) 8.405 21.917 ( 0.000 3.400 0.000) 3.400 22.021 ( 0.000 -6.911 0.000) 6.911 22.828 ( 0.000 11.877 0.000) 11.877 22.907 ( 0.000 7.140 0.000) 7.140 23.008 ( 0.000 -6.111 0.000) 6.111 23.049 ( 0.000 -7.075 0.000) 7.075 23.823 ( 0.000 2.418 0.000) 2.418 23.831 ( 0.000 2.898 0.000) 2.898 23.873 ( 0.000 -2.565 0.000) 2.565 23.929 ( 0.000 -7.478 0.000) 7.478 24.767 ( 0.000 6.043 0.000) 6.043 24.860 ( 0.000 -3.659 0.000) 3.659 25.163 ( 0.000 2.270 0.000) 2.270 25.206 ( 0.000 -2.055 0.000) 2.055 26.065 ( 0.000 0.512 0.000) 0.512 26.076 ( 0.000 -0.547 0.000) 0.547 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 11.898 14.863 0.000) 19.039 1.235 ( 10.562 16.403 0.000) 19.510 1.621 ( 13.081 -3.128 0.000) 13.450 1.791 ( 15.979 -14.769 0.000) 21.759 2.199 ( 15.054 22.368 0.000) 26.962 2.244 ( 11.255 -0.972 0.000) 11.297 2.271 ( 14.871 10.878 0.000) 18.425 2.737 ( -0.395 -1.604 0.000) 1.651 2.781 ( -2.729 -5.369 0.000) 6.023 2.818 ( 3.561 -23.258 0.000) 23.529 3.183 ( 0.216 3.525 0.000) 3.531 3.344 ( -2.087 -8.153 0.000) 8.416 3.498 ( -1.483 3.360 0.000) 3.673 3.536 ( 11.345 3.592 0.000) 11.900 3.611 ( -3.191 -1.355 0.000) 3.467 3.751 ( 1.302 -7.944 0.000) 8.050 4.268 ( 4.970 4.066 0.000) 6.421 4.316 ( 1.576 0.351 0.000) 1.614 4.515 ( -0.098 5.347 0.000) 5.348 4.537 ( 0.197 3.274 0.000) 3.280 4.623 ( -0.574 5.697 0.000) 5.726 4.677 ( 3.620 0.715 0.000) 3.690 4.781 ( -0.261 2.040 0.000) 2.056 4.844 ( -4.418 -6.424 0.000) 7.797 4.972 ( -9.506 -0.823 0.000) 9.541 5.022 ( -6.536 -5.644 0.000) 8.635 5.239 ( 0.243 -3.300 0.000) 3.309 5.259 ( -0.721 -5.281 0.000) 5.330 5.569 ( 3.986 1.534 0.000) 4.271 5.590 ( 3.213 -0.513 0.000) 3.254 5.720 ( -4.826 6.635 0.000) 8.204 5.806 ( 3.384 7.681 0.000) 8.393 5.853 ( -5.339 -5.719 0.000) 7.823 5.922 ( 7.252 -0.975 0.000) 7.317 6.514 ( -0.312 6.246 0.000) 6.254 6.696 ( 0.011 -12.614 0.000) 12.614 6.952 ( -5.610 4.423 0.000) 7.144 7.066 ( -4.015 -6.849 0.000) 7.939 7.196 ( 6.031 6.213 0.000) 8.659 7.338 ( 5.530 -7.424 0.000) 9.257 8.175 ( -5.995 12.599 0.000) 13.953 8.302 ( -0.160 17.269 0.000) 17.270 8.424 ( -8.360 -12.483 0.000) 15.023 8.551 ( -11.627 11.890 0.000) 16.630 8.648 ( -0.217 -15.867 0.000) 15.869 8.750 ( -10.629 -9.398 0.000) 14.188 9.021 ( 6.328 16.478 0.000) 17.651 9.256 ( -4.017 1.301 0.000) 4.222 9.272 ( 3.368 -5.899 0.000) 6.793 9.317 ( -7.617 -8.571 0.000) 11.467 9.681 ( 1.691 2.937 0.000) 3.389 9.748 ( -2.065 -3.371 0.000) 3.953 9.964 ( -7.880 5.427 0.000) 9.568 10.030 ( -3.833 -1.728 0.000) 4.204 10.885 ( 6.289 0.888 0.000) 6.352 10.886 ( 3.654 1.567 0.000) 3.976 11.041 ( -4.014 10.530 0.000) 11.269 11.269 ( -4.179 -12.204 0.000) 12.900 11.740 ( 3.255 9.841 0.000) 10.365 11.787 ( 12.868 1.953 0.000) 13.015 12.004 ( 25.230 -10.510 0.000) 27.332 12.035 ( 2.676 -9.413 0.000) 9.786 12.504 ( 7.236 12.816 0.000) 14.718 12.707 ( 5.386 -6.673 0.000) 8.575 12.849 ( -7.182 -0.069 0.000) 7.182 12.862 ( -2.476 -2.448 0.000) 3.482 13.043 ( 0.494 4.506 0.000) 4.533 13.131 ( -0.978 -3.635 0.000) 3.764 13.234 ( 1.858 0.515 0.000) 1.928 13.259 ( 0.238 -1.756 0.000) 1.772 13.388 ( 6.973 -0.964 0.000) 7.040 13.390 ( 9.177 -1.838 0.000) 9.359 14.622 ( 1.551 0.542 0.000) 1.643 14.641 ( 0.950 -1.273 0.000) 1.589 14.983 ( -4.525 7.342 0.000) 8.624 15.106 ( -6.240 -5.120 0.000) 8.072 15.571 ( 9.681 1.913 0.000) 9.868 15.666 ( 14.397 -9.503 0.000) 17.251 16.636 ( 0.886 6.194 0.000) 6.257 16.778 ( -1.064 -7.969 0.000) 8.039 21.957 ( 3.520 3.603 0.000) 5.037 22.060 ( 2.975 -6.194 0.000) 6.872 22.698 ( -10.157 9.535 0.000) 13.932 22.812 ( -10.628 -1.186 0.000) 10.694 22.922 ( -4.488 5.221 0.000) 6.885 23.057 ( -0.693 -7.501 0.000) 7.533 23.698 ( -4.944 0.807 0.000) 5.009 23.725 ( -5.747 -0.632 0.000) 5.781 23.921 ( 2.432 4.014 0.000) 4.693 24.005 ( 1.228 -5.075 0.000) 5.222 24.860 ( 7.006 2.229 0.000) 7.352 24.907 ( 3.984 -2.266 0.000) 4.583 25.193 ( 2.744 2.067 0.000) 3.435 25.232 ( 2.310 -1.799 0.000) 2.928 25.913 ( -12.534 5.264 0.000) 13.595 25.972 ( -8.202 -1.551 0.000) 8.347 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( 15.522 7.142 0.000) 17.086 1.528 ( 16.754 6.011 0.000) 17.800 1.921 ( 13.699 2.514 0.000) 13.928 2.161 ( 15.441 -17.104 0.000) 23.043 2.463 ( 6.467 1.023 0.000) 6.547 2.517 ( 12.496 -2.994 0.000) 12.849 2.595 ( 1.076 12.643 0.000) 12.689 2.679 ( -3.908 -2.765 0.000) 4.787 2.709 ( 10.248 6.849 0.000) 12.326 2.953 ( 9.316 -9.003 0.000) 12.955 3.173 ( -0.930 3.399 0.000) 3.523 3.276 ( -3.483 -3.738 0.000) 5.109 3.457 ( -1.344 5.989 0.000) 6.138 3.554 ( -2.034 -2.198 0.000) 2.995 3.807 ( 12.908 -2.711 0.000) 13.190 3.850 ( 7.454 -3.737 0.000) 8.338 4.323 ( -1.607 3.372 0.000) 3.736 4.326 ( -1.050 3.992 0.000) 4.128 4.501 ( -6.137 3.203 0.000) 6.922 4.543 ( -1.331 8.682 0.000) 8.783 4.570 ( 0.027 -0.213 0.000) 0.215 4.671 ( -6.539 4.787 0.000) 8.104 4.695 ( -4.962 -6.146 0.000) 7.899 4.769 ( 3.421 -3.185 0.000) 4.674 4.849 ( -1.930 5.595 0.000) 5.918 5.042 ( 4.850 -13.601 0.000) 14.440 5.234 ( -0.115 -2.598 0.000) 2.600 5.241 ( 0.322 -3.016 0.000) 3.033 5.565 ( -3.295 4.124 0.000) 5.278 5.615 ( -0.862 -0.200 0.000) 0.885 5.655 ( -1.942 0.711 0.000) 2.068 5.694 ( -8.210 -4.478 0.000) 9.351 5.907 ( 4.992 10.730 0.000) 11.835 6.083 ( 7.560 -5.662 0.000) 9.445 6.462 ( -6.068 5.852 0.000) 8.430 6.623 ( -7.541 -10.057 0.000) 12.571 6.867 ( -0.343 6.000 0.000) 6.009 7.026 ( 0.762 -10.322 0.000) 10.350 7.346 ( 7.855 5.759 0.000) 9.740 7.470 ( 6.211 -5.461 0.000) 8.271 8.006 ( -9.066 10.980 0.000) 14.239 8.211 ( -11.624 -9.732 0.000) 15.160 8.283 ( -1.240 12.566 0.000) 12.627 8.363 ( -6.161 10.571 0.000) 12.235 8.526 ( -8.348 -6.174 0.000) 10.383 8.598 ( -8.019 -18.142 0.000) 19.835 8.968 ( -13.050 4.965 0.000) 13.962 8.999 ( -8.098 3.926 0.000) 9.000 9.270 ( 7.701 8.414 0.000) 11.406 9.449 ( 7.904 -7.878 0.000) 11.160 9.739 ( 3.357 0.539 0.000) 3.400 9.746 ( 0.234 0.332 0.000) 0.406 9.972 ( 3.439 3.025 0.000) 4.580 10.024 ( 1.326 -2.635 0.000) 2.950 10.922 ( 0.726 3.740 0.000) 3.810 10.963 ( 1.484 -0.743 0.000) 1.660 10.998 ( -0.400 4.281 0.000) 4.300 11.183 ( -4.270 -13.349 0.000) 14.015 11.790 ( 2.339 8.584 0.000) 8.897 11.911 ( 0.173 -2.763 0.000) 2.769 12.216 ( 12.307 4.708 0.000) 13.176 12.370 ( 10.875 -9.279 0.000) 14.295 12.628 ( 0.732 7.420 0.000) 7.456 12.702 ( -3.034 -2.682 0.000) 4.049 12.792 ( 4.530 7.461 0.000) 8.729 12.915 ( 2.263 -0.808 0.000) 2.403 13.071 ( -2.888 0.224 0.000) 2.897 13.100 ( 6.353 -4.215 0.000) 7.624 13.211 ( -3.013 1.390 0.000) 3.318 13.276 ( 1.398 -4.740 0.000) 4.942 13.504 ( 0.442 -0.171 0.000) 0.474 13.504 ( 1.105 -0.172 0.000) 1.118 14.687 ( 3.846 -0.265 0.000) 3.855 14.714 ( 6.916 -2.762 0.000) 7.447 14.930 ( -1.426 5.566 0.000) 5.746 15.015 ( -2.789 -2.639 0.000) 3.840 15.766 ( 8.741 3.598 0.000) 9.452 15.913 ( 8.248 -12.741 0.000) 15.178 16.646 ( -0.158 1.080 0.000) 1.091 16.739 ( -2.686 -7.471 0.000) 7.939 22.033 ( 2.635 3.281 0.000) 4.208 22.091 ( -1.080 -0.644 0.000) 1.257 22.497 ( -6.940 7.629 0.000) 10.313 22.601 ( -6.210 -3.923 0.000) 7.346 22.842 ( -3.319 5.444 0.000) 6.376 23.001 ( -4.382 -9.767 0.000) 10.705 23.639 ( -0.949 1.600 0.000) 1.860 23.662 ( -1.190 0.713 0.000) 1.387 23.943 ( 0.127 3.006 0.000) 3.008 23.994 ( -1.480 -2.872 0.000) 3.231 24.999 ( 5.774 -0.483 0.000) 5.794 25.000 ( 4.393 -0.273 0.000) 4.401 25.267 ( 4.108 1.481 0.000) 4.367 25.292 ( 3.237 -1.065 0.000) 3.408 25.660 ( -10.603 7.410 0.000) 12.935 25.764 ( -10.766 -3.709 0.000) 11.387 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 16.126 3.617 0.000) 16.527 1.897 ( 17.220 -1.975 0.000) 17.333 2.082 ( -2.194 -0.062 0.000) 2.195 2.229 ( -10.210 -13.048 0.000) 16.568 2.475 ( -1.032 8.707 0.000) 8.768 2.518 ( 0.458 7.663 0.000) 7.677 2.650 ( 1.345 -8.390 0.000) 8.497 2.676 ( 2.019 -7.121 0.000) 7.401 3.012 ( 9.289 4.840 0.000) 10.474 3.096 ( 0.057 -3.466 0.000) 3.466 3.207 ( 5.503 4.992 0.000) 7.430 3.243 ( 0.606 1.281 0.000) 1.417 3.474 ( 2.613 4.424 0.000) 5.138 3.524 ( -1.434 0.350 0.000) 1.476 3.995 ( 4.542 -1.189 0.000) 4.695 4.009 ( 4.399 -3.553 0.000) 5.654 4.240 ( -2.278 0.968 0.000) 2.475 4.254 ( -3.083 0.116 0.000) 3.085 4.414 ( -1.269 8.664 0.000) 8.756 4.463 ( -4.963 8.436 0.000) 9.788 4.573 ( -1.059 1.400 0.000) 1.756 4.597 ( -3.571 -0.214 0.000) 3.578 4.634 ( 2.384 4.247 0.000) 4.870 4.704 ( -4.604 2.022 0.000) 5.028 4.995 ( 8.915 -3.498 0.000) 9.577 5.101 ( -0.531 -12.599 0.000) 12.610 5.251 ( 1.854 -1.686 0.000) 2.506 5.275 ( 1.053 -3.418 0.000) 3.577 5.521 ( -0.728 0.376 0.000) 0.819 5.543 ( -4.410 -2.307 0.000) 4.977 5.584 ( -1.507 1.338 0.000) 2.015 5.594 ( -2.860 0.266 0.000) 2.872 6.036 ( 8.121 9.572 0.000) 12.553 6.222 ( 0.848 -7.179 0.000) 7.229 6.275 ( -4.896 4.896 0.000) 6.924 6.426 ( -9.811 -8.710 0.000) 13.120 6.948 ( 6.212 3.506 0.000) 7.133 7.041 ( -1.328 -5.907 0.000) 6.054 7.497 ( 5.776 3.455 0.000) 6.730 7.554 ( 0.888 -1.502 0.000) 1.745 7.876 ( -1.422 5.842 0.000) 6.013 7.974 ( -9.695 -3.937 0.000) 10.464 8.279 ( 1.711 2.533 0.000) 3.057 8.298 ( 0.325 5.067 0.000) 5.077 8.369 ( -6.328 0.347 0.000) 6.338 8.391 ( -8.708 -10.249 0.000) 13.449 8.839 ( -1.361 0.664 0.000) 1.515 8.865 ( -3.767 -0.953 0.000) 3.885 9.448 ( 7.943 9.949 0.000) 12.731 9.550 ( -0.181 1.409 0.000) 1.421 9.754 ( 1.611 -0.211 0.000) 1.625 9.784 ( 0.211 -1.916 0.000) 1.928 10.027 ( 1.450 1.968 0.000) 2.445 10.039 ( 0.033 0.060 0.000) 0.068 10.943 ( 1.325 0.495 0.000) 1.414 10.967 ( -0.748 -0.740 0.000) 1.052 11.016 ( 2.216 -2.585 0.000) 3.405 11.089 ( -4.436 -10.492 0.000) 11.391 11.840 ( 2.341 5.036 0.000) 5.553 11.886 ( -1.968 0.579 0.000) 2.051 12.435 ( 7.458 3.552 0.000) 8.261 12.496 ( 1.490 -1.912 0.000) 2.424 12.610 ( 0.067 0.515 0.000) 0.519 12.645 ( -2.414 -3.429 0.000) 4.193 12.906 ( 2.774 6.699 0.000) 7.250 12.925 ( -0.240 3.126 0.000) 3.136 13.061 ( 2.800 4.861 0.000) 5.610 13.133 ( -3.010 1.480 0.000) 3.354 13.277 ( 7.116 -4.425 0.000) 8.380 13.302 ( 1.602 -4.896 0.000) 5.152 13.419 ( -4.536 2.248 0.000) 5.062 13.463 ( -5.220 -2.151 0.000) 5.646 14.794 ( 5.555 2.776 0.000) 6.210 14.861 ( 6.169 -3.111 0.000) 6.909 14.888 ( -3.094 4.382 0.000) 5.364 14.960 ( -3.256 -2.050 0.000) 3.847 15.929 ( 6.368 1.970 0.000) 6.665 16.001 ( 0.138 -5.256 0.000) 5.258 16.640 ( 0.248 -4.639 0.000) 4.645 16.675 ( -2.934 -7.383 0.000) 7.945 22.039 ( -1.212 2.873 0.000) 3.118 22.041 ( -2.007 3.406 0.000) 3.953 22.461 ( 2.688 6.068 0.000) 6.637 22.533 ( -2.794 -0.202 0.000) 2.802 22.813 ( 1.498 -3.036 0.000) 3.385 22.894 ( -5.246 -9.419 0.000) 10.781 23.638 ( 0.408 2.242 0.000) 2.278 23.648 ( -0.483 1.793 0.000) 1.857 23.945 ( 0.358 0.995 0.000) 1.058 23.962 ( -1.311 -1.076 0.000) 1.696 25.075 ( 2.464 0.585 0.000) 2.533 25.084 ( 1.928 -0.315 0.000) 1.953 25.363 ( 3.546 0.393 0.000) 3.568 25.366 ( 5.235 0.056 0.000) 5.235 25.487 ( -5.480 3.769 0.000) 6.651 25.551 ( -9.060 -2.714 0.000) 9.458 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 0.000 28.284) 28.284 0.715 ( 0.000 0.000 33.722) 33.722 0.866 ( 0.000 0.000 38.792) 38.792 1.726 ( 0.000 0.000 11.534) 11.534 1.923 ( 0.000 0.000 10.493) 10.493 2.191 ( 0.000 0.000 -0.515) 0.515 2.266 ( 0.000 0.000 7.275) 7.275 2.738 ( 0.000 0.000 3.018) 3.018 3.047 ( 0.000 0.000 -1.925) 1.925 3.083 ( 0.000 0.000 1.975) 1.975 3.273 ( 0.000 0.000 -13.048) 13.048 3.460 ( 0.000 0.000 8.859) 8.859 3.566 ( 0.000 0.000 0.008) 0.008 3.732 ( 0.000 0.000 0.328) 0.328 3.795 ( 0.000 0.000 -0.284) 0.284 3.877 ( 0.000 0.000 10.684) 10.684 4.093 ( 0.000 0.000 -0.165) 0.165 4.099 ( 0.000 0.000 -2.002) 2.002 4.359 ( 0.000 0.000 1.005) 1.005 4.393 ( 0.000 0.000 -1.170) 1.170 4.443 ( 0.000 0.000 2.966) 2.966 4.586 ( 0.000 0.000 0.444) 0.444 4.771 ( 0.000 0.000 -3.349) 3.349 5.044 ( 0.000 0.000 0.948) 0.948 5.179 ( 0.000 0.000 -14.073) 14.073 5.186 ( 0.000 0.000 -5.338) 5.338 5.274 ( 0.000 0.000 -13.400) 13.400 5.373 ( 0.000 0.000 -5.006) 5.006 5.453 ( 0.000 0.000 -0.104) 0.104 5.521 ( 0.000 0.000 -1.693) 1.693 5.590 ( 0.000 0.000 2.680) 2.680 5.773 ( 0.000 0.000 8.107) 8.107 5.883 ( 0.000 0.000 13.456) 13.456 6.156 ( 0.000 0.000 1.213) 1.213 6.538 ( 0.000 0.000 13.518) 13.518 6.886 ( 0.000 0.000 -6.893) 6.893 7.034 ( 0.000 0.000 -1.218) 1.218 7.109 ( 0.000 0.000 3.450) 3.450 7.433 ( 0.000 0.000 -1.473) 1.473 7.489 ( 0.000 0.000 5.536) 5.536 7.991 ( 0.000 0.000 -2.528) 2.528 8.039 ( 0.000 0.000 -5.750) 5.750 8.173 ( 0.000 0.000 -10.002) 10.002 8.306 ( 0.000 0.000 -8.204) 8.204 8.758 ( 0.000 0.000 -8.733) 8.733 9.053 ( 0.000 0.000 8.476) 8.476 9.059 ( 0.000 0.000 6.771) 6.771 9.325 ( 0.000 0.000 -15.063) 15.063 9.373 ( 0.000 0.000 -1.084) 1.084 9.486 ( 0.000 0.000 15.064) 15.064 9.605 ( 0.000 0.000 1.651) 1.651 9.613 ( 0.000 0.000 2.633) 2.633 9.834 ( 0.000 0.000 -6.276) 6.276 9.956 ( 0.000 0.000 -4.183) 4.183 10.727 ( 0.000 0.000 -8.584) 8.584 10.769 ( 0.000 0.000 7.539) 7.539 10.825 ( 0.000 0.000 1.025) 1.025 11.227 ( 0.000 0.000 5.433) 5.433 11.428 ( 0.000 0.000 0.289) 0.289 11.671 ( 0.000 0.000 4.861) 4.861 11.722 ( 0.000 0.000 -0.079) 0.079 12.125 ( 0.000 0.000 4.297) 4.297 12.307 ( 0.000 0.000 1.615) 1.615 12.651 ( 0.000 0.000 0.340) 0.340 12.947 ( 0.000 0.000 -0.168) 0.168 12.960 ( 0.000 0.000 -1.808) 1.808 13.044 ( 0.000 0.000 7.765) 7.765 13.091 ( 0.000 0.000 -12.214) 12.214 13.136 ( 0.000 0.000 -0.513) 0.513 13.199 ( 0.000 0.000 -1.038) 1.038 13.666 ( 0.000 0.000 13.801) 13.801 14.549 ( 0.000 0.000 -3.678) 3.678 14.625 ( 0.000 0.000 -1.199) 1.199 14.636 ( 0.000 0.000 -5.183) 5.183 14.989 ( 0.000 0.000 5.298) 5.298 15.291 ( 0.000 0.000 -3.240) 3.240 15.315 ( 0.000 0.000 -7.127) 7.127 15.544 ( 0.000 0.000 13.534) 13.534 16.313 ( 0.000 0.000 -12.655) 12.655 18.101 ( 0.000 0.000 -13.235) 13.235 21.973 ( 0.000 0.000 -0.174) 0.174 22.202 ( 0.000 0.000 -4.402) 4.402 22.215 ( 0.000 0.000 -0.208) 0.208 22.515 ( 0.000 0.000 3.503) 3.503 22.813 ( 0.000 0.000 5.066) 5.066 22.881 ( 0.000 0.000 -11.877) 11.877 23.340 ( 0.000 0.000 8.679) 8.679 23.884 ( 0.000 0.000 9.520) 9.520 24.288 ( 0.000 0.000 4.922) 4.922 24.493 ( 0.000 0.000 -3.254) 3.254 24.574 ( 0.000 0.000 0.880) 0.880 24.924 ( 0.000 0.000 -0.137) 0.137 25.047 ( 0.000 0.000 -1.616) 1.616 25.096 ( 0.000 0.000 -1.209) 1.209 25.207 ( 0.000 0.000 -4.002) 4.002 25.948 ( 0.000 0.000 -9.870) 9.870 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 19.021 0.000 10.872) 21.909 0.874 ( 22.407 0.000 19.491) 29.698 1.390 ( 26.648 0.000 21.033) 33.949 1.825 ( 8.840 0.000 4.881) 10.098 2.127 ( 16.354 0.000 7.328) 17.921 2.328 ( 5.418 0.000 7.199) 9.010 2.396 ( 13.084 0.000 -2.654) 13.351 2.765 ( 2.489 0.000 2.147) 3.287 2.912 ( -7.108 0.000 -0.742) 7.146 3.265 ( 4.274 0.000 -6.418) 7.710 3.281 ( 0.239 0.000 -10.887) 10.890 3.411 ( -5.785 0.000 7.784) 9.698 3.513 ( -8.050 0.000 0.684) 8.079 3.759 ( -9.021 0.000 5.231) 10.428 3.813 ( 12.850 0.000 -0.894) 12.881 3.831 ( 2.331 0.000 -0.410) 2.367 4.063 ( -3.962 0.000 -1.109) 4.115 4.160 ( 3.381 0.000 0.957) 3.514 4.326 ( -3.485 0.000 -0.249) 3.494 4.418 ( 0.774 0.000 2.510) 2.627 4.420 ( 3.156 0.000 -1.396) 3.451 4.578 ( -1.848 0.000 -1.169) 2.187 4.716 ( -4.495 0.000 -1.891) 4.876 4.981 ( -5.634 0.000 0.176) 5.637 5.022 ( -8.294 0.000 -10.080) 13.053 5.183 ( 3.666 0.000 3.563) 5.113 5.332 ( 0.221 0.000 -6.453) 6.457 5.409 ( 0.617 0.000 -3.806) 3.856 5.472 ( 3.876 0.000 -2.617) 4.677 5.536 ( 1.958 0.000 -5.352) 5.699 5.578 ( -0.808 0.000 4.462) 4.534 5.798 ( -2.520 0.000 9.153) 9.493 5.919 ( 6.854 0.000 6.846) 9.687 6.130 ( -2.937 0.000 1.732) 3.410 6.505 ( -2.808 0.000 13.113) 13.410 6.820 ( -5.703 0.000 -7.274) 9.243 7.018 ( -3.843 0.000 -2.383) 4.522 7.152 ( 5.160 0.000 3.454) 6.209 7.332 ( -0.405 0.000 5.129) 5.145 7.444 ( -2.265 0.000 6.549) 6.930 7.881 ( -10.803 0.000 -8.130) 13.521 8.025 ( 1.817 0.000 -1.654) 2.457 8.157 ( -0.547 0.000 -11.376) 11.389 8.358 ( 3.791 0.000 -0.924) 3.902 8.749 ( -2.121 0.000 -1.491) 2.592 8.951 ( -9.031 0.000 7.422) 11.689 9.012 ( -3.829 0.000 7.285) 8.230 9.269 ( -8.128 0.000 2.621) 8.540 9.361 ( 0.494 0.000 -7.182) 7.199 9.432 ( -3.416 0.000 3.073) 4.595 9.639 ( 2.990 0.000 0.583) 3.046 9.717 ( 6.012 0.000 5.311) 8.022 9.786 ( -3.004 0.000 -7.309) 7.902 10.025 ( 3.116 0.000 -2.871) 4.237 10.737 ( 1.207 0.000 -9.211) 9.290 10.852 ( 2.269 0.000 -1.848) 2.927 10.865 ( 8.505 0.000 6.695) 10.824 11.469 ( 3.360 0.000 0.839) 3.463 11.654 ( -0.913 0.000 4.468) 4.560 11.797 ( 6.374 0.000 -0.104) 6.375 11.829 ( 30.142 0.000 -29.735) 42.340 12.125 ( -1.781 0.000 2.810) 3.327 12.316 ( 2.579 0.000 2.145) 3.354 12.629 ( -1.722 0.000 -1.741) 2.448 12.894 ( -4.356 0.000 -0.041) 4.356 12.942 ( -4.227 0.000 -6.255) 7.549 13.024 ( 1.422 0.000 1.599) 2.140 13.135 ( 3.906 0.000 -5.667) 6.883 13.160 ( 0.646 0.000 3.442) 3.503 13.274 ( 6.479 0.000 -2.852) 7.079 13.584 ( -6.178 0.000 10.068) 11.812 13.969 ( -28.025 0.000 5.912) 28.641 14.616 ( -0.128 0.000 0.441) 0.459 14.702 ( 5.146 0.000 -2.315) 5.643 14.835 ( 0.372 0.000 6.830) 6.840 15.212 ( -8.507 0.000 -0.886) 8.553 15.589 ( 4.082 0.000 3.762) 5.551 16.109 ( 31.946 0.000 -26.314) 41.388 16.316 ( -0.239 0.000 -8.840) 8.843 17.727 ( -22.884 0.000 7.262) 24.009 21.933 ( -3.198 0.000 0.046) 3.198 21.964 ( -1.110 0.000 0.328) 1.158 22.407 ( -8.879 0.000 2.610) 9.255 22.579 ( 2.994 0.000 -13.547) 13.874 22.941 ( 11.837 0.000 -1.261) 11.904 22.965 ( 6.453 0.000 -8.848) 10.951 23.335 ( -0.509 0.000 7.335) 7.353 23.892 ( 0.893 0.000 8.538) 8.584 24.105 ( -14.557 0.000 15.177) 21.030 24.257 ( -2.818 0.000 5.125) 5.849 24.950 ( 2.277 0.000 -0.050) 2.277 24.976 ( 12.172 0.000 -16.418) 20.438 25.061 ( 1.192 0.000 -1.323) 1.781 25.111 ( 2.455 0.000 -2.663) 3.622 25.261 ( 3.761 0.000 -3.578) 5.191 25.904 ( -4.843 0.000 -9.286) 10.473 ======================= Grid point 37 (15/60) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 29.042 0.000 -5.094) 29.485 1.401 ( 26.517 0.000 11.783) 29.017 1.938 ( 26.518 0.000 3.643) 26.768 2.057 ( 12.213 0.000 -6.350) 13.765 2.372 ( 2.979 0.000 -10.212) 10.638 2.455 ( 5.684 0.000 7.148) 9.133 2.663 ( 6.333 0.000 6.557) 9.116 2.816 ( 1.068 0.000 0.552) 1.202 2.863 ( 8.519 0.000 6.267) 10.576 3.187 ( -11.312 0.000 -0.262) 11.315 3.256 ( -3.070 0.000 -6.746) 7.412 3.295 ( -2.105 0.000 1.300) 2.474 3.360 ( -4.518 0.000 5.929) 7.454 3.524 ( -12.501 0.000 -2.489) 12.747 3.855 ( -1.721 0.000 -1.024) 2.003 3.993 ( 1.734 0.000 -1.314) 2.175 4.115 ( 13.023 0.000 -1.276) 13.085 4.178 ( -2.603 0.000 2.340) 3.500 4.235 ( -4.570 0.000 -1.935) 4.963 4.443 ( -3.845 0.000 -3.168) 4.981 4.495 ( 2.413 0.000 -3.558) 4.299 4.516 ( -1.404 0.000 -1.239) 1.873 4.639 ( -2.214 0.000 -1.333) 2.584 4.803 ( -10.186 0.000 1.835) 10.350 4.957 ( 4.565 0.000 0.222) 4.570 5.274 ( 2.153 0.000 0.982) 2.366 5.318 ( -0.067 0.000 -3.641) 3.642 5.494 ( 7.456 0.000 -4.507) 8.712 5.548 ( -2.314 0.000 -3.195) 3.945 5.563 ( 5.107 0.000 -2.837) 5.842 5.578 ( 1.931 0.000 9.629) 9.820 5.679 ( -7.363 0.000 6.760) 9.996 6.028 ( -6.755 0.000 4.725) 8.243 6.114 ( 10.334 0.000 1.049) 10.387 6.431 ( -6.173 0.000 9.688) 11.487 6.707 ( -1.672 0.000 -7.039) 7.235 6.843 ( -11.920 0.000 -3.680) 12.475 7.308 ( 8.944 0.000 2.862) 9.390 7.347 ( -4.515 0.000 -4.501) 6.375 7.482 ( 6.104 0.000 8.956) 10.839 7.729 ( 1.229 0.000 -0.589) 1.363 7.969 ( -5.929 0.000 -4.255) 7.298 8.216 ( 3.220 0.000 -9.241) 9.786 8.450 ( 4.825 0.000 1.668) 5.105 8.598 ( -12.154 0.000 9.574) 15.472 8.737 ( -8.794 0.000 11.428) 14.420 8.898 ( -6.854 0.000 5.150) 8.574 9.165 ( -1.140 0.000 -1.968) 2.275 9.259 ( -10.046 0.000 0.261) 10.049 9.341 ( -4.816 0.000 3.188) 5.776 9.708 ( 3.358 0.000 -3.386) 4.769 9.777 ( 1.788 0.000 -4.577) 4.914 9.842 ( 5.909 0.000 3.363) 6.799 10.065 ( 0.559 0.000 -2.087) 2.161 10.778 ( 2.518 0.000 -8.913) 9.262 10.900 ( 1.548 0.000 -6.161) 6.352 11.090 ( 12.575 0.000 4.659) 13.411 11.538 ( 2.748 0.000 1.147) 2.978 11.640 ( -0.462 0.000 2.991) 3.026 11.974 ( -10.952 0.000 0.374) 10.959 11.984 ( 11.443 0.000 -1.039) 11.490 12.250 ( 12.987 0.000 -17.633) 21.900 12.444 ( 8.004 0.000 -0.416) 8.015 12.582 ( -3.261 0.000 -3.924) 5.102 12.760 ( -6.767 0.000 1.439) 6.918 12.889 ( -0.670 0.000 -8.613) 8.639 13.028 ( -2.251 0.000 -3.181) 3.897 13.175 ( 0.252 0.000 -1.612) 1.631 13.264 ( 6.109 0.000 -6.822) 9.157 13.295 ( -4.026 0.000 5.150) 6.537 13.526 ( 0.904 0.000 1.469) 1.725 13.576 ( -11.009 0.000 3.931) 11.690 14.640 ( 2.537 0.000 -3.582) 4.389 14.795 ( 3.021 0.000 -0.743) 3.111 14.840 ( -0.629 0.000 0.588) 0.861 15.025 ( -7.980 0.000 0.590) 8.001 15.717 ( 8.233 0.000 -0.755) 8.268 16.275 ( -4.167 0.000 -2.741) 4.987 16.559 ( 14.605 0.000 -17.867) 23.077 17.328 ( -15.764 0.000 6.832) 17.180 21.873 ( -1.803 0.000 0.867) 2.000 22.029 ( 5.928 0.000 -3.830) 7.058 22.194 ( -10.606 0.000 2.855) 10.984 22.516 ( -6.227 0.000 -8.319) 10.391 23.104 ( 6.244 0.000 -5.242) 8.153 23.170 ( 9.977 0.000 -0.423) 9.986 23.318 ( -1.165 0.000 4.350) 4.503 23.843 ( -11.658 0.000 14.195) 18.369 23.927 ( 2.520 0.000 7.015) 7.454 24.180 ( -4.283 0.000 5.561) 7.019 25.006 ( 2.766 0.000 -0.117) 2.768 25.085 ( 0.812 0.000 -0.655) 1.043 25.132 ( 5.983 0.000 -9.412) 11.153 25.203 ( 4.896 0.000 -6.002) 7.746 25.323 ( 1.890 0.000 -3.007) 3.552 25.748 ( -9.513 0.000 -7.875) 12.349 ======================= Grid point 38 (16/60) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 23.058 0.000 -1.591) 23.113 1.928 ( 22.320 0.000 6.196) 23.164 2.172 ( -15.526 0.000 -2.080) 15.664 2.222 ( -1.954 0.000 -4.195) 4.628 2.484 ( 20.477 0.000 -7.483) 21.801 2.561 ( 7.075 0.000 1.982) 7.347 2.751 ( -7.727 0.000 -2.003) 7.983 2.792 ( -3.114 0.000 -6.431) 7.146 2.924 ( 3.633 0.000 -5.275) 6.405 3.070 ( -2.070 0.000 2.602) 3.325 3.192 ( -0.549 0.000 -5.666) 5.692 3.255 ( -0.104 0.000 4.808) 4.809 3.286 ( -9.004 0.000 -6.571) 11.147 3.314 ( -3.010 0.000 8.822) 9.321 3.883 ( 5.868 0.000 0.378) 5.880 4.047 ( -7.306 0.000 1.726) 7.507 4.106 ( 5.972 0.000 -2.447) 6.454 4.183 ( 2.685 0.000 -0.711) 2.778 4.276 ( -9.247 0.000 -5.612) 10.817 4.286 ( -1.020 0.000 0.263) 1.053 4.503 ( 2.351 0.000 -1.602) 2.845 4.537 ( 2.233 0.000 -0.156) 2.239 4.590 ( -2.617 0.000 -1.236) 2.894 4.622 ( -6.818 0.000 4.240) 8.028 5.175 ( 12.748 0.000 3.326) 13.175 5.340 ( 5.192 0.000 -2.569) 5.793 5.364 ( 3.710 0.000 -1.116) 3.874 5.417 ( -7.956 0.000 -0.483) 7.971 5.466 ( -5.601 0.000 -4.522) 7.198 5.525 ( -7.838 0.000 4.350) 8.964 5.681 ( 7.065 0.000 6.752) 9.773 5.820 ( 7.166 0.000 3.311) 7.894 5.879 ( 0.642 0.000 6.994) 7.023 6.189 ( -15.389 0.000 3.819) 15.856 6.334 ( 10.826 0.000 -1.783) 10.972 6.577 ( -12.538 0.000 -3.436) 13.000 6.830 ( 11.559 0.000 -5.022) 12.603 7.114 ( -14.278 0.000 -7.262) 16.018 7.499 ( 8.775 0.000 3.319) 9.381 7.612 ( 1.404 0.000 8.947) 9.056 7.895 ( 3.420 0.000 -4.053) 5.304 7.934 ( 14.700 0.000 6.056) 15.899 8.113 ( -12.223 0.000 -1.571) 12.324 8.269 ( -16.535 0.000 10.086) 19.368 8.588 ( 6.867 0.000 1.525) 7.035 8.743 ( -7.666 0.000 3.016) 8.238 8.744 ( 9.139 0.000 5.961) 10.911 8.999 ( -13.540 0.000 2.354) 13.743 9.184 ( 2.241 0.000 1.171) 2.528 9.248 ( -3.841 0.000 3.614) 5.274 9.775 ( 2.690 0.000 -3.902) 4.740 9.804 ( 0.082 0.000 -2.929) 2.930 9.958 ( 5.049 0.000 0.758) 5.106 10.042 ( -2.738 0.000 -1.144) 2.967 10.837 ( 3.054 0.000 -7.719) 8.301 10.895 ( -1.947 0.000 -7.177) 7.436 11.378 ( 14.716 0.000 2.482) 14.924 11.587 ( 2.135 0.000 0.502) 2.193 11.624 ( -1.304 0.000 1.180) 1.759 11.693 ( -14.987 0.000 1.358) 15.049 12.246 ( 12.564 0.000 -2.924) 12.900 12.467 ( -8.071 0.000 -4.096) 9.051 12.478 ( 8.667 0.000 -11.557) 14.446 12.595 ( 1.273 0.000 -6.185) 6.315 12.665 ( 3.171 0.000 2.650) 4.133 12.877 ( -11.058 0.000 -4.125) 11.802 12.925 ( 4.265 0.000 -5.725) 7.140 13.061 ( -8.132 0.000 -2.133) 8.408 13.347 ( 7.177 0.000 -0.473) 7.193 13.373 ( 4.490 0.000 -0.915) 4.582 13.451 ( -3.303 0.000 2.126) 3.928 13.492 ( -5.110 0.000 -1.517) 5.330 14.715 ( 4.276 0.000 -6.321) 7.632 14.799 ( -3.292 0.000 -4.536) 5.605 14.839 ( 2.077 0.000 -1.707) 2.689 14.903 ( -4.106 0.000 -0.394) 4.124 15.922 ( 10.784 0.000 0.850) 10.817 16.136 ( -8.970 0.000 0.876) 9.012 16.811 ( 10.773 0.000 -8.522) 13.736 17.043 ( -11.952 0.000 -0.346) 11.957 21.881 ( 2.852 0.000 1.956) 3.458 21.995 ( -7.891 0.000 2.746) 8.355 22.182 ( 8.263 0.000 -5.708) 10.043 22.359 ( -8.370 0.000 -6.950) 10.879 23.214 ( 4.247 0.000 -2.068) 4.724 23.282 ( -2.355 0.000 1.082) 2.592 23.379 ( 10.293 0.000 5.293) 11.574 23.604 ( -11.184 0.000 10.419) 15.285 23.996 ( 3.925 0.000 6.224) 7.358 24.086 ( -4.556 0.000 5.901) 7.455 25.058 ( 2.075 0.000 -0.181) 2.083 25.087 ( -0.682 0.000 -0.237) 0.722 25.259 ( 4.660 0.000 -7.976) 9.238 25.288 ( 2.441 0.000 -5.908) 6.392 25.359 ( 3.893 0.000 -3.093) 4.972 25.533 ( -10.437 0.000 -6.601) 12.349 ======================= Grid point 42 (17/60) ======================= q-point: ( 0.00 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.825 ( 0.000 18.158 20.218) 27.175 0.919 ( 0.000 18.284 25.283) 31.202 1.316 ( 0.000 38.061 20.671) 43.312 1.713 ( 0.000 -2.058 11.928) 12.105 1.927 ( 0.000 -1.525 12.001) 12.097 2.154 ( 0.000 -3.157 0.407) 3.183 2.242 ( 0.000 -1.467 7.927) 8.062 2.760 ( 0.000 2.098 3.803) 4.343 2.962 ( 0.000 -9.114 2.157) 9.366 3.149 ( 0.000 9.506 -2.105) 9.737 3.288 ( 0.000 -3.641 -11.614) 12.171 3.314 ( 0.000 -11.109 6.412) 12.827 3.331 ( 0.000 -16.216 2.166) 16.360 3.703 ( 0.000 -2.102 1.293) 2.468 3.806 ( 0.000 -6.473 10.169) 12.054 3.855 ( 0.000 -0.150 1.150) 1.160 4.117 ( 0.000 2.076 -0.088) 2.078 4.145 ( 0.000 5.018 -5.732) 7.618 4.413 ( 0.000 5.269 -0.120) 5.270 4.484 ( 0.000 7.866 0.987) 7.928 4.569 ( 0.000 -1.014 0.977) 1.408 4.585 ( 0.000 8.690 3.538) 9.383 4.700 ( 0.000 -2.165 -3.759) 4.338 5.004 ( 0.000 -5.060 0.109) 5.061 5.053 ( 0.000 -2.654 -6.947) 7.437 5.102 ( 0.000 -8.860 -9.624) 13.082 5.351 ( 0.000 -2.662 -2.965) 3.984 5.394 ( 0.000 6.784 0.391) 6.795 5.443 ( 0.000 -2.086 -4.309) 4.787 5.592 ( 0.000 4.750 -2.310) 5.282 5.650 ( 0.000 7.509 0.949) 7.569 5.714 ( 0.000 -4.967 9.490) 10.711 5.882 ( 0.000 -0.007 11.813) 11.813 6.074 ( 0.000 -8.034 1.510) 8.175 6.522 ( 0.000 1.352 8.783) 8.887 6.853 ( 0.000 -4.142 -6.472) 7.684 7.027 ( 0.000 -0.705 -2.446) 2.545 7.154 ( 0.000 -13.999 8.449) 16.351 7.193 ( 0.000 4.168 3.976) 5.760 7.444 ( 0.000 -6.614 2.398) 7.036 8.030 ( 0.000 4.747 -2.269) 5.262 8.079 ( 0.000 8.000 1.422) 8.126 8.338 ( 0.000 11.841 -12.574) 17.272 8.385 ( 0.000 8.326 -10.368) 13.297 8.768 ( 0.000 2.846 -7.050) 7.603 8.948 ( 0.000 -10.999 5.215) 12.172 8.971 ( 0.000 -6.738 5.364) 8.612 9.329 ( 0.000 -4.871 -0.983) 4.970 9.470 ( 0.000 -1.262 14.235) 14.291 9.544 ( 0.000 -4.717 4.257) 6.354 9.633 ( 0.000 1.298 2.413) 2.740 9.718 ( 0.000 12.585 -29.170) 31.769 9.845 ( 0.000 4.030 -12.871) 13.487 9.942 ( 0.000 -0.814 -7.786) 7.828 10.761 ( 0.000 2.899 -4.215) 5.116 10.830 ( 0.000 2.629 3.096) 4.062 10.922 ( 0.000 11.867 2.215) 12.072 11.290 ( 0.000 5.952 3.020) 6.674 11.490 ( 0.000 2.327 -0.438) 2.368 11.606 ( 0.000 -1.044 6.106) 6.194 11.697 ( 0.000 -2.989 -0.023) 2.989 12.231 ( 0.000 -7.482 1.146) 7.569 12.237 ( 0.000 9.405 2.912) 9.846 12.618 ( 0.000 -3.399 -0.257) 3.409 12.922 ( 0.000 -1.000 -0.782) 1.270 12.950 ( 0.000 -0.985 -3.656) 3.786 13.043 ( 0.000 -0.949 7.383) 7.444 13.069 ( 0.000 -1.870 -5.008) 5.345 13.150 ( 0.000 1.151 -3.643) 3.820 13.209 ( 0.000 0.716 -1.025) 1.251 13.660 ( 0.000 -0.481 14.824) 14.831 14.099 ( 0.000 -29.559 25.532) 39.059 14.633 ( 0.000 0.703 -0.303) 0.765 14.653 ( 0.000 0.367 4.753) 4.768 15.013 ( 0.000 2.394 3.368) 4.132 15.208 ( 0.000 -4.042 -5.828) 7.093 15.335 ( 0.000 2.062 -5.622) 5.988 15.558 ( 0.000 -1.623 7.296) 7.474 16.369 ( 0.000 5.807 -11.798) 13.150 17.286 ( 0.000 -38.880 15.161) 41.731 21.893 ( 0.000 -1.212 -0.044) 1.213 22.152 ( 0.000 -5.873 -0.042) 5.873 22.539 ( 0.000 10.563 -7.072) 12.712 22.786 ( 0.000 7.782 -1.665) 7.958 22.881 ( 0.000 -0.422 -11.872) 11.880 23.176 ( 0.000 32.289 -17.293) 36.628 23.287 ( 0.000 -5.410 7.789) 9.483 23.891 ( 0.000 -0.086 8.456) 8.457 24.151 ( 0.000 -8.971 4.216) 9.913 24.337 ( 0.000 -12.175 13.216) 17.969 24.615 ( 0.000 8.266 -1.374) 8.379 24.908 ( 0.000 -1.768 -0.143) 1.774 25.092 ( 0.000 1.500 -3.051) 3.400 25.197 ( 0.000 -1.052 -3.881) 4.021 25.510 ( 0.000 23.856 -25.681) 35.052 25.939 ( 0.000 -1.050 -10.865) 10.916 ======================= Grid point 43 (18/60) ======================= q-point: ( 0.14 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.849 ( 11.929 19.184 9.905) 24.666 1.074 ( 14.666 15.000 13.964) 25.201 1.633 ( 20.348 22.011 13.829) 33.012 1.781 ( 7.677 -3.633 3.905) 9.348 2.155 ( 8.880 0.139 -0.118) 8.882 2.216 ( 16.263 -4.677 13.381) 21.573 2.446 ( 13.707 1.485 5.237) 14.748 2.767 ( -0.673 -1.003 1.102) 1.635 2.887 ( -4.657 -2.145 1.350) 5.302 3.228 ( -3.698 -7.978 3.523) 9.473 3.256 ( 1.595 -4.535 -7.030) 8.516 3.334 ( -1.491 -11.979 3.286) 12.511 3.345 ( 1.223 2.233 -5.159) 5.754 3.668 ( -1.843 -7.288 1.116) 7.600 3.748 ( -0.913 -2.875 4.981) 5.823 3.844 ( 0.756 -1.274 0.909) 1.738 4.183 ( 3.080 2.151 -2.833) 4.705 4.218 ( 5.000 7.549 0.055) 9.055 4.382 ( -3.070 5.329 -0.467) 6.168 4.482 ( -2.521 6.251 0.846) 6.793 4.493 ( 1.930 6.030 1.853) 6.597 4.641 ( 0.126 5.544 -0.664) 5.585 4.712 ( -2.176 0.110 -3.530) 4.149 4.882 ( -5.579 -9.707 -9.324) 14.570 4.965 ( -4.746 -2.254 -0.856) 5.323 5.204 ( -0.655 -0.190 5.021) 5.067 5.328 ( 1.452 -6.000 -4.805) 7.823 5.346 ( 0.378 -1.279 -3.352) 3.607 5.471 ( 1.208 -1.762 -2.457) 3.256 5.534 ( -2.298 4.832 -1.851) 5.662 5.681 ( 1.465 6.518 3.035) 7.338 5.792 ( -1.075 -0.695 6.843) 6.962 5.910 ( 6.857 -0.376 5.037) 8.517 6.048 ( -2.429 -7.701 3.459) 8.785 6.505 ( -1.338 2.048 8.944) 9.273 6.793 ( -5.231 -2.922 -7.171) 9.344 7.007 ( -6.578 -1.619 -0.942) 6.840 7.084 ( 2.135 -8.015 1.072) 8.363 7.268 ( 4.134 -2.304 5.843) 7.520 7.468 ( 2.792 -0.675 4.933) 5.708 7.938 ( -8.213 7.122 -4.562) 11.789 8.075 ( 1.100 3.722 -2.692) 4.724 8.179 ( -6.258 8.588 -7.920) 13.253 8.551 ( 5.305 11.592 -6.959) 14.524 8.753 ( -4.501 -0.180 2.965) 5.393 8.845 ( -4.759 -5.360 1.947) 7.428 9.028 ( 1.768 -7.335 7.095) 10.357 9.240 ( -8.213 -3.515 1.636) 9.082 9.307 ( -16.224 0.600 -2.930) 16.497 9.507 ( 0.205 2.465 -0.370) 2.501 9.648 ( 3.039 0.790 1.447) 3.457 9.707 ( 5.387 0.360 -2.723) 6.047 9.786 ( -1.400 0.247 -1.091) 1.792 10.029 ( 2.842 0.355 -4.753) 5.549 10.775 ( 1.006 2.887 -6.774) 7.432 10.852 ( 1.656 0.392 -2.459) 2.991 10.912 ( 3.108 5.310 4.989) 7.921 11.480 ( 1.590 -4.443 -0.446) 4.741 11.604 ( 0.509 2.040 4.826) 5.264 11.781 ( 8.233 -0.662 0.310) 8.265 11.869 ( 26.556 2.303 -22.047) 34.592 12.206 ( -1.113 0.003 0.448) 1.200 12.295 ( 4.792 3.790 1.864) 6.387 12.609 ( -0.659 -2.126 -2.742) 3.532 12.872 ( -3.592 -2.160 -0.424) 4.213 12.926 ( -2.702 -2.127 -6.779) 7.601 13.005 ( -2.655 -0.629 2.497) 3.699 13.128 ( 5.537 0.043 -1.713) 5.796 13.166 ( 0.472 0.246 1.626) 1.711 13.281 ( 5.953 0.195 -2.594) 6.497 13.581 ( -5.991 -0.217 10.570) 12.152 13.840 ( -16.579 -10.927 12.838) 23.645 14.621 ( -0.307 0.437 0.683) 0.867 14.713 ( 4.540 0.454 0.131) 4.564 14.840 ( -2.014 1.042 2.318) 3.242 15.211 ( -8.654 -0.179 0.947) 8.707 15.574 ( 7.296 -1.335 2.822) 7.935 15.882 ( 25.968 -16.480 -11.108) 32.700 16.390 ( 2.382 5.258 -11.071) 12.485 17.239 ( -4.458 -30.028 12.529) 32.841 21.917 ( 2.570 -0.498 -1.290) 2.918 22.120 ( -4.413 3.972 -0.178) 5.940 22.413 ( -7.584 4.093 -6.945) 11.068 22.718 ( -6.395 8.811 -3.081) 11.315 22.894 ( 0.914 0.910 -0.881) 1.562 23.143 ( 0.802 5.088 -4.999) 7.178 23.367 ( 3.890 7.261 -2.554) 8.624 23.855 ( -3.658 -3.346 8.408) 9.761 24.079 ( -4.949 -4.324 9.700) 11.717 24.218 ( -4.428 -1.866 8.913) 10.126 24.831 ( 11.213 -2.643 -2.981) 11.900 24.938 ( 2.592 -1.325 -0.178) 2.916 25.124 ( 2.891 1.375 -3.234) 4.550 25.208 ( 1.031 0.404 -4.899) 5.022 25.445 ( -4.036 17.102 -15.701) 23.564 25.893 ( -5.022 -1.126 -10.016) 11.261 ======================= Grid point 44 (19/60) ======================= q-point: ( 0.29 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 25.573 9.003 -2.529) 27.229 1.456 ( 20.923 4.382 8.658) 23.064 1.976 ( 13.123 -5.765 -1.665) 14.430 2.114 ( 21.272 12.238 -1.391) 24.580 2.265 ( 4.535 -2.941 -7.856) 9.536 2.593 ( -5.609 -4.652 0.322) 7.294 2.616 ( 13.558 5.651 7.827) 16.644 2.782 ( 3.433 -2.167 3.068) 5.089 2.890 ( 7.610 0.799 10.263) 12.801 3.044 ( -9.603 -9.579 0.574) 13.576 3.264 ( -4.530 0.279 0.689) 4.591 3.267 ( -3.717 -2.569 -1.180) 4.670 3.325 ( 2.629 1.539 -0.737) 3.134 3.537 ( -7.607 0.140 -2.187) 7.917 3.889 ( 3.952 -0.632 -0.386) 4.021 3.921 ( 9.558 -7.537 -1.894) 12.318 4.187 ( -3.963 1.631 -2.492) 4.957 4.225 ( -2.467 11.481 0.151) 11.744 4.323 ( -2.749 8.238 -0.512) 8.699 4.482 ( -0.942 0.680 0.498) 1.264 4.503 ( -1.451 3.068 -2.396) 4.155 4.598 ( -3.788 4.322 -4.761) 7.463 4.646 ( -1.327 2.632 -1.181) 3.175 4.818 ( -7.215 1.155 1.128) 7.393 4.876 ( 5.137 -6.811 -0.201) 8.534 5.182 ( 0.832 -5.959 -1.130) 6.122 5.364 ( 0.445 -6.861 -2.734) 7.399 5.416 ( -0.057 0.366 -3.235) 3.256 5.487 ( 7.433 -2.423 10.236) 12.880 5.558 ( 1.908 -0.243 -2.869) 3.454 5.663 ( -5.033 3.621 -1.971) 6.506 5.714 ( -1.322 4.096 6.664) 7.933 5.965 ( -4.750 -5.010 7.207) 9.980 6.109 ( 9.561 -0.887 -0.699) 9.627 6.450 ( -6.220 2.095 6.935) 9.549 6.683 ( -3.432 -2.013 -6.144) 7.320 6.823 ( -8.657 -1.494 -2.232) 9.064 7.145 ( 1.252 -11.619 -4.824) 12.642 7.382 ( 6.607 1.335 5.462) 8.676 7.565 ( 5.574 3.652 8.061) 10.458 7.776 ( -4.394 5.701 -3.671) 8.079 8.046 ( -4.349 6.352 -6.276) 9.932 8.156 ( 4.142 0.013 -3.636) 5.512 8.528 ( -14.587 -4.975 10.836) 18.840 8.586 ( -3.532 7.423 0.215) 8.223 8.760 ( -3.490 1.032 2.264) 4.286 8.952 ( -13.286 -8.596 1.719) 15.917 9.027 ( -2.529 1.157 9.649) 10.042 9.171 ( 1.390 1.290 -1.944) 2.716 9.524 ( -2.048 5.569 1.380) 6.092 9.708 ( 3.092 -0.045 -2.191) 3.790 9.770 ( 0.598 0.210 -0.056) 0.636 9.844 ( 6.410 0.453 -1.876) 6.694 10.058 ( 0.118 -0.675 -1.996) 2.110 10.802 ( 1.816 2.235 -8.094) 8.591 10.889 ( 1.729 -0.652 -5.811) 6.098 11.036 ( 7.436 -3.363 3.665) 8.946 11.471 ( -2.400 -11.864 2.129) 12.291 11.640 ( 2.737 6.244 1.470) 6.974 11.927 ( 2.449 0.711 1.172) 2.806 12.096 ( 2.728 2.952 -6.811) 7.909 12.350 ( 12.178 7.151 -11.807) 18.408 12.430 ( 7.508 0.900 -0.778) 7.602 12.584 ( -2.411 0.380 -6.099) 6.570 12.770 ( -4.396 -0.481 0.564) 4.458 12.902 ( -0.981 1.588 -7.152) 7.391 12.950 ( -2.234 -4.899 -1.744) 5.660 13.192 ( 2.156 0.456 -1.598) 2.722 13.263 ( 5.482 0.020 -3.467) 6.487 13.314 ( -3.565 1.260 3.818) 5.373 13.511 ( -0.502 -1.433 1.818) 2.369 13.559 ( -9.099 -1.748 3.197) 9.801 14.637 ( 2.167 -0.269 -2.949) 3.669 14.798 ( 2.575 -1.068 -0.090) 2.789 14.828 ( -0.420 0.414 -0.530) 0.793 15.034 ( -7.202 0.545 -0.229) 7.227 15.726 ( 8.374 1.082 -0.275) 8.448 16.171 ( 2.233 -11.181 -2.673) 11.711 16.517 ( 9.612 -2.331 -12.362) 15.832 17.106 ( -7.994 -17.153 7.127) 20.221 21.995 ( 3.835 -0.985 -1.810) 4.353 22.000 ( -4.898 9.549 0.116) 10.733 22.272 ( -5.959 4.440 -2.848) 7.958 22.564 ( -7.644 4.798 -5.121) 10.376 22.951 ( 4.587 -6.653 4.295) 9.151 23.172 ( 0.726 -4.706 -0.124) 4.764 23.437 ( 3.251 8.890 -3.402) 10.059 23.748 ( -6.034 -5.559 8.216) 11.611 24.016 ( -1.145 3.448 9.555) 10.222 24.142 ( -3.418 -2.058 6.662) 7.765 24.999 ( 3.762 -1.093 -0.993) 4.041 25.009 ( 5.346 -2.347 -1.964) 6.160 25.197 ( 3.586 1.616 -3.798) 5.468 25.240 ( 2.298 2.049 -6.451) 7.148 25.387 ( -1.601 7.295 -6.618) 9.979 25.734 ( -9.616 -1.548 -8.036) 12.627 ======================= Grid point 45 (20/60) ======================= q-point: ( 0.43 0.20 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 20.646 3.025 -0.102) 20.866 1.919 ( 21.171 -0.730 3.436) 21.461 2.150 ( -6.463 -4.597 -2.801) 8.411 2.251 ( -1.901 3.304 -6.591) 7.614 2.396 ( 2.463 -3.140 1.000) 4.114 2.523 ( -3.265 -11.617 -4.580) 12.907 2.678 ( 1.224 0.675 -2.793) 3.124 2.776 ( -0.953 -0.894 -0.848) 1.558 2.997 ( 7.241 4.465 -2.940) 9.000 3.070 ( 4.185 1.300 3.999) 5.933 3.168 ( -3.774 -0.379 0.334) 3.808 3.201 ( -4.383 -0.202 -1.572) 4.661 3.397 ( 2.378 6.250 3.035) 7.344 3.424 ( -2.392 6.105 -1.978) 6.849 3.962 ( 3.493 3.203 -2.391) 5.308 4.039 ( -0.991 -3.693 -3.954) 5.500 4.104 ( 1.269 1.230 -2.637) 3.175 4.195 ( -3.144 4.290 -3.750) 6.508 4.256 ( -0.442 4.944 1.780) 5.273 4.346 ( -7.586 1.360 -0.442) 7.719 4.533 ( 2.219 0.430 -0.576) 2.333 4.569 ( 2.183 4.426 -1.127) 5.062 4.593 ( -3.220 1.449 -0.241) 3.539 4.667 ( -6.215 3.676 3.022) 7.828 5.105 ( 12.172 -7.266 1.452) 14.250 5.233 ( 2.420 -8.274 -3.088) 9.157 5.334 ( -2.178 -5.667 0.081) 6.072 5.402 ( -3.441 0.174 -0.561) 3.491 5.486 ( -1.819 3.549 -0.741) 4.056 5.551 ( -3.783 1.268 1.047) 4.124 5.679 ( 4.983 -2.171 12.122) 13.285 5.786 ( -0.745 -3.038 5.321) 6.173 5.908 ( 8.411 4.222 3.246) 9.956 6.203 ( -13.698 2.326 2.764) 14.166 6.316 ( 8.403 -2.756 -2.421) 9.169 6.524 ( -10.733 -4.675 -3.753) 12.294 6.852 ( 9.142 1.218 -3.921) 10.021 7.062 ( -8.884 -5.340 -6.580) 12.277 7.524 ( 6.693 3.033 4.629) 8.685 7.627 ( -1.304 1.348 7.049) 7.294 7.835 ( 9.215 -1.349 2.747) 9.710 8.024 ( 0.738 3.163 -1.356) 3.519 8.154 ( -7.386 5.569 1.251) 9.334 8.246 ( -8.193 -3.420 3.115) 9.409 8.494 ( 0.692 -3.760 6.485) 7.529 8.630 ( -9.330 -9.842 1.542) 13.649 8.856 ( 3.031 2.949 3.111) 5.250 8.946 ( -4.669 0.529 6.784) 8.252 9.265 ( 6.462 8.434 1.269) 10.700 9.414 ( -7.184 11.200 1.500) 13.390 9.773 ( 2.621 -0.771 -2.318) 3.583 9.795 ( 0.680 -0.625 -1.575) 1.826 9.958 ( 4.417 0.251 -1.397) 4.639 10.032 ( -2.593 -0.788 -1.486) 3.091 10.850 ( 2.577 1.121 -7.492) 8.001 10.896 ( -1.318 0.110 -7.057) 7.180 11.207 ( 8.787 -11.515 2.779) 14.749 11.377 ( -6.679 -15.023 1.896) 16.550 11.714 ( 4.562 7.508 0.342) 8.792 11.835 ( -6.786 6.102 1.166) 9.200 12.271 ( 10.314 1.983 -7.371) 12.831 12.450 ( -5.628 -0.361 -5.376) 7.791 12.576 ( 4.887 2.701 -5.771) 8.030 12.608 ( 8.087 3.736 -8.401) 12.245 12.699 ( -1.892 3.159 1.352) 3.923 12.821 ( -7.282 -1.273 -4.187) 8.496 12.957 ( 4.105 2.147 -4.361) 6.362 13.103 ( -8.777 3.209 -2.424) 9.655 13.341 ( 6.452 -0.437 -0.416) 6.480 13.366 ( 3.813 -0.884 -0.059) 3.915 13.430 ( -3.105 -1.957 2.666) 4.536 13.482 ( -4.725 -1.129 -1.350) 5.042 14.706 ( 4.061 -0.439 -5.752) 7.055 14.787 ( -3.095 -0.263 -4.268) 5.278 14.847 ( 2.491 0.212 -2.469) 3.514 14.919 ( -4.271 0.778 -2.555) 5.037 15.924 ( 9.882 0.281 1.109) 9.948 16.106 ( -6.784 -3.147 1.170) 7.569 16.721 ( 9.540 -7.900 -6.289) 13.892 16.920 ( -9.474 -10.690 0.827) 14.308 21.949 ( 0.444 5.949 1.574) 6.170 22.003 ( -3.449 1.686 1.757) 4.222 22.254 ( 5.087 5.673 -5.633) 9.476 22.402 ( -7.859 3.941 -6.318) 10.826 23.063 ( 5.380 -10.399 4.760) 12.639 23.152 ( -2.745 -9.063 3.089) 9.961 23.515 ( 4.309 6.721 -0.215) 7.987 23.621 ( -5.818 0.638 4.961) 7.673 24.023 ( 1.598 2.112 7.715) 8.157 24.073 ( -3.023 -0.657 6.800) 7.470 25.059 ( 2.221 0.122 -0.547) 2.291 25.079 ( 0.787 -0.627 -0.945) 1.381 25.277 ( 3.676 1.191 -6.958) 7.959 25.300 ( 2.361 1.211 -5.869) 6.441 25.376 ( 1.876 1.905 -3.581) 4.469 25.522 ( -9.874 -1.141 -6.401) 11.822 ======================= Grid point 49 (21/60) ======================= q-point: ( 0.00 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( 0.000 17.318 11.969) 21.051 1.283 ( 0.000 14.131 13.722) 19.697 1.627 ( 0.000 -4.319 14.703) 15.324 1.772 ( 0.000 -11.663 13.952) 18.184 2.014 ( 0.000 20.703 4.179) 21.121 2.113 ( 0.000 -0.591 2.703) 2.767 2.306 ( 0.000 15.744 12.289) 19.972 2.787 ( 0.000 0.244 5.980) 5.984 2.802 ( 0.000 -12.271 5.698) 13.529 2.864 ( 0.000 -21.509 2.941) 21.709 3.164 ( 0.000 0.805 -0.393) 0.895 3.251 ( 0.000 -4.944 -6.039) 7.805 3.421 ( 0.000 15.105 -0.760) 15.125 3.668 ( 0.000 -7.983 8.275) 11.497 3.673 ( 0.000 -0.354 3.931) 3.947 3.743 ( 0.000 -8.930 0.521) 8.945 4.178 ( 0.000 3.622 -2.738) 4.541 4.217 ( 0.000 0.709 -6.991) 7.027 4.528 ( 0.000 5.230 0.151) 5.232 4.570 ( 0.000 0.426 0.913) 1.007 4.615 ( 0.000 3.877 0.916) 3.984 4.622 ( 0.000 0.839 -0.253) 0.876 4.796 ( 0.000 4.745 1.522) 4.983 4.865 ( 0.000 -5.870 -2.127) 6.244 5.013 ( 0.000 -1.359 -9.935) 10.027 5.019 ( 0.000 -1.522 -7.075) 7.237 5.268 ( 0.000 -2.258 2.732) 3.544 5.317 ( 0.000 -7.278 3.640) 8.138 5.553 ( 0.000 5.710 2.970) 6.436 5.631 ( 0.000 -3.554 6.743) 7.622 5.719 ( 0.000 9.104 -2.414) 9.418 5.805 ( 0.000 6.406 0.256) 6.411 5.878 ( 0.000 -0.970 6.038) 6.116 5.906 ( 0.000 -8.852 -1.068) 8.916 6.580 ( 0.000 4.127 5.999) 7.282 6.705 ( 0.000 -8.980 1.368) 9.083 7.032 ( 0.000 1.118 -4.628) 4.761 7.038 ( 0.000 -0.447 0.938) 1.039 7.213 ( 0.000 0.305 5.207) 5.216 7.290 ( 0.000 -7.506 2.485) 7.907 8.225 ( 0.000 12.532 -2.616) 12.802 8.307 ( 0.000 12.494 -0.661) 12.512 8.446 ( 0.000 -1.651 -6.928) 7.121 8.553 ( 0.000 7.904 -11.257) 13.755 8.683 ( 0.000 -13.086 1.729) 13.200 8.777 ( 0.000 -8.883 -7.627) 11.708 8.947 ( 0.000 11.067 1.814) 11.214 9.178 ( 0.000 -10.767 -0.947) 10.808 9.447 ( 0.000 -0.673 12.136) 12.154 9.464 ( 0.000 -2.770 8.935) 9.354 9.671 ( 0.000 2.706 0.311) 2.724 9.732 ( 0.000 -3.163 -4.430) 5.443 9.933 ( 0.000 1.516 -23.273) 23.322 9.937 ( 0.000 0.231 -14.535) 14.537 10.818 ( 0.000 2.691 1.584) 3.123 10.851 ( 0.000 -0.433 2.856) 2.889 11.167 ( 0.000 11.635 1.425) 11.722 11.354 ( 0.000 -6.654 1.003) 6.729 11.456 ( 0.000 5.764 2.652) 6.345 11.598 ( 0.000 -7.031 0.848) 7.082 11.779 ( 0.000 13.405 2.188) 13.583 12.036 ( 0.000 -12.374 1.235) 12.435 12.418 ( 0.000 8.251 -0.846) 8.294 12.538 ( 0.000 -4.692 -3.340) 5.759 12.927 ( 0.000 0.701 -1.409) 1.574 12.932 ( 0.000 -0.511 -3.182) 3.223 13.011 ( 0.000 -1.250 4.985) 5.139 13.027 ( 0.000 -2.188 0.067) 2.189 13.179 ( 0.000 1.773 -2.118) 2.762 13.208 ( 0.000 -0.985 -0.693) 1.204 13.658 ( 0.000 0.804 18.565) 18.583 13.734 ( 0.000 -9.112 26.627) 28.143 14.647 ( 0.000 0.674 1.978) 2.089 14.655 ( 0.000 -0.128 4.340) 4.342 15.074 ( 0.000 3.631 -1.761) 4.035 15.142 ( 0.000 -3.352 -6.682) 7.475 15.394 ( 0.000 4.099 -1.345) 4.314 15.486 ( 0.000 -4.969 3.749) 6.225 16.532 ( 0.000 11.052 -8.615) 14.013 16.798 ( 0.000 -17.211 -0.661) 17.224 21.916 ( 0.000 3.598 0.106) 3.600 22.022 ( 0.000 -6.876 0.200) 6.879 22.730 ( 0.000 8.388 -9.048) 12.338 22.846 ( 0.000 -3.693 -11.199) 11.792 22.943 ( 0.000 9.729 3.285) 10.268 23.139 ( 0.000 -9.641 5.688) 11.194 23.590 ( 0.000 14.247 -8.224) 16.450 23.810 ( 0.000 -8.957 0.553) 8.974 24.073 ( 0.000 1.702 10.441) 10.579 24.161 ( 0.000 -6.778 13.350) 14.972 24.757 ( 0.000 6.301 -0.778) 6.349 24.855 ( 0.000 -3.868 -0.419) 3.890 25.128 ( 0.000 2.115 -3.244) 3.873 25.168 ( 0.000 -1.879 -3.581) 4.045 25.801 ( 0.000 8.484 -20.797) 22.461 25.902 ( 0.000 -3.032 -14.195) 14.515 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.14 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 7.643 18.856 7.326) 21.625 1.336 ( 5.853 10.117 8.264) 14.315 1.610 ( 4.718 -10.945 3.787) 12.506 1.943 ( 9.543 -2.321 5.480) 11.247 2.166 ( 7.994 3.511 4.759) 9.944 2.281 ( 18.769 10.232 7.985) 22.819 2.495 ( 13.866 9.851 10.354) 19.913 2.700 ( -3.754 -3.166 0.641) 4.952 2.864 ( 2.723 -7.988 7.540) 11.318 2.914 ( 1.754 -13.996 5.746) 15.231 3.178 ( 0.365 -0.201 -0.306) 0.517 3.266 ( 2.162 -1.629 -5.235) 5.893 3.488 ( -1.788 9.512 -3.963) 10.459 3.543 ( -0.044 -3.033 3.208) 4.415 3.697 ( -2.735 -1.831 6.052) 6.889 3.749 ( 3.900 -8.550 0.508) 9.412 4.210 ( 3.141 0.649 -3.921) 5.065 4.318 ( 6.642 2.884 -2.333) 7.608 4.502 ( -2.397 6.098 -0.789) 6.599 4.569 ( 0.087 1.153 -0.394) 1.221 4.583 ( 0.906 2.210 1.538) 2.841 4.705 ( -8.102 -1.395 -7.056) 10.834 4.737 ( -0.145 -2.733 -4.968) 5.672 4.772 ( -0.479 5.358 3.358) 6.341 4.924 ( -1.182 -1.086 -1.764) 2.385 5.177 ( -10.043 -3.558 7.899) 13.263 5.217 ( 7.515 -2.402 -5.435) 9.581 5.248 ( -2.899 -5.601 0.773) 6.354 5.475 ( 0.708 0.691 -1.760) 2.019 5.666 ( -4.876 7.311 -1.734) 8.957 5.754 ( 1.937 -0.798 7.354) 7.647 5.805 ( -1.134 2.988 0.212) 3.203 5.906 ( 4.216 -4.359 -0.451) 6.081 5.919 ( 2.403 -0.524 3.980) 4.679 6.570 ( -1.099 4.131 5.054) 6.620 6.697 ( -0.955 -6.554 0.402) 6.636 6.942 ( -4.665 -2.631 -1.413) 5.539 6.996 ( -6.377 -1.222 -3.606) 7.427 7.262 ( 5.992 2.070 4.458) 7.750 7.380 ( 6.451 -6.314 4.001) 9.874 8.108 ( -9.229 8.449 -7.166) 14.419 8.276 ( -4.215 3.257 -5.081) 7.361 8.327 ( -3.816 15.649 -0.570) 16.117 8.619 ( -4.714 -5.248 1.654) 7.246 8.702 ( 4.599 -7.159 1.298) 8.608 8.738 ( -4.367 -7.113 -4.983) 9.721 8.957 ( -3.659 7.273 0.530) 8.159 9.154 ( -1.564 -4.911 -1.902) 5.494 9.320 ( -2.197 -0.297 4.041) 4.609 9.489 ( -6.619 -2.185 5.968) 9.176 9.663 ( 2.691 0.727 1.696) 3.263 9.720 ( 1.563 -0.070 -10.341) 10.459 9.810 ( -1.203 1.584 1.133) 2.289 10.036 ( 1.423 0.243 -7.590) 7.726 10.798 ( 3.665 -0.121 -3.904) 5.356 10.883 ( -1.285 1.840 -3.968) 4.559 11.074 ( -3.743 10.937 3.926) 12.208 11.298 ( -3.341 -11.443 2.856) 12.258 11.726 ( 5.785 5.055 -0.575) 7.704 11.788 ( 11.934 1.415 -1.781) 12.149 11.903 ( 17.897 3.683 -5.227) 19.005 12.065 ( 4.724 -10.247 0.873) 11.317 12.457 ( 3.635 7.927 -3.362) 9.346 12.559 ( 2.103 -2.949 -6.873) 7.769 12.830 ( -2.698 -1.879 -1.857) 3.776 12.875 ( -6.212 -1.652 -1.243) 6.548 13.023 ( -1.698 1.338 0.440) 2.206 13.124 ( 7.432 -0.572 3.062) 8.058 13.170 ( 0.163 0.203 0.710) 0.756 13.275 ( 4.445 -0.474 -3.235) 5.518 13.585 ( -5.401 0.971 11.954) 13.153 13.658 ( -6.498 -6.334 16.761) 19.060 14.629 ( -0.656 0.269 1.145) 1.347 14.709 ( 2.823 -0.404 4.017) 4.926 14.874 ( -3.976 1.617 -5.436) 6.926 15.203 ( -8.680 -0.417 4.594) 9.830 15.554 ( 15.781 -0.390 -0.983) 15.817 15.656 ( 12.317 -6.005 -0.421) 13.710 16.505 ( -1.384 6.089 -9.969) 11.763 16.839 ( 2.419 -12.414 2.038) 12.810 21.943 ( 2.766 3.175 -0.976) 4.322 22.066 ( 3.212 -5.515 0.537) 6.405 22.532 ( -12.342 4.732 -10.568) 16.923 22.859 ( -6.499 5.781 -0.567) 8.717 22.927 ( 0.431 1.447 -0.197) 1.523 23.098 ( -2.395 -5.166 4.898) 7.511 23.572 ( -0.721 9.921 -6.078) 11.658 23.766 ( -5.914 -6.094 2.245) 8.784 23.978 ( -1.092 -3.680 8.006) 8.879 24.206 ( -0.279 -0.057 11.963) 11.966 24.845 ( 6.660 2.540 -1.256) 7.238 24.901 ( 3.883 -2.454 -0.535) 4.624 25.157 ( 2.612 1.920 -3.383) 4.686 25.192 ( 2.145 -1.531 -3.769) 4.598 25.687 ( -7.969 7.194 -16.054) 19.312 25.861 ( -5.374 -1.935 -12.160) 13.435 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.29 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.517 ( 15.754 9.754 2.881) 18.752 1.546 ( 15.256 6.002 2.344) 16.561 1.822 ( 13.716 -8.383 -4.978) 16.828 2.137 ( 8.470 -4.196 -6.604) 11.530 2.346 ( 4.047 -4.083 3.129) 6.545 2.532 ( 3.964 11.714 -1.539) 12.462 2.711 ( 6.981 -4.115 3.218) 8.719 2.773 ( -2.420 1.990 9.429) 9.935 2.824 ( 5.203 1.762 7.953) 9.666 2.990 ( 6.455 -5.965 3.524) 9.469 3.190 ( 0.282 2.297 1.227) 2.619 3.280 ( -2.746 -2.936 0.001) 4.020 3.396 ( 2.756 3.918 -4.180) 6.358 3.560 ( -4.735 2.086 -0.300) 5.183 3.760 ( 9.312 -4.776 -2.522) 10.765 3.873 ( 6.624 -2.429 1.169) 7.151 4.223 ( -4.554 1.357 -5.694) 7.417 4.389 ( -1.317 5.106 0.541) 5.301 4.449 ( 0.176 1.451 -2.305) 2.729 4.544 ( -5.822 5.870 -5.257) 9.797 4.562 ( -0.860 2.472 -1.139) 2.855 4.591 ( -4.984 -1.608 -0.883) 5.311 4.729 ( 7.506 -5.440 0.161) 9.271 4.781 ( -4.242 6.621 2.211) 8.168 4.861 ( -5.080 2.444 -0.106) 5.638 5.037 ( -0.530 -8.597 -0.239) 8.616 5.215 ( -0.054 -5.256 0.407) 5.272 5.367 ( 8.217 -2.847 3.346) 9.318 5.511 ( -1.028 1.853 4.095) 4.611 5.557 ( -2.381 0.040 -3.363) 4.121 5.694 ( -4.672 0.441 1.618) 4.964 5.798 ( -1.587 1.803 6.163) 6.614 5.928 ( 1.701 2.821 1.554) 3.642 6.066 ( 7.362 -3.644 -1.355) 8.325 6.497 ( -7.120 2.384 2.312) 7.856 6.642 ( -6.500 -2.169 3.087) 7.516 6.819 ( -3.464 2.005 -4.323) 5.892 6.933 ( 0.727 -8.983 -6.224) 10.953 7.426 ( 9.000 3.602 6.043) 11.424 7.528 ( 7.186 -5.253 4.912) 10.167 7.924 ( -7.132 6.953 -5.916) 11.585 8.160 ( -6.303 -0.288 -3.560) 7.244 8.261 ( -2.668 13.662 -1.780) 14.034 8.475 ( -8.818 -0.913 6.318) 10.886 8.589 ( -8.510 -9.532 0.862) 12.807 8.656 ( -13.483 -8.061 8.922) 18.066 8.816 ( 0.779 1.628 -4.293) 4.657 9.155 ( -8.632 3.041 5.927) 10.904 9.281 ( 7.549 10.969 1.741) 13.429 9.485 ( 4.704 -7.893 2.410) 9.499 9.711 ( 1.762 0.508 0.034) 1.835 9.795 ( 0.638 1.115 1.300) 1.828 9.850 ( 6.489 -0.170 -6.226) 8.995 10.046 ( -0.064 -0.420 -1.871) 1.919 10.850 ( 0.197 2.145 -7.196) 7.512 10.890 ( 1.878 0.315 -6.320) 6.600 11.034 ( -0.239 4.569 3.343) 5.667 11.218 ( -4.473 -12.738 3.353) 13.911 11.772 ( 1.755 5.599 -1.335) 6.017 11.949 ( 1.487 0.198 2.170) 2.638 12.111 ( 8.736 0.139 -8.174) 11.965 12.341 ( 11.596 -2.699 -2.991) 12.276 12.537 ( 2.319 2.129 -4.402) 5.412 12.626 ( 2.998 3.861 -13.805) 14.645 12.743 ( -2.249 0.698 -0.099) 2.357 12.871 ( 4.373 -3.164 -4.902) 7.291 12.963 ( -3.453 2.584 -2.182) 4.834 13.186 ( 2.186 -0.696 1.757) 2.889 13.262 ( 4.250 -0.209 1.285) 4.445 13.327 ( -0.202 0.160 2.675) 2.687 13.485 ( -5.092 -0.815 3.023) 5.977 13.519 ( -4.381 -1.790 1.103) 4.859 14.631 ( 1.914 -0.220 -1.666) 2.547 14.756 ( 1.710 -1.860 0.804) 2.652 14.867 ( 0.702 2.132 -2.894) 3.662 15.033 ( -7.161 -0.550 -0.869) 7.235 15.766 ( 8.494 3.240 0.409) 9.100 15.932 ( 9.698 -10.134 1.417) 14.099 16.509 ( 2.012 0.892 -8.400) 8.683 16.844 ( -2.605 -8.164 4.084) 9.493 22.018 ( 3.443 2.810 -1.238) 4.613 22.103 ( -0.651 -0.069 0.842) 1.066 22.329 ( -5.289 2.138 -8.884) 10.558 22.661 ( -10.186 3.657 0.076) 10.823 22.909 ( -1.059 1.238 5.384) 5.626 23.056 ( -2.366 -5.521 4.485) 7.497 23.573 ( 0.618 5.116 -4.561) 6.881 23.656 ( -3.247 -4.192 1.658) 5.556 23.999 ( 1.692 -2.163 6.762) 7.299 24.160 ( -3.320 1.749 10.659) 11.301 24.977 ( 5.386 -0.357 -1.951) 5.740 24.993 ( 4.507 -0.462 -0.849) 4.609 25.223 ( 3.277 1.151 -3.936) 5.249 25.249 ( 3.234 -0.415 -4.219) 5.333 25.533 ( -6.343 5.827 -9.576) 12.879 25.690 ( -9.946 -2.579 -8.272) 13.191 ======================= Grid point 52 (24/60) ======================= q-point: ( 0.43 0.40 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 15.497 1.404 2.717) 15.796 1.932 ( 18.667 2.256 0.807) 18.820 2.053 ( 2.184 -1.602 -2.646) 3.786 2.205 ( -5.172 -12.216 -0.710) 13.285 2.315 ( 0.779 2.225 -12.052) 12.280 2.459 ( -12.075 1.098 -1.420) 12.208 2.683 ( 4.508 0.095 2.101) 4.974 2.792 ( -3.922 1.377 4.744) 6.307 3.024 ( 9.738 1.068 0.363) 9.803 3.099 ( 1.503 -3.367 0.152) 3.690 3.171 ( 1.304 4.030 -0.182) 4.239 3.261 ( -1.767 2.854 0.029) 3.357 3.485 ( 2.558 3.147 1.340) 4.271 3.506 ( 0.051 1.702 -1.699) 2.405 3.919 ( 5.255 -3.908 -6.101) 8.951 3.971 ( 1.493 -1.534 -3.416) 4.031 4.147 ( 1.656 1.387 -4.804) 5.267 4.297 ( -11.184 0.731 -1.344) 11.288 4.370 ( -0.779 7.056 -2.991) 7.703 4.421 ( -4.368 4.490 -2.409) 6.712 4.541 ( 2.210 -0.034 -2.627) 3.433 4.620 ( -2.367 3.153 -0.798) 4.022 4.664 ( 0.720 3.096 4.227) 5.289 4.754 ( -4.525 4.982 3.185) 7.446 4.935 ( 7.621 -7.984 -2.365) 11.288 5.028 ( -1.761 -10.524 -2.761) 11.022 5.272 ( 5.646 -1.315 1.841) 6.082 5.403 ( -5.381 -0.101 1.255) 5.526 5.547 ( 1.727 2.252 1.220) 3.089 5.572 ( 2.459 0.712 5.886) 6.418 5.617 ( 0.883 -2.462 6.358) 6.875 5.728 ( -5.052 -2.246 9.787) 11.241 6.032 ( 9.522 7.376 -0.965) 12.084 6.218 ( 7.278 -6.530 -1.150) 9.845 6.288 ( -11.876 5.987 1.900) 13.435 6.417 ( -11.473 -6.281 -0.992) 13.118 6.869 ( 4.921 1.293 -5.344) 7.379 6.942 ( -1.225 -5.645 -6.454) 8.662 7.603 ( 6.447 3.913 7.753) 10.816 7.644 ( 2.703 -0.088 7.137) 7.632 7.856 ( 2.031 2.562 -0.949) 3.405 8.005 ( -9.039 -4.106 1.421) 10.029 8.237 ( 0.800 5.275 -2.123) 5.742 8.299 ( -5.637 7.581 1.775) 9.613 8.410 ( -5.812 -10.978 1.400) 12.500 8.432 ( -6.657 -4.787 4.206) 9.215 8.877 ( 4.013 0.623 4.985) 6.430 8.985 ( -6.602 1.470 9.118) 11.353 9.457 ( 7.588 9.439 0.710) 12.132 9.554 ( -0.422 1.306 0.236) 1.393 9.740 ( 2.075 -1.192 -0.777) 2.516 9.789 ( -1.358 -0.490 0.201) 1.458 9.970 ( 4.212 0.637 -4.255) 6.021 10.029 ( -1.679 0.481 -2.173) 2.788 10.870 ( 1.583 0.719 -7.004) 7.217 10.899 ( -0.733 0.302 -6.297) 6.347 11.050 ( 1.805 -3.245 2.869) 4.693 11.119 ( -4.571 -10.146 2.832) 11.483 11.827 ( 3.589 3.669 -0.902) 5.211 11.910 ( -3.780 1.765 1.756) 4.526 12.306 ( 8.770 1.357 -11.000) 14.134 12.442 ( -2.640 -0.680 -6.282) 6.848 12.556 ( 2.093 0.031 -3.140) 3.774 12.608 ( -1.908 -4.170 -4.358) 6.326 12.814 ( 4.462 6.359 -6.615) 10.203 12.889 ( -3.223 3.837 -3.854) 6.322 12.996 ( 7.151 1.666 -4.633) 8.682 13.155 ( -6.649 1.676 -2.046) 7.155 13.333 ( 3.430 -0.573 2.894) 4.524 13.342 ( 1.909 -0.897 -0.325) 2.134 13.388 ( -1.694 -2.003 4.444) 5.160 13.457 ( -3.841 -1.010 -1.514) 4.250 14.713 ( 5.212 1.091 -6.599) 8.480 14.789 ( 0.318 -0.560 -5.524) 5.561 14.852 ( -0.932 1.541 -2.355) 2.965 14.907 ( -4.835 -2.085 -4.239) 6.760 15.940 ( 7.276 1.499 1.407) 7.561 16.027 ( -0.303 -4.057 2.185) 4.618 16.591 ( 5.814 -3.843 -2.888) 7.544 16.735 ( -7.053 -6.228 2.314) 9.689 22.043 ( -0.205 2.868 0.720) 2.964 22.064 ( -2.011 3.109 1.579) 4.025 22.336 ( 4.938 2.078 -7.640) 9.331 22.476 ( -7.733 2.638 -4.804) 9.478 22.920 ( 2.352 -3.334 7.717) 8.729 22.990 ( -3.704 -6.072 6.723) 9.787 23.593 ( 1.152 1.784 -2.875) 3.574 23.616 ( -1.186 -0.707 -0.646) 1.525 24.037 ( 2.066 -0.118 8.027) 8.290 24.090 ( -3.078 1.386 9.334) 9.926 25.062 ( 2.563 0.162 -1.407) 2.928 25.069 ( 2.072 -0.346 -1.415) 2.532 25.293 ( 3.694 0.429 -6.083) 7.130 25.319 ( 2.778 0.511 -5.093) 5.824 25.428 ( -3.167 3.013 -4.936) 6.594 25.489 ( -8.208 -2.206 -5.879) 10.334 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 0.000 26.780) 26.780 1.377 ( 0.000 0.000 28.735) 28.735 1.549 ( 0.000 0.000 25.985) 25.985 1.997 ( 0.000 0.000 12.219) 12.219 2.221 ( 0.000 0.000 4.991) 4.991 2.262 ( 0.000 0.000 21.298) 21.298 2.456 ( 0.000 0.000 9.682) 9.682 2.803 ( 0.000 0.000 3.104) 3.104 2.953 ( 0.000 0.000 -7.492) 7.492 3.021 ( 0.000 0.000 -10.271) 10.271 3.163 ( 0.000 0.000 5.784) 5.784 3.546 ( 0.000 0.000 -1.742) 1.742 3.689 ( 0.000 0.000 11.216) 11.216 3.758 ( 0.000 0.000 -3.389) 3.389 3.793 ( 0.000 0.000 6.849) 6.849 4.048 ( 0.000 0.000 2.588) 2.588 4.064 ( 0.000 0.000 -0.922) 0.922 4.103 ( 0.000 0.000 2.811) 2.811 4.352 ( 0.000 0.000 -2.739) 2.739 4.355 ( 0.000 0.000 -2.000) 2.000 4.501 ( 0.000 0.000 -0.635) 0.635 4.600 ( 0.000 0.000 1.121) 1.121 4.654 ( 0.000 0.000 -5.510) 5.510 4.913 ( 0.000 0.000 -10.555) 10.555 5.011 ( 0.000 0.000 -10.887) 10.887 5.059 ( 0.000 0.000 -0.058) 0.058 5.064 ( 0.000 0.000 -5.377) 5.377 5.222 ( 0.000 0.000 -8.881) 8.881 5.447 ( 0.000 0.000 -0.422) 0.422 5.492 ( 0.000 0.000 -1.088) 1.088 5.675 ( 0.000 0.000 5.026) 5.026 5.894 ( 0.000 0.000 3.599) 3.599 6.136 ( 0.000 0.000 10.412) 10.412 6.258 ( 0.000 0.000 8.148) 8.148 6.689 ( 0.000 0.000 -10.994) 10.994 6.859 ( 0.000 0.000 16.630) 16.630 6.981 ( 0.000 0.000 -4.255) 4.255 7.208 ( 0.000 0.000 5.978) 5.978 7.425 ( 0.000 0.000 1.204) 1.204 7.642 ( 0.000 0.000 8.479) 8.479 7.886 ( 0.000 0.000 -8.399) 8.399 7.916 ( 0.000 0.000 -4.384) 4.384 7.957 ( 0.000 0.000 -9.920) 9.920 8.145 ( 0.000 0.000 -6.673) 6.673 8.555 ( 0.000 0.000 -9.899) 9.899 8.895 ( 0.000 0.000 -23.857) 23.857 9.183 ( 0.000 0.000 4.342) 4.342 9.264 ( 0.000 0.000 10.128) 10.128 9.334 ( 0.000 0.000 -2.634) 2.634 9.647 ( 0.000 0.000 2.101) 2.101 9.686 ( 0.000 0.000 3.935) 3.935 9.732 ( 0.000 0.000 -3.817) 3.817 9.808 ( 0.000 0.000 15.249) 15.249 9.870 ( 0.000 0.000 -3.043) 3.043 10.504 ( 0.000 0.000 -11.965) 11.965 10.772 ( 0.000 0.000 -6.106) 6.106 10.986 ( 0.000 0.000 12.784) 12.784 11.348 ( 0.000 0.000 5.416) 5.416 11.442 ( 0.000 0.000 0.987) 0.987 11.743 ( 0.000 0.000 1.163) 1.163 11.798 ( 0.000 0.000 6.966) 6.966 12.211 ( 0.000 0.000 2.491) 2.491 12.359 ( 0.000 0.000 3.389) 3.389 12.631 ( 0.000 0.000 -1.759) 1.759 12.868 ( 0.000 0.000 -8.852) 8.852 12.909 ( 0.000 0.000 -3.303) 3.303 12.941 ( 0.000 0.000 -0.427) 0.427 13.101 ( 0.000 0.000 -3.840) 3.840 13.169 ( 0.000 0.000 5.269) 5.269 13.333 ( 0.000 0.000 14.507) 14.507 13.904 ( 0.000 0.000 7.899) 7.899 14.434 ( 0.000 0.000 -7.309) 7.309 14.566 ( 0.000 0.000 -0.582) 0.582 14.622 ( 0.000 0.000 1.335) 1.335 15.112 ( 0.000 0.000 5.885) 5.885 15.129 ( 0.000 0.000 -9.657) 9.657 15.187 ( 0.000 0.000 -6.733) 6.733 15.881 ( 0.000 0.000 18.097) 18.097 15.968 ( 0.000 0.000 -19.083) 19.083 17.724 ( 0.000 0.000 -21.982) 21.982 21.971 ( 0.000 0.000 0.052) 0.052 22.110 ( 0.000 0.000 -4.055) 4.055 22.214 ( 0.000 0.000 0.363) 0.363 22.615 ( 0.000 0.000 5.862) 5.862 22.638 ( 0.000 0.000 -10.932) 10.932 22.909 ( 0.000 0.000 3.330) 3.330 23.547 ( 0.000 0.000 11.298) 11.298 24.116 ( 0.000 0.000 12.074) 12.074 24.396 ( 0.000 0.000 -6.015) 6.015 24.433 ( 0.000 0.000 8.865) 8.865 24.608 ( 0.000 0.000 2.492) 2.492 24.919 ( 0.000 0.000 -0.426) 0.426 24.999 ( 0.000 0.000 -2.760) 2.760 25.062 ( 0.000 0.000 -1.984) 1.984 25.085 ( 0.000 0.000 -7.592) 7.592 25.666 ( 0.000 0.000 -16.541) 16.541 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.131 ( -8.694 0.000 30.142) 31.371 1.333 ( 14.512 0.000 23.166) 27.336 1.774 ( 13.108 0.000 16.128) 20.783 1.982 ( -1.076 0.000 9.363) 9.425 2.150 ( 0.583 0.000 -0.122) 0.596 2.489 ( 3.074 0.000 7.069) 7.708 2.606 ( 19.133 0.000 16.590) 25.324 2.800 ( 0.367 0.000 0.273) 0.457 2.906 ( -2.981 0.000 -2.454) 3.861 3.060 ( 2.442 0.000 -9.111) 9.432 3.196 ( 2.055 0.000 0.421) 2.098 3.530 ( -2.606 0.000 1.195) 2.867 3.621 ( -9.559 0.000 11.656) 15.075 3.800 ( 1.244 0.000 -3.192) 3.426 3.831 ( -12.385 0.000 1.712) 12.503 3.848 ( 10.278 0.000 3.675) 10.915 4.055 ( -6.264 0.000 0.116) 6.265 4.138 ( 2.305 0.000 -3.737) 4.390 4.289 ( -4.950 0.000 -3.431) 6.023 4.377 ( 1.278 0.000 -2.739) 3.023 4.489 ( -5.647 0.000 0.156) 5.649 4.503 ( -0.565 0.000 -2.678) 2.737 4.676 ( -1.323 0.000 -2.373) 2.717 4.825 ( 0.373 0.000 -5.587) 5.599 4.981 ( -6.696 0.000 -0.253) 6.701 5.135 ( 6.081 0.000 -4.587) 7.617 5.199 ( 9.012 0.000 -7.045) 11.439 5.273 ( 4.191 0.000 -8.276) 9.277 5.456 ( -1.897 0.000 -1.595) 2.478 5.466 ( 1.497 0.000 0.434) 1.559 5.718 ( 4.281 0.000 7.523) 8.656 5.948 ( 2.479 0.000 4.533) 5.166 6.070 ( -4.089 0.000 7.524) 8.563 6.220 ( -3.646 0.000 6.754) 7.675 6.621 ( -5.643 0.000 -10.261) 11.710 6.824 ( -3.446 0.000 16.289) 16.650 6.937 ( -5.587 0.000 -5.516) 7.851 7.238 ( 3.331 0.000 4.275) 5.419 7.390 ( -3.583 0.000 0.586) 3.631 7.624 ( -0.061 0.000 9.699) 9.699 7.740 ( -5.822 0.000 -3.358) 6.721 7.915 ( -0.166 0.000 -10.708) 10.710 7.986 ( 3.006 0.000 -1.603) 3.406 8.309 ( 8.853 0.000 -3.914) 9.680 8.627 ( 6.879 0.000 -8.528) 10.956 8.969 ( 2.855 0.000 -11.748) 12.090 9.191 ( -6.601 0.000 8.115) 10.461 9.210 ( 3.770 0.000 -1.237) 3.968 9.299 ( -4.799 0.000 -0.284) 4.808 9.563 ( -7.168 0.000 8.780) 11.334 9.648 ( -3.266 0.000 -0.945) 3.400 9.661 ( -2.064 0.000 -3.036) 3.671 9.877 ( 3.209 0.000 8.066) 8.681 9.936 ( 4.672 0.000 -2.886) 5.492 10.494 ( -0.308 0.000 -13.123) 13.127 10.769 ( -0.451 0.000 -6.043) 6.060 11.047 ( 5.898 0.000 10.416) 11.970 11.487 ( 3.756 0.000 0.840) 3.849 11.519 ( 14.078 0.000 -4.552) 14.796 11.761 ( -1.093 0.000 4.426) 4.559 11.807 ( 3.604 0.000 1.420) 3.874 12.178 ( -3.797 0.000 1.440) 4.061 12.374 ( 1.751 0.000 2.642) 3.169 12.572 ( -4.718 0.000 -3.497) 5.873 12.818 ( -3.148 0.000 -4.419) 5.425 12.883 ( -1.456 0.000 -1.047) 1.793 13.016 ( 4.706 0.000 -3.949) 6.143 13.102 ( -5.446 0.000 5.452) 7.706 13.141 ( 0.957 0.000 -5.881) 5.959 13.347 ( 1.868 0.000 9.739) 9.917 13.758 ( -10.873 0.000 5.708) 12.280 14.003 ( -24.859 0.000 -1.045) 24.881 14.644 ( -0.639 0.000 1.800) 1.910 14.681 ( 7.189 0.000 0.115) 7.190 14.909 ( -5.594 0.000 0.287) 5.601 15.106 ( -2.795 0.000 -7.943) 8.420 15.690 ( -6.398 0.000 1.885) 6.670 15.761 ( 28.750 0.000 -10.439) 30.586 16.158 ( 8.046 0.000 -1.725) 8.229 17.584 ( -12.031 0.000 -16.197) 20.176 21.937 ( -2.576 0.000 0.328) 2.597 21.970 ( -4.313 0.000 0.185) 4.317 22.360 ( 3.931 0.000 -6.775) 7.833 22.446 ( -8.850 0.000 -0.143) 8.851 22.824 ( 9.911 0.000 -3.121) 10.390 22.996 ( 8.281 0.000 3.096) 8.841 23.526 ( -2.101 0.000 11.238) 11.433 24.096 ( -1.186 0.000 10.353) 10.421 24.311 ( -7.923 0.000 5.815) 9.828 24.405 ( -2.561 0.000 8.887) 9.248 24.696 ( 7.530 0.000 -10.986) 13.319 24.951 ( 2.423 0.000 0.172) 2.429 25.020 ( 1.907 0.000 -2.598) 3.223 25.044 ( 0.467 0.000 -3.752) 3.781 25.160 ( 4.295 0.000 -5.865) 7.270 25.629 ( -3.764 0.000 -16.178) 16.610 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 17.435 0.000 9.020) 19.630 1.708 ( 19.748 0.000 16.101) 25.480 1.987 ( 2.620 0.000 0.580) 2.683 2.078 ( 15.782 0.000 8.572) 17.959 2.185 ( 1.067 0.000 -5.474) 5.577 2.572 ( 4.120 0.000 3.518) 5.418 2.787 ( -0.272 0.000 5.632) 5.639 2.803 ( -2.055 0.000 -3.063) 3.688 2.912 ( -1.532 0.000 -2.383) 2.833 3.074 ( -1.341 0.000 -9.466) 9.560 3.210 ( -1.827 0.000 -0.273) 1.848 3.374 ( -6.075 0.000 8.766) 10.665 3.486 ( -16.734 0.000 -1.066) 16.768 3.544 ( 0.326 0.000 9.876) 9.881 3.829 ( -2.054 0.000 -1.583) 2.594 3.955 ( 1.134 0.000 -2.812) 3.032 4.105 ( 11.185 0.000 -0.098) 11.185 4.169 ( -0.233 0.000 -2.669) 2.679 4.197 ( -0.960 0.000 -1.304) 1.619 4.300 ( -10.109 0.000 -8.981) 13.522 4.395 ( -0.035 0.000 -5.202) 5.202 4.538 ( 0.456 0.000 2.502) 2.544 4.601 ( -3.617 0.000 -2.772) 4.557 4.819 ( -8.001 0.000 -0.781) 8.039 4.981 ( 12.972 0.000 2.820) 13.275 5.246 ( 3.311 0.000 -2.626) 4.226 5.296 ( 1.517 0.000 0.340) 1.555 5.383 ( 5.637 0.000 -5.057) 7.573 5.455 ( 0.170 0.000 -4.282) 4.286 5.505 ( 2.797 0.000 -1.789) 3.320 5.842 ( -8.901 0.000 8.089) 12.027 5.858 ( 8.977 0.000 12.860) 15.683 6.103 ( -7.674 0.000 2.760) 8.155 6.129 ( 6.648 0.000 0.269) 6.653 6.490 ( -6.858 0.000 -7.186) 9.933 6.738 ( -12.245 0.000 -6.116) 13.688 6.744 ( -2.420 0.000 14.363) 14.565 7.225 ( -11.398 0.000 -6.097) 12.926 7.350 ( 6.981 0.000 0.150) 6.982 7.705 ( 7.506 0.000 7.407) 10.545 7.802 ( 11.089 0.000 8.151) 13.762 7.845 ( -5.189 0.000 -2.516) 5.767 8.114 ( 6.820 0.000 -0.649) 6.851 8.464 ( 6.717 0.000 -0.817) 6.766 8.755 ( 0.646 0.000 2.671) 2.748 8.916 ( -5.706 0.000 4.514) 7.276 9.010 ( -10.019 0.000 4.669) 11.053 9.147 ( -5.522 0.000 1.570) 5.740 9.263 ( -4.272 0.000 -0.093) 4.273 9.444 ( -4.881 0.000 6.819) 8.386 9.568 ( 1.701 0.000 -8.894) 9.055 9.695 ( 2.232 0.000 -3.461) 4.118 9.936 ( 2.749 0.000 4.066) 4.908 10.009 ( 2.022 0.000 -1.367) 2.440 10.519 ( 2.942 0.000 -15.112) 15.396 10.746 ( -1.867 0.000 -7.928) 8.145 11.214 ( 9.729 0.000 6.826) 11.885 11.562 ( 2.706 0.000 0.858) 2.839 11.708 ( -3.083 0.000 3.388) 4.581 11.831 ( 12.822 0.000 -13.362) 18.519 11.942 ( 8.545 0.000 -3.376) 9.187 12.039 ( -7.882 0.000 -0.159) 7.884 12.424 ( 2.024 0.000 -3.332) 3.899 12.470 ( -4.965 0.000 -6.387) 8.090 12.773 ( -0.442 0.000 -2.012) 2.060 12.811 ( -5.760 0.000 4.115) 7.079 12.937 ( -6.194 0.000 -4.210) 7.490 13.109 ( -3.537 0.000 -4.827) 5.984 13.175 ( 7.792 0.000 -2.045) 8.056 13.363 ( -1.875 0.000 2.493) 3.119 13.557 ( -6.851 0.000 0.697) 6.886 13.633 ( -10.782 0.000 1.463) 10.881 14.621 ( -0.982 0.000 1.170) 1.527 14.765 ( 1.101 0.000 -2.427) 2.665 14.796 ( -5.606 0.000 -4.075) 6.931 15.003 ( -6.110 0.000 -3.167) 6.881 15.727 ( 8.915 0.000 2.278) 9.201 16.248 ( 0.377 0.000 1.432) 1.481 16.264 ( 19.872 0.000 -11.100) 22.762 17.285 ( -15.591 0.000 -9.516) 18.266 21.897 ( -0.581 0.000 1.320) 1.442 21.965 ( 3.114 0.000 -1.981) 3.691 22.249 ( -9.788 0.000 1.697) 9.934 22.343 ( -4.382 0.000 -6.949) 8.215 23.028 ( 9.364 0.000 -1.021) 9.419 23.224 ( 12.717 0.000 3.422) 13.169 23.458 ( -4.323 0.000 9.638) 10.563 24.092 ( -12.424 0.000 9.592) 15.696 24.096 ( 1.419 0.000 8.457) 8.575 24.333 ( -4.114 0.000 8.781) 9.697 24.868 ( 8.168 0.000 -14.686) 16.804 25.003 ( 2.448 0.000 -0.138) 2.452 25.064 ( 1.733 0.000 -1.358) 2.201 25.081 ( 2.572 0.000 -6.194) 6.706 25.233 ( 2.443 0.000 -5.320) 5.854 25.509 ( -7.396 0.000 -14.131) 15.949 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 23.698 0.000 -2.645) 23.846 2.073 ( 12.073 0.000 2.571) 12.344 2.095 ( -11.835 0.000 -4.431) 12.638 2.108 ( 7.387 0.000 -2.151) 7.694 2.401 ( 14.191 0.000 -0.115) 14.192 2.612 ( -1.014 0.000 2.288) 2.503 2.660 ( -8.581 0.000 -6.763) 10.925 2.675 ( -12.378 0.000 -5.423) 13.514 2.896 ( 7.677 0.000 3.218) 8.324 3.065 ( 1.888 0.000 -5.469) 5.785 3.096 ( -8.640 0.000 0.862) 8.683 3.187 ( -10.497 0.000 -1.893) 10.666 3.361 ( 3.328 0.000 5.407) 6.349 3.485 ( -6.855 0.000 7.053) 9.835 3.866 ( 6.478 0.000 -2.261) 6.862 4.031 ( 4.747 0.000 -3.683) 6.008 4.054 ( -10.042 0.000 -3.243) 10.552 4.139 ( -5.175 0.000 -5.445) 7.512 4.209 ( 5.831 0.000 2.889) 6.507 4.318 ( -1.670 0.000 1.756) 2.424 4.428 ( 9.475 0.000 -5.521) 10.967 4.533 ( 0.407 0.000 -0.689) 0.800 4.556 ( -1.458 0.000 -1.241) 1.915 4.645 ( -9.347 0.000 -2.066) 9.573 5.260 ( 9.503 0.000 4.458) 10.497 5.312 ( 3.946 0.000 -0.280) 3.956 5.363 ( 4.042 0.000 0.494) 4.073 5.399 ( -3.348 0.000 -1.434) 3.643 5.412 ( 0.592 0.000 0.713) 0.927 5.639 ( -11.201 0.000 6.024) 12.718 5.656 ( 10.788 0.000 -4.871) 11.836 5.896 ( -11.145 0.000 -1.379) 11.230 6.083 ( 11.275 0.000 12.471) 16.812 6.284 ( 8.214 0.000 -2.666) 8.636 6.313 ( -10.142 0.000 5.304) 11.445 6.483 ( -11.115 0.000 -5.108) 12.233 6.785 ( 6.348 0.000 3.288) 7.149 6.978 ( -11.329 0.000 -4.305) 12.120 7.513 ( 8.285 0.000 -3.239) 8.896 7.683 ( -7.695 0.000 -6.608) 10.143 7.945 ( 12.011 0.000 12.891) 17.619 8.125 ( 18.382 0.000 12.417) 22.183 8.152 ( -5.181 0.000 5.960) 7.897 8.511 ( -15.376 0.000 10.289) 18.500 8.635 ( 5.336 0.000 4.668) 7.089 8.807 ( -9.263 0.000 2.537) 9.604 8.872 ( 4.149 0.000 5.452) 6.851 9.062 ( -11.672 0.000 3.452) 12.172 9.191 ( 6.629 0.000 -0.909) 6.691 9.331 ( -6.152 0.000 3.596) 7.126 9.662 ( 4.583 0.000 -6.962) 8.335 9.719 ( -0.620 0.000 -5.200) 5.236 9.991 ( 2.275 0.000 2.000) 3.029 10.022 ( -0.578 0.000 0.267) 0.636 10.604 ( 4.533 0.000 -14.487) 15.180 10.690 ( -3.492 0.000 -11.604) 12.118 11.448 ( 12.619 0.000 4.045) 13.252 11.601 ( 1.631 0.000 0.720) 1.783 11.646 ( -2.677 0.000 1.016) 2.863 11.731 ( -13.737 0.000 2.155) 13.905 12.145 ( 10.242 0.000 -7.030) 12.422 12.171 ( 12.528 0.000 -16.125) 20.420 12.340 ( -7.907 0.000 -8.110) 11.327 12.386 ( -6.845 0.000 -12.877) 14.583 12.742 ( 1.020 0.000 4.534) 4.647 12.821 ( -5.246 0.000 -0.923) 5.327 12.829 ( 5.834 0.000 -2.327) 6.281 12.986 ( -7.946 0.000 -3.944) 8.871 13.340 ( 7.519 0.000 -2.474) 7.916 13.342 ( 2.054 0.000 -0.443) 2.101 13.437 ( -5.762 0.000 -3.692) 6.844 13.478 ( -5.935 0.000 -0.079) 5.936 14.622 ( 1.390 0.000 -1.891) 2.347 14.685 ( -4.537 0.000 -4.933) 6.703 14.794 ( 2.759 0.000 -2.451) 3.690 14.882 ( -5.280 0.000 -1.780) 5.572 15.965 ( 11.946 0.000 3.619) 12.482 16.174 ( -7.259 0.000 3.136) 7.908 16.630 ( 15.965 0.000 -8.910) 18.283 16.956 ( -15.636 0.000 -7.680) 17.420 21.930 ( 3.866 0.000 2.412) 4.556 22.057 ( -8.078 0.000 2.688) 8.513 22.071 ( 6.535 0.000 -4.221) 7.780 22.217 ( -6.996 0.000 -5.775) 9.072 23.207 ( 7.690 0.000 2.188) 7.995 23.350 ( -6.011 0.000 6.094) 8.560 23.509 ( 14.280 0.000 5.760) 15.397 23.810 ( -14.288 0.000 8.369) 16.559 24.152 ( 3.746 0.000 8.215) 9.029 24.241 ( -4.538 0.000 8.512) 9.646 25.028 ( 6.837 0.000 -13.841) 15.437 25.051 ( 2.013 0.000 -0.465) 2.066 25.078 ( -0.417 0.000 -0.618) 0.746 25.115 ( -0.617 0.000 -10.636) 10.654 25.270 ( 1.850 0.000 -5.183) 5.504 25.352 ( -6.461 0.000 -9.521) 11.506 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 9.657 22.843) 24.800 1.464 ( 0.000 7.919 24.396) 25.649 1.756 ( 0.000 19.284 18.949) 27.036 2.009 ( 0.000 0.753 15.295) 15.314 2.201 ( 0.000 -1.191 4.950) 5.091 2.289 ( 0.000 1.353 21.335) 21.378 2.443 ( 0.000 -0.621 10.568) 10.586 2.847 ( 0.000 4.530 4.162) 6.152 2.981 ( 0.000 -3.161 -4.424) 5.437 3.049 ( 0.000 9.849 -7.711) 12.509 3.145 ( 0.000 -3.178 2.623) 4.121 3.367 ( 0.000 -13.811 1.121) 13.856 3.477 ( 0.000 -16.722 8.607) 18.807 3.801 ( 0.000 1.027 8.415) 8.478 3.836 ( 0.000 2.056 -2.535) 3.264 3.993 ( 0.000 -5.743 -5.737) 8.118 4.005 ( 0.000 -4.230 4.926) 6.493 4.093 ( 0.000 0.529 -2.065) 2.132 4.404 ( 0.000 5.229 -1.957) 5.583 4.484 ( 0.000 8.185 -2.494) 8.556 4.545 ( 0.000 -2.591 -11.124) 11.422 4.598 ( 0.000 0.329 2.293) 2.316 4.660 ( 0.000 8.617 3.494) 9.298 4.879 ( 0.000 -1.607 -6.627) 6.819 4.884 ( 0.000 -8.406 -8.508) 11.960 5.022 ( 0.000 -3.837 -0.143) 3.840 5.239 ( 0.000 9.624 -5.917) 11.297 5.296 ( 0.000 3.770 -8.980) 9.740 5.428 ( 0.000 1.998 1.301) 2.384 5.545 ( 0.000 4.074 -2.129) 4.597 5.676 ( 0.000 0.178 2.425) 2.432 5.898 ( 0.000 0.177 4.615) 4.619 6.102 ( 0.000 -3.253 8.874) 9.451 6.176 ( 0.000 -9.083 9.638) 13.244 6.693 ( 0.000 0.466 -8.161) 8.175 6.752 ( 0.000 -4.194 12.809) 13.478 6.949 ( 0.000 -2.798 -4.923) 5.662 7.281 ( 0.000 -11.141 4.561) 12.038 7.313 ( 0.000 4.974 7.486) 8.988 7.536 ( 0.000 -8.595 6.692) 10.893 7.948 ( 0.000 6.429 -7.194) 9.648 8.027 ( 0.000 7.789 -7.992) 11.159 8.065 ( 0.000 10.588 -11.393) 15.553 8.226 ( 0.000 7.438 -3.018) 8.027 8.604 ( 0.000 5.375 -7.257) 9.031 8.892 ( 0.000 -3.091 -19.855) 20.095 9.035 ( 0.000 -13.442 2.584) 13.688 9.287 ( 0.000 -5.782 -3.480) 6.748 9.344 ( 0.000 8.389 0.805) 8.428 9.655 ( 0.000 0.261 5.753) 5.759 9.683 ( 0.000 -0.326 2.007) 2.033 9.709 ( 0.000 -1.969 -1.831) 2.689 9.794 ( 0.000 -1.432 12.802) 12.882 9.795 ( 0.000 -5.614 -4.121) 6.964 10.608 ( 0.000 8.517 -9.984) 13.124 10.789 ( 0.000 1.415 -6.795) 6.941 11.067 ( 0.000 7.894 10.814) 13.388 11.373 ( 0.000 2.514 4.319) 4.997 11.491 ( 0.000 3.475 0.325) 3.490 11.720 ( 0.000 -2.675 1.422) 3.030 11.762 ( 0.000 -1.189 8.327) 8.411 12.272 ( 0.000 -8.201 2.795) 8.664 12.275 ( 0.000 5.151 -0.367) 5.164 12.597 ( 0.000 -4.169 -2.242) 4.734 12.854 ( 0.000 0.691 -4.588) 4.639 12.911 ( 0.000 -1.470 -0.127) 1.476 12.980 ( 0.000 4.952 -3.709) 6.187 13.132 ( 0.000 1.854 -2.682) 3.260 13.166 ( 0.000 -0.056 5.741) 5.742 13.308 ( 0.000 -2.567 13.583) 13.823 13.913 ( 0.000 1.003 8.033) 8.095 14.272 ( 0.000 -11.417 -0.219) 11.419 14.654 ( 0.000 3.189 2.638) 4.139 14.672 ( 0.000 6.091 -2.153) 6.460 15.026 ( 0.000 -3.954 -4.102) 5.697 15.124 ( 0.000 -5.884 -4.393) 7.343 15.252 ( 0.000 7.831 0.308) 7.837 15.802 ( 0.000 -7.651 15.511) 17.296 16.047 ( 0.000 8.253 -17.889) 19.701 17.307 ( 0.000 -33.716 -10.352) 35.269 21.905 ( 0.000 -1.313 1.307) 1.852 22.158 ( 0.000 -5.328 0.793) 5.386 22.325 ( 0.000 11.753 -10.379) 15.680 22.634 ( 0.000 -0.748 -11.321) 11.346 22.796 ( 0.000 13.323 3.316) 13.730 23.079 ( 0.000 18.905 0.510) 18.912 23.477 ( 0.000 -7.122 10.531) 12.713 24.060 ( 0.000 -7.657 6.029) 9.746 24.275 ( 0.000 -2.484 7.600) 7.996 24.528 ( 0.000 -6.406 6.794) 9.338 24.598 ( 0.000 8.737 0.703) 8.765 24.905 ( 0.000 -1.817 -0.119) 1.821 25.010 ( 0.000 1.041 -4.273) 4.398 25.080 ( 0.000 -0.598 -7.233) 7.257 25.187 ( 0.000 10.753 -9.151) 14.120 25.639 ( 0.000 -2.871 -17.014) 17.255 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -5.697 11.766 25.619) 28.762 1.429 ( 8.363 7.892 19.279) 22.447 1.919 ( 10.333 9.756 12.211) 18.737 1.938 ( -0.797 -1.171 10.727) 10.821 2.140 ( -1.515 0.139 2.839) 3.221 2.534 ( 7.148 4.075 6.231) 10.321 2.612 ( 17.887 -0.112 15.911) 23.939 2.794 ( -4.531 -1.430 1.089) 4.875 2.951 ( -0.458 5.379 1.404) 5.578 3.077 ( 3.220 0.328 -7.368) 8.048 3.209 ( 2.701 2.695 -2.422) 4.519 3.356 ( -2.473 -13.433 3.501) 14.100 3.467 ( -4.091 -12.518 9.030) 15.968 3.698 ( -5.299 -6.152 1.910) 8.341 3.828 ( -2.081 -2.500 1.527) 3.593 3.867 ( -2.301 1.121 -0.493) 2.607 4.091 ( 5.094 -0.529 -3.278) 6.080 4.197 ( 3.046 4.557 -3.342) 6.420 4.359 ( -4.081 5.869 -2.137) 7.461 4.416 ( -4.498 2.535 -6.388) 8.214 4.552 ( -3.130 5.463 -3.728) 7.317 4.586 ( 1.007 5.909 -0.559) 6.020 4.663 ( -2.172 1.635 0.277) 2.733 4.734 ( 1.477 -5.321 -1.689) 5.774 4.951 ( -5.688 -3.268 -0.944) 6.628 5.132 ( 11.416 -3.893 -7.341) 14.120 5.251 ( -0.490 7.102 -4.134) 8.232 5.293 ( -1.593 -0.576 -3.936) 4.285 5.410 ( 2.366 -2.039 -1.245) 3.362 5.514 ( -0.775 3.876 -0.927) 4.060 5.759 ( 4.374 3.735 4.384) 7.232 5.942 ( 3.446 -1.133 4.192) 5.544 6.020 ( -5.557 -4.350 6.481) 9.582 6.161 ( -2.263 -6.087 8.072) 10.360 6.631 ( -5.465 0.700 -7.756) 9.514 6.756 ( 0.304 -3.048 13.997) 14.328 6.907 ( -5.404 -3.051 -6.199) 8.771 7.163 ( -5.493 -6.639 4.820) 9.873 7.386 ( 3.752 -0.837 5.556) 6.757 7.611 ( 6.042 -5.157 8.050) 11.309 7.806 ( -7.942 6.324 -7.013) 12.339 7.960 ( -3.051 9.881 -7.742) 12.918 8.066 ( 0.365 6.421 -3.887) 7.514 8.411 ( 9.283 7.318 -5.425) 13.007 8.688 ( 6.362 6.037 -6.224) 10.754 8.874 ( -1.597 -8.569 -5.881) 10.515 9.069 ( 2.280 -11.464 -2.765) 12.011 9.246 ( -3.911 -3.901 -1.667) 5.770 9.306 ( -4.979 6.900 3.856) 9.342 9.540 ( -5.102 -0.345 6.044) 7.917 9.623 ( -2.659 -2.578 -1.382) 3.953 9.729 ( 0.690 4.245 1.826) 4.673 9.858 ( 4.008 -2.920 -2.905) 5.748 9.891 ( 5.262 -2.521 3.968) 7.056 10.577 ( -2.080 6.903 -11.346) 13.443 10.764 ( -1.480 -0.585 -6.138) 6.341 11.075 ( 1.362 3.721 9.803) 10.573 11.476 ( 5.197 -1.273 0.409) 5.366 11.610 ( 11.903 6.359 -5.227) 14.472 11.722 ( -2.620 -1.267 5.969) 6.641 11.791 ( 5.795 -1.166 0.283) 5.918 12.221 ( -3.138 0.511 0.288) 3.193 12.325 ( 2.791 -2.290 0.534) 3.650 12.554 ( -3.763 -2.108 -2.903) 5.199 12.815 ( -2.346 -0.339 -3.346) 4.101 12.867 ( -3.018 -1.414 0.045) 3.333 13.045 ( 4.644 3.087 -4.056) 6.896 13.091 ( -5.643 -0.223 6.285) 8.450 13.160 ( -0.355 1.117 -4.735) 4.878 13.345 ( 3.671 -0.616 9.451) 10.157 13.755 ( -11.134 -0.205 5.300) 12.333 13.979 ( -21.824 -2.290 2.060) 22.040 14.637 ( 1.365 0.097 0.830) 1.600 14.716 ( 3.415 2.496 1.033) 4.354 14.874 ( -4.259 -2.931 -0.360) 5.183 15.137 ( -5.037 2.392 -7.513) 9.356 15.689 ( -1.391 -0.425 1.479) 2.074 15.710 ( 24.075 -4.605 -1.176) 24.540 16.172 ( 7.140 2.231 -7.093) 10.309 17.257 ( -4.832 -27.066 -8.936) 28.910 21.903 ( 0.668 -0.084 0.288) 0.732 22.112 ( -5.374 6.480 -0.813) 8.458 22.269 ( -1.795 -2.430 -5.365) 6.157 22.622 ( -4.692 8.476 -7.867) 12.480 22.856 ( 6.226 5.131 1.137) 8.148 23.121 ( 4.176 12.285 1.626) 13.076 23.467 ( -0.946 -5.414 9.113) 10.642 24.033 ( -3.284 -7.290 7.466) 10.939 24.242 ( -2.103 -5.052 7.273) 9.102 24.413 ( -5.574 1.332 8.789) 10.492 24.746 ( 7.976 3.711 -4.661) 9.956 24.935 ( 2.460 -1.653 -0.000) 2.964 25.030 ( 1.809 1.039 -5.334) 5.727 25.080 ( 0.438 1.573 -6.196) 6.408 25.215 ( 2.174 6.471 -7.950) 10.478 25.605 ( -3.475 -2.483 -16.477) 17.022 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 14.384 10.145 8.287) 19.455 1.700 ( 15.687 -0.362 13.961) 21.002 1.942 ( 3.294 -4.438 0.847) 5.591 2.111 ( 3.561 -4.069 -1.961) 5.752 2.249 ( 12.400 13.559 7.521) 19.854 2.619 ( -2.748 -0.835 2.165) 3.596 2.710 ( 1.623 -2.300 1.482) 3.181 2.830 ( -1.095 1.475 0.121) 1.840 2.964 ( -4.157 4.092 -2.459) 6.331 3.068 ( -1.475 -1.683 -5.956) 6.363 3.242 ( -1.778 3.413 -1.739) 4.223 3.258 ( -2.090 -5.236 9.517) 11.062 3.434 ( 3.006 -6.500 6.119) 9.419 3.511 ( -8.640 -0.710 0.886) 8.714 3.873 ( 1.074 0.394 -1.434) 1.835 3.912 ( 5.456 -7.693 -0.342) 9.438 4.090 ( -4.849 -1.528 -6.712) 8.420 4.165 ( -2.602 9.513 -3.712) 10.538 4.296 ( -1.495 6.697 -1.987) 7.144 4.408 ( 1.441 1.311 -6.609) 6.890 4.475 ( -3.321 9.774 -2.480) 10.616 4.544 ( -3.899 0.390 1.481) 4.189 4.609 ( -1.646 2.567 -2.530) 3.962 4.820 ( -6.050 0.427 -1.356) 6.215 4.910 ( 12.379 -5.505 4.176) 14.177 5.174 ( -1.693 -5.947 -0.148) 6.185 5.311 ( 4.321 -1.589 -1.700) 4.908 5.353 ( 3.682 -1.907 -3.490) 5.420 5.484 ( 1.900 0.051 -2.276) 2.965 5.544 ( 5.029 6.054 -3.196) 8.494 5.776 ( -3.229 -2.674 8.452) 9.434 5.909 ( -0.194 1.737 10.509) 10.654 6.060 ( -1.917 -4.242 0.877) 4.737 6.099 ( 3.457 -2.553 1.680) 4.615 6.488 ( -7.905 0.050 -4.930) 9.316 6.698 ( -13.185 -2.605 -4.616) 14.211 6.770 ( 1.429 1.501 11.631) 11.815 7.083 ( -3.890 -9.352 -0.879) 10.167 7.465 ( 3.594 6.964 1.044) 7.906 7.727 ( 3.916 -3.450 1.321) 5.383 7.775 ( 5.552 1.196 8.879) 10.540 7.920 ( 0.606 8.444 -3.743) 9.256 8.098 ( 3.457 0.582 -1.369) 3.763 8.549 ( 3.371 5.435 -2.363) 6.818 8.712 ( -5.749 -6.515 4.153) 9.630 8.852 ( -3.421 -2.006 4.024) 5.650 9.000 ( -8.837 -6.082 3.419) 11.260 9.132 ( 0.369 1.648 -0.745) 1.846 9.238 ( -2.860 3.154 8.384) 9.403 9.533 ( -0.325 2.736 -0.676) 2.837 9.596 ( 2.424 2.778 -6.349) 7.342 9.741 ( 0.437 4.794 -1.445) 5.027 9.909 ( 1.682 -2.820 3.925) 5.117 9.979 ( 2.536 -2.637 -2.994) 4.728 10.565 ( 1.394 4.104 -13.859) 14.521 10.735 ( -1.552 -1.012 -8.430) 8.631 11.146 ( 5.382 -4.135 6.679) 9.522 11.534 ( -1.103 -8.842 3.723) 9.657 11.669 ( -0.431 2.416 1.324) 2.789 11.846 ( 9.460 1.046 -11.479) 14.912 11.955 ( 4.800 3.906 -2.694) 6.750 12.160 ( 1.030 6.440 -5.663) 8.638 12.378 ( 0.791 -3.666 -5.069) 6.306 12.471 ( -3.095 0.019 -4.680) 5.611 12.759 ( -2.505 -0.612 -0.510) 2.628 12.831 ( -0.383 -0.404 -0.043) 0.558 12.923 ( -8.015 0.252 0.064) 8.019 13.105 ( -2.608 -0.207 -4.589) 5.282 13.197 ( 6.725 2.579 -3.028) 7.813 13.391 ( -1.211 1.806 3.274) 3.931 13.553 ( -7.002 -0.387 1.426) 7.156 13.624 ( -11.024 -0.961 2.159) 11.275 14.625 ( -1.113 0.464 1.239) 1.729 14.764 ( -1.390 -1.107 -3.162) 3.627 14.793 ( -2.732 0.844 -2.540) 3.825 14.994 ( -7.133 -0.964 -3.831) 8.154 15.746 ( 8.747 1.991 2.667) 9.359 16.133 ( 10.756 -8.039 -0.756) 13.450 16.309 ( 8.865 1.498 -7.008) 11.399 17.104 ( -9.719 -15.543 -6.752) 19.536 21.954 ( 4.070 1.354 -1.393) 4.510 22.006 ( -3.377 7.602 0.196) 8.321 22.221 ( -3.713 -1.865 -1.884) 4.562 22.463 ( -9.034 9.039 -4.721) 13.624 23.005 ( 7.383 -0.977 2.076) 7.731 23.232 ( 4.978 -0.501 5.132) 7.167 23.452 ( 0.544 0.450 4.589) 4.643 23.922 ( -7.044 -9.756 7.687) 14.279 24.206 ( -1.232 1.102 8.503) 8.662 24.314 ( -3.908 1.328 9.057) 9.953 24.893 ( 6.189 1.667 -8.945) 11.005 24.992 ( 2.829 -1.017 -0.505) 3.048 25.079 ( 2.468 1.422 -7.599) 8.115 25.103 ( 1.485 1.789 -4.347) 4.930 25.257 ( 1.545 2.680 -6.135) 6.871 25.493 ( -6.932 -1.677 -13.930) 15.649 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 21.368 4.548 -2.812) 22.027 2.029 ( 13.670 -4.087 6.182) 15.550 2.077 ( 4.026 -2.664 -4.643) 6.698 2.089 ( -4.131 -0.756 -6.220) 7.505 2.410 ( -0.218 0.197 -0.842) 0.892 2.486 ( -10.577 -11.006 1.227) 15.313 2.648 ( -1.795 1.790 -0.392) 2.566 2.713 ( -7.027 2.577 -5.670) 9.390 2.974 ( 9.081 6.741 1.454) 11.403 3.097 ( 3.082 2.214 -2.887) 4.769 3.155 ( -5.612 4.928 -0.315) 7.475 3.194 ( -5.787 1.098 3.715) 6.964 3.410 ( 1.056 3.497 0.905) 3.764 3.484 ( -2.882 0.397 3.908) 4.872 3.890 ( 2.195 -0.470 -4.351) 4.896 3.958 ( -2.056 -7.426 -4.810) 9.083 4.050 ( 1.476 0.985 -3.852) 4.241 4.105 ( -2.805 1.761 -1.673) 3.710 4.274 ( 0.557 4.326 0.086) 4.363 4.344 ( -5.321 1.267 -0.573) 5.500 4.497 ( 5.152 2.119 -3.153) 6.401 4.548 ( 2.711 3.981 -0.238) 4.823 4.575 ( -1.446 3.463 -1.531) 4.053 4.679 ( -7.484 3.062 -1.932) 8.314 5.163 ( 8.827 -9.338 3.767) 13.390 5.212 ( 3.603 -7.326 1.228) 8.256 5.348 ( 0.333 -2.657 1.222) 2.944 5.392 ( -1.263 0.899 -0.085) 1.553 5.483 ( 1.897 3.759 0.371) 4.227 5.596 ( -3.497 -0.630 2.347) 4.259 5.755 ( 4.032 6.276 -2.627) 7.909 5.902 ( -7.483 -0.143 1.820) 7.702 6.040 ( 9.980 -3.288 9.043) 13.863 6.243 ( 4.908 -3.059 -1.896) 6.086 6.299 ( -8.613 -1.220 2.277) 8.992 6.432 ( -10.534 -4.100 -4.856) 12.303 6.835 ( 4.932 3.092 4.903) 7.611 6.964 ( -6.832 -1.999 -1.231) 7.224 7.563 ( 6.006 5.488 -1.946) 8.365 7.696 ( -5.971 1.713 -3.058) 6.924 7.969 ( 12.136 1.232 10.840) 16.319 8.078 ( 9.276 -3.049 7.558) 12.348 8.165 ( 2.682 0.558 2.953) 4.028 8.421 ( -14.230 -6.618 9.387) 18.287 8.613 ( -2.911 -4.027 4.633) 6.794 8.672 ( -7.927 -8.292 3.301) 11.937 8.951 ( 5.432 4.142 5.717) 8.908 9.116 ( -8.176 4.972 8.859) 13.040 9.274 ( 8.814 8.467 -1.074) 12.269 9.440 ( -6.701 8.232 0.583) 10.630 9.692 ( 3.923 2.531 -6.032) 7.628 9.740 ( -0.855 2.004 -3.904) 4.471 9.955 ( 2.489 -3.541 1.393) 4.547 9.994 ( -0.876 -2.581 -1.149) 2.958 10.624 ( 3.587 1.853 -14.009) 14.580 10.692 ( -2.676 0.231 -11.825) 12.127 11.282 ( 7.231 -10.677 4.316) 13.598 11.434 ( -6.863 -13.297 3.497) 15.367 11.723 ( 4.835 6.331 0.543) 7.985 11.863 ( -8.009 6.283 1.346) 10.268 12.054 ( 10.702 -2.666 -12.910) 16.979 12.266 ( -7.825 -2.778 -12.770) 15.232 12.334 ( 8.123 7.598 -12.321) 16.598 12.454 ( -1.779 2.452 -9.862) 10.317 12.734 ( 0.181 -0.304 2.363) 2.389 12.783 ( -4.515 -0.809 0.738) 4.646 12.872 ( 4.501 2.268 -2.415) 5.589 13.004 ( -6.787 1.372 -4.858) 8.458 13.345 ( 6.571 0.839 -2.467) 7.069 13.358 ( 1.283 1.200 0.847) 1.950 13.439 ( -5.233 0.046 -2.350) 5.737 13.471 ( -5.456 -0.613 0.349) 5.502 14.622 ( 1.170 0.028 -1.493) 1.897 14.680 ( -4.223 -0.417 -4.520) 6.200 14.792 ( 1.937 -0.169 -2.714) 3.339 14.868 ( -5.005 -1.503 -2.483) 5.786 15.971 ( 10.876 0.672 3.662) 11.495 16.149 ( -5.355 -2.518 3.252) 6.752 16.580 ( 14.100 -4.336 -7.425) 16.515 16.864 ( -12.888 -8.185 -6.141) 16.456 21.989 ( 1.624 4.988 1.950) 5.596 22.032 ( 0.520 1.227 0.619) 1.469 22.157 ( 1.053 4.343 -3.078) 5.426 22.280 ( -8.157 5.834 -4.822) 11.128 23.151 ( 6.310 -4.789 4.454) 9.088 23.253 ( -2.911 -7.244 7.112) 10.561 23.549 ( 8.330 1.922 2.688) 8.962 23.745 ( -9.529 -5.591 5.892) 12.521 24.203 ( 1.066 3.290 8.977) 9.620 24.245 ( -2.770 1.220 9.091) 9.582 25.010 ( 4.616 -1.105 -8.152) 9.433 25.044 ( 1.481 -0.842 -1.789) 2.471 25.106 ( 0.648 2.277 -6.797) 7.198 25.129 ( -0.072 1.129 -9.126) 9.196 25.281 ( 1.372 1.126 -5.349) 5.636 25.350 ( -5.644 -0.329 -8.972) 10.605 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 9.964 15.781) 18.663 1.588 ( 0.000 1.367 14.256) 14.321 2.030 ( 0.000 3.262 22.878) 23.110 2.077 ( 0.000 6.158 12.408) 13.852 2.212 ( 0.000 2.131 6.235) 6.590 2.259 ( 0.000 -3.295 18.913) 19.198 2.535 ( 0.000 13.867 9.490) 16.803 2.878 ( 0.000 -13.899 -0.913) 13.929 2.951 ( 0.000 4.585 7.736) 8.993 2.999 ( 0.000 -5.346 12.020) 13.155 3.172 ( 0.000 -4.937 -1.743) 5.235 3.186 ( 0.000 -7.600 3.426) 8.337 3.333 ( 0.000 15.911 -6.153) 17.059 3.666 ( 0.000 -15.882 -3.114) 16.185 3.833 ( 0.000 2.467 9.640) 9.950 3.905 ( 0.000 -4.941 8.739) 10.039 4.026 ( 0.000 4.087 -10.521) 11.287 4.078 ( 0.000 -1.554 -6.587) 6.768 4.512 ( 0.000 3.020 -4.927) 5.778 4.543 ( 0.000 4.400 -5.908) 7.367 4.563 ( 0.000 0.645 -8.481) 8.506 4.586 ( 0.000 -2.633 0.224) 2.642 4.763 ( 0.000 0.574 -4.380) 4.417 4.796 ( 0.000 -1.790 -0.563) 1.877 4.904 ( 0.000 3.763 1.470) 4.040 4.944 ( 0.000 -2.509 -1.408) 2.877 5.293 ( 0.000 0.188 -1.096) 1.112 5.315 ( 0.000 -1.300 -3.937) 4.146 5.570 ( 0.000 7.531 -0.817) 7.575 5.665 ( 0.000 -2.347 -1.073) 2.581 5.669 ( 0.000 9.840 -2.222) 10.088 5.867 ( 0.000 -6.996 -1.685) 7.196 5.994 ( 0.000 -3.846 14.340) 14.847 6.028 ( 0.000 -3.945 8.424) 9.302 6.708 ( 0.000 0.993 -1.665) 1.939 6.727 ( 0.000 -0.654 6.426) 6.459 6.943 ( 0.000 3.779 -2.573) 4.572 7.079 ( 0.000 -9.308 3.346) 9.891 7.353 ( 0.000 0.657 8.330) 8.355 7.395 ( 0.000 -4.811 7.669) 9.053 8.070 ( 0.000 5.045 -12.771) 13.731 8.117 ( 0.000 0.760 -14.315) 14.335 8.338 ( 0.000 16.036 -8.051) 17.943 8.423 ( 0.000 12.825 2.587) 13.084 8.625 ( 0.000 -8.868 -8.628) 12.373 8.734 ( 0.000 -16.474 1.772) 16.569 8.888 ( 0.000 8.811 -9.427) 12.903 9.112 ( 0.000 -11.677 -6.126) 13.186 9.513 ( 0.000 7.467 -6.600) 9.965 9.616 ( 0.000 -3.771 -0.182) 3.776 9.679 ( 0.000 -0.426 1.311) 1.379 9.698 ( 0.000 -0.005 6.865) 6.865 9.717 ( 0.000 -0.789 -2.771) 2.881 9.755 ( 0.000 -2.436 8.710) 9.044 10.753 ( 0.000 5.357 -8.051) 9.670 10.805 ( 0.000 -0.408 -7.517) 7.528 11.249 ( 0.000 9.773 6.736) 11.870 11.395 ( 0.000 -3.495 3.417) 4.888 11.527 ( 0.000 3.335 2.960) 4.459 11.635 ( 0.000 -5.976 2.198) 6.367 11.855 ( 0.000 10.239 5.156) 11.464 12.076 ( 0.000 -11.519 2.795) 11.853 12.372 ( 0.000 4.984 -3.633) 6.168 12.482 ( 0.000 -6.606 -3.368) 7.415 12.891 ( 0.000 2.060 -1.298) 2.435 12.905 ( 0.000 0.293 -0.127) 0.319 13.068 ( 0.000 4.088 0.325) 4.101 13.134 ( 0.000 -2.043 0.084) 2.044 13.184 ( 0.000 2.275 6.491) 6.878 13.244 ( 0.000 -3.604 10.076) 10.701 13.954 ( 0.000 3.669 8.175) 8.960 14.070 ( 0.000 -8.643 6.328) 10.712 14.731 ( 0.000 3.962 5.653) 6.904 14.756 ( 0.000 2.065 2.516) 3.255 14.970 ( 0.000 -1.454 -7.325) 7.468 15.004 ( 0.000 -5.182 -4.957) 7.171 15.421 ( 0.000 9.695 4.024) 10.497 15.619 ( 0.000 -10.538 9.373) 14.103 16.288 ( 0.000 16.905 -14.040) 21.975 16.704 ( 0.000 -26.706 -8.650) 28.072 21.932 ( 0.000 3.855 1.696) 4.211 22.037 ( 0.000 -6.535 1.514) 6.708 22.499 ( 0.000 6.861 -11.747) 13.604 22.597 ( 0.000 -3.365 -11.895) 12.361 23.041 ( 0.000 12.948 5.951) 14.250 23.288 ( 0.000 -12.063 8.531) 14.775 23.496 ( 0.000 20.521 -2.342) 20.654 23.833 ( 0.000 -14.802 0.728) 14.820 24.304 ( 0.000 4.059 11.381) 12.083 24.404 ( 0.000 -6.064 10.322) 11.972 24.745 ( 0.000 6.533 -0.005) 6.533 24.848 ( 0.000 -4.155 -0.050) 4.155 25.036 ( 0.000 1.461 -5.353) 5.549 25.062 ( 0.000 -1.207 -6.371) 6.485 25.397 ( 0.000 9.967 -16.533) 19.305 25.553 ( 0.000 -6.221 -17.828) 18.882 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 1.613 11.789 16.407) 20.267 1.575 ( 0.186 6.167 14.569) 15.821 1.803 ( -6.591 -8.021 14.193) 17.584 2.028 ( -2.163 -1.630 6.387) 6.938 2.306 ( 9.231 12.031 5.530) 16.141 2.560 ( 9.088 -4.130 15.727) 18.627 2.658 ( 8.083 9.145 6.677) 13.912 2.767 ( -2.455 -0.254 4.039) 4.734 2.963 ( 6.182 -12.287 0.698) 13.772 3.076 ( 0.746 5.290 5.949) 7.996 3.172 ( -0.490 -4.538 -2.399) 5.156 3.218 ( 0.268 -5.576 6.586) 8.634 3.399 ( 4.506 10.627 -3.018) 11.931 3.613 ( -10.289 -2.451 1.936) 10.753 3.700 ( 1.241 -10.132 -2.210) 10.445 3.849 ( -2.391 -1.720 3.510) 4.583 4.115 ( 4.013 1.883 -5.135) 6.784 4.233 ( 8.698 0.292 -4.301) 9.708 4.413 ( -5.689 -1.313 -11.367) 12.779 4.474 ( -2.624 4.930 -2.325) 6.050 4.577 ( -1.478 -4.157 -2.324) 4.987 4.648 ( -0.053 5.072 -2.186) 5.524 4.706 ( -2.158 1.445 2.614) 3.684 4.817 ( 2.844 6.073 1.107) 6.797 4.881 ( -1.700 -2.399 -2.217) 3.682 5.081 ( 9.520 -1.035 -5.090) 10.845 5.232 ( -1.986 -3.282 -2.006) 4.329 5.307 ( -12.799 -1.102 3.295) 13.262 5.408 ( 3.168 0.969 -4.483) 5.575 5.640 ( -1.514 8.101 -2.095) 8.503 5.826 ( 0.217 0.238 2.601) 2.621 5.864 ( 5.880 -4.448 -1.694) 7.565 5.972 ( -1.561 0.291 9.913) 10.039 6.033 ( -0.416 -5.677 8.207) 9.988 6.639 ( -5.019 0.217 -1.047) 5.132 6.746 ( 0.348 0.513 3.432) 3.487 6.858 ( -4.819 -1.145 -2.532) 5.563 7.050 ( -7.148 -3.812 8.166) 11.503 7.362 ( 6.889 -1.129 5.457) 8.860 7.500 ( 6.142 -3.847 7.375) 10.340 7.914 ( -7.880 3.745 -10.214) 13.433 8.163 ( -0.100 3.864 -8.184) 9.051 8.239 ( -6.711 12.949 -9.525) 17.419 8.528 ( 5.657 4.803 -0.915) 7.477 8.702 ( -0.161 -7.254 -3.542) 8.074 8.737 ( 2.813 -7.813 1.732) 8.482 8.931 ( 5.112 5.099 -5.600) 9.137 9.113 ( 1.113 -8.644 -4.198) 9.674 9.433 ( -8.115 4.887 4.448) 10.465 9.525 ( -6.893 -3.629 3.095) 8.383 9.602 ( 1.983 2.543 0.705) 3.301 9.770 ( 7.024 -3.261 -9.292) 12.096 9.804 ( 3.448 2.396 2.795) 5.044 9.859 ( 3.433 -1.899 4.839) 6.230 10.696 ( -3.783 4.349 -8.349) 10.145 10.747 ( -3.581 -1.188 -7.481) 8.378 11.198 ( -3.436 8.286 7.365) 11.606 11.385 ( -1.216 -7.781 5.411) 9.556 11.676 ( 8.819 2.744 -4.141) 10.122 11.756 ( 7.481 -2.279 -0.162) 7.822 11.831 ( 3.170 8.216 -1.748) 8.978 12.111 ( 2.199 -7.792 3.715) 8.908 12.357 ( -0.744 2.415 -5.795) 6.322 12.494 ( 0.079 -3.121 -2.112) 3.770 12.812 ( -3.280 0.240 -0.044) 3.289 12.854 ( -5.213 -0.113 0.386) 5.228 13.095 ( -5.896 0.400 6.059) 8.464 13.113 ( 2.253 2.749 -2.117) 4.137 13.175 ( 2.008 0.479 -4.770) 5.198 13.318 ( 5.273 -1.657 10.273) 11.666 13.753 ( -11.659 -0.025 4.312) 12.430 13.933 ( -16.624 -1.756 7.622) 18.372 14.650 ( -0.302 0.793 0.825) 1.184 14.756 ( 0.125 1.355 0.902) 1.633 14.823 ( -0.983 -1.829 -0.218) 2.088 15.172 ( -7.813 1.019 -8.294) 11.440 15.625 ( 20.910 -2.819 7.800) 22.495 15.677 ( 4.064 -0.725 3.620) 5.491 16.264 ( 0.138 6.278 -12.362) 13.866 16.791 ( 5.368 -16.998 -6.885) 19.109 21.934 ( 1.156 2.694 0.453) 2.967 22.087 ( 3.334 -4.413 1.746) 5.800 22.329 ( -9.324 3.768 -8.586) 13.223 22.693 ( 1.766 0.832 -11.640) 11.802 23.016 ( -1.492 9.433 6.882) 11.771 23.242 ( -3.285 -6.398 8.359) 11.027 23.503 ( 0.672 14.316 -1.460) 14.406 23.818 ( -3.021 -13.838 1.886) 14.289 24.183 ( -4.186 -1.249 10.785) 11.636 24.437 ( -1.146 0.774 10.110) 10.204 24.817 ( 5.387 3.423 -1.224) 6.499 24.890 ( 3.465 -2.777 -0.250) 4.447 25.053 ( 1.755 1.090 -6.988) 7.287 25.086 ( 1.931 -0.430 -5.666) 6.001 25.365 ( -2.154 7.126 -13.776) 15.659 25.536 ( -2.302 -4.279 -17.077) 17.754 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 8.667 13.176 5.616) 16.741 1.703 ( 10.301 0.530 11.301) 15.301 1.809 ( 5.646 -9.415 3.817) 11.623 2.041 ( 2.947 -2.211 -0.173) 3.688 2.486 ( -6.687 -5.761 7.517) 11.594 2.535 ( 7.250 11.993 0.824) 14.038 2.728 ( 0.736 -1.077 0.236) 1.326 2.898 ( -0.512 6.467 -0.535) 6.509 2.954 ( -6.045 -2.810 2.330) 7.062 3.048 ( 1.596 -4.736 -0.178) 5.001 3.219 ( 2.035 1.732 4.316) 5.076 3.282 ( 1.851 -1.953 1.422) 3.044 3.366 ( 5.048 1.191 1.667) 5.448 3.548 ( -3.525 4.984 -0.385) 6.116 3.728 ( 3.440 -7.875 -1.017) 8.654 3.871 ( 2.013 -1.854 -2.269) 3.555 4.075 ( -5.180 -0.169 -7.858) 9.414 4.322 ( -1.744 4.631 -5.898) 7.699 4.398 ( 3.105 -1.074 -4.224) 5.351 4.425 ( -3.000 5.249 -3.658) 7.066 4.517 ( -6.314 -1.959 -2.230) 6.977 4.591 ( -1.082 2.094 0.652) 2.446 4.712 ( 2.060 2.917 -2.764) 4.516 4.854 ( 0.981 2.460 2.139) 3.404 4.866 ( -1.000 3.170 3.614) 4.910 5.042 ( -4.657 -6.057 1.035) 7.710 5.226 ( 1.352 -5.178 0.115) 5.353 5.330 ( 8.322 -0.799 -3.142) 8.931 5.476 ( 2.553 -0.256 -2.140) 3.341 5.673 ( 5.689 5.505 -0.921) 7.970 5.748 ( -4.083 -0.961 5.353) 6.800 5.930 ( -2.702 1.094 8.422) 8.912 5.976 ( -1.147 -3.797 3.023) 4.987 6.044 ( 5.659 -2.289 -0.169) 6.106 6.496 ( -8.210 0.445 -2.855) 8.703 6.658 ( -12.288 -1.087 -9.631) 15.650 6.809 ( 1.846 3.063 10.924) 11.494 6.920 ( -2.295 -7.093 7.472) 10.555 7.563 ( 10.452 2.619 6.494) 12.581 7.651 ( 8.224 -2.749 6.964) 11.121 7.803 ( -2.014 1.777 -5.410) 6.040 8.064 ( -6.208 1.820 -6.031) 8.845 8.193 ( 0.708 9.646 -5.251) 11.005 8.549 ( -4.236 -7.567 1.833) 8.864 8.595 ( -7.761 -1.524 1.281) 8.012 8.779 ( -3.182 -3.568 2.647) 5.465 8.943 ( -3.702 0.226 12.097) 12.653 9.200 ( 7.473 3.310 -0.928) 8.225 9.342 ( -0.140 6.923 2.279) 7.290 9.491 ( 3.449 -6.128 -2.176) 7.360 9.679 ( 4.102 5.478 -1.905) 7.104 9.812 ( 0.431 -2.111 4.583) 5.064 9.847 ( -1.754 0.167 -0.582) 1.856 9.930 ( 3.412 -1.939 -5.882) 7.071 10.646 ( -0.626 3.585 -11.967) 12.508 10.709 ( -0.372 -1.700 -10.134) 10.283 11.140 ( -1.629 4.049 6.561) 7.880 11.322 ( -4.968 -10.642 6.665) 13.504 11.741 ( 0.847 3.327 -1.695) 3.829 11.853 ( 6.570 -0.464 -9.564) 11.613 12.053 ( 2.044 4.908 -0.310) 5.326 12.188 ( 11.150 -2.813 -10.120) 15.318 12.339 ( -1.990 -0.141 -10.426) 10.615 12.473 ( -1.285 0.068 -3.303) 3.545 12.744 ( -3.851 -0.828 1.445) 4.196 12.811 ( 2.741 -0.355 -0.968) 2.929 12.952 ( -6.933 1.361 1.042) 7.142 13.104 ( -2.377 0.016 -5.207) 5.724 13.262 ( 5.360 3.155 -3.747) 7.261 13.400 ( 1.279 -0.863 5.779) 5.982 13.551 ( -7.556 0.259 2.471) 7.954 13.601 ( -11.858 -1.054 3.879) 12.521 14.636 ( -1.372 0.408 1.518) 2.086 14.734 ( -2.257 -1.211 -2.423) 3.526 14.825 ( -0.742 1.590 -1.890) 2.579 14.968 ( -9.309 -1.348 -5.028) 10.665 15.798 ( 8.711 2.888 2.900) 9.625 15.983 ( 11.182 -6.024 4.149) 13.362 16.332 ( 6.139 0.971 -8.286) 10.358 16.838 ( -1.753 -8.851 -4.855) 10.246 21.993 ( 4.117 2.501 -0.797) 4.883 22.123 ( -0.851 1.488 1.069) 2.020 22.191 ( -2.713 0.221 -4.279) 5.071 22.599 ( -9.419 3.867 -6.016) 11.827 23.023 ( 1.956 2.135 6.583) 7.191 23.184 ( -2.276 -3.339 7.683) 8.681 23.526 ( 1.590 7.560 -0.532) 7.744 23.718 ( -4.909 -11.116 3.339) 12.602 24.177 ( 2.045 -1.404 9.592) 9.908 24.375 ( -3.904 2.415 9.639) 10.676 24.916 ( 3.928 0.718 -3.997) 5.650 24.970 ( 3.802 -0.958 -1.107) 4.074 25.105 ( 2.822 0.896 -9.355) 9.812 25.127 ( 1.592 0.494 -5.158) 5.421 25.330 ( -1.241 3.907 -9.212) 10.083 25.447 ( -5.791 -2.712 -13.364) 14.815 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( 15.905 6.667 -4.444) 17.809 1.959 ( 13.062 -2.227 6.115) 14.594 1.998 ( 9.820 -5.188 -3.206) 11.559 2.081 ( -0.950 -0.225 -5.681) 5.765 2.298 ( -10.172 -6.144 6.505) 13.548 2.402 ( -16.702 -0.878 -4.688) 17.369 2.691 ( 0.828 1.857 -2.367) 3.120 2.788 ( -7.226 3.690 -3.772) 8.948 3.076 ( 11.768 2.773 3.036) 12.466 3.118 ( 4.117 -0.951 2.299) 4.810 3.184 ( -1.967 0.975 2.309) 3.186 3.283 ( -3.114 4.491 2.154) 5.874 3.470 ( 0.111 2.359 -0.970) 2.553 3.504 ( -0.765 1.268 -0.683) 1.631 3.792 ( 3.921 -5.825 -5.562) 8.958 3.871 ( -2.144 -1.954 -5.883) 6.559 4.058 ( 3.479 0.146 -3.523) 4.953 4.184 ( -8.488 3.014 -5.215) 10.408 4.348 ( -2.367 2.713 -1.567) 3.927 4.370 ( -4.088 1.222 -2.878) 5.146 4.489 ( 4.885 -0.913 -1.582) 5.215 4.611 ( -3.983 2.677 0.459) 4.821 4.713 ( 0.318 6.325 -0.900) 6.396 4.750 ( -1.714 3.964 -2.533) 5.007 4.988 ( 5.002 -6.591 6.292) 10.394 5.038 ( 0.276 -8.841 3.783) 9.621 5.308 ( 6.485 -1.219 1.465) 6.759 5.406 ( -0.759 0.317 0.112) 0.831 5.529 ( 2.378 1.137 -1.012) 2.823 5.609 ( -5.200 1.079 1.279) 5.462 5.863 ( -0.966 2.870 2.584) 3.981 5.885 ( -0.590 0.126 7.486) 7.510 5.987 ( 12.350 -1.983 -0.595) 12.522 6.185 ( 6.707 -2.333 -1.692) 7.300 6.307 ( -12.131 1.981 -2.297) 12.504 6.357 ( -11.917 -3.239 -5.460) 13.503 6.864 ( 2.627 0.641 7.579) 8.047 6.902 ( -0.881 -3.463 4.874) 6.044 7.710 ( 3.887 8.577 0.139) 9.418 7.771 ( -0.707 5.634 1.928) 5.996 7.894 ( 10.930 -6.558 7.079) 14.580 8.007 ( 0.447 -7.703 0.444) 7.728 8.227 ( 3.100 8.336 1.017) 8.952 8.394 ( -11.143 3.888 4.884) 12.772 8.443 ( -2.678 -10.849 2.490) 11.449 8.540 ( -11.847 -6.542 7.978) 15.710 9.034 ( 8.337 3.353 9.702) 13.224 9.200 ( -6.198 2.783 10.737) 12.707 9.458 ( 7.581 8.764 -1.436) 11.677 9.546 ( -0.234 1.034 -1.474) 1.816 9.723 ( 1.513 0.529 -1.974) 2.543 9.788 ( -3.493 2.037 -1.109) 4.193 9.878 ( 4.804 -3.276 -2.868) 6.483 9.950 ( -1.464 -1.332 -4.387) 4.812 10.661 ( 1.686 1.579 -12.951) 13.156 10.697 ( -1.274 0.065 -12.634) 12.698 11.137 ( 1.477 -2.874 5.572) 6.441 11.207 ( -5.038 -8.794 5.598) 11.578 11.807 ( 5.321 2.335 -0.942) 5.887 11.939 ( -5.349 1.664 -0.018) 5.602 12.039 ( 7.526 0.297 -12.814) 14.864 12.227 ( -8.269 -1.021 -13.682) 16.019 12.420 ( 6.706 1.083 -13.695) 15.287 12.469 ( 0.258 0.052 -7.171) 7.176 12.727 ( 2.393 0.144 -0.155) 2.402 12.819 ( -5.538 2.326 -1.715) 6.247 12.905 ( 5.447 1.010 -2.854) 6.232 13.023 ( -5.311 0.476 -6.052) 8.066 13.369 ( 4.227 1.318 -2.025) 4.869 13.380 ( -0.017 0.691 1.778) 1.908 13.434 ( -4.288 -0.384 0.830) 4.384 13.458 ( -3.752 -0.614 1.332) 4.028 14.624 ( 0.820 0.156 -1.132) 1.406 14.673 ( -3.347 -0.257 -4.267) 5.429 14.795 ( -0.582 0.765 -2.898) 3.053 14.829 ( -3.923 -2.184 -3.098) 5.455 15.993 ( 8.157 1.463 3.687) 9.070 16.089 ( -0.393 -2.934 3.915) 4.908 16.508 ( 10.184 -2.180 -5.367) 11.716 16.720 ( -8.930 -4.897 -4.115) 10.984 22.060 ( 1.771 2.455 0.788) 3.128 22.098 ( -1.454 3.112 1.666) 3.818 22.212 ( 5.318 1.259 -4.070) 6.814 22.382 ( -10.021 3.356 -4.035) 11.312 23.075 ( 2.890 -2.159 7.455) 8.282 23.135 ( -2.612 -3.855 7.504) 8.832 23.572 ( 2.744 1.373 0.419) 3.097 23.635 ( -3.266 -4.987 1.873) 6.248 24.229 ( 2.773 0.440 9.800) 10.194 24.295 ( -3.546 2.089 9.771) 10.602 24.994 ( 3.572 -0.430 -6.028) 7.020 25.028 ( 1.067 -0.519 -2.963) 3.192 25.142 ( 0.359 1.116 -8.290) 8.373 25.147 ( 0.355 0.526 -9.084) 9.107 25.309 ( -0.458 1.602 -6.177) 6.398 25.337 ( -3.531 -1.050 -7.704) 8.540 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 0.000 0.000 23.241) 23.241 1.831 ( 0.000 0.000 14.205) 14.205 1.967 ( 0.000 0.000 14.794) 14.794 2.140 ( 0.000 0.000 0.307) 0.307 2.466 ( 0.000 0.000 17.953) 17.953 2.568 ( 0.000 0.000 -0.764) 0.764 2.620 ( 0.000 0.000 0.152) 0.152 2.831 ( 0.000 0.000 6.483) 6.483 2.883 ( 0.000 0.000 -3.104) 3.104 2.906 ( 0.000 0.000 7.366) 7.366 3.325 ( 0.000 0.000 9.973) 9.973 3.514 ( 0.000 0.000 -0.509) 0.509 3.652 ( 0.000 0.000 -6.411) 6.411 3.868 ( 0.000 0.000 7.459) 7.459 3.959 ( 0.000 0.000 -11.463) 11.463 4.005 ( 0.000 0.000 9.128) 9.128 4.058 ( 0.000 0.000 -0.189) 0.189 4.166 ( 0.000 0.000 2.697) 2.697 4.290 ( 0.000 0.000 -2.981) 2.981 4.295 ( 0.000 0.000 -1.091) 1.091 4.307 ( 0.000 0.000 -13.060) 13.060 4.597 ( 0.000 0.000 -6.539) 6.539 4.648 ( 0.000 0.000 3.836) 3.836 4.809 ( 0.000 0.000 2.711) 2.711 4.886 ( 0.000 0.000 -0.048) 0.048 4.971 ( 0.000 0.000 -9.303) 9.303 4.983 ( 0.000 0.000 -2.835) 2.835 5.071 ( 0.000 0.000 -4.572) 4.572 5.442 ( 0.000 0.000 0.079) 0.079 5.473 ( 0.000 0.000 -0.919) 0.919 5.784 ( 0.000 0.000 5.297) 5.297 5.927 ( 0.000 0.000 -0.400) 0.400 6.300 ( 0.000 0.000 5.234) 5.234 6.460 ( 0.000 0.000 10.387) 10.387 6.480 ( 0.000 0.000 -7.994) 7.994 6.853 ( 0.000 0.000 -7.837) 7.837 7.206 ( 0.000 0.000 16.091) 16.091 7.349 ( 0.000 0.000 7.168) 7.168 7.487 ( 0.000 0.000 4.659) 4.659 7.710 ( 0.000 0.000 -8.208) 8.208 7.742 ( 0.000 0.000 -3.510) 3.510 7.765 ( 0.000 0.000 -8.975) 8.975 7.889 ( 0.000 0.000 5.935) 5.935 8.043 ( 0.000 0.000 -2.885) 2.885 8.357 ( 0.000 0.000 -8.920) 8.920 8.433 ( 0.000 0.000 -18.310) 18.310 9.232 ( 0.000 0.000 0.682) 0.682 9.275 ( 0.000 0.000 -2.644) 2.644 9.448 ( 0.000 0.000 7.428) 7.428 9.658 ( 0.000 0.000 -3.554) 3.554 9.685 ( 0.000 0.000 1.525) 1.525 9.730 ( 0.000 0.000 -0.288) 0.288 9.887 ( 0.000 0.000 5.262) 5.262 10.108 ( 0.000 0.000 13.564) 13.564 10.258 ( 0.000 0.000 -11.278) 11.278 10.599 ( 0.000 0.000 -9.937) 9.937 11.273 ( 0.000 0.000 14.176) 14.176 11.436 ( 0.000 0.000 2.958) 2.958 11.464 ( 0.000 0.000 0.945) 0.945 11.716 ( 0.000 0.000 -4.660) 4.660 11.947 ( 0.000 0.000 7.140) 7.140 12.197 ( 0.000 0.000 -3.586) 3.586 12.445 ( 0.000 0.000 4.652) 4.652 12.594 ( 0.000 0.000 -1.843) 1.843 12.739 ( 0.000 0.000 -3.210) 3.210 12.820 ( 0.000 0.000 -4.819) 4.819 12.931 ( 0.000 0.000 -0.375) 0.375 13.002 ( 0.000 0.000 -4.606) 4.606 13.385 ( 0.000 0.000 14.655) 14.655 13.664 ( 0.000 0.000 16.292) 16.292 13.940 ( 0.000 0.000 -5.194) 5.194 14.245 ( 0.000 0.000 -10.829) 10.829 14.624 ( 0.000 0.000 5.990) 5.990 14.690 ( 0.000 0.000 5.177) 5.177 14.956 ( 0.000 0.000 -6.697) 6.697 15.013 ( 0.000 0.000 -9.823) 9.823 15.221 ( 0.000 0.000 4.715) 4.715 15.584 ( 0.000 0.000 -16.346) 16.346 16.282 ( 0.000 0.000 20.435) 20.435 17.230 ( 0.000 0.000 -24.563) 24.563 21.977 ( 0.000 0.000 0.621) 0.621 22.040 ( 0.000 0.000 -2.640) 2.640 22.238 ( 0.000 0.000 2.068) 2.068 22.440 ( 0.000 0.000 -7.994) 7.994 22.747 ( 0.000 0.000 6.450) 6.450 22.933 ( 0.000 0.000 -1.112) 1.112 23.799 ( 0.000 0.000 12.413) 12.413 24.246 ( 0.000 0.000 -8.437) 8.437 24.377 ( 0.000 0.000 12.949) 12.949 24.651 ( 0.000 0.000 12.023) 12.023 24.680 ( 0.000 0.000 4.362) 4.362 24.881 ( 0.000 0.000 -3.830) 3.830 24.895 ( 0.000 0.000 -10.630) 10.630 24.962 ( 0.000 0.000 -0.115) 0.115 25.019 ( 0.000 0.000 -2.083) 2.083 25.295 ( 0.000 0.000 -18.316) 18.316 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -9.566 0.000 22.693) 24.627 1.796 ( 8.908 0.000 20.461) 22.316 2.053 ( 6.266 0.000 10.019) 11.817 2.127 ( -1.678 0.000 1.939) 2.564 2.277 ( -6.534 0.000 13.839) 15.304 2.583 ( 0.813 0.000 1.053) 1.330 2.745 ( 3.923 0.000 -9.894) 10.643 2.780 ( -5.146 0.000 0.372) 5.159 2.898 ( 4.145 0.000 7.653) 8.703 2.927 ( -1.074 0.000 -5.277) 5.386 3.279 ( -4.841 0.000 5.662) 7.449 3.590 ( 6.938 0.000 5.165) 8.650 3.678 ( -4.224 0.000 -9.311) 10.224 3.792 ( -5.755 0.000 -6.032) 8.337 3.863 ( -11.180 0.000 10.842) 15.573 3.949 ( 6.394 0.000 5.778) 8.618 4.021 ( -5.704 0.000 -1.051) 5.800 4.109 ( -1.766 0.000 1.874) 2.575 4.204 ( -3.665 0.000 -3.485) 5.057 4.313 ( -1.164 0.000 -3.181) 3.387 4.350 ( -7.789 0.000 -7.293) 10.670 4.448 ( 1.142 0.000 -9.493) 9.562 4.699 ( -1.401 0.000 6.043) 6.203 4.824 ( 5.861 0.000 3.742) 6.953 4.956 ( -6.645 0.000 -2.616) 7.142 5.059 ( 5.970 0.000 -3.471) 6.906 5.078 ( 12.109 0.000 -3.670) 12.653 5.092 ( 7.450 0.000 -7.571) 10.621 5.450 ( -1.716 0.000 0.445) 1.773 5.469 ( 1.688 0.000 -0.180) 1.697 5.863 ( 7.123 0.000 6.163) 9.419 5.993 ( 5.304 0.000 0.167) 5.306 6.208 ( -7.943 0.000 5.177) 9.481 6.336 ( -8.845 0.000 0.132) 8.846 6.483 ( -1.900 0.000 1.605) 2.487 6.794 ( -5.995 0.000 -7.849) 9.876 7.157 ( -4.251 0.000 14.823) 15.420 7.304 ( -2.786 0.000 1.627) 3.226 7.360 ( -10.106 0.000 -2.492) 10.409 7.647 ( -4.359 0.000 -9.137) 10.124 7.791 ( 8.858 0.000 7.673) 11.719 7.876 ( 9.751 0.000 6.665) 11.812 7.995 ( 5.836 0.000 4.142) 7.156 8.211 ( 11.870 0.000 -4.795) 12.802 8.431 ( 7.330 0.000 -9.793) 12.233 8.600 ( 13.789 0.000 -19.269) 23.695 9.230 ( -0.224 0.000 0.708) 0.743 9.262 ( -2.000 0.000 -1.490) 2.494 9.352 ( -8.013 0.000 6.335) 10.214 9.573 ( -6.964 0.000 -4.096) 8.079 9.669 ( -1.770 0.000 1.076) 2.071 9.711 ( -2.987 0.000 2.890) 4.156 9.873 ( 0.122 0.000 2.408) 2.411 10.132 ( 1.316 0.000 12.571) 12.640 10.229 ( -2.063 0.000 -11.852) 12.031 10.609 ( 0.155 0.000 -9.241) 9.242 11.285 ( 1.789 0.000 12.053) 12.185 11.501 ( 3.118 0.000 0.349) 3.137 11.502 ( 5.654 0.000 1.248) 5.790 11.736 ( 1.825 0.000 -5.443) 5.741 11.910 ( -3.330 0.000 6.393) 7.208 12.155 ( -3.976 0.000 -3.741) 5.460 12.423 ( -2.273 0.000 2.356) 3.274 12.504 ( -6.644 0.000 -2.580) 7.127 12.775 ( 1.497 0.000 -0.055) 1.498 12.836 ( 1.045 0.000 -3.026) 3.202 12.946 ( 1.168 0.000 -2.343) 2.618 13.005 ( 0.086 0.000 -6.163) 6.164 13.317 ( -6.639 0.000 14.025) 15.517 13.579 ( -6.937 0.000 11.702) 13.604 13.793 ( -11.897 0.000 -3.075) 12.288 13.946 ( -19.712 0.000 -4.564) 20.234 14.677 ( 2.459 0.000 -0.604) 2.532 14.684 ( -1.195 0.000 1.922) 2.263 14.859 ( -7.080 0.000 -4.077) 8.170 14.944 ( -1.117 0.000 -6.812) 6.903 15.615 ( 23.915 0.000 -4.251) 24.290 15.616 ( 4.902 0.000 -5.097) 7.071 16.333 ( 3.441 0.000 15.646) 16.020 17.171 ( -5.638 0.000 -21.857) 22.573 21.946 ( -2.146 0.000 0.568) 2.220 21.969 ( -3.675 0.000 -0.293) 3.687 22.282 ( 1.098 0.000 -1.114) 1.564 22.386 ( -4.844 0.000 -4.526) 6.629 22.852 ( 8.929 0.000 4.548) 10.021 23.021 ( 8.258 0.000 -1.013) 8.320 23.795 ( -0.946 0.000 14.214) 14.246 24.307 ( -4.681 0.000 9.612) 10.691 24.324 ( 6.062 0.000 -6.526) 8.907 24.536 ( -9.830 0.000 -3.167) 10.327 24.616 ( -3.105 0.000 11.234) 11.655 24.949 ( 4.978 0.000 -1.786) 5.289 24.958 ( 1.415 0.000 -4.420) 4.641 24.973 ( 1.022 0.000 -0.005) 1.022 25.035 ( 3.135 0.000 -5.630) 6.444 25.276 ( -1.891 0.000 -16.606) 16.713 ======================= Grid point 107 (39/60) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -1.695 0.000 19.709) 19.781 1.960 ( 1.449 0.000 5.650) 5.833 2.115 ( 5.029 0.000 10.481) 11.625 2.135 ( 0.537 0.000 2.370) 2.431 2.307 ( 7.198 0.000 10.988) 13.136 2.597 ( 0.203 0.000 -0.435) 0.480 2.668 ( -7.426 0.000 -7.943) 10.874 2.756 ( -4.958 0.000 -7.941) 9.362 2.892 ( 0.562 0.000 -8.640) 8.658 2.919 ( -0.120 0.000 0.038) 0.126 3.181 ( -2.905 0.000 1.469) 3.255 3.448 ( -11.505 0.000 -3.815) 12.121 3.613 ( -9.265 0.000 12.489) 15.551 3.707 ( -0.500 0.000 4.856) 4.881 3.799 ( -1.732 0.000 -1.480) 2.278 3.892 ( -0.721 0.000 -0.823) 1.094 4.084 ( -8.119 0.000 -8.530) 11.776 4.095 ( 7.188 0.000 -2.841) 7.729 4.166 ( -0.881 0.000 0.157) 0.895 4.196 ( 3.352 0.000 3.003) 4.500 4.296 ( 0.705 0.000 -3.938) 4.001 4.497 ( 0.233 0.000 -6.828) 6.832 4.609 ( -4.568 0.000 3.718) 5.890 4.773 ( -9.499 0.000 -3.419) 10.096 5.066 ( 15.212 0.000 4.770) 15.942 5.209 ( 6.693 0.000 -0.671) 6.726 5.275 ( 9.690 0.000 -4.895) 10.856 5.279 ( 6.227 0.000 -2.090) 6.569 5.419 ( -1.009 0.000 0.855) 1.322 5.483 ( -0.404 0.000 -0.882) 0.970 5.993 ( -9.984 0.000 5.936) 11.615 6.050 ( 9.207 0.000 5.510) 10.730 6.117 ( -11.229 0.000 -1.608) 11.344 6.126 ( 5.020 0.000 -0.463) 5.041 6.423 ( -3.073 0.000 1.831) 3.577 6.606 ( -11.025 0.000 -6.033) 12.568 7.050 ( -5.455 0.000 12.291) 13.447 7.146 ( -9.249 0.000 0.801) 9.283 7.292 ( 2.025 0.000 -5.473) 5.835 7.580 ( -3.192 0.000 -10.224) 10.711 8.064 ( 16.514 0.000 16.219) 23.147 8.079 ( 8.158 0.000 15.282) 17.324 8.164 ( 11.013 0.000 4.815) 12.020 8.420 ( 7.987 0.000 -2.866) 8.486 8.662 ( 12.699 0.000 -9.978) 16.150 8.862 ( 7.462 0.000 -10.702) 13.047 9.121 ( -10.485 0.000 5.691) 11.931 9.205 ( -6.079 0.000 3.154) 6.849 9.242 ( 2.054 0.000 -1.925) 2.815 9.410 ( -6.880 0.000 -5.517) 8.819 9.588 ( -8.438 0.000 5.106) 9.862 9.631 ( -1.583 0.000 -2.178) 2.693 9.918 ( 3.866 0.000 -0.553) 3.906 10.139 ( -0.746 0.000 9.946) 9.974 10.210 ( 1.103 0.000 -13.245) 13.291 10.572 ( -4.037 0.000 -9.020) 9.882 11.366 ( 5.998 0.000 7.697) 9.758 11.567 ( 2.661 0.000 -0.496) 2.707 11.654 ( 8.767 0.000 -3.490) 9.436 11.761 ( -2.015 0.000 -0.787) 2.164 11.857 ( 1.426 0.000 -1.917) 2.389 12.023 ( -8.867 0.000 -2.747) 9.283 12.329 ( -7.238 0.000 -4.155) 8.346 12.346 ( -8.473 0.000 -4.819) 9.747 12.792 ( 0.873 0.000 3.041) 3.164 12.846 ( -0.277 0.000 -0.668) 0.723 12.924 ( -4.706 0.000 0.910) 4.793 12.990 ( -1.917 0.000 -5.927) 6.229 13.196 ( -0.677 0.000 5.205) 5.249 13.433 ( -6.263 0.000 4.072) 7.470 13.522 ( -12.270 0.000 -4.125) 12.945 13.630 ( -10.736 0.000 -1.975) 10.916 14.645 ( -2.102 0.000 -0.259) 2.117 14.698 ( 0.669 0.000 -3.560) 3.622 14.732 ( -5.025 0.000 0.008) 5.025 14.902 ( -3.047 0.000 -5.825) 6.574 15.810 ( 12.477 0.000 5.285) 13.550 16.074 ( 19.536 0.000 -7.679) 20.991 16.368 ( -0.879 0.000 10.222) 10.260 17.000 ( -10.489 0.000 -16.402) 19.469 21.922 ( 0.347 0.000 0.992) 1.051 21.943 ( 1.286 0.000 -0.408) 1.349 22.245 ( -4.203 0.000 -2.556) 4.919 22.252 ( -7.512 0.000 -1.090) 7.591 23.073 ( 11.487 0.000 4.788) 12.445 23.257 ( 13.712 0.000 -0.837) 13.737 23.723 ( -6.410 0.000 15.532) 16.803 24.233 ( -13.699 0.000 2.901) 14.003 24.258 ( 0.717 0.000 6.677) 6.716 24.532 ( -4.755 0.000 10.071) 11.137 24.541 ( 8.635 0.000 -15.681) 17.902 24.940 ( -2.216 0.000 -7.751) 8.061 25.003 ( 1.838 0.000 0.332) 1.868 25.039 ( 3.029 0.000 -0.584) 3.084 25.115 ( 3.112 0.000 -5.561) 6.372 25.223 ( -2.637 0.000 -11.595) 11.891 ======================= Grid point 108 (40/60) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 14.719 0.000 4.052) 15.267 1.969 ( 3.989 0.000 -4.856) 6.285 2.034 ( -12.195 0.000 -1.163) 12.250 2.137 ( -8.369 0.000 -3.995) 9.274 2.447 ( 5.733 0.000 3.656) 6.800 2.547 ( 3.879 0.000 -2.297) 4.508 2.577 ( -7.823 0.000 -2.966) 8.366 2.637 ( -1.545 0.000 -0.120) 1.550 2.978 ( 7.577 0.000 -2.712) 8.048 3.001 ( 6.768 0.000 3.894) 7.808 3.126 ( -4.005 0.000 2.649) 4.802 3.197 ( -12.321 0.000 1.870) 12.462 3.495 ( -0.240 0.000 7.860) 7.864 3.599 ( -7.965 0.000 4.086) 8.952 3.789 ( 2.460 0.000 -5.138) 5.697 3.893 ( -7.199 0.000 -9.733) 12.106 3.979 ( 6.593 0.000 0.112) 6.594 4.130 ( -5.772 0.000 2.797) 6.414 4.237 ( 5.027 0.000 -7.176) 8.762 4.273 ( 1.631 0.000 -0.555) 1.722 4.375 ( 7.611 0.000 1.200) 7.705 4.492 ( 1.623 0.000 -2.795) 3.232 4.547 ( -2.598 0.000 -0.366) 2.624 4.572 ( -9.879 0.000 -3.608) 10.518 5.322 ( 4.364 0.000 1.015) 4.480 5.341 ( 3.105 0.000 2.672) 4.097 5.365 ( 2.639 0.000 0.128) 2.642 5.396 ( -1.780 0.000 0.461) 1.839 5.451 ( 11.318 0.000 2.403) 11.571 5.559 ( 11.538 0.000 -3.932) 12.190 5.752 ( -13.360 0.000 4.247) 14.019 5.840 ( -13.922 0.000 -2.512) 14.147 6.240 ( 5.840 0.000 -1.252) 5.972 6.245 ( 7.652 0.000 2.126) 7.942 6.360 ( -3.574 0.000 0.481) 3.606 6.388 ( -8.864 0.000 -3.405) 9.496 6.964 ( -1.741 0.000 9.786) 9.939 6.998 ( -4.700 0.000 8.470) 9.687 7.374 ( 5.321 0.000 -9.164) 10.597 7.490 ( -5.286 0.000 -10.714) 11.947 8.248 ( 7.725 0.000 13.815) 15.828 8.332 ( 2.038 0.000 10.555) 10.750 8.434 ( 16.967 0.000 15.484) 22.970 8.567 ( 5.241 0.000 -1.422) 5.430 8.797 ( -1.800 0.000 -0.461) 1.858 8.892 ( -11.784 0.000 12.360) 17.077 8.940 ( 5.101 0.000 0.546) 5.130 9.131 ( -10.859 0.000 2.722) 11.195 9.165 ( 6.645 0.000 -0.389) 6.656 9.379 ( -11.105 0.000 1.218) 11.171 9.469 ( 8.080 0.000 -12.082) 14.535 9.589 ( -3.209 0.000 -7.235) 7.914 10.015 ( 4.844 0.000 1.663) 5.122 10.100 ( -3.033 0.000 5.845) 6.585 10.290 ( 6.290 0.000 -13.725) 15.098 10.445 ( -7.622 0.000 -11.235) 13.576 11.535 ( 10.188 0.000 4.081) 10.975 11.612 ( 2.116 0.000 0.281) 2.134 11.676 ( -4.146 0.000 2.030) 4.616 11.772 ( -10.055 0.000 1.507) 10.167 11.887 ( 9.055 0.000 -9.889) 13.408 11.969 ( 7.688 0.000 -8.959) 11.805 12.126 ( -11.504 0.000 -10.289) 15.433 12.154 ( -9.538 0.000 -8.715) 12.921 12.831 ( -0.746 0.000 1.608) 1.772 12.836 ( 3.457 0.000 2.226) 4.112 12.838 ( -1.983 0.000 4.070) 4.527 12.923 ( -4.234 0.000 -2.187) 4.765 13.279 ( 6.685 0.000 -2.743) 7.226 13.330 ( -2.851 0.000 -0.146) 2.855 13.346 ( -4.205 0.000 -4.746) 6.340 13.439 ( -8.322 0.000 -3.444) 9.006 14.620 ( 0.091 0.000 0.855) 0.860 14.651 ( -2.746 0.000 2.288) 3.574 14.738 ( 3.284 0.000 -2.954) 4.417 14.822 ( -4.294 0.000 -3.966) 5.845 16.078 ( 12.025 0.000 7.050) 13.939 16.283 ( -7.223 0.000 7.701) 10.558 16.439 ( 15.838 0.000 -9.351) 18.392 16.746 ( -13.573 0.000 -11.901) 18.051 21.970 ( 4.265 0.000 1.408) 4.491 22.012 ( 4.955 0.000 -1.649) 5.223 22.093 ( -7.190 0.000 0.839) 7.239 22.132 ( -6.044 0.000 -2.515) 6.546 23.314 ( 11.433 0.000 7.692) 13.780 23.543 ( -10.199 0.000 12.035) 15.775 23.572 ( 16.089 0.000 -0.388) 16.093 23.914 ( -16.231 0.000 0.554) 16.240 24.321 ( 4.538 0.000 7.759) 8.989 24.426 ( -5.237 0.000 9.089) 10.489 24.720 ( 7.933 0.000 -14.331) 16.380 24.862 ( -5.412 0.000 -12.665) 13.773 25.044 ( 1.852 0.000 0.130) 1.857 25.068 ( -0.108 0.000 -0.076) 0.132 25.158 ( 1.322 0.000 -5.182) 5.348 25.183 ( -1.282 0.000 -6.391) 6.518 ======================= Grid point 112 (41/60) ======================= q-point: ( 0.00 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.000 4.205 21.137) 21.551 1.852 ( 0.000 1.710 13.208) 13.318 2.073 ( 0.000 9.971 10.835) 14.724 2.195 ( 0.000 4.888 -0.764) 4.948 2.463 ( 0.000 0.491 20.274) 20.280 2.558 ( 0.000 1.806 2.487) 3.074 2.737 ( 0.000 6.010 10.459) 12.063 2.856 ( 0.000 4.329 -3.260) 5.419 2.893 ( 0.000 0.925 -1.953) 2.160 2.963 ( 0.000 6.658 5.930) 8.917 3.300 ( 0.000 -2.912 9.560) 9.994 3.391 ( 0.000 -10.396 1.872) 10.563 3.664 ( 0.000 -16.463 9.441) 18.978 3.702 ( 0.000 3.730 -8.517) 9.298 3.881 ( 0.000 -9.820 -7.767) 12.521 3.991 ( 0.000 -1.785 5.354) 5.643 4.038 ( 0.000 -3.438 -2.033) 3.994 4.058 ( 0.000 -4.140 1.350) 4.354 4.278 ( 0.000 -0.066 -12.033) 12.033 4.349 ( 0.000 0.335 -9.150) 9.157 4.354 ( 0.000 5.192 -1.079) 5.303 4.614 ( 0.000 1.560 -7.180) 7.348 4.682 ( 0.000 1.638 5.849) 6.074 4.814 ( 0.000 -1.652 1.957) 2.561 4.894 ( 0.000 7.249 6.094) 9.470 4.983 ( 0.000 -3.913 -4.153) 5.706 5.100 ( 0.000 4.485 -9.094) 10.140 5.123 ( 0.000 9.578 -5.195) 10.896 5.450 ( 0.000 2.341 1.025) 2.555 5.508 ( 0.000 3.592 -1.476) 3.883 5.748 ( 0.000 -3.267 4.370) 5.456 5.913 ( 0.000 -2.293 -1.938) 3.003 6.252 ( 0.000 -3.138 6.197) 6.946 6.420 ( 0.000 -4.301 11.898) 12.652 6.535 ( 0.000 4.384 -7.078) 8.326 6.810 ( 0.000 -3.820 -7.160) 8.115 7.061 ( 0.000 -6.185 15.535) 16.721 7.385 ( 0.000 -8.866 6.171) 10.802 7.496 ( 0.000 6.162 9.871) 11.636 7.701 ( 0.000 1.722 -14.152) 14.256 7.711 ( 0.000 -8.527 9.572) 12.819 7.801 ( 0.000 1.809 -11.543) 11.684 7.895 ( 0.000 11.217 -7.662) 13.584 8.208 ( 0.000 10.705 -2.269) 10.943 8.436 ( 0.000 2.254 -17.284) 17.430 8.470 ( 0.000 7.967 -5.974) 9.958 9.061 ( 0.000 -14.153 0.682) 14.170 9.187 ( 0.000 -9.467 -5.388) 10.893 9.457 ( 0.000 1.355 6.281) 6.426 9.645 ( 0.000 -0.960 -3.267) 3.406 9.708 ( 0.000 -2.815 0.515) 2.862 9.713 ( 0.000 0.700 0.787) 1.054 9.870 ( 0.000 0.597 9.564) 9.583 10.085 ( 0.000 -2.338 13.663) 13.861 10.369 ( 0.000 8.857 -12.528) 15.343 10.598 ( 0.000 -0.167 -10.796) 10.797 11.321 ( 0.000 4.524 12.697) 13.479 11.449 ( 0.000 1.664 2.798) 3.255 11.497 ( 0.000 2.932 0.103) 2.934 11.707 ( 0.000 -1.268 -3.554) 3.773 11.934 ( 0.000 -0.384 8.041) 8.051 12.215 ( 0.000 1.807 -4.842) 5.168 12.344 ( 0.000 -8.958 4.069) 9.839 12.531 ( 0.000 -6.564 -3.971) 7.672 12.790 ( 0.000 4.834 -1.253) 4.994 12.890 ( 0.000 6.239 -4.651) 7.782 12.924 ( 0.000 0.476 1.570) 1.640 13.054 ( 0.000 3.072 -4.055) 5.087 13.395 ( 0.000 1.214 14.994) 15.043 13.628 ( 0.000 -3.604 16.032) 16.432 13.946 ( 0.000 0.789 -5.234) 5.293 14.182 ( 0.000 -5.662 -8.348) 10.087 14.670 ( 0.000 4.030 3.378) 5.259 14.733 ( 0.000 4.168 4.421) 6.076 14.913 ( 0.000 -3.537 -4.691) 5.875 14.990 ( 0.000 -2.307 -8.271) 8.587 15.316 ( 0.000 8.901 4.385) 9.922 15.684 ( 0.000 10.573 -15.627) 18.868 16.161 ( 0.000 -11.968 18.486) 22.022 16.977 ( 0.000 -23.505 -19.253) 30.384 21.949 ( 0.000 0.084 2.984) 2.985 22.148 ( 0.000 7.228 -6.875) 9.976 22.193 ( 0.000 -4.287 2.739) 5.087 22.425 ( 0.000 -1.693 -8.621) 8.786 22.895 ( 0.000 13.137 5.528) 14.253 23.074 ( 0.000 14.666 -1.683) 14.763 23.714 ( 0.000 -8.654 11.753) 14.596 24.087 ( 0.000 -12.207 -3.511) 12.702 24.462 ( 0.000 4.708 10.089) 11.134 24.658 ( 0.000 -2.102 6.146) 6.495 24.686 ( 0.000 3.676 7.986) 8.791 24.889 ( 0.000 0.367 -2.889) 2.912 24.904 ( 0.000 0.717 -9.364) 9.391 24.942 ( 0.000 -1.814 -1.004) 2.073 25.044 ( 0.000 2.590 -5.225) 5.832 25.270 ( 0.000 -2.534 -17.653) 17.834 ======================= Grid point 113 (42/60) ======================= q-point: ( 0.14 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( -5.155 5.063 21.089) 22.292 1.826 ( 4.229 2.646 17.405) 18.106 2.131 ( 1.380 4.844 8.809) 10.147 2.148 ( -3.858 2.638 4.338) 6.377 2.296 ( -2.292 3.058 13.489) 14.020 2.607 ( 1.855 2.977 1.655) 3.878 2.765 ( -2.954 2.101 -0.911) 3.738 2.827 ( -0.741 2.030 -3.330) 3.970 2.930 ( 0.204 7.270 0.194) 7.275 2.981 ( 2.303 2.826 -0.952) 3.767 3.240 ( -5.146 -3.187 3.777) 7.135 3.441 ( 3.970 -11.424 4.057) 12.757 3.663 ( -3.427 -9.161 5.370) 11.158 3.698 ( -11.078 -6.385 -4.347) 13.504 3.771 ( 2.448 -2.451 -0.614) 3.518 3.851 ( -0.352 -5.282 1.948) 5.640 4.039 ( -2.232 -1.619 -4.325) 5.129 4.150 ( 2.164 2.799 1.009) 3.679 4.255 ( -2.909 -1.587 -8.658) 9.270 4.326 ( -2.168 6.075 0.490) 6.469 4.407 ( 3.342 3.954 -7.472) 9.091 4.535 ( -2.511 7.583 -5.157) 9.508 4.718 ( -5.645 -0.164 4.441) 7.184 4.803 ( 7.265 1.379 5.724) 9.352 4.914 ( -6.428 -4.126 -2.804) 8.136 5.015 ( 9.932 -0.895 -3.718) 10.643 5.155 ( 4.227 3.947 -4.662) 7.428 5.180 ( 4.301 6.106 -4.785) 8.870 5.426 ( -1.213 -1.576 1.672) 2.598 5.492 ( -0.258 2.374 -1.188) 2.667 5.850 ( 7.584 -0.865 4.150) 8.688 5.960 ( 3.869 -3.955 -0.826) 5.594 6.160 ( -7.594 -2.556 6.261) 10.169 6.338 ( -7.287 -1.745 6.098) 9.661 6.499 ( -3.398 1.924 -3.410) 5.184 6.740 ( -6.747 -4.735 -7.852) 11.384 7.093 ( 2.216 -4.473 15.522) 16.304 7.275 ( -8.224 0.096 6.049) 10.210 7.471 ( -3.785 5.580 0.620) 6.771 7.672 ( 0.456 -0.514 -4.645) 4.695 7.765 ( 3.094 -2.487 -0.657) 4.023 7.841 ( 7.824 0.077 5.359) 9.484 7.981 ( 5.117 2.232 -4.602) 7.235 8.355 ( 9.512 10.798 -0.058) 14.390 8.507 ( 7.268 3.757 -14.438) 16.594 8.590 ( 11.114 1.610 -12.228) 16.602 9.072 ( 0.331 -11.856 1.324) 11.934 9.185 ( -0.980 -7.930 -3.769) 8.834 9.400 ( -5.217 3.214 4.458) 7.577 9.561 ( -3.635 -1.732 -3.090) 5.076 9.671 ( -3.983 -0.749 2.186) 4.605 9.745 ( -0.144 3.376 0.083) 3.380 9.847 ( -0.347 -1.291 7.223) 7.346 10.109 ( 1.290 -2.103 12.184) 12.431 10.324 ( -3.384 7.731 -12.551) 15.125 10.597 ( -0.767 -1.261 -9.761) 9.872 11.298 ( -1.113 1.939 11.028) 11.253 11.503 ( 4.473 0.505 1.713) 4.817 11.554 ( 4.405 4.043 -1.212) 6.101 11.731 ( 2.406 -0.731 -4.545) 5.194 11.878 ( -4.937 -2.242 7.109) 8.941 12.172 ( -3.784 1.265 -5.239) 6.585 12.349 ( -0.494 -6.668 2.391) 7.101 12.487 ( -4.261 -2.526 -3.495) 6.062 12.781 ( -0.313 1.638 0.063) 1.669 12.879 ( -1.417 2.494 0.650) 2.941 12.943 ( 1.656 1.847 -4.317) 4.979 13.047 ( -0.952 2.472 -5.002) 5.660 13.324 ( -6.704 0.747 14.251) 15.767 13.574 ( -4.440 -0.709 11.639) 12.477 13.784 ( -12.025 -0.693 -2.931) 12.396 13.952 ( -17.947 0.424 -4.531) 18.515 14.667 ( 0.719 0.352 2.149) 2.294 14.723 ( -1.086 2.362 -0.591) 2.666 14.835 ( -4.562 -1.564 -2.640) 5.498 14.957 ( -3.028 0.510 -8.408) 8.951 15.628 ( 16.623 2.831 -1.442) 16.923 15.699 ( 7.808 7.191 -4.450) 11.510 16.242 ( 5.438 -8.688 12.731) 16.344 16.962 ( -1.960 -19.286 -17.648) 26.216 21.930 ( -0.794 0.767 2.234) 2.492 22.066 ( -4.774 6.519 -3.508) 8.809 22.227 ( 1.072 -3.929 1.252) 4.260 22.440 ( -0.788 2.521 -8.272) 8.684 22.942 ( 4.888 9.362 5.739) 12.020 23.129 ( 5.364 11.330 -1.446) 12.618 23.701 ( -1.586 -9.241 12.638) 15.737 24.106 ( 0.102 -13.670 -1.855) 13.796 24.393 ( -3.745 1.732 7.389) 8.463 24.575 ( -5.254 2.979 4.903) 7.779 24.689 ( -1.152 6.217 1.688) 6.544 24.925 ( 2.538 -2.075 -3.534) 4.820 24.945 ( 1.923 -1.966 -0.019) 2.750 24.972 ( 2.597 0.660 -3.543) 4.443 25.064 ( 2.624 2.486 -6.815) 7.715 25.257 ( -1.321 -1.855 -15.809) 15.972 ======================= Grid point 114 (43/60) ======================= q-point: ( 0.29 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.897 7.120 18.140) 19.701 1.961 ( 3.049 0.067 7.814) 8.389 2.052 ( -0.003 -3.963 9.862) 10.629 2.136 ( -0.195 -0.921 4.512) 4.609 2.400 ( 5.347 6.692 4.580) 9.714 2.636 ( -3.340 2.974 -2.572) 5.159 2.674 ( -3.267 0.450 -4.130) 5.285 2.757 ( -6.019 -1.321 -5.745) 8.425 2.854 ( -3.751 1.615 -5.754) 7.056 3.012 ( 1.929 4.178 1.050) 4.720 3.169 ( -0.942 1.938 -3.106) 3.780 3.421 ( -5.449 -2.773 -4.348) 7.502 3.528 ( -4.807 -5.677 11.981) 14.102 3.614 ( -0.464 -6.398 5.943) 8.745 3.818 ( 0.912 -0.596 -3.413) 3.582 3.886 ( -1.786 -10.428 -3.104) 11.026 3.948 ( -2.341 2.386 -3.156) 4.597 4.173 ( 0.718 3.813 2.918) 4.855 4.228 ( 0.398 4.469 -7.847) 9.039 4.280 ( -1.646 5.175 -0.473) 5.451 4.428 ( 0.717 8.909 -2.255) 9.218 4.516 ( -1.399 2.375 -5.211) 5.895 4.613 ( -3.791 2.031 3.285) 5.412 4.767 ( -7.007 -0.033 -3.428) 7.801 5.020 ( 12.992 -3.364 5.696) 14.579 5.181 ( 3.163 -3.628 0.851) 4.888 5.262 ( 8.657 -0.767 -4.411) 9.746 5.286 ( 5.273 -0.809 -1.584) 5.565 5.453 ( 2.402 1.662 -0.563) 2.974 5.492 ( 0.805 2.626 -1.816) 3.293 5.928 ( -6.692 -4.194 6.616) 10.302 6.048 ( 5.064 -3.720 0.188) 6.286 6.056 ( 1.897 -1.052 3.170) 3.841 6.154 ( -8.275 0.617 0.856) 8.342 6.407 ( -4.924 -1.570 -1.894) 5.504 6.543 ( -11.154 -5.662 -7.166) 14.416 7.107 ( -1.855 2.575 16.390) 16.695 7.118 ( -5.598 1.035 4.631) 7.339 7.406 ( -0.569 9.309 -5.907) 11.040 7.647 ( -3.189 6.150 -8.619) 11.058 7.950 ( 12.915 -9.027 9.054) 18.173 8.051 ( 11.380 -2.970 11.926) 16.750 8.105 ( 7.592 -3.871 2.561) 8.898 8.514 ( 5.448 6.087 -0.228) 8.172 8.682 ( 4.732 -2.130 -6.584) 8.383 8.831 ( 9.511 0.888 -6.925) 11.799 9.049 ( -1.259 -5.205 1.377) 5.529 9.155 ( -2.014 -2.223 -0.934) 3.142 9.303 ( -1.273 4.548 2.090) 5.165 9.503 ( -3.095 5.895 -3.134) 7.359 9.564 ( -5.277 -1.766 2.544) 6.118 9.697 ( -3.532 5.697 -1.932) 6.976 9.888 ( 3.719 -2.453 1.522) 4.708 10.109 ( -1.480 -2.854 9.923) 10.431 10.273 ( -0.574 5.371 -13.375) 14.425 10.548 ( -4.072 -2.437 -9.654) 10.757 11.305 ( 2.148 -3.273 8.441) 9.304 11.612 ( 3.905 -1.675 3.533) 5.526 11.637 ( 4.177 0.349 -7.548) 8.634 11.721 ( -5.317 -2.079 3.230) 6.559 11.854 ( 5.941 1.385 -5.801) 8.418 12.060 ( -6.875 2.047 -6.442) 9.641 12.275 ( -7.605 -4.348 -2.529) 9.118 12.369 ( -6.153 1.212 -4.954) 7.992 12.788 ( 0.865 0.191 2.716) 2.857 12.843 ( -1.368 -0.502 1.855) 2.359 12.934 ( -4.026 1.072 -1.461) 4.416 13.006 ( -2.879 1.047 -4.886) 5.767 13.209 ( -0.542 1.699 5.892) 6.156 13.466 ( -5.588 2.719 3.736) 7.251 13.532 ( -11.213 0.913 -3.615) 11.817 13.631 ( -11.326 0.128 -1.542) 11.431 14.652 ( -1.785 0.721 0.249) 1.941 14.697 ( -1.370 -0.100 -2.275) 2.657 14.742 ( -3.436 1.088 -1.218) 3.804 14.886 ( -3.657 -1.633 -5.925) 7.152 15.834 ( 11.368 2.391 5.289) 12.764 16.070 ( 17.651 -0.030 -5.574) 18.511 16.316 ( 0.880 -4.989 8.000) 9.469 16.874 ( -6.742 -11.488 -14.127) 19.416 21.948 ( 2.683 2.072 0.714) 3.464 22.000 ( -1.127 5.601 -0.866) 5.779 22.207 ( -2.980 -0.915 0.850) 3.231 22.357 ( -6.613 6.175 -5.346) 10.509 23.092 ( 8.774 2.668 6.075) 11.000 23.292 ( 9.776 3.863 -0.395) 10.519 23.633 ( -4.898 -8.286 12.370) 15.674 24.027 ( -7.593 -13.662 0.899) 15.656 24.360 ( -0.160 2.751 6.088) 6.683 24.491 ( -2.620 2.000 6.494) 7.283 24.681 ( 1.536 7.636 -8.004) 11.168 24.923 ( -1.828 -1.891 -7.984) 8.406 24.990 ( 2.334 -1.145 0.476) 2.643 25.042 ( 2.793 0.325 -1.238) 3.073 25.129 ( 2.630 1.299 -5.940) 6.625 25.218 ( -2.026 -0.565 -10.989) 11.189 ======================= Grid point 115 (44/60) ======================= q-point: ( 0.43 0.20 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 12.459 3.152 3.181) 13.239 1.960 ( 2.977 -1.167 -3.768) 4.942 2.029 ( -10.438 -0.205 -1.790) 10.592 2.104 ( -5.731 -2.608 -2.437) 6.751 2.392 ( 1.439 -3.896 2.623) 4.912 2.530 ( -9.215 -4.689 1.493) 10.446 2.581 ( 2.493 2.102 -3.225) 4.587 2.663 ( -2.835 1.798 -1.715) 3.770 3.005 ( 12.309 3.985 1.090) 12.984 3.065 ( 3.107 4.970 1.197) 5.982 3.151 ( -1.689 4.900 -0.682) 5.228 3.268 ( -9.278 4.083 0.530) 10.151 3.479 ( 0.680 -1.139 6.580) 6.712 3.558 ( -5.073 -3.603 4.137) 7.472 3.792 ( -0.983 -1.427 -5.170) 5.452 3.819 ( -2.827 -5.772 -7.632) 9.978 3.999 ( 5.752 1.814 0.416) 6.046 4.131 ( -5.149 0.652 3.165) 6.079 4.261 ( 1.401 0.337 -6.862) 7.011 4.273 ( 0.028 1.551 -1.464) 2.133 4.460 ( 3.863 4.747 0.018) 6.120 4.515 ( 2.394 4.127 -2.461) 5.368 4.562 ( -2.290 2.300 -0.082) 3.247 4.613 ( -7.672 4.055 -3.387) 9.315 5.237 ( 6.025 -6.049 3.798) 9.344 5.284 ( 4.746 -6.161 4.437) 8.954 5.367 ( 2.286 -0.387 0.073) 2.319 5.392 ( 0.586 -0.218 -0.196) 0.655 5.495 ( 6.100 2.145 0.749) 6.510 5.594 ( 8.775 3.648 -3.211) 10.031 5.732 ( -9.552 -1.061 1.766) 9.772 5.877 ( -12.853 3.305 -2.609) 13.525 6.156 ( 5.125 -5.912 1.884) 8.048 6.211 ( 5.843 -3.764 -1.004) 7.023 6.292 ( -6.366 -6.102 -2.235) 9.097 6.341 ( -6.649 -4.436 -3.361) 8.670 7.039 ( -1.223 5.867 9.836) 11.518 7.057 ( -2.425 4.957 12.033) 13.238 7.451 ( 4.186 7.389 -8.053) 11.704 7.554 ( -5.186 6.145 -9.290) 12.286 8.203 ( 8.652 -5.418 9.919) 14.234 8.232 ( 5.421 -6.607 5.773) 10.313 8.345 ( 12.771 -7.970 11.686) 19.057 8.521 ( -4.947 -5.899 0.619) 7.724 8.679 ( 0.327 -6.331 4.283) 7.651 8.848 ( -10.191 -2.574 11.871) 15.856 9.087 ( 5.836 9.540 6.925) 13.154 9.201 ( 10.023 6.893 -6.039) 13.581 9.279 ( -6.560 8.275 5.208) 11.774 9.424 ( -8.118 3.466 -2.273) 9.115 9.518 ( 5.422 4.812 -9.198) 11.711 9.623 ( -3.688 3.423 -7.226) 8.805 9.978 ( 4.362 -3.631 2.238) 6.101 10.057 ( -3.210 -4.085 6.025) 7.956 10.316 ( 4.411 2.244 -13.975) 14.825 10.435 ( -6.247 -0.991 -12.165) 13.711 11.387 ( 5.469 -8.409 5.975) 11.675 11.524 ( -7.286 -9.989 5.306) 13.454 11.729 ( 4.497 4.669 -3.250) 7.252 11.797 ( 9.065 -4.290 -7.278) 12.392 11.872 ( -7.236 5.367 -2.595) 9.375 11.996 ( -2.610 -1.936 -9.738) 10.266 12.096 ( -1.150 1.999 -9.301) 9.583 12.231 ( -7.431 3.544 -10.306) 13.191 12.802 ( 0.476 -1.338 4.089) 4.328 12.829 ( -1.912 -0.115 2.661) 3.278 12.867 ( 1.352 1.235 1.207) 2.193 12.934 ( -3.812 0.792 -2.258) 4.500 13.286 ( 5.926 1.015 -2.120) 6.375 13.358 ( -3.459 2.215 -0.948) 4.215 13.373 ( -3.497 2.507 -3.320) 5.435 13.442 ( -7.757 0.288 -2.959) 8.307 14.627 ( -0.103 0.643 1.068) 1.251 14.651 ( -2.255 0.003 2.213) 3.160 14.737 ( 2.253 -0.061 -2.609) 3.448 14.806 ( -3.863 -1.606 -3.612) 5.527 16.079 ( 10.837 0.244 6.578) 12.679 16.254 ( -5.232 -2.753 7.120) 9.255 16.413 ( 13.886 -2.330 -8.435) 16.413 16.682 ( -11.372 -5.817 -10.740) 16.689 22.019 ( 2.897 3.376 0.857) 4.531 22.037 ( 4.664 3.953 0.149) 6.116 22.125 ( -3.625 2.571 -0.200) 4.449 22.200 ( -7.544 5.842 -3.098) 10.032 23.283 ( 9.137 -2.546 8.211) 12.545 23.443 ( -3.103 -7.139 10.161) 12.800 23.580 ( 7.485 -1.152 -0.032) 7.573 23.817 ( -11.774 -8.491 -0.206) 14.518 24.379 ( 2.041 4.204 7.761) 9.060 24.435 ( -2.944 1.463 8.989) 9.571 24.758 ( 4.984 3.104 -12.700) 13.992 24.859 ( -4.231 -0.395 -12.149) 12.871 25.039 ( 2.152 -0.436 -0.028) 2.196 25.068 ( -0.304 -0.013 -0.492) 0.578 25.165 ( 1.140 0.677 -5.455) 5.614 25.187 ( -1.061 0.291 -6.422) 6.515 ======================= Grid point 119 (45/60) ======================= q-point: ( 0.00 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 0.000 3.544 16.516) 16.891 1.868 ( 0.000 -0.599 12.951) 12.965 2.238 ( 0.000 4.715 1.675) 5.004 2.265 ( 0.000 1.188 -2.010) 2.334 2.541 ( 0.000 8.041 23.117) 24.475 2.676 ( 0.000 4.722 16.161) 16.837 2.726 ( 0.000 0.676 12.159) 12.177 2.889 ( 0.000 -3.726 2.669) 4.584 2.999 ( 0.000 7.302 -3.395) 8.053 3.154 ( 0.000 -10.642 0.613) 10.660 3.196 ( 0.000 14.486 -3.930) 15.010 3.252 ( 0.000 -2.058 9.942) 10.153 3.385 ( 0.000 -7.892 12.283) 14.599 3.599 ( 0.000 -17.349 -3.048) 17.615 3.792 ( 0.000 4.826 -11.208) 12.203 3.895 ( 0.000 -6.053 -10.019) 11.705 4.011 ( 0.000 0.142 5.071) 5.073 4.022 ( 0.000 -0.870 1.997) 2.178 4.288 ( 0.000 0.751 -11.630) 11.655 4.313 ( 0.000 -2.231 -12.620) 12.815 4.493 ( 0.000 7.463 0.118) 7.464 4.618 ( 0.000 -5.860 3.629) 6.893 4.676 ( 0.000 6.024 -4.326) 7.417 4.828 ( 0.000 -7.094 0.062) 7.095 4.921 ( 0.000 4.691 0.934) 4.783 4.984 ( 0.000 0.457 4.832) 4.854 5.183 ( 0.000 3.373 -7.702) 8.409 5.217 ( 0.000 0.412 -5.566) 5.581 5.559 ( 0.000 7.112 0.390) 7.123 5.629 ( 0.000 9.264 -1.835) 9.444 5.672 ( 0.000 -4.693 1.940) 5.078 5.813 ( 0.000 -8.168 -3.333) 8.821 6.229 ( 0.000 1.389 10.778) 10.867 6.308 ( 0.000 -6.172 14.378) 15.647 6.627 ( 0.000 5.023 -6.169) 7.955 6.724 ( 0.000 -4.946 -5.738) 7.576 7.051 ( 0.000 4.692 12.051) 12.932 7.198 ( 0.000 -9.591 8.493) 12.811 7.536 ( 0.000 0.325 6.529) 6.537 7.575 ( 0.000 -4.503 6.452) 7.868 7.779 ( 0.000 4.485 -11.550) 12.390 7.828 ( 0.000 -0.315 -10.014) 10.019 8.140 ( 0.000 12.728 -12.005) 17.497 8.325 ( 0.000 -4.115 -18.467) 18.920 8.496 ( 0.000 10.427 3.551) 11.015 8.694 ( 0.000 13.315 -6.685) 14.899 8.764 ( 0.000 -15.648 1.906) 15.764 8.956 ( 0.000 -13.489 -7.288) 15.332 9.515 ( 0.000 4.653 3.506) 5.826 9.620 ( 0.000 -5.667 1.945) 5.991 9.643 ( 0.000 1.194 -2.251) 2.548 9.686 ( 0.000 -2.683 -0.821) 2.806 9.932 ( 0.000 4.711 12.863) 13.698 10.021 ( 0.000 -4.193 13.650) 14.280 10.517 ( 0.000 5.622 -13.566) 14.685 10.584 ( 0.000 -1.691 -12.616) 12.729 11.422 ( 0.000 5.156 8.910) 10.294 11.482 ( 0.000 -0.098 4.194) 4.195 11.561 ( 0.000 4.255 0.458) 4.279 11.654 ( 0.000 -4.304 -0.927) 4.403 11.981 ( 0.000 6.045 6.644) 8.983 12.149 ( 0.000 -10.360 4.148) 11.160 12.269 ( 0.000 4.032 -6.167) 7.368 12.382 ( 0.000 -7.642 -6.028) 9.733 12.888 ( 0.000 4.278 1.190) 4.441 12.932 ( 0.000 -0.424 2.614) 2.648 13.014 ( 0.000 5.589 -3.758) 6.735 13.079 ( 0.000 -0.919 -3.577) 3.693 13.442 ( 0.000 3.865 15.496) 15.971 13.537 ( 0.000 -5.437 15.662) 16.579 13.980 ( 0.000 2.988 -5.331) 6.112 14.065 ( 0.000 -5.730 -5.987) 8.288 14.755 ( 0.000 4.494 0.304) 4.504 14.828 ( 0.000 3.020 2.379) 3.845 14.842 ( 0.000 -1.691 -3.589) 3.967 14.927 ( 0.000 -4.226 -4.233) 5.982 15.545 ( 0.000 14.767 7.610) 16.613 15.865 ( 0.000 -17.460 13.556) 22.104 15.989 ( 0.000 20.790 -13.864) 24.989 16.461 ( 0.000 -27.418 -13.835) 30.711 21.993 ( 0.000 4.117 4.173) 5.862 22.092 ( 0.000 -5.734 3.864) 6.915 22.276 ( 0.000 5.896 -9.496) 11.178 22.371 ( 0.000 -3.931 -9.597) 10.371 23.181 ( 0.000 15.971 7.266) 17.546 23.439 ( 0.000 20.711 -3.875) 21.071 23.483 ( 0.000 -14.664 9.885) 17.685 23.807 ( 0.000 -17.008 -3.684) 17.402 24.538 ( 0.000 3.578 10.919) 11.490 24.605 ( 0.000 -3.287 9.194) 9.764 24.776 ( 0.000 5.065 3.381) 6.090 24.862 ( 0.000 -3.487 1.682) 3.872 24.915 ( 0.000 0.371 -7.348) 7.357 24.919 ( 0.000 -0.229 -5.713) 5.718 25.114 ( 0.000 4.479 -11.069) 11.940 25.202 ( 0.000 -4.323 -15.397) 15.993 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.14 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( 2.973 2.425 16.236) 16.683 1.885 ( 0.768 2.630 13.722) 13.993 2.171 ( -15.286 1.053 16.949) 22.848 2.188 ( -4.713 0.417 5.209) 7.037 2.377 ( 4.218 2.435 3.379) 5.928 2.746 ( 2.831 10.369 6.067) 12.343 2.808 ( -8.534 2.140 1.571) 8.937 2.863 ( 1.296 2.873 4.123) 5.190 2.962 ( -0.523 -5.013 2.066) 5.447 3.072 ( -4.303 0.185 -1.937) 4.723 3.195 ( 4.030 -5.143 2.029) 6.841 3.288 ( 0.523 5.005 -3.700) 6.246 3.504 ( 3.172 -4.335 11.417) 12.617 3.589 ( -7.276 -3.587 -3.047) 8.666 3.667 ( 1.564 -9.636 -0.097) 9.762 3.788 ( -2.913 -0.579 -7.230) 7.817 4.002 ( -1.544 -1.166 -5.309) 5.650 4.193 ( 5.586 1.341 -0.628) 5.779 4.213 ( 2.198 -1.581 -6.932) 7.442 4.415 ( 0.442 4.376 -4.609) 6.371 4.519 ( 1.323 -0.388 -1.053) 1.735 4.602 ( -2.230 5.890 -1.377) 6.446 4.731 ( 1.388 -1.058 -1.016) 2.019 4.801 ( 1.649 -3.625 -2.268) 4.583 4.883 ( 0.129 2.409 3.538) 4.282 5.049 ( 3.960 3.883 0.653) 5.585 5.156 ( 0.946 -2.703 -4.213) 5.095 5.267 ( -2.039 1.703 -5.301) 5.929 5.407 ( -3.499 -0.388 3.348) 4.858 5.577 ( -2.549 5.304 -3.828) 7.020 5.837 ( 8.239 -1.929 -0.160) 8.464 5.865 ( 3.812 -3.063 0.523) 4.918 6.146 ( -6.409 0.850 9.180) 11.228 6.265 ( -4.699 -4.235 10.674) 12.407 6.551 ( -6.531 2.836 -6.527) 9.659 6.651 ( -7.196 -3.736 -8.524) 11.764 7.040 ( 1.686 -1.010 15.516) 15.640 7.280 ( -0.034 0.047 12.286) 12.286 7.500 ( 4.255 -1.192 7.516) 8.719 7.641 ( 2.355 -1.622 -2.539) 3.824 7.742 ( 0.078 1.393 2.568) 2.922 7.898 ( 5.298 2.240 -13.039) 14.252 8.057 ( -6.126 3.974 -9.485) 11.970 8.458 ( 8.818 -3.880 -18.408) 20.777 8.577 ( 6.350 11.988 3.476) 14.004 8.736 ( 5.119 7.439 -3.783) 9.791 8.835 ( 5.985 -10.893 0.244) 12.432 9.010 ( 3.236 -9.107 -5.272) 11.009 9.448 ( -6.290 1.371 -0.087) 6.438 9.535 ( 0.576 -0.351 -4.722) 4.770 9.639 ( -1.526 -1.739 5.035) 5.541 9.788 ( 1.164 0.517 1.877) 2.269 9.857 ( -1.918 1.816 10.064) 10.405 10.064 ( 1.411 -1.931 11.785) 12.025 10.455 ( -4.576 4.718 -13.566) 15.075 10.564 ( -2.373 -1.864 -10.646) 11.065 11.361 ( -3.845 3.562 7.866) 9.452 11.512 ( 1.720 -0.415 5.930) 6.189 11.606 ( 2.310 1.237 -2.790) 3.827 11.712 ( 6.111 -0.969 -3.351) 7.036 11.866 ( -8.370 1.082 4.601) 9.612 12.188 ( -1.619 -0.420 -1.894) 2.527 12.222 ( -0.296 -4.120 -1.958) 4.571 12.421 ( 1.163 -2.832 -4.764) 5.663 12.830 ( -3.315 2.264 2.046) 4.506 12.899 ( -3.225 0.139 3.616) 4.848 13.014 ( -0.602 3.836 -5.571) 6.791 13.068 ( -1.428 -0.520 -4.254) 4.518 13.343 ( -7.047 0.908 14.186) 15.865 13.554 ( -0.063 -0.949 11.861) 11.899 13.773 ( -12.106 -0.361 -2.674) 12.403 13.957 ( -14.756 0.081 -4.483) 15.422 14.685 ( -1.445 0.989 2.943) 3.424 14.752 ( -2.810 0.363 -0.758) 2.933 14.824 ( -1.351 0.364 -0.842) 1.633 14.952 ( -3.929 -0.623 -10.558) 11.282 15.719 ( 9.452 5.772 3.693) 11.675 15.860 ( 5.598 5.960 6.129) 10.219 16.068 ( 6.711 -5.679 -1.574) 8.931 16.574 ( 7.240 -16.310 -13.223) 22.210 21.969 ( -0.530 2.393 2.911) 3.806 22.147 ( 2.911 -2.614 3.888) 5.516 22.174 ( -4.954 2.599 -6.258) 8.394 22.454 ( 3.174 -0.308 -10.541) 11.013 23.177 ( -0.105 13.940 8.096) 16.121 23.407 ( -2.162 7.468 3.177) 8.398 23.493 ( 0.508 -3.295 3.758) 5.024 23.807 ( -1.015 -16.919 -3.522) 17.312 24.409 ( -5.073 0.276 10.777) 11.914 24.632 ( -2.402 2.229 8.556) 9.162 24.801 ( 1.181 4.596 -1.147) 4.882 24.879 ( -0.047 -2.196 -7.854) 8.155 24.904 ( 2.930 -2.154 1.964) 4.133 24.982 ( 3.087 0.298 -4.071) 5.118 25.120 ( 1.284 2.900 -10.155) 10.639 25.210 ( 0.149 -2.662 -13.478) 13.739 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.29 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -6.147 8.626 14.792) 18.193 1.956 ( -0.975 -2.366 9.335) 9.679 1.973 ( 3.100 -2.889 13.292) 13.951 2.116 ( -1.278 -0.741 5.379) 5.578 2.489 ( 0.608 2.245 -5.386) 5.867 2.613 ( -7.713 -2.941 3.245) 8.869 2.712 ( -6.872 1.730 -6.744) 9.783 2.736 ( -11.241 -0.759 -9.694) 14.863 2.946 ( 4.667 6.732 2.853) 8.674 3.073 ( 2.810 1.262 3.173) 4.422 3.263 ( 1.415 4.949 -3.832) 6.417 3.338 ( 2.994 -4.702 -0.880) 5.644 3.455 ( 0.264 -2.128 7.535) 7.834 3.552 ( -2.232 1.577 2.082) 3.436 3.693 ( -1.222 -7.728 -2.578) 8.238 3.783 ( 0.524 -3.117 -4.933) 5.859 3.966 ( 0.186 0.094 -0.774) 0.802 4.237 ( 0.569 2.053 -4.980) 5.416 4.268 ( -1.196 0.401 -3.340) 3.571 4.380 ( -3.240 4.759 -2.504) 6.278 4.490 ( -3.283 -3.360 -0.092) 4.699 4.579 ( 1.064 6.102 -2.967) 6.868 4.685 ( -1.047 0.088 2.036) 2.291 4.837 ( -2.992 7.399 -2.641) 8.407 4.984 ( 7.892 -0.410 5.740) 9.767 5.091 ( -1.301 -3.737 3.487) 5.275 5.200 ( 4.366 -5.258 -2.792) 7.383 5.268 ( 7.888 -0.498 -2.840) 8.398 5.454 ( 3.119 -0.306 0.030) 3.135 5.584 ( 3.813 4.270 -5.716) 8.090 5.862 ( -5.498 -2.533 6.664) 9.004 6.005 ( 6.059 -0.311 0.066) 6.068 6.037 ( -1.275 -0.697 2.749) 3.109 6.138 ( -6.323 -1.673 6.411) 9.159 6.388 ( -8.686 0.171 -7.631) 11.563 6.437 ( -12.094 -4.252 -9.859) 16.172 7.095 ( 2.258 -0.385 15.400) 15.570 7.198 ( -4.382 2.654 16.626) 17.398 7.586 ( 0.536 8.289 -6.443) 10.513 7.776 ( 12.447 -7.289 4.655) 15.157 7.792 ( -1.411 7.959 -1.636) 8.247 7.959 ( 5.452 -7.467 5.010) 10.516 8.065 ( 7.068 0.069 -6.529) 9.623 8.539 ( -2.186 -2.654 -6.696) 7.527 8.650 ( -2.523 1.014 6.205) 6.775 8.841 ( 4.493 -1.601 3.086) 5.681 9.036 ( 12.385 3.484 -4.661) 13.684 9.122 ( 8.593 -1.694 -7.659) 11.635 9.381 ( -0.207 2.979 2.813) 4.102 9.512 ( -6.680 -1.938 6.914) 9.807 9.603 ( 3.259 2.508 -8.334) 9.293 9.781 ( -1.301 1.708 0.500) 2.204 9.863 ( 0.706 0.594 4.000) 4.105 10.046 ( -3.157 -2.830 10.297) 11.135 10.372 ( -2.653 3.956 -14.160) 14.940 10.492 ( -4.007 -2.719 -10.554) 11.612 11.293 ( -2.273 1.630 7.902) 8.382 11.500 ( -5.089 -6.199 10.374) 13.113 11.641 ( 2.289 0.882 -8.530) 8.876 11.734 ( -1.538 0.241 -0.657) 1.690 11.891 ( 9.914 1.794 -8.820) 13.390 12.086 ( -6.752 0.845 -11.368) 13.249 12.190 ( -5.234 -3.473 2.173) 6.646 12.382 ( -4.362 0.233 -5.287) 6.858 12.806 ( 0.166 1.333 2.910) 3.205 12.828 ( -1.764 -0.899 3.773) 4.261 12.956 ( -5.157 0.880 -2.504) 5.800 13.015 ( -3.320 -0.023 -3.784) 5.034 13.250 ( -0.171 1.684 5.015) 5.293 13.508 ( -4.310 1.250 4.326) 6.233 13.549 ( -9.173 0.581 -3.154) 9.718 13.634 ( -12.751 0.111 -0.622) 12.767 14.670 ( -1.353 0.916 1.274) 2.072 14.692 ( -2.718 -0.448 -0.493) 2.799 14.772 ( -2.760 1.736 -3.000) 4.431 14.845 ( -4.757 -2.143 -6.110) 8.035 15.886 ( 9.737 2.085 5.246) 11.255 16.094 ( 11.379 2.863 2.176) 11.934 16.205 ( 5.557 -5.704 0.430) 7.975 16.660 ( 0.104 -7.700 -11.455) 13.803 21.997 ( 3.207 2.320 1.254) 4.152 22.099 ( -1.195 3.358 -2.901) 4.595 22.189 ( 0.079 -1.093 3.368) 3.542 22.442 ( -4.488 2.194 -8.069) 9.490 23.194 ( 2.015 7.598 9.127) 12.046 23.363 ( -1.997 -3.040 8.534) 9.277 23.511 ( 1.509 3.446 -0.835) 3.854 23.744 ( -4.434 -14.718 -1.871) 15.485 24.379 ( 1.399 0.187 9.586) 9.690 24.557 ( -3.873 2.808 7.817) 9.165 24.802 ( -0.178 4.627 -7.969) 9.217 24.874 ( -0.878 -2.893 -9.590) 10.055 24.969 ( 3.216 -0.801 0.890) 3.432 25.048 ( 2.504 0.188 -2.056) 3.245 25.159 ( 1.725 1.611 -7.134) 7.514 25.200 ( -0.806 -1.210 -9.686) 9.794 ======================= Grid point 122 (48/60) ======================= q-point: ( 0.43 0.40 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 7.832 3.687 1.090) 8.725 1.919 ( 1.998 -2.631 -1.033) 3.462 2.037 ( -6.327 0.911 -1.986) 6.694 2.061 ( -4.771 -1.704 -1.315) 5.234 2.331 ( -2.605 -1.846 2.288) 3.928 2.439 ( -9.047 -3.248 6.274) 11.479 2.613 ( 1.680 0.940 -3.167) 3.706 2.684 ( -2.331 0.506 -6.977) 7.373 3.107 ( 9.412 5.180 2.144) 10.955 3.149 ( 4.554 2.061 0.916) 5.082 3.268 ( -1.899 4.684 0.156) 5.057 3.311 ( -4.851 0.717 -1.650) 5.174 3.474 ( -0.127 0.470 1.819) 1.883 3.498 ( -2.370 -1.242 4.601) 5.322 3.686 ( 2.366 -5.406 -4.794) 7.603 3.757 ( -3.090 -2.417 -4.961) 6.325 4.025 ( 5.033 0.565 1.203) 5.205 4.148 ( -6.192 0.711 1.393) 6.386 4.264 ( 0.226 0.270 -6.335) 6.345 4.300 ( -3.565 0.770 -3.755) 5.235 4.489 ( 4.611 0.302 1.427) 4.836 4.628 ( 0.729 4.498 -2.357) 5.130 4.641 ( -4.274 3.700 -1.075) 5.755 4.706 ( -4.652 4.255 -2.095) 6.644 5.136 ( 5.321 -3.302 7.798) 10.001 5.156 ( 3.865 -5.521 6.454) 9.332 5.320 ( 6.726 -2.552 -0.594) 7.219 5.398 ( 1.392 0.080 -1.535) 2.074 5.519 ( 3.938 0.617 0.507) 4.019 5.656 ( -5.961 1.580 2.915) 6.821 5.738 ( 5.684 1.568 -8.066) 9.991 5.951 ( -8.893 3.443 -1.447) 9.645 6.065 ( 1.459 -2.452 3.714) 4.684 6.148 ( 4.777 -2.000 -1.870) 5.506 6.166 ( -8.418 -5.715 -6.362) 12.000 6.260 ( -5.752 -2.814 -4.388) 7.763 7.120 ( 0.570 2.158 13.975) 14.152 7.138 ( -1.480 2.382 15.676) 15.925 7.613 ( 2.571 7.320 -8.074) 11.197 7.694 ( -5.044 6.667 -8.568) 11.971 8.033 ( 10.588 -7.760 5.506) 14.235 8.138 ( 3.623 -6.671 9.600) 12.239 8.229 ( 8.956 -1.115 -1.599) 9.166 8.412 ( -8.374 -3.375 -2.295) 9.316 8.592 ( 2.976 -2.805 13.337) 13.950 8.801 ( -10.633 -1.692 15.323) 18.728 9.245 ( 9.113 5.416 7.853) 13.192 9.342 ( 11.087 5.800 -10.009) 16.023 9.399 ( -1.764 3.461 5.229) 6.514 9.462 ( -0.487 0.031 -4.943) 4.967 9.622 ( 0.205 4.610 -5.541) 7.211 9.699 ( -5.857 2.931 -6.199) 9.018 9.900 ( 2.664 -3.161 4.360) 6.008 9.965 ( -3.646 -4.262 6.367) 8.485 10.358 ( 1.228 1.769 -15.196) 15.348 10.411 ( -3.500 -1.220 -13.834) 14.322 11.278 ( 1.188 -2.287 7.943) 8.351 11.355 ( -6.208 -6.125 8.845) 12.421 11.727 ( 5.704 -1.213 -13.493) 14.699 11.788 ( 4.373 0.119 -2.405) 4.992 11.924 ( -6.606 0.507 -11.315) 13.112 11.997 ( -7.820 1.976 1.537) 8.210 12.119 ( 7.512 -0.049 -12.618) 14.685 12.273 ( -6.128 0.926 -10.205) 11.940 12.786 ( 0.316 -0.365 4.726) 4.750 12.833 ( -3.320 0.323 2.225) 4.009 12.884 ( 2.014 0.507 0.131) 2.080 12.944 ( -3.197 0.247 -2.454) 4.038 13.310 ( 4.636 0.926 -1.615) 4.996 13.399 ( -4.338 1.532 -0.448) 4.623 13.414 ( -3.278 1.167 -2.613) 4.352 13.448 ( -6.076 0.296 -1.972) 6.395 14.640 ( -0.675 0.570 1.387) 1.644 14.650 ( -1.389 -0.167 2.277) 2.673 14.741 ( 0.048 0.566 -2.228) 2.300 14.770 ( -2.542 -1.727 -2.859) 4.197 16.090 ( 8.319 0.763 5.537) 10.022 16.198 ( -1.533 -2.256 6.794) 7.321 16.373 ( 10.644 -1.292 -7.271) 12.955 16.575 ( -7.700 -3.727 -9.092) 12.484 22.078 ( 3.577 2.449 1.083) 4.468 22.131 ( 2.255 3.979 0.516) 4.602 22.163 ( 0.259 0.609 0.013) 0.662 22.298 ( -8.092 3.167 -4.141) 9.626 23.253 ( 3.235 0.082 9.554) 10.087 23.316 ( -2.647 -5.011 9.953) 11.453 23.563 ( 3.469 0.869 -2.329) 4.268 23.648 ( -4.491 -7.645 -1.807) 9.049 24.426 ( 2.613 0.963 8.875) 9.302 24.484 ( -3.057 2.232 8.323) 9.143 24.811 ( 1.193 2.010 -10.257) 10.520 24.846 ( -1.750 -0.931 -11.774) 11.939 25.032 ( 2.633 -0.188 -0.464) 2.680 25.068 ( -0.555 0.045 -1.209) 1.331 25.179 ( 0.495 0.692 -6.090) 6.150 25.189 ( -0.354 -0.141 -6.329) 6.340 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 0.000 0.000 -7.842) 7.842 2.044 ( 0.000 0.000 7.842) 7.842 2.073 ( 0.000 0.000 -9.102) 9.102 2.073 ( 0.000 0.000 9.102) 9.102 2.503 ( 0.000 0.000 -0.535) 0.535 2.503 ( 0.000 0.000 0.535) 0.535 2.790 ( 0.000 0.000 -9.395) 9.395 2.790 ( 0.000 0.000 9.395) 9.395 3.003 ( 0.000 0.000 -1.482) 1.482 3.003 ( 0.000 0.000 1.482) 1.482 3.523 ( 0.000 0.000 -5.706) 5.706 3.523 ( 0.000 0.000 5.706) 5.706 3.633 ( 0.000 0.000 -15.644) 15.644 3.633 ( 0.000 0.000 15.644) 15.644 4.017 ( 0.000 0.000 -5.736) 5.736 4.017 ( 0.000 0.000 5.736) 5.736 4.093 ( 0.000 0.000 -4.414) 4.414 4.093 ( 0.000 0.000 4.414) 4.414 4.229 ( 0.000 0.000 -3.045) 3.045 4.229 ( 0.000 0.000 3.045) 3.045 4.410 ( 0.000 0.000 -9.552) 9.552 4.410 ( 0.000 0.000 9.552) 9.552 4.773 ( 0.000 0.000 -8.322) 8.322 4.773 ( 0.000 0.000 8.322) 8.322 4.910 ( 0.000 0.000 -4.735) 4.735 4.910 ( 0.000 0.000 4.735) 4.735 4.965 ( 0.000 0.000 -5.614) 5.614 4.965 ( 0.000 0.000 5.614) 5.614 5.453 ( 0.000 0.000 -0.915) 0.915 5.453 ( 0.000 0.000 0.915) 0.915 5.882 ( 0.000 0.000 -3.708) 3.708 5.882 ( 0.000 0.000 3.708) 3.708 6.373 ( 0.000 0.000 -2.987) 2.987 6.373 ( 0.000 0.000 2.987) 2.987 6.669 ( 0.000 0.000 -9.594) 9.594 6.669 ( 0.000 0.000 9.594) 9.594 7.458 ( 0.000 0.000 -2.263) 2.263 7.458 ( 0.000 0.000 2.263) 2.263 7.594 ( 0.000 0.000 -2.493) 2.493 7.594 ( 0.000 0.000 2.493) 2.493 7.611 ( 0.000 0.000 -6.919) 6.919 7.611 ( 0.000 0.000 6.919) 6.919 8.012 ( 0.000 0.000 -2.396) 2.396 8.012 ( 0.000 0.000 2.396) 2.396 8.226 ( 0.000 0.000 -0.393) 0.393 8.226 ( 0.000 0.000 0.393) 0.393 9.239 ( 0.000 0.000 -0.699) 0.699 9.239 ( 0.000 0.000 0.699) 0.699 9.574 ( 0.000 0.000 -4.808) 4.808 9.574 ( 0.000 0.000 4.808) 4.808 9.712 ( 0.000 0.000 -1.089) 1.089 9.712 ( 0.000 0.000 1.089) 1.089 10.044 ( 0.000 0.000 -9.185) 9.185 10.044 ( 0.000 0.000 9.185) 9.185 10.372 ( 0.000 0.000 -11.817) 11.817 10.372 ( 0.000 0.000 11.817) 11.817 11.471 ( 0.000 0.000 -0.504) 0.504 11.471 ( 0.000 0.000 0.504) 0.504 11.546 ( 0.000 0.000 -11.300) 11.300 11.546 ( 0.000 0.000 11.300) 11.300 12.088 ( 0.000 0.000 -6.278) 6.278 12.088 ( 0.000 0.000 6.278) 6.278 12.538 ( 0.000 0.000 -3.826) 3.826 12.538 ( 0.000 0.000 3.826) 3.826 12.736 ( 0.000 0.000 -2.553) 2.553 12.736 ( 0.000 0.000 2.553) 2.553 12.937 ( 0.000 0.000 -1.440) 1.440 12.937 ( 0.000 0.000 1.440) 1.440 13.713 ( 0.000 0.000 -15.104) 15.104 13.713 ( 0.000 0.000 15.104) 15.104 13.985 ( 0.000 0.000 -14.186) 14.186 13.985 ( 0.000 0.000 14.186) 14.186 14.798 ( 0.000 0.000 -10.113) 10.113 14.798 ( 0.000 0.000 10.113) 10.113 14.822 ( 0.000 0.000 -6.780) 6.780 14.822 ( 0.000 0.000 6.780) 6.780 15.335 ( 0.000 0.000 -7.565) 7.565 15.335 ( 0.000 0.000 7.565) 7.565 16.733 ( 0.000 0.000 -22.933) 22.933 16.733 ( 0.000 0.000 22.933) 22.933 21.998 ( 0.000 0.000 -1.461) 1.461 21.998 ( 0.000 0.000 1.461) 1.461 22.307 ( 0.000 0.000 -4.772) 4.772 22.307 ( 0.000 0.000 4.772) 4.772 22.868 ( 0.000 0.000 -4.854) 4.854 22.868 ( 0.000 0.000 4.854) 4.854 24.044 ( 0.000 0.000 -10.893) 10.893 24.044 ( 0.000 0.000 10.893) 10.893 24.648 ( 0.000 0.000 -12.849) 12.849 24.648 ( 0.000 0.000 12.849) 12.849 24.782 ( 0.000 0.000 -5.181) 5.181 24.782 ( 0.000 0.000 5.181) 5.181 24.937 ( 0.000 0.000 -15.617) 15.617 24.937 ( 0.000 0.000 15.617) 15.617 24.980 ( 0.000 0.000 -1.510) 1.510 24.980 ( 0.000 0.000 1.510) 1.510 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -2.474 0.000 -7.537) 7.933 2.021 ( -2.474 0.000 7.537) 7.933 2.136 ( 4.959 0.000 -5.238) 7.213 2.136 ( 4.959 0.000 5.238) 7.213 2.539 ( 2.752 0.000 -2.613) 3.794 2.539 ( 2.752 0.000 2.613) 3.794 2.693 ( -7.896 0.000 -12.992) 15.204 2.693 ( -7.896 0.000 12.992) 15.204 2.906 ( -6.688 0.000 -5.281) 8.522 2.906 ( -6.688 0.000 5.281) 8.522 3.444 ( -7.591 0.000 -10.687) 13.109 3.444 ( -7.591 0.000 10.687) 13.109 3.689 ( 5.508 0.000 -3.696) 6.633 3.689 ( 5.508 0.000 3.696) 6.633 4.007 ( -2.609 0.000 -2.445) 3.576 4.007 ( -2.609 0.000 2.445) 3.576 4.112 ( -4.407 0.000 -6.390) 7.762 4.112 ( -4.407 0.000 6.390) 7.762 4.210 ( 3.452 0.000 -5.638) 6.611 4.210 ( 3.452 0.000 5.638) 6.611 4.266 ( -7.600 0.000 -1.078) 7.676 4.266 ( -7.600 0.000 1.078) 7.676 4.853 ( -5.382 0.000 -7.410) 9.158 4.853 ( -5.382 0.000 7.410) 9.158 4.924 ( 9.338 0.000 -5.639) 10.908 4.924 ( 9.338 0.000 5.639) 10.908 5.047 ( 8.630 0.000 -0.209) 8.633 5.047 ( 8.630 0.000 0.209) 8.633 5.461 ( 0.396 0.000 -0.512) 0.647 5.461 ( 0.396 0.000 0.512) 0.647 5.962 ( 6.687 0.000 -3.153) 7.393 5.962 ( 6.687 0.000 3.153) 7.393 6.283 ( -7.957 0.000 -2.665) 8.392 6.283 ( -7.957 0.000 2.665) 8.392 6.623 ( -4.311 0.000 -8.343) 9.391 6.623 ( -4.311 0.000 8.343) 9.391 7.315 ( -10.321 0.000 -0.191) 10.323 7.315 ( -10.321 0.000 0.191) 10.323 7.436 ( -3.635 0.000 -10.827) 11.421 7.436 ( -3.635 0.000 10.827) 11.421 7.938 ( 16.847 0.000 -1.855) 16.949 7.938 ( 16.847 0.000 1.855) 16.949 8.144 ( 11.196 0.000 -4.934) 12.235 8.144 ( 11.196 0.000 4.934) 12.235 8.295 ( 6.687 0.000 -4.110) 7.849 8.295 ( 6.687 0.000 4.110) 7.849 9.238 ( -0.438 0.000 -0.524) 0.683 9.238 ( -0.438 0.000 0.524) 0.683 9.475 ( -8.029 0.000 -5.358) 9.652 9.475 ( -8.029 0.000 5.358) 9.652 9.700 ( -1.808 0.000 -1.745) 2.512 9.700 ( -1.808 0.000 1.745) 2.512 10.012 ( -2.231 0.000 -9.009) 9.281 10.012 ( -2.231 0.000 9.009) 9.281 10.389 ( 0.694 0.000 -11.752) 11.772 10.389 ( 0.694 0.000 11.752) 11.772 11.483 ( 1.018 0.000 -3.670) 3.808 11.483 ( 1.018 0.000 3.670) 3.808 11.574 ( 2.856 0.000 -7.980) 8.476 11.574 ( 2.856 0.000 7.980) 8.476 12.044 ( -4.108 0.000 -6.300) 7.521 12.044 ( -4.108 0.000 6.300) 7.521 12.466 ( -5.990 0.000 -1.571) 6.193 12.466 ( -5.990 0.000 1.571) 6.193 12.791 ( 3.721 0.000 -1.220) 3.916 12.791 ( 3.721 0.000 1.220) 3.916 12.925 ( -0.989 0.000 -0.974) 1.388 12.925 ( -0.989 0.000 0.974) 1.388 13.616 ( -9.649 0.000 -12.950) 16.149 13.616 ( -9.649 0.000 12.950) 16.149 13.804 ( -13.581 0.000 -9.094) 16.345 13.804 ( -13.581 0.000 9.094) 16.345 14.689 ( -4.624 0.000 -1.709) 4.929 14.689 ( -4.624 0.000 1.709) 4.929 14.833 ( -1.229 0.000 -3.160) 3.391 14.833 ( -1.229 0.000 3.160) 3.391 15.568 ( 17.190 0.000 -0.352) 17.194 15.568 ( 17.190 0.000 0.352) 17.194 16.721 ( -1.505 0.000 -20.776) 20.830 16.721 ( -1.505 0.000 20.776) 20.830 21.959 ( -2.481 0.000 -0.606) 2.554 21.959 ( -2.481 0.000 0.606) 2.554 22.303 ( -1.511 0.000 -2.866) 3.240 22.303 ( -1.511 0.000 2.866) 3.240 22.958 ( 8.288 0.000 -4.688) 9.522 22.958 ( 8.288 0.000 4.688) 9.522 24.093 ( 3.733 0.000 -13.690) 14.190 24.093 ( 3.733 0.000 13.690) 14.190 24.473 ( -10.568 0.000 -5.451) 11.891 24.473 ( -10.568 0.000 5.451) 11.891 24.851 ( -3.709 0.000 -9.157) 9.880 24.851 ( -3.709 0.000 9.157) 9.880 24.928 ( 5.825 0.000 -2.391) 6.296 24.928 ( 5.825 0.000 2.391) 6.296 25.023 ( 2.181 0.000 -5.597) 6.007 25.023 ( 2.181 0.000 5.597) 6.007 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( -6.854 0.000 -11.240) 13.165 1.914 ( -6.854 0.000 11.240) 13.165 2.218 ( 0.186 0.000 -2.635) 2.641 2.218 ( 0.186 0.000 2.635) 2.641 2.515 ( -5.527 0.000 -6.564) 8.581 2.515 ( -5.527 0.000 6.564) 8.581 2.619 ( 0.441 0.000 -1.392) 1.460 2.619 ( 0.441 0.000 1.392) 1.460 2.808 ( 1.732 0.000 -5.222) 5.501 2.808 ( 1.732 0.000 5.222) 5.501 3.317 ( -4.398 0.000 -8.257) 9.355 3.317 ( -4.398 0.000 8.257) 9.355 3.759 ( -0.474 0.000 -1.596) 1.665 3.759 ( -0.474 0.000 1.596) 1.665 3.857 ( -10.080 0.000 -9.837) 14.085 3.857 ( -10.080 0.000 9.837) 14.085 3.991 ( -2.967 0.000 -5.088) 5.890 3.991 ( -2.967 0.000 5.088) 5.890 4.214 ( 2.838 0.000 -3.159) 4.246 4.214 ( 2.838 0.000 3.159) 4.246 4.333 ( 4.729 0.000 -7.960) 9.259 4.333 ( 4.729 0.000 7.960) 9.259 4.692 ( -8.605 0.000 -4.091) 9.528 4.692 ( -8.605 0.000 4.091) 9.528 5.163 ( 13.142 0.000 -4.385) 13.854 5.163 ( 13.142 0.000 4.385) 13.854 5.236 ( 7.871 0.000 -1.455) 8.005 5.236 ( 7.871 0.000 1.455) 8.005 5.454 ( -1.123 0.000 -1.892) 2.200 5.454 ( -1.123 0.000 1.892) 2.200 6.074 ( -11.292 0.000 -2.110) 11.488 6.074 ( -11.292 0.000 2.110) 11.488 6.113 ( 6.727 0.000 -1.000) 6.801 6.113 ( 6.727 0.000 1.000) 6.801 6.499 ( -7.091 0.000 -4.383) 8.336 6.499 ( -7.091 0.000 4.383) 8.337 7.164 ( -3.535 0.000 -5.373) 6.432 7.164 ( -3.535 0.000 5.373) 6.432 7.351 ( -4.564 0.000 -11.875) 12.721 7.351 ( -4.564 0.000 11.875) 12.721 8.259 ( 12.369 0.000 -3.100) 12.752 8.259 ( 12.369 0.000 3.100) 12.752 8.398 ( 12.041 0.000 -13.899) 18.389 8.398 ( 12.041 0.000 13.899) 18.389 8.531 ( 15.512 0.000 -17.111) 23.095 8.531 ( 15.512 0.000 17.111) 23.095 9.200 ( -3.216 0.000 -2.158) 3.873 9.200 ( -3.216 0.000 2.158) 3.873 9.300 ( -7.551 0.000 -5.612) 9.408 9.300 ( -7.551 0.000 5.612) 9.408 9.620 ( -6.170 0.000 -0.569) 6.196 9.620 ( -6.170 0.000 0.569) 6.196 9.994 ( 1.494 0.000 -7.466) 7.614 9.994 ( 1.494 0.000 7.466) 7.614 10.363 ( -3.569 0.000 -10.944) 11.511 10.363 ( -3.569 0.000 10.944) 11.511 11.517 ( 2.495 0.000 -5.426) 5.972 11.517 ( 2.495 0.000 5.426) 5.972 11.661 ( 5.272 0.000 -4.064) 6.657 11.661 ( 5.272 0.000 4.064) 6.657 11.926 ( -6.974 0.000 -5.549) 8.912 11.926 ( -6.974 0.000 5.549) 8.912 12.290 ( -11.023 0.000 -0.410) 11.031 12.290 ( -11.023 0.000 0.410) 11.031 12.852 ( 1.836 0.000 -0.527) 1.910 12.852 ( 1.836 0.000 0.527) 1.910 12.905 ( -0.925 0.000 -0.219) 0.951 12.905 ( -0.925 0.000 0.219) 0.951 13.362 ( -10.660 0.000 -8.837) 13.847 13.362 ( -10.660 0.000 8.837) 13.847 13.552 ( -10.499 0.000 -5.055) 11.652 13.552 ( -10.499 0.000 5.055) 11.652 14.642 ( -0.140 0.000 -1.291) 1.299 14.642 ( -0.140 0.000 1.291) 1.299 14.790 ( -2.604 0.000 -4.489) 5.189 14.790 ( -2.604 0.000 4.489) 5.189 15.931 ( 16.629 0.000 -6.245) 17.763 15.931 ( 16.629 0.000 6.245) 17.763 16.652 ( -5.412 0.000 -16.143) 17.026 16.652 ( -5.412 0.000 16.143) 17.026 21.936 ( 0.719 0.000 -0.401) 0.823 21.936 ( 0.719 0.000 0.401) 0.823 22.228 ( -5.290 0.000 -0.641) 5.328 22.228 ( -5.290 0.000 0.641) 5.328 23.188 ( 13.126 0.000 -5.277) 14.147 23.188 ( 13.126 0.000 5.277) 14.147 24.074 ( -9.190 0.000 -16.711) 19.071 24.074 ( -9.190 0.000 16.711) 19.071 24.357 ( 2.756 0.000 -3.185) 4.212 24.357 ( 2.756 0.000 3.185) 4.212 24.746 ( -5.546 0.000 -10.385) 11.773 24.746 ( -5.546 0.000 10.385) 11.773 25.027 ( 3.015 0.000 -2.474) 3.900 25.027 ( 3.015 0.000 2.474) 3.900 25.066 ( 2.003 0.000 -3.838) 4.329 25.066 ( 2.003 0.000 3.838) 4.329 ======================= Grid point 146 (52/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 2.882 0.000 -7.768) 8.286 1.848 ( 2.882 0.000 7.768) 8.286 2.040 ( -13.393 0.000 -2.212) 13.574 2.040 ( -13.393 0.000 2.212) 13.574 2.507 ( 4.352 0.000 -2.124) 4.843 2.507 ( 4.352 0.000 2.124) 4.843 2.598 ( -3.074 0.000 -3.624) 4.752 2.598 ( -3.074 0.000 3.624) 4.752 2.986 ( 11.875 0.000 -2.977) 12.243 2.986 ( 11.875 0.000 2.977) 12.243 3.204 ( -7.746 0.000 -2.401) 8.109 3.204 ( -7.746 0.000 2.401) 8.109 3.677 ( -3.831 0.000 -5.964) 7.088 3.677 ( -3.831 0.000 5.963) 7.088 3.687 ( -4.949 0.000 -8.496) 9.832 3.687 ( -4.949 0.000 8.496) 9.832 4.061 ( 7.712 0.000 -7.262) 10.593 4.061 ( 7.712 0.000 7.262) 10.593 4.218 ( -4.945 0.000 -4.829) 6.912 4.218 ( -4.945 0.000 4.829) 6.912 4.426 ( 5.129 0.000 -3.277) 6.086 4.426 ( 5.129 0.000 3.277) 6.086 4.537 ( -5.776 0.000 -0.124) 5.777 4.537 ( -5.776 0.000 0.124) 5.777 5.344 ( 3.568 0.000 -0.899) 3.679 5.344 ( 3.568 0.000 0.899) 3.679 5.393 ( -0.110 0.000 -1.067) 1.073 5.393 ( -0.110 0.000 1.067) 1.073 5.498 ( 13.218 0.000 -2.230) 13.405 5.498 ( 13.218 0.000 2.230) 13.405 5.806 ( -14.280 0.000 -1.346) 14.343 5.806 ( -14.280 0.000 1.346) 14.343 6.239 ( 5.421 0.000 -0.955) 5.505 6.239 ( 5.421 0.000 0.955) 5.505 6.356 ( -6.147 0.000 -0.087) 6.147 6.356 ( -6.147 0.000 0.087) 6.147 7.163 ( 2.754 0.000 -10.540) 10.894 7.163 ( 2.754 0.000 10.540) 10.894 7.249 ( -4.919 0.000 -12.400) 13.340 7.249 ( -4.919 0.000 12.400) 13.340 8.461 ( 7.861 0.000 -6.948) 10.491 8.461 ( 7.861 0.000 6.948) 10.491 8.561 ( 0.563 0.000 -8.564) 8.583 8.561 ( 0.563 0.000 8.564) 8.583 8.861 ( 14.841 0.000 -8.618) 17.162 8.861 ( 14.841 0.000 8.618) 17.162 9.123 ( -9.469 0.000 -6.575) 11.528 9.123 ( -9.469 0.000 6.575) 11.528 9.220 ( 6.536 0.000 -7.282) 9.785 9.220 ( 6.536 0.000 7.282) 9.785 9.436 ( -11.031 0.000 -5.904) 12.511 9.436 ( -11.031 0.000 5.904) 12.511 10.086 ( 6.830 0.000 -5.883) 9.015 10.086 ( 6.830 0.000 5.883) 9.015 10.244 ( -7.375 0.000 -8.080) 10.939 10.244 ( -7.375 0.000 8.080) 10.939 11.601 ( 5.771 0.000 -1.800) 6.045 11.601 ( 5.771 0.000 1.800) 6.045 11.742 ( -5.284 0.000 -4.446) 6.906 11.742 ( -5.284 0.000 4.446) 6.906 11.822 ( 5.583 0.000 -4.078) 6.914 11.822 ( 5.583 0.000 4.078) 6.914 12.032 ( -12.372 0.000 -1.698) 12.487 12.032 ( -12.372 0.000 1.698) 12.487 12.871 ( 0.387 0.000 -0.931) 1.008 12.871 ( 0.387 0.000 0.931) 1.008 12.884 ( -0.959 0.000 -0.872) 1.296 12.884 ( -0.959 0.000 0.872) 1.296 13.265 ( 1.028 0.000 -2.009) 2.257 13.265 ( 1.028 0.000 2.009) 2.257 13.362 ( -7.390 0.000 -3.145) 8.031 13.362 ( -7.390 0.000 3.145) 8.031 14.669 ( 2.412 0.000 -3.438) 4.199 14.669 ( 2.412 0.000 3.438) 4.199 14.729 ( -3.077 0.000 -4.543) 5.487 14.729 ( -3.077 0.000 4.543) 5.487 16.247 ( 13.477 0.000 -8.950) 16.178 16.247 ( 13.477 0.000 8.950) 16.178 16.491 ( -9.828 0.000 -11.829) 15.379 16.491 ( -9.828 0.000 11.829) 15.379 21.991 ( 4.292 0.000 -0.743) 4.356 21.991 ( 4.292 0.000 0.743) 4.356 22.103 ( -6.130 0.000 -0.541) 6.154 22.103 ( -6.130 0.000 0.541) 6.154 23.485 ( 14.971 0.000 -7.382) 16.692 23.485 ( 14.971 0.000 7.382) 16.692 23.801 ( -14.887 0.000 -10.826) 18.408 23.801 ( -14.887 0.000 10.826) 18.408 24.482 ( 7.030 0.000 -8.595) 11.104 24.482 ( 7.030 0.000 8.595) 11.104 24.623 ( -6.330 0.000 -10.207) 12.011 24.623 ( -6.330 0.000 10.207) 12.011 25.072 ( 1.562 0.000 -2.785) 3.193 25.072 ( 1.562 0.000 2.785) 3.193 25.090 ( 0.023 0.000 -2.553) 2.553 25.090 ( 0.023 0.000 2.553) 2.553 ======================= Grid point 154 (53/60) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 0.000 2.656 -8.935) 9.322 2.075 ( 0.000 2.656 8.935) 9.322 2.101 ( 0.000 2.066 -10.153) 10.361 2.101 ( 0.000 2.066 10.153) 10.361 2.611 ( 0.000 10.982 -6.524) 12.774 2.611 ( 0.000 10.982 6.524) 12.774 2.808 ( 0.000 2.239 -9.677) 9.933 2.808 ( 0.000 2.239 9.677) 9.933 3.021 ( 0.000 1.568 -3.769) 4.082 3.021 ( 0.000 1.568 3.769) 4.082 3.454 ( 0.000 -6.775 -1.070) 6.859 3.454 ( 0.000 -6.775 1.070) 6.859 3.633 ( 0.000 -0.727 -9.224) 9.253 3.633 ( 0.000 -0.727 9.224) 9.253 3.869 ( 0.000 -12.559 -9.844) 15.957 3.869 ( 0.000 -12.559 9.844) 15.957 4.100 ( 0.000 0.619 -4.460) 4.502 4.100 ( 0.000 0.619 4.460) 4.502 4.162 ( 0.000 -5.153 -7.991) 9.509 4.162 ( 0.000 -5.153 7.991) 9.509 4.448 ( 0.000 3.957 -8.006) 8.931 4.448 ( 0.000 3.957 8.006) 8.931 4.824 ( 0.000 1.772 -6.454) 6.693 4.824 ( 0.000 1.772 6.454) 6.693 4.942 ( 0.000 -0.105 -5.532) 5.533 4.942 ( 0.000 -0.105 5.532) 5.533 5.017 ( 0.000 7.669 -5.265) 9.302 5.017 ( 0.000 7.669 5.265) 9.302 5.477 ( 0.000 3.104 -1.531) 3.461 5.477 ( 0.000 3.104 1.531) 3.461 5.843 ( 0.000 -3.970 -4.364) 5.900 5.843 ( 0.000 -3.970 4.364) 5.900 6.388 ( 0.000 1.841 -7.028) 7.265 6.388 ( 0.000 1.841 7.028) 7.265 6.640 ( 0.000 -2.897 -9.218) 9.663 6.640 ( 0.000 -2.897 9.218) 9.663 7.391 ( 0.000 -3.902 -15.617) 16.097 7.391 ( 0.000 -3.902 15.617) 16.097 7.556 ( 0.000 -5.677 -10.325) 11.783 7.556 ( 0.000 -5.677 10.325) 11.783 7.708 ( 0.000 8.682 -10.056) 13.285 7.708 ( 0.000 8.682 10.056) 13.285 7.969 ( 0.000 -1.354 -14.362) 14.426 7.969 ( 0.000 -1.354 14.362) 14.426 8.364 ( 0.000 10.668 -3.896) 11.357 8.364 ( 0.000 10.668 3.896) 11.357 9.095 ( 0.000 -12.519 -3.016) 12.877 9.095 ( 0.000 -12.519 3.016) 12.877 9.568 ( 0.000 -0.161 -4.356) 4.359 9.568 ( 0.000 -0.161 4.356) 4.359 9.718 ( 0.000 -0.956 -0.265) 0.992 9.718 ( 0.000 -0.956 0.265) 0.992 10.105 ( 0.000 5.657 -12.468) 13.691 10.105 ( 0.000 5.657 12.468) 13.691 10.356 ( 0.000 -1.654 -12.382) 12.492 10.356 ( 0.000 -1.654 12.382) 12.492 11.488 ( 0.000 2.076 -1.032) 2.319 11.488 ( 0.000 2.076 1.032) 2.319 11.563 ( 0.000 1.521 -9.892) 10.008 11.563 ( 0.000 1.521 9.892) 10.008 12.091 ( 0.000 0.500 -6.903) 6.921 12.091 ( 0.000 0.500 6.903) 6.921 12.438 ( 0.000 -8.915 -4.778) 10.115 12.438 ( 0.000 -8.915 4.778) 10.115 12.807 ( 0.000 6.520 -2.805) 7.098 12.807 ( 0.000 6.520 2.805) 7.098 12.976 ( 0.000 2.736 -3.283) 4.274 12.976 ( 0.000 2.736 3.283) 4.274 13.722 ( 0.000 1.127 -14.864) 14.906 13.722 ( 0.000 1.127 14.864) 14.906 13.945 ( 0.000 -3.932 -13.866) 14.413 13.945 ( 0.000 -3.932 13.866) 14.413 14.805 ( 0.000 0.631 -8.683) 8.706 14.805 ( 0.000 0.631 8.683) 8.706 14.827 ( 0.000 0.302 -4.354) 4.365 14.827 ( 0.000 0.302 4.354) 4.365 15.437 ( 0.000 10.570 -8.122) 13.330 15.437 ( 0.000 10.570 8.122) 13.330 16.562 ( 0.000 -16.618 -19.947) 25.963 16.562 ( 0.000 -16.618 19.947) 25.963 22.029 ( 0.000 3.032 -4.690) 5.585 22.029 ( 0.000 3.032 4.690) 5.585 22.278 ( 0.000 -2.961 -5.514) 6.259 22.278 ( 0.000 -2.961 5.514) 6.259 23.005 ( 0.000 13.366 -4.673) 14.159 23.005 ( 0.000 13.366 4.673) 14.159 23.943 ( 0.000 -10.130 -9.631) 13.977 23.943 ( 0.000 -10.130 9.631) 13.977 24.680 ( 0.000 2.887 -10.424) 10.817 24.680 ( 0.000 2.887 10.424) 10.817 24.786 ( 0.000 0.362 -5.989) 6.000 24.786 ( 0.000 0.362 5.989) 6.000 24.934 ( 0.000 -0.247 -13.972) 13.975 24.934 ( 0.000 -0.247 13.972) 13.975 24.965 ( 0.000 -1.467 -2.480) 2.882 24.965 ( 0.000 -1.467 2.480) 2.882 ======================= Grid point 156 (54/60) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -1.708 3.585 -7.236) 8.253 2.060 ( -1.708 3.585 7.236) 8.254 2.150 ( 3.778 0.928 -7.927) 8.830 2.150 ( 3.778 0.928 7.927) 8.830 2.628 ( -2.620 7.411 -3.815) 8.737 2.628 ( -2.620 7.411 3.815) 8.737 2.703 ( -5.419 2.453 -8.148) 10.088 2.703 ( -5.419 2.453 8.148) 10.088 2.937 ( -5.409 3.083 -5.878) 8.562 2.937 ( -5.409 3.083 5.878) 8.562 3.377 ( -7.634 -6.631 -8.658) 13.312 3.377 ( -7.634 -6.631 8.658) 13.312 3.643 ( 3.720 -4.126 -2.366) 6.038 3.643 ( 3.720 -4.126 2.366) 6.038 3.901 ( -1.503 -10.259 -1.583) 10.489 3.901 ( -1.503 -10.259 1.583) 10.489 4.034 ( -2.869 -2.050 -8.802) 9.482 4.034 ( -2.869 -2.050 8.802) 9.482 4.232 ( 4.773 2.172 -6.322) 8.214 4.232 ( 4.773 2.172 6.322) 8.214 4.419 ( -2.664 9.191 -5.367) 10.972 4.419 ( -2.664 9.191 5.367) 10.972 4.827 ( -5.880 -3.049 -5.315) 8.492 4.827 ( -5.880 -3.049 5.315) 8.492 4.924 ( 7.298 1.676 -5.587) 9.342 4.924 ( 7.298 1.676 5.587) 9.342 5.116 ( 6.300 4.734 -1.302) 7.988 5.116 ( 6.300 4.734 1.302) 7.988 5.462 ( -0.832 0.480 -1.692) 1.946 5.462 ( -0.832 0.480 1.692) 1.946 5.923 ( 6.348 -3.642 -2.751) 7.818 5.923 ( 6.348 -3.642 2.751) 7.818 6.295 ( -8.024 1.630 -6.519) 10.466 6.295 ( -8.024 1.630 6.519) 10.466 6.578 ( -5.670 -4.374 -7.459) 10.340 6.578 ( -5.670 -4.374 7.459) 10.340 7.336 ( -4.782 1.873 -6.136) 8.002 7.336 ( -4.782 1.873 6.136) 8.002 7.497 ( -3.223 4.997 -8.996) 10.784 7.497 ( -3.223 4.997 8.996) 10.784 7.839 ( 10.301 -6.354 -6.724) 13.846 7.839 ( 10.301 -6.354 6.724) 13.846 8.121 ( 12.506 -2.397 -16.747) 21.038 8.121 ( 12.506 -2.397 16.747) 21.038 8.431 ( 6.484 10.879 -5.236) 13.705 8.431 ( 6.484 10.879 5.236) 13.705 9.112 ( 0.706 -10.300 -2.801) 10.697 9.112 ( 0.706 -10.300 2.801) 10.697 9.486 ( -5.570 -0.370 -3.858) 6.786 9.486 ( -5.570 -0.370 3.858) 6.786 9.717 ( -1.394 1.506 -2.226) 3.028 9.717 ( -1.394 1.506 2.226) 3.028 10.064 ( -2.969 4.719 -11.969) 13.204 10.064 ( -2.969 4.719 11.969) 13.204 10.368 ( 0.193 -2.127 -12.000) 12.188 10.368 ( 0.193 -2.127 12.000) 12.188 11.481 ( -0.501 0.396 -4.857) 4.898 11.481 ( -0.501 0.396 4.857) 4.898 11.601 ( 3.425 2.161 -6.232) 7.432 11.601 ( 3.425 2.161 6.232) 7.432 12.032 ( -5.238 -1.078 -7.490) 9.203 12.032 ( -5.238 -1.078 7.490) 9.203 12.413 ( -3.042 -5.177 -3.471) 6.936 12.413 ( -3.042 -5.177 3.471) 6.936 12.821 ( 1.316 3.604 -3.692) 5.325 12.821 ( 1.316 3.604 3.692) 5.325 12.958 ( -1.592 2.293 -3.535) 4.504 12.958 ( -1.592 2.293 3.535) 4.504 13.619 ( -9.727 0.261 -12.417) 15.776 13.619 ( -9.727 0.261 12.417) 15.776 13.801 ( -11.377 -0.347 -9.545) 14.855 13.801 ( -11.377 -0.347 9.545) 14.855 14.709 ( -4.627 1.885 -1.264) 5.154 14.709 ( -4.627 1.885 1.264) 5.154 14.824 ( -1.615 -0.917 -3.494) 3.957 14.824 ( -1.615 -0.917 3.494) 3.957 15.630 ( 14.729 6.534 -1.643) 16.197 15.630 ( 14.729 6.534 1.643) 16.197 16.579 ( 0.914 -13.607 -18.202) 22.745 16.579 ( 0.914 -13.607 18.202) 22.745 21.991 ( -2.293 2.977 -3.427) 5.086 21.991 ( -2.293 2.977 3.427) 5.086 22.298 ( 0.382 -0.875 -5.251) 5.337 22.298 ( 0.382 -0.875 5.251) 5.337 23.059 ( 5.303 10.450 -4.966) 12.727 23.059 ( 5.303 10.450 4.966) 12.727 23.958 ( 0.548 -12.233 -11.043) 16.489 23.958 ( 0.548 -12.233 11.043) 16.489 24.539 ( -7.183 5.188 -5.874) 10.631 24.539 ( -7.183 5.188 5.874) 10.631 24.839 ( -3.598 -1.205 -7.658) 8.546 24.839 ( -3.598 -1.205 7.658) 8.546 24.935 ( 5.547 0.732 -3.667) 6.690 24.935 ( 5.547 0.732 3.667) 6.690 25.015 ( 2.469 -0.779 -6.065) 6.594 25.015 ( 2.469 -0.779 6.065) 6.594 ======================= Grid point 158 (55/60) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( -7.510 4.671 -9.685) 13.115 1.961 ( -7.510 4.671 9.685) 13.115 2.202 ( -1.574 -1.498 -3.485) 4.107 2.202 ( -1.574 -1.498 3.485) 4.107 2.484 ( -4.120 -2.769 -7.974) 9.393 2.484 ( -4.120 -2.769 7.974) 9.393 2.647 ( -4.609 1.933 -2.878) 5.767 2.647 ( -4.609 1.933 2.878) 5.767 2.902 ( 4.247 8.821 -8.559) 13.004 2.902 ( 4.247 8.821 8.559) 13.004 3.264 ( -2.883 -3.924 -8.925) 10.167 3.264 ( -2.883 -3.924 8.925) 10.167 3.700 ( -0.025 -6.478 -0.813) 6.529 3.700 ( -0.025 -6.478 0.813) 6.529 3.784 ( -6.666 -4.642 -4.748) 9.409 3.784 ( -6.666 -4.642 4.748) 9.409 4.021 ( 0.610 2.627 -8.490) 8.908 4.021 ( 0.610 2.627 8.490) 8.908 4.275 ( -1.113 2.038 -2.542) 3.443 4.275 ( -1.113 2.038 2.542) 3.443 4.412 ( 2.623 8.495 -2.535) 9.245 4.412 ( 2.623 8.495 2.535) 9.245 4.689 ( -6.656 0.562 -3.861) 7.716 4.689 ( -6.656 0.562 3.861) 7.716 5.134 ( 11.757 -2.210 -5.130) 13.016 5.134 ( 11.757 -2.210 5.130) 13.016 5.244 ( 5.487 -0.607 -2.244) 5.959 5.244 ( 5.487 -0.607 2.244) 5.959 5.461 ( 0.796 0.900 -1.156) 1.667 5.461 ( 0.796 0.900 1.156) 1.667 6.039 ( -0.949 -3.380 -2.556) 4.343 6.039 ( -0.949 -3.380 2.556) 4.343 6.108 ( -4.485 0.385 -3.172) 5.507 6.108 ( -4.485 0.385 3.172) 5.507 6.428 ( -7.845 -6.399 -3.640) 10.759 6.428 ( -7.845 -6.399 3.640) 10.759 7.251 ( -2.314 7.464 -7.466) 10.808 7.251 ( -2.314 7.464 7.466) 10.808 7.422 ( -4.215 6.595 -12.754) 14.964 7.422 ( -4.215 6.595 12.754) 14.964 8.083 ( 12.050 -11.038 -3.198) 16.651 8.083 ( 12.050 -11.038 3.198) 16.651 8.400 ( 11.514 -5.619 -16.011) 20.506 8.400 ( 11.514 -5.619 16.011) 20.506 8.630 ( 12.279 9.980 -7.777) 17.631 8.630 ( 12.279 9.980 7.777) 17.631 9.091 ( -1.562 -6.573 -2.861) 7.337 9.091 ( -1.562 -6.573 2.861) 7.337 9.404 ( -2.508 5.180 -5.542) 7.990 9.404 ( -2.508 5.180 5.542) 7.990 9.637 ( -6.191 2.302 -4.038) 7.741 9.637 ( -6.191 2.302 4.038) 7.741 10.025 ( 0.058 2.707 -10.174) 10.529 10.025 ( 0.058 2.707 10.174) 10.529 10.332 ( -3.905 -3.029 -10.938) 12.002 10.332 ( -3.905 -3.029 10.938) 12.002 11.481 ( 0.934 -2.176 -7.979) 8.323 11.481 ( 0.934 -2.176 7.979) 8.323 11.695 ( 5.153 2.071 -4.689) 7.269 11.695 ( 5.153 2.071 4.689) 7.269 11.889 ( -7.895 -3.208 -8.169) 11.805 11.889 ( -7.895 -3.208 8.169) 11.805 12.286 ( -9.147 -0.535 -2.682) 9.547 12.286 ( -9.147 -0.535 2.682) 9.547 12.855 ( 1.529 0.596 -3.819) 4.157 12.855 ( 1.529 0.596 3.819) 4.157 12.918 ( -1.987 0.964 -3.890) 4.473 12.918 ( -1.987 0.964 3.890) 4.473 13.384 ( -9.667 1.875 -8.857) 13.244 13.384 ( -9.667 1.875 8.857) 13.244 13.565 ( -10.463 1.251 -4.327) 11.391 13.565 ( -10.463 1.251 4.327) 11.391 14.657 ( -0.483 1.516 -1.289) 2.048 14.657 ( -0.483 1.516 1.289) 2.048 14.778 ( -2.497 -1.222 -3.907) 4.795 14.778 ( -2.497 -1.222 3.907) 4.795 15.950 ( 14.932 2.014 -5.710) 16.113 15.950 ( 14.932 2.014 5.710) 16.113 16.565 ( -2.920 -8.175 -14.537) 16.932 16.565 ( -2.920 -8.175 14.537) 16.932 21.973 ( 0.999 3.429 -1.490) 3.870 21.973 ( 0.999 3.429 1.490) 3.870 22.258 ( -4.155 2.387 -3.824) 6.131 22.258 ( -4.155 2.387 3.824) 6.131 23.223 ( 9.983 4.095 -5.629) 12.170 23.223 ( 9.983 4.095 5.629) 12.170 23.906 ( -6.423 -13.571 -11.744) 19.062 23.906 ( -6.423 -13.571 11.744) 19.062 24.464 ( 0.525 7.334 -4.517) 8.629 24.464 ( 0.525 7.334 4.517) 8.629 24.742 ( -4.969 -0.539 -8.802) 10.122 24.742 ( -4.969 -0.539 8.802) 10.122 25.028 ( 2.775 0.134 -3.407) 4.396 25.028 ( 2.775 0.134 3.407) 4.396 25.065 ( 2.223 -0.212 -3.862) 4.461 25.065 ( 2.223 -0.212 3.862) 4.461 ======================= Grid point 160 (56/60) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 0.923 1.613 -7.037) 7.278 1.863 ( 0.923 1.613 7.037) 7.278 2.019 ( -12.065 -1.924 -2.010) 12.382 2.019 ( -12.065 -1.924 2.010) 12.382 2.504 ( 4.246 -0.541 -5.411) 6.900 2.504 ( 4.246 -0.541 5.411) 6.900 2.585 ( -2.690 -1.209 -4.657) 5.512 2.585 ( -2.690 -1.209 4.657) 5.512 3.051 ( 8.531 6.038 -3.572) 11.045 3.051 ( 8.531 6.038 3.572) 11.045 3.200 ( -4.755 0.362 -5.404) 7.207 3.200 ( -4.755 0.362 5.404) 7.207 3.642 ( -1.800 -3.566 -6.045) 7.246 3.642 ( -1.800 -3.566 6.045) 7.246 3.681 ( -4.376 -0.894 -4.147) 6.095 3.681 ( -4.376 -0.894 4.147) 6.095 4.087 ( 5.903 2.087 -7.479) 9.754 4.087 ( 5.903 2.087 7.479) 9.754 4.217 ( -5.038 -0.255 -4.100) 6.501 4.217 ( -5.038 -0.255 4.100) 6.501 4.475 ( 3.618 4.253 -1.216) 5.714 4.475 ( 3.618 4.253 1.216) 5.714 4.567 ( -5.034 3.610 -0.939) 6.265 4.567 ( -5.034 3.610 0.939) 6.265 5.319 ( 4.946 -2.404 -3.014) 6.271 5.319 ( 4.946 -2.404 3.014) 6.271 5.371 ( 2.744 -2.538 -1.809) 4.153 5.371 ( 2.744 -2.538 1.809) 4.153 5.524 ( 9.243 2.381 -2.435) 9.850 5.524 ( 9.243 2.381 2.435) 9.850 5.803 ( -14.176 -0.055 -4.216) 14.790 5.803 ( -14.176 -0.055 4.216) 14.790 6.183 ( 4.586 -4.692 -1.487) 6.727 6.183 ( 4.586 -4.692 1.487) 6.727 6.284 ( -5.581 -6.255 -1.777) 8.569 6.284 ( -5.581 -6.255 1.777) 8.569 7.253 ( 2.284 7.960 -10.521) 13.389 7.253 ( 2.284 7.960 10.521) 13.389 7.328 ( -4.448 7.018 -12.297) 14.841 7.328 ( -4.448 7.018 12.297) 14.841 8.316 ( 9.973 -10.626 -0.749) 14.593 8.316 ( 9.973 -10.626 0.749) 14.593 8.479 ( -4.164 -8.567 -4.106) 10.373 8.479 ( -4.164 -8.567 4.106) 10.373 8.920 ( 14.188 4.387 -13.894) 20.337 8.920 ( 14.188 4.387 13.894) 20.337 9.111 ( -0.403 0.045 -6.214) 6.227 9.111 ( -0.403 0.045 6.214) 6.227 9.349 ( -0.136 9.705 -6.885) 11.900 9.349 ( -0.136 9.705 6.885) 11.900 9.477 ( -8.549 4.089 -5.230) 10.824 9.477 ( -8.549 4.089 5.230) 10.824 10.082 ( 5.159 -0.529 -7.927) 9.473 10.082 ( 5.159 -0.529 7.927) 9.473 10.214 ( -6.738 -2.912 -8.763) 11.431 10.214 ( -6.738 -2.912 8.763) 11.431 11.537 ( 4.768 -4.690 -8.363) 10.708 11.537 ( 4.768 -4.690 8.363) 10.708 11.678 ( -7.900 -5.656 -8.540) 12.936 11.678 ( -7.900 -5.656 8.540) 12.936 11.863 ( 7.506 3.149 -5.441) 9.791 11.863 ( 7.506 3.149 5.441) 9.791 12.063 ( -10.967 2.314 -5.093) 12.311 12.063 ( -10.967 2.314 5.093) 12.311 12.872 ( 0.276 0.119 -0.902) 0.951 12.872 ( 0.276 0.119 0.902) 0.951 12.884 ( -1.096 0.016 -2.814) 3.020 12.884 ( -1.096 0.016 2.814) 3.020 13.291 ( 0.677 2.309 -2.629) 3.564 13.291 ( 0.677 2.309 2.629) 3.564 13.379 ( -7.027 1.585 -2.217) 7.537 13.379 ( -7.027 1.585 2.217) 7.537 14.675 ( 1.876 0.549 -2.987) 3.569 14.675 ( 1.876 0.549 2.987) 3.569 14.724 ( -2.621 -0.560 -3.860) 4.699 14.724 ( -2.621 -0.560 3.860) 4.699 16.235 ( 12.133 -1.008 -8.181) 14.668 16.235 ( 12.133 -1.008 8.181) 14.668 16.448 ( -8.106 -3.950 -10.888) 14.137 16.448 ( -8.106 -3.950 10.888) 14.137 22.033 ( 4.464 3.881 -0.544) 5.940 22.033 ( 4.464 3.881 0.544) 5.940 22.146 ( -5.933 3.841 -2.045) 7.358 22.146 ( -5.933 3.841 2.045) 7.358 23.458 ( 12.045 -2.220 -7.155) 14.184 23.458 ( 12.045 -2.220 7.155) 14.184 23.709 ( -11.488 -8.375 -9.523) 17.111 23.709 ( -11.488 -8.375 9.523) 17.111 24.531 ( 4.755 4.082 -6.949) 9.358 24.531 ( 4.755 4.082 6.949) 9.358 24.636 ( -5.123 1.133 -8.572) 10.050 24.636 ( -5.123 1.133 8.572) 10.050 25.071 ( 1.561 -0.083 -3.224) 3.583 25.071 ( 1.561 -0.083 3.224) 3.583 25.090 ( -0.006 -0.067 -2.803) 2.804 25.090 ( -0.006 -0.067 2.803) 2.804 ======================= Grid point 168 (57/60) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.120 ( 0.000 1.488 -10.603) 10.707 2.120 ( 0.000 1.488 10.603) 10.707 2.128 ( 0.000 0.558 -11.314) 11.328 2.128 ( 0.000 0.558 11.314) 11.328 2.862 ( 0.000 10.782 -7.382) 13.067 2.862 ( 0.000 10.782 7.382) 13.067 2.880 ( 0.000 4.436 -7.406) 8.633 2.880 ( 0.000 4.436 7.406) 8.633 3.060 ( 0.000 4.289 -11.749) 12.507 3.060 ( 0.000 4.289 11.749) 12.507 3.266 ( 0.000 -12.563 -9.255) 15.604 3.266 ( 0.000 -12.563 9.255) 15.604 3.604 ( 0.000 -1.188 -5.795) 5.915 3.604 ( 0.000 -1.188 5.795) 5.915 3.654 ( 0.000 -7.575 -12.555) 14.664 3.654 ( 0.000 -7.575 12.555) 14.664 4.094 ( 0.000 -1.251 -7.403) 7.508 4.094 ( 0.000 -1.251 7.403) 7.508 4.098 ( 0.000 -0.756 -5.807) 5.856 4.098 ( 0.000 -0.756 5.807) 5.856 4.568 ( 0.000 8.300 -5.719) 10.080 4.568 ( 0.000 8.300 5.719) 10.080 4.737 ( 0.000 -8.290 -6.641) 10.622 4.737 ( 0.000 -8.290 6.641) 10.622 5.025 ( 0.000 5.701 -7.115) 9.117 5.025 ( 0.000 5.701 7.115) 9.117 5.094 ( 0.000 -0.467 -5.753) 5.772 5.094 ( 0.000 -0.467 5.753) 5.772 5.587 ( 0.000 7.763 -1.992) 8.014 5.587 ( 0.000 7.763 1.992) 8.014 5.736 ( 0.000 -7.004 -3.792) 7.965 5.736 ( 0.000 -7.004 3.792) 7.965 6.454 ( 0.000 5.020 -10.124) 11.300 6.454 ( 0.000 5.020 10.124) 11.300 6.561 ( 0.000 -5.275 -9.824) 11.151 6.561 ( 0.000 -5.275 9.824) 11.151 7.357 ( 0.000 0.906 -16.003) 16.028 7.357 ( 0.000 0.906 16.003) 16.028 7.429 ( 0.000 -6.155 -12.997) 14.381 7.429 ( 0.000 -6.155 12.997) 14.381 7.869 ( 0.000 7.071 -12.715) 14.549 7.869 ( 0.000 7.071 12.715) 14.549 7.955 ( 0.000 -1.753 -15.482) 15.581 7.955 ( 0.000 -1.753 15.482) 15.581 8.583 ( 0.000 12.040 -4.630) 12.899 8.583 ( 0.000 12.040 4.630) 12.899 8.832 ( 0.000 -13.819 -4.680) 14.590 8.832 ( 0.000 -13.819 4.680) 14.590 9.589 ( 0.000 2.681 -3.112) 4.107 9.589 ( 0.000 2.681 3.112) 4.107 9.662 ( 0.000 -4.212 -1.658) 4.527 9.662 ( 0.000 -4.212 1.658) 4.527 10.220 ( 0.000 5.508 -14.495) 15.507 10.220 ( 0.000 5.508 14.495) 15.507 10.307 ( 0.000 -3.509 -13.709) 14.151 10.307 ( 0.000 -3.509 13.709) 14.151 11.547 ( 0.000 3.314 -1.896) 3.818 11.547 ( 0.000 3.314 1.896) 3.818 11.583 ( 0.000 -0.088 -5.945) 5.946 11.583 ( 0.000 -0.088 5.945) 5.946 12.126 ( 0.000 3.831 -7.179) 8.137 12.126 ( 0.000 3.831 7.179) 8.137 12.253 ( 0.000 -9.043 -5.839) 10.764 12.253 ( 0.000 -9.043 5.839) 10.764 12.937 ( 0.000 5.785 -3.306) 6.663 12.937 ( 0.000 5.785 3.306) 6.663 13.002 ( 0.000 -0.721 -3.741) 3.810 13.002 ( 0.000 -0.721 3.741) 3.810 13.764 ( 0.000 3.406 -14.226) 14.628 13.764 ( 0.000 3.406 14.226) 14.628 13.851 ( 0.000 -5.255 -13.674) 14.649 13.851 ( 0.000 -5.255 13.674) 14.649 14.819 ( 0.000 0.694 -5.217) 5.263 14.819 ( 0.000 0.694 5.217) 5.263 14.828 ( 0.000 -0.225 -1.176) 1.197 14.828 ( 0.000 -0.225 1.176) 1.197 15.734 ( 0.000 19.783 -10.590) 22.439 15.734 ( 0.000 19.783 10.590) 22.439 16.160 ( 0.000 -23.258 -14.613) 27.468 16.160 ( 0.000 -23.258 14.613) 27.468 22.107 ( 0.000 4.781 -6.799) 8.311 22.107 ( 0.000 4.781 6.799) 8.311 22.201 ( 0.000 -4.759 -6.700) 8.218 22.201 ( 0.000 -4.759 6.700) 8.218 23.328 ( 0.000 18.755 -6.532) 19.860 23.328 ( 0.000 18.755 6.532) 19.860 23.678 ( 0.000 -16.723 -8.337) 18.686 23.678 ( 0.000 -16.723 8.337) 18.686 24.742 ( 0.000 3.114 -8.309) 8.873 24.742 ( 0.000 3.114 8.309) 8.873 24.784 ( 0.000 -1.022 -7.630) 7.698 24.784 ( 0.000 -1.022 7.630) 7.698 24.929 ( 0.000 -0.204 -10.255) 10.257 24.929 ( 0.000 -0.204 10.255) 10.257 24.936 ( 0.000 -1.115 -5.801) 5.907 24.936 ( 0.000 -1.115 5.801) 5.907 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.127 ( 0.390 2.684 -7.353) 7.837 2.127 ( 0.390 2.684 7.353) 7.837 2.158 ( 2.314 -0.288 -9.234) 9.524 2.158 ( 2.314 -0.288 9.234) 9.524 2.693 ( -15.310 1.286 -16.969) 22.891 2.693 ( -15.310 1.286 16.969) 22.891 2.849 ( -4.909 7.098 -1.627) 8.782 2.849 ( -4.909 7.098 1.627) 8.782 3.027 ( -0.153 7.010 -3.038) 7.641 3.027 ( -0.153 7.010 3.038) 7.641 3.209 ( -2.809 -10.012 -3.064) 10.841 3.209 ( -2.809 -10.012 3.064) 10.841 3.590 ( 0.910 0.626 -3.477) 3.649 3.590 ( 0.910 0.626 3.477) 3.649 3.699 ( 0.343 -9.610 -2.305) 9.888 3.699 ( 0.343 -9.610 2.305) 9.888 4.013 ( 0.570 -0.411 -7.733) 7.765 4.013 ( 0.570 -0.411 7.733) 7.765 4.279 ( 6.446 1.907 -6.367) 9.259 4.279 ( 6.446 1.907 6.367) 9.259 4.560 ( -1.315 5.220 -3.155) 6.239 4.560 ( -1.315 5.220 3.155) 6.239 4.743 ( 0.797 -4.543 -2.627) 5.308 4.743 ( 0.797 -4.543 2.627) 5.308 4.990 ( 0.710 3.551 -5.721) 6.771 4.990 ( 0.710 3.551 5.721) 6.771 5.162 ( 3.053 -0.043 -4.218) 5.207 5.162 ( 3.053 -0.043 4.218) 5.207 5.489 ( -4.391 1.670 -4.342) 6.397 5.489 ( -4.391 1.670 4.342) 6.397 5.853 ( 7.262 -2.602 -1.265) 7.817 5.853 ( 7.262 -2.602 1.265) 7.817 6.356 ( -8.422 4.713 -9.260) 13.375 6.356 ( -8.422 4.713 9.260) 13.375 6.473 ( -7.488 -6.022 -7.316) 12.077 6.473 ( -7.488 -6.022 7.316) 12.077 7.375 ( 1.151 1.770 -13.864) 14.024 7.375 ( 1.151 1.770 13.864) 14.024 7.536 ( 6.692 -1.349 -7.660) 10.261 7.536 ( 6.692 -1.349 7.660) 10.261 7.812 ( -2.013 3.221 -7.499) 8.406 7.812 ( -2.013 3.221 7.499) 8.406 8.053 ( 8.533 -3.922 -17.346) 19.725 8.053 ( 8.533 -3.922 17.346) 19.725 8.649 ( 6.727 11.006 -3.592) 13.390 8.649 ( 6.727 11.006 3.592) 13.390 8.901 ( 4.197 -10.804 -4.800) 12.545 8.901 ( 4.197 -10.804 4.800) 12.545 9.469 ( -5.145 -0.698 -2.019) 5.571 9.469 ( -5.145 -0.698 2.019) 5.571 9.738 ( 1.982 0.512 -4.026) 4.517 9.738 ( 1.982 0.512 4.026) 4.517 10.153 ( -4.673 3.448 -15.033) 16.116 10.153 ( -4.673 3.448 15.033) 16.116 10.319 ( -0.271 -2.257 -12.355) 12.562 10.319 ( -0.271 -2.257 12.355) 12.562 11.505 ( -2.447 1.487 -5.512) 6.211 11.505 ( -2.447 1.487 5.512) 6.211 11.635 ( 3.508 0.947 -4.060) 5.449 11.635 ( 3.508 0.947 4.060) 5.449 12.011 ( -8.090 -0.798 -8.947) 12.089 12.011 ( -8.090 -0.798 8.947) 12.089 12.312 ( 2.082 -3.672 -5.304) 6.779 12.312 ( 2.082 -3.672 5.304) 6.779 12.901 ( -2.459 3.363 -4.699) 6.280 12.901 ( -2.459 3.363 4.699) 6.280 12.984 ( -1.860 0.272 -4.086) 4.498 12.984 ( -1.860 0.272 4.086) 4.498 13.625 ( -10.301 0.267 -11.391) 15.360 13.625 ( -10.301 0.267 11.391) 15.360 13.792 ( -7.225 -0.441 -10.414) 12.683 13.792 ( -7.225 -0.441 10.414) 12.683 14.753 ( -4.033 2.432 -1.281) 4.880 14.753 ( -4.033 2.432 1.281) 4.880 14.797 ( -2.694 -1.789 -2.948) 4.376 14.797 ( -2.694 -1.789 2.948) 4.376 15.808 ( 7.175 10.326 -4.923) 13.504 15.808 ( 7.175 10.326 4.923) 13.504 16.276 ( 8.127 -14.555 -14.577) 22.144 16.276 ( 8.127 -14.555 14.577) 22.144 22.052 ( -2.468 2.553 -4.974) 6.111 22.052 ( -2.468 2.553 4.974) 6.111 22.267 ( 3.323 -1.684 -7.366) 8.254 22.267 ( 3.323 -1.684 7.366) 8.254 23.333 ( 0.663 16.880 -6.506) 18.103 23.333 ( 0.663 16.880 6.506) 18.103 23.671 ( -1.061 -16.867 -8.995) 19.145 23.671 ( -1.061 -16.867 8.995) 19.145 24.625 ( -4.745 2.864 -9.642) 11.122 24.625 ( -4.745 2.864 9.642) 11.122 24.812 ( -3.599 -1.201 -4.210) 5.667 24.812 ( -3.599 -1.201 4.210) 5.667 24.952 ( 5.508 0.877 -3.964) 6.842 24.952 ( 5.508 0.877 3.964) 6.842 24.997 ( 2.688 -0.918 -6.906) 7.467 24.997 ( 2.688 -0.918 6.906) 7.467 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -7.959 5.916 -5.184) 11.190 2.071 ( -7.959 5.916 5.184) 11.190 2.160 ( -4.934 -3.104 -1.245) 5.961 2.160 ( -4.934 -3.104 1.245) 5.961 2.434 ( -3.381 -1.772 -7.704) 8.598 2.434 ( -3.381 -1.772 7.704) 8.598 2.661 ( -8.964 -0.295 -3.273) 9.548 2.661 ( -8.964 -0.295 3.273) 9.548 3.086 ( 4.094 7.984 -7.978) 12.006 3.086 ( 4.094 7.984 7.978) 12.006 3.214 ( 2.220 -1.431 -5.775) 6.351 3.214 ( 2.220 -1.431 5.775) 6.351 3.589 ( -1.764 -3.014 -2.827) 4.493 3.589 ( -1.764 -3.014 2.827) 4.493 3.680 ( -0.968 -5.437 -4.205) 6.941 3.680 ( -0.968 -5.437 4.205) 6.941 4.060 ( 2.524 1.033 -8.411) 8.842 4.060 ( 2.524 1.033 8.411) 8.842 4.311 ( -2.778 1.771 -3.767) 5.004 4.311 ( -2.778 1.771 3.767) 5.004 4.515 ( -1.627 1.096 -2.416) 3.112 4.515 ( -1.627 1.096 2.416) 3.112 4.759 ( -1.008 5.423 -4.235) 6.954 4.759 ( -1.008 5.423 4.235) 6.954 5.095 ( 8.364 -1.539 -4.622) 9.679 5.095 ( 8.364 -1.539 4.622) 9.679 5.197 ( 2.598 -3.029 -3.894) 5.575 5.197 ( 2.598 -3.029 3.894) 5.575 5.485 ( 2.933 1.040 -3.186) 4.453 5.485 ( 2.933 1.040 3.186) 4.453 5.982 ( 3.650 -1.798 -3.036) 5.077 5.982 ( 3.650 -1.798 3.036) 5.077 6.141 ( -10.826 2.761 -7.749) 13.597 6.141 ( -10.826 2.761 7.749) 13.597 6.298 ( -8.014 -5.759 -4.290) 10.761 6.298 ( -8.014 -5.759 4.290) 10.761 7.385 ( 0.148 4.948 -11.871) 12.862 7.385 ( 0.148 4.948 11.871) 12.862 7.546 ( -4.350 4.231 -15.566) 16.707 7.546 ( -4.350 4.231 15.566) 16.707 7.920 ( 10.543 -4.681 -7.257) 13.628 7.920 ( 10.543 -4.681 7.257) 13.628 8.273 ( 9.731 -5.273 -17.510) 20.714 8.273 ( 9.731 -5.273 17.510) 20.714 8.811 ( 5.949 7.749 -8.263) 12.795 8.811 ( 5.949 7.749 8.263) 12.795 8.974 ( 6.114 -5.661 -4.265) 9.361 8.974 ( 6.114 -5.661 4.265) 9.361 9.455 ( 3.058 0.810 -4.803) 5.752 9.455 ( 3.058 0.810 4.803) 5.752 9.699 ( -5.706 2.697 -7.372) 9.704 9.699 ( -5.706 2.697 7.372) 9.704 10.073 ( -2.285 1.674 -13.763) 14.051 10.073 ( -2.285 1.674 13.763) 14.051 10.270 ( -4.484 -2.462 -10.855) 12.000 10.270 ( -4.484 -2.462 10.855) 12.000 11.463 ( -1.244 0.122 -8.416) 8.508 11.463 ( -1.244 0.122 8.416) 8.508 11.704 ( 0.777 -0.908 -6.131) 6.247 11.704 ( 0.777 -0.908 6.131) 6.247 11.841 ( -5.369 -1.045 -8.109) 9.781 11.841 ( -5.369 -1.045 8.109) 9.781 12.273 ( -6.070 -0.543 -4.887) 7.812 12.273 ( -6.070 -0.543 4.887) 7.812 12.873 ( -0.096 0.856 -4.122) 4.211 12.873 ( -0.096 0.856 4.122) 4.211 12.930 ( -2.872 0.224 -4.701) 5.514 12.930 ( -2.872 0.224 4.701) 5.514 13.416 ( -8.110 1.058 -8.657) 11.910 13.416 ( -8.110 1.058 8.657) 11.910 13.589 ( -10.326 0.873 -3.262) 10.864 13.589 ( -10.326 0.873 3.262) 10.864 14.697 ( -1.318 2.468 -1.619) 3.233 14.697 ( -1.318 2.468 1.619) 3.233 14.744 ( -2.117 -2.260 -2.687) 4.100 14.744 ( -2.117 -2.260 2.687) 4.100 16.004 ( 10.673 2.860 -5.951) 12.550 16.004 ( 10.673 2.860 5.951) 12.550 16.399 ( 2.568 -6.660 -12.709) 14.576 16.399 ( 2.568 -6.660 12.709) 14.576 22.040 ( 1.430 2.526 -2.628) 3.915 22.040 ( 1.430 2.526 2.628) 3.915 22.290 ( -1.479 0.653 -6.246) 6.452 22.290 ( -1.479 0.653 6.246) 6.452 23.366 ( 2.618 10.856 -6.545) 12.944 23.366 ( 2.618 10.856 6.545) 12.944 23.624 ( -3.396 -14.860 -8.907) 17.654 23.624 ( -3.396 -14.860 8.907) 17.654 24.576 ( -0.122 3.593 -9.290) 9.961 24.576 ( -0.122 3.593 9.290) 9.961 24.726 ( -4.003 -0.898 -6.007) 7.274 24.726 ( -4.003 -0.898 6.007) 7.274 25.033 ( 2.052 0.324 -5.139) 5.542 25.033 ( 2.052 0.324 5.139) 5.542 25.058 ( 2.894 -0.366 -3.377) 4.462 25.058 ( 2.894 -0.366 3.377) 4.462 ======================= Grid point 174 (60/60) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -3.460 2.121 -6.202) 7.412 1.904 ( -3.460 2.121 6.202) 7.412 1.979 ( -9.152 -1.885 -3.650) 10.032 1.979 ( -9.152 -1.885 3.650) 10.032 2.489 ( 4.457 -0.633 -9.641) 10.640 2.489 ( 4.457 -0.633 9.641) 10.640 2.558 ( -2.428 -1.186 -4.722) 5.441 2.558 ( -2.428 -1.186 4.722) 5.441 3.166 ( 3.654 4.115 -4.153) 6.894 3.166 ( 3.654 4.115 4.153) 6.894 3.232 ( -1.705 2.230 -4.732) 5.502 3.232 ( -1.705 2.230 4.732) 5.502 3.575 ( 1.825 -2.445 -4.716) 5.617 3.575 ( 1.825 -2.445 4.716) 5.617 3.642 ( -3.171 -2.322 -5.997) 7.170 3.642 ( -3.171 -2.322 5.997) 7.170 4.116 ( 3.509 0.689 -6.872) 7.747 4.116 ( 3.509 0.689 6.872) 7.747 4.213 ( -5.423 -0.039 -4.208) 6.864 4.213 ( -5.423 -0.039 4.208) 6.864 4.542 ( 4.267 2.120 -3.575) 5.957 4.542 ( 4.267 2.120 3.575) 5.957 4.667 ( -6.660 4.638 -1.575) 8.268 4.667 ( -6.660 4.638 1.576) 8.268 5.264 ( 6.795 -2.471 -2.437) 7.630 5.264 ( 6.795 -2.471 2.437) 7.630 5.314 ( 4.390 -2.328 -5.717) 7.575 5.314 ( 4.390 -2.328 5.717) 7.575 5.566 ( 6.614 1.408 -4.550) 8.151 5.566 ( 6.614 1.408 4.550) 8.151 5.811 ( -14.361 0.673 -8.781) 16.847 5.811 ( -14.361 0.673 8.781) 16.847 6.108 ( 2.933 -2.256 -1.808) 4.118 6.108 ( 2.933 -2.256 1.808) 4.118 6.173 ( -3.948 -3.947 -3.768) 6.735 6.173 ( -3.948 -3.947 3.768) 6.735 7.400 ( 1.548 5.494 -12.141) 13.416 7.400 ( 1.548 5.494 12.141) 13.416 7.454 ( -3.655 4.327 -13.876) 14.987 7.454 ( -3.655 4.327 13.876) 14.987 8.145 ( 10.150 -5.543 -4.852) 12.542 8.145 ( 10.150 -5.543 4.852) 12.542 8.320 ( -5.256 -5.721 -6.420) 10.079 8.320 ( -5.256 -5.721 6.420) 10.079 8.975 ( 11.218 1.206 -20.910) 23.760 8.975 ( 11.218 1.206 20.910) 23.760 9.120 ( 1.858 0.468 -13.833) 13.965 9.120 ( 1.858 0.468 13.833) 13.965 9.510 ( 1.049 5.553 -5.535) 7.911 9.510 ( 1.049 5.553 5.535) 7.911 9.561 ( -4.770 3.073 -6.249) 8.441 9.561 ( -4.770 3.073 6.249) 8.441 10.068 ( 1.832 -0.659 -11.617) 11.779 10.068 ( 1.832 -0.659 11.617) 11.779 10.152 ( -5.823 -2.611 -10.881) 12.614 10.152 ( -5.823 -2.611 10.881) 12.614 11.471 ( 2.483 -1.710 -10.685) 11.102 11.471 ( 2.483 -1.710 10.685) 11.102 11.579 ( -7.650 -3.417 -12.383) 14.952 11.579 ( -7.650 -3.417 12.383) 14.952 11.909 ( 7.694 1.261 -5.859) 9.753 11.909 ( 7.694 1.261 5.859) 9.753 12.096 ( -9.626 0.872 -6.274) 11.523 12.096 ( -9.626 0.872 6.274) 11.523 12.875 ( -0.037 0.154 -1.326) 1.335 12.875 ( -0.037 0.154 1.326) 1.335 12.884 ( -1.255 -0.065 -3.728) 3.934 12.884 ( -1.255 -0.065 3.728) 3.934 13.332 ( 0.260 1.392 -3.449) 3.728 13.332 ( 0.260 1.392 3.449) 3.728 13.408 ( -6.528 1.051 -1.155) 6.712 13.408 ( -6.528 1.051 1.155) 6.712 14.689 ( 0.439 0.917 -2.381) 2.589 14.689 ( 0.439 0.917 2.381) 2.589 14.709 ( -1.328 -0.936 -2.495) 2.977 14.709 ( -1.328 -0.936 2.495) 2.977 16.220 ( 9.385 -0.316 -6.905) 11.656 16.220 ( 9.385 -0.316 6.905) 11.656 16.373 ( -4.756 -2.762 -9.566) 11.034 16.373 ( -4.756 -2.762 9.566) 11.034 22.107 ( 4.665 2.750 -1.586) 5.642 22.107 ( 4.665 2.750 1.586) 5.642 22.215 ( -5.067 2.365 -3.668) 6.687 22.215 ( -5.067 2.365 3.668) 6.687 23.441 ( 4.362 1.602 -6.834) 8.264 23.441 ( 4.362 1.602 6.834) 8.264 23.537 ( -4.622 -8.009 -7.729) 12.052 23.537 ( -4.622 -8.009 7.729) 12.052 24.600 ( 2.029 2.393 -7.411) 8.048 24.600 ( 2.029 2.393 7.411) 8.048 24.653 ( -2.979 0.337 -6.452) 7.115 24.653 ( -2.979 0.337 6.452) 7.115 25.069 ( 1.475 -0.023 -3.928) 4.196 25.069 ( 1.475 -0.023 3.928) 4.196 25.088 ( 0.016 -0.082 -3.094) 3.095 25.088 ( 0.016 -0.082 3.094) 3.095 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/26880 10.0 296.025 386.766 265.113 0.000 0.000 -0.000 3/26880 20.0 77.686 72.690 64.172 0.000 0.000 -0.000 3/26880 30.0 37.360 30.374 28.876 0.000 0.000 -0.000 3/26880 40.0 23.084 17.698 17.587 0.000 0.000 -0.000 3/26880 50.0 16.248 12.214 12.398 0.000 0.000 -0.000 3/26880 60.0 12.409 9.249 9.518 0.000 0.000 -0.000 3/26880 70.0 9.998 7.409 7.714 0.000 0.000 -0.000 3/26880 80.0 8.356 6.161 6.487 0.000 0.000 -0.000 3/26880 90.0 7.170 5.262 5.599 0.000 0.000 -0.000 3/26880 100.0 6.276 4.587 4.928 0.000 0.000 -0.000 3/26880 110.0 5.578 4.062 4.404 0.000 0.000 -0.000 3/26880 120.0 5.020 3.644 3.983 0.000 0.000 -0.000 3/26880 130.0 4.564 3.305 3.639 0.000 0.000 -0.000 3/26880 140.0 4.186 3.024 3.351 0.000 0.000 -0.000 3/26880 150.0 3.867 2.788 3.108 0.000 0.000 -0.000 3/26880 160.0 3.595 2.587 2.900 0.000 0.000 -0.000 3/26880 170.0 3.360 2.415 2.719 0.000 0.000 -0.000 3/26880 180.0 3.155 2.265 2.562 0.000 0.000 -0.000 3/26880 190.0 2.974 2.134 2.423 0.000 0.000 -0.000 3/26880 200.0 2.814 2.018 2.299 0.000 0.000 -0.000 3/26880 210.0 2.672 1.915 2.189 0.000 0.000 -0.000 3/26880 220.0 2.544 1.823 2.089 0.000 0.000 -0.000 3/26880 230.0 2.428 1.740 1.999 0.000 0.000 -0.000 3/26880 240.0 2.323 1.665 1.918 0.000 0.000 -0.000 3/26880 250.0 2.227 1.596 1.843 0.000 0.000 -0.000 3/26880 260.0 2.139 1.533 1.774 0.000 0.000 -0.000 3/26880 270.0 2.058 1.476 1.711 0.000 0.000 -0.000 3/26880 280.0 1.983 1.423 1.652 0.000 0.000 -0.000 3/26880 290.0 1.914 1.374 1.598 0.000 0.000 -0.000 3/26880 300.0 1.850 1.328 1.547 0.000 0.000 -0.000 3/26880 310.0 1.790 1.285 1.500 0.000 0.000 -0.000 3/26880 320.0 1.734 1.246 1.455 0.000 0.000 -0.000 3/26880 330.0 1.681 1.209 1.414 0.000 0.000 -0.000 3/26880 340.0 1.632 1.174 1.375 0.000 0.000 -0.000 3/26880 350.0 1.585 1.141 1.338 0.000 0.000 -0.000 3/26880 360.0 1.542 1.110 1.303 0.000 0.000 -0.000 3/26880 370.0 1.500 1.081 1.270 0.000 0.000 -0.000 3/26880 380.0 1.461 1.053 1.239 0.000 0.000 -0.000 3/26880 390.0 1.424 1.027 1.209 0.000 0.000 -0.000 3/26880 400.0 1.389 1.002 1.180 0.000 0.000 -0.000 3/26880 410.0 1.355 0.978 1.153 0.000 0.000 -0.000 3/26880 420.0 1.324 0.955 1.128 0.000 0.000 -0.000 3/26880 430.0 1.293 0.934 1.103 0.000 0.000 -0.000 3/26880 440.0 1.264 0.913 1.080 0.000 0.000 -0.000 3/26880 450.0 1.236 0.894 1.057 0.000 0.000 -0.000 3/26880 460.0 1.210 0.875 1.036 0.000 0.000 -0.000 3/26880 470.0 1.185 0.857 1.015 0.000 0.000 -0.000 3/26880 480.0 1.160 0.839 0.995 0.000 0.000 -0.000 3/26880 490.0 1.137 0.823 0.976 0.000 0.000 -0.000 3/26880 500.0 1.115 0.807 0.957 0.000 0.000 -0.000 3/26880 510.0 1.093 0.792 0.940 0.000 0.000 -0.000 3/26880 520.0 1.072 0.777 0.923 0.000 0.000 -0.000 3/26880 530.0 1.052 0.763 0.906 0.000 0.000 -0.000 3/26880 540.0 1.033 0.749 0.890 0.000 0.000 -0.000 3/26880 550.0 1.015 0.736 0.875 0.000 0.000 -0.000 3/26880 560.0 0.997 0.723 0.860 0.000 0.000 -0.000 3/26880 570.0 0.980 0.711 0.846 0.000 0.000 -0.000 3/26880 580.0 0.963 0.699 0.832 0.000 0.000 -0.000 3/26880 590.0 0.947 0.687 0.819 0.000 0.000 -0.000 3/26880 600.0 0.931 0.676 0.806 0.000 0.000 -0.000 3/26880 610.0 0.916 0.665 0.793 0.000 0.000 -0.000 3/26880 620.0 0.902 0.655 0.781 0.000 0.000 -0.000 3/26880 630.0 0.888 0.645 0.769 0.000 0.000 -0.000 3/26880 640.0 0.874 0.635 0.758 0.000 0.000 -0.000 3/26880 650.0 0.861 0.626 0.747 0.000 0.000 -0.000 3/26880 660.0 0.848 0.616 0.736 0.000 0.000 -0.000 3/26880 670.0 0.835 0.607 0.725 0.000 0.000 -0.000 3/26880 680.0 0.823 0.599 0.715 0.000 0.000 -0.000 3/26880 690.0 0.811 0.590 0.705 0.000 0.000 -0.000 3/26880 700.0 0.800 0.582 0.695 0.000 0.000 -0.000 3/26880 710.0 0.789 0.574 0.686 0.000 0.000 -0.000 3/26880 720.0 0.778 0.566 0.677 0.000 0.000 -0.000 3/26880 730.0 0.768 0.559 0.668 0.000 0.000 -0.000 3/26880 740.0 0.757 0.551 0.659 0.000 0.000 -0.000 3/26880 750.0 0.747 0.544 0.651 0.000 0.000 -0.000 3/26880 760.0 0.738 0.537 0.643 0.000 0.000 -0.000 3/26880 770.0 0.728 0.530 0.635 0.000 0.000 -0.000 3/26880 780.0 0.719 0.524 0.627 0.000 0.000 -0.000 3/26880 790.0 0.710 0.517 0.619 0.000 0.000 -0.000 3/26880 800.0 0.701 0.511 0.612 0.000 0.000 -0.000 3/26880 810.0 0.693 0.505 0.604 0.000 0.000 -0.000 3/26880 820.0 0.684 0.499 0.597 0.000 0.000 -0.000 3/26880 830.0 0.676 0.493 0.590 0.000 0.000 -0.000 3/26880 840.0 0.668 0.487 0.583 0.000 0.000 -0.000 3/26880 850.0 0.660 0.481 0.577 0.000 0.000 -0.000 3/26880 860.0 0.653 0.476 0.570 0.000 0.000 -0.000 3/26880 870.0 0.645 0.470 0.564 0.000 0.000 -0.000 3/26880 880.0 0.638 0.465 0.558 0.000 0.000 -0.000 3/26880 890.0 0.631 0.460 0.552 0.000 0.000 -0.000 3/26880 900.0 0.624 0.455 0.546 0.000 0.000 -0.000 3/26880 910.0 0.617 0.450 0.540 0.000 0.000 -0.000 3/26880 920.0 0.611 0.445 0.534 0.000 0.000 -0.000 3/26880 930.0 0.604 0.441 0.529 0.000 0.000 -0.000 3/26880 940.0 0.598 0.436 0.523 0.000 0.000 -0.000 3/26880 950.0 0.591 0.432 0.518 0.000 0.000 -0.000 3/26880 960.0 0.585 0.427 0.512 0.000 0.000 -0.000 3/26880 970.0 0.579 0.423 0.507 0.000 0.000 -0.000 3/26880 980.0 0.574 0.419 0.502 0.000 0.000 -0.000 3/26880 990.0 0.568 0.414 0.497 0.000 0.000 -0.000 3/26880 1000.0 0.562 0.410 0.492 0.000 0.000 -0.000 3/26880 Thermal conductivity related properties were written into "kappa-m758.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:33:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|