----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:31:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447024728220827 0.000000000000000 0.000000000000000 b -2.723512364110413 4.717261789681263 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546319130000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.35229811101067 22.990 2 Na 0.00000000000000 0.00000000000000 0.14770188898933 22.990 3 Na 0.00000000000000 0.00000000000000 0.85229811101067 22.990 4 Na 0.00000000000000 0.00000000000000 0.64770188898933 22.990 *5 Sn 0.33333333333333 0.66666666666667 0.18791870466046 118.710 *6 Sn 0.33333333333333 0.66666666666667 0.47539370659320 118.710 7 Sn 0.33333333333333 0.66666666666667 0.68791870466046 118.710 8 Sn 0.33333333333333 0.66666666666667 0.97539370659320 118.710 9 Sn 0.66666666666667 0.33333333333333 0.31208129533954 118.710 10 Sn 0.66666666666667 0.33333333333333 0.81208129533954 118.710 11 Sn 0.66666666666667 0.33333333333333 0.02460629340680 118.710 12 Sn 0.66666666666667 0.33333333333333 0.52460629340680 118.710 *13 O 0.00000000000000 0.33773431588071 0.75000000000000 15.999 *14 O 0.04049238203513 0.39899226322133 0.07969459029149 15.999 15 O 0.35849988118620 0.39899226322133 0.57969459029149 15.999 16 O 0.00000000000000 0.66226568411930 0.25000000000000 15.999 17 O 0.04049238203513 0.64150011881380 0.57969459029149 15.999 18 O 0.35849988118620 0.95950761796487 0.07969459029149 15.999 19 O 0.33773431588071 0.00000000000000 0.75000000000000 15.999 20 O 0.39899226322133 0.04049238203513 0.42030540970851 15.999 21 O 0.60100773677867 0.64150011881380 0.07969459029149 15.999 22 O 0.33773431588071 0.33773431588071 0.25000000000000 15.999 23 O 0.39899226322133 0.35849988118620 0.92030540970851 15.999 24 O 0.60100773677867 0.95950761796487 0.57969459029149 15.999 25 O 0.66226568411930 0.00000000000000 0.25000000000000 15.999 26 O 0.64150011881380 0.04049238203513 0.92030540970851 15.999 27 O 0.95950761796487 0.35849988118620 0.42030540970851 15.999 28 O 0.64150011881380 0.60100773677867 0.42030540970851 15.999 29 O 0.66226568411930 0.66226568411930 0.75000000000000 15.999 30 O 0.95950761796487 0.60100773677867 0.92030540970851 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.447024728220827 0.000000000000000 0.000000000000000 b -2.723512364110413 4.717261789681263 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546319130000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.35229811101067 22.990 > 1 2 Na 0.00000000000000 0.00000000000000 0.14770188898933 22.990 > 2 3 Na 0.00000000000000 0.00000000000000 0.85229811101067 22.990 > 3 4 Na 0.00000000000000 0.00000000000000 0.64770188898933 22.990 > 4 *5 Sn 0.33333333333333 0.66666666666667 0.18791870466046 118.710 > 5 *6 Sn 0.33333333333333 0.66666666666667 0.47539370659320 118.710 > 6 7 Sn 0.33333333333333 0.66666666666667 0.68791870466046 118.710 > 7 8 Sn 0.33333333333333 0.66666666666667 0.97539370659320 118.710 > 8 9 Sn 0.66666666666667 0.33333333333333 0.31208129533954 118.710 > 9 10 Sn 0.66666666666667 0.33333333333333 0.81208129533954 118.710 > 10 11 Sn 0.66666666666667 0.33333333333333 0.02460629340680 118.710 > 11 12 Sn 0.66666666666667 0.33333333333333 0.52460629340680 118.710 > 12 *13 O 0.00000000000000 0.33773431588071 0.75000000000000 15.999 > 13 *14 O 0.04049238203513 0.39899226322133 0.07969459029149 15.999 > 14 15 O 0.35849988118620 0.39899226322133 0.57969459029149 15.999 > 15 16 O 0.00000000000000 0.66226568411930 0.25000000000000 15.999 > 16 17 O 0.04049238203513 0.64150011881380 0.57969459029149 15.999 > 17 18 O 0.35849988118620 0.95950761796487 0.07969459029149 15.999 > 18 19 O 0.33773431588071 0.00000000000000 0.75000000000000 15.999 > 19 20 O 0.39899226322133 0.04049238203513 0.42030540970851 15.999 > 20 21 O 0.60100773677867 0.64150011881380 0.07969459029149 15.999 > 21 22 O 0.33773431588071 0.33773431588071 0.25000000000000 15.999 > 22 23 O 0.39899226322133 0.35849988118620 0.92030540970851 15.999 > 23 24 O 0.60100773677867 0.95950761796487 0.57969459029149 15.999 > 24 25 O 0.66226568411930 0.00000000000000 0.25000000000000 15.999 > 25 26 O 0.64150011881380 0.04049238203513 0.92030540970851 15.999 > 26 27 O 0.95950761796487 0.35849988118620 0.42030540970851 15.999 > 27 28 O 0.64150011881380 0.60100773677867 0.42030540970851 15.999 > 28 29 O 0.66226568411930 0.66226568411930 0.75000000000000 15.999 > 29 30 O 0.95950761796487 0.60100773677867 0.92030540970851 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.894049456441653 0.000000000000000 0.000000000000000 b -5.447024728220826 9.434523579362526 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546319130000001 Atomic positions (fractional): *1 Na 0.00000000000000 0.00000000000000 0.35229811101067 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.35229811101067 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.35229811101067 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.35229811101067 22.990 > 1 5 Na 0.00000000000000 0.00000000000000 0.14770188898933 22.990 > 2 6 Na 0.50000000000000 0.00000000000000 0.14770188898933 22.990 > 2 7 Na 0.00000000000000 0.50000000000000 0.14770188898933 22.990 > 2 8 Na 0.50000000000000 0.50000000000000 0.14770188898933 22.990 > 2 9 Na 0.00000000000000 0.00000000000000 0.85229811101067 22.990 > 3 10 Na 0.50000000000000 0.00000000000000 0.85229811101067 22.990 > 3 11 Na 0.00000000000000 0.50000000000000 0.85229811101067 22.990 > 3 12 Na 0.50000000000000 0.50000000000000 0.85229811101067 22.990 > 3 13 Na 0.00000000000000 0.00000000000000 0.64770188898933 22.990 > 4 14 Na 0.50000000000000 0.00000000000000 0.64770188898933 22.990 > 4 15 Na 0.00000000000000 0.50000000000000 0.64770188898933 22.990 > 4 16 Na 0.50000000000000 0.50000000000000 0.64770188898933 22.990 > 4 *17 Sn 0.16666666666667 0.33333333333333 0.18791870466046 118.710 > 5 18 Sn 0.66666666666667 0.33333333333333 0.18791870466046 118.710 > 5 19 Sn 0.16666666666667 0.83333333333333 0.18791870466046 118.710 > 5 20 Sn 0.66666666666667 0.83333333333333 0.18791870466046 118.710 > 5 *21 Sn 0.16666666666667 0.33333333333333 0.47539370659320 118.710 > 6 22 Sn 0.66666666666667 0.33333333333333 0.47539370659320 118.710 > 6 23 Sn 0.16666666666667 0.83333333333333 0.47539370659320 118.710 > 6 24 Sn 0.66666666666667 0.83333333333333 0.47539370659320 118.710 > 6 25 Sn 0.16666666666667 0.33333333333333 0.68791870466046 118.710 > 7 26 Sn 0.66666666666667 0.33333333333333 0.68791870466046 118.710 > 7 27 Sn 0.16666666666667 0.83333333333333 0.68791870466046 118.710 > 7 28 Sn 0.66666666666667 0.83333333333333 0.68791870466046 118.710 > 7 29 Sn 0.16666666666667 0.33333333333333 0.97539370659320 118.710 > 8 30 Sn 0.66666666666667 0.33333333333333 0.97539370659320 118.710 > 8 31 Sn 0.16666666666667 0.83333333333333 0.97539370659320 118.710 > 8 32 Sn 0.66666666666667 0.83333333333333 0.97539370659320 118.710 > 8 33 Sn 0.33333333333333 0.16666666666667 0.31208129533954 118.710 > 9 34 Sn 0.83333333333333 0.16666666666667 0.31208129533954 118.710 > 9 35 Sn 0.33333333333333 0.66666666666667 0.31208129533954 118.710 > 9 36 Sn 0.83333333333333 0.66666666666667 0.31208129533954 118.710 > 9 37 Sn 0.33333333333333 0.16666666666667 0.81208129533954 118.710 > 10 38 Sn 0.83333333333333 0.16666666666667 0.81208129533954 118.710 > 10 39 Sn 0.33333333333333 0.66666666666667 0.81208129533954 118.710 > 10 40 Sn 0.83333333333333 0.66666666666667 0.81208129533954 118.710 > 10 41 Sn 0.33333333333333 0.16666666666667 0.02460629340680 118.710 > 11 42 Sn 0.83333333333333 0.16666666666667 0.02460629340680 118.710 > 11 43 Sn 0.33333333333333 0.66666666666667 0.02460629340680 118.710 > 11 44 Sn 0.83333333333333 0.66666666666667 0.02460629340680 118.710 > 11 45 Sn 0.33333333333333 0.16666666666667 0.52460629340680 118.710 > 12 46 Sn 0.83333333333333 0.16666666666667 0.52460629340680 118.710 > 12 47 Sn 0.33333333333333 0.66666666666667 0.52460629340680 118.710 > 12 48 Sn 0.83333333333333 0.66666666666667 0.52460629340680 118.710 > 12 *49 O 0.00000000000000 0.16886715794035 0.75000000000000 15.999 > 13 50 O 0.50000000000000 0.16886715794035 0.75000000000000 15.999 > 13 51 O 0.00000000000000 0.66886715794035 0.75000000000000 15.999 > 13 52 O 0.50000000000000 0.66886715794035 0.75000000000000 15.999 > 13 *53 O 0.02024619101757 0.19949613161066 0.07969459029149 15.999 > 14 54 O 0.52024619101756 0.19949613161066 0.07969459029149 15.999 > 14 55 O 0.02024619101757 0.69949613161066 0.07969459029149 15.999 > 14 56 O 0.52024619101756 0.69949613161066 0.07969459029149 15.999 > 14 57 O 0.17924994059310 0.19949613161066 0.57969459029149 15.999 > 15 58 O 0.67924994059310 0.19949613161066 0.57969459029149 15.999 > 15 59 O 0.17924994059310 0.69949613161066 0.57969459029149 15.999 > 15 60 O 0.67924994059310 0.69949613161066 0.57969459029149 15.999 > 15 61 O 0.00000000000000 0.33113284205965 0.25000000000000 15.999 > 16 62 O 0.50000000000000 0.33113284205965 0.25000000000000 15.999 > 16 63 O 0.00000000000000 0.83113284205965 0.25000000000000 15.999 > 16 64 O 0.50000000000000 0.83113284205965 0.25000000000000 15.999 > 16 65 O 0.02024619101757 0.32075005940690 0.57969459029149 15.999 > 17 66 O 0.52024619101756 0.32075005940690 0.57969459029149 15.999 > 17 67 O 0.02024619101757 0.82075005940690 0.57969459029149 15.999 > 17 68 O 0.52024619101756 0.82075005940690 0.57969459029149 15.999 > 17 69 O 0.17924994059310 0.47975380898244 0.07969459029149 15.999 > 18 70 O 0.67924994059310 0.47975380898244 0.07969459029149 15.999 > 18 71 O 0.17924994059310 0.97975380898244 0.07969459029149 15.999 > 18 72 O 0.67924994059310 0.97975380898244 0.07969459029149 15.999 > 18 73 O 0.16886715794035 0.00000000000000 0.75000000000000 15.999 > 19 74 O 0.66886715794035 0.00000000000000 0.75000000000000 15.999 > 19 75 O 0.16886715794035 0.50000000000000 0.75000000000000 15.999 > 19 76 O 0.66886715794035 0.50000000000000 0.75000000000000 15.999 > 19 77 O 0.19949613161066 0.02024619101757 0.42030540970851 15.999 > 20 78 O 0.69949613161066 0.02024619101757 0.42030540970851 15.999 > 20 79 O 0.19949613161066 0.52024619101756 0.42030540970851 15.999 > 20 80 O 0.69949613161066 0.52024619101756 0.42030540970851 15.999 > 20 81 O 0.30050386838934 0.32075005940690 0.07969459029149 15.999 > 21 82 O 0.80050386838934 0.32075005940690 0.07969459029149 15.999 > 21 83 O 0.30050386838934 0.82075005940690 0.07969459029149 15.999 > 21 84 O 0.80050386838934 0.82075005940690 0.07969459029149 15.999 > 21 85 O 0.16886715794035 0.16886715794035 0.25000000000000 15.999 > 22 86 O 0.66886715794035 0.16886715794035 0.25000000000000 15.999 > 22 87 O 0.16886715794035 0.66886715794035 0.25000000000000 15.999 > 22 88 O 0.66886715794035 0.66886715794035 0.25000000000000 15.999 > 22 89 O 0.19949613161066 0.17924994059310 0.92030540970851 15.999 > 23 90 O 0.69949613161066 0.17924994059310 0.92030540970851 15.999 > 23 91 O 0.19949613161066 0.67924994059310 0.92030540970851 15.999 > 23 92 O 0.69949613161066 0.67924994059310 0.92030540970851 15.999 > 23 93 O 0.30050386838934 0.47975380898244 0.57969459029149 15.999 > 24 94 O 0.80050386838934 0.47975380898244 0.57969459029149 15.999 > 24 95 O 0.30050386838934 0.97975380898244 0.57969459029149 15.999 > 24 96 O 0.80050386838934 0.97975380898244 0.57969459029149 15.999 > 24 97 O 0.33113284205965 0.00000000000000 0.25000000000000 15.999 > 25 98 O 0.83113284205965 0.00000000000000 0.25000000000000 15.999 > 25 99 O 0.33113284205965 0.50000000000000 0.25000000000000 15.999 > 25 100 O 0.83113284205965 0.50000000000000 0.25000000000000 15.999 > 25 101 O 0.32075005940690 0.02024619101757 0.92030540970851 15.999 > 26 102 O 0.82075005940690 0.02024619101757 0.92030540970851 15.999 > 26 103 O 0.32075005940690 0.52024619101756 0.92030540970851 15.999 > 26 104 O 0.82075005940690 0.52024619101756 0.92030540970851 15.999 > 26 105 O 0.47975380898244 0.17924994059310 0.42030540970851 15.999 > 27 106 O 0.97975380898244 0.17924994059310 0.42030540970851 15.999 > 27 107 O 0.47975380898244 0.67924994059310 0.42030540970851 15.999 > 27 108 O 0.97975380898244 0.67924994059310 0.42030540970851 15.999 > 27 109 O 0.32075005940690 0.30050386838934 0.42030540970851 15.999 > 28 110 O 0.82075005940690 0.30050386838934 0.42030540970851 15.999 > 28 111 O 0.32075005940690 0.80050386838934 0.42030540970851 15.999 > 28 112 O 0.82075005940690 0.80050386838934 0.42030540970851 15.999 > 28 113 O 0.33113284205965 0.33113284205965 0.75000000000000 15.999 > 29 114 O 0.83113284205965 0.33113284205965 0.75000000000000 15.999 > 29 115 O 0.33113284205965 0.83113284205965 0.75000000000000 15.999 > 29 116 O 0.83113284205965 0.83113284205965 0.75000000000000 15.999 > 29 117 O 0.47975380898244 0.30050386838934 0.92030540970851 15.999 > 30 118 O 0.97975380898244 0.30050386838934 0.92030540970851 15.999 > 30 119 O 0.47975380898244 0.80050386838934 0.92030540970851 15.999 > 30 120 O 0.97975380898244 0.80050386838934 0.92030540970851 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3582849 -0.0000000 0.0000000 0.0000000 4.3582849 0.0000000 0.0000000 0.0000000 4.5016531 -------------------------- Born effective charges -------------------------- 1 Na 1.1209154 -0.0147771 -0.0000000 0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 2 Na 1.1209154 0.0147771 -0.0000000 -0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 3 Na 1.1209154 0.0147771 -0.0000000 -0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 4 Na 1.1209154 -0.0147771 -0.0000000 0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 5 Sn 3.8773816 -0.2209468 -0.0000000 0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 6 Sn 4.0261261 0.1137502 -0.0000000 -0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 7 Sn 3.8773816 0.2209468 -0.0000000 -0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 8 Sn 4.0261261 -0.1137502 -0.0000000 0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 9 Sn 3.8773816 0.2209468 -0.0000000 -0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 10 Sn 3.8773816 -0.2209468 -0.0000000 0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 11 Sn 4.0261261 -0.1137502 -0.0000000 0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 12 Sn 4.0261261 0.1137502 -0.0000000 -0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 13 O -2.2594406 -0.4192589 0.5492614 -0.4192589 -1.7753221 0.3171162 0.6542610 0.3777378 -1.9414511 14 O -2.2437432 -0.5787708 -0.2714000 -0.5338312 -1.7551576 -0.1258338 -0.4139970 -0.1050774 -2.1128809 15 O -2.2437432 0.5787708 0.2714000 0.5338312 -1.7551576 -0.1258338 0.4139970 -0.1050774 -2.1128809 16 O -2.2594406 -0.4192589 0.5492614 -0.4192589 -1.7753221 0.3171162 0.6542610 0.3777378 -1.9414511 17 O -2.3590747 -0.4672445 -0.2446752 -0.5121841 -1.6398260 -0.1721224 -0.2979982 -0.3059933 -2.1128809 18 O -1.3955332 0.0441169 0.0267248 0.0890565 -2.6033675 0.2979562 0.1159988 0.4110706 -2.1128809 19 O -1.5332629 -0.0000000 -0.0000000 0.0000000 -2.5014998 -0.6342325 -0.0000000 -0.7554755 -1.9414511 20 O -1.3955332 -0.0441169 -0.0267248 -0.0890565 -2.6033675 0.2979562 -0.1159988 0.4110706 -2.1128809 21 O -2.3590747 0.4672445 0.2446752 0.5121841 -1.6398260 -0.1721224 0.2979982 -0.3059933 -2.1128809 22 O -2.2594406 0.4192589 -0.5492614 0.4192589 -1.7753221 0.3171162 -0.6542610 0.3777378 -1.9414511 23 O -2.3590747 0.4672445 0.2446752 0.5121841 -1.6398260 -0.1721224 0.2979982 -0.3059933 -2.1128809 24 O -1.3955332 -0.0441169 -0.0267248 -0.0890565 -2.6033675 0.2979562 -0.1159988 0.4110706 -2.1128809 25 O -1.5332629 -0.0000000 -0.0000000 0.0000000 -2.5014998 -0.6342325 -0.0000000 -0.7554755 -1.9414511 26 O -1.3955332 0.0441169 0.0267248 0.0890565 -2.6033675 0.2979562 0.1159988 0.4110706 -2.1128809 27 O -2.3590747 -0.4672445 -0.2446752 -0.5121841 -1.6398260 -0.1721224 -0.2979982 -0.3059933 -2.1128809 28 O -2.2437432 0.5787708 0.2714000 0.5338312 -1.7551576 -0.1258338 0.4139970 -0.1050774 -2.1128809 29 O -2.2594406 0.4192589 -0.5492614 0.4192589 -1.7753221 0.3171162 -0.6542610 0.3777378 -1.9414511 30 O -2.2437432 -0.5787708 -0.2714000 -0.5338312 -1.7551576 -0.1258338 -0.4139970 -0.1050774 -2.1128809 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1426 Number of blocks in projector: 706 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 154 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 6), data: (660, 18) @ (18, 6) |-- (160, 154), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 320 - Time: 2.033 Solver_block: 200 / 320 - Time: 2.001 Solver_block: 300 / 320 - Time: 2.004 Solver_block: 320 / 320 - Time: 0.485 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.561 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1426 Number of blocks in projector: 706 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 154 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 244 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 10), data: (576, 16) @ (16, 10) |-- (76, 72), data: True |-- (250, 244), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 6), data: (660, 18) @ (18, 6) |-- (160, 154), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), 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 2026-01-09 00:31:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:31:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447024728220827 0.000000000000000 0.000000000000000 b -2.723512364110413 4.717261789681263 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546319130000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.35229811101067 22.990 2 Na 0.00000000000000 0.00000000000000 0.14770188898933 22.990 3 Na 0.00000000000000 0.00000000000000 0.85229811101067 22.990 4 Na 0.00000000000000 0.00000000000000 0.64770188898933 22.990 5 Sn 0.33333333333333 0.66666666666667 0.18791870466046 118.710 6 Sn 0.33333333333333 0.66666666666667 0.47539370659320 118.710 7 Sn 0.33333333333333 0.66666666666667 0.68791870466046 118.710 8 Sn 0.33333333333333 0.66666666666667 0.97539370659320 118.710 9 Sn 0.66666666666667 0.33333333333333 0.31208129533954 118.710 10 Sn 0.66666666666667 0.33333333333333 0.81208129533954 118.710 11 Sn 0.66666666666667 0.33333333333333 0.02460629340680 118.710 12 Sn 0.66666666666667 0.33333333333333 0.52460629340680 118.710 13 O 0.00000000000000 0.33773431588071 0.75000000000000 15.999 14 O 0.04049238203513 0.39899226322133 0.07969459029149 15.999 15 O 0.35849988118620 0.39899226322133 0.57969459029149 15.999 16 O 0.00000000000000 0.66226568411930 0.25000000000000 15.999 17 O 0.04049238203513 0.64150011881380 0.57969459029149 15.999 18 O 0.35849988118620 0.95950761796487 0.07969459029149 15.999 19 O 0.33773431588071 0.00000000000000 0.75000000000000 15.999 20 O 0.39899226322133 0.04049238203513 0.42030540970851 15.999 21 O 0.60100773677867 0.64150011881380 0.07969459029149 15.999 22 O 0.33773431588071 0.33773431588071 0.25000000000000 15.999 23 O 0.39899226322133 0.35849988118620 0.92030540970851 15.999 24 O 0.60100773677867 0.95950761796487 0.57969459029149 15.999 25 O 0.66226568411930 0.00000000000000 0.25000000000000 15.999 26 O 0.64150011881380 0.04049238203513 0.92030540970851 15.999 27 O 0.95950761796487 0.35849988118620 0.42030540970851 15.999 28 O 0.64150011881380 0.60100773677867 0.42030540970851 15.999 29 O 0.66226568411930 0.66226568411930 0.75000000000000 15.999 30 O 0.95950761796487 0.60100773677867 0.92030540970851 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.894049456441653 0.000000000000000 0.000000000000000 b -5.447024728220826 9.434523579362526 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546319130000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.35229811101067 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.35229811101067 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.35229811101067 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.35229811101067 22.990 > 1 5 Na 0.00000000000000 0.00000000000000 0.14770188898933 22.990 > 5 6 Na 0.50000000000000 0.00000000000000 0.14770188898933 22.990 > 5 7 Na 0.00000000000000 0.50000000000000 0.14770188898933 22.990 > 5 8 Na 0.50000000000000 0.50000000000000 0.14770188898933 22.990 > 5 9 Na 0.00000000000000 0.00000000000000 0.85229811101067 22.990 > 9 10 Na 0.50000000000000 0.00000000000000 0.85229811101067 22.990 > 9 11 Na 0.00000000000000 0.50000000000000 0.85229811101067 22.990 > 9 12 Na 0.50000000000000 0.50000000000000 0.85229811101067 22.990 > 9 13 Na 0.00000000000000 0.00000000000000 0.64770188898933 22.990 > 13 14 Na 0.50000000000000 0.00000000000000 0.64770188898933 22.990 > 13 15 Na 0.00000000000000 0.50000000000000 0.64770188898933 22.990 > 13 16 Na 0.50000000000000 0.50000000000000 0.64770188898933 22.990 > 13 17 Sn 0.16666666666667 0.33333333333333 0.18791870466046 118.710 > 17 18 Sn 0.66666666666667 0.33333333333333 0.18791870466046 118.710 > 17 19 Sn 0.16666666666667 0.83333333333333 0.18791870466046 118.710 > 17 20 Sn 0.66666666666667 0.83333333333333 0.18791870466046 118.710 > 17 21 Sn 0.16666666666667 0.33333333333333 0.47539370659320 118.710 > 21 22 Sn 0.66666666666667 0.33333333333333 0.47539370659320 118.710 > 21 23 Sn 0.16666666666667 0.83333333333333 0.47539370659320 118.710 > 21 24 Sn 0.66666666666667 0.83333333333333 0.47539370659320 118.710 > 21 25 Sn 0.16666666666667 0.33333333333333 0.68791870466046 118.710 > 25 26 Sn 0.66666666666667 0.33333333333333 0.68791870466046 118.710 > 25 27 Sn 0.16666666666667 0.83333333333333 0.68791870466046 118.710 > 25 28 Sn 0.66666666666667 0.83333333333333 0.68791870466046 118.710 > 25 29 Sn 0.16666666666667 0.33333333333333 0.97539370659320 118.710 > 29 30 Sn 0.66666666666667 0.33333333333333 0.97539370659320 118.710 > 29 31 Sn 0.16666666666667 0.83333333333333 0.97539370659320 118.710 > 29 32 Sn 0.66666666666667 0.83333333333333 0.97539370659320 118.710 > 29 33 Sn 0.33333333333333 0.16666666666667 0.31208129533954 118.710 > 33 34 Sn 0.83333333333333 0.16666666666667 0.31208129533954 118.710 > 33 35 Sn 0.33333333333333 0.66666666666667 0.31208129533954 118.710 > 33 36 Sn 0.83333333333333 0.66666666666667 0.31208129533954 118.710 > 33 37 Sn 0.33333333333333 0.16666666666667 0.81208129533954 118.710 > 37 38 Sn 0.83333333333333 0.16666666666667 0.81208129533954 118.710 > 37 39 Sn 0.33333333333333 0.66666666666667 0.81208129533954 118.710 > 37 40 Sn 0.83333333333333 0.66666666666667 0.81208129533954 118.710 > 37 41 Sn 0.33333333333333 0.16666666666667 0.02460629340680 118.710 > 41 42 Sn 0.83333333333333 0.16666666666667 0.02460629340680 118.710 > 41 43 Sn 0.33333333333333 0.66666666666667 0.02460629340680 118.710 > 41 44 Sn 0.83333333333333 0.66666666666667 0.02460629340680 118.710 > 41 45 Sn 0.33333333333333 0.16666666666667 0.52460629340680 118.710 > 45 46 Sn 0.83333333333333 0.16666666666667 0.52460629340680 118.710 > 45 47 Sn 0.33333333333333 0.66666666666667 0.52460629340680 118.710 > 45 48 Sn 0.83333333333333 0.66666666666667 0.52460629340680 118.710 > 45 49 O 0.00000000000000 0.16886715794035 0.75000000000000 15.999 > 49 50 O 0.50000000000000 0.16886715794035 0.75000000000000 15.999 > 49 51 O 0.00000000000000 0.66886715794035 0.75000000000000 15.999 > 49 52 O 0.50000000000000 0.66886715794035 0.75000000000000 15.999 > 49 53 O 0.02024619101757 0.19949613161066 0.07969459029149 15.999 > 53 54 O 0.52024619101756 0.19949613161066 0.07969459029149 15.999 > 53 55 O 0.02024619101757 0.69949613161066 0.07969459029149 15.999 > 53 56 O 0.52024619101756 0.69949613161066 0.07969459029149 15.999 > 53 57 O 0.17924994059310 0.19949613161066 0.57969459029149 15.999 > 57 58 O 0.67924994059310 0.19949613161066 0.57969459029149 15.999 > 57 59 O 0.17924994059310 0.69949613161066 0.57969459029149 15.999 > 57 60 O 0.67924994059310 0.69949613161066 0.57969459029149 15.999 > 57 61 O 0.00000000000000 0.33113284205965 0.25000000000000 15.999 > 61 62 O 0.50000000000000 0.33113284205965 0.25000000000000 15.999 > 61 63 O 0.00000000000000 0.83113284205965 0.25000000000000 15.999 > 61 64 O 0.50000000000000 0.83113284205965 0.25000000000000 15.999 > 61 65 O 0.02024619101757 0.32075005940690 0.57969459029149 15.999 > 65 66 O 0.52024619101756 0.32075005940690 0.57969459029149 15.999 > 65 67 O 0.02024619101757 0.82075005940690 0.57969459029149 15.999 > 65 68 O 0.52024619101756 0.82075005940690 0.57969459029149 15.999 > 65 69 O 0.17924994059310 0.47975380898244 0.07969459029149 15.999 > 69 70 O 0.67924994059310 0.47975380898244 0.07969459029149 15.999 > 69 71 O 0.17924994059310 0.97975380898244 0.07969459029149 15.999 > 69 72 O 0.67924994059310 0.97975380898244 0.07969459029149 15.999 > 69 73 O 0.16886715794035 0.00000000000000 0.75000000000000 15.999 > 73 74 O 0.66886715794035 0.00000000000000 0.75000000000000 15.999 > 73 75 O 0.16886715794035 0.50000000000000 0.75000000000000 15.999 > 73 76 O 0.66886715794035 0.50000000000000 0.75000000000000 15.999 > 73 77 O 0.19949613161066 0.02024619101757 0.42030540970851 15.999 > 77 78 O 0.69949613161066 0.02024619101757 0.42030540970851 15.999 > 77 79 O 0.19949613161066 0.52024619101756 0.42030540970851 15.999 > 77 80 O 0.69949613161066 0.52024619101756 0.42030540970851 15.999 > 77 81 O 0.30050386838934 0.32075005940690 0.07969459029149 15.999 > 81 82 O 0.80050386838934 0.32075005940690 0.07969459029149 15.999 > 81 83 O 0.30050386838934 0.82075005940690 0.07969459029149 15.999 > 81 84 O 0.80050386838934 0.82075005940690 0.07969459029149 15.999 > 81 85 O 0.16886715794035 0.16886715794035 0.25000000000000 15.999 > 85 86 O 0.66886715794035 0.16886715794035 0.25000000000000 15.999 > 85 87 O 0.16886715794035 0.66886715794035 0.25000000000000 15.999 > 85 88 O 0.66886715794035 0.66886715794035 0.25000000000000 15.999 > 85 89 O 0.19949613161066 0.17924994059310 0.92030540970851 15.999 > 89 90 O 0.69949613161066 0.17924994059310 0.92030540970851 15.999 > 89 91 O 0.19949613161066 0.67924994059310 0.92030540970851 15.999 > 89 92 O 0.69949613161066 0.67924994059310 0.92030540970851 15.999 > 89 93 O 0.30050386838934 0.47975380898244 0.57969459029149 15.999 > 93 94 O 0.80050386838934 0.47975380898244 0.57969459029149 15.999 > 93 95 O 0.30050386838934 0.97975380898244 0.57969459029149 15.999 > 93 96 O 0.80050386838934 0.97975380898244 0.57969459029149 15.999 > 93 97 O 0.33113284205965 0.00000000000000 0.25000000000000 15.999 > 97 98 O 0.83113284205965 0.00000000000000 0.25000000000000 15.999 > 97 99 O 0.33113284205965 0.50000000000000 0.25000000000000 15.999 > 97 100 O 0.83113284205965 0.50000000000000 0.25000000000000 15.999 > 97 101 O 0.32075005940690 0.02024619101757 0.92030540970851 15.999 > 101 102 O 0.82075005940690 0.02024619101757 0.92030540970851 15.999 > 101 103 O 0.32075005940690 0.52024619101756 0.92030540970851 15.999 > 101 104 O 0.82075005940690 0.52024619101756 0.92030540970851 15.999 > 101 105 O 0.47975380898244 0.17924994059310 0.42030540970851 15.999 > 105 106 O 0.97975380898244 0.17924994059310 0.42030540970851 15.999 > 105 107 O 0.47975380898244 0.67924994059310 0.42030540970851 15.999 > 105 108 O 0.97975380898244 0.67924994059310 0.42030540970851 15.999 > 105 109 O 0.32075005940690 0.30050386838934 0.42030540970851 15.999 > 109 110 O 0.82075005940690 0.30050386838934 0.42030540970851 15.999 > 109 111 O 0.32075005940690 0.80050386838934 0.42030540970851 15.999 > 109 112 O 0.82075005940690 0.80050386838934 0.42030540970851 15.999 > 109 113 O 0.33113284205965 0.33113284205965 0.75000000000000 15.999 > 113 114 O 0.83113284205965 0.33113284205965 0.75000000000000 15.999 > 113 115 O 0.33113284205965 0.83113284205965 0.75000000000000 15.999 > 113 116 O 0.83113284205965 0.83113284205965 0.75000000000000 15.999 > 113 117 O 0.47975380898244 0.30050386838934 0.92030540970851 15.999 > 117 118 O 0.97975380898244 0.30050386838934 0.92030540970851 15.999 > 117 119 O 0.47975380898244 0.80050386838934 0.92030540970851 15.999 > 117 120 O 0.97975380898244 0.80050386838934 0.92030540970851 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3582849 -0.0000000 0.0000000 0.0000000 4.3582849 0.0000000 0.0000000 0.0000000 4.5016531 -------------------------- Born effective charges -------------------------- 1 Na 1.1209154 -0.0147771 -0.0000000 0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 2 Na 1.1209154 0.0147771 -0.0000000 -0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 3 Na 1.1209154 0.0147771 -0.0000000 -0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 4 Na 1.1209154 -0.0147771 -0.0000000 0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 5 Sn 3.8773816 -0.2209468 -0.0000000 0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 6 Sn 4.0261261 0.1137502 -0.0000000 -0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 7 Sn 3.8773816 0.2209468 -0.0000000 -0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 8 Sn 4.0261261 -0.1137502 -0.0000000 0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 9 Sn 3.8773816 0.2209468 -0.0000000 -0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 10 Sn 3.8773816 -0.2209468 -0.0000000 0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 11 Sn 4.0261261 -0.1137502 -0.0000000 0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 12 Sn 4.0261261 0.1137502 -0.0000000 -0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 13 O -2.2594406 -0.4192589 0.5492614 -0.4192589 -1.7753221 0.3171162 0.6542610 0.3777378 -1.9414511 14 O -2.2437432 -0.5787708 -0.2714000 -0.5338312 -1.7551576 -0.1258338 -0.4139970 -0.1050774 -2.1128809 15 O -2.2437432 0.5787708 0.2714000 0.5338312 -1.7551576 -0.1258338 0.4139970 -0.1050774 -2.1128809 16 O -2.2594406 -0.4192589 0.5492614 -0.4192589 -1.7753221 0.3171162 0.6542610 0.3777378 -1.9414511 17 O -2.3590747 -0.4672445 -0.2446752 -0.5121841 -1.6398260 -0.1721224 -0.2979982 -0.3059933 -2.1128809 18 O -1.3955332 0.0441169 0.0267248 0.0890565 -2.6033675 0.2979562 0.1159988 0.4110706 -2.1128809 19 O -1.5332629 -0.0000000 -0.0000000 0.0000000 -2.5014998 -0.6342325 -0.0000000 -0.7554755 -1.9414511 20 O -1.3955332 -0.0441169 -0.0267248 -0.0890565 -2.6033675 0.2979562 -0.1159988 0.4110706 -2.1128809 21 O -2.3590747 0.4672445 0.2446752 0.5121841 -1.6398260 -0.1721224 0.2979982 -0.3059933 -2.1128809 22 O -2.2594406 0.4192589 -0.5492614 0.4192589 -1.7753221 0.3171162 -0.6542610 0.3777378 -1.9414511 23 O -2.3590747 0.4672445 0.2446752 0.5121841 -1.6398260 -0.1721224 0.2979982 -0.3059933 -2.1128809 24 O -1.3955332 -0.0441169 -0.0267248 -0.0890565 -2.6033675 0.2979562 -0.1159988 0.4110706 -2.1128809 25 O -1.5332629 -0.0000000 -0.0000000 0.0000000 -2.5014998 -0.6342325 -0.0000000 -0.7554755 -1.9414511 26 O -1.3955332 0.0441169 0.0267248 0.0890565 -2.6033675 0.2979562 0.1159988 0.4110706 -2.1128809 27 O -2.3590747 -0.4672445 -0.2446752 -0.5121841 -1.6398260 -0.1721224 -0.2979982 -0.3059933 -2.1128809 28 O -2.2437432 0.5787708 0.2714000 0.5338312 -1.7551576 -0.1258338 0.4139970 -0.1050774 -2.1128809 29 O -2.2594406 0.4192589 -0.5492614 0.4192589 -1.7753221 0.3171162 -0.6542610 0.3777378 -1.9414511 30 O -2.2437432 -0.5787708 -0.2714000 -0.5338312 -1.7551576 -0.1258338 -0.4139970 -0.1050774 -2.1128809 ---------------------------------------------------------------------------- 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 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 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 (yxz) 0.00000002 (yxz) 0.00000002 (yzx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000005 (xy) -0.00000005 (xy) 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 2026-01-09 00:31:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:31:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.447024728220827 0.000000000000000 0.000000000000000 b -2.723512364110413 4.717261789681263 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546319130000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.35229811101067 22.990 2 Na 0.00000000000000 0.00000000000000 0.14770188898933 22.990 3 Na 0.00000000000000 0.00000000000000 0.85229811101067 22.990 4 Na 0.00000000000000 0.00000000000000 0.64770188898933 22.990 5 Sn 0.33333333333333 0.66666666666667 0.18791870466046 118.710 6 Sn 0.33333333333333 0.66666666666667 0.47539370659320 118.710 7 Sn 0.33333333333333 0.66666666666667 0.68791870466046 118.710 8 Sn 0.33333333333333 0.66666666666667 0.97539370659320 118.710 9 Sn 0.66666666666667 0.33333333333333 0.31208129533954 118.710 10 Sn 0.66666666666667 0.33333333333333 0.81208129533954 118.710 11 Sn 0.66666666666667 0.33333333333333 0.02460629340680 118.710 12 Sn 0.66666666666667 0.33333333333333 0.52460629340680 118.710 13 O 0.00000000000000 0.33773431588071 0.75000000000000 15.999 14 O 0.04049238203513 0.39899226322133 0.07969459029149 15.999 15 O 0.35849988118620 0.39899226322133 0.57969459029149 15.999 16 O 0.00000000000000 0.66226568411930 0.25000000000000 15.999 17 O 0.04049238203513 0.64150011881380 0.57969459029149 15.999 18 O 0.35849988118620 0.95950761796487 0.07969459029149 15.999 19 O 0.33773431588071 0.00000000000000 0.75000000000000 15.999 20 O 0.39899226322133 0.04049238203513 0.42030540970851 15.999 21 O 0.60100773677867 0.64150011881380 0.07969459029149 15.999 22 O 0.33773431588071 0.33773431588071 0.25000000000000 15.999 23 O 0.39899226322133 0.35849988118620 0.92030540970851 15.999 24 O 0.60100773677867 0.95950761796487 0.57969459029149 15.999 25 O 0.66226568411930 0.00000000000000 0.25000000000000 15.999 26 O 0.64150011881380 0.04049238203513 0.92030540970851 15.999 27 O 0.95950761796487 0.35849988118620 0.42030540970851 15.999 28 O 0.64150011881380 0.60100773677867 0.42030540970851 15.999 29 O 0.66226568411930 0.66226568411930 0.75000000000000 15.999 30 O 0.95950761796487 0.60100773677867 0.92030540970851 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.894049456441653 0.000000000000000 0.000000000000000 b -5.447024728220826 9.434523579362526 0.000000000000000 c 0.000000000000000 0.000000000000000 14.546319130000001 Atomic positions (fractional): 1 Na 0.00000000000000 0.00000000000000 0.35229811101067 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.35229811101067 22.990 > 1 3 Na 0.00000000000000 0.50000000000000 0.35229811101067 22.990 > 1 4 Na 0.50000000000000 0.50000000000000 0.35229811101067 22.990 > 1 5 Na 0.00000000000000 0.00000000000000 0.14770188898933 22.990 > 5 6 Na 0.50000000000000 0.00000000000000 0.14770188898933 22.990 > 5 7 Na 0.00000000000000 0.50000000000000 0.14770188898933 22.990 > 5 8 Na 0.50000000000000 0.50000000000000 0.14770188898933 22.990 > 5 9 Na 0.00000000000000 0.00000000000000 0.85229811101067 22.990 > 9 10 Na 0.50000000000000 0.00000000000000 0.85229811101067 22.990 > 9 11 Na 0.00000000000000 0.50000000000000 0.85229811101067 22.990 > 9 12 Na 0.50000000000000 0.50000000000000 0.85229811101067 22.990 > 9 13 Na 0.00000000000000 0.00000000000000 0.64770188898933 22.990 > 13 14 Na 0.50000000000000 0.00000000000000 0.64770188898933 22.990 > 13 15 Na 0.00000000000000 0.50000000000000 0.64770188898933 22.990 > 13 16 Na 0.50000000000000 0.50000000000000 0.64770188898933 22.990 > 13 17 Sn 0.16666666666667 0.33333333333333 0.18791870466046 118.710 > 17 18 Sn 0.66666666666667 0.33333333333333 0.18791870466046 118.710 > 17 19 Sn 0.16666666666667 0.83333333333333 0.18791870466046 118.710 > 17 20 Sn 0.66666666666667 0.83333333333333 0.18791870466046 118.710 > 17 21 Sn 0.16666666666667 0.33333333333333 0.47539370659320 118.710 > 21 22 Sn 0.66666666666667 0.33333333333333 0.47539370659320 118.710 > 21 23 Sn 0.16666666666667 0.83333333333333 0.47539370659320 118.710 > 21 24 Sn 0.66666666666667 0.83333333333333 0.47539370659320 118.710 > 21 25 Sn 0.16666666666667 0.33333333333333 0.68791870466046 118.710 > 25 26 Sn 0.66666666666667 0.33333333333333 0.68791870466046 118.710 > 25 27 Sn 0.16666666666667 0.83333333333333 0.68791870466046 118.710 > 25 28 Sn 0.66666666666667 0.83333333333333 0.68791870466046 118.710 > 25 29 Sn 0.16666666666667 0.33333333333333 0.97539370659320 118.710 > 29 30 Sn 0.66666666666667 0.33333333333333 0.97539370659320 118.710 > 29 31 Sn 0.16666666666667 0.83333333333333 0.97539370659320 118.710 > 29 32 Sn 0.66666666666667 0.83333333333333 0.97539370659320 118.710 > 29 33 Sn 0.33333333333333 0.16666666666667 0.31208129533954 118.710 > 33 34 Sn 0.83333333333333 0.16666666666667 0.31208129533954 118.710 > 33 35 Sn 0.33333333333333 0.66666666666667 0.31208129533954 118.710 > 33 36 Sn 0.83333333333333 0.66666666666667 0.31208129533954 118.710 > 33 37 Sn 0.33333333333333 0.16666666666667 0.81208129533954 118.710 > 37 38 Sn 0.83333333333333 0.16666666666667 0.81208129533954 118.710 > 37 39 Sn 0.33333333333333 0.66666666666667 0.81208129533954 118.710 > 37 40 Sn 0.83333333333333 0.66666666666667 0.81208129533954 118.710 > 37 41 Sn 0.33333333333333 0.16666666666667 0.02460629340680 118.710 > 41 42 Sn 0.83333333333333 0.16666666666667 0.02460629340680 118.710 > 41 43 Sn 0.33333333333333 0.66666666666667 0.02460629340680 118.710 > 41 44 Sn 0.83333333333333 0.66666666666667 0.02460629340680 118.710 > 41 45 Sn 0.33333333333333 0.16666666666667 0.52460629340680 118.710 > 45 46 Sn 0.83333333333333 0.16666666666667 0.52460629340680 118.710 > 45 47 Sn 0.33333333333333 0.66666666666667 0.52460629340680 118.710 > 45 48 Sn 0.83333333333333 0.66666666666667 0.52460629340680 118.710 > 45 49 O 0.00000000000000 0.16886715794035 0.75000000000000 15.999 > 49 50 O 0.50000000000000 0.16886715794035 0.75000000000000 15.999 > 49 51 O 0.00000000000000 0.66886715794035 0.75000000000000 15.999 > 49 52 O 0.50000000000000 0.66886715794035 0.75000000000000 15.999 > 49 53 O 0.02024619101757 0.19949613161066 0.07969459029149 15.999 > 53 54 O 0.52024619101756 0.19949613161066 0.07969459029149 15.999 > 53 55 O 0.02024619101757 0.69949613161066 0.07969459029149 15.999 > 53 56 O 0.52024619101756 0.69949613161066 0.07969459029149 15.999 > 53 57 O 0.17924994059310 0.19949613161066 0.57969459029149 15.999 > 57 58 O 0.67924994059310 0.19949613161066 0.57969459029149 15.999 > 57 59 O 0.17924994059310 0.69949613161066 0.57969459029149 15.999 > 57 60 O 0.67924994059310 0.69949613161066 0.57969459029149 15.999 > 57 61 O 0.00000000000000 0.33113284205965 0.25000000000000 15.999 > 61 62 O 0.50000000000000 0.33113284205965 0.25000000000000 15.999 > 61 63 O 0.00000000000000 0.83113284205965 0.25000000000000 15.999 > 61 64 O 0.50000000000000 0.83113284205965 0.25000000000000 15.999 > 61 65 O 0.02024619101757 0.32075005940690 0.57969459029149 15.999 > 65 66 O 0.52024619101756 0.32075005940690 0.57969459029149 15.999 > 65 67 O 0.02024619101757 0.82075005940690 0.57969459029149 15.999 > 65 68 O 0.52024619101756 0.82075005940690 0.57969459029149 15.999 > 65 69 O 0.17924994059310 0.47975380898244 0.07969459029149 15.999 > 69 70 O 0.67924994059310 0.47975380898244 0.07969459029149 15.999 > 69 71 O 0.17924994059310 0.97975380898244 0.07969459029149 15.999 > 69 72 O 0.67924994059310 0.97975380898244 0.07969459029149 15.999 > 69 73 O 0.16886715794035 0.00000000000000 0.75000000000000 15.999 > 73 74 O 0.66886715794035 0.00000000000000 0.75000000000000 15.999 > 73 75 O 0.16886715794035 0.50000000000000 0.75000000000000 15.999 > 73 76 O 0.66886715794035 0.50000000000000 0.75000000000000 15.999 > 73 77 O 0.19949613161066 0.02024619101757 0.42030540970851 15.999 > 77 78 O 0.69949613161066 0.02024619101757 0.42030540970851 15.999 > 77 79 O 0.19949613161066 0.52024619101756 0.42030540970851 15.999 > 77 80 O 0.69949613161066 0.52024619101756 0.42030540970851 15.999 > 77 81 O 0.30050386838934 0.32075005940690 0.07969459029149 15.999 > 81 82 O 0.80050386838934 0.32075005940690 0.07969459029149 15.999 > 81 83 O 0.30050386838934 0.82075005940690 0.07969459029149 15.999 > 81 84 O 0.80050386838934 0.82075005940690 0.07969459029149 15.999 > 81 85 O 0.16886715794035 0.16886715794035 0.25000000000000 15.999 > 85 86 O 0.66886715794035 0.16886715794035 0.25000000000000 15.999 > 85 87 O 0.16886715794035 0.66886715794035 0.25000000000000 15.999 > 85 88 O 0.66886715794035 0.66886715794035 0.25000000000000 15.999 > 85 89 O 0.19949613161066 0.17924994059310 0.92030540970851 15.999 > 89 90 O 0.69949613161066 0.17924994059310 0.92030540970851 15.999 > 89 91 O 0.19949613161066 0.67924994059310 0.92030540970851 15.999 > 89 92 O 0.69949613161066 0.67924994059310 0.92030540970851 15.999 > 89 93 O 0.30050386838934 0.47975380898244 0.57969459029149 15.999 > 93 94 O 0.80050386838934 0.47975380898244 0.57969459029149 15.999 > 93 95 O 0.30050386838934 0.97975380898244 0.57969459029149 15.999 > 93 96 O 0.80050386838934 0.97975380898244 0.57969459029149 15.999 > 93 97 O 0.33113284205965 0.00000000000000 0.25000000000000 15.999 > 97 98 O 0.83113284205965 0.00000000000000 0.25000000000000 15.999 > 97 99 O 0.33113284205965 0.50000000000000 0.25000000000000 15.999 > 97 100 O 0.83113284205965 0.50000000000000 0.25000000000000 15.999 > 97 101 O 0.32075005940690 0.02024619101757 0.92030540970851 15.999 > 101 102 O 0.82075005940690 0.02024619101757 0.92030540970851 15.999 > 101 103 O 0.32075005940690 0.52024619101756 0.92030540970851 15.999 > 101 104 O 0.82075005940690 0.52024619101756 0.92030540970851 15.999 > 101 105 O 0.47975380898244 0.17924994059310 0.42030540970851 15.999 > 105 106 O 0.97975380898244 0.17924994059310 0.42030540970851 15.999 > 105 107 O 0.47975380898244 0.67924994059310 0.42030540970851 15.999 > 105 108 O 0.97975380898244 0.67924994059310 0.42030540970851 15.999 > 105 109 O 0.32075005940690 0.30050386838934 0.42030540970851 15.999 > 109 110 O 0.82075005940690 0.30050386838934 0.42030540970851 15.999 > 109 111 O 0.32075005940690 0.80050386838934 0.42030540970851 15.999 > 109 112 O 0.82075005940690 0.80050386838934 0.42030540970851 15.999 > 109 113 O 0.33113284205965 0.33113284205965 0.75000000000000 15.999 > 113 114 O 0.83113284205965 0.33113284205965 0.75000000000000 15.999 > 113 115 O 0.33113284205965 0.83113284205965 0.75000000000000 15.999 > 113 116 O 0.83113284205965 0.83113284205965 0.75000000000000 15.999 > 113 117 O 0.47975380898244 0.30050386838934 0.92030540970851 15.999 > 117 118 O 0.97975380898244 0.30050386838934 0.92030540970851 15.999 > 117 119 O 0.47975380898244 0.80050386838934 0.92030540970851 15.999 > 117 120 O 0.97975380898244 0.80050386838934 0.92030540970851 15.999 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3582849 -0.0000000 0.0000000 0.0000000 4.3582849 0.0000000 0.0000000 0.0000000 4.5016531 -------------------------- Born effective charges -------------------------- 1 Na 1.1209154 -0.0147771 -0.0000000 0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 2 Na 1.1209154 0.0147771 -0.0000000 -0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 3 Na 1.1209154 0.0147771 -0.0000000 -0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 4 Na 1.1209154 -0.0147771 -0.0000000 0.0147771 1.1209154 0.0000000 -0.0000000 0.0000000 1.0303631 5 Sn 3.8773816 -0.2209468 -0.0000000 0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 6 Sn 4.0261261 0.1137502 -0.0000000 -0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 7 Sn 3.8773816 0.2209468 -0.0000000 -0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 8 Sn 4.0261261 -0.1137502 -0.0000000 0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 9 Sn 3.8773816 0.2209468 -0.0000000 -0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 10 Sn 3.8773816 -0.2209468 -0.0000000 0.2209468 3.8773816 0.0000000 -0.0000000 0.0000000 4.7164157 11 Sn 4.0261261 -0.1137502 -0.0000000 0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 12 Sn 4.0261261 0.1137502 -0.0000000 -0.1137502 4.0261261 0.0000000 -0.0000000 0.0000000 3.5040405 13 O -2.2594406 -0.4192589 0.5492614 -0.4192589 -1.7753221 0.3171162 0.6542610 0.3777378 -1.9414511 14 O -2.2437432 -0.5787708 -0.2714000 -0.5338312 -1.7551576 -0.1258338 -0.4139970 -0.1050774 -2.1128809 15 O -2.2437432 0.5787708 0.2714000 0.5338312 -1.7551576 -0.1258338 0.4139970 -0.1050774 -2.1128809 16 O -2.2594406 -0.4192589 0.5492614 -0.4192589 -1.7753221 0.3171162 0.6542610 0.3777378 -1.9414511 17 O -2.3590747 -0.4672445 -0.2446752 -0.5121841 -1.6398260 -0.1721224 -0.2979982 -0.3059933 -2.1128809 18 O -1.3955332 0.0441169 0.0267248 0.0890565 -2.6033675 0.2979562 0.1159988 0.4110706 -2.1128809 19 O -1.5332629 -0.0000000 -0.0000000 0.0000000 -2.5014998 -0.6342325 -0.0000000 -0.7554755 -1.9414511 20 O -1.3955332 -0.0441169 -0.0267248 -0.0890565 -2.6033675 0.2979562 -0.1159988 0.4110706 -2.1128809 21 O -2.3590747 0.4672445 0.2446752 0.5121841 -1.6398260 -0.1721224 0.2979982 -0.3059933 -2.1128809 22 O -2.2594406 0.4192589 -0.5492614 0.4192589 -1.7753221 0.3171162 -0.6542610 0.3777378 -1.9414511 23 O -2.3590747 0.4672445 0.2446752 0.5121841 -1.6398260 -0.1721224 0.2979982 -0.3059933 -2.1128809 24 O -1.3955332 -0.0441169 -0.0267248 -0.0890565 -2.6033675 0.2979562 -0.1159988 0.4110706 -2.1128809 25 O -1.5332629 -0.0000000 -0.0000000 0.0000000 -2.5014998 -0.6342325 -0.0000000 -0.7554755 -1.9414511 26 O -1.3955332 0.0441169 0.0267248 0.0890565 -2.6033675 0.2979562 0.1159988 0.4110706 -2.1128809 27 O -2.3590747 -0.4672445 -0.2446752 -0.5121841 -1.6398260 -0.1721224 -0.2979982 -0.3059933 -2.1128809 28 O -2.2437432 0.5787708 0.2714000 0.5338312 -1.7551576 -0.1258338 0.4139970 -0.1050774 -2.1128809 29 O -2.2594406 0.4192589 -0.5492614 0.4192589 -1.7753221 0.3171162 -0.6542610 0.3777378 -1.9414511 30 O -2.2437432 -0.5787708 -0.2714000 -0.5338312 -1.7551576 -0.1258338 -0.4139970 -0.1050774 -2.1128809 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yxz) 0.00000002 (yxz) 0.00000002 (yzx) 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 ... [ 11 11 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 287, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 3.408 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.739 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 4.999 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.452 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.639 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.246 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.133 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.606 ( 0.000 0.000 0.000) 0.000 9.722 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.116 ( 0.000 0.000 0.000) 0.000 10.171 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 11.699 ( 0.000 0.000 0.000) 0.000 11.699 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 0.000) 0.000 12.137 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.162 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.356 ( 0.000 0.000 0.000) 0.000 12.597 ( 0.000 0.000 0.000) 0.000 12.599 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.114 ( 0.000 0.000 0.000) 0.000 13.201 ( 0.000 0.000 0.000) 0.000 13.201 ( 0.000 0.000 0.000) 0.000 14.052 ( 0.000 0.000 0.000) 0.000 15.449 ( 0.000 0.000 0.000) 0.000 15.449 ( 0.000 0.000 0.000) 0.000 15.755 ( 0.000 0.000 0.000) 0.000 15.755 ( 0.000 0.000 0.000) 0.000 15.809 ( 0.000 0.000 0.000) 0.000 15.856 ( 0.000 0.000 0.000) 0.000 16.434 ( 0.000 0.000 0.000) 0.000 17.035 ( 0.000 0.000 0.000) 0.000 17.035 ( 0.000 0.000 0.000) 0.000 17.368 ( 0.000 0.000 0.000) 0.000 17.368 ( 0.000 0.000 0.000) 0.000 18.430 ( 0.000 0.000 0.000) 0.000 18.651 ( 0.000 0.000 0.000) 0.000 18.651 ( 0.000 0.000 0.000) 0.000 18.752 ( 0.000 0.000 0.000) 0.000 18.752 ( 0.000 0.000 0.000) 0.000 19.164 ( 0.000 0.000 0.000) 0.000 19.172 ( 0.000 0.000 0.000) 0.000 19.687 ( 0.000 0.000 0.000) 0.000 20.855 ( 0.000 0.000 0.000) 0.000 21.190 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 24.739 14.283 2.136) 28.646 0.608 ( 26.999 15.588 3.713) 31.397 1.196 ( 52.769 30.466 -2.875) 61.001 2.034 ( 3.248 1.875 -20.292) 20.636 2.088 ( 8.306 4.795 13.925) 16.908 2.263 ( 7.293 4.211 21.231) 22.840 2.325 ( 12.945 7.474 -15.087) 21.238 3.383 ( -5.170 -2.985 -4.133) 7.261 3.413 ( -4.986 -2.879 3.126) 6.551 3.438 ( 2.793 1.613 3.886) 5.050 3.544 ( 0.565 0.326 -3.498) 3.558 4.028 ( 1.638 0.946 0.967) 2.125 4.690 ( -4.111 -2.373 0.025) 4.747 4.941 ( -5.207 -3.006 -3.912) 7.173 4.984 ( -1.359 -0.785 4.038) 4.333 5.049 ( -1.909 -1.102 -0.064) 2.205 5.469 ( 0.088 0.051 -2.811) 2.813 5.487 ( -2.560 -1.478 4.481) 5.368 5.556 ( -8.289 -4.786 -4.448) 10.555 5.586 ( -2.803 -1.618 1.840) 3.723 5.848 ( 0.773 0.446 -1.103) 1.419 6.015 ( 0.900 0.519 0.377) 1.105 6.034 ( 2.419 1.397 1.452) 3.148 6.294 ( 3.793 2.190 1.240) 4.552 6.306 ( -0.929 -0.536 -3.693) 3.845 6.508 ( -9.721 -5.612 3.535) 11.768 6.819 ( -1.076 -0.621 -4.281) 4.458 6.925 ( 3.275 1.891 0.447) 3.807 7.045 ( -13.257 -7.654 -4.239) 15.884 7.067 ( -13.388 -7.730 4.586) 16.125 7.349 ( 1.774 1.024 2.541) 3.264 7.485 ( -7.076 -4.086 2.330) 8.497 7.584 ( -7.970 -4.602 1.679) 9.355 7.623 ( -1.599 -0.923 -3.511) 3.967 7.696 ( -4.327 -2.498 0.672) 5.041 7.810 ( 3.083 1.780 1.030) 3.706 7.832 ( -2.675 -1.544 1.925) 3.639 7.945 ( 7.342 4.239 -4.346) 9.527 8.047 ( 6.200 3.580 0.449) 7.173 8.080 ( 5.163 2.981 -1.208) 6.083 8.208 ( 5.211 3.009 1.090) 6.115 9.297 ( -6.188 -3.573 -0.313) 7.152 9.359 ( -24.697 -14.259 -2.599) 28.636 9.398 ( -1.709 -0.987 2.027) 2.829 9.534 ( -3.427 -1.979 0.076) 3.958 9.614 ( -1.478 -0.853 -0.300) 1.733 9.834 ( 2.025 1.169 -0.643) 2.425 9.906 ( -2.495 -1.441 2.823) 4.034 10.052 ( 11.845 6.838 2.175) 13.849 10.075 ( 6.176 3.566 -3.816) 8.088 10.209 ( 5.167 2.983 0.174) 5.969 10.259 ( 0.388 0.224 -0.158) 0.475 10.625 ( 16.587 9.577 1.030) 19.181 10.866 ( 3.459 1.997 -1.522) 4.274 11.725 ( 1.769 1.021 -0.577) 2.123 11.934 ( 3.459 1.997 0.474) 4.022 12.173 ( 1.533 0.885 -4.698) 5.020 12.175 ( 2.317 1.338 3.444) 4.361 12.277 ( 4.832 2.790 7.007) 8.957 12.287 ( 10.952 6.323 -7.067) 14.487 12.390 ( 3.160 1.824 2.037) 4.179 12.456 ( 6.878 3.971 -1.823) 8.149 12.545 ( -1.219 -0.704 -0.319) 1.443 12.582 ( -1.274 -0.735 0.019) 1.471 13.144 ( 2.893 1.670 -2.783) 4.348 13.207 ( 4.194 2.421 3.425) 5.931 13.212 ( 4.000 2.309 2.133) 5.087 14.020 ( -2.818 -1.627 -2.196) 3.926 14.428 ( 1.126 0.650 0.490) 1.390 15.303 ( -9.356 -5.402 1.234) 10.874 15.382 ( -6.704 -3.871 -1.514) 7.888 15.683 ( -4.502 -2.599 3.416) 6.221 15.868 ( 0.528 0.305 0.072) 0.614 16.079 ( 16.841 9.723 -0.048) 19.446 16.120 ( -21.115 -12.191 -1.731) 24.443 17.058 ( 2.136 1.233 5.741) 6.248 17.128 ( 3.785 2.185 2.329) 4.953 17.151 ( 5.841 3.372 -2.692) 7.262 17.366 ( -0.044 -0.025 -3.923) 3.923 17.404 ( 2.994 1.728 -2.220) 4.108 18.422 ( -0.808 -0.466 -0.489) 1.053 18.619 ( -2.819 -1.628 0.909) 3.380 18.698 ( -3.780 -2.182 0.793) 4.436 18.739 ( -1.089 -0.628 -0.681) 1.429 19.097 ( -5.721 -3.303 0.033) 6.606 19.118 ( -4.685 -2.705 -0.027) 5.410 19.818 ( 10.088 5.825 0.104) 11.650 20.378 ( 2.056 1.187 -1.116) 2.624 20.850 ( -0.472 -0.272 0.777) 0.949 21.134 ( -4.595 -2.653 -0.049) 5.307 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 24.846 14.345 1.886) 28.752 1.195 ( 25.640 14.803 3.424) 29.804 2.157 ( 7.743 4.471 -20.956) 22.784 2.321 ( 46.855 27.052 -1.868) 54.136 2.337 ( 12.443 7.184 6.930) 15.952 2.466 ( 11.182 6.456 22.484) 25.928 2.647 ( 14.424 8.328 -10.249) 19.556 3.288 ( -2.325 -1.342 -3.119) 4.115 3.310 ( -3.380 -1.951 2.314) 4.537 3.511 ( -2.005 -1.158 3.121) 3.886 3.541 ( 5.143 2.969 -4.383) 7.381 4.038 ( -1.235 -0.713 4.183) 4.419 4.576 ( -5.684 -3.282 0.365) 6.574 4.772 ( -9.769 -5.640 -6.478) 13.008 4.921 ( -5.376 -3.104 3.423) 7.089 4.992 ( -2.639 -1.524 3.402) 4.567 5.328 ( -11.793 -6.809 -5.946) 14.859 5.332 ( -7.877 -4.548 -0.764) 9.128 5.488 ( -0.993 -0.573 5.071) 5.199 5.608 ( 4.686 2.705 -1.244) 5.552 5.816 ( -4.168 -2.407 -0.939) 4.904 6.005 ( -2.812 -1.623 0.906) 3.371 6.079 ( 0.827 0.478 -0.681) 1.173 6.183 ( -9.542 -5.509 0.592) 11.034 6.383 ( -3.381 -1.952 -3.070) 4.966 6.394 ( 4.921 2.841 0.027) 5.683 6.666 ( -15.432 -8.909 4.034) 18.270 6.725 ( -8.309 -4.797 -1.689) 9.742 6.824 ( -3.648 -2.106 -3.586) 5.532 6.999 ( 0.628 0.362 -0.211) 0.755 7.300 ( -5.205 -3.005 5.229) 7.966 7.398 ( -7.952 -4.591 1.458) 9.298 7.464 ( 4.267 2.464 8.793) 10.079 7.553 ( -7.470 -4.313 -4.677) 9.812 7.632 ( 1.546 0.892 -7.889) 8.088 7.721 ( -7.120 -4.111 4.518) 9.381 7.880 ( 3.466 2.001 3.025) 5.016 8.096 ( 4.280 2.471 -6.043) 7.807 8.134 ( 0.913 0.527 -0.292) 1.094 8.145 ( 1.589 0.917 -1.147) 2.163 8.335 ( 5.002 2.888 3.413) 6.709 8.849 ( -19.678 -11.361 -4.349) 23.135 9.238 ( 1.450 0.837 0.043) 1.675 9.340 ( -2.573 -1.486 2.778) 4.068 9.510 ( 0.642 0.371 -0.248) 0.782 9.621 ( 1.140 0.658 -0.636) 1.462 9.841 ( -2.872 -1.658 2.198) 3.978 9.847 ( -0.214 -0.124 -1.539) 1.559 10.121 ( -0.173 -0.100 -1.206) 1.222 10.182 ( -1.511 -0.872 0.775) 1.908 10.423 ( 14.307 8.260 1.616) 16.600 10.432 ( 12.150 7.015 -1.817) 14.146 10.898 ( 8.915 5.147 2.339) 10.556 10.961 ( 4.600 2.656 -2.135) 5.725 11.763 ( 1.750 1.010 -1.004) 2.256 12.028 ( 4.238 2.447 0.038) 4.894 12.231 ( 1.786 1.031 -0.930) 2.263 12.239 ( 4.309 2.488 -0.440) 4.995 12.361 ( -3.265 -1.885 -0.443) 3.796 12.378 ( 3.811 2.200 6.089) 7.513 12.480 ( 3.023 1.745 -1.428) 3.771 12.581 ( 3.318 1.916 2.628) 4.646 12.665 ( 15.752 9.095 -3.837) 18.590 12.763 ( 14.062 8.118 -6.142) 17.360 13.241 ( 2.283 1.318 5.988) 6.543 13.255 ( 7.254 4.188 -4.350) 9.438 13.391 ( 8.028 4.635 5.636) 10.848 13.929 ( -5.264 -3.039 -2.409) 6.538 14.462 ( 1.779 1.027 -0.006) 2.054 15.095 ( -9.215 -5.320 1.856) 10.801 15.200 ( -9.099 -5.254 -2.463) 10.792 15.452 ( -19.183 -11.075 10.751) 24.621 15.696 ( -11.060 -6.385 -11.187) 16.977 15.859 ( -1.496 -0.864 0.607) 1.831 16.530 ( 21.642 12.495 1.661) 25.045 17.129 ( 4.040 2.332 6.381) 7.905 17.216 ( 2.945 1.701 9.543) 10.131 17.242 ( 3.112 1.797 -5.531) 6.596 17.392 ( 3.540 2.044 -8.957) 9.846 17.471 ( 2.281 1.317 -2.596) 3.698 18.389 ( -2.230 -1.287 -1.254) 2.864 18.531 ( -4.929 -2.846 2.010) 6.036 18.619 ( -3.075 -1.775 1.896) 4.025 18.703 ( -2.281 -1.317 -1.881) 3.237 18.929 ( -8.703 -5.025 0.586) 10.067 18.978 ( -7.468 -4.312 -0.319) 8.630 20.061 ( 10.596 6.118 0.486) 12.245 20.434 ( 2.749 1.587 -1.745) 3.623 20.836 ( -0.732 -0.423 1.292) 1.544 21.012 ( -5.800 -3.349 -0.307) 6.704 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 24.200 13.972 1.554) 27.987 1.739 ( 22.882 13.211 2.953) 26.586 2.363 ( 10.525 6.077 -16.451) 20.453 2.586 ( 9.406 5.430 4.001) 11.574 2.688 ( 9.961 5.751 19.048) 22.251 2.869 ( 3.857 2.227 -8.845) 9.903 3.267 ( 20.544 11.861 1.230) 23.755 3.304 ( 16.579 9.572 -3.111) 19.395 3.337 ( 4.944 2.854 2.422) 6.201 3.453 ( 0.607 0.350 -6.584) 6.621 3.699 ( 8.208 4.739 1.078) 9.539 3.978 ( -3.058 -1.766 7.143) 7.968 4.458 ( -4.473 -2.583 0.221) 5.170 4.518 ( -12.695 -7.330 -6.285) 15.949 4.727 ( -11.377 -6.568 -0.590) 13.150 4.913 ( -5.442 -3.142 7.348) 9.668 5.054 ( -12.129 -7.003 -5.499) 15.047 5.193 ( -4.574 -2.641 -1.793) 5.578 5.426 ( -4.147 -2.394 5.205) 7.073 5.639 ( -11.265 -6.504 1.068) 13.051 5.741 ( 5.817 3.358 -2.289) 7.096 5.914 ( -3.236 -1.868 4.924) 6.181 5.987 ( -7.843 -4.528 -2.521) 9.401 6.074 ( -3.470 -2.003 -3.131) 5.085 6.097 ( -14.309 -8.261 -2.222) 16.671 6.478 ( -0.379 -0.219 -11.087) 11.096 6.590 ( -0.639 -0.369 10.406) 10.433 6.594 ( 4.172 2.409 1.917) 5.185 6.809 ( 1.187 0.685 -1.637) 2.135 6.985 ( -1.511 -0.872 0.822) 1.928 7.231 ( -1.023 -0.590 6.883) 6.984 7.246 ( -5.187 -2.995 -2.159) 6.367 7.402 ( -5.614 -3.241 -6.786) 9.385 7.523 ( 0.467 0.269 5.029) 5.058 7.543 ( -7.757 -4.479 5.214) 10.365 7.691 ( 3.318 1.916 -5.308) 6.546 7.965 ( 3.739 2.159 5.076) 6.663 8.043 ( -5.875 -3.392 -1.349) 6.917 8.096 ( -4.300 -2.483 1.362) 5.149 8.236 ( 4.039 2.332 -6.376) 7.900 8.386 ( -2.203 -1.272 3.286) 4.155 8.493 ( -10.723 -6.191 -6.091) 13.799 9.309 ( -0.153 -0.088 2.774) 2.779 9.340 ( 6.576 3.796 -0.085) 7.593 9.531 ( 0.698 0.403 0.359) 0.882 9.654 ( 1.664 0.961 -1.198) 2.264 9.797 ( -0.765 -0.442 0.061) 0.885 9.834 ( -0.735 -0.424 0.042) 0.849 10.104 ( -1.195 -0.690 0.428) 1.444 10.124 ( -3.223 -1.861 -0.226) 3.728 10.690 ( 10.570 6.103 -1.829) 12.342 10.734 ( 12.909 7.453 1.551) 14.986 11.057 ( 3.850 2.223 -2.086) 4.911 11.061 ( 6.120 3.534 2.733) 7.577 11.808 ( 2.334 1.348 -0.972) 2.865 12.094 ( 1.414 0.817 -0.314) 1.663 12.183 ( -4.693 -2.709 -1.716) 5.684 12.319 ( 1.578 0.911 4.358) 4.724 12.379 ( 3.951 2.281 -0.070) 4.563 12.465 ( 4.636 2.677 4.722) 7.138 12.538 ( 4.145 2.393 -5.680) 7.428 12.726 ( 7.921 4.573 2.079) 9.379 12.997 ( 12.595 7.272 -5.853) 15.677 13.048 ( 10.155 5.863 -7.142) 13.730 13.339 ( 7.712 4.452 9.362) 12.920 13.464 ( 10.880 6.282 -3.706) 13.099 13.531 ( 3.905 2.255 7.212) 8.506 13.794 ( -6.432 -3.714 -1.226) 7.528 14.500 ( 1.434 0.828 -0.617) 1.767 14.890 ( -9.241 -5.335 2.205) 10.896 14.993 ( -9.274 -5.354 -2.856) 11.083 15.006 ( -17.551 -10.133 4.359) 20.729 15.517 ( -7.042 -4.066 -6.863) 10.641 15.807 ( -2.905 -1.677 1.333) 3.609 16.991 ( 17.916 10.344 2.387) 20.825 17.198 ( 0.333 0.192 7.033) 7.044 17.276 ( 4.900 2.829 6.183) 8.381 17.329 ( 5.966 3.445 -8.130) 10.656 17.493 ( -0.185 -0.107 -2.232) 2.242 17.530 ( 7.773 4.488 -4.887) 10.220 18.323 ( -3.575 -2.064 -2.887) 5.038 18.413 ( -5.248 -3.030 4.038) 7.281 18.555 ( -2.966 -1.712 2.436) 4.203 18.610 ( -6.911 -3.990 -3.320) 8.643 18.757 ( -5.507 -3.179 2.101) 6.697 18.805 ( -7.783 -4.494 -1.150) 9.060 20.266 ( 7.730 4.463 0.874) 8.969 20.493 ( 2.383 1.376 -1.783) 3.279 20.819 ( -0.745 -0.430 1.393) 1.638 20.893 ( -4.694 -2.710 -0.667) 5.461 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.165 ( 21.756 12.561 0.981) 25.141 2.192 ( 17.142 9.897 2.215) 19.918 2.607 ( 10.864 6.272 -11.354) 16.920 2.748 ( 5.102 2.946 6.108) 8.486 2.883 ( 6.990 4.036 12.965) 15.272 2.887 ( -0.198 -0.114 -8.788) 8.791 3.322 ( -2.199 -1.270 -2.213) 3.369 3.369 ( 4.969 2.869 -2.854) 6.408 3.635 ( 9.441 5.451 5.454) 12.190 3.641 ( -3.474 -2.006 4.855) 6.298 3.892 ( 7.646 4.414 -6.095) 10.728 4.099 ( 12.869 7.430 3.844) 15.349 4.220 ( -13.792 -7.963 -2.936) 16.194 4.396 ( -0.726 -0.419 -1.881) 2.059 4.482 ( -8.196 -4.732 -7.191) 11.886 4.764 ( -6.752 -3.898 5.884) 9.767 4.820 ( -8.691 -5.018 -2.925) 10.453 5.027 ( -10.918 -6.303 4.516) 13.391 5.396 ( -8.588 -4.958 0.203) 9.919 5.404 ( 2.818 1.627 1.078) 3.427 5.716 ( -9.391 -5.422 -6.302) 12.542 5.763 ( -3.779 -2.182 0.977) 4.472 5.943 ( 4.405 2.543 9.407) 10.694 5.958 ( -2.059 -1.189 -0.048) 2.378 6.014 ( -2.961 -1.710 -1.833) 3.879 6.401 ( -3.336 -1.926 -4.219) 5.712 6.662 ( 3.268 1.887 0.586) 3.819 6.695 ( 3.872 2.236 0.283) 4.480 6.806 ( -2.301 -1.328 -2.696) 3.786 6.953 ( -1.111 -0.641 1.713) 2.140 7.216 ( 2.840 1.640 -2.735) 4.271 7.229 ( 0.213 0.123 4.753) 4.760 7.326 ( -0.206 -0.119 -5.047) 5.052 7.423 ( -2.589 -1.495 2.278) 3.759 7.504 ( -1.726 -0.996 3.275) 3.833 7.718 ( -2.901 -1.675 -0.705) 3.424 7.897 ( -3.654 -2.110 -3.152) 5.267 7.942 ( -9.359 -5.403 4.739) 11.800 8.057 ( 3.321 1.917 4.970) 6.277 8.176 ( -10.754 -6.209 -4.435) 13.186 8.301 ( 1.910 1.103 -5.835) 6.238 8.439 ( 0.204 0.118 0.516) 0.567 9.328 ( 1.652 0.954 2.876) 3.451 9.483 ( 5.599 3.233 -0.872) 6.524 9.528 ( -0.862 -0.498 0.272) 1.032 9.677 ( -0.062 -0.036 -1.602) 1.604 9.811 ( 1.849 1.067 -1.783) 2.781 9.835 ( 1.341 0.774 2.481) 2.924 10.048 ( -3.436 -1.984 -1.205) 4.146 10.072 ( -1.605 -0.927 1.473) 2.367 10.886 ( 6.682 3.858 -0.918) 7.770 10.984 ( 9.412 5.434 0.574) 10.883 11.131 ( 2.903 1.676 -1.902) 3.855 11.172 ( 3.628 2.095 2.504) 4.881 11.866 ( 2.698 1.558 -0.568) 3.167 12.084 ( -3.863 -2.230 -1.038) 4.580 12.092 ( -1.224 -0.707 -0.158) 1.422 12.338 ( 0.929 0.536 4.612) 4.735 12.478 ( 4.485 2.589 -0.850) 5.248 12.535 ( 1.528 0.882 0.211) 1.777 12.674 ( 6.550 3.781 -2.512) 7.969 12.916 ( 9.152 5.284 -0.088) 10.568 13.178 ( 3.359 1.939 -0.742) 3.949 13.210 ( 5.951 3.436 -7.155) 9.920 13.523 ( -0.146 -0.084 8.624) 8.625 13.572 ( -6.033 -3.483 0.368) 6.976 13.623 ( 11.783 6.803 3.585) 14.070 13.785 ( 9.869 5.698 -2.259) 11.617 14.521 ( 0.527 0.304 -0.601) 0.856 14.683 ( -9.319 -5.380 1.032) 10.810 14.723 ( -7.725 -4.460 2.345) 9.223 14.794 ( -8.553 -4.938 -2.497) 10.187 15.370 ( -5.876 -3.393 -4.754) 8.285 15.743 ( -2.523 -1.457 1.444) 3.252 17.176 ( -1.374 -0.793 3.960) 4.266 17.238 ( 5.331 3.078 -1.270) 6.286 17.423 ( 7.582 4.377 5.946) 10.583 17.470 ( -1.670 -0.964 -1.440) 2.407 17.574 ( 14.470 8.354 -4.769) 17.376 17.692 ( 5.795 3.346 -1.914) 6.960 18.234 ( -4.365 -2.520 -5.527) 7.481 18.315 ( -3.204 -1.850 5.275) 6.443 18.436 ( -7.063 -4.078 -0.576) 8.176 18.475 ( -4.412 -2.547 2.174) 5.538 18.645 ( -6.267 -3.618 -1.842) 7.467 18.671 ( -3.031 -1.750 1.096) 3.668 20.405 ( 4.750 2.743 0.961) 5.569 20.537 ( 1.573 0.908 -1.321) 2.246 20.804 ( -0.572 -0.330 1.069) 1.257 20.806 ( -3.112 -1.797 -0.818) 3.686 ======================= Grid point 5 (6/42) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.467 ( 6.836 3.947 0.890) 7.944 2.575 ( 12.982 7.495 0.169) 14.991 2.806 ( 5.645 3.259 -5.179) 8.325 2.821 ( 1.668 0.963 3.389) 3.898 2.883 ( -0.335 -0.194 -3.847) 3.867 2.971 ( 0.610 0.352 5.242) 5.289 3.297 ( -0.165 -0.095 -1.273) 1.287 3.384 ( -4.552 -2.628 1.095) 5.369 3.613 ( 5.447 3.145 -1.073) 6.381 3.794 ( 4.869 2.811 6.300) 8.444 3.926 ( -11.248 -6.494 0.766) 13.010 3.937 ( -2.635 -1.521 -4.731) 5.625 4.252 ( 2.184 1.261 4.013) 4.740 4.421 ( 2.187 1.263 -4.088) 4.805 4.446 ( 2.953 1.705 -9.448) 10.044 4.638 ( -7.082 -4.089 0.310) 8.184 4.663 ( -1.825 -1.054 2.497) 3.267 4.792 ( -7.892 -4.556 5.041) 10.414 5.273 ( -2.997 -1.731 -1.117) 3.637 5.486 ( 3.208 1.852 -0.649) 3.760 5.654 ( -4.317 -2.492 3.623) 6.162 5.678 ( 3.153 1.820 -2.463) 4.395 5.925 ( -0.956 -0.552 -0.089) 1.107 5.968 ( -0.966 -0.558 -0.735) 1.336 6.021 ( 1.999 1.154 4.558) 5.109 6.355 ( -0.949 -0.548 -0.382) 1.160 6.666 ( -1.842 -1.064 -4.481) 4.960 6.750 ( 1.140 0.658 0.088) 1.319 6.771 ( -0.100 -0.058 0.442) 0.457 6.935 ( -0.591 -0.341 0.978) 1.193 7.226 ( -0.424 -0.245 1.362) 1.447 7.285 ( 1.327 0.766 -1.458) 2.115 7.405 ( 3.825 2.209 1.619) 4.704 7.455 ( 7.640 4.411 -6.455) 10.931 7.464 ( -1.342 -0.775 1.546) 2.189 7.607 ( -3.738 -2.158 0.702) 4.373 7.698 ( -11.901 -6.871 6.453) 15.181 7.883 ( 0.424 0.245 -2.115) 2.171 7.983 ( -5.563 -3.212 -2.086) 6.754 8.110 ( 1.273 0.735 2.209) 2.654 8.326 ( 0.484 0.279 -2.469) 2.531 8.445 ( 0.171 0.099 0.187) 0.272 9.366 ( 1.237 0.714 1.621) 2.161 9.505 ( -0.879 -0.507 -0.319) 1.063 9.583 ( 3.577 2.065 -0.962) 4.241 9.648 ( -2.278 -1.315 -0.166) 2.636 9.856 ( 1.520 0.878 -1.285) 2.176 9.887 ( 2.649 1.529 2.547) 3.980 9.976 ( -2.815 -1.625 -1.907) 3.768 10.039 ( -1.084 -0.626 1.111) 1.674 10.982 ( 2.060 1.189 -0.144) 2.383 11.147 ( 5.020 2.898 -0.599) 5.828 11.182 ( 1.351 0.780 -0.914) 1.808 11.211 ( -0.293 -0.169 1.716) 1.749 11.918 ( 1.618 0.934 -0.061) 1.869 12.019 ( -1.788 -1.032 -0.513) 2.127 12.063 ( -0.871 -0.503 -0.016) 1.006 12.360 ( 0.698 0.403 2.066) 2.218 12.550 ( 0.121 0.070 -0.531) 0.549 12.558 ( 2.141 1.236 -0.452) 2.513 12.781 ( 2.585 1.493 -0.930) 3.127 13.122 ( 8.528 4.924 -0.862) 9.885 13.218 ( 0.735 0.424 1.329) 1.576 13.294 ( 1.800 1.039 -4.263) 4.743 13.394 ( -8.046 -4.645 1.231) 9.371 13.465 ( -2.317 -1.338 3.435) 4.354 13.882 ( 8.170 4.717 1.498) 9.552 13.998 ( 6.531 3.771 -0.907) 7.596 14.498 ( -6.014 -3.472 0.227) 6.948 14.533 ( 0.859 0.496 0.072) 0.994 14.626 ( -5.735 -3.311 -1.292) 6.747 14.632 ( -1.488 -0.859 0.895) 1.937 15.274 ( -2.425 -1.400 -1.883) 3.374 15.704 ( -0.927 -0.535 0.622) 1.238 17.152 ( -0.625 -0.361 1.282) 1.471 17.315 ( 2.050 1.184 -1.655) 2.888 17.430 ( -1.531 -0.884 -0.082) 1.770 17.594 ( 7.048 4.069 5.153) 9.632 17.741 ( -1.866 -1.077 -2.853) 3.575 17.847 ( 8.017 4.628 -1.828) 9.435 18.155 ( -1.837 -1.061 -3.346) 3.961 18.277 ( -0.386 -0.223 3.189) 3.220 18.333 ( -2.156 -1.245 0.485) 2.537 18.369 ( -4.165 -2.404 0.734) 4.865 18.541 ( -2.655 -1.533 -1.037) 3.237 18.617 ( -1.532 -0.884 0.357) 1.805 20.478 ( 1.730 0.999 0.476) 2.054 20.561 ( 0.556 0.321 -0.491) 0.809 20.757 ( -1.214 -0.701 -0.427) 1.466 20.795 ( -0.225 -0.130 0.405) 0.481 ======================= Grid point 12 (7/42) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 13.980 24.214 0.000) 27.959 1.073 ( 15.829 27.416 0.000) 31.658 2.026 ( 28.242 48.917 0.000) 56.485 2.170 ( 5.402 9.356 0.000) 10.803 2.202 ( 5.784 10.018 0.000) 11.568 2.402 ( 5.203 9.012 0.000) 10.407 2.565 ( 8.855 15.338 0.000) 17.711 3.305 ( -2.293 -3.971 0.000) 4.585 3.331 ( -2.589 -4.485 0.000) 5.178 3.508 ( 3.215 5.568 0.000) 6.430 3.531 ( -1.109 -1.921 0.000) 2.219 4.042 ( -0.138 -0.239 0.000) 0.276 4.609 ( -3.238 -5.608 0.000) 6.476 4.829 ( -4.901 -8.489 0.000) 9.803 4.951 ( -1.625 -2.814 0.000) 3.250 4.999 ( -2.543 -4.405 0.000) 5.087 5.383 ( -5.597 -9.695 0.000) 11.195 5.383 ( -4.863 -8.423 0.000) 9.727 5.535 ( 1.652 2.862 0.000) 3.305 5.550 ( -0.436 -0.756 0.000) 0.872 5.846 ( -0.700 -1.213 0.000) 1.400 6.037 ( 0.498 0.862 0.000) 0.995 6.041 ( -0.945 -1.638 0.000) 1.891 6.223 ( -5.889 -10.200 0.000) 11.778 6.329 ( 1.086 1.881 0.000) 2.172 6.460 ( 1.969 3.411 0.000) 3.939 6.767 ( -2.363 -4.093 0.000) 4.727 6.768 ( -10.521 -18.223 0.000) 21.042 6.856 ( -6.383 -11.056 0.000) 12.767 6.988 ( 0.706 1.222 0.000) 1.411 7.358 ( -3.630 -6.287 0.000) 7.260 7.380 ( -0.072 -0.126 0.000) 0.145 7.515 ( -1.029 -1.782 0.000) 2.057 7.526 ( -2.158 -3.737 0.000) 4.315 7.619 ( -5.329 -9.231 0.000) 10.659 7.781 ( 1.392 2.411 0.000) 2.784 7.945 ( 1.221 2.115 0.000) 2.442 7.993 ( 2.202 3.813 0.000) 4.403 8.112 ( 1.258 2.178 0.000) 2.515 8.174 ( 2.912 5.045 0.000) 5.825 8.288 ( 2.335 4.045 0.000) 4.670 8.971 ( -12.452 -21.568 0.000) 24.905 9.244 ( -0.999 -1.731 0.000) 1.998 9.336 ( -1.502 -2.602 0.000) 3.005 9.521 ( -1.186 -2.055 0.000) 2.373 9.527 ( -0.435 -0.753 0.000) 0.870 9.899 ( -0.143 -0.248 0.000) 0.286 10.091 ( 1.230 2.130 0.000) 2.460 10.097 ( 3.532 6.118 0.000) 7.064 10.103 ( 2.531 4.384 0.000) 5.062 10.279 ( 2.329 4.034 0.000) 4.659 10.294 ( 4.458 7.722 0.000) 8.917 10.859 ( 6.663 11.541 0.000) 13.327 10.960 ( 3.815 6.608 0.000) 7.630 11.753 ( 1.130 1.957 0.000) 2.260 12.013 ( 3.212 5.564 0.000) 6.425 12.137 ( -0.014 -0.025 0.000) 0.029 12.289 ( -0.240 -0.416 0.000) 0.480 12.296 ( 2.427 4.204 0.000) 4.854 12.423 ( 2.964 5.135 0.000) 5.929 12.479 ( 0.205 0.354 0.000) 0.409 12.563 ( -0.161 -0.279 0.000) 0.322 12.568 ( 9.275 16.065 0.000) 18.551 12.675 ( 7.880 13.649 0.000) 15.760 13.210 ( 1.738 3.010 0.000) 3.476 13.234 ( 2.495 4.321 0.000) 4.989 13.339 ( 4.799 8.311 0.000) 9.597 13.960 ( -2.624 -4.545 0.000) 5.248 14.446 ( 0.661 1.145 0.000) 1.322 15.151 ( -5.333 -9.237 0.000) 10.666 15.247 ( -5.502 -9.529 0.000) 11.003 15.611 ( -3.150 -5.455 0.000) 6.299 15.717 ( -13.672 -23.681 0.000) 27.344 15.874 ( -0.651 -1.127 0.000) 1.301 16.403 ( 12.256 21.229 0.000) 24.513 17.106 ( 2.104 3.644 0.000) 4.208 17.174 ( 2.256 3.908 0.000) 4.513 17.284 ( 4.087 7.078 0.000) 8.173 17.323 ( -1.251 -2.167 0.000) 2.502 17.473 ( 2.086 3.614 0.000) 4.173 18.400 ( -1.067 -1.849 0.000) 2.135 18.560 ( -2.571 -4.454 0.000) 5.143 18.636 ( -1.965 -3.403 0.000) 3.930 18.718 ( -0.887 -1.537 0.000) 1.774 18.977 ( -5.018 -8.691 0.000) 10.036 19.022 ( -3.994 -6.917 0.000) 7.987 19.996 ( 6.392 11.072 0.000) 12.785 20.418 ( 1.566 2.712 0.000) 3.132 20.839 ( -0.450 -0.780 0.000) 0.901 21.047 ( -3.353 -5.808 0.000) 6.707 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 19.396 19.952 0.979) 27.843 1.605 ( 17.109 24.827 1.677) 30.198 2.341 ( 3.798 13.525 -17.070) 22.107 2.472 ( 12.664 7.730 11.110) 18.535 2.583 ( 7.533 6.430 8.829) 13.268 2.828 ( 6.330 8.306 -4.002) 11.184 2.953 ( 31.555 33.657 -0.976) 46.147 3.276 ( 0.002 -0.684 0.886) 1.119 3.284 ( 2.836 1.652 -0.819) 3.383 3.478 ( -2.328 -1.407 -3.054) 4.090 3.639 ( 4.929 5.945 1.365) 7.843 4.008 ( -2.195 -2.074 3.497) 4.621 4.492 ( -4.035 -5.143 0.141) 6.539 4.619 ( -9.142 -10.105 -3.711) 14.123 4.827 ( -9.090 -7.323 -0.631) 11.690 4.902 ( -1.060 -7.721 4.495) 8.997 5.162 ( -8.422 -8.723 -2.745) 12.432 5.236 ( -4.499 -4.858 -1.266) 6.741 5.501 ( -5.302 0.982 4.518) 7.035 5.627 ( 5.886 -2.564 -2.628) 6.937 5.768 ( -7.799 -2.321 0.415) 8.147 5.928 ( -5.087 -6.110 1.822) 8.157 6.003 ( -1.199 -11.579 0.323) 11.646 6.064 ( -1.899 -2.675 -2.784) 4.303 6.299 ( -13.763 -4.293 -5.053) 15.277 6.453 ( 2.529 -6.973 6.625) 9.946 6.555 ( -2.174 5.269 -4.123) 7.035 6.681 ( -2.682 -2.320 2.032) 4.087 6.737 ( 2.548 -1.453 -1.566) 3.325 7.000 ( 0.545 -0.531 1.538) 1.716 7.266 ( -3.602 -0.224 0.369) 3.628 7.311 ( -4.458 -3.533 2.714) 6.302 7.443 ( -4.249 -6.818 -2.118) 8.308 7.466 ( -0.345 -4.697 -0.403) 4.727 7.572 ( 2.674 2.678 1.925) 4.245 7.786 ( -4.909 3.307 0.811) 5.974 7.921 ( -0.901 1.282 1.565) 2.215 8.089 ( 2.333 -3.152 -0.564) 3.962 8.126 ( 2.409 -0.436 -3.970) 4.665 8.201 ( -4.974 3.406 -1.058) 6.121 8.354 ( 3.495 -1.594 3.323) 5.079 8.602 ( -11.221 -12.772 -3.365) 17.331 9.272 ( 3.934 2.338 0.180) 4.580 9.300 ( -0.050 -1.847 1.190) 2.198 9.503 ( 0.838 1.499 0.362) 1.755 9.573 ( 5.312 -3.144 -0.267) 6.179 9.824 ( -6.516 0.927 -0.480) 6.599 10.064 ( -7.452 8.626 -0.326) 11.404 10.075 ( -2.979 -1.469 0.548) 3.367 10.202 ( -0.627 4.064 -0.000) 4.112 10.494 ( 14.163 3.740 -0.075) 14.649 10.533 ( 15.606 3.540 -0.102) 16.003 11.026 ( 1.656 8.123 0.798) 8.328 11.095 ( 4.119 7.737 -0.485) 8.778 11.794 ( 1.080 2.471 -0.565) 2.755 12.109 ( 0.857 4.617 -0.367) 4.710 12.163 ( 4.980 -5.351 0.634) 7.338 12.245 ( -2.169 0.268 -1.343) 2.565 12.369 ( 3.464 0.868 -0.309) 3.584 12.450 ( -2.697 3.225 7.163) 8.306 12.572 ( 7.431 2.520 -6.337) 10.086 12.608 ( 2.482 5.967 2.049) 6.780 12.902 ( 11.433 13.754 -1.702) 17.966 12.981 ( 10.116 14.778 -4.948) 18.580 13.252 ( 3.983 0.142 5.194) 6.547 13.391 ( 6.824 8.892 -2.184) 11.420 13.493 ( 4.597 5.382 3.873) 8.069 13.849 ( -4.864 -5.149 -0.917) 7.142 14.468 ( 1.386 -0.579 -0.184) 1.513 14.965 ( -6.990 -7.834 1.382) 10.589 15.030 ( -8.015 -12.023 -1.185) 14.498 15.248 ( -17.900 -10.308 4.130) 21.065 15.516 ( -1.638 -9.709 -5.561) 11.308 15.841 ( -2.133 -1.165 0.474) 2.477 16.837 ( 15.385 17.698 1.143) 23.478 17.192 ( 2.671 3.998 4.893) 6.860 17.251 ( 2.247 3.116 0.646) 3.895 17.286 ( 1.071 0.532 -0.773) 1.424 17.436 ( 5.555 4.273 -3.809) 7.977 17.534 ( 1.356 4.604 -1.912) 5.166 18.350 ( -2.335 -2.752 -1.153) 3.789 18.455 ( -4.206 -4.861 1.803) 6.676 18.576 ( -2.031 -2.499 1.137) 3.416 18.672 ( -3.572 -2.078 -1.991) 4.587 18.788 ( -5.817 -9.299 1.318) 11.048 18.870 ( -5.919 -6.518 -0.437) 8.815 20.202 ( 6.683 7.855 0.409) 10.321 20.474 ( 1.959 2.334 -1.003) 3.208 20.822 ( -0.563 -1.052 0.773) 1.421 20.932 ( -3.945 -4.596 -0.295) 6.064 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( 20.027 16.877 1.110) 26.214 2.101 ( 14.474 22.201 1.875) 26.568 2.558 ( 6.418 13.201 -13.114) 19.684 2.703 ( 5.924 6.626 5.089) 10.242 2.780 ( 9.110 4.170 10.915) 14.816 2.902 ( 0.005 1.350 -4.319) 4.525 3.305 ( 2.336 0.963 -1.669) 3.028 3.363 ( 0.726 1.328 0.419) 1.571 3.543 ( 7.858 7.404 -1.177) 10.861 3.591 ( 12.647 7.465 2.173) 14.846 3.757 ( 6.931 -0.250 -1.703) 7.142 4.012 ( 5.283 6.858 4.027) 9.548 4.341 ( -11.252 -11.020 -4.402) 16.353 4.395 ( -2.240 -4.042 0.032) 4.621 4.548 ( -10.868 -12.560 -2.821) 16.848 4.793 ( -3.316 -6.016 3.655) 7.781 4.968 ( -8.670 -1.727 -2.204) 9.112 5.116 ( -6.329 -5.706 1.952) 8.742 5.398 ( -3.858 -3.095 2.783) 5.675 5.518 ( -9.944 -4.907 1.090) 11.142 5.644 ( 0.418 -12.065 -1.346) 12.148 5.816 ( -9.629 -11.487 -6.359) 16.282 5.897 ( 1.785 -4.268 2.710) 5.361 5.936 ( 0.127 -1.569 1.722) 2.333 6.161 ( -4.215 7.933 0.410) 8.992 6.393 ( -2.223 -8.427 1.581) 8.858 6.588 ( 2.846 4.337 -5.339) 7.444 6.759 ( 2.718 8.854 3.231) 9.809 6.784 ( 2.113 -0.183 -2.291) 3.122 7.004 ( -1.081 2.380 2.098) 3.352 7.225 ( -1.405 0.203 1.070) 1.777 7.229 ( -1.217 0.593 0.441) 1.424 7.357 ( -2.386 -0.646 -3.171) 4.021 7.406 ( -1.107 -4.523 1.794) 4.990 7.574 ( -4.962 1.755 4.067) 6.652 7.763 ( -0.527 3.068 -2.805) 4.190 7.939 ( 3.041 -4.834 1.486) 5.901 8.003 ( -6.627 -2.085 0.791) 6.992 8.062 ( -9.544 -0.974 -0.042) 9.594 8.206 ( 4.487 -4.438 -2.621) 6.833 8.285 ( -6.716 -7.148 -1.160) 9.877 8.432 ( 0.445 -1.974 -1.280) 2.395 9.303 ( 1.700 0.095 2.243) 2.816 9.391 ( 6.639 1.378 -0.682) 6.815 9.541 ( 1.038 1.496 0.700) 1.951 9.634 ( 4.725 -1.929 -0.361) 5.116 9.733 ( -3.826 -1.200 -1.419) 4.253 9.993 ( -1.282 -6.832 0.585) 6.976 10.043 ( -7.437 13.175 0.230) 15.130 10.215 ( -4.200 7.363 0.109) 8.477 10.737 ( 11.300 1.967 -0.650) 11.489 10.827 ( 15.553 1.493 0.234) 15.626 11.094 ( -0.712 5.789 0.191) 5.835 11.225 ( 2.326 6.896 0.404) 7.289 11.838 ( 1.588 2.137 -0.532) 2.715 12.107 ( -1.611 -3.047 -0.941) 3.573 12.138 ( -2.889 0.836 0.151) 3.011 12.297 ( 5.842 -0.565 1.570) 6.076 12.396 ( -0.376 0.493 -2.593) 2.666 12.484 ( 4.435 -0.547 6.419) 7.821 12.715 ( 1.436 11.157 -4.841) 12.246 12.753 ( 10.933 0.123 -0.034) 10.934 13.171 ( 6.329 9.778 -3.901) 12.283 13.188 ( 1.571 6.706 -3.542) 7.745 13.432 ( 13.209 6.592 7.500) 16.558 13.566 ( 0.703 1.187 5.016) 5.202 13.593 ( 4.422 4.551 -1.842) 6.607 13.730 ( -0.910 -1.036 -0.948) 1.673 14.475 ( 1.648 -3.235 -0.428) 3.656 14.765 ( -7.796 -7.868 4.295) 11.880 14.781 ( -7.355 -8.974 -3.494) 12.118 14.940 ( -12.038 -4.030 0.569) 12.707 15.390 ( -3.055 -7.829 -4.246) 9.415 15.789 ( -3.032 -0.070 0.941) 3.175 17.116 ( 3.766 -0.902 1.193) 4.052 17.256 ( 1.482 7.606 3.879) 8.666 17.365 ( 5.419 5.900 5.072) 9.481 17.430 ( 12.284 8.459 -6.541) 16.286 17.498 ( -0.438 1.536 -1.074) 1.925 17.659 ( 4.847 7.929 -2.302) 9.574 18.271 ( -3.470 -3.508 -3.121) 5.838 18.345 ( -3.565 -3.780 3.667) 6.360 18.499 ( -5.268 -5.039 -0.737) 7.328 18.528 ( -6.060 -3.760 0.626) 7.159 18.663 ( -1.742 -6.170 1.348) 6.551 18.716 ( -5.506 -4.490 -1.027) 7.179 20.362 ( 4.855 5.145 0.738) 7.112 20.524 ( 1.571 1.776 -1.205) 2.660 20.802 ( -0.346 -1.367 0.971) 1.712 20.835 ( -3.119 -3.252 -0.608) 4.547 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.394 ( 15.262 13.699 1.019) 20.534 2.488 ( 8.372 17.213 0.899) 19.162 2.781 ( 4.929 9.572 -6.294) 12.472 2.816 ( 1.827 4.990 3.728) 6.491 2.876 ( 1.926 0.447 -5.740) 6.071 2.974 ( 2.488 5.011 7.641) 9.470 3.310 ( -0.909 0.812 -1.450) 1.895 3.420 ( -0.833 0.179 -1.665) 1.870 3.554 ( 1.231 -3.718 2.737) 4.778 3.736 ( 4.017 1.810 6.171) 7.582 3.907 ( 6.197 -0.662 -4.754) 7.839 4.038 ( -11.432 -10.750 -0.583) 15.703 4.189 ( 4.751 0.424 3.529) 5.933 4.284 ( 1.819 -10.806 -6.027) 12.506 4.400 ( 3.196 -2.635 -4.042) 5.787 4.704 ( -4.585 -1.527 1.298) 5.003 4.755 ( -14.094 -6.767 1.370) 15.694 4.944 ( -7.276 0.927 2.392) 7.715 5.300 ( -1.049 -5.557 0.385) 5.668 5.431 ( 0.148 -4.745 -2.633) 5.429 5.529 ( 1.678 -11.055 1.558) 11.289 5.629 ( 0.208 -3.688 -1.672) 4.055 5.881 ( 2.477 -7.000 -0.430) 7.438 5.975 ( 2.309 -0.327 5.165) 5.667 6.172 ( -7.302 12.409 1.053) 14.436 6.327 ( 0.388 -0.291 1.195) 1.290 6.649 ( 1.648 -1.315 -6.085) 6.440 6.794 ( -1.161 2.921 -3.066) 4.391 6.865 ( -1.659 10.237 3.119) 10.830 7.011 ( -3.521 6.260 0.315) 7.189 7.218 ( -0.086 -1.424 2.556) 2.927 7.289 ( 2.341 5.296 -1.381) 5.953 7.360 ( 1.632 2.750 -1.440) 3.507 7.376 ( 3.708 -0.720 -0.307) 3.789 7.503 ( -3.657 0.073 1.915) 4.129 7.741 ( -7.372 2.396 1.189) 7.842 7.835 ( -11.536 -4.495 2.746) 12.681 7.875 ( -1.635 -1.356 -1.992) 2.912 7.939 ( 0.443 -10.697 -2.127) 10.915 8.114 ( -2.623 -3.070 1.993) 4.503 8.259 ( 4.355 -5.097 -3.018) 7.352 8.439 ( 1.063 -0.869 -0.173) 1.384 9.347 ( 2.205 1.522 2.245) 3.496 9.492 ( 4.066 -0.565 -0.936) 4.211 9.552 ( -0.088 0.497 0.058) 0.508 9.655 ( -1.206 -1.506 -1.015) 2.180 9.712 ( 4.354 -2.849 -0.284) 5.211 9.908 ( -0.466 -7.128 0.552) 7.165 10.075 ( -5.100 14.430 0.064) 15.304 10.203 ( -6.714 9.126 0.248) 11.332 10.902 ( 7.069 -0.063 -0.423) 7.082 11.041 ( 9.315 -3.576 0.104) 9.978 11.143 ( 1.086 6.660 -0.228) 6.752 11.291 ( -1.243 4.491 0.618) 4.701 11.888 ( 2.200 1.210 -0.265) 2.525 12.045 ( -2.397 -1.594 -0.627) 2.947 12.100 ( -2.800 1.262 0.118) 3.073 12.367 ( 1.224 1.548 4.824) 5.212 12.410 ( 4.449 -4.305 -4.079) 7.414 12.541 ( 4.230 -3.072 1.781) 5.523 12.830 ( -0.490 10.099 -2.425) 10.398 12.943 ( 11.441 -1.021 -1.563) 11.593 13.242 ( 0.960 2.929 2.837) 4.189 13.309 ( 1.276 6.018 -5.555) 8.289 13.492 ( -7.432 -3.988 0.925) 8.485 13.497 ( -3.854 -1.992 4.761) 6.442 13.769 ( 12.375 8.104 1.965) 14.923 13.906 ( 9.386 6.195 -1.144) 11.305 14.466 ( 1.518 -4.643 -0.420) 4.903 14.574 ( -6.100 -5.915 1.503) 8.629 14.636 ( -2.805 -4.185 -2.085) 5.453 14.730 ( -8.840 -3.281 0.830) 9.465 15.280 ( -2.055 -5.149 -2.670) 6.153 15.747 ( -2.833 1.894 0.754) 3.490 17.107 ( 1.358 -4.865 1.109) 5.172 17.327 ( 0.113 4.431 -0.887) 4.520 17.492 ( -2.536 3.649 -0.788) 4.513 17.532 ( 6.443 6.712 5.269) 10.693 17.744 ( 11.594 9.007 -2.597) 14.910 17.779 ( 0.247 5.438 -1.765) 5.723 18.178 ( -2.908 -3.155 -4.663) 6.336 18.259 ( -2.211 -4.484 3.159) 5.914 18.363 ( -2.741 -2.915 0.903) 4.102 18.422 ( -4.711 -2.975 1.663) 5.814 18.569 ( -2.915 -3.930 -0.747) 4.950 18.614 ( -1.989 -4.202 -0.040) 4.649 20.464 ( 2.459 3.278 0.682) 4.154 20.558 ( 0.734 1.266 -0.802) 1.669 20.767 ( -1.713 -2.284 -0.606) 2.919 20.786 ( 0.168 -1.607 0.667) 1.748 ======================= Grid point 16 (11/42) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.602 ( -5.465 9.466 0.000) 10.930 2.684 ( -1.753 3.036 -0.000) 3.505 2.842 ( -0.673 1.166 0.000) 1.346 2.852 ( -0.445 0.772 -0.000) 0.891 2.941 ( -3.790 6.564 -0.000) 7.579 2.994 ( -1.488 2.577 0.000) 2.975 3.310 ( -0.864 1.497 -0.000) 1.728 3.342 ( 0.684 -1.185 -0.000) 1.369 3.654 ( 0.359 -0.621 0.000) 0.717 3.802 ( 2.778 -4.812 -0.000) 5.557 3.804 ( 1.428 -2.474 0.000) 2.857 3.874 ( 2.618 -4.535 0.000) 5.236 4.252 ( 0.694 -1.203 -0.000) 1.389 4.394 ( 1.817 -3.147 0.000) 3.634 4.421 ( 5.259 -9.110 -0.000) 10.519 4.482 ( -0.182 0.316 0.000) 0.365 4.606 ( 2.745 -4.754 -0.000) 5.490 4.919 ( -6.505 11.267 0.000) 13.010 5.264 ( -0.324 0.562 -0.000) 0.649 5.372 ( 10.385 -17.988 -0.000) 20.770 5.511 ( 2.047 -3.546 -0.000) 4.095 5.656 ( 1.354 -2.345 -0.000) 2.708 5.862 ( 4.149 -7.186 -0.000) 8.297 5.986 ( 2.327 -4.031 0.000) 4.655 6.168 ( -8.277 14.337 -0.000) 16.555 6.351 ( -2.546 4.410 0.000) 5.093 6.646 ( 0.257 -0.445 -0.000) 0.514 6.803 ( -1.822 3.156 0.000) 3.644 6.906 ( -6.407 11.098 -0.000) 12.815 6.999 ( -3.801 6.584 -0.000) 7.603 7.202 ( 0.934 -1.618 -0.000) 1.869 7.314 ( -1.103 1.910 -0.000) 2.206 7.421 ( -0.283 0.490 0.000) 0.565 7.452 ( 0.096 -0.167 0.000) 0.192 7.558 ( -0.125 0.216 0.000) 0.250 7.586 ( -0.472 0.817 0.000) 0.944 7.678 ( -4.653 8.059 -0.000) 9.306 7.857 ( 3.426 -5.934 -0.000) 6.852 7.874 ( 2.105 -3.646 0.000) 4.210 8.090 ( 1.867 -3.234 0.000) 3.734 8.271 ( 3.322 -5.754 -0.000) 6.644 8.444 ( 0.533 -0.923 -0.000) 1.066 9.381 ( -0.523 0.906 0.000) 1.047 9.503 ( -0.252 0.436 -0.000) 0.503 9.577 ( 2.531 -4.384 -0.000) 5.062 9.624 ( -0.294 0.509 0.000) 0.587 9.747 ( 2.242 -3.884 0.000) 4.485 9.860 ( 3.183 -5.513 0.000) 6.366 10.117 ( -7.650 13.249 0.000) 15.299 10.180 ( -6.025 10.435 0.000) 12.049 10.963 ( 1.527 -2.645 -0.000) 3.054 11.080 ( 3.142 -5.442 -0.000) 6.284 11.227 ( -1.064 1.843 0.000) 2.128 11.280 ( -2.430 4.209 -0.000) 4.860 11.918 ( 0.253 -0.438 0.000) 0.506 12.012 ( -0.342 0.593 -0.000) 0.685 12.081 ( -1.178 2.041 -0.000) 2.357 12.381 ( -0.930 1.610 -0.000) 1.859 12.432 ( 4.011 -6.947 0.000) 8.022 12.563 ( 2.570 -4.452 0.000) 5.141 12.877 ( -4.240 7.344 -0.000) 8.480 13.055 ( 4.010 -6.946 0.000) 8.020 13.293 ( 0.956 -1.657 0.000) 1.913 13.345 ( -3.648 6.318 -0.000) 7.296 13.359 ( -1.234 2.138 0.000) 2.468 13.447 ( 0.178 -0.308 -0.000) 0.356 13.946 ( -0.977 1.691 0.000) 1.953 14.029 ( 0.161 -0.278 0.000) 0.321 14.417 ( 2.032 -3.519 -0.000) 4.063 14.532 ( 0.769 -1.333 -0.000) 1.539 14.566 ( 1.363 -2.361 0.000) 2.726 14.632 ( -0.189 0.327 -0.000) 0.378 15.236 ( 1.300 -2.251 0.000) 2.599 15.733 ( -1.874 3.246 0.000) 3.748 17.093 ( 2.587 -4.481 -0.000) 5.174 17.350 ( -1.238 2.144 0.000) 2.475 17.486 ( -3.246 5.622 0.000) 6.492 17.662 ( -0.989 1.713 -0.000) 1.978 17.766 ( -2.748 4.759 0.000) 5.495 17.907 ( -0.801 1.387 -0.000) 1.602 18.141 ( 0.277 -0.480 0.000) 0.555 18.212 ( 2.805 -4.858 -0.000) 5.610 18.337 ( 0.330 -0.572 0.000) 0.660 18.349 ( -0.641 1.110 0.000) 1.282 18.521 ( 0.349 -0.605 0.000) 0.699 18.573 ( 2.004 -3.472 0.000) 4.009 20.502 ( -0.820 1.421 -0.000) 1.640 20.571 ( -0.391 0.677 -0.000) 0.782 20.740 ( 0.618 -1.070 -0.000) 1.235 20.779 ( 0.854 -1.480 0.000) 1.709 ======================= Grid point 25 (12/42) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 13.318 23.067 0.000) 26.635 2.095 ( 14.560 25.219 0.000) 29.120 2.608 ( 6.857 11.877 0.000) 13.715 2.663 ( 7.509 13.006 0.000) 15.018 2.707 ( 3.787 6.558 0.000) 7.573 2.909 ( 0.402 0.696 0.000) 0.803 3.294 ( 1.667 2.887 0.000) 3.334 3.347 ( 1.462 2.532 0.000) 2.924 3.491 ( 9.938 17.212 0.000) 19.875 3.522 ( 4.787 8.292 0.000) 9.575 3.703 ( -0.244 -0.423 0.000) 0.488 4.009 ( 2.418 4.188 0.000) 4.836 4.373 ( -6.168 -10.684 0.000) 12.336 4.402 ( -4.855 -8.409 0.000) 9.710 4.589 ( -9.408 -16.295 0.000) 18.815 4.779 ( -2.366 -4.097 0.000) 4.731 5.033 ( -2.342 -4.057 0.000) 4.685 5.139 ( -3.409 -5.905 0.000) 6.818 5.442 ( -7.060 -12.228 0.000) 14.119 5.517 ( -0.814 -1.410 0.000) 1.628 5.675 ( -9.744 -16.878 0.000) 19.489 5.751 ( -1.395 -2.417 0.000) 2.791 5.890 ( -7.947 -13.765 0.000) 15.895 5.934 ( 1.783 3.088 0.000) 3.566 6.289 ( 1.509 2.614 0.000) 3.018 6.302 ( -3.010 -5.213 0.000) 6.020 6.614 ( 0.135 0.234 0.000) 0.271 6.733 ( 4.590 7.950 0.000) 9.180 6.804 ( 3.065 5.309 0.000) 6.130 7.009 ( 1.433 2.482 0.000) 2.866 7.250 ( -0.912 -1.579 0.000) 1.823 7.257 ( -1.564 -2.709 0.000) 3.128 7.344 ( -1.104 -1.912 0.000) 2.208 7.420 ( -0.115 -0.200 0.000) 0.230 7.629 ( 0.794 1.375 0.000) 1.588 7.793 ( -1.092 -1.892 0.000) 2.184 7.886 ( -2.861 -4.955 0.000) 5.722 8.054 ( -0.331 -0.573 0.000) 0.661 8.086 ( -1.494 -2.588 0.000) 2.988 8.233 ( -2.417 -4.186 0.000) 4.833 8.280 ( -2.228 -3.858 0.000) 4.455 8.396 ( -4.244 -7.351 0.000) 8.489 9.288 ( 0.538 0.931 0.000) 1.076 9.331 ( 2.105 3.645 0.000) 4.209 9.555 ( 1.047 1.814 0.000) 2.094 9.558 ( 1.491 2.582 0.000) 2.982 9.786 ( -2.321 -4.020 0.000) 4.642 9.962 ( -3.361 -5.821 0.000) 6.721 10.243 ( 2.748 4.760 0.000) 5.496 10.284 ( 2.627 4.550 0.000) 5.254 10.623 ( 5.437 9.417 0.000) 10.874 10.652 ( 5.218 9.038 0.000) 10.437 11.179 ( 3.502 6.065 0.000) 7.003 11.197 ( 2.274 3.938 0.000) 4.548 11.854 ( 1.833 3.176 0.000) 3.667 12.069 ( -1.827 -3.164 0.000) 3.653 12.179 ( 0.824 1.428 0.000) 1.648 12.256 ( 0.434 0.751 0.000) 0.867 12.375 ( 0.089 0.154 0.000) 0.178 12.521 ( -0.183 -0.318 0.000) 0.367 12.577 ( 3.320 5.750 0.000) 6.639 12.784 ( 5.268 9.125 0.000) 10.537 13.161 ( 7.056 12.222 0.000) 14.113 13.248 ( 0.215 0.372 0.000) 0.430 13.307 ( 9.912 17.168 0.000) 19.824 13.568 ( 4.882 8.456 0.000) 9.764 13.569 ( 1.002 1.736 0.000) 2.004 13.742 ( -2.784 -4.822 0.000) 5.568 14.441 ( -1.124 -1.946 0.000) 2.247 14.791 ( -6.417 -11.115 0.000) 12.835 14.800 ( -5.308 -9.193 0.000) 10.615 15.040 ( -6.440 -11.154 0.000) 12.879 15.361 ( -3.787 -6.559 0.000) 7.573 15.818 ( -0.606 -1.050 0.000) 1.212 17.078 ( 1.547 2.679 0.000) 3.094 17.316 ( 6.215 10.764 0.000) 12.430 17.323 ( 2.118 3.669 0.000) 4.236 17.358 ( 5.682 9.842 0.000) 11.364 17.508 ( 1.522 2.637 0.000) 3.045 17.662 ( 4.867 8.430 0.000) 9.734 18.282 ( -2.555 -4.425 0.000) 5.109 18.357 ( -2.708 -4.690 0.000) 5.416 18.517 ( -2.503 -4.334 0.000) 5.005 18.586 ( -5.687 -9.850 0.000) 11.374 18.622 ( -2.262 -3.919 0.000) 4.525 18.742 ( -3.692 -6.395 0.000) 7.385 20.345 ( 3.891 6.740 0.000) 7.783 20.519 ( 1.328 2.301 0.000) 2.657 20.797 ( -0.848 -1.469 0.000) 1.697 20.845 ( -2.456 -4.253 0.000) 4.911 ======================= Grid point 26 (13/42) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( 14.615 19.149 0.441) 24.094 2.544 ( 10.228 22.738 0.721) 24.943 2.799 ( 2.937 7.652 2.341) 8.524 2.832 ( 5.151 5.233 -5.463) 9.153 2.878 ( 0.502 9.370 -4.381) 10.356 2.958 ( 6.798 6.458 7.035) 11.722 3.345 ( -0.897 3.549 -0.359) 3.678 3.401 ( 4.247 2.054 -1.036) 4.830 3.522 ( -4.365 -8.306 0.980) 9.434 3.685 ( 1.006 -2.623 3.839) 4.757 3.775 ( 10.753 8.575 -3.593) 14.215 4.094 ( -8.974 -12.520 2.905) 15.676 4.127 ( 3.186 0.991 -1.294) 3.579 4.232 ( -8.981 -15.176 -2.478) 17.807 4.335 ( -1.113 -5.618 -1.258) 5.864 4.745 ( -0.861 -0.616 -0.379) 1.125 4.935 ( -11.663 -3.199 3.319) 12.541 5.005 ( -3.691 -6.040 0.367) 7.088 5.234 ( -2.903 -7.444 -0.233) 7.993 5.326 ( -2.427 -21.582 -2.121) 21.821 5.518 ( -3.930 1.139 -0.407) 4.112 5.622 ( -5.384 -5.752 -2.226) 8.187 5.742 ( 3.541 -9.641 2.718) 10.624 5.977 ( -1.193 0.872 1.642) 2.209 6.294 ( 2.740 7.852 1.202) 8.403 6.376 ( 0.651 6.794 0.325) 6.833 6.614 ( 0.880 -0.708 -2.963) 3.171 6.851 ( 0.044 6.715 -1.873) 6.971 6.932 ( 4.248 7.820 1.124) 8.971 7.100 ( 2.045 8.044 -0.249) 8.303 7.212 ( -0.906 -1.526 1.826) 2.546 7.274 ( 3.383 4.128 -0.183) 5.341 7.328 ( 0.685 -1.186 1.472) 2.011 7.435 ( -2.132 5.335 -1.354) 5.902 7.583 ( -5.325 -1.382 1.958) 5.840 7.765 ( 0.634 -2.855 -0.894) 3.059 7.794 ( 0.529 -8.866 -2.161) 9.141 7.962 ( -7.965 -1.457 1.505) 8.236 8.044 ( -8.039 -2.737 -0.910) 8.541 8.112 ( 3.013 -6.839 -1.768) 7.680 8.143 ( -7.559 -5.036 1.931) 9.286 8.362 ( 4.306 -5.479 -0.434) 6.982 9.332 ( 2.029 3.046 1.465) 3.942 9.403 ( 4.051 0.074 -1.015) 4.177 9.575 ( -0.865 1.795 1.080) 2.267 9.624 ( 3.633 0.440 -1.050) 3.808 9.701 ( -3.655 -1.948 -0.873) 4.233 9.858 ( -1.641 -6.815 0.663) 7.041 10.299 ( -4.061 12.831 0.033) 13.459 10.367 ( -0.860 7.869 0.154) 7.918 10.793 ( 6.401 3.321 -0.585) 7.235 10.847 ( 10.232 1.240 0.404) 10.315 11.212 ( -2.128 4.692 -0.219) 5.157 11.300 ( 3.699 1.851 0.348) 4.151 11.902 ( -0.390 4.357 -0.065) 4.375 12.039 ( 0.989 -2.542 -0.256) 2.739 12.167 ( -2.811 1.221 0.263) 3.076 12.284 ( 2.384 -0.708 0.506) 2.538 12.386 ( 2.900 -2.825 -4.386) 5.969 12.478 ( -2.721 -0.045 6.656) 7.191 12.751 ( 10.073 2.437 -3.871) 11.063 12.938 ( 1.593 10.095 -0.104) 10.221 13.243 ( -0.036 -0.787 0.804) 1.126 13.338 ( 2.833 6.567 -1.463) 7.300 13.530 ( -2.628 -2.138 2.314) 4.103 13.565 ( -4.657 -3.468 0.312) 5.814 13.658 ( 11.312 11.927 0.531) 16.447 13.827 ( 7.983 8.802 -0.414) 11.890 14.410 ( 0.425 -2.582 -0.360) 2.641 14.610 ( -6.424 -8.139 2.719) 10.719 14.634 ( -3.142 -6.697 -3.017) 7.989 14.826 ( -8.013 -7.759 0.611) 11.170 15.255 ( -1.906 -5.708 -1.292) 6.155 15.805 ( -1.237 1.595 0.273) 2.037 17.052 ( -0.523 -4.071 0.352) 4.120 17.373 ( -0.043 3.869 -0.254) 3.878 17.498 ( 5.909 8.184 2.471) 10.393 17.555 ( 0.455 4.280 -0.254) 4.312 17.655 ( 10.974 13.212 -1.432) 17.235 17.824 ( 3.350 8.891 -0.759) 9.532 18.181 ( -3.002 -5.788 -0.938) 6.588 18.282 ( -3.646 -2.589 -0.077) 4.472 18.364 ( -4.081 -8.180 0.351) 9.148 18.458 ( -3.557 -4.077 1.066) 5.515 18.546 ( -1.306 -5.407 0.412) 5.578 18.626 ( -3.767 -4.975 -0.634) 6.272 20.458 ( 2.892 4.727 0.328) 5.552 20.560 ( 1.008 1.976 -0.447) 2.263 20.767 ( -0.487 -2.163 0.376) 2.249 20.771 ( -2.029 -3.320 -0.288) 3.901 ======================= Grid point 27 (14/42) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.674 ( 9.991 14.425 0.408) 17.552 2.806 ( -0.946 12.771 0.870) 12.836 2.865 ( -0.009 2.192 -1.780) 2.824 2.883 ( -2.041 4.476 1.358) 5.103 3.038 ( 1.816 11.239 -5.775) 12.766 3.101 ( -1.907 9.074 5.099) 10.582 3.331 ( -3.234 -6.695 0.994) 7.501 3.358 ( -1.836 3.750 -0.459) 4.200 3.552 ( 9.697 1.060 -1.689) 9.900 3.674 ( 5.228 -5.614 2.473) 8.060 3.797 ( -8.829 -12.086 2.282) 15.140 3.830 ( -5.967 -11.784 -2.882) 13.519 4.181 ( 12.824 5.055 -3.970) 14.345 4.203 ( 4.446 -0.402 3.937) 5.952 4.337 ( 5.680 -3.153 -3.733) 7.493 4.577 ( -13.815 -9.447 1.359) 16.791 4.622 ( -12.361 -6.738 2.549) 14.308 4.992 ( 9.298 -5.298 0.204) 10.703 5.148 ( -3.045 -8.484 -0.623) 9.036 5.218 ( 4.307 -7.361 -2.432) 8.869 5.386 ( -3.464 -3.550 -1.060) 5.072 5.654 ( 4.139 2.871 3.756) 6.283 5.710 ( 3.634 -9.190 0.244) 9.885 5.909 ( -1.969 -6.272 -0.578) 6.600 6.405 ( -4.472 10.451 2.064) 11.554 6.490 ( 0.729 14.829 -0.751) 14.866 6.641 ( 0.983 1.316 -2.052) 2.629 6.882 ( -2.813 5.298 -0.496) 6.019 7.052 ( 0.842 7.493 0.390) 7.550 7.157 ( -2.878 4.508 -0.935) 5.429 7.190 ( -2.831 2.425 1.422) 3.989 7.351 ( 0.274 1.823 0.934) 2.066 7.424 ( 2.739 6.684 -0.627) 7.251 7.466 ( 3.458 4.948 0.496) 6.057 7.499 ( -0.668 0.187 -1.024) 1.237 7.692 ( -7.448 -5.208 2.842) 9.522 7.723 ( 0.997 -8.985 -3.070) 9.548 7.831 ( -1.322 -3.308 0.405) 3.585 7.880 ( -9.535 5.336 -0.815) 10.957 8.011 ( -0.247 -6.888 1.152) 6.988 8.122 ( 5.492 -8.674 -0.605) 10.285 8.379 ( 3.883 -5.741 -0.072) 6.931 9.393 ( 1.145 2.593 1.492) 3.203 9.467 ( 4.519 -1.353 -1.518) 4.956 9.543 ( -3.412 -0.422 0.624) 3.494 9.644 ( -1.584 0.159 -0.450) 1.654 9.688 ( 3.411 -0.342 -0.854) 3.533 9.778 ( -0.097 -6.389 0.843) 6.445 10.362 ( -5.030 14.676 -0.054) 15.514 10.399 ( -6.275 10.849 0.158) 12.534 10.890 ( 4.134 -1.825 -0.347) 4.532 10.966 ( 5.376 -4.176 0.278) 6.813 11.234 ( 0.950 1.363 -0.254) 1.680 11.343 ( -0.547 2.084 0.274) 2.171 11.932 ( -0.769 3.543 -0.087) 3.626 12.034 ( -0.667 0.613 -0.053) 0.907 12.135 ( -2.593 2.328 0.131) 3.487 12.309 ( 3.399 -4.351 0.386) 5.535 12.410 ( 1.274 -0.364 -5.002) 5.174 12.445 ( 1.885 -5.161 5.505) 7.778 12.920 ( 7.093 0.264 -3.222) 7.795 13.017 ( -2.703 7.834 1.151) 8.367 13.234 ( 1.887 -3.916 1.527) 4.608 13.390 ( -0.199 1.260 -0.400) 1.337 13.432 ( -3.632 -2.611 -0.616) 4.515 13.483 ( -3.134 1.896 0.938) 3.781 13.938 ( 7.415 9.249 0.327) 11.859 14.024 ( 3.779 6.348 0.070) 7.388 14.381 ( -2.244 -4.302 0.221) 4.857 14.470 ( 1.503 -4.437 -0.409) 4.703 14.541 ( -2.090 -6.306 -1.040) 6.724 14.651 ( -4.054 -4.162 0.965) 5.890 15.194 ( 0.143 -3.564 -0.648) 3.625 15.804 ( -1.912 3.410 0.146) 3.912 17.016 ( 1.151 -4.105 0.182) 4.267 17.395 ( -1.006 2.639 -0.281) 2.838 17.597 ( -1.996 6.577 -0.283) 6.879 17.671 ( 4.230 7.144 2.305) 8.616 17.895 ( -3.593 6.341 -1.434) 7.428 17.908 ( 4.502 7.578 -0.374) 8.822 18.107 ( 1.501 -4.530 -1.699) 5.065 18.157 ( -3.377 -4.927 0.285) 5.980 18.320 ( 1.152 -2.066 0.978) 2.560 18.363 ( -2.149 -2.976 0.912) 3.782 18.486 ( 0.612 -5.466 0.259) 5.506 18.530 ( -1.921 -3.250 -0.692) 3.838 20.528 ( 0.565 3.382 0.261) 3.439 20.587 ( -0.080 1.801 -0.277) 1.824 20.719 ( -0.421 -2.705 -0.243) 2.749 20.744 ( 0.647 -2.611 0.243) 2.701 ======================= Grid point 37 (15/42) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.654 ( 10.287 17.818 0.000) 20.575 2.850 ( 2.163 3.746 0.000) 4.325 2.877 ( 1.024 1.773 0.000) 2.047 2.969 ( 8.395 14.541 0.000) 16.790 3.101 ( 6.813 11.800 0.000) 13.625 3.155 ( 6.355 11.007 0.000) 12.710 3.316 ( -6.336 -10.974 0.000) 12.672 3.421 ( 1.606 2.781 0.000) 3.212 3.441 ( 1.038 1.798 0.000) 2.076 3.592 ( -2.315 -4.009 0.000) 4.629 3.813 ( -8.676 -15.027 0.000) 17.352 3.833 ( -6.584 -11.403 0.000) 13.167 4.090 ( 4.978 8.622 0.000) 9.955 4.161 ( 2.346 4.064 0.000) 4.692 4.258 ( -1.268 -2.196 0.000) 2.536 4.655 ( -5.697 -9.867 0.000) 11.393 4.815 ( -8.763 -15.178 0.000) 17.526 4.881 ( -7.875 -13.640 0.000) 15.750 4.894 ( -2.645 -4.580 0.000) 5.289 5.252 ( 3.409 5.905 0.000) 6.818 5.459 ( -3.280 -5.682 0.000) 6.561 5.578 ( -3.406 -5.899 0.000) 6.811 5.621 ( 2.114 3.662 0.000) 4.228 5.914 ( -4.133 -7.159 0.000) 8.267 6.497 ( 2.583 4.474 0.000) 5.166 6.554 ( 9.372 16.232 0.000) 18.743 6.638 ( 1.906 3.301 0.000) 3.812 6.967 ( 2.441 4.227 0.000) 4.881 7.045 ( 2.207 3.823 0.000) 4.415 7.163 ( -1.121 -1.942 0.000) 2.243 7.321 ( 6.374 11.040 0.000) 12.748 7.333 ( 1.052 1.822 0.000) 2.104 7.375 ( 3.799 6.580 0.000) 7.598 7.512 ( -2.809 -4.866 0.000) 5.618 7.524 ( 0.955 1.654 0.000) 1.910 7.673 ( -1.019 -1.765 0.000) 2.038 7.691 ( -2.298 -3.980 0.000) 4.596 7.887 ( -6.227 -10.785 0.000) 12.453 7.956 ( -2.367 -4.100 0.000) 4.735 7.957 ( -2.139 -3.705 0.000) 4.278 8.094 ( -2.181 -3.777 0.000) 4.361 8.254 ( -2.277 -3.945 0.000) 4.555 9.398 ( -0.135 -0.233 0.000) 0.269 9.415 ( 2.926 5.068 0.000) 5.852 9.599 ( -0.301 -0.521 0.000) 0.602 9.632 ( 0.390 0.675 0.000) 0.780 9.666 ( -0.798 -1.383 0.000) 1.597 9.743 ( -2.748 -4.760 0.000) 5.496 10.511 ( 4.260 7.378 0.000) 8.520 10.520 ( 5.174 8.962 0.000) 10.349 10.830 ( -0.050 -0.087 0.000) 0.100 10.869 ( 0.307 0.532 0.000) 0.614 11.234 ( -0.605 -1.047 0.000) 1.210 11.350 ( 1.602 2.776 0.000) 3.205 11.985 ( 1.930 3.343 0.000) 3.860 12.025 ( 0.664 1.150 0.000) 1.327 12.181 ( 0.259 0.449 0.000) 0.519 12.273 ( -0.607 -1.051 0.000) 1.214 12.318 ( -1.580 -2.736 0.000) 3.159 12.451 ( -1.313 -2.274 0.000) 2.626 12.853 ( 4.144 7.177 0.000) 8.287 13.094 ( 3.306 5.726 0.000) 6.611 13.182 ( -2.783 -4.821 0.000) 5.567 13.396 ( -0.151 -0.262 0.000) 0.303 13.450 ( -2.664 -4.615 0.000) 5.329 13.523 ( -0.084 -0.146 0.000) 0.169 13.916 ( 7.660 13.268 0.000) 15.321 14.021 ( 6.143 10.640 0.000) 12.285 14.384 ( -0.336 -0.582 0.000) 0.672 14.436 ( -5.502 -9.530 0.000) 11.005 14.520 ( -3.472 -6.014 0.000) 6.945 14.668 ( -4.116 -7.130 0.000) 8.232 15.173 ( -1.601 -2.772 0.000) 3.201 15.839 ( 0.943 1.634 0.000) 1.887 16.986 ( -1.480 -2.564 0.000) 2.960 17.419 ( 0.712 1.233 0.000) 1.424 17.653 ( 3.123 5.410 0.000) 6.247 17.667 ( 4.973 8.614 0.000) 9.947 17.892 ( 6.000 10.392 0.000) 12.000 17.980 ( 3.585 6.210 0.000) 7.171 18.066 ( -2.990 -5.179 0.000) 5.980 18.181 ( -4.721 -8.177 0.000) 9.442 18.272 ( -0.099 -0.171 0.000) 0.197 18.367 ( -2.915 -5.048 0.000) 5.829 18.453 ( -2.799 -4.848 0.000) 5.598 18.534 ( -2.248 -3.893 0.000) 4.495 20.541 ( 2.228 3.859 0.000) 4.456 20.600 ( 1.199 2.077 0.000) 2.399 20.708 ( -1.831 -3.171 0.000) 3.662 20.722 ( -1.372 -2.376 0.000) 2.744 ======================= Grid point 38 (16/42) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.865 ( -1.320 2.286 0.000) 2.640 2.885 ( -0.240 0.415 -0.000) 0.479 2.931 ( -4.124 7.142 -0.000) 8.247 3.061 ( -4.188 7.254 -0.000) 8.376 3.206 ( 3.095 -5.361 0.000) 6.190 3.257 ( -6.338 10.977 -0.000) 12.675 3.279 ( -3.780 6.547 -0.000) 7.560 3.446 ( -2.691 4.662 0.000) 5.383 3.529 ( 3.476 -6.021 0.000) 6.953 3.561 ( 4.285 -7.422 -0.000) 8.570 3.600 ( 2.812 -4.872 -0.000) 5.625 3.613 ( 3.308 -5.729 0.000) 6.616 4.206 ( -0.300 0.520 -0.000) 0.600 4.308 ( -0.609 1.049 0.000) 1.213 4.308 ( -1.901 3.298 -0.000) 3.806 4.453 ( 1.106 -1.915 0.000) 2.212 4.500 ( 2.457 -4.255 -0.000) 4.913 4.790 ( 5.103 -8.838 -0.000) 10.206 4.872 ( 6.388 -11.064 0.000) 12.776 5.332 ( -4.333 7.506 0.000) 8.667 5.395 ( -1.840 3.187 -0.000) 3.680 5.518 ( 4.589 -7.948 -0.000) 9.178 5.707 ( 0.199 -0.345 0.000) 0.398 5.779 ( 2.649 -4.587 -0.000) 5.297 6.538 ( -1.889 3.273 -0.000) 3.779 6.683 ( -1.249 2.163 0.000) 2.498 6.765 ( -5.585 9.673 0.000) 11.169 6.992 ( -3.642 6.308 -0.000) 7.284 7.103 ( 1.111 -1.925 0.000) 2.222 7.116 ( 1.885 -3.264 -0.000) 3.769 7.333 ( -3.219 5.576 -0.000) 6.439 7.439 ( 2.511 -4.349 0.000) 5.022 7.456 ( -5.034 8.719 0.000) 10.068 7.519 ( -1.903 3.297 -0.000) 3.807 7.571 ( 0.550 -0.952 0.000) 1.099 7.616 ( -1.157 2.003 -0.000) 2.313 7.648 ( 0.218 -0.378 0.000) 0.436 7.730 ( 3.756 -6.506 0.000) 7.513 7.890 ( 1.481 -2.565 0.000) 2.961 7.949 ( 4.525 -7.837 0.000) 9.050 8.023 ( -4.589 7.949 0.000) 9.178 8.225 ( 5.332 -9.235 -0.000) 10.664 9.394 ( 0.617 -1.069 0.000) 1.234 9.503 ( -1.658 2.872 -0.000) 3.316 9.547 ( -0.839 1.453 0.000) 1.678 9.649 ( 1.083 -1.876 0.000) 2.166 9.666 ( 1.202 -2.082 0.000) 2.404 9.684 ( 0.645 -1.117 -0.000) 1.290 10.598 ( -5.396 9.346 0.000) 10.792 10.621 ( -6.057 10.491 -0.000) 12.114 10.816 ( 3.024 -5.237 -0.000) 6.047 10.864 ( 3.759 -6.511 -0.000) 7.518 11.222 ( 0.563 -0.976 0.000) 1.127 11.378 ( -0.625 1.083 -0.000) 1.251 12.013 ( -2.301 3.985 0.000) 4.601 12.052 ( -0.207 0.358 -0.000) 0.413 12.192 ( -2.014 3.489 0.000) 4.029 12.240 ( 1.227 -2.124 0.000) 2.453 12.305 ( 3.618 -6.267 -0.000) 7.236 12.423 ( 0.205 -0.356 0.000) 0.411 12.960 ( -2.050 3.550 0.000) 4.099 13.091 ( 1.633 -2.828 -0.000) 3.265 13.162 ( -0.084 0.146 -0.000) 0.169 13.389 ( 0.448 -0.776 -0.000) 0.896 13.391 ( 0.505 -0.875 0.000) 1.010 13.529 ( -0.884 1.531 0.000) 1.768 14.102 ( -3.838 6.648 0.000) 7.676 14.160 ( -4.253 7.367 0.000) 8.506 14.291 ( 2.589 -4.484 -0.000) 5.178 14.379 ( 4.158 -7.202 -0.000) 8.316 14.424 ( 1.423 -2.464 -0.000) 2.845 14.600 ( 0.652 -1.129 -0.000) 1.304 15.147 ( 0.724 -1.255 0.000) 1.449 15.857 ( -0.933 1.615 0.000) 1.865 16.960 ( 0.873 -1.511 -0.000) 1.745 17.430 ( -0.546 0.946 0.000) 1.092 17.721 ( -3.159 5.471 0.000) 6.318 17.774 ( -1.381 2.392 -0.000) 2.762 17.990 ( 0.616 -1.067 -0.000) 1.232 17.999 ( -1.468 2.543 0.000) 2.937 18.049 ( -1.123 1.945 -0.000) 2.245 18.098 ( 0.582 -1.007 -0.000) 1.163 18.284 ( 0.457 -0.792 0.000) 0.914 18.314 ( 1.340 -2.321 0.000) 2.680 18.373 ( 2.672 -4.629 0.000) 5.345 18.497 ( 0.392 -0.679 0.000) 0.784 20.591 ( -1.655 2.866 0.000) 3.309 20.628 ( -1.281 2.218 -0.000) 2.561 20.665 ( 1.534 -2.657 -0.000) 3.069 20.691 ( 1.508 -2.611 0.000) 3.015 ======================= Grid point 133 (17/42) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 0.000 0.000 30.455) 30.455 0.698 ( 0.000 -0.000 30.455) 30.455 1.353 ( 0.000 0.000 57.082) 57.082 1.393 ( 0.000 -0.000 -30.036) 30.036 1.393 ( 0.000 -0.000 -30.036) 30.036 2.565 ( 0.000 0.000 -47.367) 47.367 2.721 ( 0.000 -0.000 25.941) 25.941 2.721 ( 0.000 0.000 25.941) 25.941 3.245 ( 0.000 0.000 -18.511) 18.511 3.245 ( 0.000 -0.000 -18.511) 18.511 3.862 ( 0.000 0.000 8.953) 8.953 3.975 ( 0.000 -0.000 -2.395) 2.395 4.815 ( 0.000 0.000 4.900) 4.900 4.958 ( 0.000 0.000 -6.935) 6.935 5.162 ( 0.000 0.000 12.186) 12.186 5.162 ( 0.000 0.000 12.186) 12.186 5.462 ( 0.000 0.000 -12.366) 12.366 5.462 ( 0.000 0.000 -12.366) 12.366 5.586 ( 0.000 0.000 7.860) 7.860 5.751 ( 0.000 0.000 -5.706) 5.706 5.805 ( 0.000 -0.000 22.257) 22.257 6.099 ( 0.000 0.000 5.695) 5.695 6.099 ( 0.000 0.000 5.695) 5.695 6.206 ( 0.000 0.000 -3.388) 3.388 6.206 ( 0.000 0.000 -3.388) 3.388 6.357 ( 0.000 0.000 -22.777) 22.777 6.920 ( 0.000 -0.000 7.558) 7.558 6.920 ( -0.000 0.000 7.558) 7.558 7.122 ( 0.000 0.000 -8.617) 8.617 7.122 ( 0.000 -0.000 -8.617) 8.617 7.693 ( 0.000 0.000 0.887) 0.887 7.693 ( -0.000 -0.000 0.887) 0.887 7.719 ( 0.000 0.000 -1.360) 1.360 7.719 ( 0.000 0.000 -1.360) 1.360 7.787 ( 0.000 -0.000 12.843) 12.843 7.889 ( 0.000 -0.000 3.980) 3.980 7.889 ( 0.000 0.000 3.980) 3.980 7.963 ( 0.000 0.000 -2.182) 2.182 7.963 ( 0.000 -0.000 -2.182) 2.182 8.039 ( 0.000 0.000 -8.056) 8.056 9.448 ( 0.000 0.000 2.992) 2.992 9.448 ( 0.000 0.000 2.992) 2.992 9.538 ( 0.000 -0.000 -4.372) 4.372 9.538 ( 0.000 0.000 -4.372) 4.372 9.649 ( 0.000 0.000 1.792) 1.792 9.696 ( 0.000 -0.000 -1.994) 1.994 9.900 ( 0.000 0.000 5.245) 5.245 9.900 ( 0.000 -0.000 5.245) 5.245 10.009 ( -0.000 -0.000 -3.718) 3.718 10.009 ( 0.000 0.000 -3.718) 3.718 10.132 ( 0.000 0.000 1.197) 1.197 10.159 ( 0.000 -0.000 -0.999) 0.999 10.331 ( 0.000 -0.000 0.031) 0.031 10.332 ( 0.000 0.000 -0.106) 0.106 11.767 ( 0.000 0.000 5.747) 5.747 11.767 ( 0.000 -0.000 5.747) 5.747 11.945 ( 0.000 -0.000 -9.166) 9.166 11.945 ( 0.000 0.000 -9.166) 9.166 12.283 ( -0.000 0.000 3.987) 3.987 12.283 ( 0.000 -0.000 3.987) 3.987 12.343 ( 0.000 -0.000 -1.381) 1.381 12.343 ( 0.000 0.000 -1.381) 1.381 12.598 ( 0.000 -0.000 0.035) 0.035 12.599 ( 0.000 0.000 -0.028) 0.028 13.142 ( 0.000 -0.000 2.068) 2.068 13.142 ( 0.000 0.000 2.068) 2.068 13.186 ( 0.000 -0.000 -1.369) 1.369 13.186 ( 0.000 0.000 -1.369) 1.369 15.516 ( 0.000 -0.000 5.483) 5.483 15.516 ( 0.000 -0.000 5.483) 5.483 15.667 ( 0.000 -0.000 -6.584) 6.584 15.667 ( -0.000 0.000 -6.584) 6.584 15.816 ( 0.000 0.000 0.700) 0.700 15.839 ( 0.000 -0.000 -1.138) 1.138 16.309 ( 0.000 0.000 3.655) 3.655 16.395 ( 0.000 -0.000 -3.189) 3.189 17.128 ( 0.000 -0.000 6.965) 6.965 17.128 ( 0.000 0.000 6.965) 6.965 17.292 ( 0.000 -0.000 -6.144) 6.144 17.292 ( 0.000 0.000 -6.144) 6.144 18.679 ( 0.000 0.000 2.105) 2.105 18.679 ( 0.000 0.000 2.105) 2.105 18.729 ( 0.000 0.000 -1.871) 1.871 18.729 ( 0.000 0.000 -1.871) 1.871 19.165 ( 0.000 0.000 0.130) 0.130 19.169 ( 0.000 0.000 -0.216) 0.216 19.615 ( 0.000 0.000 1.954) 1.954 19.664 ( 0.000 -0.000 -1.879) 1.879 21.157 ( 0.000 -0.000 0.857) 0.857 21.179 ( 0.000 0.000 -0.861) 0.861 ======================= Grid point 134 (18/42) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 18.566 10.719 23.632) 31.907 1.058 ( 22.221 12.829 22.091) 33.858 1.429 ( 7.963 4.597 -24.755) 26.407 1.648 ( 26.693 15.411 38.970) 49.686 1.668 ( 17.268 9.970 -25.165) 32.107 2.670 ( 10.130 5.849 -41.079) 42.712 2.708 ( 3.199 1.847 22.677) 22.976 2.836 ( 6.042 3.489 24.262) 25.245 3.168 ( -3.112 -1.796 -19.059) 19.395 3.297 ( 0.853 0.493 -13.201) 13.238 3.819 ( -3.720 -2.148 8.288) 9.335 3.960 ( -1.062 -0.613 -5.251) 5.392 4.769 ( -3.634 -2.098 5.619) 7.013 4.922 ( -3.126 -1.805 -7.651) 8.460 5.034 ( -8.101 -4.677 10.474) 14.043 5.198 ( -0.295 -0.170 12.203) 12.208 5.334 ( -7.991 -4.613 -12.447) 15.494 5.420 ( -6.129 -3.539 -7.604) 10.388 5.627 ( 2.932 1.693 5.573) 6.521 5.758 ( 0.243 0.140 -5.996) 6.003 5.800 ( -0.257 -0.148 20.242) 20.245 6.079 ( -1.394 -0.805 0.362) 1.650 6.127 ( 1.278 0.738 7.026) 7.179 6.184 ( -0.498 -0.288 -3.964) 4.005 6.277 ( 3.627 2.094 -2.956) 5.127 6.376 ( 1.586 0.915 -14.393) 14.509 6.790 ( -6.292 -3.633 1.966) 7.527 6.913 ( -9.721 -5.612 -5.806) 12.637 6.944 ( -4.198 -2.424 4.272) 6.461 7.086 ( -9.407 -5.431 -2.235) 11.089 7.569 ( -4.561 -2.633 -0.819) 5.330 7.603 ( -4.697 -2.712 1.575) 5.648 7.630 ( -6.517 -3.763 0.846) 7.573 7.651 ( -8.685 -5.014 -1.867) 10.201 7.762 ( -0.022 -0.013 3.910) 3.910 7.889 ( -1.506 -0.870 0.234) 1.755 7.968 ( 5.127 2.960 4.317) 7.327 8.045 ( 6.102 3.523 -0.105) 7.047 8.055 ( 5.115 2.953 -0.351) 5.917 8.175 ( 8.511 4.914 -3.714) 10.505 8.593 ( -39.609 -22.868 43.216) 62.924 9.133 ( -26.363 -15.221 -12.887) 33.057 9.364 ( -9.370 -5.410 1.022) 10.868 9.474 ( -1.449 -0.837 4.176) 4.499 9.511 ( -3.756 -2.168 -1.991) 4.772 9.570 ( -1.093 -0.631 -2.840) 3.108 9.836 ( -0.995 -0.574 0.549) 1.273 9.952 ( -1.036 -0.598 -1.014) 1.569 9.997 ( 8.061 4.654 -0.899) 9.352 10.111 ( 12.316 7.111 2.422) 14.426 10.224 ( 3.035 1.752 1.067) 3.663 10.243 ( 0.475 0.274 -1.162) 1.285 10.674 ( 17.523 10.117 3.420) 20.520 10.737 ( 10.639 6.142 -6.753) 14.018 11.781 ( 0.859 0.496 5.300) 5.392 11.890 ( 3.936 2.272 -1.421) 4.762 12.030 ( 6.919 3.995 -5.975) 9.977 12.046 ( 6.950 4.012 -7.707) 11.126 12.306 ( 4.720 2.725 3.289) 6.365 12.400 ( 6.897 3.982 -2.962) 8.496 12.404 ( 5.432 3.136 4.209) 7.554 12.484 ( 8.262 4.770 3.845) 10.286 12.544 ( -2.967 -1.713 0.194) 3.431 12.556 ( -0.520 -0.300 -1.889) 1.982 13.110 ( -0.323 -0.186 0.009) 0.373 13.245 ( 3.319 1.916 0.210) 3.839 13.310 ( 10.961 6.329 5.457) 13.783 13.413 ( 14.624 8.443 -16.789) 23.812 15.091 ( -24.081 -13.903 18.869) 33.604 15.327 ( -11.806 -6.816 -0.378) 13.638 15.395 ( -8.679 -5.011 2.851) 10.420 15.632 ( -4.643 -2.681 -7.500) 9.219 15.932 ( -0.410 -0.237 5.012) 5.034 16.032 ( -5.989 -3.458 -3.460) 7.733 16.195 ( 5.138 2.966 8.489) 10.356 16.577 ( 15.386 8.883 -23.182) 29.207 17.156 ( 0.746 0.431 1.911) 2.096 17.229 ( 4.763 2.750 6.129) 8.235 17.316 ( 4.982 2.876 -3.511) 6.739 17.400 ( 4.200 2.425 -1.409) 5.050 18.540 ( -6.598 -3.809 5.730) 9.533 18.653 ( -3.716 -2.145 0.293) 4.300 18.691 ( -1.691 -0.976 -0.185) 1.961 18.697 ( -2.117 -1.222 -2.633) 3.593 19.103 ( -5.319 -3.071 0.413) 6.156 19.112 ( -4.990 -2.881 -0.454) 5.780 19.828 ( 12.230 7.061 1.342) 14.186 19.938 ( 17.508 10.108 -11.955) 23.487 21.055 ( -6.483 -3.743 4.866) 8.928 21.116 ( -5.132 -2.963 -1.607) 6.139 ======================= Grid point 135 (19/42) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( 21.801 12.587 16.330) 30.006 1.481 ( 17.979 10.380 21.169) 29.650 1.688 ( 14.044 8.108 -16.657) 23.247 2.024 ( 13.754 7.941 -22.285) 27.365 2.451 ( 40.245 23.236 14.507) 48.683 2.844 ( 8.292 4.787 11.898) 15.272 2.976 ( 6.222 3.592 20.314) 21.547 3.010 ( 16.861 9.735 -15.661) 24.987 3.137 ( 2.331 1.346 -19.899) 20.081 3.288 ( -1.029 -0.594 -4.816) 4.960 3.714 ( -4.815 -2.780 5.790) 8.028 3.929 ( -1.875 -1.083 -11.040) 11.250 4.675 ( -4.497 -2.597 6.447) 8.278 4.816 ( -10.971 -6.334 10.079) 16.189 4.833 ( -4.531 -2.616 -8.791) 10.230 5.127 ( -7.094 -4.096 4.548) 9.370 5.130 ( -9.911 -5.722 -9.942) 15.160 5.237 ( -8.639 -4.988 -1.840) 10.144 5.689 ( 2.362 1.364 8.353) 8.787 5.738 ( -2.536 -1.464 -6.359) 7.000 5.790 ( -1.569 -0.906 13.397) 13.519 6.020 ( -4.089 -2.361 -5.105) 6.953 6.120 ( -2.118 -1.223 7.253) 7.654 6.179 ( -0.796 -0.460 0.223) 0.946 6.309 ( -1.378 -0.795 -5.638) 5.858 6.331 ( -8.777 -5.067 -2.444) 10.425 6.673 ( -2.454 -1.417 -3.873) 4.799 6.750 ( -9.359 -5.404 2.496) 11.092 6.797 ( -0.735 -0.424 2.764) 2.892 6.906 ( -2.616 -1.511 -3.947) 4.971 7.399 ( -11.710 -6.761 -6.082) 14.827 7.488 ( -6.329 -3.654 4.378) 8.519 7.495 ( -4.217 -2.434 2.529) 5.487 7.508 ( -2.583 -1.491 -1.244) 3.232 7.783 ( 1.393 0.804 -2.036) 2.595 7.828 ( -4.509 -2.604 3.090) 6.055 8.022 ( -5.553 -3.206 14.951) 16.268 8.110 ( 0.141 0.081 -1.865) 1.872 8.136 ( 1.695 0.979 1.075) 2.233 8.161 ( 0.256 0.148 19.663) 19.666 8.363 ( 7.150 4.128 -1.363) 8.368 8.585 ( -20.480 -11.824 -17.479) 29.406 9.263 ( -0.526 -0.304 1.285) 1.422 9.377 ( -3.325 -1.919 -0.992) 3.965 9.528 ( 1.870 1.079 2.577) 3.362 9.578 ( 0.964 0.556 -2.646) 2.870 9.823 ( -0.019 -0.011 -0.647) 0.648 9.898 ( -3.351 -1.935 1.777) 4.258 10.104 ( 1.424 0.822 0.153) 1.652 10.177 ( -2.486 -1.435 -0.949) 3.023 10.399 ( 11.678 6.743 -0.772) 13.507 10.460 ( 14.303 8.258 1.209) 16.560 10.899 ( 5.801 3.349 -2.681) 7.215 10.954 ( 8.812 5.088 2.130) 10.396 11.804 ( 1.426 0.823 4.594) 4.880 11.957 ( 2.728 1.575 -5.139) 6.028 12.160 ( 2.853 1.647 -3.724) 4.972 12.193 ( 7.414 4.281 -1.087) 8.630 12.370 ( -1.177 -0.680 0.663) 1.512 12.424 ( -2.618 -1.511 -1.788) 3.512 12.584 ( 5.974 3.449 7.663) 10.310 12.588 ( 10.608 6.124 -2.057) 12.420 12.644 ( 11.571 6.681 -4.480) 14.092 12.726 ( 8.500 4.907 8.671) 13.097 13.155 ( 5.339 3.082 -3.964) 7.330 13.339 ( 5.386 3.110 2.145) 6.579 13.557 ( 9.815 5.667 8.050) 13.901 13.644 ( 5.725 3.305 -15.543) 16.891 14.716 ( -10.862 -6.271 14.586) 19.237 15.063 ( -12.046 -6.955 -6.811) 15.487 15.174 ( -10.600 -6.120 0.410) 12.246 15.403 ( -15.974 -9.222 -9.915) 20.941 15.712 ( -10.290 -5.941 8.947) 14.873 15.889 ( -3.021 -1.744 1.680) 3.872 16.605 ( 20.787 12.001 5.071) 24.533 16.902 ( 13.706 7.913 -18.431) 24.293 17.151 ( -0.316 -0.183 -2.399) 2.427 17.340 ( 5.335 3.080 4.328) 7.529 17.426 ( 3.813 2.202 0.009) 4.403 17.444 ( 0.546 0.315 4.983) 5.023 18.420 ( -5.062 -2.923 3.033) 6.586 18.558 ( -4.179 -2.413 -0.895) 4.908 18.635 ( -3.466 -2.001 -3.509) 5.323 18.659 ( -1.500 -0.866 2.125) 2.741 18.951 ( -7.568 -4.369 1.128) 8.811 18.960 ( -8.302 -4.793 -1.172) 9.658 20.106 ( 11.505 6.643 3.902) 13.846 20.229 ( 9.239 5.334 -9.937) 14.579 20.936 ( -4.035 -2.329 4.152) 6.240 20.985 ( -5.943 -3.431 -2.078) 7.170 ======================= Grid point 136 (20/42) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( 19.042 10.994 16.128) 27.269 1.912 ( 20.390 11.772 11.786) 26.330 2.020 ( 15.484 8.939 -12.181) 21.634 2.298 ( 11.479 6.627 -19.444) 23.532 2.987 ( 3.322 1.918 5.405) 6.628 3.086 ( 4.931 2.847 14.721) 15.784 3.205 ( 6.838 3.948 -9.616) 12.443 3.250 ( 11.702 6.756 -1.151) 13.561 3.331 ( 20.430 11.795 3.986) 23.925 3.378 ( 9.578 5.530 0.860) 11.093 3.689 ( 4.854 2.803 -1.021) 5.697 3.880 ( -1.564 -0.903 -12.992) 13.117 4.549 ( -9.696 -5.598 7.060) 13.237 4.597 ( -5.143 -2.969 11.638) 13.066 4.677 ( -11.915 -6.879 -4.379) 14.439 4.913 ( -8.952 -5.168 -5.813) 11.859 4.951 ( -4.173 -2.409 -12.730) 13.612 5.064 ( -7.926 -4.576 4.971) 10.415 5.630 ( -7.253 -4.187 -4.684) 9.595 5.641 ( -8.568 -4.947 8.602) 13.110 5.765 ( 1.980 1.143 3.357) 4.061 5.863 ( -11.765 -6.793 -3.944) 14.146 6.039 ( -11.038 -6.373 -1.415) 12.824 6.100 ( 0.123 0.071 9.222) 9.223 6.128 ( -3.626 -2.093 4.915) 6.456 6.235 ( -3.361 -1.940 -9.009) 9.809 6.678 ( 1.798 1.038 4.997) 5.412 6.681 ( 0.917 0.530 -5.750) 5.847 6.819 ( 1.324 0.764 6.018) 6.209 6.925 ( 2.069 1.194 -5.771) 6.246 7.193 ( -4.767 -2.753 -3.800) 6.689 7.372 ( -3.980 -2.298 5.717) 7.335 7.408 ( -3.310 -1.911 4.398) 5.827 7.489 ( 1.373 0.793 -5.647) 5.866 7.685 ( -7.842 -4.528 6.252) 11.004 7.791 ( -1.512 -0.873 -1.954) 2.621 7.896 ( -4.295 -2.480 4.321) 6.578 8.065 ( -5.643 -3.258 5.373) 8.446 8.076 ( -3.221 -1.860 -3.943) 5.421 8.222 ( -12.528 -7.233 -13.112) 19.524 8.293 ( 5.937 3.428 7.732) 10.334 8.468 ( 2.458 1.419 0.999) 3.009 9.312 ( 4.099 2.367 -2.076) 5.169 9.353 ( 0.997 0.575 0.143) 1.160 9.570 ( 1.495 0.863 3.160) 3.600 9.601 ( 0.910 0.525 -2.935) 3.117 9.821 ( -3.040 -1.755 1.573) 3.847 9.839 ( 1.433 0.828 -0.114) 1.659 10.107 ( -3.632 -2.097 -0.924) 4.295 10.111 ( -0.382 -0.221 0.157) 0.469 10.669 ( 11.722 6.768 0.153) 13.536 10.755 ( 11.798 6.811 0.074) 13.623 11.015 ( 4.619 2.667 -1.268) 5.482 11.110 ( 5.654 3.264 1.006) 6.605 11.848 ( 2.516 1.453 4.613) 5.452 12.014 ( 2.219 1.281 -5.859) 6.395 12.157 ( -2.791 -1.611 -0.330) 3.240 12.285 ( -1.321 -0.763 -2.834) 3.218 12.385 ( 3.431 1.981 0.744) 4.031 12.436 ( 6.113 3.529 -3.234) 7.764 12.714 ( 4.722 2.726 12.989) 14.087 12.828 ( 9.656 5.575 -6.790) 13.055 12.864 ( 5.035 2.907 8.749) 10.504 12.911 ( 11.328 6.540 -5.838) 14.324 13.365 ( 12.592 7.270 -4.729) 15.290 13.498 ( 8.992 5.191 3.984) 11.121 13.686 ( -1.307 -0.755 -8.197) 8.335 13.699 ( 2.188 1.263 5.997) 6.507 14.563 ( -3.655 -2.110 5.897) 7.251 14.796 ( -11.087 -6.401 -9.566) 15.982 14.941 ( -10.079 -5.819 -1.298) 11.710 15.056 ( -13.623 -7.865 0.519) 15.739 15.540 ( -6.451 -3.725 7.762) 10.758 15.806 ( -4.277 -2.469 -1.540) 5.173 17.045 ( 17.664 10.198 1.009) 20.422 17.160 ( 1.632 0.942 -4.586) 4.958 17.164 ( 8.742 5.047 -8.815) 13.401 17.441 ( 2.988 1.725 5.546) 6.532 17.488 ( 2.321 1.340 2.287) 3.523 17.492 ( 5.658 3.267 2.883) 7.141 18.291 ( -6.583 -3.801 -0.060) 7.601 18.471 ( -3.572 -2.063 0.142) 4.128 18.541 ( -4.881 -2.818 -2.434) 6.139 18.617 ( -2.660 -1.536 3.087) 4.355 18.762 ( -8.903 -5.140 -2.493) 10.579 18.796 ( -5.976 -3.450 1.283) 7.019 20.320 ( 7.669 4.428 3.848) 9.655 20.384 ( 5.188 2.995 -5.862) 8.381 20.867 ( -2.364 -1.365 1.960) 3.361 20.868 ( -4.433 -2.559 -1.494) 5.332 ======================= Grid point 137 (21/42) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 16.221 9.365 7.785) 20.284 2.310 ( 14.594 8.426 7.855) 18.593 2.371 ( 15.710 9.070 -7.305) 19.555 2.548 ( 10.908 6.298 -12.401) 17.676 3.030 ( 0.996 0.575 6.709) 6.807 3.148 ( 0.959 0.554 8.604) 8.675 3.238 ( -1.937 -1.118 -1.817) 2.882 3.331 ( 3.373 1.947 -0.529) 3.930 3.616 ( -2.522 -1.456 -6.545) 7.164 3.638 ( 13.627 7.867 -7.439) 17.405 3.832 ( 5.499 3.175 4.347) 7.695 3.998 ( 7.822 4.516 -4.724) 10.193 4.345 ( -15.170 -8.759 -4.290) 18.035 4.368 ( -3.471 -2.004 11.306) 11.995 4.506 ( -4.827 -2.787 8.105) 9.836 4.766 ( -3.623 -2.092 -1.422) 4.418 4.856 ( -7.881 -4.550 -0.459) 9.112 4.932 ( -3.522 -2.033 -8.586) 9.500 5.444 ( -8.293 -4.788 0.805) 9.610 5.482 ( -3.385 -1.954 3.149) 5.019 5.589 ( -7.344 -4.240 -1.845) 8.678 5.800 ( 0.383 0.221 2.543) 2.581 5.917 ( -2.130 -1.230 -3.176) 4.017 6.027 ( -5.464 -3.155 -5.849) 8.604 6.050 ( -2.898 -1.673 5.216) 6.197 6.248 ( 2.186 1.262 -2.477) 3.537 6.643 ( -2.418 -1.396 -1.833) 3.340 6.754 ( 3.594 2.075 4.180) 5.890 6.854 ( 1.960 1.131 3.197) 3.917 6.949 ( 0.110 0.063 -1.954) 1.958 7.220 ( 5.139 2.967 -0.538) 5.958 7.314 ( -0.733 -0.423 7.805) 7.851 7.340 ( -2.795 -1.614 2.772) 4.255 7.520 ( -5.951 -3.436 5.347) 8.707 7.569 ( 4.126 2.382 -3.199) 5.738 7.686 ( -6.470 -3.735 1.264) 7.577 7.845 ( -0.981 -0.566 -14.116) 14.161 7.909 ( -7.420 -4.284 6.425) 10.710 7.934 ( -8.548 -4.935 -7.893) 12.638 8.032 ( -5.870 -3.389 -3.063) 7.438 8.400 ( 3.727 2.152 6.223) 7.566 8.492 ( 0.215 0.124 2.631) 2.643 9.404 ( 3.045 1.758 2.583) 4.363 9.413 ( 4.569 2.638 -4.538) 6.959 9.570 ( -1.824 -1.053 3.763) 4.313 9.613 ( 0.054 0.031 -3.425) 3.425 9.791 ( 0.781 0.451 -0.148) 0.914 9.888 ( 2.881 1.663 1.257) 3.556 10.021 ( -4.022 -2.322 -0.862) 4.723 10.091 ( -1.346 -0.777 0.099) 1.558 10.899 ( 8.596 4.963 1.947) 10.115 10.976 ( 8.030 4.636 -1.281) 9.361 11.103 ( 3.314 1.913 -0.402) 3.847 11.208 ( 2.975 1.718 0.198) 3.441 11.911 ( 2.918 1.685 4.578) 5.684 12.044 ( 0.306 0.177 -4.197) 4.212 12.082 ( -3.276 -1.891 0.865) 3.880 12.233 ( -2.047 -1.182 -6.530) 6.944 12.491 ( 5.315 3.068 1.964) 6.444 12.597 ( 6.970 4.024 -3.458) 8.760 12.770 ( 0.694 0.401 13.780) 13.803 12.996 ( 5.222 3.015 -9.052) 10.876 13.002 ( 7.319 4.226 6.598) 10.721 13.125 ( 8.044 4.644 -4.496) 10.320 13.569 ( -2.941 -1.698 -1.216) 3.607 13.634 ( -5.710 -3.297 0.129) 6.595 13.702 ( 10.978 6.338 -4.946) 13.607 13.738 ( 10.252 5.919 4.956) 12.833 14.524 ( -0.389 -0.225 1.262) 1.340 14.611 ( -5.497 -3.174 -4.662) 7.875 14.733 ( -8.500 -4.908 -2.270) 10.075 14.793 ( -10.256 -5.921 2.570) 12.118 15.420 ( -3.998 -2.308 7.968) 9.209 15.709 ( -4.268 -2.464 -4.205) 6.478 17.192 ( 2.508 1.448 -2.210) 3.643 17.249 ( -0.107 -0.062 1.069) 1.076 17.364 ( 7.785 4.495 -5.937) 10.773 17.564 ( 7.409 4.278 5.795) 10.333 17.585 ( 8.141 4.700 4.360) 10.362 17.624 ( 4.750 2.742 -3.308) 6.405 18.150 ( -5.004 -2.889 -1.116) 5.885 18.402 ( -2.764 -1.596 1.566) 3.555 18.431 ( -4.588 -2.649 -0.075) 5.299 18.502 ( -7.741 -4.469 -0.604) 8.959 18.612 ( -4.054 -2.341 -0.223) 4.687 18.686 ( -4.098 -2.366 0.169) 4.735 20.450 ( 4.119 2.378 2.864) 5.552 20.474 ( 3.155 1.822 -3.440) 5.011 20.790 ( -2.495 -1.440 -0.485) 2.921 20.824 ( -1.616 -0.933 0.456) 1.921 ======================= Grid point 138 (22/42) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 4.969 2.869 4.954) 7.580 2.601 ( 10.431 6.022 -2.523) 12.306 2.660 ( 8.008 4.623 -1.005) 9.301 2.739 ( 4.801 2.772 -4.579) 7.191 3.028 ( -0.788 -0.455 9.759) 9.801 3.131 ( -1.994 -1.152 4.861) 5.379 3.227 ( 1.762 1.018 -4.839) 5.249 3.320 ( -5.882 -3.396 -5.271) 8.597 3.596 ( 5.154 2.976 0.083) 5.952 3.795 ( -2.915 -1.683 -5.161) 6.162 3.963 ( 4.667 2.694 5.587) 7.762 3.978 ( -5.628 -3.249 3.438) 7.352 4.162 ( 4.478 2.585 -11.301) 12.428 4.323 ( -8.668 -5.005 2.551) 10.329 4.427 ( 4.292 2.478 4.700) 6.830 4.688 ( -6.649 -3.839 -2.493) 8.072 4.721 ( -1.681 -0.971 5.350) 5.692 4.827 ( -4.066 -2.348 -2.121) 5.152 5.320 ( -1.483 -0.856 4.370) 4.694 5.457 ( -0.972 -0.561 -1.780) 2.104 5.619 ( 6.670 3.851 -1.793) 7.908 5.755 ( -4.668 -2.695 3.049) 6.193 5.898 ( -0.019 -0.011 -3.231) 3.231 5.920 ( -3.676 -2.122 -7.820) 8.898 6.014 ( -0.100 -0.058 6.003) 6.004 6.239 ( -2.260 -1.305 -8.048) 8.460 6.679 ( 5.202 3.003 4.467) 7.485 6.797 ( -0.010 -0.006 2.742) 2.742 6.885 ( 0.548 0.317 4.374) 4.420 6.942 ( -0.681 -0.393 -0.483) 0.923 7.283 ( -2.557 -1.476 3.552) 4.619 7.318 ( 5.147 2.972 -3.805) 7.057 7.373 ( 3.475 2.006 7.869) 8.833 7.445 ( -1.159 -0.669 2.124) 2.511 7.484 ( -5.752 -3.321 -0.486) 6.660 7.678 ( -1.663 -0.960 2.674) 3.292 7.774 ( -5.289 -3.054 -0.545) 6.132 7.798 ( 0.573 0.331 -3.840) 3.897 7.836 ( 0.121 0.070 -13.980) 13.981 7.900 ( -5.086 -2.937 -2.753) 6.486 8.463 ( 2.029 1.172 4.912) 5.443 8.491 ( -0.267 -0.154 2.804) 2.821 9.457 ( 0.232 0.134 5.293) 5.300 9.509 ( 4.112 2.374 -4.945) 6.855 9.513 ( -1.554 -0.897 1.661) 2.445 9.600 ( -1.293 -0.747 -3.364) 3.680 9.840 ( 2.999 1.732 -0.175) 3.467 9.930 ( -3.870 -2.234 -0.217) 4.474 9.960 ( 3.147 1.817 1.281) 3.853 10.050 ( -2.319 -1.339 -0.213) 2.686 11.031 ( 2.852 1.646 3.878) 5.088 11.109 ( 3.751 2.166 -2.679) 5.093 11.169 ( 2.730 1.576 -0.109) 3.154 11.231 ( -1.090 -0.629 -0.187) 1.273 11.965 ( 1.407 0.812 4.032) 4.347 12.032 ( -0.658 -0.380 1.857) 2.006 12.037 ( -0.417 -0.241 -2.279) 2.329 12.197 ( -1.548 -0.894 -8.716) 8.897 12.593 ( 3.221 1.860 3.256) 4.944 12.703 ( 1.175 0.678 -2.760) 3.075 12.787 ( 2.093 1.208 11.554) 11.804 13.059 ( 0.758 0.437 -9.909) 9.948 13.174 ( 7.850 4.532 4.876) 10.292 13.284 ( 6.400 3.695 -1.313) 7.506 13.425 ( -7.798 -4.502 0.957) 9.055 13.466 ( -7.641 -4.412 -3.135) 9.363 13.937 ( 5.266 3.041 2.796) 6.693 13.952 ( 8.304 4.795 -2.863) 10.007 14.512 ( -3.842 -2.218 0.722) 4.495 14.536 ( 1.596 0.921 0.387) 1.883 14.576 ( -4.962 -2.865 -2.600) 6.292 14.619 ( -4.507 -2.602 -0.475) 5.226 15.377 ( 0.325 0.187 9.071) 9.079 15.628 ( -2.781 -1.606 -6.656) 7.390 17.220 ( -1.827 -1.055 3.654) 4.219 17.252 ( 2.646 1.528 -2.953) 4.249 17.451 ( 2.302 1.329 0.791) 2.773 17.623 ( -3.759 -2.170 -4.494) 6.247 17.732 ( 5.388 3.111 4.179) 7.495 17.791 ( 7.413 4.280 -1.794) 8.745 18.119 ( 2.410 1.392 0.756) 2.884 18.299 ( -6.883 -3.974 -1.534) 8.094 18.357 ( -1.743 -1.006 0.930) 2.217 18.376 ( -2.427 -1.401 -0.225) 2.812 18.554 ( -0.953 -0.550 1.821) 2.128 18.612 ( -2.327 -1.344 -0.802) 2.804 20.504 ( 0.715 0.413 1.716) 1.905 20.528 ( 1.654 0.955 -2.084) 2.827 20.759 ( -0.282 -0.163 0.580) 0.665 20.794 ( -1.077 -0.622 -0.508) 1.343 ======================= Grid point 139 (23/42) ======================= q-point: (-0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -8.175 -4.720 3.391) 10.030 2.620 ( -11.296 -6.522 2.657) 13.311 2.707 ( -1.464 -0.845 -6.685) 6.895 2.725 ( -5.942 -3.431 -3.602) 7.749 3.057 ( 3.857 2.227 8.632) 9.714 3.074 ( -5.797 -3.347 7.795) 10.275 3.259 ( 4.803 2.773 -8.860) 10.452 3.291 ( 3.167 1.829 -1.439) 3.930 3.655 ( -6.856 -3.958 -4.984) 9.355 3.676 ( -5.175 -2.988 4.578) 7.527 3.952 ( 9.257 5.345 3.471) 11.239 4.021 ( 1.526 0.881 1.234) 2.151 4.133 ( -6.798 -3.925 -5.661) 9.678 4.409 ( 12.051 6.957 -6.166) 15.220 4.571 ( 5.937 3.428 6.951) 9.763 4.611 ( 1.125 0.650 -9.412) 9.501 4.713 ( 2.929 1.691 6.054) 6.935 4.754 ( -3.679 -2.124 4.125) 5.921 5.366 ( 4.022 2.322 5.700) 7.353 5.433 ( -0.503 -0.291 -4.701) 4.737 5.628 ( -4.467 -2.579 -1.002) 5.254 5.722 ( 2.221 1.283 2.104) 3.318 5.861 ( -1.818 -1.050 -3.274) 3.889 5.905 ( 0.509 0.294 -2.494) 2.563 6.048 ( 2.963 1.711 7.034) 7.822 6.207 ( -0.033 -0.019 -9.695) 9.695 6.763 ( -2.646 -1.527 -1.128) 3.257 6.802 ( 4.481 2.587 3.293) 6.133 6.879 ( -0.965 -0.557 5.894) 5.998 6.914 ( -1.613 -0.931 -0.088) 1.865 7.234 ( -1.458 -0.842 2.374) 2.911 7.361 ( -3.244 -1.873 -2.193) 4.340 7.427 ( 1.110 0.641 10.740) 10.816 7.449 ( 1.648 0.951 -0.572) 1.987 7.532 ( 11.191 6.461 -4.539) 13.697 7.601 ( -1.908 -1.102 -1.836) 2.868 7.632 ( -7.657 -4.421 7.481) 11.582 7.821 ( 0.292 0.168 -12.107) 12.112 7.897 ( 4.040 2.333 -0.903) 4.752 7.928 ( 7.244 4.182 -6.957) 10.880 8.480 ( -0.679 -0.392 2.143) 2.282 8.491 ( 0.481 0.278 4.354) 4.389 9.396 ( -3.698 -2.135 3.917) 5.795 9.529 ( 1.182 0.682 2.171) 2.564 9.551 ( -3.178 -1.835 -3.113) 4.813 9.598 ( 3.835 2.214 -4.155) 6.072 9.846 ( -3.405 -1.966 -0.847) 4.022 9.896 ( 1.083 0.625 1.996) 2.355 10.003 ( -0.981 -0.567 -1.907) 2.218 10.026 ( 2.641 1.525 1.899) 3.593 11.032 ( -2.411 -1.392 3.521) 4.489 11.121 ( -4.067 -2.348 -3.137) 5.647 11.176 ( -2.234 -1.290 -0.768) 2.692 11.209 ( 0.348 0.201 1.345) 1.404 11.963 ( -1.032 -0.596 3.510) 3.706 12.041 ( 0.807 0.466 -1.865) 2.085 12.059 ( 2.394 1.382 3.281) 4.290 12.157 ( -1.849 -1.068 -9.219) 9.463 12.610 ( -1.870 -1.080 3.772) 4.346 12.665 ( -3.695 -2.133 -0.497) 4.295 12.831 ( 0.501 0.289 8.011) 8.032 13.058 ( -0.143 -0.082 -10.292) 10.293 13.204 ( -8.213 -4.742 4.991) 10.716 13.319 ( -5.509 -3.180 -6.726) 9.257 13.393 ( 8.237 4.756 1.673) 9.657 13.413 ( 4.853 2.802 2.218) 6.026 13.888 ( -9.421 -5.439 2.058) 11.072 13.990 ( -5.023 -2.900 -1.536) 6.000 14.513 ( 4.078 2.354 1.613) 4.977 14.526 ( 0.188 0.109 -0.506) 0.551 14.578 ( 0.720 0.416 -2.471) 2.607 14.630 ( 7.014 4.049 -0.731) 8.132 15.432 ( 4.330 2.500 9.482) 10.719 15.594 ( -0.048 -0.027 -8.299) 8.300 17.180 ( -1.742 -1.006 3.081) 3.680 17.292 ( 0.501 0.289 -2.564) 2.628 17.488 ( -7.250 -4.186 -3.270) 8.987 17.503 ( 2.293 1.324 5.155) 5.795 17.776 ( -1.875 -1.083 0.324) 2.189 17.829 ( -4.622 -2.668 -3.321) 6.286 18.183 ( -2.626 -1.516 -4.206) 5.185 18.236 ( 7.676 4.432 3.325) 9.467 18.351 ( 0.944 0.545 1.650) 1.978 18.363 ( 1.748 1.009 0.196) 2.028 18.581 ( 3.118 1.800 1.840) 4.043 18.596 ( 0.943 0.544 -1.478) 1.835 20.486 ( -2.190 -1.264 1.225) 2.810 20.546 ( -0.079 -0.045 -1.608) 1.611 20.775 ( 1.555 0.898 0.980) 2.046 20.778 ( -0.234 -0.135 -0.930) 0.969 ======================= Grid point 140 (24/42) ======================= q-point: (-0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.211 ( -16.733 -9.661 3.851) 19.701 2.273 ( -18.130 -10.467 9.363) 22.933 2.535 ( -9.862 -5.694 -9.839) 15.049 2.558 ( -10.994 -6.347 -12.034) 17.492 2.904 ( -7.956 -4.594 11.314) 14.574 3.159 ( 4.561 2.633 9.536) 10.893 3.334 ( -0.266 -0.154 -0.433) 0.531 3.426 ( 6.763 3.905 -11.182) 13.640 3.470 ( -9.821 -5.670 5.135) 12.449 3.519 ( -4.847 -2.798 -2.525) 6.140 3.966 ( -10.350 -5.975 -6.321) 13.519 3.968 ( -9.153 -5.284 0.537) 10.582 4.275 ( 15.906 9.184 2.240) 18.503 4.567 ( 3.354 1.937 -3.770) 5.405 4.608 ( -0.921 -0.532 13.070) 13.113 4.663 ( 3.403 1.965 -2.141) 4.475 4.815 ( 9.309 5.375 -9.088) 14.076 4.881 ( 10.147 5.858 1.878) 11.866 5.408 ( -0.184 -0.106 0.983) 1.006 5.461 ( 6.112 3.529 4.179) 8.202 5.673 ( 7.043 4.066 -6.541) 10.436 5.825 ( 7.423 4.285 2.823) 9.024 5.847 ( 1.118 0.645 1.909) 2.305 5.930 ( 2.987 1.724 -1.216) 3.657 6.128 ( 3.605 2.081 7.393) 8.484 6.243 ( 3.187 1.840 -10.701) 11.317 6.687 ( -4.340 -2.506 -2.595) 5.643 6.827 ( -2.732 -1.577 2.554) 4.059 6.839 ( -2.741 -1.582 4.527) 5.524 6.888 ( -0.175 -0.101 -1.860) 1.871 7.196 ( -2.158 -1.246 0.915) 2.655 7.318 ( 0.686 0.396 4.188) 4.262 7.441 ( -1.697 -0.980 4.608) 5.007 7.483 ( 0.889 0.513 -1.151) 1.542 7.511 ( 0.442 0.255 10.862) 10.874 7.659 ( 6.013 3.471 -6.424) 9.459 7.805 ( 11.801 6.814 -5.777) 14.801 7.836 ( 1.262 0.729 -5.251) 5.449 7.975 ( 3.286 1.897 2.981) 4.826 8.124 ( 9.074 5.239 -8.228) 13.322 8.463 ( -0.658 -0.380 0.557) 0.942 8.481 ( -1.535 -0.886 4.841) 5.155 9.320 ( -2.887 -1.667 2.438) 4.130 9.456 ( -5.278 -3.047 -2.338) 6.527 9.546 ( 0.324 0.187 1.953) 1.988 9.662 ( 1.043 0.602 -2.986) 3.220 9.798 ( -0.110 -0.063 -0.769) 0.779 9.867 ( -2.628 -1.517 2.521) 3.945 10.033 ( 2.720 1.570 -1.649) 3.547 10.077 ( 2.002 1.156 1.199) 2.604 10.930 ( -6.712 -3.875 2.455) 8.130 10.952 ( -10.020 -5.785 -2.133) 11.765 11.118 ( -3.723 -2.149 -1.726) 4.632 11.181 ( -2.648 -1.529 2.122) 3.722 11.929 ( -2.006 -1.158 4.617) 5.166 12.048 ( -1.037 -0.599 -5.018) 5.159 12.129 ( 3.941 2.275 2.959) 5.428 12.142 ( 1.179 0.681 -6.157) 6.306 12.523 ( -5.469 -3.158 2.804) 6.910 12.552 ( -6.135 -3.542 -2.399) 7.480 12.794 ( -3.670 -2.119 8.330) 9.346 13.002 ( -9.467 -5.466 5.798) 12.374 13.063 ( 0.503 0.291 -10.176) 10.192 13.188 ( -6.958 -4.017 -8.899) 11.989 13.492 ( 1.687 0.974 5.656) 5.982 13.589 ( 7.560 4.365 2.237) 9.012 13.600 ( -14.798 -8.544 2.092) 17.215 13.804 ( -9.465 -5.465 -0.841) 10.962 14.542 ( 0.977 0.564 1.442) 1.831 14.590 ( 3.968 2.291 -4.364) 6.328 14.706 ( 9.171 5.295 0.065) 10.590 14.825 ( 9.763 5.637 -0.021) 11.274 15.556 ( 6.500 3.753 8.777) 11.549 15.629 ( 3.154 1.821 -8.265) 9.032 17.141 ( -1.937 -1.118 1.338) 2.606 17.246 ( -5.753 -3.321 0.218) 6.646 17.319 ( -7.902 -4.562 -2.241) 9.395 17.537 ( 0.502 0.290 4.119) 4.159 17.645 ( -9.581 -5.532 -0.195) 11.065 17.680 ( -5.643 -3.258 -2.962) 7.158 18.194 ( 3.603 2.080 -4.489) 6.121 18.363 ( 2.223 1.284 4.701) 5.357 18.436 ( 3.933 2.271 -0.841) 4.619 18.464 ( 10.139 5.854 1.751) 11.838 18.638 ( 2.269 1.310 -1.716) 3.132 18.678 ( 5.369 3.100 0.912) 6.266 20.411 ( -4.490 -2.592 1.631) 5.435 20.520 ( -2.399 -1.385 -2.566) 3.776 20.787 ( 1.095 0.632 -0.268) 1.292 20.823 ( 2.690 1.553 0.489) 3.145 ======================= Grid point 141 (25/42) ======================= q-point: (-0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.781 ( -21.229 -12.256 6.444) 25.346 1.853 ( -19.004 -10.972 17.019) 27.770 2.258 ( -15.268 -8.815 -17.600) 24.911 2.302 ( -11.483 -6.630 -16.022) 20.797 2.749 ( -5.613 -3.241 16.697) 17.910 3.186 ( -4.990 -2.881 9.720) 11.300 3.238 ( -13.278 -7.666 -2.743) 15.576 3.293 ( -2.229 -1.287 -0.739) 2.678 3.367 ( -18.566 -10.719 1.882) 21.520 3.408 ( -9.125 -5.269 -7.142) 12.729 3.687 ( -7.343 -4.239 1.109) 8.551 3.756 ( 0.839 0.484 -8.158) 8.216 4.532 ( 5.582 3.222 6.468) 9.131 4.713 ( 8.553 4.938 -5.191) 11.157 4.714 ( 12.597 7.273 8.719) 16.959 4.771 ( 5.460 3.153 -1.194) 6.417 4.974 ( 5.284 3.050 -13.698) 14.996 5.125 ( 11.180 6.455 0.106) 12.910 5.480 ( 5.180 2.990 6.083) 8.531 5.671 ( 11.167 6.447 3.149) 13.273 5.806 ( 3.386 1.955 1.737) 4.278 5.916 ( 2.487 1.436 -7.074) 7.635 5.946 ( 7.574 4.373 5.852) 10.523 6.102 ( 5.529 3.192 2.472) 6.846 6.227 ( 9.443 5.452 1.645) 11.028 6.333 ( 3.732 2.155 -11.185) 11.986 6.566 ( -6.198 -3.578 0.964) 7.222 6.723 ( -4.205 -2.428 9.183) 10.388 6.790 ( -0.267 -0.154 -2.178) 2.200 6.922 ( 2.430 1.403 -3.024) 4.126 7.165 ( 0.545 0.314 -1.394) 1.529 7.358 ( 2.301 1.328 6.186) 6.732 7.452 ( 3.431 1.981 -1.365) 4.191 7.503 ( 1.402 0.810 -1.230) 2.033 7.590 ( 5.234 3.022 8.314) 10.279 7.774 ( 3.318 1.916 -0.205) 3.837 7.878 ( 2.520 1.455 4.539) 5.392 8.030 ( 7.824 4.517 -3.947) 9.859 8.069 ( 5.217 3.012 2.166) 6.401 8.272 ( 2.422 1.398 -7.237) 7.758 8.415 ( -4.646 -2.682 5.999) 8.048 8.487 ( 4.624 2.670 -6.960) 8.772 9.276 ( -0.868 -0.501 0.346) 1.061 9.337 ( -4.522 -2.611 0.450) 5.240 9.544 ( -0.534 -0.308 1.605) 1.719 9.641 ( -1.951 -1.127 -2.243) 3.180 9.818 ( -1.346 -0.777 1.454) 2.128 9.841 ( 2.840 1.640 0.104) 3.281 10.096 ( 2.768 1.598 -0.071) 3.197 10.117 ( 1.636 0.945 -0.496) 1.953 10.694 ( -12.934 -7.467 -1.725) 15.034 10.735 ( -10.683 -6.168 1.673) 12.449 11.011 ( -5.712 -3.298 -1.123) 6.691 11.101 ( -4.417 -2.550 1.508) 5.319 11.880 ( -2.198 -1.269 4.964) 5.575 12.004 ( -2.444 -1.411 -7.657) 8.161 12.182 ( 0.975 0.563 -3.070) 3.270 12.229 ( 4.541 2.622 2.191) 5.683 12.389 ( -5.850 -3.377 1.008) 6.829 12.418 ( -4.875 -2.815 -1.993) 5.972 12.683 ( -5.829 -3.365 6.343) 9.249 12.781 ( -10.388 -5.998 5.224) 13.083 12.979 ( -11.369 -6.564 -8.182) 15.469 13.078 ( -0.096 -0.056 -8.890) 8.891 13.253 ( -15.104 -8.720 5.038) 18.154 13.489 ( -2.864 -1.654 5.813) 6.688 13.524 ( -9.604 -5.545 1.240) 11.159 13.782 ( 3.454 1.994 -1.713) 4.341 14.585 ( 3.750 2.165 6.862) 8.114 14.739 ( 9.497 5.483 -8.639) 13.960 14.940 ( 11.878 6.858 -1.192) 13.768 15.048 ( 10.114 5.839 1.447) 11.768 15.710 ( 7.266 4.195 7.209) 11.061 15.725 ( 5.123 2.958 -6.349) 8.678 16.996 ( -16.274 -9.396 3.874) 19.187 17.054 ( -7.854 -4.535 -2.853) 9.508 17.165 ( -3.973 -2.294 -3.366) 5.690 17.468 ( -5.579 -3.221 2.997) 7.105 17.538 ( -0.960 -0.554 0.398) 1.177 17.562 ( -4.605 -2.658 -2.365) 5.819 18.325 ( 7.413 4.280 -3.036) 9.082 18.415 ( 2.652 1.531 4.278) 5.261 18.516 ( 3.164 1.827 -0.486) 3.686 18.677 ( 2.544 1.469 0.516) 2.983 18.708 ( 9.904 5.718 -0.278) 11.440 18.814 ( 6.812 3.933 -0.256) 7.870 20.283 ( -7.215 -4.166 2.502) 8.699 20.435 ( -5.424 -3.131 -5.378) 8.255 20.829 ( 2.733 1.578 1.671) 3.571 20.896 ( 3.915 2.260 -0.526) 4.551 ======================= Grid point 142 (26/42) ======================= q-point: (-0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -21.682 -12.518 11.468) 27.537 1.448 ( -17.079 -9.861 24.943) 31.798 1.905 ( -15.921 -9.192 -22.352) 28.942 1.989 ( -17.359 -10.022 -18.118) 27.019 2.541 ( -39.496 -22.803 15.803) 48.266 2.665 ( -2.286 -1.320 21.228) 21.391 2.930 ( -16.565 -9.564 -17.753) 26.097 3.061 ( -9.674 -5.585 9.253) 14.505 3.175 ( -2.678 -1.546 -9.840) 10.315 3.339 ( -0.572 -0.331 -9.981) 10.003 3.716 ( 5.017 2.897 6.430) 8.655 3.860 ( 5.185 2.994 -7.948) 9.951 4.651 ( 5.582 3.223 6.156) 8.913 4.844 ( 4.156 2.400 -7.765) 9.128 4.929 ( 7.046 4.068 4.923) 9.509 4.996 ( 10.858 6.269 10.327) 16.243 5.115 ( 8.194 4.731 -13.083) 16.145 5.345 ( 7.999 4.618 -4.450) 10.252 5.571 ( 2.639 1.524 6.961) 7.599 5.824 ( 0.612 0.354 -1.915) 2.042 5.826 ( -0.929 -0.537 11.954) 12.002 6.059 ( 11.064 6.388 -7.544) 14.836 6.085 ( 2.821 1.629 6.963) 7.688 6.115 ( -0.764 -0.441 1.934) 2.125 6.338 ( -3.415 -1.972 -3.302) 5.143 6.385 ( -4.659 -2.690 -6.967) 8.802 6.584 ( 14.001 8.084 1.676) 16.254 6.759 ( 8.709 5.028 0.812) 10.089 6.880 ( 7.361 4.250 0.652) 8.524 6.916 ( -3.077 -1.777 -6.259) 7.198 7.286 ( 10.078 5.819 2.386) 11.880 7.428 ( 4.106 2.371 3.783) 6.066 7.549 ( 4.553 2.629 -2.862) 5.986 7.573 ( 5.110 2.950 1.215) 6.024 7.719 ( 5.771 3.332 2.689) 7.186 7.809 ( 0.276 0.159 4.620) 4.631 7.971 ( 6.491 3.747 15.898) 17.576 8.126 ( 0.271 0.156 -0.979) 1.028 8.182 ( 4.850 2.800 7.116) 9.055 8.225 ( -5.075 -2.930 -5.706) 8.179 8.272 ( -7.804 -4.506 6.420) 11.064 8.707 ( 15.165 8.755 -16.823) 24.282 9.292 ( 2.417 1.395 -1.435) 3.138 9.301 ( 2.071 1.195 4.523) 5.117 9.526 ( -0.805 -0.465 1.455) 1.727 9.599 ( -1.684 -0.972 -2.498) 3.165 9.816 ( 1.109 0.640 -0.121) 1.286 9.891 ( 1.304 0.753 1.883) 2.411 10.141 ( -0.318 -0.183 -2.477) 2.504 10.150 ( 1.944 1.123 1.277) 2.583 10.398 ( -12.575 -7.260 -0.544) 14.531 10.466 ( -13.163 -7.600 0.779) 15.219 10.866 ( -7.641 -4.412 -0.103) 8.824 10.983 ( -6.379 -3.683 -0.245) 7.370 11.836 ( -1.761 -1.017 4.791) 5.205 11.948 ( -2.592 -1.496 -6.430) 7.092 12.138 ( -4.239 -2.447 -3.121) 5.805 12.206 ( -6.482 -3.743 -1.823) 7.704 12.373 ( -0.342 -0.197 0.798) 0.890 12.388 ( 5.434 3.137 1.432) 6.436 12.525 ( -9.318 -5.380 3.337) 11.266 12.586 ( -4.805 -2.774 1.059) 5.649 12.696 ( -13.066 -7.544 -1.711) 15.184 12.874 ( -16.584 -9.575 -0.446) 19.155 13.113 ( 0.731 0.422 -2.479) 2.619 13.335 ( -6.946 -4.010 2.253) 8.331 13.374 ( -7.008 -4.046 5.894) 10.011 13.759 ( -6.371 -3.678 -10.012) 12.424 14.750 ( 11.716 6.764 17.520) 22.136 14.991 ( 12.462 7.195 -8.248) 16.586 15.238 ( 14.635 8.449 -6.132) 17.977 15.270 ( 9.648 5.570 3.440) 11.660 15.841 ( 4.962 2.865 -2.141) 6.117 15.882 ( 8.499 4.907 3.871) 10.550 16.580 ( -19.842 -11.456 7.743) 24.185 16.816 ( -12.147 -7.013 -13.809) 19.682 17.127 ( -0.548 -0.316 -0.612) 0.880 17.363 ( -4.277 -2.469 3.381) 5.985 17.471 ( -3.991 -2.304 -1.944) 5.002 17.496 ( -3.160 -1.825 -0.672) 3.710 18.479 ( 3.115 1.799 5.159) 6.289 18.490 ( 6.932 4.002 -2.258) 8.316 18.583 ( 3.076 1.776 0.020) 3.552 18.708 ( 1.026 0.592 -1.424) 1.852 18.933 ( 9.240 5.335 0.901) 10.708 18.974 ( 7.184 4.148 -0.678) 8.323 20.084 ( -10.673 -6.162 2.996) 12.683 20.265 ( -10.253 -5.920 -10.039) 15.523 20.913 ( 4.914 2.837 4.349) 7.150 20.999 ( 5.280 3.048 -1.539) 6.288 ======================= Grid point 143 (27/42) ======================= q-point: (-0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -15.867 -9.161 21.357) 28.139 1.079 ( -17.969 -10.374 27.280) 34.274 1.570 ( -17.148 -9.901 -23.281) 30.563 1.572 ( -13.809 -7.972 -23.820) 28.664 1.698 ( -30.313 -17.501 34.898) 49.427 2.651 ( -7.833 -4.522 -40.625) 41.620 2.659 ( 1.407 0.812 24.426) 24.480 2.865 ( -8.154 -4.708 21.650) 23.609 3.175 ( 2.180 1.259 -16.716) 16.905 3.309 ( -2.191 -1.265 -15.233) 15.441 3.820 ( 3.625 2.093 8.228) 9.231 3.948 ( 2.546 1.470 -4.461) 5.342 4.765 ( 4.172 2.409 5.495) 7.308 4.924 ( 2.807 1.620 -7.395) 8.074 5.063 ( 5.342 3.084 9.410) 11.252 5.163 ( 3.737 2.158 12.548) 13.270 5.316 ( 8.813 5.088 -12.129) 15.832 5.468 ( 2.815 1.625 -9.758) 10.285 5.597 ( -0.159 -0.092 6.952) 6.954 5.778 ( -2.704 -1.561 -5.801) 6.588 5.805 ( -0.379 -0.219 19.125) 19.130 6.094 ( -0.452 -0.261 5.537) 5.561 6.109 ( 0.113 0.065 4.603) 4.605 6.242 ( -3.909 -2.257 -2.556) 5.187 6.261 ( -2.243 -1.295 -4.245) 4.972 6.301 ( 5.197 3.000 -13.877) 15.119 6.844 ( 1.293 0.747 -2.024) 2.515 6.908 ( 10.957 6.326 -6.662) 14.299 6.957 ( 3.277 1.892 6.643) 7.645 7.064 ( 9.397 5.425 -2.733) 11.189 7.549 ( 12.087 6.978 4.567) 14.685 7.561 ( 7.918 4.571 -0.292) 9.147 7.626 ( 2.299 1.327 -2.846) 3.892 7.688 ( 3.701 2.137 -0.164) 4.277 7.800 ( -0.903 -0.521 5.165) 5.269 7.833 ( 4.555 2.630 -0.274) 5.267 8.027 ( -6.827 -3.941 -1.011) 7.947 8.048 ( -5.695 -3.288 6.442) 9.205 8.060 ( -6.970 -4.024 1.065) 8.119 8.126 ( -4.174 -2.410 -5.464) 7.286 8.581 ( 39.033 22.536 40.412) 60.536 9.164 ( 23.801 13.741 -12.303) 30.111 9.378 ( 4.622 2.669 -0.221) 5.342 9.440 ( 10.569 6.102 3.475) 12.689 9.528 ( 1.696 0.979 0.312) 1.984 9.575 ( 0.324 0.187 -3.495) 3.515 9.856 ( 2.157 1.246 -1.380) 2.848 9.879 ( -3.514 -2.029 3.244) 5.195 10.018 ( -8.343 -4.817 -1.126) 9.699 10.135 ( -8.406 -4.853 0.864) 9.744 10.216 ( -3.401 -1.964 0.845) 4.018 10.250 ( -1.255 -0.725 -0.928) 1.721 10.633 ( -14.733 -8.506 2.133) 17.145 10.786 ( -13.273 -7.663 -5.956) 16.443 11.799 ( -1.688 -0.975 5.330) 5.676 11.881 ( -4.026 -2.324 -1.238) 4.811 12.030 ( -5.734 -3.310 -8.903) 11.095 12.044 ( -7.484 -4.321 -5.643) 10.321 12.307 ( -4.589 -2.649 4.302) 6.825 12.374 ( -3.704 -2.138 -1.317) 4.475 12.432 ( -9.870 -5.699 2.865) 11.752 12.490 ( -4.778 -2.759 1.958) 5.855 12.548 ( -2.961 -1.710 -0.660) 3.482 12.558 ( 1.656 0.956 -1.179) 2.246 13.141 ( 1.520 0.877 -2.378) 2.955 13.210 ( -6.633 -3.830 3.183) 8.294 13.214 ( -4.146 -2.394 2.700) 5.496 13.492 ( -17.040 -9.838 -13.285) 23.741 15.135 ( 23.675 13.669 21.234) 34.616 15.279 ( 13.303 7.681 -1.789) 15.465 15.457 ( 6.450 3.724 5.134) 9.045 15.533 ( 10.070 5.814 -8.062) 14.149 15.927 ( 1.907 1.101 4.687) 5.179 16.042 ( -4.740 -2.737 -3.404) 6.445 16.231 ( 0.118 0.068 8.485) 8.487 16.541 ( -12.541 -7.241 -22.356) 26.637 17.124 ( -0.024 -0.014 2.942) 2.943 17.260 ( -5.626 -3.248 5.179) 8.308 17.360 ( -6.095 -3.519 -5.100) 8.692 17.390 ( -5.808 -3.353 -2.787) 7.263 18.568 ( 5.484 3.166 6.604) 9.149 18.625 ( 4.719 2.725 0.105) 5.450 18.656 ( 3.751 2.166 -1.517) 4.590 18.726 ( 0.584 0.337 -1.600) 1.736 19.101 ( 5.519 3.186 0.387) 6.385 19.113 ( 4.821 2.783 -0.421) 5.582 19.823 ( -11.674 -6.740 1.097) 13.525 19.949 ( -18.554 -10.712 -12.210) 24.659 21.050 ( 7.066 4.079 5.022) 9.581 21.118 ( 4.844 2.797 -1.504) 5.792 ======================= Grid point 145 (28/42) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.241 ( 17.746 18.449 15.938) 30.154 1.362 ( 11.179 16.874 24.554) 31.821 1.693 ( 1.475 19.402 -20.515) 28.275 1.925 ( 10.939 15.297 -21.877) 28.849 2.256 ( 19.240 41.461 20.206) 49.975 2.716 ( 7.293 0.707 18.923) 20.292 2.870 ( 11.943 14.364 -23.222) 29.803 2.982 ( 2.511 9.718 15.346) 18.337 3.148 ( -1.044 0.935 -15.447) 15.510 3.314 ( -1.540 1.000 -9.275) 9.455 3.743 ( -3.139 -5.327 7.004) 9.343 3.916 ( 0.236 -4.000 -8.469) 9.369 4.693 ( -2.196 -5.390 6.142) 8.462 4.859 ( -3.345 -4.655 -6.735) 8.845 4.919 ( -7.810 -6.735 7.281) 12.624 5.123 ( 0.845 -7.550 10.097) 12.636 5.172 ( -4.721 -10.283 -11.632) 16.227 5.330 ( -9.125 -6.758 -6.206) 12.940 5.631 ( 3.524 -1.656 6.658) 7.713 5.770 ( -2.592 0.432 0.411) 2.660 5.832 ( -0.278 3.285 9.699) 10.244 6.056 ( -3.195 -2.525 -1.632) 4.387 6.106 ( -1.082 -2.456 4.341) 5.103 6.197 ( -0.221 -8.756 0.884) 8.803 6.267 ( -1.021 3.192 -4.272) 5.429 6.380 ( 3.641 3.738 -7.098) 8.810 6.738 ( -1.626 -11.158 0.080) 11.276 6.780 ( -6.793 -2.561 -1.150) 7.350 6.863 ( -9.633 -7.909 1.539) 12.558 6.910 ( 0.072 -3.574 -3.866) 5.266 7.413 ( -0.070 -13.195 4.040) 13.800 7.465 ( -1.776 -7.615 1.838) 8.032 7.512 ( -8.231 -6.907 -4.238) 11.551 7.551 ( -5.287 -4.609 -3.507) 7.842 7.795 ( 0.648 1.314 7.791) 7.928 7.907 ( 5.289 -0.416 -2.169) 5.731 8.044 ( -1.024 -4.682 12.956) 13.814 8.085 ( -3.631 5.033 6.677) 9.116 8.142 ( 2.445 0.640 5.309) 5.879 8.178 ( -2.896 1.697 5.022) 6.041 8.283 ( 3.625 -1.506 4.772) 6.179 8.758 ( -15.691 -18.877 -17.438) 30.110 9.306 ( -5.156 -2.443 3.235) 6.559 9.345 ( 1.849 -5.970 0.087) 6.251 9.498 ( 4.285 -3.055 -0.698) 5.309 9.514 ( -5.042 2.023 -1.300) 5.586 9.943 ( 1.592 0.655 3.289) 3.712 10.025 ( 0.590 4.591 -3.511) 5.810 10.116 ( -1.192 5.196 0.863) 5.401 10.126 ( 6.088 0.453 0.325) 6.113 10.281 ( 3.291 5.338 0.336) 6.280 10.292 ( 3.264 7.694 -0.352) 8.365 10.877 ( 9.195 9.242 1.608) 13.136 10.927 ( 2.045 10.237 -2.382) 10.708 11.813 ( -0.104 2.424 4.988) 5.547 11.949 ( 2.183 3.394 -5.444) 6.777 12.088 ( 3.053 2.541 -0.864) 4.065 12.151 ( 2.158 5.278 -6.071) 8.329 12.371 ( 1.043 1.720 3.605) 4.129 12.423 ( 0.023 -2.812 -1.076) 3.011 12.525 ( 3.088 4.206 0.787) 5.277 12.555 ( 5.185 6.815 -1.469) 8.689 12.632 ( 6.429 10.618 5.651) 13.638 12.695 ( 2.060 16.926 0.389) 17.055 13.180 ( -2.635 6.573 -0.875) 7.135 13.203 ( 7.927 -2.591 -1.708) 8.513 13.445 ( 10.527 7.188 6.993) 14.540 13.668 ( 1.222 11.346 -13.545) 17.711 14.803 ( -9.734 -13.554 18.218) 24.705 15.089 ( -5.075 -14.090 -6.238) 16.223 15.287 ( -8.464 -8.158 3.185) 12.179 15.422 ( -1.050 -15.927 -9.126) 18.386 15.850 ( -11.799 -8.711 4.942) 15.477 15.892 ( -2.051 -4.706 0.687) 5.180 16.468 ( 12.309 19.478 6.991) 24.078 16.767 ( 9.700 10.818 -18.245) 23.324 17.207 ( 7.626 -0.184 1.981) 7.881 17.265 ( -4.243 6.337 -0.658) 7.655 17.430 ( 0.860 4.554 1.373) 4.834 17.461 ( 0.551 4.103 0.266) 4.149 18.470 ( -4.217 -3.268 4.472) 6.961 18.556 ( -1.248 -6.405 -2.111) 6.858 18.635 ( 0.997 -3.659 1.560) 4.101 18.691 ( -3.017 -0.615 -2.261) 3.820 18.989 ( -4.279 -8.354 0.914) 9.430 19.011 ( -4.504 -7.075 -0.837) 8.429 20.027 ( 7.541 11.543 3.176) 14.149 20.184 ( 5.521 12.254 -11.266) 17.537 20.953 ( -2.307 -5.596 4.852) 7.758 21.026 ( -3.720 -5.573 -1.877) 6.959 ======================= Grid point 146 (29/42) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( 16.868 15.088 17.163) 28.403 1.776 ( 16.792 19.162 13.182) 28.687 1.960 ( 7.607 18.519 -14.322) 24.616 2.208 ( 8.931 10.658 -20.376) 24.669 2.886 ( 9.916 1.835 13.883) 17.159 3.005 ( 24.835 28.552 5.324) 38.215 3.080 ( 0.264 4.744 7.844) 9.171 3.173 ( 6.405 8.929 -4.569) 11.900 3.260 ( 7.674 6.620 -3.938) 10.873 3.318 ( 2.230 6.487 -5.664) 8.896 3.657 ( -0.119 -1.978 2.066) 2.863 3.877 ( -0.189 -3.765 -12.567) 13.120 4.599 ( -3.196 -5.214 6.229) 8.729 4.674 ( -9.485 -7.851 8.958) 15.227 4.756 ( -6.250 -6.804 -4.981) 10.496 4.988 ( -5.955 -6.788 -11.121) 14.326 5.017 ( -5.915 -7.235 1.495) 9.464 5.096 ( -6.733 -9.022 -1.678) 11.382 5.664 ( 1.701 -3.637 5.890) 7.128 5.695 ( -3.725 -4.241 -1.481) 5.836 5.786 ( -8.260 -1.310 5.750) 10.149 5.975 ( -5.033 -2.471 -2.939) 6.330 6.013 ( -0.592 -6.476 2.896) 7.119 6.027 ( -5.685 -17.500 0.161) 18.401 6.262 ( -5.130 5.351 3.224) 8.083 6.410 ( -7.112 5.093 -5.777) 10.483 6.600 ( 0.597 -6.776 3.755) 7.770 6.667 ( 0.638 -3.949 -2.449) 4.691 6.790 ( 2.131 2.173 6.542) 7.215 6.943 ( 1.681 4.542 -6.692) 8.261 7.279 ( -8.850 -5.106 -4.339) 11.101 7.310 ( -0.331 -8.649 1.565) 8.796 7.384 ( 1.754 -6.989 0.077) 7.206 7.457 ( -1.580 -4.677 -1.455) 5.147 7.812 ( -2.009 2.343 3.072) 4.355 7.893 ( -7.652 2.030 6.425) 10.195 7.932 ( -3.549 -4.334 10.184) 11.623 8.097 ( -2.256 0.046 0.236) 2.269 8.152 ( -2.560 1.794 4.717) 5.659 8.188 ( 3.762 -0.138 2.433) 4.483 8.369 ( -12.305 -9.132 -14.706) 21.238 8.387 ( 5.478 -2.503 -1.463) 6.198 9.273 ( 1.463 1.021 0.172) 1.792 9.324 ( 1.428 -2.572 -0.166) 2.946 9.502 ( 1.192 1.737 -0.375) 2.139 9.567 ( 5.866 -2.378 -0.006) 6.330 9.855 ( -8.891 2.126 2.362) 9.442 10.044 ( 0.237 -4.005 -1.370) 4.239 10.075 ( -8.498 9.924 -0.136) 13.066 10.199 ( -0.661 4.092 -0.155) 4.148 10.490 ( 12.628 4.779 -0.059) 13.503 10.537 ( 16.652 2.525 0.217) 16.844 11.032 ( 0.270 8.468 -0.581) 8.493 11.090 ( 6.150 7.363 0.330) 9.599 11.842 ( 0.238 3.186 4.599) 5.600 12.014 ( 1.897 3.103 -6.446) 7.401 12.177 ( 3.446 -2.332 0.631) 4.208 12.194 ( 1.842 1.783 -1.594) 3.018 12.345 ( -2.188 -2.292 -1.056) 3.340 12.430 ( 4.270 0.164 -4.085) 5.911 12.641 ( 5.927 5.280 7.498) 10.919 12.791 ( 1.331 10.140 6.964) 12.373 12.795 ( 8.845 8.367 -2.647) 12.460 12.916 ( 4.853 14.607 -1.296) 15.447 13.278 ( 6.139 8.795 -4.530) 11.643 13.346 ( 10.978 -0.022 1.004) 11.024 13.646 ( 6.246 3.196 6.868) 9.818 13.728 ( -2.028 2.817 -7.781) 8.520 14.594 ( -4.591 -5.868 9.474) 12.053 14.853 ( -7.362 -12.142 -9.358) 17.005 15.059 ( -9.548 -7.206 1.573) 12.065 15.178 ( -10.100 -11.847 -5.208) 16.416 15.607 ( -7.998 -5.350 9.168) 13.291 15.822 ( -1.826 -4.898 -2.475) 5.784 16.879 ( 15.190 14.987 2.464) 21.480 17.016 ( 9.296 5.887 -9.784) 14.724 17.272 ( -2.844 9.396 -3.874) 10.554 17.343 ( 7.839 -0.560 2.921) 8.384 17.471 ( 1.073 3.474 4.789) 6.013 17.505 ( 0.494 3.740 0.640) 3.827 18.362 ( -5.548 -2.923 1.801) 6.524 18.474 ( -1.402 -5.681 -1.225) 5.978 18.597 ( -2.990 -2.970 0.298) 4.225 18.624 ( -2.445 -2.246 -0.648) 3.383 18.828 ( -4.691 -8.041 1.720) 9.467 18.843 ( -6.972 -6.743 -1.713) 9.849 20.247 ( 7.348 7.329 3.716) 11.023 20.349 ( 3.962 6.366 -7.025) 10.275 20.878 ( -1.608 -3.325 2.720) 4.587 20.910 ( -4.168 -4.005 -1.605) 5.999 ======================= Grid point 147 (30/42) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( 16.581 13.216 12.410) 24.568 2.224 ( 13.378 18.187 8.109) 23.990 2.283 ( 10.370 17.296 -10.108) 22.558 2.453 ( 9.239 9.258 -15.229) 20.075 3.017 ( 2.889 1.728 8.676) 9.307 3.125 ( 2.089 1.890 6.765) 7.328 3.260 ( -0.181 1.731 -0.340) 1.774 3.330 ( 0.524 4.237 -0.778) 4.339 3.466 ( 11.980 4.127 -2.511) 12.917 3.578 ( 8.033 4.412 -5.058) 10.468 3.752 ( 7.725 3.899 2.618) 9.041 3.904 ( 6.625 4.653 -8.946) 12.065 4.417 ( -7.928 -8.118 7.900) 13.826 4.464 ( -12.018 -12.722 -1.397) 17.557 4.552 ( -4.585 -3.794 9.799) 11.465 4.822 ( -6.372 -3.993 -1.881) 7.751 4.911 ( -2.482 -3.063 -10.898) 11.589 4.959 ( -2.296 -3.412 -1.968) 4.560 5.497 ( -6.947 -9.427 -0.332) 11.715 5.575 ( -10.475 -5.060 1.526) 11.733 5.658 ( -4.519 -14.477 0.456) 15.173 5.701 ( -3.888 -5.772 3.098) 7.618 5.888 ( -1.087 -4.405 -1.323) 4.726 6.024 ( 2.463 -2.728 1.593) 4.006 6.189 ( -7.453 4.429 -0.580) 8.689 6.350 ( -5.016 7.244 -0.122) 8.812 6.599 ( 3.391 -5.504 2.822) 7.054 6.705 ( 2.426 1.053 -2.167) 3.419 6.856 ( 1.281 5.528 3.436) 6.633 7.011 ( -0.157 5.420 -1.985) 5.774 7.185 ( 1.092 1.635 -1.426) 2.429 7.255 ( 0.590 -3.881 1.567) 4.226 7.393 ( 0.429 -2.377 2.533) 3.500 7.409 ( 4.539 -4.755 -2.732) 7.119 7.723 ( -10.142 2.632 4.095) 11.249 7.799 ( -5.761 -0.081 8.032) 9.885 7.826 ( -3.274 -3.588 -5.309) 7.196 8.011 ( -7.794 -2.022 1.622) 8.214 8.052 ( -7.255 -0.840 -1.939) 7.556 8.094 ( -8.628 -6.063 -11.076) 15.293 8.301 ( 7.057 -2.595 6.298) 9.808 8.446 ( 4.032 -3.700 0.444) 5.490 9.342 ( 4.839 0.605 -0.377) 4.891 9.358 ( 3.479 0.983 -0.924) 3.731 9.549 ( 1.945 1.151 -0.209) 2.270 9.638 ( 3.940 -0.778 0.617) 4.064 9.730 ( -5.716 -1.468 1.387) 6.063 9.981 ( -0.686 -7.162 -1.179) 7.290 10.053 ( -6.999 12.952 0.236) 14.724 10.215 ( -4.004 7.429 -0.096) 8.440 10.736 ( 11.801 2.345 0.566) 12.045 10.827 ( 15.266 1.357 -0.239) 15.328 11.092 ( -1.030 5.945 -0.271) 6.040 11.234 ( 2.929 6.218 0.045) 6.874 11.884 ( 1.428 2.626 4.164) 5.126 12.060 ( 0.338 1.648 -3.867) 4.217 12.127 ( -3.687 -0.607 -0.228) 3.744 12.254 ( -0.690 -1.461 -4.535) 4.814 12.335 ( 6.956 -2.060 1.607) 7.430 12.541 ( 6.935 0.641 -5.274) 8.736 12.772 ( 3.290 3.482 12.386) 13.280 12.884 ( 3.469 5.964 7.195) 9.969 13.004 ( 5.450 8.215 -7.478) 12.374 13.108 ( 3.622 10.251 -3.814) 11.521 13.520 ( 10.305 7.406 -2.728) 12.980 13.562 ( 10.559 2.617 0.083) 10.879 13.683 ( -1.219 -1.351 1.775) 2.542 13.690 ( -1.473 -0.061 -0.064) 1.476 14.511 ( -0.886 -3.318 3.793) 5.117 14.649 ( -5.069 -6.746 -6.734) 10.796 14.837 ( -9.152 -6.593 1.022) 11.326 14.913 ( -10.520 -6.599 -1.311) 12.487 15.457 ( -4.613 -4.475 8.744) 10.852 15.739 ( -2.741 -3.919 -4.964) 6.893 17.122 ( 4.433 0.560 -0.038) 4.468 17.240 ( 7.923 4.855 -6.573) 11.382 17.339 ( 0.928 10.212 -0.871) 10.291 17.477 ( 7.785 4.157 5.129) 10.208 17.554 ( 2.607 4.794 3.972) 6.750 17.588 ( 4.851 6.786 -1.986) 8.575 18.226 ( -7.013 -2.753 -0.457) 7.548 18.405 ( -0.944 -4.388 0.450) 4.511 18.477 ( -5.600 -4.558 -0.174) 7.222 18.553 ( -3.454 -4.894 0.880) 6.055 18.666 ( -6.101 -4.372 -1.824) 7.725 18.705 ( -2.892 -5.602 0.957) 6.377 20.406 ( 4.948 4.339 3.076) 7.265 20.451 ( 2.680 3.745 -4.106) 6.169 20.817 ( -3.034 -2.648 -0.850) 4.116 20.829 ( -1.053 -2.450 1.022) 2.856 ======================= Grid point 148 (31/42) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 12.497 11.440 6.025) 17.982 2.536 ( 6.898 13.303 -0.163) 14.986 2.610 ( 7.662 14.153 -2.606) 16.304 2.689 ( 7.330 8.451 -6.833) 13.109 3.035 ( -0.653 -0.385 9.531) 9.561 3.158 ( -0.696 1.251 5.022) 5.222 3.244 ( -1.854 2.166 -3.514) 4.525 3.359 ( -1.769 -1.026 -3.370) 3.942 3.548 ( 1.415 -2.902 -1.995) 3.795 3.741 ( 9.601 1.207 -7.955) 12.527 3.884 ( 5.929 2.364 5.754) 8.593 4.014 ( -1.914 -3.095 -1.014) 3.778 4.137 ( -7.268 -11.007 -4.449) 13.920 4.303 ( 4.467 -5.389 5.773) 9.073 4.434 ( -6.556 -4.949 5.200) 9.722 4.689 ( -6.631 -5.870 -0.703) 8.884 4.833 ( -5.475 0.917 1.086) 5.657 4.886 ( -3.849 -1.294 -4.706) 6.216 5.351 ( 1.192 -9.837 1.526) 10.025 5.391 ( -2.786 -3.920 -1.457) 5.025 5.510 ( 4.764 -12.780 0.376) 13.644 5.657 ( -1.080 -1.194 2.937) 3.350 5.855 ( 0.107 -2.602 -1.675) 3.096 5.956 ( -3.539 -4.137 -6.020) 8.117 6.202 ( -3.005 11.644 0.775) 12.050 6.335 ( -4.244 4.666 -1.021) 6.389 6.617 ( 3.573 0.590 3.659) 5.148 6.746 ( 1.198 1.095 0.392) 1.670 6.948 ( 0.940 7.827 1.167) 7.969 7.032 ( -4.203 6.746 1.339) 8.060 7.256 ( 2.569 -1.119 0.635) 2.873 7.279 ( 4.040 2.431 -1.723) 5.020 7.360 ( -0.993 0.898 5.735) 5.889 7.455 ( 1.667 -0.853 3.590) 4.049 7.598 ( -7.229 -0.724 3.550) 8.086 7.697 ( -2.812 -0.676 -5.692) 6.384 7.764 ( -0.739 -2.072 -4.495) 5.005 7.837 ( -7.670 -3.230 2.717) 8.755 7.896 ( -7.526 -2.217 -7.716) 11.005 7.951 ( -4.627 -4.418 -3.870) 7.476 8.374 ( 5.835 -4.607 5.979) 9.540 8.463 ( 2.431 -3.379 0.825) 4.244 9.423 ( 3.829 1.115 2.960) 4.966 9.447 ( 5.062 1.046 -3.200) 6.079 9.555 ( -2.808 -0.264 1.415) 3.156 9.616 ( -2.915 -0.657 -1.825) 3.501 9.722 ( 5.414 -2.903 0.912) 6.210 9.898 ( -0.957 -6.974 -1.101) 7.125 10.088 ( -4.443 13.637 0.591) 14.355 10.205 ( -6.789 9.003 -0.144) 11.277 10.916 ( 8.498 -0.256 1.262) 8.595 11.039 ( 8.932 -3.527 -0.225) 9.606 11.134 ( 0.570 7.123 -0.293) 7.152 11.298 ( -1.259 3.692 -0.276) 3.911 11.936 ( 2.167 1.616 4.010) 4.836 12.052 ( -1.591 -0.571 1.266) 2.111 12.074 ( -2.865 1.900 -2.174) 4.067 12.218 ( -1.655 -0.464 -7.892) 8.077 12.453 ( 8.708 -3.461 3.341) 9.948 12.629 ( 4.938 -4.392 -3.033) 7.272 12.838 ( 0.177 6.701 9.748) 11.830 13.022 ( 5.899 3.892 4.072) 8.156 13.134 ( 2.288 5.916 -6.979) 9.431 13.245 ( 4.004 6.056 -2.364) 7.635 13.497 ( -6.403 -5.299 -1.063) 8.379 13.535 ( -6.252 -6.084 -1.287) 8.819 13.831 ( 11.035 6.382 0.890) 12.779 13.871 ( 9.580 7.695 -0.316) 12.291 14.476 ( 0.476 -3.972 1.304) 4.208 14.560 ( -1.260 -1.600 -2.405) 3.151 14.625 ( -7.859 -7.181 1.321) 10.727 14.709 ( -7.857 -3.315 -1.662) 8.688 15.373 ( -1.222 -2.270 9.421) 9.767 15.663 ( -2.888 -1.803 -7.321) 8.074 17.166 ( 2.468 -2.176 3.005) 4.456 17.281 ( -0.891 1.434 -2.903) 3.359 17.467 ( 1.129 6.743 -1.714) 7.048 17.639 ( 3.861 2.989 1.782) 5.198 17.704 ( 4.990 7.086 -1.061) 8.731 17.728 ( 4.994 8.225 0.749) 9.651 18.116 ( -2.360 -0.864 -0.011) 2.513 18.324 ( -3.768 -6.689 1.997) 7.932 18.378 ( -1.132 -2.164 -0.162) 2.448 18.422 ( -5.409 -3.603 -1.873) 6.763 18.565 ( -2.444 -2.673 0.484) 3.654 18.616 ( -1.844 -4.831 0.185) 5.174 20.497 ( 1.940 2.451 2.060) 3.744 20.516 ( 1.607 2.413 -2.418) 3.775 20.760 ( -1.107 -1.752 0.069) 2.074 20.793 ( -0.582 -2.176 -0.056) 2.253 ======================= Grid point 149 (32/42) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.643 ( -7.079 7.561 3.500) 10.933 2.720 ( -1.364 2.504 2.557) 3.830 2.754 ( 0.472 7.375 -5.336) 9.115 2.784 ( -3.005 2.346 -3.674) 5.295 3.031 ( 1.288 1.305 8.390) 8.588 3.137 ( -2.702 1.974 5.599) 6.523 3.247 ( -3.518 -3.239 -6.693) 8.226 3.270 ( 1.461 3.078 -3.410) 4.821 3.659 ( 6.383 2.365 0.969) 6.876 3.716 ( -5.032 -5.334 -3.981) 8.344 3.879 ( -2.616 -7.613 5.403) 9.695 3.944 ( 7.646 -3.282 1.777) 8.508 4.210 ( -7.027 -5.157 -1.990) 8.940 4.265 ( 12.857 7.063 -6.506) 16.047 4.439 ( 7.400 -0.832 0.641) 7.474 4.488 ( -0.550 -12.021 -1.433) 12.118 4.719 ( -4.643 -2.423 9.766) 11.081 4.907 ( -1.194 9.236 -4.034) 10.149 5.301 ( 1.873 -6.788 3.348) 7.797 5.400 ( 6.817 -6.182 -2.370) 9.503 5.488 ( 6.188 -10.455 3.382) 12.611 5.619 ( 0.462 -5.805 -4.025) 7.079 5.845 ( 1.987 -1.677 -0.543) 2.656 5.895 ( -1.929 -0.989 -4.683) 5.161 6.223 ( -8.571 12.582 4.419) 15.852 6.322 ( -4.878 7.271 -3.143) 9.303 6.709 ( 4.941 0.357 3.343) 5.977 6.762 ( -0.414 1.023 -1.699) 2.026 6.996 ( -6.518 6.916 3.444) 10.109 7.013 ( -3.563 7.417 0.962) 8.285 7.239 ( -2.179 -2.684 3.857) 5.180 7.356 ( 3.044 0.720 -1.549) 3.491 7.430 ( 4.946 5.509 -1.178) 7.496 7.444 ( -1.601 0.109 1.489) 2.189 7.498 ( -3.995 1.527 3.758) 5.693 7.650 ( -2.606 -0.838 -0.416) 2.768 7.717 ( -5.719 -1.903 4.042) 7.257 7.769 ( 2.945 -3.300 -6.158) 7.582 7.834 ( 4.320 0.817 -3.130) 5.397 7.882 ( 0.581 -0.017 -9.285) 9.303 8.407 ( 4.229 -6.153 5.598) 9.332 8.468 ( 1.995 -3.325 0.376) 3.896 9.443 ( -3.783 -1.080 4.709) 6.136 9.511 ( 2.029 0.749 1.288) 2.517 9.542 ( 3.221 -0.345 -3.024) 4.432 9.574 ( -1.050 -0.328 -3.651) 3.813 9.776 ( 2.974 -4.160 2.292) 5.604 9.832 ( 2.102 -5.043 -2.170) 5.879 10.141 ( -6.568 12.061 1.537) 13.819 10.170 ( -6.637 10.492 -0.883) 12.446 11.002 ( 2.419 -3.420 2.812) 5.045 11.060 ( 2.717 -5.187 -1.818) 6.131 11.237 ( 0.055 3.287 0.886) 3.404 11.265 ( -3.684 2.670 -1.238) 4.715 11.970 ( -0.099 0.406 4.047) 4.068 12.030 ( -0.013 0.824 0.579) 1.007 12.065 ( -0.588 2.091 0.103) 2.175 12.187 ( -1.821 0.085 -8.962) 9.145 12.527 ( 4.800 -6.059 4.783) 9.090 12.625 ( 2.020 -7.239 -1.526) 7.669 12.903 ( -1.590 7.479 6.926) 10.317 13.099 ( -1.053 3.001 -4.600) 5.593 13.220 ( 2.085 -0.661 2.063) 3.007 13.337 ( -2.683 -3.038 -0.807) 4.132 13.367 ( 1.489 1.485 -2.622) 3.362 13.395 ( -1.963 -0.244 -1.906) 2.747 13.971 ( -2.677 0.613 1.921) 3.351 14.014 ( 0.924 1.321 -1.396) 2.133 14.446 ( 0.573 -3.693 2.494) 4.493 14.520 ( 3.878 -0.930 -3.404) 5.243 14.555 ( 0.605 -0.324 1.776) 1.904 14.602 ( -1.577 -0.466 -2.039) 2.620 15.375 ( 2.887 -0.573 10.199) 10.615 15.616 ( -1.790 0.521 -9.221) 9.407 17.166 ( 0.758 -2.995 5.391) 6.214 17.290 ( 0.183 1.367 -4.579) 4.782 17.530 ( -0.607 6.072 2.932) 6.770 17.602 ( -7.786 0.306 -3.358) 8.485 17.807 ( 0.345 4.476 2.134) 4.971 17.863 ( 0.327 2.700 -2.878) 3.960 18.152 ( 5.526 1.773 1.570) 6.012 18.201 ( -2.764 -4.909 -1.733) 5.895 18.347 ( -0.953 -0.908 0.550) 1.426 18.352 ( -0.107 -0.818 0.384) 0.910 18.541 ( 1.739 -0.988 1.293) 2.382 18.565 ( 1.295 -3.151 -0.691) 3.476 20.516 ( -1.501 0.842 1.211) 2.104 20.551 ( 0.234 1.343 -1.535) 2.054 20.750 ( 1.358 -0.784 0.821) 1.770 20.770 ( 0.148 -1.755 -0.729) 1.906 ======================= Grid point 151 (33/42) ======================= q-point: (-0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -17.388 -3.327 4.126) 18.178 2.527 ( -17.782 -0.944 4.008) 18.253 2.658 ( -10.177 -3.020 -6.220) 12.304 2.722 ( -10.989 1.441 -7.800) 13.553 3.028 ( -9.140 -0.555 8.398) 12.425 3.105 ( 4.276 2.310 9.181) 10.388 3.297 ( 4.099 0.526 -4.541) 6.140 3.354 ( 6.296 4.617 -4.818) 9.175 3.551 ( -6.733 -5.940 1.521) 9.107 3.607 ( -7.948 -4.042 -1.547) 9.050 3.973 ( 1.462 -5.151 0.507) 5.379 4.029 ( 3.749 -1.768 -2.663) 4.926 4.090 ( 6.681 2.745 -1.429) 7.363 4.390 ( 10.407 -9.669 -0.107) 14.206 4.584 ( 4.835 -0.075 8.616) 9.880 4.602 ( 9.626 5.944 -4.738) 12.265 4.716 ( 6.109 2.766 -1.610) 6.897 4.923 ( -5.529 7.429 0.538) 9.276 5.301 ( 8.369 -9.575 0.315) 12.721 5.450 ( 3.344 2.086 -2.604) 4.724 5.535 ( 5.187 -5.301 1.587) 7.585 5.657 ( 12.785 -2.293 1.732) 13.104 5.850 ( -3.001 0.530 -3.070) 4.326 5.874 ( 3.293 -0.959 -0.005) 3.429 6.196 ( -5.680 6.011 2.026) 8.514 6.297 ( -3.600 6.857 -0.088) 7.745 6.733 ( -0.274 -2.183 -2.773) 3.540 6.775 ( 0.090 -0.088 -1.565) 1.570 6.912 ( -7.919 2.900 3.728) 9.221 7.020 ( -5.485 7.296 1.601) 9.268 7.206 ( -0.342 -1.214 1.599) 2.037 7.309 ( -2.459 -3.398 -0.651) 4.244 7.412 ( -0.899 -4.920 3.943) 6.369 7.435 ( -2.398 -2.045 2.896) 4.280 7.593 ( 0.022 3.579 8.249) 8.992 7.671 ( 6.368 7.793 -3.087) 10.527 7.717 ( 4.089 10.093 -6.571) 12.718 7.812 ( 2.502 -0.015 -6.215) 6.700 7.926 ( 4.578 1.690 1.232) 5.033 7.997 ( 9.897 2.520 -7.106) 12.442 8.400 ( 2.851 -7.272 4.902) 9.222 8.461 ( 1.469 -4.299 0.209) 4.548 9.358 ( -3.857 -1.701 3.068) 5.214 9.482 ( -3.103 -4.102 -1.942) 5.498 9.551 ( 0.221 0.465 0.836) 0.981 9.645 ( 3.666 3.345 -2.296) 5.468 9.727 ( -0.549 -5.506 0.676) 5.574 9.886 ( 6.533 -3.154 -0.558) 7.276 10.088 ( -9.715 10.392 0.653) 14.241 10.200 ( -4.447 10.540 0.104) 11.441 10.925 ( -3.832 -7.281 0.845) 8.271 11.037 ( -1.045 -9.801 -0.125) 9.858 11.138 ( -7.032 2.973 -0.523) 7.652 11.286 ( -2.729 3.213 0.343) 4.229 11.943 ( -2.051 -0.927 3.801) 4.417 12.068 ( 1.834 2.342 -0.680) 3.051 12.087 ( 0.835 0.958 0.976) 1.603 12.166 ( -1.530 2.312 -7.679) 8.164 12.489 ( -0.262 -8.378 2.807) 8.840 12.566 ( -0.862 -7.512 -0.532) 7.580 12.905 ( -5.624 5.034 7.178) 10.416 13.082 ( -5.069 -4.374 3.823) 7.710 13.100 ( -4.372 0.565 -7.283) 8.513 13.259 ( -5.108 -2.300 -6.877) 8.870 13.448 ( 5.805 2.660 1.293) 6.515 13.508 ( 6.406 4.328 1.536) 7.882 13.778 ( -14.194 -5.409 2.564) 15.405 13.907 ( -9.032 -5.328 -1.151) 10.549 14.485 ( 4.204 -1.703 0.930) 4.630 14.544 ( 2.321 -0.299 -0.966) 2.532 14.648 ( 5.203 5.007 -0.851) 7.270 14.700 ( 10.347 3.208 -0.765) 10.860 15.449 ( 6.461 -0.742 9.743) 11.714 15.619 ( 0.770 2.224 -9.522) 9.809 17.145 ( -0.387 -1.914 3.914) 4.374 17.291 ( -1.603 -0.441 -3.566) 3.934 17.453 ( -9.792 0.563 -1.077) 9.868 17.557 ( -1.654 2.994 4.756) 5.858 17.761 ( -9.360 -3.650 -2.165) 10.277 17.774 ( -6.935 0.215 -1.664) 7.135 18.166 ( 1.663 0.400 -3.555) 3.945 18.310 ( 7.070 2.568 4.650) 8.843 18.354 ( 4.745 -0.035 0.052) 4.745 18.392 ( 3.952 1.791 -0.133) 4.340 18.577 ( 4.079 -1.460 -0.264) 4.340 18.617 ( 4.805 1.106 0.145) 4.932 20.470 ( -4.062 -0.366 1.274) 4.273 20.545 ( -1.665 -0.165 -1.753) 2.423 20.769 ( 1.204 -0.612 -0.641) 1.495 20.784 ( 2.844 0.003 0.715) 2.932 ======================= Grid point 152 (34/42) ======================= q-point: (-0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -21.325 -5.432 9.382) 23.923 2.157 ( -24.033 -1.614 7.814) 25.323 2.438 ( -12.709 -4.385 -15.023) 20.160 2.464 ( -15.615 -4.092 -11.407) 19.766 2.874 ( -9.409 1.633 13.375) 16.434 3.182 ( 2.362 -0.804 8.539) 8.896 3.321 ( -1.468 -0.096 -1.258) 1.936 3.356 ( -8.416 -4.770 0.560) 9.690 3.453 ( -5.182 -4.055 -2.633) 7.087 3.502 ( 1.324 2.049 -6.101) 6.571 3.793 ( -11.962 -8.560 1.386) 14.774 3.871 ( -12.209 -3.945 -6.231) 14.263 4.404 ( 15.312 4.161 2.802) 16.113 4.559 ( 12.959 -0.722 -2.498) 13.218 4.592 ( 3.508 -0.812 11.880) 12.413 4.740 ( 3.241 5.323 -0.330) 6.241 4.891 ( 7.609 2.364 -12.591) 14.900 4.985 ( 7.507 1.998 -0.910) 7.821 5.408 ( 8.442 1.817 2.883) 9.104 5.567 ( 8.265 6.400 3.324) 10.969 5.674 ( 15.106 -4.292 -0.135) 15.705 5.804 ( 0.652 0.069 -2.906) 2.979 5.871 ( 6.115 0.228 -0.695) 6.159 5.998 ( 13.708 0.590 3.427) 14.142 6.165 ( -2.247 4.947 -0.017) 5.433 6.357 ( 1.412 5.442 0.653) 5.660 6.673 ( -7.402 0.132 -4.929) 8.895 6.723 ( 0.155 -6.575 0.781) 6.623 6.822 ( -5.770 1.884 4.582) 7.605 6.963 ( -5.144 3.193 0.058) 6.055 7.182 ( -1.422 0.633 -0.704) 1.708 7.296 ( 3.386 -3.094 1.997) 5.002 7.359 ( 3.094 -4.883 -0.582) 5.810 7.393 ( 1.375 -3.862 -0.218) 4.106 7.682 ( 0.834 10.419 10.020) 14.480 7.800 ( 1.289 6.384 -0.658) 6.546 7.849 ( 3.358 1.031 -0.713) 3.584 7.945 ( 7.372 6.727 -3.543) 10.590 8.042 ( 4.803 8.001 -0.499) 9.345 8.185 ( 8.895 0.994 -7.742) 11.834 8.366 ( 2.544 -8.821 5.385) 10.644 8.432 ( 0.958 -5.256 -2.135) 5.754 9.293 ( -2.093 -0.977 1.718) 2.879 9.377 ( -4.226 -3.976 -1.431) 5.976 9.534 ( -1.662 -0.996 0.453) 1.990 9.647 ( -1.496 -4.582 0.282) 4.829 9.759 ( 3.673 4.495 -0.029) 5.805 9.968 ( 6.674 -2.975 -0.608) 7.332 10.049 ( -7.640 12.324 0.464) 14.508 10.213 ( -4.247 7.283 0.014) 8.431 10.748 ( -7.714 -9.342 -0.085) 12.116 10.822 ( -9.048 -12.520 -0.006) 15.447 11.089 ( -5.035 3.770 -0.079) 6.291 11.226 ( -6.638 1.201 0.448) 6.760 11.899 ( -2.209 -0.523 3.972) 4.574 12.068 ( -3.176 0.869 -5.416) 6.338 12.135 ( 3.316 0.140 -0.191) 3.325 12.203 ( 1.881 3.724 -1.403) 4.402 12.388 ( -2.482 -6.312 -1.115) 6.873 12.455 ( -3.275 -6.922 0.743) 7.694 12.816 ( -8.137 0.894 7.159) 10.875 12.902 ( -9.388 -2.528 6.245) 11.555 13.076 ( -4.227 -1.717 -11.735) 12.591 13.136 ( -6.271 0.627 -5.318) 8.246 13.441 ( -15.097 -5.763 4.997) 16.915 13.500 ( -3.987 -1.998 1.120) 4.598 13.644 ( -1.438 1.164 2.381) 3.015 13.733 ( 0.023 -1.040 -0.734) 1.273 14.521 ( 3.559 -1.561 3.754) 5.404 14.634 ( 7.069 1.887 -6.225) 9.607 14.828 ( 9.708 5.931 0.876) 11.410 14.917 ( 10.933 3.896 -0.798) 11.633 15.567 ( 8.915 -1.923 8.399) 12.398 15.683 ( 3.775 2.733 -7.819) 9.102 17.101 ( -4.223 -2.240 1.207) 4.930 17.191 ( -9.230 -2.420 -2.248) 9.803 17.294 ( -10.487 2.267 0.487) 10.740 17.528 ( -4.494 -2.915 2.637) 5.970 17.562 ( -5.497 -1.777 1.075) 5.876 17.640 ( -7.491 -1.625 -3.295) 8.344 18.258 ( 5.747 4.494 -2.954) 7.871 18.362 ( 3.343 -1.371 3.547) 5.064 18.480 ( 4.046 2.296 -0.589) 4.690 18.560 ( 11.999 3.318 1.264) 12.513 18.636 ( 3.656 -0.498 -0.317) 3.703 18.724 ( 6.623 1.301 -0.366) 6.760 20.375 ( -6.502 -1.007 2.046) 6.890 20.490 ( -3.975 -1.723 -3.534) 5.591 20.799 ( 2.293 0.717 0.587) 2.473 20.842 ( 3.898 0.384 -0.060) 3.917 ======================= Grid point 153 (35/42) ======================= q-point: (-0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -24.308 -1.872 12.607) 27.447 1.733 ( -23.869 -1.492 15.726) 28.623 2.088 ( -18.316 -8.923 -17.022) 26.549 2.209 ( -14.217 -2.525 -18.780) 23.689 2.760 ( -7.221 4.167 17.337) 19.237 3.034 ( -32.031 -9.044 4.459) 33.580 3.129 ( -9.686 -2.467 10.114) 14.219 3.198 ( -12.023 -5.304 -4.843) 14.005 3.253 ( -9.347 -2.115 -3.421) 10.176 3.352 ( -5.938 -1.610 -9.552) 11.362 3.649 ( 2.635 -0.327 3.974) 4.780 3.817 ( 3.672 4.021 -10.380) 11.721 4.580 ( 5.813 1.886 6.517) 8.934 4.736 ( 11.162 -1.930 2.847) 11.680 4.769 ( 10.146 0.836 -2.343) 10.447 4.916 ( 9.482 8.241 4.938) 13.498 5.006 ( 6.919 0.481 -13.230) 14.938 5.165 ( 12.742 -2.399 -2.867) 13.279 5.558 ( 3.962 5.243 5.990) 8.891 5.766 ( 3.583 -1.780 -0.479) 4.029 5.820 ( 8.150 2.169 8.184) 11.752 5.920 ( 7.200 3.413 -0.820) 8.010 5.977 ( 11.377 -0.105 -0.204) 11.380 6.093 ( 2.477 -5.094 -1.161) 5.782 6.340 ( 3.728 1.984 -1.330) 4.428 6.402 ( 4.232 5.793 -2.235) 7.514 6.536 ( -4.383 1.096 1.020) 4.631 6.723 ( 6.548 -6.144 -1.743) 9.147 6.753 ( -2.576 3.642 6.596) 7.963 6.945 ( -1.762 0.369 -4.389) 4.744 7.212 ( 4.135 4.452 -1.401) 6.236 7.347 ( 5.518 -0.943 3.933) 6.842 7.399 ( 7.952 -6.030 -2.955) 10.408 7.447 ( 6.848 -0.892 -3.169) 7.598 7.782 ( -1.176 8.603 10.839) 13.888 7.858 ( 0.498 5.373 2.823) 6.090 7.920 ( 3.845 2.134 9.386) 10.365 8.084 ( 3.534 2.487 -0.327) 4.334 8.199 ( 0.965 8.491 -1.182) 8.627 8.233 ( 0.079 -5.204 -3.006) 6.010 8.300 ( -1.787 -7.345 4.335) 8.714 8.484 ( 12.558 -3.483 -13.179) 18.534 9.280 ( 0.939 0.553 0.241) 1.116 9.294 ( -1.687 -1.271 1.133) 2.397 9.494 ( -1.658 -0.525 -0.036) 1.740 9.574 ( -0.827 -6.082 -0.258) 6.143 9.865 ( 1.456 8.271 1.932) 8.617 10.043 ( 5.554 -3.680 -1.597) 6.851 10.070 ( -5.317 13.869 0.264) 14.855 10.199 ( -3.419 2.673 -0.155) 4.343 10.492 ( -11.088 -9.718 -0.137) 14.744 10.538 ( -9.986 -12.330 0.116) 15.867 11.017 ( -8.416 3.997 0.246) 9.321 11.099 ( -8.383 -1.026 -0.183) 8.448 11.859 ( -2.448 -0.019 4.607) 5.217 12.012 ( -3.739 0.093 -7.479) 8.362 12.147 ( -1.385 -2.286 0.650) 2.751 12.235 ( -1.284 -3.038 -2.190) 3.959 12.341 ( 1.332 3.130 -1.568) 3.746 12.375 ( 0.264 -2.329 1.003) 2.550 12.666 ( -7.973 -3.316 5.439) 10.205 12.723 ( -12.519 3.359 3.146) 13.338 12.868 ( -12.893 -4.394 -2.420) 13.834 13.035 ( -11.981 -7.509 -5.266) 15.089 13.186 ( -6.682 4.940 2.402) 8.650 13.342 ( -7.287 -6.912 -0.868) 10.082 13.566 ( -8.174 4.108 5.969) 10.923 13.783 ( 0.554 -1.862 -5.065) 5.424 14.604 ( 8.023 0.032 10.219) 12.993 14.825 ( 12.686 3.093 -9.329) 16.047 15.074 ( 13.040 4.428 0.978) 13.806 15.139 ( 11.514 4.343 -2.249) 12.510 15.702 ( 10.476 -3.811 7.358) 13.357 15.787 ( 5.340 2.372 -4.734) 7.521 16.856 ( -20.107 -3.522 3.567) 20.723 16.986 ( -11.959 -1.760 -7.707) 14.335 17.208 ( -4.762 5.772 0.332) 7.490 17.395 ( -4.756 -4.894 1.185) 6.927 17.506 ( -3.138 -2.386 0.883) 4.040 17.530 ( -3.136 -1.164 -0.912) 3.467 18.405 ( 5.243 1.103 0.855) 5.426 18.421 ( 5.956 1.614 0.429) 6.186 18.561 ( 2.901 2.749 0.862) 4.088 18.672 ( 2.792 -1.864 -2.129) 3.975 18.795 ( 11.288 3.192 1.894) 11.882 18.863 ( 8.544 0.817 -1.005) 8.642 20.230 ( -9.928 -1.027 3.044) 10.434 20.375 ( -7.399 -2.646 -6.887) 10.449 20.860 ( 3.753 1.470 2.679) 4.840 20.923 ( 5.374 0.406 -1.146) 5.509 ======================= Grid point 158 (36/42) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 12.185 18.237 13.148) 25.572 2.176 ( 15.274 21.517 6.932) 27.282 2.341 ( 5.159 19.331 -12.858) 23.783 2.422 ( 6.617 11.796 -14.200) 19.611 2.946 ( 8.244 4.635 13.129) 16.181 3.144 ( -1.344 2.078 4.181) 4.859 3.290 ( 0.660 5.636 0.809) 5.732 3.350 ( 6.106 4.415 -1.685) 7.721 3.373 ( -0.110 5.268 0.381) 5.283 3.522 ( 4.431 6.391 -4.927) 9.206 3.698 ( 3.949 7.802 2.410) 9.070 3.857 ( 4.471 4.449 -9.837) 11.685 4.445 ( -6.490 -11.830 3.835) 14.028 4.526 ( -9.047 -10.268 1.174) 13.736 4.580 ( -4.831 -6.820 8.513) 11.930 4.840 ( 0.222 -6.690 3.319) 7.471 4.915 ( -2.271 -4.678 -13.583) 14.545 4.961 ( -4.730 -3.665 -5.047) 7.828 5.486 ( -2.569 -14.813 3.293) 15.391 5.577 ( -9.864 -9.775 -1.927) 14.021 5.682 ( -1.480 -11.343 3.606) 11.995 5.747 ( -10.423 -4.980 -0.145) 11.552 5.912 ( -3.650 -4.092 1.737) 5.752 5.946 ( 1.271 -1.040 -0.516) 1.721 6.334 ( 4.393 -5.149 2.729) 7.297 6.349 ( -5.521 -2.824 2.214) 6.585 6.600 ( -3.201 6.091 0.492) 6.899 6.677 ( 4.016 5.498 -4.737) 8.294 6.877 ( 4.883 5.645 6.800) 10.097 7.005 ( 3.752 2.635 -1.746) 4.906 7.220 ( -3.640 -1.256 -3.233) 5.027 7.235 ( 2.591 0.591 -4.094) 4.881 7.299 ( -0.984 -1.658 1.750) 2.604 7.364 ( -0.499 -3.448 -3.207) 4.735 7.808 ( -3.532 -5.653 9.221) 11.378 7.832 ( 0.021 -1.065 7.247) 7.325 7.885 ( -1.531 -4.394 -1.143) 4.791 8.082 ( 2.975 -6.378 -2.437) 7.448 8.150 ( -5.766 1.226 2.267) 6.315 8.169 ( -9.078 -3.479 0.852) 9.759 8.274 ( 7.455 -6.419 -3.369) 10.399 8.281 ( -8.680 -1.167 -6.212) 10.738 9.291 ( 1.956 1.230 1.290) 2.647 9.332 ( 1.432 3.162 -1.157) 3.659 9.552 ( 3.936 0.819 0.544) 4.057 9.567 ( -0.885 3.877 -0.234) 3.983 9.832 ( -4.412 -3.914 3.671) 6.947 9.921 ( -2.027 -6.304 -3.321) 7.408 10.254 ( 3.194 4.570 0.866) 5.642 10.275 ( 2.499 4.817 -0.769) 5.481 10.630 ( 4.486 9.852 0.648) 10.844 10.647 ( 5.938 8.749 -0.569) 10.589 11.183 ( 3.885 5.082 0.303) 6.404 11.192 ( 2.098 4.702 -0.426) 5.167 11.914 ( 1.406 3.443 4.925) 6.171 12.037 ( 0.079 0.339 -4.005) 4.020 12.171 ( 1.163 -0.140 0.458) 1.258 12.220 ( -0.527 0.932 -3.168) 3.345 12.334 ( -3.754 2.047 0.426) 4.298 12.399 ( 6.565 -2.189 -4.873) 8.464 12.767 ( 1.438 7.212 10.018) 12.427 12.921 ( 4.327 6.782 6.417) 10.291 13.022 ( 2.492 10.167 -6.486) 12.314 13.145 ( 2.601 6.820 -6.252) 9.611 13.416 ( 10.671 9.849 3.198) 14.869 13.468 ( 5.397 8.868 -2.886) 10.775 13.670 ( 1.333 -0.694 3.307) 3.633 13.720 ( -2.775 -2.374 -1.468) 3.936 14.503 ( -2.226 -3.418 5.280) 6.672 14.656 ( -4.081 -7.765 -7.065) 11.263 14.886 ( -6.015 -10.070 3.345) 12.197 14.970 ( -5.214 -10.266 -4.141) 12.236 15.506 ( -6.967 -5.059 9.962) 13.167 15.725 ( -0.725 -4.551 -7.707) 8.979 17.082 ( 3.453 4.979 1.507) 6.244 17.174 ( 6.458 8.488 -6.192) 12.332 17.375 ( 8.919 5.383 4.020) 11.166 17.442 ( -0.842 8.343 0.927) 8.437 17.556 ( 2.395 3.993 2.291) 5.189 17.603 ( 2.440 8.148 -3.054) 9.037 18.311 ( -5.639 -2.402 1.859) 6.405 18.349 ( 0.909 -6.865 -1.043) 7.003 18.514 ( -2.621 -5.218 0.848) 5.900 18.556 ( -5.220 -6.064 -2.024) 8.253 18.668 ( -1.263 -7.360 2.705) 7.943 18.722 ( -4.986 -5.617 -1.759) 7.714 20.375 ( 4.424 5.821 2.632) 7.771 20.459 ( 1.452 4.898 -4.166) 6.592 20.816 ( -0.676 -3.048 1.190) 3.341 20.838 ( -2.832 -3.442 -0.661) 4.506 ======================= Grid point 159 (37/42) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 12.586 15.503 7.776) 21.429 2.569 ( 6.367 14.285 -5.090) 16.447 2.625 ( 10.540 17.590 -1.357) 20.551 2.681 ( 7.540 16.420 -5.819) 18.983 3.047 ( -0.574 0.940 9.430) 9.494 3.170 ( 2.274 2.823 5.380) 6.487 3.313 ( -2.359 3.533 -1.102) 4.388 3.376 ( -0.567 0.433 -0.799) 1.072 3.485 ( 1.086 -4.140 -2.453) 4.933 3.573 ( 8.390 0.561 -8.150) 11.710 3.833 ( 3.723 4.185 4.375) 7.107 3.968 ( 3.875 -0.091 -5.898) 7.057 4.191 ( -12.216 -14.020 -0.855) 18.615 4.218 ( -4.958 -12.249 3.004) 13.552 4.478 ( -4.389 -3.870 11.585) 12.979 4.773 ( -6.266 -1.449 1.452) 6.593 4.848 ( 0.384 -4.700 -11.782) 12.691 4.945 ( 0.754 1.482 -1.193) 2.046 5.207 ( -9.087 -17.580 -2.563) 19.955 5.295 ( -1.007 -19.268 0.371) 19.298 5.527 ( -10.633 -0.725 1.560) 10.771 5.654 ( 2.850 -1.417 3.386) 4.647 5.846 ( -0.606 -3.867 4.480) 5.949 5.957 ( -2.312 -4.576 -4.158) 6.601 6.293 ( 0.559 7.067 -1.624) 7.273 6.362 ( 3.500 -0.387 -0.764) 3.604 6.638 ( -0.744 7.094 5.578) 9.055 6.783 ( 0.757 7.069 -3.466) 7.909 7.011 ( 2.864 8.702 3.937) 9.971 7.101 ( 2.409 5.679 0.445) 6.185 7.226 ( 1.279 1.621 -0.852) 2.233 7.270 ( 0.396 3.817 -1.945) 4.302 7.349 ( 6.184 -1.462 -1.096) 6.448 7.361 ( 3.150 0.788 -1.282) 3.491 7.670 ( -5.887 -5.577 3.897) 8.997 7.763 ( -6.342 -3.955 1.240) 7.576 7.791 ( -2.817 -2.573 3.888) 5.447 7.946 ( -7.045 -6.990 -7.842) 12.648 8.004 ( -7.963 -0.578 1.983) 8.226 8.060 ( -12.096 0.851 -3.836) 12.718 8.203 ( 6.047 -7.148 4.599) 10.431 8.328 ( 6.955 -8.184 -2.538) 11.035 9.364 ( 4.360 2.108 1.695) 5.130 9.396 ( 2.635 2.671 -1.076) 3.903 9.588 ( -0.902 2.276 -0.376) 2.477 9.622 ( 3.955 -0.567 1.026) 4.125 9.701 ( -6.583 -1.873 1.354) 6.976 9.841 ( -0.219 -7.239 -1.866) 7.478 10.303 ( -4.148 12.557 0.180) 13.226 10.369 ( -0.604 7.985 -0.049) 8.008 10.794 ( 6.616 3.435 0.627) 7.481 10.848 ( 10.210 1.175 -0.329) 10.282 11.210 ( -2.191 5.200 0.107) 5.644 11.298 ( 3.756 0.901 -0.454) 3.889 11.957 ( -0.707 4.712 3.978) 6.207 12.049 ( 1.568 -0.824 0.614) 1.875 12.151 ( -3.294 1.305 -1.118) 3.715 12.236 ( 0.098 -0.387 -6.227) 6.239 12.321 ( 2.118 0.100 2.491) 3.271 12.482 ( 6.457 -4.902 -4.463) 9.254 12.852 ( 2.273 5.091 10.518) 11.904 13.034 ( 1.854 7.735 6.017) 9.973 13.142 ( 2.932 5.015 -8.010) 9.895 13.251 ( 2.682 4.916 -4.373) 7.105 13.531 ( -3.262 -5.367 -1.023) 6.364 13.553 ( -3.205 -5.385 -2.325) 6.684 13.730 ( 9.549 9.411 4.306) 14.081 13.796 ( 8.057 9.689 -2.258) 12.802 14.452 ( -1.145 -2.251 3.475) 4.296 14.553 ( -1.504 -4.109 -3.563) 5.642 14.681 ( -7.636 -8.664 3.173) 11.977 14.781 ( -6.412 -7.855 -3.535) 10.738 15.382 ( -3.167 -3.190 10.847) 11.742 15.678 ( -1.058 -2.079 -10.034) 10.302 17.126 ( 0.828 -0.526 5.306) 5.396 17.287 ( 1.669 1.793 -6.471) 6.919 17.530 ( 0.741 8.655 -0.647) 8.710 17.579 ( 7.530 5.202 3.020) 9.638 17.687 ( 5.757 9.545 2.595) 11.445 17.753 ( 3.967 9.350 -3.762) 10.831 18.185 ( -6.579 -1.685 1.117) 6.883 18.301 ( -0.508 -6.412 1.035) 6.515 18.376 ( -3.612 -5.160 0.461) 6.315 18.441 ( -2.716 -6.446 -1.942) 7.259 18.582 ( -2.133 -5.065 1.680) 5.747 18.599 ( -3.727 -4.840 -1.222) 6.230 20.485 ( 3.077 3.830 1.950) 5.286 20.521 ( 1.225 3.460 -2.446) 4.411 20.766 ( -2.144 -2.712 -0.158) 3.460 20.776 ( -0.565 -2.952 0.275) 3.018 ======================= Grid point 160 (38/42) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.715 ( 8.392 11.742 2.666) 14.677 2.763 ( 4.411 8.418 -3.072) 9.987 2.866 ( -3.718 12.841 2.006) 13.518 2.906 ( -1.532 11.907 -3.602) 12.533 3.027 ( 1.012 1.285 7.451) 7.629 3.205 ( -1.744 2.301 -0.595) 2.948 3.279 ( -4.108 -3.567 -0.737) 5.490 3.319 ( -2.440 4.909 -3.553) 6.533 3.540 ( 7.831 0.633 0.766) 7.894 3.699 ( 8.029 -4.170 -1.289) 9.139 3.784 ( -6.289 -11.922 -0.983) 13.514 3.863 ( -6.228 -12.555 2.950) 14.322 4.103 ( 10.495 7.374 -1.189) 12.881 4.239 ( 11.263 0.728 -1.845) 11.436 4.327 ( -7.830 -5.398 3.615) 10.174 4.537 ( -13.506 -9.269 -2.498) 16.570 4.781 ( -7.030 -7.843 8.770) 13.706 4.906 ( 5.107 -2.572 -7.417) 9.365 5.117 ( 10.999 -12.679 -3.048) 17.059 5.173 ( 0.581 -7.249 0.463) 7.287 5.406 ( -2.531 1.198 3.647) 4.598 5.672 ( -5.386 -1.970 -4.067) 7.031 5.775 ( 2.469 -5.512 3.171) 6.821 5.855 ( 1.179 -7.857 -1.673) 8.119 6.428 ( -2.033 7.695 0.668) 7.987 6.446 ( 1.327 12.278 -2.942) 12.695 6.699 ( -0.033 6.646 6.230) 9.110 6.837 ( -2.648 7.389 -3.281) 8.507 7.121 ( -0.005 7.857 1.929) 8.090 7.162 ( -4.110 6.006 1.506) 7.432 7.233 ( 1.603 -0.475 3.279) 3.680 7.360 ( -0.060 5.540 -5.473) 7.788 7.398 ( 3.721 3.013 2.141) 5.245 7.471 ( 0.939 1.484 3.583) 3.990 7.551 ( 0.944 -2.604 0.278) 2.784 7.633 ( -4.105 -2.732 -0.598) 4.967 7.720 ( -0.958 -5.826 -0.324) 5.913 7.787 ( -4.491 -4.389 -4.409) 7.673 7.861 ( -7.138 1.271 -0.851) 7.300 7.901 ( -5.419 -0.106 -4.561) 7.084 8.235 ( 6.767 -9.471 6.160) 13.170 8.351 ( 5.349 -8.304 -2.760) 10.256 9.457 ( 3.512 0.130 0.871) 3.621 9.467 ( 3.030 3.297 2.711) 5.235 9.548 ( -4.546 -0.442 0.079) 4.568 9.604 ( -2.679 -0.027 -2.384) 3.586 9.685 ( 4.157 -1.498 0.883) 4.506 9.772 ( -0.245 -6.060 -1.260) 6.195 10.364 ( -4.773 14.333 0.159) 15.107 10.402 ( -6.542 11.001 0.013) 12.799 10.902 ( 5.302 -1.892 1.171) 5.750 10.958 ( 4.617 -4.685 -0.822) 6.629 11.244 ( 1.330 3.178 1.054) 3.603 11.325 ( -0.889 0.140 -1.463) 1.717 11.991 ( -0.440 4.042 4.334) 5.943 12.062 ( -0.908 1.738 2.386) 3.089 12.111 ( -2.663 1.877 -1.754) 3.700 12.213 ( -1.410 -0.057 -7.514) 7.646 12.383 ( 5.812 -3.932 3.561) 7.869 12.504 ( 3.374 -7.198 -2.340) 8.287 12.951 ( 3.062 5.149 7.409) 9.528 13.133 ( 0.995 6.216 6.585) 9.110 13.210 ( 1.046 1.218 -7.855) 8.017 13.315 ( 1.512 -0.424 0.581) 1.675 13.396 ( -4.301 -2.790 -5.857) 7.783 13.422 ( -3.829 -5.077 -2.316) 6.768 13.969 ( 6.477 8.045 1.613) 10.453 14.016 ( 4.437 7.264 -0.835) 8.553 14.412 ( -0.231 -2.905 1.231) 3.164 14.475 ( -3.952 -7.617 0.860) 8.624 14.528 ( 0.435 -2.291 0.607) 2.409 14.627 ( -3.795 -4.942 -2.438) 6.691 15.337 ( 0.325 -1.508 11.712) 11.813 15.649 ( -1.368 0.291 -11.846) 11.929 17.125 ( 0.761 -1.856 7.817) 8.070 17.307 ( -0.274 1.359 -6.729) 6.870 17.613 ( -0.640 7.854 1.102) 7.956 17.702 ( -0.133 3.922 -0.679) 3.983 17.846 ( 1.923 6.749 -0.799) 7.063 17.886 ( 2.080 6.924 -1.049) 7.305 18.105 ( -0.086 -0.336 1.766) 1.799 18.193 ( -2.942 -5.729 1.500) 6.613 18.335 ( 0.378 -2.589 -0.339) 2.638 18.353 ( -1.222 -3.433 -1.269) 3.859 18.507 ( -0.454 -6.007 0.742) 6.070 18.511 ( -0.667 -2.889 -0.272) 2.978 20.546 ( 0.170 2.691 1.197) 2.950 20.565 ( 0.352 2.679 -1.408) 3.047 20.721 ( 0.072 -2.343 0.414) 2.380 20.743 ( 0.150 -2.972 -0.349) 2.997 ======================= Grid point 161 (39/42) ======================= q-point: (-0.55 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( -15.487 -0.951 2.271) 15.681 2.771 ( -8.867 0.275 -1.939) 9.081 2.850 ( -10.877 8.730 0.977) 13.981 2.924 ( -6.140 6.721 -2.286) 9.386 3.069 ( 0.221 1.441 5.724) 5.906 3.184 ( -6.764 1.419 2.518) 7.355 3.229 ( 3.901 2.526 -3.706) 5.944 3.341 ( -0.168 4.454 -2.287) 5.010 3.581 ( -3.537 -5.868 -1.556) 7.026 3.644 ( -3.882 -9.355 1.959) 10.316 3.770 ( 15.362 1.398 -0.004) 15.426 3.886 ( 13.028 -2.746 1.217) 13.370 4.116 ( -6.974 -3.511 -2.190) 8.110 4.222 ( -7.069 -11.627 -0.298) 13.610 4.445 ( 14.507 9.506 -2.039) 17.463 4.482 ( 10.088 2.229 -0.064) 10.332 4.670 ( 2.194 -0.574 7.120) 7.473 4.983 ( 11.549 -16.577 -1.690) 20.274 5.093 ( -5.527 6.455 -4.439) 9.587 5.212 ( 11.669 -12.316 -1.987) 17.082 5.496 ( 7.899 5.670 8.333) 12.806 5.533 ( -3.547 -1.180 -6.265) 7.295 5.763 ( 3.353 -8.716 3.134) 9.850 5.885 ( 4.311 0.223 -2.022) 4.767 6.382 ( -9.103 4.875 1.035) 10.378 6.472 ( -9.583 5.648 -2.042) 11.309 6.735 ( -2.483 3.280 4.671) 6.225 6.848 ( -3.425 6.096 -4.364) 8.242 7.088 ( -6.867 1.820 2.420) 7.505 7.179 ( -3.831 8.276 0.824) 9.157 7.223 ( -2.716 2.311 4.350) 5.625 7.334 ( -3.417 -3.235 -2.462) 5.311 7.417 ( -4.216 -3.138 0.163) 5.258 7.489 ( -6.074 -2.515 3.332) 7.371 7.546 ( 6.444 3.522 -0.712) 7.379 7.653 ( 2.933 4.236 2.859) 5.892 7.703 ( 5.252 -0.751 -4.405) 6.896 7.773 ( 5.664 0.590 -3.745) 6.816 7.875 ( 2.493 5.749 -1.813) 6.523 7.899 ( 4.189 3.885 -3.372) 6.634 8.241 ( 5.481 -10.587 6.187) 13.431 8.348 ( 4.320 -8.956 -3.087) 10.411 9.421 ( -4.778 -0.970 3.235) 5.851 9.492 ( -2.082 -2.847 -0.222) 3.534 9.545 ( 1.572 2.556 1.087) 3.192 9.618 ( 3.010 3.517 -2.674) 5.346 9.703 ( -0.959 -3.711 0.147) 3.836 9.752 ( 5.313 -3.585 -0.534) 6.431 10.365 ( -10.086 11.215 0.104) 15.084 10.399 ( -6.389 11.224 0.173) 12.917 10.912 ( -0.692 -5.167 0.972) 5.303 10.950 ( 1.580 -6.667 -0.692) 6.886 11.251 ( -3.118 0.330 0.899) 3.261 11.318 ( -0.092 0.990 -1.287) 1.627 11.996 ( -3.227 2.444 4.532) 6.077 12.061 ( -0.272 1.518 1.928) 2.469 12.108 ( -0.490 2.587 -1.352) 2.960 12.208 ( -0.344 2.035 -7.412) 7.694 12.402 ( 2.116 -6.000 3.293) 7.164 12.474 ( 1.933 -7.694 -1.382) 8.052 13.008 ( -1.936 1.625 6.937) 7.383 13.133 ( -4.477 0.979 2.612) 5.275 13.169 ( -3.851 -2.226 -1.517) 4.699 13.306 ( -0.546 -0.031 -3.949) 3.986 13.383 ( 3.118 1.873 -3.742) 5.219 13.435 ( 5.680 1.312 -2.471) 6.332 13.963 ( -11.401 -0.932 1.890) 11.594 14.015 ( -7.846 -0.925 -0.718) 7.933 14.399 ( 4.626 -0.269 1.297) 4.812 14.498 ( 3.163 -3.399 0.888) 4.727 14.552 ( 8.242 1.256 -0.269) 8.341 14.598 ( 3.428 0.157 -1.924) 3.934 15.355 ( 3.269 -1.279 11.790) 12.302 15.639 ( -0.719 1.497 -12.419) 12.529 17.122 ( 0.803 -1.456 7.919) 8.092 17.310 ( -0.776 0.761 -6.903) 6.988 17.627 ( -7.609 2.931 0.331) 8.161 17.648 ( -5.330 4.334 2.057) 7.171 17.881 ( -6.534 0.058 -2.512) 7.000 17.888 ( -4.182 2.216 -1.084) 4.855 18.134 ( 1.605 -0.766 0.272) 1.799 18.195 ( 7.735 2.210 1.592) 8.200 18.312 ( -0.488 -3.050 0.397) 3.114 18.339 ( 3.040 -0.660 -0.165) 3.115 18.492 ( 3.769 -2.587 0.586) 4.608 18.534 ( 4.856 -0.875 -0.543) 4.964 20.536 ( -3.308 1.172 0.923) 3.629 20.576 ( -1.532 1.097 -1.150) 2.208 20.730 ( 2.767 -1.217 0.633) 3.088 20.734 ( 1.687 -1.672 -0.567) 2.442 ======================= Grid point 162 (40/42) ======================= q-point: (-0.45 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( -20.180 -1.473 7.249) 21.493 2.564 ( -20.366 2.598 0.898) 20.550 2.617 ( -14.408 -0.927 -7.584) 16.309 2.723 ( -17.869 -1.640 -6.268) 19.007 3.054 ( -7.324 1.447 8.617) 11.401 3.137 ( 1.448 1.597 8.637) 8.902 3.315 ( 1.935 2.034 -2.671) 3.875 3.434 ( -4.179 -2.360 0.872) 4.878 3.442 ( 4.210 0.534 -3.099) 5.255 3.534 ( -5.413 -2.808 -6.332) 8.791 3.865 ( -5.376 -4.584 2.919) 7.644 3.957 ( -1.162 -2.857 -5.669) 6.454 4.165 ( 15.126 3.445 1.119) 15.553 4.267 ( 17.586 -3.723 -0.551) 17.984 4.528 ( 3.098 -3.352 13.210) 13.976 4.759 ( 8.166 6.930 -10.472) 14.979 4.791 ( 2.436 4.230 0.950) 4.973 4.941 ( 0.407 -3.546 -1.725) 3.964 5.196 ( 13.863 0.641 -2.564) 14.113 5.333 ( 17.610 -10.309 -1.745) 20.480 5.548 ( 1.719 5.874 0.683) 6.159 5.683 ( 7.336 -2.894 1.623) 8.051 5.794 ( 7.979 0.089 6.575) 10.339 5.932 ( -0.779 3.169 -2.025) 3.841 6.266 ( -6.782 3.426 -0.351) 7.606 6.369 ( -1.900 -1.056 -0.500) 2.231 6.689 ( -3.417 -1.356 3.026) 4.761 6.813 ( -6.488 1.022 -6.037) 8.921 6.970 ( -8.309 3.387 4.597) 10.082 7.124 ( -9.947 1.970 1.431) 10.241 7.223 ( -1.771 2.928 0.971) 3.557 7.247 ( -1.472 -1.195 -2.276) 2.963 7.303 ( -0.974 -4.050 0.343) 4.180 7.385 ( -3.456 -2.995 -2.377) 5.154 7.685 ( 6.323 3.077 7.934) 10.602 7.769 ( 6.440 -0.009 -2.703) 6.984 7.795 ( 3.961 1.921 1.803) 4.757 7.917 ( 6.755 6.693 -3.959) 10.301 8.031 ( 8.196 2.458 -2.801) 9.004 8.065 ( 5.668 12.500 -2.069) 13.880 8.214 ( 3.812 -10.942 5.528) 12.838 8.322 ( 3.315 -9.812 -3.676) 10.990 9.339 ( -4.083 -0.068 2.356) 4.714 9.412 ( -3.777 -2.565 -1.270) 4.739 9.568 ( -1.277 1.794 0.707) 2.312 9.641 ( -2.105 -3.473 -0.040) 4.061 9.727 ( 4.987 3.800 0.730) 6.312 9.821 ( 6.646 -3.130 -1.456) 7.489 10.303 ( -8.940 9.975 0.213) 13.397 10.366 ( -6.573 4.678 0.105) 8.069 10.806 ( -6.330 -3.914 0.039) 7.442 10.839 ( -5.939 -8.620 0.078) 10.468 11.215 ( -3.739 4.546 -0.112) 5.888 11.291 ( -2.538 -2.567 -0.106) 3.611 11.959 ( -3.546 2.558 3.879) 5.845 12.059 ( 0.260 -2.802 0.692) 2.898 12.140 ( 0.356 3.678 -1.251) 3.901 12.226 ( -0.288 1.762 -4.977) 5.288 12.371 ( -0.131 -1.790 -0.309) 1.821 12.414 ( -0.666 -6.595 -0.594) 6.655 12.910 ( -5.984 -4.436 8.885) 11.595 13.044 ( -7.140 1.166 4.615) 8.581 13.126 ( -2.548 1.443 -7.065) 7.647 13.246 ( -5.895 0.287 -5.951) 8.381 13.501 ( 4.475 2.600 -0.164) 5.178 13.554 ( 5.763 0.550 -1.120) 5.897 13.707 ( -14.730 -1.393 4.157) 15.369 13.813 ( -10.705 -3.576 -1.845) 11.436 14.461 ( 2.068 -0.860 3.453) 4.115 14.541 ( 5.352 0.223 -3.158) 6.218 14.702 ( 9.354 0.429 2.890) 9.799 14.764 ( 11.122 2.964 -3.709) 12.093 15.417 ( 5.964 -2.179 10.930) 12.641 15.660 ( 1.510 1.664 -11.105) 11.330 17.122 ( -0.041 -0.432 5.782) 5.799 17.281 ( -3.596 -0.242 -6.572) 7.495 17.500 ( -9.749 3.782 1.683) 10.591 17.584 ( -5.144 -0.871 2.380) 5.734 17.697 ( -11.733 -1.931 0.747) 11.914 17.775 ( -9.349 -0.738 -3.848) 10.137 18.209 ( 5.167 3.385 0.100) 6.178 18.293 ( 2.084 -3.137 0.993) 3.895 18.381 ( 11.113 1.289 1.377) 11.272 18.415 ( 5.473 0.830 -1.450) 5.722 18.561 ( 5.014 0.365 1.253) 5.181 18.622 ( 6.074 -0.642 -0.973) 6.185 20.472 ( -5.157 0.489 1.538) 5.403 20.537 ( -3.177 -0.733 -2.152) 3.907 20.763 ( 2.523 0.200 0.020) 2.531 20.777 ( 3.633 -0.576 0.185) 3.683 ======================= Grid point 170 (41/42) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.691 ( 9.096 14.672 2.874) 17.501 2.767 ( 4.497 8.380 -3.548) 10.151 2.967 ( 9.632 15.122 1.559) 17.996 3.003 ( 7.575 10.046 0.080) 12.582 3.039 ( -3.087 3.056 3.799) 5.770 3.197 ( -0.839 -4.185 -5.637) 7.070 3.309 ( 3.143 1.013 5.209) 6.168 3.409 ( -0.091 2.442 -2.149) 3.254 3.468 ( -1.484 2.769 2.321) 3.906 3.544 ( 1.631 -2.824 -3.650) 4.895 3.822 ( -7.443 -13.183 0.634) 15.152 3.832 ( -6.937 -11.500 -0.166) 13.431 4.071 ( 1.531 6.813 0.071) 6.984 4.110 ( 5.118 4.532 -2.683) 7.344 4.418 ( -6.907 -1.954 10.445) 12.674 4.664 ( 3.483 -14.258 -7.905) 16.671 4.708 ( -15.112 -5.537 0.412) 16.100 4.780 ( -0.566 -21.453 -3.385) 21.726 5.005 ( -7.825 1.281 5.357) 9.569 5.158 ( 2.750 4.358 -6.979) 8.676 5.525 ( -8.403 -0.540 4.481) 9.538 5.606 ( 6.376 -2.899 -1.871) 7.250 5.676 ( 0.070 -10.628 7.357) 12.926 5.846 ( -8.151 -6.515 -5.981) 12.028 6.447 ( 6.282 7.019 0.079) 9.420 6.511 ( 6.336 13.034 -3.917) 15.013 6.768 ( 1.876 6.367 7.919) 10.333 6.925 ( 2.605 5.833 -4.740) 7.955 7.108 ( 4.199 2.682 5.930) 7.746 7.241 ( -2.494 0.494 3.373) 4.224 7.282 ( 1.041 7.858 -4.335) 9.034 7.319 ( 6.152 0.365 -0.486) 6.182 7.372 ( 5.639 6.828 1.123) 8.927 7.432 ( 2.202 4.453 -3.204) 5.911 7.581 ( -4.363 -3.276 3.385) 6.421 7.659 ( -3.181 -4.383 -1.458) 5.609 7.720 ( -3.328 -4.264 1.224) 5.546 7.784 ( -3.907 -9.435 -5.543) 11.620 7.984 ( -1.757 -4.880 2.712) 5.853 8.042 ( -4.055 -2.455 2.897) 5.555 8.068 ( -2.103 -5.953 -0.367) 6.325 8.181 ( -2.137 -4.169 -5.328) 7.095 9.417 ( 2.666 2.968 2.521) 4.719 9.458 ( 1.623 3.786 0.688) 4.176 9.603 ( 2.855 -1.634 0.440) 3.319 9.628 ( -3.663 1.786 -0.407) 4.095 9.664 ( -3.233 -2.056 0.782) 3.911 9.712 ( -0.564 -5.550 -2.375) 6.063 10.516 ( 4.520 7.875 0.312) 9.085 10.521 ( 5.117 8.596 -0.048) 10.003 10.838 ( -1.003 0.336 0.752) 1.298 10.859 ( 0.872 -0.367 -0.840) 1.266 11.259 ( -0.320 0.076 2.091) 2.117 11.317 ( 1.311 1.642 -2.517) 3.279 12.043 ( 1.311 3.490 3.677) 5.237 12.060 ( 1.802 1.960 2.520) 3.666 12.160 ( 0.318 -0.187 -1.001) 1.067 12.227 ( -0.183 -0.714 -4.837) 4.893 12.324 ( -3.444 -0.343 2.253) 4.130 12.398 ( 1.726 -2.763 -3.542) 4.812 12.969 ( 0.691 6.674 8.458) 10.797 13.148 ( 2.718 3.766 -2.238) 5.155 13.187 ( 2.914 0.632 3.610) 4.682 13.308 ( -0.369 -0.020 -3.143) 3.165 13.409 ( -2.659 -5.852 -3.943) 7.541 13.440 ( -3.276 -4.370 -4.740) 7.232 13.952 ( 7.049 12.274 2.470) 14.368 14.002 ( 6.688 10.891 -1.618) 12.883 14.422 ( -2.106 -2.048 1.943) 3.522 14.441 ( -3.240 -7.736 0.092) 8.388 14.542 ( -5.358 -5.491 2.370) 8.029 14.620 ( -2.560 -7.208 -3.550) 8.433 15.334 ( -1.755 -1.721 12.586) 12.824 15.659 ( 0.311 -0.137 -13.509) 13.513 17.109 ( -0.365 -0.839 8.977) 9.024 17.317 ( 0.551 1.097 -7.889) 7.984 17.677 ( 3.108 6.293 1.654) 7.211 17.689 ( 5.767 6.706 1.012) 8.902 17.868 ( 3.579 7.506 -0.953) 8.370 17.902 ( 2.323 4.487 -3.743) 6.288 18.147 ( -2.200 -1.896 4.117) 5.038 18.197 ( -4.339 -3.577 0.194) 5.627 18.286 ( 1.011 -3.248 1.220) 3.614 18.331 ( -2.010 -4.433 -2.423) 5.437 18.476 ( -2.409 -5.456 1.636) 6.184 18.515 ( -3.323 -3.909 -1.511) 5.348 20.554 ( 2.411 3.315 1.056) 4.233 20.583 ( 1.121 2.881 -1.257) 3.337 20.712 ( -2.071 -2.807 0.328) 3.504 20.719 ( -1.146 -2.821 -0.244) 3.055 ======================= Grid point 171 (42/42) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 182 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( -2.335 3.770 1.265) 4.611 2.906 ( -3.713 6.375 -0.922) 7.435 2.962 ( 0.785 -0.972 4.091) 4.278 3.047 ( -1.746 2.836 -2.021) 3.896 3.177 ( -1.158 0.346 -1.225) 1.721 3.195 ( -3.870 8.921 -2.479) 10.035 3.352 ( -5.152 7.073 3.920) 9.588 3.427 ( -3.193 6.153 -2.033) 7.224 3.546 ( 10.299 -0.422 1.152) 10.372 3.570 ( -3.016 -8.667 -0.807) 9.212 3.598 ( -4.397 -12.343 1.126) 13.151 3.616 ( 11.959 -3.770 -0.288) 12.542 4.244 ( -9.242 -0.237 4.025) 10.084 4.297 ( 3.191 7.197 -0.484) 7.888 4.314 ( 6.604 5.412 0.583) 8.558 4.404 ( -4.912 -0.267 -4.612) 6.743 4.548 ( 3.730 -14.206 2.908) 14.973 4.644 ( 9.355 -14.881 -6.618) 18.782 5.018 ( 2.379 -1.408 9.003) 9.417 5.235 ( -2.870 6.078 -8.176) 10.585 5.463 ( 0.520 4.343 5.594) 7.101 5.587 ( -0.419 -6.388 2.259) 6.788 5.629 ( -1.847 -4.616 -2.926) 5.769 5.731 ( 7.635 -5.193 -4.362) 10.212 6.538 ( -2.933 3.756 2.828) 5.541 6.654 ( -3.118 5.825 -5.466) 8.575 6.847 ( -2.618 6.597 7.336) 10.208 6.980 ( -3.733 6.445 -2.998) 8.029 7.160 ( -3.754 -2.033 5.163) 6.700 7.204 ( 5.032 0.339 6.242) 8.025 7.314 ( -2.228 3.941 -2.869) 5.360 7.364 ( -0.048 -3.177 -4.302) 5.349 7.488 ( -6.310 2.209 0.705) 6.723 7.503 ( 1.484 5.314 -1.059) 5.618 7.576 ( 2.707 -1.176 0.696) 3.033 7.608 ( -1.155 0.420 -0.653) 1.392 7.631 ( 4.066 -0.184 -0.437) 4.093 7.678 ( -1.240 -4.410 -3.158) 5.564 7.893 ( -1.412 2.745 1.809) 3.577 7.968 ( -3.892 6.492 -3.918) 8.523 8.035 ( 5.937 -10.052 5.422) 12.872 8.161 ( 5.873 -10.296 -4.934) 12.839 9.453 ( 0.002 -0.261 4.408) 4.416 9.542 ( -3.837 0.559 -1.624) 4.204 9.547 ( 0.955 3.991 2.918) 5.035 9.623 ( -0.471 1.869 -2.861) 3.450 9.641 ( 3.598 -4.071 0.351) 5.445 9.672 ( 0.505 -3.428 -1.320) 3.708 10.608 ( -5.935 9.990 0.714) 11.642 10.620 ( -6.135 10.822 -0.205) 12.442 10.822 ( 3.967 -6.134 0.675) 7.336 10.846 ( 3.621 -6.925 -1.236) 7.912 11.257 ( 0.322 -0.408 2.907) 2.953 11.336 ( -0.380 0.522 -3.301) 3.364 12.074 ( -1.463 3.587 4.422) 5.879 12.096 ( -1.247 0.846 3.704) 3.999 12.157 ( -1.861 3.123 -2.677) 4.515 12.212 ( 0.188 -0.466 -4.897) 4.923 12.304 ( 3.166 -3.658 3.058) 5.724 12.388 ( 1.205 -3.731 -3.179) 5.048 13.049 ( -0.698 4.666 7.320) 8.709 13.166 ( 0.667 -4.513 4.595) 6.475 13.225 ( -2.851 2.334 4.141) 5.543 13.272 ( 1.336 0.169 -5.953) 6.104 13.334 ( 2.183 -3.742 -5.113) 6.702 13.415 ( -0.641 1.300 -8.040) 8.170 14.124 ( -3.491 6.984 1.556) 7.962 14.154 ( -4.732 6.847 -0.795) 8.361 14.313 ( 2.250 -6.054 1.744) 6.690 14.357 ( 5.159 -5.891 -1.731) 8.020 14.479 ( 1.091 -1.644 3.800) 4.282 14.561 ( 0.348 -1.360 -2.969) 3.284 15.316 ( 0.569 -0.651 13.274) 13.302 15.661 ( -0.415 0.549 -14.510) 14.526 17.101 ( 0.314 -0.600 10.038) 10.061 17.327 ( -0.271 0.531 -8.248) 8.270 17.752 ( -3.080 5.936 2.408) 7.108 17.788 ( -3.464 4.035 0.346) 5.329 17.913 ( 1.079 -1.015 -2.821) 3.186 17.930 ( 1.005 -1.626 -3.263) 3.782 18.140 ( -0.899 4.113 3.814) 5.681 18.154 ( -1.060 1.440 2.558) 3.121 18.277 ( 1.414 -2.857 -0.748) 3.275 18.288 ( 0.888 -3.460 -1.792) 3.996 18.405 ( 1.929 -3.335 2.668) 4.686 18.469 ( 1.079 -1.367 -2.318) 2.899 20.599 ( -1.794 2.649 0.697) 3.274 20.618 ( -1.206 2.552 -0.769) 2.926 20.672 ( 1.734 -2.563 0.537) 3.141 20.685 ( 1.339 -2.758 -0.496) 3.105 =================== 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 3/32670 10.0 2357.310 2357.310 607.135 -0.000 0.000 -0.000 3/32670 20.0 842.404 842.404 559.161 -0.000 0.000 -0.000 3/32670 30.0 411.656 411.656 324.903 -0.000 0.000 -0.000 3/32670 40.0 238.837 238.837 193.031 -0.000 0.000 -0.000 3/32670 50.0 151.106 151.106 123.230 -0.000 0.000 -0.000 3/32670 60.0 102.626 102.626 84.334 -0.000 0.000 -0.000 3/32670 70.0 74.132 74.132 61.267 -0.000 0.000 -0.000 3/32670 80.0 56.353 56.353 46.747 -0.000 0.000 -0.000 3/32670 90.0 44.627 44.627 37.102 -0.000 0.000 -0.000 3/32670 100.0 36.511 36.511 30.391 -0.000 0.000 -0.000 3/32670 110.0 30.658 30.658 25.533 -0.000 0.000 -0.000 3/32670 120.0 26.291 26.291 21.900 -0.000 0.000 -0.000 3/32670 130.0 22.937 22.937 19.104 -0.000 0.000 -0.000 3/32670 140.0 20.298 20.298 16.902 -0.000 0.000 -0.000 3/32670 150.0 18.178 18.178 15.131 -0.000 0.000 -0.000 3/32670 160.0 16.444 16.444 13.683 -0.000 0.000 -0.000 3/32670 170.0 15.004 15.004 12.479 -0.000 0.000 -0.000 3/32670 180.0 13.792 13.792 11.466 -0.000 0.000 -0.000 3/32670 190.0 12.759 12.759 10.603 -0.000 0.000 -0.000 3/32670 200.0 11.870 11.870 9.859 -0.000 0.000 -0.000 3/32670 210.0 11.097 11.097 9.214 -0.000 0.000 -0.000 3/32670 220.0 10.420 10.420 8.647 -0.000 0.000 -0.000 3/32670 230.0 9.821 9.821 8.148 -0.000 0.000 -0.000 3/32670 240.0 9.289 9.289 7.703 -0.000 0.000 -0.000 3/32670 250.0 8.813 8.813 7.306 -0.000 0.000 -0.000 3/32670 260.0 8.384 8.384 6.948 -0.000 0.000 -0.000 3/32670 270.0 7.996 7.996 6.625 -0.000 0.000 -0.000 3/32670 280.0 7.644 7.644 6.331 -0.000 0.000 -0.000 3/32670 290.0 7.322 7.322 6.063 -0.000 0.000 -0.000 3/32670 300.0 7.027 7.027 5.817 -0.000 0.000 -0.000 3/32670 310.0 6.756 6.756 5.591 -0.000 0.000 -0.000 3/32670 320.0 6.506 6.506 5.382 -0.000 0.000 -0.000 3/32670 330.0 6.274 6.274 5.189 -0.000 0.000 -0.000 3/32670 340.0 6.059 6.059 5.010 -0.000 0.000 -0.000 3/32670 350.0 5.858 5.858 4.843 -0.000 0.000 -0.000 3/32670 360.0 5.671 5.671 4.688 -0.000 0.000 -0.000 3/32670 370.0 5.496 5.496 4.542 -0.000 0.000 -0.000 3/32670 380.0 5.331 5.331 4.406 -0.000 0.000 -0.000 3/32670 390.0 5.177 5.177 4.277 -0.000 0.000 -0.000 3/32670 400.0 5.031 5.031 4.156 -0.000 0.000 -0.000 3/32670 410.0 4.894 4.894 4.043 -0.000 0.000 -0.000 3/32670 420.0 4.765 4.765 3.935 -0.000 0.000 -0.000 3/32670 430.0 4.642 4.642 3.833 -0.000 0.000 -0.000 3/32670 440.0 4.525 4.525 3.736 -0.000 0.000 -0.000 3/32670 450.0 4.415 4.415 3.645 -0.000 0.000 -0.000 3/32670 460.0 4.310 4.310 3.558 -0.000 0.000 -0.000 3/32670 470.0 4.210 4.210 3.475 -0.000 0.000 -0.000 3/32670 480.0 4.114 4.114 3.396 -0.000 0.000 -0.000 3/32670 490.0 4.023 4.023 3.320 -0.000 0.000 -0.000 3/32670 500.0 3.936 3.936 3.248 -0.000 0.000 -0.000 3/32670 510.0 3.853 3.853 3.179 -0.000 0.000 -0.000 3/32670 520.0 3.774 3.774 3.113 -0.000 0.000 -0.000 3/32670 530.0 3.697 3.697 3.050 -0.000 0.000 -0.000 3/32670 540.0 3.624 3.624 2.989 -0.000 0.000 -0.000 3/32670 550.0 3.554 3.554 2.931 -0.000 0.000 -0.000 3/32670 560.0 3.486 3.486 2.875 -0.000 0.000 -0.000 3/32670 570.0 3.421 3.421 2.822 -0.000 0.000 -0.000 3/32670 580.0 3.359 3.359 2.770 -0.000 0.000 -0.000 3/32670 590.0 3.299 3.299 2.720 -0.000 0.000 -0.000 3/32670 600.0 3.240 3.240 2.672 -0.000 0.000 -0.000 3/32670 610.0 3.184 3.184 2.626 -0.000 0.000 -0.000 3/32670 620.0 3.130 3.130 2.581 -0.000 0.000 -0.000 3/32670 630.0 3.078 3.078 2.538 -0.000 0.000 -0.000 3/32670 640.0 3.028 3.028 2.496 -0.000 0.000 -0.000 3/32670 650.0 2.979 2.979 2.456 -0.000 0.000 -0.000 3/32670 660.0 2.932 2.932 2.417 -0.000 0.000 -0.000 3/32670 670.0 2.886 2.886 2.379 -0.000 0.000 -0.000 3/32670 680.0 2.842 2.842 2.342 -0.000 0.000 -0.000 3/32670 690.0 2.799 2.799 2.307 -0.000 0.000 -0.000 3/32670 700.0 2.757 2.757 2.272 -0.000 0.000 -0.000 3/32670 710.0 2.717 2.717 2.239 -0.000 0.000 -0.000 3/32670 720.0 2.678 2.678 2.207 -0.000 0.000 -0.000 3/32670 730.0 2.640 2.640 2.175 -0.000 0.000 -0.000 3/32670 740.0 2.603 2.603 2.145 -0.000 0.000 -0.000 3/32670 750.0 2.567 2.567 2.115 -0.000 0.000 -0.000 3/32670 760.0 2.532 2.532 2.086 -0.000 0.000 -0.000 3/32670 770.0 2.498 2.498 2.058 -0.000 0.000 -0.000 3/32670 780.0 2.465 2.465 2.031 -0.000 0.000 -0.000 3/32670 790.0 2.432 2.432 2.004 -0.000 0.000 -0.000 3/32670 800.0 2.401 2.401 1.978 -0.000 0.000 -0.000 3/32670 810.0 2.371 2.371 1.953 -0.000 0.000 -0.000 3/32670 820.0 2.341 2.341 1.929 -0.000 0.000 -0.000 3/32670 830.0 2.312 2.312 1.905 -0.000 0.000 -0.000 3/32670 840.0 2.283 2.283 1.881 -0.000 0.000 -0.000 3/32670 850.0 2.256 2.256 1.858 -0.000 0.000 -0.000 3/32670 860.0 2.229 2.229 1.836 -0.000 0.000 -0.000 3/32670 870.0 2.203 2.203 1.815 -0.000 0.000 -0.000 3/32670 880.0 2.177 2.177 1.793 -0.000 0.000 -0.000 3/32670 890.0 2.152 2.152 1.773 -0.000 0.000 -0.000 3/32670 900.0 2.127 2.127 1.752 -0.000 0.000 -0.000 3/32670 910.0 2.103 2.103 1.733 -0.000 0.000 -0.000 3/32670 920.0 2.080 2.080 1.713 -0.000 0.000 -0.000 3/32670 930.0 2.057 2.057 1.695 -0.000 0.000 -0.000 3/32670 940.0 2.035 2.035 1.676 -0.000 0.000 -0.000 3/32670 950.0 2.013 2.013 1.658 -0.000 0.000 -0.000 3/32670 960.0 1.992 1.992 1.640 -0.000 0.000 -0.000 3/32670 970.0 1.971 1.971 1.623 -0.000 0.000 -0.000 3/32670 980.0 1.950 1.950 1.606 -0.000 0.000 -0.000 3/32670 990.0 1.930 1.930 1.590 -0.000 0.000 -0.000 3/32670 1000.0 1.910 1.910 1.573 -0.000 0.000 -0.000 3/32670 Thermal conductivity related properties were written into "kappa-m11113.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:34:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|